#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 -0.72 -0.04 1.61 1.04 -1.26 -5.17 113.70 109.16 2yuk s SER 2 Ca 0.00 1.31 -0.13 0.00 0.48 0.00 0.00 55.95 57.61 2yuk s SER 2 Cb 0.00 1.27 0.02 0.00 0.10 0.00 0.00 66.02 67.42 2yuk s SER 2 CO 0.00 -0.22 0.28 -0.94 0.98 0.00 0.00 173.24 173.34 2yuk s SER 3 N 0.77 -0.20 -0.39 7.02 1.04 -1.26 -5.10 113.70 115.59 2yuk s SER 3 Ca -0.03 0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.59 2yuk s SER 3 Cb -0.05 0.38 0.26 0.00 0.10 0.00 0.00 66.02 66.72 2yuk s SER 3 CO -0.06 -0.34 1.11 0.61 0.98 0.00 0.00 173.24 175.54 2yuk n GLY 4 N 1.75 -1.09 3.18 7.32 0.00 -1.26 -5.16 105.19 109.92 2yuk n GLY 4 Ca -0.19 0.68 -0.16 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.80 1.53 -0.35 1.61 1.04 -1.26 -5.12 113.70 110.35 2yuk s SER 5 Ca 0.28 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2yuk s SER 5 Cb 0.22 -0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.44 2yuk s SER 5 CO -0.14 -0.20 0.15 -0.94 0.98 0.00 0.00 173.24 173.08 2yuk s SER 6 N -2.23 3.84 0.48 7.02 1.04 -1.26 -5.12 113.70 117.47 2yuk s SER 6 Ca 0.03 -1.99 0.00 0.00 0.48 0.00 0.00 55.95 54.47 2yuk s SER 6 Cb -0.05 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.18 2yuk s SER 6 CO 0.01 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2yuk n GLY 7 N 4.37 -1.09 3.63 7.32 0.00 -1.26 -5.03 105.19 113.14 2yuk n GLY 7 Ca 0.02 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 2yuk n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yuk s ASN 8 N -1.06 6.04 -0.21 1.61 -0.87 -1.26 -4.98 114.94 114.21 2yuk s ASN 8 Ca 0.00 0.07 -0.01 0.00 -1.57 0.00 0.00 52.86 51.35 2yuk s ASN 8 Cb 0.00 -2.10 0.11 0.00 -0.02 0.00 0.00 41.25 39.24 2yuk s ASN 8 CO 0.00 0.04 2.17 0.00 -2.57 0.00 0.00 177.10 176.73 2yuk n ALA 9 N 4.47 4.94 -2.32 0.60 0.00 -1.26 -4.93 120.51 122.01 2yuk n ALA 9 Ca -0.15 -1.25 -0.42 0.00 0.00 0.00 0.00 53.44 51.62 2yuk n ALA 9 Cb 0.52 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 2yuk n ALA 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2yuk s GLN 10 N -1.08 4.38 -0.10 0.00 2.00 -1.26 -5.00 119.66 118.60 2yuk s GLN 10 Ca 0.25 1.88 -0.21 0.00 -2.00 0.00 0.00 55.36 55.28 2yuk s GLN 10 Cb 0.18 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.62 2yuk s GLN 10 CO -0.02 -0.35 0.62 0.50 -0.50 0.00 0.00 175.29 175.55 2yuk s ARG 11 N 1.21 4.38 0.13 1.67 3.52 -1.26 -5.04 118.95 123.55 2yuk s ARG 11 Ca 0.61 0.71 -0.24 0.00 -0.13 0.00 0.00 55.73 56.68 2yuk s ARG 11 Cb -0.32 -3.46 0.07 0.00 -1.56 0.00 0.00 34.95 29.68 2yuk s ARG 11 CO 0.29 0.05 0.71 -1.12 -0.81 0.00 0.00 175.30 174.42 2yuk s SER 12 N 0.80 -0.46 -0.13 -2.12 0.01 -1.26 -5.07 113.70 105.47 2yuk s SER 12 Ca 0.33 -0.08 -0.03 0.00 1.31 0.00 0.00 55.95 57.47 2yuk s SER 12 Cb -0.17 0.55 -0.25 0.00 0.21 0.00 0.00 66.02 66.37 2yuk s SER 12 CO 0.15 -0.91 0.31 0.35 0.41 0.00 0.00 173.24 173.55 2yuk n THR 13 N -0.36 1.73 -0.50 1.44 -2.24 -1.26 -4.09 114.28 109.01 2yuk n THR 13 Ca -0.13 -0.66 0.43 0.00 -2.27 0.00 0.00 64.05 61.42 2yuk n THR 13 Cb 0.63 -1.61 0.74 0.00 -2.10 0.00 0.00 70.33 67.99 2yuk n THR 13 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2yuk h LEU 14 N 0.06 0.00 0.00 3.22 3.38 -2.02 0.38 115.31 120.33 2yuk h LEU 14 Ca -0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2yuk h LEU 14 Cb 2.