#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 6.57 -0.30 1.61 0.15 -1.26 -5.03 113.70 115.44 2yuk s SER 2 Ca 0.00 0.69 -0.14 0.00 0.70 0.00 0.00 55.95 57.20 2yuk s SER 2 Cb 0.00 -2.29 0.14 0.00 -1.71 0.00 0.00 66.02 62.17 2yuk s SER 2 CO 0.00 -0.15 0.87 -0.94 1.20 0.00 0.00 173.24 174.22 2yuk s SER 3 N 1.07 -0.75 -0.28 5.45 1.04 -1.26 -5.02 113.70 113.95 2yuk s SER 3 Ca 0.24 1.07 -0.01 0.00 0.48 0.00 0.00 55.95 57.73 2yuk s SER 3 Cb -0.15 1.72 -0.01 0.00 0.10 0.00 0.00 66.02 67.67 2yuk s SER 3 CO 0.10 -0.16 0.25 0.61 0.98 0.00 0.00 173.24 175.02 2yuk n GLY 4 N 4.79 0.06 3.58 7.32 0.00 -1.26 -4.87 105.19 114.81 2yuk n GLY 4 Ca -0.13 -0.02 -0.59 0.00 0.00 0.00 0.00 46.02 45.29 2yuk n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yuk n SER 5 N -1.78 1.83 -2.69 1.61 3.41 -1.26 -4.80 113.62 109.93 2yuk n SER 5 Ca -0.01 0.89 -0.29 0.00 -0.26 0.00 0.00 58.87 59.20 2yuk n SER 5 Cb 0.52 -1.07 -0.06 0.00 -0.26 0.00 0.00 64.21 63.35 2yuk n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yuk n SER 6 N 6.42 6.77 0.05 4.04 2.88 -1.26 -4.11 113.62 128.41 2yuk n SER 6 Ca 0.36 -3.10 0.00 0.00 -1.33 0.00 0.00 58.87 54.80 2yuk n SER 6 Cb 0.08 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.25 2yuk n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuk n GLY 7 N 1.31 -0.71 2.73 0.46 0.00 -1.26 -5.09 105.19 102.64 2yuk n GLY 7 Ca 0.52 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.94 3.41 -0.11 1.61 2.20 -1.26 -5.10 114.94 112.75 2yuk s ASN 8 Ca 0.00 -1.16 -0.29 0.00 -0.94 0.00 0.00 52.86 50.47 2yuk s ASN 8 Cb 0.00 -0.71 -0.06 0.00 -2.00 0.00 0.00 41.25 38.48 2yuk s ASN 8 CO 0.00 -0.35 1.96 0.00 -2.94 0.00 0.00 177.10 175.77 2yuk s ALA 9 N 1.76 3.24 0.32 3.54 0.00 -1.26 -4.86 121.76 124.49 2yuk s ALA 9 Ca 0.03 0.94 0.08 0.00 0.00 0.00 0.00 51.96 53.01 2yuk s ALA 9 Cb -0.17 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 18.99 2yuk s ALA 9 CO -0.16 -2.05 0.18 -0.65 0.00 0.00 0.00 175.76 173.08 2yuk s GLN 10 N 5.10 2.56 -0.42 0.00 -0.21 -1.26 -5.03 119.66 120.40 2yuk s GLN 10 Ca 0.88 -1.38 -0.44 0.00 0.02 0.00 0.00 55.36 54.44 2yuk s GLN 10 Cb -0.35 -2.33 -0.18 0.00 1.00 0.00 0.00 33.01 31.15 2yuk s GLN 10 CO 0.36 0.18 1.77 0.54 -2.12 0.00 0.00 175.29 176.02 2yuk n ARG 11 N -1.20 0.44 -2.59 2.91 5.12 -1.26 -4.87 116.66 115.22 2yuk n ARG 11 Ca -0.04 0.16 -0.04 0.00 -1.93 0.00 0.00 57.85 56.00 2yuk n ARG 11 Cb 0.60 -1.76 0.01 0.00 -1.16 0.00 0.00 32.46 30.16 2yuk n ARG 11 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2yuk n SER 12 N 5.37 -1.18 -0.28 0.55 2.88 -1.26 -5.03 113.62 114.68 2yuk n SER 12 Ca 0.34 -1.77 0.14 0.00 -1.33 0.00 0.00 58.87 56.25 2yuk n SER 12 Cb 0.02 1.95 0.39 0.00 -0.75 0.00 0.00 64.21 65.83 2yuk n SER 12 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2yuk h THR 13 N 1.54 0.78 -0.21 2.46 1.35 -2.01 0.14 112.91 116.96 2yuk h THR 13 Ca -0.17 -0.22 0.06 0.00 -0.55 0.00 0.00 66.41 65.52 2yuk h THR 13 Cb 0.67 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 2yuk h THR 