#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 6.49 0.29 1.61 0.01 -1.26 -4.89 113.70 115.96 2yuk s SER 2 Ca 0.00 -1.68 -0.15 0.00 1.31 0.00 0.00 55.95 55.43 2yuk s SER 2 Cb 0.00 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2yuk s SER 2 CO 0.00 -1.51 0.62 -0.94 0.41 0.00 0.00 173.24 171.82 2yuk s SER 3 N 4.97 -0.03 0.00 2.44 1.04 -1.26 -5.15 113.70 115.70 2yuk s SER 3 Ca 0.50 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2yuk s SER 3 Cb 0.01 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.82 2yuk s SER 3 CO -0.04 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.46 2yuk n GLY 4 N -0.45 3.13 3.30 7.32 0.00 -1.26 -5.17 105.19 112.05 2yuk n GLY 4 Ca -0.03 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 2yuk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yuk s SER 5 N 0.00 2.60 -0.13 1.61 0.15 -1.26 -5.07 113.70 111.61 2yuk s SER 5 Ca 0.00 -0.71 -0.21 0.00 0.70 0.00 0.00 55.95 55.73 2yuk s SER 5 Cb 0.00 -0.15 -0.19 0.00 -1.71 0.00 0.00 66.02 63.98 2yuk s SER 5 CO 0.00 0.05 0.57 0.28 1.20 0.00 0.00 173.24 175.34 2yuk h SER 6 N 3.95 -0.00 0.00 5.45 0.02 -2.03 -3.50 113.55 117.44 2yuk h SER 6 Ca -0.46 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 59.78 2yuk h SER 6 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2yuk h SER 6 CO 0.41 0.84 0.00 0.61 -1.14 0.00 0.00 176.83 177.56 2yuk n GLY 7 N 1.61 3.02 3.62 -3.77 0.00 -1.26 -5.06 105.19 103.35 2yuk n GLY 7 Ca -0.07 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 5.83 0.25 1.61 0.01 -1.26 -4.97 114.94 116.41 2yuk s ASN 8 Ca 0.00 2.17 0.08 0.00 -0.71 0.00 0.00 52.86 54.39 2yuk s ASN 8 Cb 0.00 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 2yuk s ASN 8 CO 0.00 -1.62 0.14 0.00 -1.51 0.00 0.00 177.10 174.12 2yuk s ALA 9 N 6.84 3.48 0.58 0.60 0.00 -1.26 -5.12 121.76 126.89 2yuk s ALA 9 Ca 0.95 -1.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.36 2yuk s ALA 9 Cb -0.36 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 2yuk s ALA 9 CO 0.37 0.27 0.96 -0.65 0.00 0.00 0.00 175.76 176.72 2yuk s GLN 10 N -3.74 3.56 -0.98 0.00 -0.21 -1.26 -4.95 119.66 112.08 2yuk s GLN 10 Ca 0.32 0.59 -0.24 0.00 0.02 0.00 0.00 55.36 56.05 2yuk s GLN 10 Cb -0.08 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.73 2yuk s GLN 10 CO 0.24 -0.48 1.89 1.03 -2.12 0.00 0.00 175.29 175.85 2yuk s ARG 11 N -5.06 2.67 0.37 2.91 1.81 -1.26 -4.93 118.95 115.46 2yuk s ARG 11 Ca 0.53 -0.58 0.08 0.00 -1.72 0.00 0.00 55.73 54.03 2yuk s ARG 11 Cb -0.11 -5.14 -0.04 0.00 -0.45 0.00 0.00 34.95 29.21 2yuk s ARG 11 CO 0.51 -3.37 0.19 -1.12 -0.68 0.00 0.00 175.30 170.83 2yuk s SER 12 N 7.35 4.68 -0.04 0.23 0.01 -1.26 -5.05 113.70 119.63 2yuk s SER 12 Ca 0.67 -0.84 0.16 0.00 1.31 0.00 0.00 55.95 57.25 2yuk s SER 12 Cb -0.05 -0.65 -0.21 0.00 0.21 0.00 0.00 66.02 65.33 2yuk s SER 12 CO 0.01 -0.41 0.56 0.35 0.41 0.00 0.00 173.24 174.17 2yuk n THR 13 N -1.23 1.29 0.25 1.44 -2.24 -1.26 -4.06 114.28 108.46 2yuk n THR 13 Ca -0.02 -0.75 0.10 0.00 -2.27 