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 2yuk h LEU 14 CO 0.06 0.00 -0.08 0.50 0.09 0.00 0.00 178.44 179.01 2yuk h LYS 15 N 0.00 0.00 -0.91 1.13 3.64 -2.01 -3.35 116.57 115.08 2yuk h LYS 15 Ca 0.74 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 60.36 2yuk h LYS 15 Cb 3.16 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 34.82 2yuk h LYS 15 CO -0.01 0.93 0.07 -1.49 -2.27 0.00 0.00 179.45 176.69 2yuk h TRP 16 N -1.00 0.05 -0.98 1.91 4.06 -0.41 0.84 115.95 120.42 2yuk h TRP 16 Ca -0.02 0.06 0.21 0.00 2.06 0.00 0.00 58.89 61.20 2yuk h TRP 16 Cb 0.96 0.12 -0.09 0.00 -1.00 0.00 0.00 29.16 29.15 2yuk h TRP 16 CO 0.25 -0.34 0.62 1.49 -3.56 0.00 0.00 178.44 176.90 2yuk h GLU 17 N 0.08 0.58 -0.05 0.49 4.22 -1.58 0.31 114.58 118.63 2yuk h GLU 17 Ca 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.94 2yuk h GLU 17 Cb 1.09 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 2yuk h GLU 17 CO -0.80 0.39 -0.01 0.87 -2.18 0.00 0.00 179.01 177.28 2yuk h LYS 18 N 0.60 0.09 0.00 1.92 1.57 0.55 -2.95 116.57 118.35 2yuk h LYS 18 Ca 0.55 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.27 2yuk h LYS 18 Cb 1.08 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 2yuk h LYS 18 CO -0.31 0.43 -0.15 0.93 -0.57 0.00 0.00 179.45 179.78 2yuk h GLU 19 N -0.26 0.00 0.00 3.15 4.39 -0.83 -2.38 114.58 118.64 2yuk h GLU 19 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2yuk h GLU 19 Cb 0.40 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2yuk h GLU 19 CO 0.00 0.15 -0.04 0.93 -1.16 0.00 0.00 179.01 178.89 2yuk h GLU 20 N 0.00 0.00 0.00 2.33 4.39 -0.27 -1.01 114.58 120.02 2yuk h GLU 20 Ca -0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 2yuk h GLU 20 Cb 0.44 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 2yuk h GLU 20 CO 0.02 0.04 -0.65 0.00 -1.16 0.00 0.00 179.01 177.26 2yuk h ALA 21 N 1.96 0.58 0.00 3.43 0.00 -1.46 -3.18 119.26 120.59 2yuk h ALA 21 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2yuk h ALA 21 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2yuk h ALA 21 CO 0.01 0.80 0.00 -0.07 0.00 0.00 0.00 179.25 179.99 2yuk h LEU 22 N 0.00 0.00 0.00 0.00 3.38 -1.26 -3.48 115.31 113.95 2yuk h LEU 22 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2yuk h LEU 22 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2yuk h LEU 22 CO 0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.22 2yuk n GLY 23 N 1.21 2.14 0.31 0.83 0.00 -0.95 -0.19 105.19 108.54 2yuk n GLY 23 Ca 0.05 0.40 0.21 0.00 0.00 0.00 0.00 46.02 46.67 2yuk n GLY 23 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2yuk h GLU 24 N 0.00 0.00 -0.57 1.61 5.08 -1.90 0.21 114.58 119.02 2yuk h GLU 24 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2yuk h GLU 24 