13 CO 0.22 0.12 0.50 -0.07 -0.25 0.00 0.00 175.52 176.04 2yuk h LEU 14 N 0.65 0.00 0.00 3.87 3.38 -1.95 -0.74 115.31 120.52 2yuk h LEU 14 Ca 0.48 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.34 2yuk h LEU 14 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2yuk h LEU 14 CO -0.23 0.00 -0.64 0.50 0.09 0.00 0.00 178.44 178.16 2yuk h LYS 15 N 0.00 0.00 -1.07 1.13 3.11 -1.07 -3.36 116.57 115.32 2yuk h LYS 15 Ca 0.10 0.00 0.42 0.00 -2.81 0.00 0.00 60.65 58.36 2yuk h LYS 15 Cb 1.10 0.00 -0.17 0.00 -1.00 0.00 0.00 32.23 32.16 2yuk h LYS 15 CO -0.00 0.89 0.61 -1.49 -2.81 0.00 0.00 179.45 176.64 2yuk h TRP 16 N -1.00 0.78 -0.77 1.91 4.06 -1.13 0.81 115.95 120.62 2yuk h TRP 16 Ca -0.17 0.04 0.15 0.00 2.06 0.00 0.00 58.89 60.97 2yuk h TRP 16 Cb 1.06 -0.18 -0.10 0.00 -1.00 0.00 0.00 29.16 28.94 2yuk h TRP 16 CO 0.15 -0.41 0.32 1.49 -3.56 0.00 0.00 178.44 176.43 2yuk h GLU 17 N 0.04 0.45 -0.40 0.49 4.57 -1.66 0.45 114.58 118.52 2yuk h GLU 17 Ca 0.84 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 59.00 2yuk h GLU 17 Cb 2.28 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 30.75 2yuk h GLU 17 CO -0.69 0.30 0.25 0.87 -1.18 0.00 0.00 179.01 178.55 2yuk h LYS 18 N 0.46 0.50 -0.05 1.92 6.56 0.46 -2.32 116.57 124.10 2yuk h LYS 18 Ca 0.43 -0.03 -0.12 0.00 -1.06 0.00 0.00 60.65 59.87 2yuk h LYS 18 Cb 0.65 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.19 2yuk h LYS 18 CO -0.41 0.33 -0.51 0.93 -2.06 0.00 0.00 179.45 177.73 2yuk h GLU 19 N 0.51 0.14 -0.27 3.15 4.39 -1.12 -2.91 114.58 118.47 2yuk h GLU 19 Ca 0.15 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 59.85 2yuk h GLU 19 Cb -0.03 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2yuk h GLU 19 CO -0.05 0.63 0.20 0.93 -1.16 0.00 0.00 179.01 179.55 2yuk h GLU 20 N 0.11 0.01 0.00 2.33 5.08 0.40 0.72 114.58 123.24 2yuk h GLU 20 Ca 0.00 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 2yuk h GLU 20 Cb 0.95 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2yuk h GLU 20 CO 0.07 0.00 -0.50 0.00 -1.00 0.00 0.00 179.01 177.59 2yuk h ALA 21 N 1.86 0.80 0.00 3.43 0.00 -1.32 -2.97 119.26 121.06 2yuk h ALA 21 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2yuk h ALA 21 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2yuk h ALA 21 CO -0.00 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.15 2yuk n LEU 22 N -3.41 0.42 0.00 0.00 4.77 0.22 -4.95 117.00 114.05 2yuk n LEU 22 Ca 0.01 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2yuk n LEU 22 Cb 0.64 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2yuk n LEU 22 CO 0.39 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2yuk n GLY 23 N 1.27 3.03 0.13 -0.72 0.00 -1.04 0.08 105.19 107.93 2yuk n GLY 23 Ca 0.06 0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.45 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 10.46 0.10 -0.25 1.61 1.02 -1.26 0.18 120.64 132.50 2yuk n GLU 24 Ca 0.00 0.59 0.10 0.00 -0.02 0.00 0.00 57.16 57.84 2yuk n GLU 24 Cb 0.00 -1.87 0.27 0.00 -0.02 0.00 