#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 -0.50 0.11 1.61 1.04 -1.26 -5.14 113.70 109.57 2yuk s SER 2 Ca 0.00 0.73 -0.36 0.00 0.48 0.00 0.00 55.95 56.80 2yuk s SER 2 Cb 0.00 1.43 -0.16 0.00 0.10 0.00 0.00 66.02 67.39 2yuk s SER 2 CO 0.00 -0.11 1.42 -1.20 0.98 0.00 0.00 173.24 174.33 2yuk n SER 3 N 4.38 2.13 -2.07 7.02 7.64 -1.26 -4.83 113.62 126.63 2yuk n SER 3 Ca -0.13 1.11 -0.16 0.00 1.01 0.00 0.00 58.87 60.70 2yuk n SER 3 Cb 0.55 -1.27 -0.06 0.00 -1.01 0.00 0.00 64.21 62.41 2yuk n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuk n GLY 4 N 2.81 3.61 2.85 0.23 0.00 -1.26 -4.78 105.19 108.66 2yuk n GLY 4 Ca 0.18 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 2yuk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuk s SER 5 N 1.06 3.34 0.09 1.61 0.01 -1.26 -5.13 113.70 113.41 2yuk s SER 5 Ca 0.47 -0.97 -0.02 0.00 1.31 0.00 0.00 55.95 56.74 2yuk s SER 5 Cb 0.28 -0.90 -0.05 0.00 0.21 0.00 0.00 66.02 65.56 2yuk s SER 5 CO -0.08 -0.26 0.27 -0.44 0.41 0.00 0.00 173.24 173.15 2yuk s SER 6 N 1.62 6.41 0.24 2.44 0.01 -1.26 -4.84 113.70 118.31 2yuk s SER 6 Ca -0.03 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2yuk s SER 6 Cb -0.18 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2yuk s SER 6 CO -0.07 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2yuk n GLY 7 N 0.27 0.76 3.57 3.44 0.00 -1.26 -4.83 105.19 107.14 2yuk n GLY 7 Ca -0.04 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 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 -4.00 5.42 0.01 1.61 2.20 -1.26 -4.96 114.94 113.96 2yuk s ASN 8 Ca 0.00 0.79 -0.27 0.00 -0.94 0.00 0.00 52.86 52.44 2yuk s ASN 8 Cb 0.00 -2.52 -0.04 0.00 -2.00 0.00 0.00 41.25 36.68 2yuk s ASN 8 CO 0.00 -2.17 0.85 0.00 -2.94 0.00 0.00 177.10 172.84 2yuk s ALA 9 N 8.56 3.27 -0.49 3.54 0.00 -1.26 -4.96 121.76 130.42 2yuk s ALA 9 Ca 0.75 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.06 2yuk s ALA 9 Cb -0.17 -3.14 0.21 0.00 0.00 0.00 0.00 23.12 20.02 2yuk s ALA 9 CO 0.26 -0.09 2.31 1.04 0.00 0.00 0.00 175.76 179.28 2yuk n GLN 10 N 3.44 2.29 -0.53 0.00 6.02 -1.26 -4.99 117.38 122.35 2yuk n GLN 10 Ca 0.01 -2.38 -0.22 0.00 -0.01 0.00 0.00 57.00 54.40 2yuk n GLN 10 Cb 0.51 -2.01 0.17 0.00 1.02 0.00 0.00 30.24 29.93 2yuk n GLN 10 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2yuk n ARG 11 N 0.23 -2.38 -3.92 -1.09 0.00 -1.26 -5.05 116.66 103.19 2yuk n ARG 11 Ca 0.45 -0.70 -0.10 0.00 -0.00 0.00 0.00 57.85 57.51 2yuk n ARG 11 Cb 0.54 -1.56 -0.02 0.00 -0.00 0.00 0.00 32.46 31.42 2yuk n ARG 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2yuk s SER 12 N -2.05 0.09 -0.55 2.89 0.15 -1.26 -5.12 113.70 107.85 2yuk s SER 12 Ca 0.43 -1.03 -0.17 0.00 0.70 0.00 0.00 55.95 55.88 2yuk s SER 12 Cb -0.08 0.72 0.12 0.00 -1.71 0.00 0.00 66.02 65.07 2yuk s SER 12 CO 0.43 -1.40 0.56 0.42 1.20 0.00 0.00 173.24 174.45 2yuk s THR 13 N -3.27 5.08 0.00 6.45 -4.23 -1.26 -4.75 115.64 113.66 2yuk s THR 13 Ca 0.19 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 2yuk