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2yuk h GLU 24 CO 0.00 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.68 2yuk n MET 25 N -2.94 2.56 -1.68 2.33 2.81 0.74 -4.95 117.12 115.99 2yuk n MET 25 Ca -0.03 -1.96 -0.45 0.00 -1.81 0.00 0.00 57.70 53.45 2yuk n MET 25 Cb 0.07 -1.55 -0.04 0.00 -0.71 0.00 0.00 33.22 30.99 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 0.90 1.61 0.52 3.04 0.00 0.73 -4.84 120.51 122.46 2yuk n ALA 26 Ca 0.18 0.37 -0.03 0.00 0.00 0.00 0.00 53.44 53.96 2yuk n ALA 26 Cb 0.55 -2.46 0.06 0.00 0.00 0.00 0.00 19.45 17.60 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 4.20 1.15 -4.20 0.00 -2.24 -1.26 -4.45 114.28 107.48 2yuk n THR 27 Ca 0.18 -0.39 -0.15 0.00 -2.27 0.00 0.00 64.05 61.43 2yuk n THR 27 Cb 0.32 -0.71 -0.11 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.01 1.02 -0.03 2.28 1.01 -1.26 -4.65 120.40 117.76 2yuk s VAL 28 Ca 0.13 -1.73 -0.20 0.00 0.00 0.00 0.00 61.98 60.18 2yuk s VAL 28 Cb 0.10 -1.47 -0.12 0.00 0.00 0.00 0.00 36.38 34.89 2yuk s VAL 28 CO 0.03 -0.58 0.84 0.00 0.00 0.00 0.00 175.10 175.39 2yuk h ALA 29 N 3.41 -0.49 0.06 5.51 0.00 -1.88 -2.92 119.26 122.94 2yuk h ALA 29 Ca -0.37 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2yuk h ALA 29 Cb 1.19 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2yuk h ALA 29 CO 0.55 -0.51 -0.03 -1.00 0.00 0.00 0.00 179.25 178.26 2yuk h PRO 30 N -1.03 -0.08 0.00 0.00 0.13 -1.93 -1.66 132.00 127.43 2yuk h PRO 30 Ca -0.05 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2yuk h PRO 30 Cb 0.50 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2yuk h PRO 30 CO 0.08 0.38 0.12 0.28 -0.23 0.00 0.00 178.00 178.63 2yuk h VAL 31 N -0.57 0.00 0.00 1.56 2.07 -1.92 -2.18 116.25 115.21 2yuk h VAL 31 Ca -0.01 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.20 2yuk h VAL 31 Cb 0.49 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 2yuk h VAL 31 CO 0.01 0.00 -1.73 -0.11 0.02 0.00 0.00 177.57 175.77 2yuk n LEU 32 N -2.26 1.90 -0.16 2.57 7.94 -1.10 -3.58 117.00 122.30 2yuk n LEU 32 Ca -0.01 0.40 -0.06 0.00 -1.11 0.00 0.00 56.01 55.23 2yuk n LEU 32 Cb 0.15 -0.90 0.00 0.00 0.53 0.00 0.00 43.42 43.21 2yuk n LEU 32 CO 0.09 0.34 0.65 0.22 -1.11 0.00 0.00 177.39 177.59 2yuk h TYR 33 N -1.00 -0.82 0.30 1.96 5.03 -0.68 -1.82 116.97 119.95 2yuk h TYR 33 Ca -0.46 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 60.89 2yuk h TYR 33 Cb 1.38 0.43 0.00 0.00 1.55 0.00 0.00 36.73 40.10 2yuk h TYR 33 CO -0.01 -0.36 -0.14 1.79 -1.32 0.00 0.00 178.16 178.12 2yuk h THR 34 N -0.18 0.72 -1.06 1.81 1.35 -1.70 0.44 112.91 114.30 2yuk h THR 34 Ca 0.21 -0.15 0.40 0.00 -0.55 0.00 0.00 66.41 66.33 2yuk h THR 34 Cb 0.53 0.81 -0.16 0.00 -1.73 0.00 0.00 68.15 67.59 2yuk h THR 34 CO -0.60 0.03 0.61 0.78 -0.25 0.00 0.00 175.52 176.09 2yuk h ASN 35 N -0.48 0.36 0.00 5.36 2.35 -1.43 1.17 115.58 122.90 2yuk h ASN 35 Ca -0.04 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2yuk h ASN 35 Cb 0.36 0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2yuk h ASN 