0.00 31.44 29.81 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 -2.06 2.35 -1.66 3.49 2.81 0.11 -4.97 117.12 117.20 2yuk n MET 25 Ca -0.01 -2.08 -0.50 0.00 -1.81 0.00 0.00 57.70 53.30 2yuk n MET 25 Cb 0.06 -1.47 -0.05 0.00 -0.71 0.00 0.00 33.22 31.04 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 1.22 0.34 0.91 3.04 0.00 0.13 -4.82 120.51 121.31 2yuk n ALA 26 Ca 0.20 0.41 0.01 0.00 0.00 0.00 0.00 53.44 54.06 2yuk n ALA 26 Cb 0.51 -2.29 0.06 0.00 0.00 0.00 0.00 19.45 17.74 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 3.83 0.39 -4.30 0.00 -2.24 -1.26 -4.49 114.28 106.20 2yuk n THR 27 Ca 0.21 -0.22 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 2yuk n THR 27 Cb 0.23 -0.33 -0.11 0.00 -2.10 0.00 0.00 70.33 68.02 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 -1.42 1.66 -0.03 2.28 1.01 -1.26 -4.56 120.40 118.08 2yuk s VAL 28 Ca 0.09 -1.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.01 2yuk s VAL 28 Cb 0.06 -1.74 -0.13 0.00 0.00 0.00 0.00 36.38 34.56 2yuk s VAL 28 CO 0.03 -0.34 0.90 0.00 0.00 0.00 0.00 175.10 175.69 2yuk h ALA 29 N 3.35 -0.44 -0.12 5.51 0.00 -1.88 -2.50 119.26 123.17 2yuk h ALA 29 Ca -0.42 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 2yuk h ALA 29 Cb 1.20 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2yuk h ALA 29 CO 0.51 -0.49 -0.12 -1.00 0.00 0.00 0.00 179.25 178.15 2yuk h PRO 30 N -0.97 0.30 0.00 0.00 0.13 -1.92 -1.28 132.00 128.25 2yuk h PRO 30 Ca -0.05 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2yuk h PRO 30 Cb 0.51 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 2yuk h PRO 30 CO 0.07 0.70 -0.02 0.28 -0.23 0.00 0.00 178.00 178.80 2yuk h VAL 31 N -0.09 0.26 0.00 1.56 2.07 -1.91 -2.77 116.25 115.37 2yuk h VAL 31 Ca 0.02 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 2yuk h VAL 31 Cb 0.64 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2yuk h VAL 31 CO 0.03 0.02 -0.68 0.25 0.02 0.00 0.00 177.57 177.20 2yuk h LEU 32 N 0.00 0.00 -0.78 2.57 5.85 -1.32 -3.19 115.31 118.43 2yuk h LEU 32 Ca -0.00 -0.44 0.14 0.00 0.84 0.00 0.00 57.88 58.43 2yuk h LEU 32 Cb 0.07 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 40.96 2yuk h LEU 32 CO 0.00 1.11 -0.28 0.22 -0.34 0.00 0.00 178.44 179.15 2yuk h TYR 33 N -1.00 -0.71 -0.46 1.25 5.03 -1.05 0.15 116.97 120.19 2yuk h TYR 33 Ca -0.16 0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.22 2yuk h TYR 33 Cb 0.91 0.43 -0.02 0.00 1.55 0.00 0.00 36.73 39.60 2yuk h TYR 33 CO 0.05 -0.37 0.22 1.79 -1.32 0.00 0.00 178.16 178.53 2yuk h THR 34 N -0.05 1.18 -1.01 1.81 1.35 -1.68 0.31 112.91 114.83 2yuk h THR 34 Ca 0.34 -0.51 0.23 0.00 -0.55 0.00 0.00 66.41 65.92 2yuk h THR 34 Cb 0.58 0.68 -0.12 0.00 -1.73 0.00 0.00 68.15 67.56 2yuk h THR 34 CO -0.82 0.20 0.60 0.78 -0.25 0.00 0.00 175.52 176.03 2yuk h ASN 35 N 0.59 0.70 0.00 5.36 2.35 -0.72 0.78 115.58 124.65 2yuk h ASN 35 Ca 0.16 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2yuk h ASN 35 Cb 0.11 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2yuk