0.00 0.00 64.05 61.11 2yuk n THR 13 Cb 0.62 -0.71 0.54 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.00 0.00 0.04 3.22 4.07 -1.99 0.98 115.31 121.64 2yuk h LEU 14 Ca -0.28 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.29 2yuk h LEU 14 Cb 1.84 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.53 2yuk h LEU 14 CO 0.05 0.00 -2.32 1.17 -1.08 0.00 0.00 178.44 176.26 2yuk n LYS 15 N -2.44 0.69 -0.11 1.13 4.81 -1.26 -4.43 118.16 116.55 2yuk n LYS 15 Ca -0.01 0.19 -0.05 0.00 -0.87 0.00 0.00 58.31 57.56 2yuk n LYS 15 Cb 0.39 -1.58 0.01 0.00 0.02 0.00 0.00 35.03 33.86 2yuk n LYS 15 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 2yuk h TRP 16 N 0.01 -0.41 -1.14 5.64 4.06 -0.96 0.14 115.95 123.29 2yuk h TRP 16 Ca -0.53 0.04 0.32 0.00 2.06 0.00 0.00 58.89 60.78 2yuk h TRP 16 Cb 1.94 0.24 -0.06 0.00 -1.00 0.00 0.00 29.16 30.28 2yuk h TRP 16 CO 0.04 -0.25 0.79 1.49 -3.56 0.00 0.00 178.44 176.96 2yuk h GLU 17 N -0.10 0.11 0.01 0.49 4.81 -1.70 0.25 114.58 118.46 2yuk h GLU 17 Ca 0.19 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2yuk h GLU 17 Cb 0.39 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2yuk h GLU 17 CO -0.45 0.07 -0.01 0.87 -0.73 0.00 0.00 179.01 178.77 2yuk h LYS 18 N 0.11 -0.02 0.00 1.92 1.79 -0.95 -3.26 116.57 116.16 2yuk h LYS 18 Ca 0.57 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 59.02 2yuk h LYS 18 Cb 2.04 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.69 2yuk h LYS 18 CO -0.10 0.71 -0.10 0.93 -1.08 0.00 0.00 179.45 179.81 2yuk h GLU 19 N -0.77 0.00 -0.40 3.15 4.39 -0.32 -1.90 114.58 118.74 2yuk h GLU 19 Ca -0.00 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.81 2yuk h GLU 19 Cb 0.73 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 2yuk h GLU 19 CO 0.00 0.10 0.36 0.93 -1.16 0.00 0.00 179.01 179.24 2yuk h GLU 20 N 0.00 0.00 0.21 2.33 4.39 -0.64 -0.00 114.58 120.87 2yuk h GLU 20 Ca -0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 2yuk h GLU 20 Cb 0.19 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2yuk h GLU 20 CO 0.01 0.00 -1.40 0.00 -1.16 0.00 0.00 179.01 176.46 2yuk h ALA 21 N 1.66 -0.08 0.00 3.43 0.00 -1.47 -3.22 119.26 119.59 2yuk h ALA 21 Ca 0.19 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2yuk h ALA 21 Cb 0.90 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2yuk h ALA 21 CO -0.00 0.78 0.00 1.28 0.00 0.00 0.00 179.25 181.30 2yuk n LEU 22 N -3.67 0.69 0.00 0.00 4.77 -0.08 -4.90 117.00 113.81 2yuk n LEU 22 Ca -0.14 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2yuk n LEU 22 Cb 1.08 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2yuk n LEU 22 CO 0.59 -0.63 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 2yuk n GLY 23 N -0.16 2.67 0.24 -0.72 0.00 -0.80 -0.01 105.19 106.40 2yuk n GLY 23 Ca 0.02 0.33 0.16 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.01 1.61 5.08 -1.87 0.28 114.58 119.66 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 -0.15 -1.33 -1.00 0.00 0.00 179.01 176.53 2yuk n MET 25 