35 CO 0.07 -0.32 -0.24 0.40 -1.65 0.00 0.00 177.43 175.69 2yuk h ILE 36 N 0.10 0.00 -0.29 2.81 2.04 -1.03 -3.35 117.51 117.78 2yuk h ILE 36 Ca 0.82 -0.52 0.07 0.00 1.00 0.00 0.00 64.86 66.23 2yuk h ILE 36 Cb 2.17 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.17 2yuk h ILE 36 CO -0.67 0.00 -0.32 0.78 0.00 0.00 0.00 178.15 177.95 2yuk h ASN 37 N -0.52 -1.02 -3.86 1.72 2.35 0.20 -3.25 115.58 111.20 2yuk h ASN 37 Ca 0.00 0.17 -0.74 0.00 -0.55 0.00 0.00 56.30 55.18 2yuk h ASN 37 Cb 0.24 0.46 -0.31 0.00 0.05 0.00 0.00 38.32 38.76 2yuk h ASN 37 CO 0.00 -0.33 -0.07 -0.36 -1.65 0.00 0.00 177.43 175.02 2yuk s PHE 38 N -6.01 3.70 0.05 1.19 0.40 0.40 -4.90 117.98 112.81 2yuk s PHE 38 Ca -0.15 -2.51 -0.19 0.00 -0.60 0.00 0.00 56.93 53.48 2yuk s PHE 38 Cb 0.12 -3.49 -0.13 0.00 0.51 0.00 0.00 43.02 40.03 2yuk s PHE 38 CO 0.67 -0.89 1.36 -1.00 0.70 0.00 0.00 175.22 176.07 2yuk h PRO 39 N 7.08 0.44 -0.02 0.24 0.13 -1.67 -2.94 132.00 135.26 2yuk h PRO 39 Ca 0.08 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2yuk h PRO 39 Cb 0.95 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2yuk h PRO 39 CO 0.78 0.80 0.00 0.09 -0.23 0.00 0.00 178.00 179.44 2yuk n ASN 40 N -4.49 0.13 -0.41 1.44 3.02 -1.26 -4.31 115.26 109.39 2yuk n ASN 40 Ca -0.06 -1.89 -0.09 0.00 -0.03 0.00 0.00 54.58 52.51 2yuk n ASN 40 Cb 0.39 -0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.47 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 0.15 -2.05 -0.99 3.41 5.85 -1.87 0.54 115.31 120.35 2yuk h LEU 41 Ca 0.00 0.33 0.33 0.00 0.84 0.00 0.00 57.88 59.37 2yuk h LEU 41 Cb 0.03 0.92 -0.18 0.00 0.37 0.00 0.00 40.66 41.81 2yuk h LEU 41 CO 0.00 -0.24 0.24 0.07 -0.34 0.00 0.00 178.44 178.17 2yuk h LYS 42 N -0.01 0.02 0.78 1.25 2.10 -1.78 0.30 116.57 119.22 2yuk h LYS 42 Ca 0.19 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.80 2yuk h LYS 42 Cb 0.44 -0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2yuk h LYS 42 CO -0.94 0.01 -0.37 0.93 -2.00 0.00 0.00 179.45 177.07 2yuk h GLU 43 N 0.02 -1.01 -0.90 0.07 5.08 -0.24 -1.22 114.58 116.37 2yuk h GLU 43 Ca 0.70 0.07 0.25 0.00 -1.00 0.00 0.00 59.36 59.38 2yuk h GLU 43 Cb 1.63 0.23 -0.15 0.00 0.50 0.00 0.00 28.75 30.96 2yuk h GLU 43 CO -0.86 -0.67 0.27 0.93 -1.00 0.00 0.00 179.01 177.68 2yuk h GLU 44 N -1.07 0.20 -2.97 2.33 5.08 -0.62 -3.28 114.58 114.25 2yuk h GLU 44 Ca -0.11 -0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.66 2yuk h GLU 44 Cb 0.80 -0.04 -0.40 0.00 0.50 0.00 0.00 28.75 29.61 2yuk h GLU 44 CO 0.18 0.13 -0.78 -0.06 -1.00 0.00 0.00 179.01 177.47 2yuk s PHE 45 N -5.90 1.29 -0.00 4.33 0.40 -0.44 -5.00 117.98 112.65 2yuk s PHE 45 Ca -0.12 -1.79 -0.24 0.00 -0.60 0.00 0.00 56.93 54.18 2yuk s PHE 45 Cb 0.27 -1.41 -0.18 0.00 0.51 0.00 0.00 43.02 42.21 2yuk s PHE 45 CO 0.77 -0.83 1.29 -1.00 0.70 0.00 0.00 175.22 176.16 2yuk h PRO 46 N 7.38 0.11 -6.11 0.24 0.13 -1.29 -3.40 132.00 129.06 2yuk h PRO 46 Ca -0.05 -0.06 -0.57 0.00 -0.87 0.00 0.00 66.00 64.46 2yuk h PRO 46 Cb 0.97 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 