h ASN 35 CO -0.02 0.14 -0.20 0.40 -1.65 0.00 0.00 177.43 176.10 2yuk h ILE 36 N 0.62 0.00 -0.39 2.81 2.04 -0.95 -3.35 117.51 118.28 2yuk h ILE 36 Ca 0.63 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 66.11 2yuk h ILE 36 Cb 1.16 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.16 2yuk h ILE 36 CO -0.45 0.00 -0.26 0.78 0.00 0.00 0.00 178.15 178.22 2yuk h ASN 37 N -0.47 -0.87 -3.84 1.72 2.35 -0.36 -3.24 115.58 110.88 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 0.20 0.43 -0.31 0.00 0.05 0.00 0.00 38.32 38.69 2yuk h ASN 37 CO 0.00 -0.28 -0.06 -0.36 -1.65 0.00 0.00 177.43 175.08 2yuk s PHE 38 N -6.07 3.72 0.10 1.19 0.40 0.27 -4.90 117.98 112.68 2yuk s PHE 38 Ca -0.15 -2.52 -0.15 0.00 -0.60 0.00 0.00 56.93 53.52 2yuk s PHE 38 Cb 0.14 -3.50 -0.08 0.00 0.51 0.00 0.00 43.02 40.09 2yuk s PHE 38 CO 0.69 -0.89 1.43 -1.00 0.70 0.00 0.00 175.22 176.15 2yuk h PRO 39 N 7.06 0.71 -0.47 0.24 0.13 -1.66 -2.98 132.00 135.03 2yuk h PRO 39 Ca 0.08 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 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 0.99 0.00 0.09 -0.23 0.00 0.00 178.00 179.63 2yuk n ASN 40 N -4.26 2.23 -0.38 1.44 3.02 -1.26 -4.48 115.26 111.57 2yuk n ASN 40 Ca -0.04 -2.11 -0.04 0.00 -0.03 0.00 0.00 54.58 52.36 2yuk n ASN 40 Cb 0.47 -0.32 -0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 2.01 -1.63 -0.97 3.41 5.85 -1.86 0.64 115.31 122.77 2yuk h LEU 41 Ca 0.00 0.31 0.32 0.00 0.84 0.00 0.00 57.88 59.35 2yuk h LEU 41 Cb 0.66 0.80 -0.17 0.00 0.37 0.00 0.00 40.66 42.32 2yuk h LEU 41 CO 0.06 -0.28 0.35 0.07 -0.34 0.00 0.00 178.44 178.30 2yuk h LYS 42 N -0.02 0.11 0.76 1.25 2.10 -1.78 -0.32 116.57 118.67 2yuk h LYS 42 Ca 0.28 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.89 2yuk h LYS 42 Cb 0.55 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 31.86 2yuk h LYS 42 CO -0.95 0.07 -0.37 0.93 -2.00 0.00 0.00 179.45 177.14 2yuk h GLU 43 N 0.11 -0.99 -0.94 0.07 4.39 -0.06 -1.55 114.58 115.63 2yuk h GLU 43 Ca 0.70 0.07 0.27 0.00 0.34 0.00 0.00 59.36 60.74 2yuk h GLU 43 Cb 1.63 0.22 -0.14 0.00 -0.10 0.00 0.00 28.75 30.36 2yuk h GLU 43 CO -0.75 -0.66 0.40 0.93 -1.16 0.00 0.00 179.01 177.77 2yuk h GLU 44 N -1.09 0.28 -2.98 2.33 4.39 -0.82 -3.27 114.58 113.42 2yuk h GLU 44 Ca -0.10 -0.02 -0.58 0.00 0.34 0.00 0.00 59.36 59.00 2yuk h GLU 44 Cb 0.78 -0.06 -0.40 0.00 -0.10 0.00 0.00 28.75 28.97 2yuk h GLU 44 CO 0.17 0.19 -0.78 -0.06 -1.16 0.00 0.00 179.01 177.37 2yuk s PHE 45 N -5.81 1.30 0.04 4.33 0.40 -0.44 -5.00 117.98 112.79 2yuk s PHE 45 Ca -0.11 -1.79 -0.21 0.00 -0.60 0.00 0.00 56.93 54.22 2yuk s PHE 45 Cb 0.28 -1.41 -0.14 0.00 0.51 0.00 0.00 43.02 42.25 2yuk s PHE 45 CO 0.78 -0.83 1.35 -1.00 0.70 0.00 0.00 175.22 176.22 2yuk h PRO 46 N 7.40 0.34 -6.37 0.24 0.13 -1.34 -3.41 132.00 128.98 2yuk h PRO 46 Ca -0.05 -0.18 -0.57 0.00 -0.87 0.00 0.00 66.00 64.33 2yuk h PRO 46 Cb 0.97 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 2yuk h PRO 46 CO 0.41 0.72 1.20 -0.51 -0.23 