s THR 13 Cb -0.03 -4.38 0.00 0.00 1.34 0.00 0.00 72.50 69.43 2yuk s THR 13 CO 0.11 -0.94 0.00 0.18 -0.54 0.00 0.00 174.62 173.44 2yuk n LEU 14 N 5.60 0.40 0.09 4.79 4.32 -1.26 -4.77 117.00 126.17 2yuk n LEU 14 Ca -0.12 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.68 2yuk n LEU 14 Cb 0.41 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.10 2yuk n LEU 14 CO 0.55 0.07 -0.00 0.50 -1.22 0.00 0.00 177.39 177.29 2yuk h LYS 15 N 0.00 0.48 0.18 3.23 3.64 -1.96 -3.35 116.57 118.79 2yuk h LYS 15 Ca 0.00 -0.65 0.01 0.00 -1.27 0.00 0.00 60.65 58.74 2yuk h LYS 15 Cb 0.65 0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 2yuk h LYS 15 CO 0.00 1.27 -0.47 -1.49 -2.27 0.00 0.00 179.45 176.49 2yuk h TRP 16 N 0.21 -1.35 -1.00 1.91 4.06 -1.94 -0.93 115.95 116.91 2yuk h TRP 16 Ca -0.15 0.03 0.39 0.00 2.06 0.00 0.00 58.89 61.22 2yuk h TRP 16 Cb 1.85 0.56 -0.18 0.00 -1.00 0.00 0.00 29.16 30.39 2yuk h TRP 16 CO 0.09 -0.55 0.42 1.05 -3.56 0.00 0.00 178.44 175.90 2yuk h GLU 17 N -0.72 0.00 -0.12 0.49 4.11 -1.86 0.81 114.58 117.29 2yuk h GLU 17 Ca -0.02 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.38 2yuk h GLU 17 Cb 0.70 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2yuk h GLU 17 CO -0.22 0.00 -0.06 0.87 0.07 0.00 0.00 179.01 179.67 2yuk h LYS 18 N 0.00 0.25 0.00 1.06 1.57 -1.40 -2.94 116.57 115.11 2yuk h LYS 18 Ca 0.80 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 59.45 2yuk h LYS 18 Cb 2.03 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 34.33 2yuk h LYS 18 CO -0.81 0.60 -0.09 0.93 -0.57 0.00 0.00 179.45 179.51 2yuk h GLU 19 N -0.11 0.00 0.00 3.15 4.39 0.16 -2.38 114.58 119.79 2yuk h GLU 19 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2yuk h GLU 19 Cb 0.53 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2yuk h GLU 19 CO 0.02 0.09 -0.05 0.93 -1.16 0.00 0.00 179.01 178.84 2yuk h GLU 20 N 0.00 0.00 0.04 2.33 4.39 0.08 -1.72 114.58 119.70 2yuk h GLU 20 Ca -0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 2yuk h GLU 20 Cb 0.38 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2yuk h GLU 20 CO 0.01 0.05 -0.99 0.00 -1.16 0.00 0.00 179.01 176.92 2yuk h ALA 21 N 1.95 0.37 0.00 3.43 0.00 -1.50 -3.13 119.26 120.38 2yuk h ALA 21 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2yuk h ALA 21 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2yuk h ALA 21 CO 0.01 0.97 0.00 -0.07 0.00 0.00 0.00 179.25 180.16 2yuk h LEU 22 N 0.09 0.00 0.00 0.00 3.38 -1.39 -3.47 115.31 113.92 2yuk h LEU 22 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2yuk h LEU 22 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2yuk h LEU 22 CO 0.15 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2yuk n GLY 23 N -0.06 3.28 0.21 0.83 0.00 -1.07 -0.43 105.19 107.95 2yuk n GLY 23 Ca 0.01 0.26 0.14 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 1.61 5.08 -1.88 0.29 114.58 119.68 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 -0.46 -1.33 -1.00 0.00 0.00 179.01 176.22 2yuk n MET 25 N -2.49 0.03 -1.42 2.33 2.81 0.42 -4.95 117.12 113.85 2yuk n MET 25 Ca -0.02 0.01 -0.55 0.00 -1.81 0.00 0.00 57.70 55.32 2yuk n MET 25 Cb 0.06 -1.52 -0.08 0.00 -0.71 0.00 0.00 33.22 30.97 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 -1.53 -2.05 1.73 3.04 0.00 0.10 -4.77 120.51 117.03 2yuk n ALA 26 Ca 0.05 0.47 0.02 0.00 0.00 0.00 0.00 53.44 53.98 2yuk n ALA 26 Cb 0.34 -1.60 0.05 0.00 0.00 0.00 0.00 19.45 18.24 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 2.54 0.11 -4.25 0.00 -2.24 -1.26 -4.56 114.28 104.62 2yuk n THR 27 Ca 0.23 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.63 2yuk n THR 27 Cb -0.00 0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 68.20 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 -1.89 3.44 -0.02 2.28 1.01 -1.26 -4.41 120.40 119.55 2yuk s VAL 28 Ca 0.06 -1.57 -0.21 0.00 0.00 0.00 0.00 61.98 60.27 2yuk s VAL 28 Cb 0.03 -2.72 -0.13 0.00 0.00 0.00 0.00 36.38 33.56 2yuk s VAL 28 CO 0.04 -0.12 0.90 0.00 0.00 0.00 0.00 175.10 175.92 2yuk h ALA 29 N 2.77 -0.52 0.01 5.51 0.00 -1.88 -2.79 119.26 122.37 2yuk h ALA 29 Ca -0.47 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 2yuk h ALA 29 Cb 1.21 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2yuk h ALA 29 CO 0.56 -0.54 -0.01 -1.00 0.00 0.00 0.00 179.25 178.27 2yuk h PRO 30 N -1.02 -0.02 0.00 0.00 0.13 -1.92 -1.52 132.00 127.65 2yuk h PRO 30 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2yuk h PRO 30 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2yuk h PRO 30 CO 0.09 0.47 0.04 0.28 -0.23 0.00 0.00 178.00 178.65 2yuk n VAL 31 N -4.86 0.96 -0.12 1.56 0.31 -1.26 -2.19 118.33 112.73 2yuk n VAL 31 Ca -0.08 0.75 -0.25 0.00 -0.01 0.00 0.00 64.34 64.74 2yuk n VAL 31 Cb 0.25 -1.75 -0.11 0.00 -0.91 0.00 0.00 33.84 31.33 2yuk n VAL 31 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2yuk n LEU 32 N -2.25 1.92 -0.07 7.52 7.94 -1.05 -3.71 117.00 127.30 2yuk n LEU 32 Ca -0.01 0.38 -0.08 0.00 -1.11 0.00 0.00 56.01 55.18 2yuk n LEU 32 Cb 0.07 -0.91 -0.02 0.00 0.53 0.00 0.00 43.42 43.10 2yuk n LEU 32 CO 0.09 0.41 0.66 0.22 -1.11 0.00 0.00 177.39 177.67 2yuk h TYR 33 N -0.98 -0.81 -0.52 1.96 5.03 -0.78 -1.52 116.97 119.36 2yuk h TYR 33 Ca -0.50 0.05 0.03 0.00 2.58 0.00 0.00 58.73 60.88 2yuk h TYR 33 Cb 1.45 0.40 -0.04 0.00 1.55 0.00 0.00 36.73 40.09 2yuk h TYR 33 CO 0.02 -0.36 0.30 1.79 -1.32 0.00 0.00 178.16 178.59 2yuk h THR 34 N -0.28 1.04 -0.90 1.81 1.35 -1.69 0.24 112.91 114.47 2yuk h THR 34 Ca 0.15 -0.21 0.22 0.00 -0.55 0.00 0.00 66.41 66.02 2yuk h THR 34 Cb 0.51 0.38 -0.12 0.00 -1.73 0.00 0.00 68.15 67.19 2yuk h THR 34 CO -0.45 0.11 0.41 0.78 -0.25 0.00 0.00 175.52 176.12 2yuk h ASN 35 N 0.60 0.37 0.00 5.36 2.35 -1.37 1.18 115.58 124.06 2yuk h ASN 35 Ca 0.21 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 2yuk h ASN 35 Cb 0.04 0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2yuk h ASN 35 CO -0.10 0.01 -0.11 0.40 -1.65 0.00 0.00 177.43 175.98 2yuk h ILE 36 N 0.42 0.00 -0.35 2.81 2.04 -0.84 -3.31 117.51 118.27 