2yuk h PRO 46 CO 0.40 0.57 1.37 -0.51 -0.23 0.00 0.00 178.00 179.61 2yuk s ASP 47 N -5.83 5.60 0.11 1.44 1.11 -1.26 -4.86 116.67 112.98 2yuk s ASP 47 Ca -0.15 1.39 -0.26 0.00 0.18 0.00 0.00 52.55 53.71 2yuk s ASP 47 Cb 0.03 -2.52 -0.08 0.00 1.07 0.00 0.00 42.92 41.42 2yuk s ASP 47 CO 0.70 -1.92 1.44 -0.25 1.18 0.00 0.00 175.17 176.32 2yuk h TRP 48 N 14.20 -1.44 -1.01 4.23 -0.00 -1.98 0.83 115.95 130.79 2yuk h TRP 48 Ca -0.35 0.08 0.29 0.00 -0.00 0.00 0.00 58.89 58.92 2yuk h TRP 48 Cb 1.20 0.70 -0.04 0.00 -0.00 0.00 0.00 29.16 31.01 2yuk h TRP 48 CO 0.96 -0.36 1.16 1.15 -0.00 0.00 0.00 178.44 181.35 2yuk h THR 49 N -0.20 0.03 0.04 2.65 2.02 -1.97 0.96 112.91 116.45 2yuk h THR 49 Ca 0.08 0.00 -0.38 0.00 0.77 0.00 0.00 66.41 66.89 2yuk h THR 49 Cb 0.43 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 2yuk h THR 49 CO -0.59 0.00 -2.27 0.41 0.37 0.00 0.00 175.52 173.44 2yuk n THR 50 N -3.31 1.59 0.06 3.16 -1.04 0.25 -4.35 114.28 110.65 2yuk n THR 50 Ca 0.23 -0.63 -0.13 0.00 -2.04 0.00 0.00 64.05 61.48 2yuk n THR 50 Cb 1.47 -1.45 -0.09 0.00 -1.82 0.00 0.00 70.33 68.45 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 0.03 -0.16 -0.99 -2.82 2.43 0.48 -3.20 114.38 110.15 2yuk h ARG 51 Ca -0.51 0.01 0.20 0.00 -0.81 0.00 0.00 59.98 58.87 2yuk h ARG 51 Cb 1.98 0.04 -0.19 0.00 -0.42 0.00 0.00 29.97 31.38 2yuk h ARG 51 CO -0.01 0.17 -0.25 1.55 -1.51 0.00 0.00 179.97 179.92 2yuk n VAL 52 N -5.01 -0.42 -0.17 0.20 3.14 0.98 0.49 118.33 117.56 2yuk n VAL 52 Ca -0.09 2.26 -0.02 0.00 -2.96 0.00 0.00 64.34 63.53 2yuk n VAL 52 Cb 0.22 -3.12 0.06 0.00 -1.06 0.00 0.00 33.84 29.93 2yuk n VAL 52 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2yuk h LYS 53 N 0.00 0.07 0.01 1.45 1.57 -1.75 -2.22 116.57 115.70 2yuk h LYS 53 Ca 0.47 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.27 2yuk h LYS 53 Cb 0.72 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 2yuk h LYS 53 CO -1.01 0.05 -0.43 1.96 -0.57 0.00 0.00 179.45 179.45 2yuk h GLN 54 N 0.07 -0.57 -1.29 3.15 1.08 -0.01 -0.28 115.11 117.27 2yuk h GLN 54 Ca 0.26 0.04 0.39 0.00 -1.45 0.00 0.00 58.65 57.89 2yuk h GLN 54 Cb 0.40 0.13 -0.10 0.00 -0.05 0.00 0.00 27.48 27.85 2yuk h GLN 54 CO -0.47 -0.38 0.85 0.82 -0.95 0.00 0.00 178.83 178.70 2yuk h ILE 55 N -0.59 0.25 0.31 2.54 2.04 -1.07 0.21 117.51 121.21 2yuk h ILE 55 Ca 0.04 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2yuk h ILE 55 Cb 0.66 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2yuk h ILE 55 CO -0.31 0.03 -0.15 0.00 0.00 0.00 0.00 178.15 177.71 2yuk h ALA 56 N 1.53 -0.42 -0.07 1.87 0.00 -0.80 -0.61 119.26 120.76 2yuk h ALA 56 Ca 0.74 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 2yuk h ALA 56 Cb 2.35 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 20.30 2yuk h ALA 56 CO -0.30 -0.59 0.03 1.57 0.00 0.00 0.00 179.25 179.96 2yuk h LYS 57 N -0.71 0.10 -0.57 0.00 2.10 -0.42 -0.57 116.57 116.51 2yuk h LYS 57 Ca -0.04 -0.02 0.06 0.00 -2.00 0.00 0.00 60.65 58.65 2yuk h LYS 57 Cb 0.49 