0.00 0.00 178.00 179.59 2yuk s ASP 47 N -6.10 6.07 0.10 1.44 1.11 -1.26 -4.89 116.67 113.14 2yuk s ASP 47 Ca -0.14 1.13 -0.24 0.00 0.18 0.00 0.00 52.55 53.47 2yuk s ASP 47 Cb 0.05 -2.53 -0.08 0.00 1.07 0.00 0.00 42.92 41.43 2yuk s ASP 47 CO 0.75 -1.60 1.41 -0.25 1.18 0.00 0.00 175.17 176.66 2yuk h TRP 48 N 12.02 -1.32 -1.11 4.23 -0.00 -1.97 0.74 115.95 128.54 2yuk h TRP 48 Ca -0.31 0.07 0.32 0.00 -0.00 0.00 0.00 58.89 58.97 2yuk h TRP 48 Cb 1.14 0.63 -0.04 0.00 -0.00 0.00 0.00 29.16 30.89 2yuk h TRP 48 CO 0.96 -0.35 1.20 1.15 -0.00 0.00 0.00 178.44 181.41 2yuk h THR 49 N -0.23 0.02 0.01 2.65 2.02 -1.97 1.38 112.91 116.79 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 0.42 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.80 2yuk h THR 49 CO -0.51 0.00 -2.31 0.41 0.37 0.00 0.00 175.52 173.48 2yuk n THR 50 N -3.35 1.47 0.00 3.16 -1.04 0.20 -4.40 114.28 110.33 2yuk n THR 50 Ca 0.25 -0.75 -0.13 0.00 -2.04 0.00 0.00 64.05 61.38 2yuk n THR 50 Cb 1.54 -0.89 -0.10 0.00 -1.82 0.00 0.00 70.33 69.06 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 -0.06 -0.99 -2.82 2.43 0.69 -3.28 114.38 110.36 2yuk h ARG 51 Ca -0.52 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 58.85 2yuk h ARG 51 Cb 2.11 0.01 -0.19 0.00 -0.42 0.00 0.00 29.97 31.48 2yuk h ARG 51 CO 0.00 0.48 -0.25 -0.24 -1.51 0.00 0.00 179.97 178.45 2yuk h VAL 52 N -0.64 0.01 -0.97 0.20 3.04 -0.54 1.23 116.25 118.58 2yuk h VAL 52 Ca -0.01 0.00 0.21 0.00 -1.01 0.00 0.00 66.70 65.89 2yuk h VAL 52 Cb 0.56 0.01 -0.09 0.00 -2.01 0.00 0.00 31.29 29.77 2yuk h VAL 52 CO 0.01 0.00 0.62 0.11 -1.01 0.00 0.00 177.57 177.30 2yuk h LYS 53 N -0.00 0.56 -0.36 4.17 1.57 -1.76 0.23 116.57 120.98 2yuk h LYS 53 Ca 0.47 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.14 2yuk h LYS 53 Cb 0.72 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2yuk h LYS 53 CO -1.02 0.37 -0.08 1.96 -0.57 0.00 0.00 179.45 180.11 2yuk h GLN 54 N 0.57 0.60 -0.58 3.15 1.08 0.14 -2.27 115.11 117.81 2yuk h GLN 54 Ca 0.54 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.53 2yuk h GLN 54 Cb 1.09 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.43 2yuk h GLN 54 CO -0.28 0.68 0.22 0.82 -0.95 0.00 0.00 178.83 179.32 2yuk h ILE 55 N 0.56 1.21 0.39 2.54 2.04 -0.18 -1.16 117.51 122.91 2yuk h ILE 55 Ca 0.11 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 2yuk h ILE 55 Cb 0.48 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2yuk h ILE 55 CO 0.03 0.27 -0.19 0.00 0.00 0.00 0.00 178.15 178.26 2yuk h ALA 56 N 1.40 -0.52 -0.58 1.87 0.00 -1.19 -1.44 119.26 118.80 2yuk h ALA 56 Ca 0.20 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.09 2yuk h ALA 56 Cb 0.19 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 2yuk h ALA 56 CO -0.02 -0.50 -0.04 1.57 0.00 0.00 0.00 179.25 180.27 2yuk h LYS 57 N -1.12 0.08 -0.30 0.00 2.10 -1.42 0.25 116.57 116.15 2yuk h LYS 57 Ca -0.05 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 2yuk h LYS 57 Cb 0.44 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 