N -2.60 1.08 -1.66 2.33 2.81 0.99 -4.93 117.12 115.14 2yuk n MET 25 Ca -0.02 -0.59 -0.53 0.00 -1.81 0.00 0.00 57.70 54.74 2yuk n MET 25 Cb 0.05 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 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 -0.44 -0.13 1.00 3.04 0.00 0.97 -4.81 120.51 120.14 2yuk n ALA 26 Ca 0.15 0.42 0.01 0.00 0.00 0.00 0.00 53.44 54.02 2yuk n ALA 26 Cb 0.34 -2.23 0.04 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 3.84 0.25 -4.37 0.00 -2.24 -1.26 -4.57 114.28 105.93 2yuk n THR 27 Ca 0.22 -0.14 -0.26 0.00 -2.27 0.00 0.00 64.05 61.61 2yuk n THR 27 Cb 0.19 -0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 67.96 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 -1.34 2.85 -0.04 2.28 1.01 -1.26 -4.54 120.40 119.36 2yuk s VAL 28 Ca 0.06 -1.96 -0.17 0.00 0.00 0.00 0.00 61.98 59.91 2yuk s VAL 28 Cb 0.04 -2.43 -0.10 0.00 0.00 0.00 0.00 36.38 33.89 2yuk s VAL 28 CO 0.02 -0.21 0.69 0.00 0.00 0.00 0.00 175.10 175.60 2yuk h ALA 29 N 2.70 -0.47 0.07 5.51 0.00 -1.88 -2.97 119.26 122.22 2yuk h ALA 29 Ca -0.45 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 2yuk h ALA 29 Cb 1.22 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2yuk h ALA 29 CO 0.55 -0.46 -0.03 -1.00 0.00 0.00 0.00 179.25 178.30 2yuk h PRO 30 N -1.08 -0.09 0.00 0.00 0.13 -1.92 -1.95 132.00 127.09 2yuk h PRO 30 Ca -0.05 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2yuk h PRO 30 Cb 0.44 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.59 2yuk h PRO 30 CO 0.08 0.36 0.15 0.28 -0.23 0.00 0.00 178.00 178.64 2yuk h VAL 31 N -0.58 0.00 0.03 1.56 2.07 -1.91 -1.76 116.25 115.66 2yuk h VAL 31 Ca -0.01 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.23 2yuk h VAL 31 Cb 0.50 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2yuk h VAL 31 CO 0.02 0.00 -1.56 -0.11 0.02 0.00 0.00 177.57 175.94 2yuk n LEU 32 N -2.57 2.07 0.07 2.57 7.94 -1.12 -3.51 117.00 122.45 2yuk n LEU 32 Ca -0.02 0.36 -0.13 0.00 -1.11 0.00 0.00 56.01 55.11 2yuk n LEU 32 Cb 0.19 -0.99 -0.06 0.00 0.53 0.00 0.00 43.42 43.09 2yuk n LEU 32 CO 0.12 0.45 0.60 0.22 -1.11 0.00 0.00 177.39 177.67 2yuk h TYR 33 N -0.73 -1.10 -0.38 1.96 5.03 -0.53 -2.31 116.97 118.91 2yuk h TYR 33 Ca -0.40 0.03 0.04 0.00 2.58 0.00 0.00 58.73 60.99 2yuk h TYR 33 Cb 1.51 0.48 -0.04 0.00 1.55 0.00 0.00 36.73 40.23 2yuk h TYR 33 CO 0.08 -0.48 0.14 1.79 -1.32 0.00 0.00 178.16 178.37 2yuk h THR 34 N -0.56 0.91 -1.16 1.81 1.35 -1.67 0.27 112.91 113.86 2yuk h THR 34 Ca 0.05 -0.11 0.33 0.00 -0.55 0.00 0.00 66.41 66.13 2yuk h THR 34 Cb 0.63 0.57 -0.10 0.00 -1.73 0.00 0.00 68.15 67.53 2yuk h THR 34 CO -0.29 0.06 0.76 0.78 -0.25 0.00 0.00 175.52 176.58 2yuk h ASN 35 N 0.31 0.32 0.00 5.36 2.35 -1.47 1.24 115.58 123.69 2yuk h ASN 35 Ca 0.17 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2yuk h ASN 35 Cb 0.13 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2yuk h ASN 35 CO -0.16 -0.01 -0.33 -0.38 -1.65 0.00 0.00 177.43 174.90 2yuk n ILE 36 N -4.57 0.82 -0.02 2.81 5.41 -0.60 -4.00 119.36 119.21 2yuk n ILE 36 Ca 0.29 0.33 -0.09 0.00 1.00 0.00 0.00 62.75 64.28 2yuk n ILE 36 Cb 1.11 -2.01 -0.02 0.00 -0.71 0.00 0.00 39.64 38.00 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 -0.58 -0.50 -3.67 4.38 2.35 -0.34 -3.28 115.58 113.94 2yuk h ASN 37 Ca 0.00 0.10 -0.72 0.00 -0.55 0.00 0.00 56.30 55.13 2yuk h ASN 37 Cb 0.33 0.24 -0.34 0.00 0.05 0.00 0.00 38.32 38.61 2yuk h ASN 37 CO 0.00 -0.20 -0.11 -0.36 -1.65 0.00 0.00 177.43 175.11 2yuk s PHE 38 N -6.14 3.76 0.08 1.19 0.40 0.43 -4.90 117.98 112.80 2yuk s PHE 38 Ca -0.14 -2.80 -0.16 0.00 -0.60 0.00 0.00 56.93 53.22 2yuk s PHE 38 Cb 0.11 -3.34 -0.10 0.00 0.51 0.00 0.00 43.02 40.20 2yuk s PHE 38 CO 0.68 -0.81 1.40 -1.00 0.70 0.00 0.00 175.22 176.19 2yuk h PRO 39 N 6.56 0.60 -0.42 0.24 0.13 -1.63 -2.94 132.00 134.53 2yuk h PRO 39 Ca 0.10 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2yuk h PRO 39 Cb 0.88 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2yuk h PRO 39 CO 0.81 0.91 0.00 0.09 -0.23 0.00 0.00 178.00 179.58 2yuk n ASN 40 N -4.35 1.24 -0.25 1.44 4.13 -1.26 -4.31 115.26 111.90 2yuk n ASN 40 Ca -0.04 -2.07 0.02 0.00 1.68 0.00 0.00 54.58 54.17 2yuk n ASN 40 Cb 0.44 -0.26 0.10 0.00 -1.54 0.00 0.00 39.78 38.52 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 0.89 -0.63 -1.01 3.41 5.85 -1.86 0.39 115.31 122.35 2yuk h LEU 41 Ca 0.00 0.22 0.26 0.00 0.84 0.00 0.00 57.88 59.20 2yuk h LEU 41 Cb 0.42 0.44 -0.13 0.00 0.37 0.00 0.00 40.66 41.76 2yuk h LEU 41 CO 0.04 -0.23 0.59 0.07 -0.34 0.00 0.00 178.44 178.57 2yuk h LYS 42 N 0.02 0.52 0.62 1.25 2.10 -1.79 -0.74 116.57 118.55 2yuk h LYS 42 Ca 0.36 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.95 2yuk h LYS 42 Cb 0.57 -0.12 0.01 0.00 -0.90 0.00 0.00 32.23 31.79 2yuk h LYS 42 CO -0.74 0.35 -0.30 0.93 -2.00 0.00 0.00 179.45 177.69 2yuk h GLU 43 N 0.54 -0.80 -0.99 0.07 5.08 -0.56 -2.36 114.58 115.56 2yuk h GLU 43 Ca 0.66 0.05 0.30 0.00 -1.00 0.00 0.00 59.36 59.37 2yuk h GLU 43 Cb 1.30 0.18 -0.14 0.00 0.50 0.00 0.00 28.75 30.59 2yuk h GLU 43 CO -0.49 -0.53 0.54 0.93 -1.00 0.00 0.00 179.01 178.45 2yuk h GLU 44 N -1.13 0.34 -2.99 2.33 5.08 -0.90 -3.26 114.58 114.06 2yuk h GLU 44 Ca -0.08 -0.02 -0.58 0.00 -1.00 0.00 0.00 59.36 57.67 2yuk h GLU 44 Cb 0.64 -0.08 -0.40 0.00 0.50 0.00 0.00 28.75 29.41 2yuk h GLU 44 CO 0.14 0.23 -0.78 -0.06 -1.00 0.00 0.00 179.01 177.54 2yuk s PHE 45 N -5.71 1.32 0.00 4.33 0.40 -0.35 -5.00 117.98 112.97 2yuk s PHE 45 Ca -0.10 -1.81 -0.24 0.00 -0.60 0.00 0.00 56.93 54.18 2yuk s PHE 45 Cb 0.29 -1.43 -0.18 0.00 0.51 0.00 0.00 43.02 42.22 2yuk s PHE 45 CO 0.79 -0.83 1.30 -1.00 0.70 0.00 0.00 175.22 176.18 2yuk h PRO 46 N 7.38 0.15 -6.26 0.24 0.13 -1.47 -3.40 132.00 128.76 2yuk h PRO 46 Ca -0.05 -0.08 -0.58 0.00 -0.87 0.00 0.00 66.00 64.43 2yuk h PRO 46 Cb 0.97 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 2yuk h PRO 46 CO 0.41 0.59 1.27 -0.51 -0.23 0.00 0.00 178.00 179.53 2yuk s ASP 47 N -5.87 5.94 0.10 1.44 1.01 -1.26 -4.87 116.67 113.16 