2yuk h ILE 36 Ca 0.56 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 66.01 2yuk h ILE 36 Cb 1.06 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 2yuk h ILE 36 CO -0.52 0.00 -0.23 0.78 0.00 0.00 0.00 178.15 178.19 2yuk h ASN 37 N -0.49 -0.75 -3.67 1.72 2.35 -0.49 -3.22 115.58 111.03 2yuk h ASN 37 Ca 0.00 0.15 -0.74 0.00 -0.55 0.00 0.00 56.30 55.17 2yuk h ASN 37 Cb 0.11 0.38 -0.32 0.00 0.05 0.00 0.00 38.32 38.54 2yuk h ASN 37 CO 0.00 -0.25 -0.02 -0.36 -1.65 0.00 0.00 177.43 175.15 2yuk s PHE 38 N -6.11 3.83 0.17 1.19 0.40 0.41 -4.89 117.98 112.98 2yuk s PHE 38 Ca -0.15 -2.72 -0.08 0.00 -0.60 0.00 0.00 56.93 53.39 2yuk s PHE 38 Cb 0.14 -3.45 0.04 0.00 0.51 0.00 0.00 43.02 40.26 2yuk s PHE 38 CO 0.69 -0.85 1.51 -1.00 0.70 0.00 0.00 175.22 176.28 2yuk h PRO 39 N 6.67 0.82 -0.54 0.24 0.13 -1.64 -2.90 132.00 134.79 2yuk h PRO 39 Ca 0.11 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2yuk h PRO 39 Cb 0.90 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2yuk h PRO 39 CO 0.83 1.07 0.00 0.09 -0.23 0.00 0.00 178.00 179.76 2yuk n ASN 40 N -4.05 2.62 -0.30 1.44 5.03 -1.26 -4.49 115.26 114.26 2yuk n ASN 40 Ca -0.02 -2.19 -0.07 0.00 0.87 0.00 0.00 54.58 53.18 2yuk n ASN 40 Cb 0.54 -0.39 -0.03 0.00 -1.02 0.00 0.00 39.78 38.89 2yuk n ASN 40 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2yuk h LEU 41 N 2.21 -1.60 -0.99 3.41 5.85 -1.85 0.40 115.31 122.75 2yuk h LEU 41 Ca 0.00 0.28 0.35 0.00 0.84 0.00 0.00 57.88 59.35 2yuk h LEU 41 Cb 0.81 0.75 -0.17 0.00 0.37 0.00 0.00 40.66 42.42 2yuk h LEU 41 CO 0.10 -0.30 0.37 0.07 -0.34 0.00 0.00 178.44 178.34 2yuk h LYS 42 N -0.12 0.07 0.91 1.25 2.10 -1.79 0.89 116.57 119.89 2yuk h LYS 42 Ca 0.22 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.83 2yuk h LYS 42 Cb 0.54 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 31.87 2yuk h LYS 42 CO -0.82 0.05 -0.44 0.93 -2.00 0.00 0.00 179.45 177.17 2yuk h GLU 43 N 0.07 -1.18 -0.95 0.07 4.39 -0.55 -1.31 114.58 115.14 2yuk h GLU 43 Ca 0.73 0.08 0.20 0.00 0.34 0.00 0.00 59.36 60.72 2yuk h GLU 43 Cb 1.77 0.27 -0.11 0.00 -0.10 0.00 0.00 28.75 30.57 2yuk h GLU 43 CO -0.78 -0.78 0.52 0.93 -1.16 0.00 0.00 179.01 177.74 2yuk h GLU 44 N -1.31 0.59 -2.96 2.33 5.08 -0.62 -3.31 114.58 114.38 2yuk h GLU 44 Ca -0.12 -0.04 -0.58 0.00 -1.00 0.00 0.00 59.36 57.62 2yuk h GLU 44 Cb 0.94 -0.13 -0.40 0.00 0.50 0.00 0.00 28.75 29.66 2yuk h GLU 44 CO 0.20 0.39 -0.78 -0.06 -1.00 0.00 0.00 179.01 177.76 2yuk s PHE 45 N -5.87 1.28 0.02 4.33 0.40 -0.14 -5.00 117.98 113.00 2yuk s PHE 45 Ca -0.11 -1.80 -0.22 0.00 -0.60 0.00 0.00 56.93 54.20 2yuk s PHE 45 Cb 0.25 -1.39 -0.17 0.00 0.51 0.00 0.00 43.02 42.22 2yuk s PHE 45 CO 0.79 -0.83 1.32 -1.00 0.70 0.00 0.00 175.22 176.20 2yuk h PRO 46 N 7.36 0.22 -6.29 0.24 0.13 -1.34 -3.40 132.00 128.92 2yuk h PRO 46 Ca -0.04 -0.12 -0.56 0.00 -0.87 0.00 0.00 66.00 64.41 2yuk h PRO 46 Cb 0.97 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 2yuk h PRO 46 CO 0.40 0.64 1.06 -0.51 -0.23 0.00 0.00 178.00 179.36 2yuk