2yuk h LYS 57 CO 0.09 0.05 0.14 -0.07 -2.00 0.00 0.00 179.45 177.66 2yuk h LEU 58 N 0.08 0.40 -0.65 7.07 3.38 -1.30 -1.44 115.31 122.84 2yuk h LEU 58 Ca 0.30 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2yuk h LEU 58 Cb 0.47 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2yuk h LEU 58 CO -0.53 0.41 0.41 -0.25 0.09 0.00 0.00 178.44 178.57 2yuk h TRP 59 N 0.35 0.76 -0.63 1.13 2.91 -0.08 -2.36 115.95 118.04 2yuk h TRP 59 Ca 0.10 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.11 2yuk h TRP 59 Cb 0.12 -0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 28.50 2yuk h TRP 59 CO -0.02 0.44 0.27 0.00 -1.03 0.00 0.00 178.44 178.10 2yuk h ARG 60 N 0.80 0.93 -0.99 2.65 3.08 -0.35 -2.67 114.38 117.83 2yuk h ARG 60 Ca 0.26 -0.15 0.09 0.00 0.07 0.00 0.00 59.98 60.25 2yuk h ARG 60 Cb 0.01 -0.16 -0.08 0.00 0.08 0.00 0.00 29.97 29.83 2yuk h ARG 60 CO -0.10 0.77 0.63 -0.22 -1.07 0.00 0.00 179.97 179.97 2yuk h LYS 61 N 0.88 1.04 -6.87 0.04 3.64 -0.76 -3.42 116.57 111.11 2yuk h LYS 61 Ca 0.21 -0.06 -0.53 0.00 -1.27 0.00 0.00 60.65 59.00 2yuk h LYS 61 Cb 0.17 -0.23 0.09 0.00 -0.41 0.00 0.00 32.23 31.84 2yuk h LYS 61 CO -0.02 0.69 0.80 0.00 -2.27 0.00 0.00 179.45 178.65 2yuk s ALA 62 N -6.00 3.63 0.67 5.00 0.00 -0.96 -4.99 121.76 119.10 2yuk s ALA 62 Ca -0.12 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 53.24 2yuk s ALA 62 Cb 0.21 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 2yuk s ALA 62 CO 0.81 -0.96 1.05 0.45 0.00 0.00 0.00 175.76 177.12 2yuk s SER 63 N 0.11 5.77 0.14 0.00 0.15 -1.26 -4.85 113.70 113.76 2yuk s SER 63 Ca 0.57 1.39 -0.24 0.00 0.70 0.00 0.00 55.95 58.37 2yuk s SER 63 Cb -0.46 -2.34 -0.01 0.00 -1.71 0.00 0.00 66.02 61.51 2yuk s SER 63 CO 0.54 -1.16 1.63 0.28 1.20 0.00 0.00 173.24 175.74 2yuk h SER 64 N -0.52 -0.76 -0.02 5.45 0.02 -1.94 0.21 113.55 115.98 2yuk h SER 64 Ca -0.44 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.64 2yuk h SER 64 Cb 1.21 0.34 -0.00 0.00 0.14 0.00 0.00 62.40 64.09 2yuk h SER 64 CO 0.61 -0.29 0.38 1.56 -1.14 0.00 0.00 176.83 177.95 2yuk h GLN 65 N -0.31 0.00 0.14 3.45 1.08 -2.00 0.29 115.11 117.76 2yuk h GLN 65 Ca 0.10 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.96 2yuk h GLN 65 Cb 0.46 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 2yuk h GLN 65 CO -0.32 0.00 -1.76 1.49 -0.95 0.00 0.00 178.83 177.30 2yuk h GLU 66 N 0.00 0.30 0.00 1.46 4.57 -0.98 -3.34 114.58 116.59 2yuk h GLU 66 Ca 0.01 -0.51 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 2yuk h GLU 66 Cb 0.78 0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.55 2yuk h GLU 66 CO -0.00 1.19 -0.12 0.00 -1.18 0.00 0.00 179.01 178.90 2yuk h ARG 67 N 0.08 0.00 -0.68 1.92 3.08 0.44 -3.36 114.38 115.86 2yuk h ARG 67 Ca -0.34 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.78 2yuk h ARG 67 Cb 2.06 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 32.02 2yuk h ARG 67 CO 0.15 0.12 -0.38 0.00 -1.07 0.00 0.00 179.97 178.79 2yuk n ALA 68 N -2.13 -0.37 0.02 0.04 0.00 