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.77 2yuk h LYS 57 CO 0.07 0.21 0.38 -0.07 -2.00 0.00 0.00 179.45 178.04 2yuk h LEU 58 N -0.02 0.48 0.04 7.07 3.38 -0.78 0.12 115.31 125.61 2yuk h LEU 58 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2yuk h LEU 58 Cb 0.14 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2yuk h LEU 58 CO -0.00 0.32 -0.02 -0.25 0.09 0.00 0.00 178.44 178.57 2yuk h TRP 59 N 0.55 -0.05 -0.67 1.13 2.91 -0.75 -3.17 115.95 115.89 2yuk h TRP 59 Ca 0.25 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.27 2yuk h TRP 59 Cb 0.27 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.90 2yuk h TRP 59 CO -0.00 0.50 0.43 0.00 -1.03 0.00 0.00 178.44 178.35 2yuk h ARG 60 N -0.65 0.89 -0.83 2.65 3.08 -0.72 -2.52 114.38 116.28 2yuk h ARG 60 Ca -0.01 -0.06 0.18 0.00 0.07 0.00 0.00 59.98 60.17 2yuk h ARG 60 Cb 0.58 -0.20 -0.11 0.00 0.08 0.00 0.00 29.97 30.32 2yuk h ARG 60 CO 0.01 0.61 0.33 -0.22 -1.07 0.00 0.00 179.97 179.62 2yuk h LYS 61 N 0.91 0.39 -7.08 0.04 3.64 -0.83 -3.41 116.57 110.22 2yuk h LYS 61 Ca 0.25 -0.02 -0.55 0.00 -1.27 0.00 0.00 60.65 59.06 2yuk h LYS 61 Cb -0.08 -0.09 0.14 0.00 -0.41 0.00 0.00 32.23 31.78 2yuk h LYS 61 CO -0.05 0.26 0.53 0.00 -2.27 0.00 0.00 179.45 177.91 2yuk s ALA 62 N -5.96 2.58 0.40 5.00 0.00 -0.95 -4.99 121.76 117.84 2yuk s ALA 62 Ca -0.12 1.18 -0.19 0.00 0.00 0.00 0.00 51.96 52.83 2yuk s ALA 62 Cb 0.23 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 2yuk s ALA 62 CO 0.77 -1.37 0.89 -1.54 0.00 0.00 0.00 175.76 174.50 2yuk s SER 63 N -1.32 6.87 0.26 0.00 1.04 -1.26 -4.90 113.70 114.39 2yuk s SER 63 Ca 0.77 1.56 -0.02 0.00 0.48 0.00 0.00 55.95 58.74 2yuk s SER 63 Cb -0.36 -2.49 0.56 0.00 0.10 0.00 0.00 66.02 63.83 2yuk s SER 63 CO 0.40 -0.33 1.69 0.28 0.98 0.00 0.00 173.24 176.26 2yuk h SER 64 N 1.94 0.14 0.02 7.02 0.02 -1.94 0.78 113.55 121.53 2yuk h SER 64 Ca -0.49 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2yuk h SER 64 Cb 1.18 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.89 2yuk h SER 64 CO 0.62 -0.02 -0.00 1.56 -1.14 0.00 0.00 176.83 177.85 2yuk h GLN 65 N 0.33 0.00 0.11 3.45 7.50 -2.00 -0.16 115.11 124.34 2yuk h GLN 65 Ca 0.47 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 59.34 2yuk h GLN 65 Cb 0.83 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.36 2yuk h GLN 65 CO -0.52 0.00 -1.37 1.49 -1.50 0.00 0.00 178.83 176.94 2yuk h GLU 66 N 0.00 0.24 0.00 1.46 4.81 0.18 -3.28 114.58 117.99 2yuk h GLU 66 Ca -0.00 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2yuk h GLU 66 Cb 0.01 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2yuk h GLU 66 CO 0.00 1.14 0.00 0.00 -0.73 0.00 0.00 179.01 179.42 2yuk h ARG 67 N 0.06 0.00 -0.73 1.92 3.08 -0.39 -3.36 114.38 114.96 2yuk h ARG 67 Ca -0.18 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.96 2yuk h ARG 67 Cb 1.98 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.93 2yuk h ARG 67 CO 0.18 0.00 -0.37 0.00 -1.07 0.00 0.00 179.97 178.70 2yuk n ALA 68 N -2.03 -0.32 0.02 0.04 0.00 -0.18 0.17 120.51 118.21 