2yuk s ASP 47 Ca -0.15 1.40 -0.23 0.00 0.71 0.00 0.00 52.55 54.28 2yuk s ASP 47 Cb 0.03 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.36 2yuk s ASP 47 CO 0.71 -1.66 1.39 -0.25 0.21 0.00 0.00 175.17 175.57 2yuk h TRP 48 N 12.69 -1.26 -0.99 4.23 -0.00 -1.98 0.77 115.95 129.42 2yuk h TRP 48 Ca -0.34 0.07 0.29 0.00 -0.00 0.00 0.00 58.89 58.90 2yuk h TRP 48 Cb 1.17 0.60 -0.04 0.00 -0.00 0.00 0.00 29.16 30.90 2yuk h TRP 48 CO 0.95 -0.33 1.19 1.15 -0.00 0.00 0.00 178.44 181.41 2yuk h THR 49 N -0.20 0.01 0.02 2.65 2.02 -1.97 1.19 112.91 116.64 2yuk h THR 49 Ca 0.07 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.88 2yuk h THR 49 Cb 0.39 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.76 2yuk h THR 49 CO -0.50 0.00 -2.31 0.41 0.37 0.00 0.00 175.52 173.49 2yuk n THR 50 N -3.24 1.53 0.03 3.16 -1.04 0.22 -4.32 114.28 110.63 2yuk n THR 50 Ca 0.22 -0.67 -0.13 0.00 -2.04 0.00 0.00 64.05 61.44 2yuk n THR 50 Cb 1.49 -1.25 -0.09 0.00 -1.82 0.00 0.00 70.33 68.66 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 0.01 -0.10 -0.97 -2.82 2.43 0.58 -3.14 114.38 110.38 2yuk h ARG 51 Ca -0.52 0.01 0.31 0.00 -0.81 0.00 0.00 59.98 58.96 2yuk h ARG 51 Cb 2.01 0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 31.43 2yuk h ARG 51 CO -0.02 0.29 0.44 -0.24 -1.51 0.00 0.00 179.97 178.93 2yuk h VAL 52 N -0.51 0.24 -0.81 0.20 3.04 -0.69 0.86 116.25 118.57 2yuk h VAL 52 Ca -0.01 -0.08 0.01 0.00 -1.01 0.00 0.00 66.70 65.61 2yuk h VAL 52 Cb 0.44 -0.01 -0.04 0.00 -2.01 0.00 0.00 31.29 29.67 2yuk h VAL 52 CO 0.02 0.04 0.53 0.11 -1.01 0.00 0.00 177.57 177.26 2yuk h LYS 53 N 0.23 1.08 -0.04 4.17 1.57 -1.73 -1.52 116.57 120.32 2yuk h LYS 53 Ca 0.69 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 59.33 2yuk h LYS 53 Cb 1.58 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 2yuk h LYS 53 CO -0.66 0.72 -0.30 1.96 -0.57 0.00 0.00 179.45 180.59 2yuk h GLN 54 N 1.11 0.08 -0.29 3.15 1.08 0.71 -2.15 115.11 118.79 2yuk h GLN 54 Ca 0.30 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.34 2yuk h GLN 54 Cb -0.11 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 2yuk h GLN 54 CO -0.06 0.37 -0.36 0.82 -0.95 0.00 0.00 178.83 178.65 2yuk h ILE 55 N 0.07 1.29 0.06 2.54 2.04 -0.75 -1.43 117.51 121.32 2yuk h ILE 55 Ca 0.01 -1.52 -0.00 0.00 1.00 0.00 0.00 64.86 64.35 2yuk h ILE 55 Cb 0.57 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2yuk h ILE 55 CO 0.04 0.49 -0.03 0.00 0.00 0.00 0.00 178.15 178.65 2yuk h ALA 56 N 1.04 -0.08 -0.12 1.87 0.00 -1.16 -1.44 119.26 119.38 2yuk h ALA 56 Ca 0.05 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2yuk h ALA 56 Cb 0.88 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2yuk h ALA 56 CO 0.08 -0.25 0.01 1.57 0.00 0.00 0.00 179.25 180.66 2yuk h LYS 57 N -0.66 0.05 0.00 0.00 2.10 -1.44 -1.22 116.57 115.41 2yuk h LYS 57 Ca -0.01 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 2yuk h LYS 57 Cb 0.56 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.87 2yuk h LYS 57 CO 0.01 0.04 -0.20 -0.07 -2.00 0.00 0.00 179.45 177.23 2yuk h LEU 58 N 0.06 0.00 0.44 7.07 3.38 -1.35 -2.39 115.31 122.52 2yuk h LEU 58 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2yuk h LEU 58 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2yuk h LEU 58 CO -0.08 0.20 -0.21 -0.25 0.09 0.00 0.00 178.44 178.19 2yuk h TRP 59 N 0.00 -0.55 -0.19 1.13 2.91 -0.44 -3.22 115.95 115.60 2yuk h TRP 59 Ca -0.00 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.05 2yuk h TRP 59 Cb 0.37 0.18 -0.05 0.00 -0.51 0.00 0.00 29.16 29.15 2yuk h TRP 59 CO 0.00 -0.22 -0.13 0.00 -1.03 0.00 0.00 178.44 177.05 2yuk h ARG 60 N -0.96 -0.13 -0.94 2.65 3.08 -1.17 -1.84 114.38 115.07 2yuk h ARG 60 Ca -0.06 0.01 0.34 0.00 0.07 0.00 0.00 59.98 60.33 2yuk h ARG 60 Cb 0.57 0.03 -0.17 0.00 0.08 0.00 0.00 29.97 30.48 2yuk h ARG 60 CO 0.10 -0.09 0.29 1.63 -1.07 0.00 0.00 179.97 180.83 2yuk n LYS 61 N -5.29 -0.07 -1.97 0.04 5.02 -0.91 -4.20 118.16 110.79 2yuk n LYS 61 Ca -0.02 1.35 -0.42 0.00 -2.02 0.00 0.00 58.31 57.20 2yuk n LYS 61 Cb 0.20 -2.30 -0.03 0.00 -0.02 0.00 0.00 35.03 32.89 2yuk n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yuk s ALA 62 N -5.66 3.62 0.79 7.82 0.00 -0.69 -4.96 121.76 122.68 2yuk s ALA 62 Ca -0.10 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 52.70 2yuk s ALA 62 Cb 0.30 -3.75 0.04 0.00 0.00 0.00 0.00 23.12 19.71 2yuk s ALA 62 CO 0.74 -1.39 0.95 0.43 0.00 0.00 0.00 175.76 176.49 2yuk n SER 63 N 7.07 0.21 -0.28 0.00 7.64 -1.26 -4.66 113.62 122.33 2yuk n SER 63 Ca 0.17 0.58 0.09 0.00 1.01 0.00 0.00 58.87 60.73 2yuk n SER 63 Cb 0.42 -1.41 0.24 0.00 -1.01 0.00 0.00 64.21 62.46 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 -0.73 0.15 -0.04 6.43 0.02 -1.93 0.77 113.55 118.22 2yuk h SER 64 Ca -0.46 0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.65 2yuk h SER 64 Cb 1.31 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 64.03 2yuk h SER 64 CO 0.44 -0.03 0.05 1.56 -1.14 0.00 0.00 176.83 177.71 2yuk h GLN 65 N 0.33 0.00 0.09 3.45 7.50 -2.01 -0.69 115.11 123.79 2yuk h GLN 65 Ca 0.49 0.00 -0.26 0.00 0.50 0.00 0.00 58.65 59.38 2yuk h GLN 65 Cb 0.88 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.41 2yuk h GLN 65 CO -0.53 0.00 -1.17 1.49 -1.50 0.00 0.00 178.83 177.12 2yuk h GLU 66 N 0.00 0.21 0.00 1.46 4.57 0.25 -3.23 114.58 117.84 2yuk h GLU 66 Ca 0.02 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 2yuk h GLU 66 Cb 0.12 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2yuk h GLU 66 CO -0.00 1.16 0.00 0.00 -1.18 0.00 0.00 179.01 178.99 2yuk h ARG 67 N 0.06 0.00 -0.90 1.92 3.08 -0.57 -3.36 114.38 114.61 2yuk h ARG 67 Ca -0.10 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.04 2yuk h ARG 67 Cb 1.91 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.84 2yuk h ARG 67 CO 0.19 0.00 -0.49 0.00 -1.07 0.00 0.00 179.97 178.60 2yuk n ALA 68 N -1.96 -0.47 0.03 0.04 0.00 -0.50 0.19 120.51 117.83 2yuk n ALA 68 Ca 0.04 0.80 -0.13 0.00 0.00 0.00 0.00 53.44 54.15 2yuk n ALA 68 Cb 0.46 -0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.11 0.00 0.00 0.13 -1.80 -2.34 132.00 127.88 2yuk h PRO 69 Ca 0.18 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2yuk h PRO 69 Cb 0.41 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2yuk h PRO 69 CO -0.86 0.34 0.03 1.88 -0.23 0.00 0.00 178.00 179.16 2yuk h TYR 70 N -0.60 0.00 0.09 1.56 0.05 -1.48 0.27 116.97 116.85 2yuk h TYR 70 Ca -0.01 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.44 2yuk h TYR 70 Cb 0.50 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 2yuk h TYR 70 CO 0.08 0.00 -1.76 0.28 -1.05 0.00 0.00 178.16 175.72 2yuk h VAL 71 N 0.00 0.87 0.03 -2.88 2.07 0.22 -3.29 116.25 113.26 2yuk h VAL 71 Ca 0.00 -2.60 -0.07 0.00 0.82 0.00 0.00 66.70 64.85 2yuk h VAL 71 Cb 0.05 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2yuk h VAL 71 CO 0.00 0.76 -0.35 -0.61 0.02 0.00 0.00 177.57 177.39 2yuk h GLN 72 N 0.05 0.06 -0.41 1.57 5.75 -0.62 -3.34 115.11 118.17 2yuk h GLN 72 Ca -0.32 -0.10 0.09 0.00 -0.15 0.00 0.00 58.65 58.16 2yuk h GLN 72 Cb 2.02 0.04 -0.09 0.00 1.07 0.00 0.00 27.48 30.53 2yuk h GLN 72 CO 0.11 1.05 -0.16 -0.22 -2.65 0.00 0.00 178.83 176.96 2yuk h LYS 73 N -0.87 -0.07 -0.85 1.69 3.64 -0.74 -0.90 116.57 118.47 2yuk h LYS 73 Ca -0.08 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.52 2yuk h LYS 73 Cb 1.17 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.86 2yuk h LYS 73 CO 0.00 -0.05 0.10 0.00 -2.27 0.00 0.00 179.45 177.23 2yuk h ALA 74 N 1.27 1.05 -0.14 5.00 0.00 -1.71 0.31 119.26 125.05 2yuk h ALA 74 Ca 0.20 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 2yuk h ALA 74 Cb 0.38 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2yuk h ALA 74 CO -0.47 -0.47 0.04 0.00 0.00 0.00 0.00 179.25 178.35 2yuk h ARG 75 N 0.12 0.22 -0.78 0.00 3.08 -1.31 -2.89 114.38 112.82 2yuk h ARG 75 Ca 0.50 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.53 2yuk h ARG 75 Cb 0.97 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.95 2yuk h ARG 75 CO -0.72 0.37 0.51 0.22 -1.07 0.00 0.00 179.97 179.29 2yuk h ASP 76 N 0.02 0.83 -0.69 7.04 1.82 -0.17 -1.52 116.42 123.76 2yuk h ASP 76 Ca 0.04 -0.01 0.09 0.00 -0.39 0.00 0.00 57.03 56.76 2yuk h ASP 76 Cb 0.25 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.02 2yuk h ASP 76 CO 0.00 0.58 0.45 0.78 -1.61 0.00 0.00 179.24 179.44 2yuk h ASN 77 N 0.97 0.52 -0.75 2.28 2.35 -0.29 -1.21 115.58 119.44 2yuk h ASN 77 Ca 0.31 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.04 2yuk h ASN 77 Cb 0.02 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2yuk h ASN 77 CO -0.09 0.31 0.35 0.03 -1.65 0.00 0.00 177.43 176.39 2yuk h ARG 78 N 0.57 1.09 -0.55 0.81 3.08 -1.19 -2.80 114.38 115.39 2yuk h ARG 78 Ca 0.31 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.21 2yuk h ARG 78 Cb 0.46 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2yuk h ARG 78 CO -0.10 0.86 0.35 0.00 -1.07 0.00 0.00 179.97 180.01 2yuk h ALA 79 N 1.18 0.70 -0.54 0.04 0.00 -1.23 -2.66 119.26 116.74 2yuk h ALA 79 Ca 