0.63 0.19 120.51 118.88 2yuk n ALA 68 Ca 0.03 0.59 -0.13 0.00 0.00 0.00 0.00 53.44 53.94 2yuk n ALA 68 Cb 0.54 -0.13 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.83 -2.85 132.00 127.38 2yuk h PRO 69 Ca 0.13 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 -0.64 0.38 0.00 1.88 -0.23 0.00 0.00 178.00 179.39 2yuk h TYR 70 N -0.57 0.00 0.17 1.56 0.05 -1.19 0.25 116.97 117.23 2yuk h TYR 70 Ca -0.01 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.43 2yuk h TYR 70 Cb 0.49 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.24 2yuk h TYR 70 CO 0.08 0.00 -1.68 0.28 -1.05 0.00 0.00 178.16 175.79 2yuk h VAL 71 N 0.00 1.01 0.09 -2.88 2.07 0.22 -3.29 116.25 113.47 2yuk h VAL 71 Ca 0.00 -2.60 -0.19 0.00 0.82 0.00 0.00 66.70 64.72 2yuk h VAL 71 Cb 0.00 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2yuk h VAL 71 CO 0.00 0.84 -0.96 -0.61 0.02 0.00 0.00 177.57 176.86 2yuk h GLN 72 N 0.10 0.19 -0.84 1.57 5.75 -1.00 -3.34 115.11 117.54 2yuk h GLN 72 Ca -0.31 -0.32 0.18 0.00 -0.15 0.00 0.00 58.65 58.05 2yuk h GLN 72 Cb 2.08 0.12 -0.11 0.00 1.07 0.00 0.00 27.48 30.64 2yuk h GLN 72 CO 0.18 1.15 0.35 -0.22 -2.65 0.00 0.00 178.83 177.63 2yuk h LYS 73 N -0.54 0.41 -0.64 1.69 3.64 -0.76 0.70 116.57 121.07 2yuk h LYS 73 Ca -0.21 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.22 2yuk h LYS 73 Cb 1.53 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 33.20 2yuk h LYS 73 CO 0.04 0.27 0.33 0.00 -2.27 0.00 0.00 179.45 177.82 2yuk h ALA 74 N 1.64 0.85 -0.01 5.00 0.00 -1.69 0.22 119.26 125.27 2yuk h ALA 74 Ca 0.49 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 2yuk h ALA 74 Cb 0.86 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2yuk h ALA 74 CO -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 178.74 2yuk h ARG 75 N 0.60 0.03 -0.54 0.00 3.08 -1.04 -2.98 114.38 113.53 2yuk h ARG 75 Ca 0.30 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.35 2yuk h ARG 75 Cb 0.24 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2yuk h ARG 75 CO -0.21 0.31 0.36 0.22 -1.07 0.00 0.00 179.97 179.58 2yuk h ASP 76 N -0.26 0.61 -0.89 7.04 1.82 -0.84 -1.91 116.42 121.99 2yuk h ASP 76 Ca 0.00 -0.02 0.07 0.00 -0.39 0.00 0.00 57.03 56.70 2yuk h ASP 76 Cb 0.30 -0.15 -0.06 0.00 0.68 0.00 0.00 39.33 40.10 2yuk h ASP 76 CO 0.00 0.44 0.58 0.78 -1.61 0.00 0.00 179.24 179.43 2yuk h ASN 77 N 0.72 0.87 -0.21 2.28 2.35 -0.41 -0.68 115.58 120.50 2yuk h ASN 77 Ca 0.20 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2yuk h ASN 77 Cb -0.07 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2yuk h ASN 77 CO -0.04 0.55 0.07 0.03 -1.65 0.00 0.00 177.43 176.38 2yuk h ARG 78 N 0.98 0.40 -0.15 0.81 3.08 -1.25 -2.72 114.38 115.52 2yuk h ARG 78 Ca 0.39 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.33 2yuk h ARG 78 Cb 0.24 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2yuk h ARG 78 CO -0.15 0.37 -0.11 0.00 -1.07 0.00 0.00 179.97 179.02 2yuk h ALA 79 N 1.68 0.22 -0.88 0.04 0.00 -1.14 -3.16 119.26 116.02 2yuk h ALA 