2yuk n ALA 68 Ca 0.04 0.67 -0.13 0.00 0.00 0.00 0.00 53.44 54.02 2yuk n ALA 68 Cb 0.50 -0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.09 0.00 0.00 0.13 -1.82 -2.79 132.00 127.43 2yuk h PRO 69 Ca 0.17 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2yuk h PRO 69 Cb 0.36 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2yuk h PRO 69 CO -0.71 0.37 0.02 1.88 -0.23 0.00 0.00 178.00 179.33 2yuk h TYR 70 N -0.58 0.00 0.20 1.56 0.05 -1.25 0.13 116.97 117.09 2yuk h TYR 70 Ca -0.01 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.42 2yuk h TYR 70 Cb 0.50 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.25 2yuk h TYR 70 CO 0.08 0.00 -1.70 0.28 -1.05 0.00 0.00 178.16 175.78 2yuk h VAL 71 N 0.00 1.01 0.08 -2.88 2.07 0.18 -3.29 116.25 113.42 2yuk h VAL 71 Ca 0.00 -2.56 -0.11 0.00 0.82 0.00 0.00 66.70 64.85 2yuk h VAL 71 Cb 0.04 2.82 0.01 0.00 -1.52 0.00 0.00 31.29 32.64 2yuk h VAL 71 CO 0.00 0.85 -0.49 -0.61 0.02 0.00 0.00 177.57 177.34 2yuk h GLN 72 N 0.12 0.20 -0.60 1.57 5.75 -0.97 -3.33 115.11 117.85 2yuk h GLN 72 Ca -0.33 -0.32 0.12 0.00 -0.15 0.00 0.00 58.65 57.98 2yuk h GLN 72 Cb 2.12 0.11 -0.12 0.00 1.07 0.00 0.00 27.48 30.66 2yuk h GLN 72 CO 0.20 1.13 -0.17 -0.22 -2.65 0.00 0.00 178.83 177.12 2yuk h LYS 73 N -0.56 -0.02 -0.92 1.69 3.64 -0.97 0.16 116.57 119.59 2yuk h LYS 73 Ca -0.08 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.49 2yuk h LYS 73 Cb 1.36 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.08 2yuk h LYS 73 CO 0.09 -0.01 0.49 0.00 -2.27 0.00 0.00 179.45 177.75 2yuk h ALA 74 N 1.55 1.48 -0.33 5.00 0.00 -1.68 0.16 119.26 125.43 2yuk h ALA 74 Ca 0.29 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 2yuk h ALA 74 Cb 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2yuk h ALA 74 CO -0.63 -0.16 -0.06 0.00 0.00 0.00 0.00 179.25 178.39 2yuk h ARG 75 N 0.60 0.63 -0.62 0.00 3.08 -0.84 -3.02 114.38 114.20 2yuk h ARG 75 Ca 0.54 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.32 2yuk h ARG 75 Cb 0.89 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 2yuk h ARG 75 CO -0.42 0.79 0.22 0.22 -1.07 0.00 0.00 179.97 179.71 2yuk h ASP 76 N 0.41 0.86 -0.71 7.04 1.82 0.06 -2.38 116.42 123.52 2yuk h ASP 76 Ca 0.09 -0.13 0.10 0.00 -0.39 0.00 0.00 57.03 56.70 2yuk h ASP 76 Cb 0.55 -0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.29 2yuk h ASP 76 CO 0.03 0.79 0.47 0.78 -1.61 0.00 0.00 179.24 179.69 2yuk h ASN 77 N 0.91 0.51 -0.06 2.28 2.35 -0.64 0.13 115.58 121.05 2yuk h ASN 77 Ca 0.21 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 2yuk h ASN 77 Cb 0.22 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2yuk h ASN 77 CO -0.01 0.30 -0.11 0.03 -1.65 0.00 0.00 177.43 175.99 2yuk h ARG 78 N 0.56 0.36 -0.25 0.81 3.08 -1.38 -2.87 114.38 114.69 2yuk h ARG 78 Ca 0.33 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 2yuk h ARG 78 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 2yuk h ARG 78 CO -0.11 0.47 -0.11 0.00 -1.07 0.00 0.00 179.97 179.15 2yuk h ALA 79 N 1.56 0.35 -0.70 0.04 0.00 -1.00 -3.15 119.26 116.36 2yuk h ALA 79 Ca 0.07 -0.30 0.12 0.00 0.00 0.00 0.00 54.91 54.80 2yuk h ALA 79 Cb 0.40 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 2yuk h ALA 79 CO 0.02 0.20 0.27 0.00 0.00 0.00 0.00 179.25 179.74 2yuk h ALA 80 N 0.73 0.96 -0.15 0.00 0.00 -1.27 -2.29 119.26 117.24 2yuk h ALA 80 Ca 0.06 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2yuk h ALA 80 Cb 0.61 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 2yuk h ALA 80 CO 0.03 -0.19 -0.40 -0.07 0.00 0.00 0.00 179.25 178.62 2yuk h LEU 81 N 0.44 -1.27 -1.83 0.00 3.38 -1.49 0.22 115.31 114.76 2yuk h LEU 81 Ca 0.37 0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.69 2yuk h LEU 81 Cb 0.53 0.52 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2yuk h LEU 81 CO -0.37 -0.41 0.62 0.03 0.09 0.00 0.00 178.44 178.40 2yuk h ARG 82 N -0.47 0.00 0.27 1.13 3.08 -1.45 -0.66 114.38 116.28 2yuk h ARG 82 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2yuk h ARG 82 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2yuk h ARG 82 CO -0.40 0.00 -0.13 0.82 -1.07 0.00 0.00 179.97 179.19 2yuk h ILE 83 N 0.00 0.78 -1.20 2.04 1.08 -0.40 -3.42 117.51 116.38 2yuk h ILE 83 Ca 0.29 -0.58 -0.48 0.00 -0.39 0.00 0.00 64.86 63.70 2yuk h ILE 83 Cb 1.54 1.09 0.05 0.00 -3.07 0.00 0.00 36.82 36.42 2yuk h ILE 83 CO -0.00 0.12 -0.04 0.20 -0.69 0.00 0.00 178.15 177.74 2yuk s ASN 84 N -5.12 4.87 -1.53 1.72 0.01 -0.26 -4.52 114.94 110.11 2yuk s ASN 84 Ca -0.14 -0.70 -0.09 0.00 -0.71 0.00 0.00 52.86 51.22 2yuk s ASN 84 Cb 0.02 0.20 0.09 0.00 0.41 0.00 0.00 41.25 41.97 2yuk s ASN 84 CO 0.57 -1.50 0.22 0.29 -1.51 0.00 0.00 177.10 175.16 2yuk n LYS 85 N -2.42 -0.86 -4.08 -0.60 4.01 -1.26 -4.86 118.16 108.08 2yuk n LYS 85 Ca 0.15 0.10 -0.32 0.00 -0.51 0.00 0.00 58.31 57.74 2yuk n LYS 85 Cb 0.61 -3.66 -0.07 0.00 -0.51 0.00 0.00 35.03 31.41 2yuk n LYS 85 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2yuk s VAL 86 N -3.78 4.67 0.06 -0.18 0.11 -1.26 -4.98 120.40 115.05 2yuk s VAL 86 Ca 0.30 -0.54 -0.19 0.00 -2.93 0.00 0.00 61.98 58.62 2yuk s VAL 86 Cb -0.18 -3.18 -0.07 0.00 -1.53 0.00 0.00 36.38 31.43 2yuk s VAL 86 CO 0.92 0.26 0.56 0.00 -3.33 0.00 0.00 175.10 173.51 2yuk s GLN 87 N -2.00 4.18 0.45 1.54 -2.07 -1.26 -5.06 119.66 115.45 2yuk s GLN 87 Ca 0.26 0.71 -0.22 0.00 -1.82 0.00 0.00 55.36 54.29 2yuk s GLN 87 Cb -0.12 -3.24 -0.08 0.00 -1.09 0.00 0.00 33.01 28.48 2yuk s GLN 87 CO 0.17 0.63 1.09 0.00 -1.32 0.00 0.00 175.29 175.87 2yuk s MET 88 N -1.07 3.87 0.15 9.60 0.23 -1.26 -5.05 119.30 125.75 2yuk s MET 88 Ca 0.29 1.57 -0.13 0.00 -1.03 0.00 0.00 55.69 56.38 2yuk s MET 88 Cb -0.19 -2.34 0.01 0.00 -1.53 0.00 0.00 34.83 30.79 2yuk s MET 88 CO 0.18 -0.41 0.36 0.45 -2.03 0.00 0.00 175.02 173.57 2yuk s SER 89 N -1.62 -0.09 0.00 -1.18 0.15 -1.26 -5.34 113.70 104.35 2yuk s SER 89 Ca 0.63 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2yuk s SER 89 Cb -0.23 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2yuk s SER 89 CO 0.28 -0.89 0.07 -3.20 1.20 0.00 0.00 173.24 170.69