s ASP 47 N -5.96 6.54 0.11 1.44 1.01 -1.26 -4.91 116.67 113.64 2yuk s ASP 47 Ca -0.15 1.55 -0.33 0.00 0.71 0.00 0.00 52.55 54.34 2yuk s ASP 47 Cb 0.04 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.31 2yuk s ASP 47 CO 0.72 -1.13 1.53 -0.25 0.21 0.00 0.00 175.17 176.25 2yuk h TRP 48 N 9.99 -1.56 -0.71 4.23 2.91 -1.98 0.47 115.95 129.30 2yuk h TRP 48 Ca -0.31 0.06 0.21 0.00 1.13 0.00 0.00 58.89 59.97 2yuk h TRP 48 Cb 1.13 0.70 -0.03 0.00 -0.51 0.00 0.00 29.16 30.45 2yuk h TRP 48 CO 0.89 -0.53 1.04 1.15 -1.03 0.00 0.00 178.44 179.96 2yuk h THR 49 N -0.56 0.05 0.00 2.65 2.02 -1.97 1.67 112.91 116.76 2yuk h THR 49 Ca 0.03 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.89 2yuk h THR 49 Cb 0.65 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 2yuk h THR 49 CO -0.42 0.00 -2.31 0.41 0.37 0.00 0.00 175.52 173.57 2yuk n THR 50 N -3.14 1.21 -0.05 3.16 -1.04 0.89 -4.36 114.28 110.94 2yuk n THR 50 Ca 0.16 -0.81 -0.13 0.00 -2.04 0.00 0.00 64.05 61.22 2yuk n THR 50 Cb 1.26 -0.41 -0.12 0.00 -1.82 0.00 0.00 70.33 69.24 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 0.00 -0.00 -0.91 -2.82 2.43 0.65 -3.32 114.38 110.42 2yuk h ARG 51 Ca -0.47 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 58.96 2yuk h ARG 51 Cb 2.07 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 31.47 2yuk h ARG 51 CO 0.03 0.83 0.24 -0.24 -1.51 0.00 0.00 179.97 179.31 2yuk h VAL 52 N -0.86 0.25 -0.93 0.20 3.04 -0.57 0.70 116.25 118.09 2yuk h VAL 52 Ca -0.00 -0.06 0.13 0.00 -1.01 0.00 0.00 66.70 65.76 2yuk h VAL 52 Cb 0.84 0.07 -0.07 0.00 -2.01 0.00 0.00 31.29 30.11 2yuk h VAL 52 CO 0.00 0.03 0.59 0.11 -1.01 0.00 0.00 177.57 177.29 2yuk h LYS 53 N 0.17 0.78 0.58 4.17 1.57 -1.76 -2.74 116.57 119.34 2yuk h LYS 53 Ca 0.58 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.29 2yuk h LYS 53 Cb 1.22 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.36 2yuk h LYS 53 CO -0.70 0.52 -0.28 1.96 -0.57 0.00 0.00 179.45 180.38 2yuk h GLN 54 N 0.81 -0.75 -1.26 3.15 1.08 0.30 -2.80 115.11 115.64 2yuk h GLN 54 Ca 0.46 0.05 0.41 0.00 -1.45 0.00 0.00 58.65 58.13 2yuk h GLN 54 Cb 0.62 0.17 -0.10 0.00 -0.05 0.00 0.00 27.48 28.11 2yuk h GLN 54 CO -0.22 -0.47 0.84 -0.89 -0.95 0.00 0.00 178.83 177.13 2yuk n ILE 55 N -5.30 -0.16 -0.04 2.54 5.41 -0.92 0.12 119.36 121.02 2yuk n ILE 55 Ca -0.10 1.42 -0.13 0.00 1.00 0.00 0.00 62.75 64.94 2yuk n ILE 55 Cb 0.32 -2.33 -0.11 0.00 -0.71 0.00 0.00 39.64 36.80 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 1.19 -0.02 -0.78 -1.39 0.00 -1.45 -1.80 119.26 115.01 2yuk h ALA 56 Ca 0.74 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 55.31 2yuk h ALA 56 Cb 2.53 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 20.28 2yuk h ALA 56 CO -0.29 -0.11 0.51 1.57 0.00 0.00 0.00 179.25 180.93 2yuk h LYS 57 N -0.82 0.94 0.00 0.00 5.09 0.13 0.27 116.57 122.17 2yuk h LYS 57 Ca -0.00 -0.06 -0.12 0.00 0.09 0.00 0.00 60.65 60.56 2yuk h LYS 57 Cb 0.75 -0.21 -0.02 0.00 0.10 0.00 0.00 32.23 32.85 2yuk h LYS 57 CO 0.00 0.62 -0.59 -0.07 -2.09 0.00 0.00 179.45 177.32 2yuk h LEU 58 N 0.97 0.00 0.16 7.07 3.38 -0.75 -2.68 115.31 123.46 2yuk h LEU 58 Ca 0.31 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.00 2yuk h LEU 58 Cb 0.03 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.81 2yuk h LEU 58 CO -0.09 0.59 -1.18 -0.25 0.09 0.00 0.00 178.44 177.60 2yuk h TRP 59 N 0.00 0.88 0.12 1.13 2.91 -0.32 -3.26 115.95 117.41 2yuk h TRP 59 Ca -0.01 -0.60 -0.01 0.00 1.13 0.00 0.00 58.89 59.41 2yuk h TRP 59 Cb 1.27 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.87 2yuk h TRP 59 CO 0.00 1.45 -0.06 0.00 -1.03 0.00 0.00 178.44 178.80 2yuk h ARG 60 N 0.07 -0.15 -0.23 2.65 3.08 -0.57 -2.56 114.38 116.66 2yuk h ARG 60 Ca -0.19 0.01 0.07 0.00 0.07 0.00 0.00 59.98 59.93 2yuk h ARG 60 Cb 1.90 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.97 2yuk h ARG 60 CO 0.22 0.11 0.45 1.57 -1.07 0.00 0.00 179.97 181.25 2yuk h LYS 61 N -0.40 0.00 -6.66 0.04 2.10 -1.61 -3.41 116.57 106.63 2yuk h LYS 61 Ca -0.02 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.11 2yuk h LYS 61 Cb 0.33 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.68 2yuk h LYS 61 CO 0.03 0.00 0.58 0.00 -2.00 0.00 0.00 179.45 178.06 2yuk s ALA 62 N -4.34 3.46 0.64 0.07 0.00 -0.97 -5.01 121.76 115.61 2yuk s ALA 62 Ca -0.04 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 2yuk s ALA 62 Cb 0.12 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 2yuk s ALA 62 CO 0.39 -0.42 1.10 -1.12 0.00 0.00 0.00 175.76 175.72 2yuk s SER 63 N 0.21 5.26 0.22 0.00 0.01 -1.26 -4.86 113.70 113.28 2yuk s SER 63 Ca 0.54 1.99 -0.07 0.00 1.31 0.00 0.00 55.95 59.72 2yuk s SER 63 Cb -0.34 -2.55 0.33 0.00 0.21 0.00 0.00 66.02 63.67 2yuk s SER 63 CO 0.37 -1.53 1.77 0.28 0.41 0.00 0.00 173.24 174.54 2yuk h SER 64 N 0.20 0.41 0.26 2.44 0.02 -1.94 0.35 113.55 115.29 2yuk h SER 64 Ca -0.47 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2yuk h SER 64 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2yuk h SER 64 CO 0.55 0.23 0.00 0.00 -1.14 0.00 0.00 176.83 176.47 2yuk n GLN 65 N -4.90 0.03 0.00 3.45 3.00 -1.26 -1.81 117.38 115.91 2yuk n GLN 65 Ca 0.11 0.41 -0.18 0.00 -0.01 0.00 0.00 57.00 57.33 2yuk n GLN 65 Cb 0.28 -1.59 -0.14 0.00 0.00 0.00 0.00 30.24 28.79 2yuk n GLN 65 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2yuk n GLU 66 N -1.66 0.73 0.22 -1.09 2.13 0.12 -4.06 120.64 117.04 2yuk n GLU 66 Ca 0.01 0.27 0.13 0.00 0.66 0.00 0.00 57.16 58.24 2yuk n GLU 66 Cb 0.09 -1.74 0.25 0.00 0.27 0.00 0.00 31.44 30.31 2yuk n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2yuk h ARG 67 N 0.06 0.00 -0.64 5.31 3.08 -0.89 -3.36 114.38 117.94 2yuk h ARG 67 Ca -0.39 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.73 2yuk h ARG 67 Cb 2.03 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 32.00 2yuk h ARG 67 CO 0.09 0.00 -0.35 0.00 -1.07 0.00 0.00 179.97 178.64 2yuk n ALA 68 N -2.09 -0.33 0.01 0.04 0.00 -0.75 0.18 120.51 117.58 2yuk n ALA 68 Ca 0.04 0.57 -0.13 0.00 0.00 0.00 0.00 53.44 53.91 