0.26 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.24 2yuk h ALA 79 Cb 0.13 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 2yuk h ALA 79 CO -0.03 0.11 0.03 0.00 0.00 0.00 0.00 179.25 179.36 2yuk h ALA 80 N 1.21 0.55 -0.85 0.00 0.00 -1.29 -0.14 119.26 118.74 2yuk h ALA 80 Ca 0.21 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.29 2yuk h ALA 80 Cb -0.05 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2yuk h ALA 80 CO -0.06 -0.37 0.56 -0.07 0.00 0.00 0.00 179.25 179.31 2yuk h LEU 81 N 0.15 0.93 -2.22 0.00 3.38 -1.40 -0.45 115.31 115.72 2yuk h LEU 81 Ca 0.28 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2yuk h LEU 81 Cb 0.42 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2yuk h LEU 81 CO -0.43 0.66 -0.05 -0.09 0.09 0.00 0.00 178.44 178.62 2yuk h ARG 82 N 1.09 0.00 0.47 1.13 1.12 -0.75 -3.13 114.38 114.30 2yuk h ARG 82 Ca 0.33 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.17 2yuk h ARG 82 Cb -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.93 2yuk h ARG 82 CO -0.09 0.05 -0.22 0.82 -3.11 0.00 0.00 179.97 177.41 2yuk h ILE 83 N 0.00 0.00 -3.59 1.20 1.08 -0.54 -3.46 117.51 112.21 2yuk h ILE 83 Ca -0.00 -0.21 -0.46 0.00 -0.39 0.00 0.00 64.86 63.80 2yuk h ILE 83 Cb 0.24 0.00 0.07 0.00 -3.07 0.00 0.00 36.82 34.06 2yuk h ILE 83 CO 0.01 0.00 0.19 0.21 -0.69 0.00 0.00 178.15 177.87 2yuk s ASN 84 N -3.77 4.94 -0.40 1.72 3.84 -1.18 -5.02 114.94 115.06 2yuk s ASN 84 Ca -0.09 0.42 -0.28 0.00 0.21 0.00 0.00 52.86 53.11 2yuk s ASN 84 Cb 0.01 -1.12 0.02 0.00 -0.55 0.00 0.00 41.25 39.61 2yuk s ASN 84 CO 0.27 -1.50 1.07 -1.59 -2.79 0.00 0.00 177.10 172.57 2yuk s LYS 85 N -5.16 3.85 0.22 0.43 -2.85 -1.26 -4.89 119.74 110.08 2yuk s LYS 85 Ca 0.59 0.72 0.09 0.00 -1.00 0.00 0.00 55.97 56.38 2yuk s LYS 85 Cb -0.11 -3.83 -0.04 0.00 -2.06 0.00 0.00 37.83 31.79 2yuk s LYS 85 CO 0.44 -1.13 -0.06 0.14 0.10 0.00 0.00 175.35 174.84 2yuk s VAL 86 N 3.97 3.28 -1.25 1.79 -7.23 -1.26 -5.05 120.40 114.64 2yuk s VAL 86 Ca 0.45 -1.79 -0.19 0.00 -1.81 0.00 0.00 61.98 58.63 2yuk s VAL 86 Cb -0.10 -2.68 0.07 0.00 0.56 0.00 0.00 36.38 34.23 2yuk s VAL 86 CO 0.23 -0.23 1.69 -1.10 -0.31 0.00 0.00 175.10 175.39 2yuk s GLN 87 N -3.21 3.91 -0.23 4.82 -0.21 -1.26 -4.89 119.66 118.59 2yuk s GLN 87 Ca 0.28 -1.85 -0.01 0.00 0.02 0.00 0.00 55.36 53.80 2yuk s GLN 87 Cb -0.08 -5.51 0.07 0.00 1.00 0.00 0.00 33.01 28.49 2yuk s GLN 87 CO 0.17 -2.26 0.02 1.41 -2.12 0.00 0.00 175.29 172.51 2yuk s MET 88 N 4.37 0.98 -0.08 2.91 1.75 -1.26 -5.10 119.30 122.86 2yuk s MET 88 Ca 0.53 -0.76 -0.29 0.00 -1.25 0.00 0.00 55.69 53.92 2yuk s MET 88 Cb 0.03 -2.26 -0.06 0.00 2.84 0.00 0.00 34.83 35.39 2yuk s MET 88 CO 0.05 -0.70 1.79 0.45 -0.65 0.00 0.00 175.02 175.96 2yuk s SER 89 N 1.65 6.41 0.00 1.11 0.15 -1.26 -5.27 113.70 116.49 2yuk s SER 89 Ca -0.00 2.18 0.00 0.00 0.70 0.00 0.00 55.95 58.83 2yuk s SER 89 Cb -0.18 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2yuk s SER 89 CO -0.11 -1.15 0.37 -0.46 1.20 0.00 0.00 173.24 173.09