79 Ca 0.10 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 54.86 2yuk h ALA 79 Cb 0.16 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.80 2yuk h ALA 79 CO -0.00 0.06 0.48 0.00 0.00 0.00 0.00 179.25 179.78 2yuk h ALA 80 N 0.64 1.35 0.01 0.00 0.00 -1.16 -2.31 119.26 117.79 2yuk h ALA 80 Ca 0.03 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2yuk h ALA 80 Cb 0.62 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 2yuk h ALA 80 CO 0.03 -0.06 -0.46 -0.07 0.00 0.00 0.00 179.25 178.69 2yuk h LEU 81 N 0.67 -1.42 -2.00 0.00 3.38 -1.48 0.75 115.31 115.22 2yuk h LEU 81 Ca 0.48 0.17 0.36 0.00 0.09 0.00 0.00 57.88 58.98 2yuk h LEU 81 Cb 0.68 0.55 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 2yuk h LEU 81 CO -0.36 -0.49 0.90 0.03 0.09 0.00 0.00 178.44 178.62 2yuk h ARG 82 N -0.62 0.00 0.16 1.13 -0.00 -1.47 0.83 114.38 114.42 2yuk h ARG 82 Ca 0.03 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.51 2yuk h ARG 82 Cb 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.66 2yuk h ARG 82 CO -0.33 0.00 -0.08 0.82 0.00 0.00 0.00 179.97 180.38 2yuk h ILE 83 N 0.00 0.93 -3.23 2.04 1.08 -0.76 -3.39 117.51 114.18 2yuk h ILE 83 Ca 0.60 -0.37 -0.70 0.00 -0.39 0.00 0.00 64.86 63.99 2yuk h ILE 83 Cb 2.40 1.16 -0.19 0.00 -3.07 0.00 0.00 36.82 37.11 2yuk h ILE 83 CO -0.01 0.09 -0.05 0.20 -0.69 0.00 0.00 178.15 177.69 2yuk s ASN 84 N -5.16 6.20 -0.47 1.72 -0.87 0.29 -5.02 114.94 111.62 2yuk s ASN 84 Ca -0.15 -1.08 -0.28 0.00 -1.57 0.00 0.00 52.86 49.78 2yuk s ASN 84 Cb 0.04 -2.26 0.01 0.00 -0.02 0.00 0.00 41.25 39.01 2yuk s ASN 84 CO 0.63 -0.84 1.49 -0.54 -2.57 0.00 0.00 177.10 175.27 2yuk s LYS 85 N 2.35 3.38 -0.58 -0.60 1.02 -1.26 -4.87 119.74 119.17 2yuk s LYS 85 Ca 0.12 0.80 0.00 0.00 0.02 0.00 0.00 55.97 56.91 2yuk s LYS 85 Cb -0.21 -4.11 0.47 0.00 -0.52 0.00 0.00 37.83 33.46 2yuk s LYS 85 CO 0.10 -1.82 1.88 1.33 -0.92 0.00 0.00 175.35 175.92 2yuk n VAL 86 N 7.06 3.40 -3.54 3.17 0.24 -1.26 -4.94 118.33 122.46 2yuk n VAL 86 Ca 0.16 -3.04 -0.13 0.00 -2.04 0.00 0.00 64.34 59.29 2yuk n VAL 86 Cb 0.49 -1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 31.73 2yuk n VAL 86 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2yuk s GLN 87 N -3.74 0.82 -0.47 7.34 0.74 -1.26 -5.04 119.66 118.05 2yuk s GLN 87 Ca 0.62 0.10 -0.07 0.00 0.05 0.00 0.00 55.36 56.06 2yuk s GLN 87 Cb 0.49 0.39 -0.19 0.00 1.10 0.00 0.00 33.01 34.79 2yuk s GLN 87 CO 0.01 -0.28 3.17 -1.33 -0.55 0.00 0.00 175.29 176.31 2yuk n MET 88 N 0.62 2.31 -3.66 1.67 2.81 -1.26 -4.73 117.12 114.89 2yuk n MET 88 Ca -0.14 -1.27 -0.08 0.00 -1.81 0.00 0.00 57.70 54.40 2yuk n MET 88 Cb 0.58 -2.20 -0.08 0.00 -0.71 0.00 0.00 33.22 30.81 2yuk n MET 88 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2yuk s SER 89 N 2.20 -0.81 0.00 7.83 1.04 -1.26 -5.30 113.70 117.39 2yuk s SER 89 Ca 0.62 1.33 0.20 0.00 0.48 0.00 0.00 55.95 58.57 2yuk s SER 89 Cb 0.25 1.20 1.19 0.00 0.10 0.00 0.00 66.02 68.76 2yuk s SER 89 CO -0.02 -0.23 1.58 -3.20 0.98 0.00 0.00 173.24 172.36