2yuk n ALA 68 Cb 0.50 -0.13 -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 -0.07 0.00 0.00 0.13 -1.84 -2.77 132.00 127.44 2yuk h PRO 69 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2yuk h PRO 69 Cb 0.29 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.44 2yuk h PRO 69 CO -0.61 0.40 0.00 0.66 -0.23 0.00 0.00 178.00 178.22 2yuk n TYR 70 N -4.89 0.67 0.05 1.56 4.01 0.08 -0.19 117.16 118.45 2yuk n TYR 70 Ca -0.08 0.35 -0.21 0.00 -0.16 0.00 0.00 57.90 57.79 2yuk n TYR 70 Cb 0.25 -1.05 -0.14 0.00 -0.31 0.00 0.00 39.34 38.08 2yuk n TYR 70 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2yuk h VAL 71 N 0.00 0.88 0.15 -0.72 2.07 0.21 -3.28 116.25 115.56 2yuk h VAL 71 Ca 0.00 -2.52 -0.25 0.00 0.82 0.00 0.00 66.70 64.75 2yuk h VAL 71 Cb 0.02 2.68 0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2yuk h VAL 71 CO 0.00 0.85 -1.21 -0.61 0.02 0.00 0.00 177.57 176.62 2yuk h GLN 72 N 0.09 0.31 -0.53 1.57 5.75 -0.98 -3.34 115.11 117.99 2yuk h GLN 72 Ca -0.35 -0.54 0.09 0.00 -0.15 0.00 0.00 58.65 57.71 2yuk h GLN 72 Cb 2.07 0.20 -0.08 0.00 1.07 0.00 0.00 27.48 30.74 2yuk h GLN 72 CO 0.15 1.26 0.10 -0.22 -2.65 0.00 0.00 178.83 177.46 2yuk h LYS 73 N -0.25 0.23 -0.76 1.69 3.64 -0.77 -1.11 116.57 119.24 2yuk h LYS 73 Ca -0.24 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.28 2yuk h LYS 73 Cb 1.79 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 33.46 2yuk h LYS 73 CO 0.13 0.15 0.29 0.00 -2.27 0.00 0.00 179.45 177.74 2yuk h ALA 74 N 1.42 1.07 -0.60 5.00 0.00 -1.70 0.21 119.26 124.66 2yuk h ALA 74 Ca 0.27 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 2yuk h ALA 74 Cb 0.37 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2yuk h ALA 74 CO -0.36 -0.24 0.10 0.00 0.00 0.00 0.00 179.25 178.75 2yuk h ARG 75 N 0.41 1.00 -0.40 0.00 3.08 -1.35 -2.82 114.38 114.29 2yuk h ARG 75 Ca 0.42 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 2yuk h ARG 75 Cb 0.67 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2yuk h ARG 75 CO -0.43 0.94 -0.10 0.22 -1.07 0.00 0.00 179.97 179.53 2yuk h ASP 76 N 0.90 0.68 -0.58 7.04 3.58 -0.23 -2.70 116.42 125.11 2yuk h ASP 76 Ca 0.18 -0.19 0.04 0.00 0.42 0.00 0.00 57.03 57.49 2yuk h ASP 76 Cb 0.43 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 2yuk h ASP 76 CO 0.01 0.81 0.39 0.78 -2.88 0.00 0.00 179.24 178.35 2yuk h ASN 77 N 0.64 0.54 -0.40 2.28 2.35 -0.41 -1.21 115.58 119.37 2yuk h ASN 77 Ca 0.11 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2yuk h ASN 77 Cb 0.54 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 2yuk h ASN 77 CO 0.03 0.37 0.14 0.03 -1.65 0.00 0.00 177.43 176.35 2yuk h ARG 78 N 0.63 0.67 0.04 0.81 3.08 -1.36 -2.94 114.38 115.30 2yuk h ARG 78 Ca 0.24 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2yuk h ARG 78 Cb 0.17 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2yuk h ARG 78 CO -0.07 0.59 -0.02 0.00 -1.07 0.00 0.00 179.97 179.40 2yuk h ALA 79 N 1.50 -0.05 -0.96 0.04 0.00 -1.26 -2.99 119.26 115.54 2yuk h ALA 79 Ca 0.15 -0.13 0.27 0.00 0.00 0.00 0.00 54.91 55.21 2yuk h ALA 79 Cb 0.20 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.83 2yuk h ALA 79 CO -0.01 -0.41 0.06 0.00 0.00 0.00 0.00 179.25 178.90 2yuk h ALA 80 N 0.66 1.19 0.09 0.00 0.00 -1.34 0.25 119.26 120.11 2yuk h ALA 80 Ca -0.00 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2yuk h ALA 80 Cb 0.27 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2yuk h ALA 80 CO 0.01 -0.57 -0.04 -0.07 0.00 0.00 0.00 179.25 178.58 2yuk h LEU 81 N 0.03 -0.10 -0.91 0.00 3.38 -1.56 -2.41 115.31 113.74 2yuk h LEU 81 Ca 0.59 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.57 2yuk h LEU 81 Cb 1.23 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.86 2yuk h LEU 81 CO -0.88 0.07 -0.42 -0.09 0.09 0.00 0.00 178.44 177.21 2yuk h ARG 82 N -0.26 -0.04 -0.64 1.13 2.43 -0.37 0.31 114.38 116.94 2yuk h ARG 82 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2yuk h ARG 82 Cb 0.22 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2yuk h ARG 82 CO 0.02 -0.03 0.39 0.82 -1.51 0.00 0.00 179.97 179.66 2yuk h ILE 83 N -0.04 1.18 -2.82 1.20 5.03 -1.41 -3.35 117.51 117.30 2yuk h ILE 83 Ca 0.29 -0.40 -0.70 0.00 -0.12 0.00 0.00 64.86 63.93 2yuk h ILE 83 Cb 0.56 0.30 -0.19 0.00 -3.03 0.00 0.00 36.82 34.46 2yuk h ILE 83 CO -0.92 0.19 0.46 0.20 -0.68 0.00 0.00 178.15 177.41 2yuk s ASN 84 N -5.86 6.46 -0.54 1.72 -0.87 0.11 -4.98 114.94 110.97 2yuk s ASN 84 Ca -0.13 -1.84 -0.26 0.00 -1.57 0.00 0.00 52.86 49.06 2yuk s ASN 84 Cb 0.13 -2.34 -0.08 0.00 -0.02 0.00 0.00 41.25 38.94 2yuk s ASN 84 CO 0.77 -1.05 2.40 -0.54 -2.57 0.00 0.00 177.10 176.12 2yuk s LYS 85 N 2.45 2.01 0.39 -0.60 1.02 -1.24 -4.71 119.74 119.06 2yuk s LYS 85 Ca 0.23 1.25 0.08 0.00 0.02 0.00 0.00 55.97 57.54 2yuk s LYS 85 Cb -0.13 -4.62 -0.07 0.00 -0.52 0.00 0.00 37.83 32.50 2yuk s LYS 85 CO -0.02 -3.48 0.02 0.14 -0.92 0.00 0.00 175.35 171.09 2yuk s VAL 86 N 12.63 2.20 -0.71 3.17 -7.23 -1.26 -5.06 120.40 124.14 2yuk s VAL 86 Ca 0.96 -1.99 -0.26 0.00 -1.81 0.00 0.00 61.98 58.89 2yuk s VAL 86 Cb -0.16 -2.90 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 2yuk s VAL 86 CO 0.23 -0.07 1.78 -1.10 -0.31 0.00 0.00 175.10 175.63 2yuk s GLN 87 N -3.72 2.73 0.08 4.82 -1.52 -1.26 -4.92 119.66 115.86 2yuk s GLN 87 Ca 0.36 0.22 -0.07 0.00 -1.95 0.00 0.00 55.36 53.92 2yuk s GLN 87 Cb 0.06 -4.55 -0.01 0.00 -0.22 0.00 0.00 33.01 28.29 2yuk s GLN 87 CO 0.19 -2.77 0.14 0.00 -0.25 0.00 0.00 175.29 172.60 2yuk s MET 88 N 6.77 0.79 -0.03 2.91 0.23 -1.26 -5.16 119.30 123.54 2yuk s MET 88 Ca 0.63 -1.01 0.01 0.00 -1.03 0.00 0.00 55.69 54.28 2yuk s MET 88 Cb -0.10 0.31 0.03 0.00 -1.53 0.00 0.00 34.83 33.54 2yuk s MET 88 CO 0.14 -0.23 -0.01 -1.12 -2.03 0.00 0.00 175.02 171.77 2yuk s SER 89 N -2.87 0.58 0.00 -1.18 0.01 -1.26 -5.26 113.70 103.72 2yuk s SER 89 Ca 0.05 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2yuk s SER 89 Cb 0.05 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2yuk s SER 89 CO -0.11 -0.09 0.24 0.59 0.41 0.00 0.00 173.24 174.29