#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 -0.08 0.11 1.61 0.15 -1.26 -5.06 113.70 109.17 2yuk s SER 2 Ca 0.00 -0.06 -0.21 0.00 0.70 0.00 0.00 55.95 56.38 2yuk s SER 2 Cb 0.00 0.26 -0.08 0.00 -1.71 0.00 0.00 66.02 64.48 2yuk s SER 2 CO 0.00 -0.41 1.74 -1.28 1.20 0.00 0.00 173.24 174.49 2yuk h SER 3 N 4.07 -0.00 -4.12 5.45 0.87 -2.15 -3.49 113.55 114.18 2yuk h SER 3 Ca -0.30 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2yuk h SER 3 Cb 1.19 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2yuk h SER 3 CO 0.40 0.02 -0.90 0.61 -0.53 0.00 0.00 176.83 176.43 2yuk n GLY 4 N -1.14 -4.71 3.30 5.77 0.00 -1.26 -4.92 105.19 102.22 2yuk n GLY 4 Ca -0.04 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.03 4.80 0.01 1.61 0.15 -1.26 -5.09 113.70 110.90 2yuk s SER 5 Ca 0.00 -0.72 0.04 0.00 0.70 0.00 0.00 55.95 55.97 2yuk s SER 5 Cb 0.00 -1.80 -0.02 0.00 -1.71 0.00 0.00 66.02 62.49 2yuk s SER 5 CO 0.00 -0.15 -0.14 -0.55 1.20 0.00 0.00 173.24 173.60 2yuk s SER 6 N 1.44 1.62 0.14 5.45 0.15 -1.26 -5.15 113.70 116.10 2yuk s SER 6 Ca 0.02 -0.34 -0.22 0.00 0.70 0.00 0.00 55.95 56.10 2yuk s SER 6 Cb -0.17 -0.14 0.06 0.00 -1.71 0.00 0.00 66.02 64.06 2yuk s SER 6 CO -0.00 0.10 0.57 -0.83 1.20 0.00 0.00 173.24 174.28 2yuk s GLY 7 N -0.70 -0.55 -0.18 9.45 0.00 -1.26 -5.18 107.32 108.90 2yuk s GLY 7 Ca 0.04 0.46 -0.32 0.00 0.00 0.00 0.00 44.72 44.90 2yuk s GLY 7 CO 0.00 0.14 1.15 0.54 0.00 0.00 0.00 173.10 174.93 2yuk s ASN 8 N -2.62 -0.21 -0.35 1.64 2.20 -1.26 -5.12 114.94 109.22 2yuk s ASN 8 Ca 0.00 0.13 -0.29 0.00 -0.94 0.00 0.00 52.86 51.76 2yuk s ASN 8 Cb -0.00 0.19 -0.00 0.00 -2.00 0.00 0.00 41.25 39.44 2yuk s ASN 8 CO -0.11 -0.26 1.47 0.00 -2.94 0.00 0.00 177.10 175.26 2yuk s ALA 9 N -1.78 3.12 -0.28 3.54 0.00 -1.26 -4.95 121.76 120.15 2yuk s ALA 9 Ca 0.05 0.04 -0.23 0.00 0.00 0.00 0.00 51.96 51.82 2yuk s ALA 9 Cb -0.01 -3.90 0.13 0.00 0.00 0.00 0.00 23.12 19.34 2yuk s ALA 9 CO -0.04 -2.24 1.03 -1.14 0.00 0.00 0.00 175.76 173.37 2yuk s GLN 10 N 4.84 0.47 0.86 0.00 2.00 -1.26 -5.16 119.66 121.41 2yuk s GLN 10 Ca 0.64 0.61 -0.17 0.00 -2.00 0.00 0.00 55.36 54.44 2yuk s GLN 10 Cb -0.17 0.20 -0.13 0.00 0.80 0.00 0.00 33.01 33.71 2yuk s GLN 10 CO 0.30 -0.06 -0.46 0.54 -0.50 0.00 0.00 175.29 175.10 2yuk n ARG 11 N 2.55 -0.00 -3.86 1.67 5.12 -1.26 -5.01 116.66 115.87 2yuk n ARG 11 Ca -0.14 0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 55.69 2yuk n ARG 11 Cb 0.56 -1.12 -0.06 0.00 -1.16 0.00 0.00 32.46 30.69 2yuk n ARG 11 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2yuk s SER 12 N -1.11 -0.08 -1.20 0.55 0.01 -1.26 -4.96 113.70 105.66 2yuk s SER 12 Ca 0.47 -0.69 -0.07 0.00 1.31 0.00 0.00 55.95 56.97 2yuk s SER 12 Cb -0.27 0.48 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 2yuk s SER 12 CO 0.76 -0.94 0.78 0.35 0.41 0.00 0.00 173.24 174.60 2yuk n THR 13 N -0.25 -5.90 -0.08 1.44 -2.24 -1.26 -4.95 114.28 101.03 2yuk n THR 13 Ca -0.09 -0.81 -0.08 0.00 -2.27 0.00 0.00 64.05 60.80 2yuk n THR 13 Cb 0.63 -4.56 -0.03 0.00 -2.10 0.00 0.00 70.33 64.27 2yuk n THR 13 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2yuk n LEU 14 N -4.02 1.79 -0.32 3.22 4.32 -1.26 -4.43 117.00 116.30 2yuk n LEU 14 Ca -0.20 0.35 0.20 0.00 -0.02 0.00 0.00 56.01 56.34 2yuk n LEU 14 Cb 0.64 -0.74 0.40 0.00 -1.62 0.00 0.00 43.42 42.10 2yuk n LEU 14 CO 0.66 -0.31 1.00 0.50 -1.22 0.00 0.00 177.39 178.02 2yuk h LYS 15 N -0.93 0.20 -0.57 3.23 3.64 -2.01 0.15 116.57 120.28 2yuk h LYS 15 Ca 0.00 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 2yuk h LYS 15 Cb 0.87 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.53 2yuk h LYS 15 CO 0.00 0.13 -0.22 -1.49 -2.27 0.00 0.00 179.45 175.60 2yuk h TRP 16 N 0.20 -0.54 -0.50 1.91 4.06 -1.98 0.69 115.95 119.79 2yuk h TRP 16 Ca 0.66 0.06 0.15 0.00 2.06 0.00 0.00 58.89 61.82 2yuk h TRP 16 Cb 1.48 0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 29.94 2yuk h TRP 16 CO -0.17 -0.31 0.52 1.49 -3.56 0.00 0.00 178.44 176.41 2yuk h GLU 17 N -0.08 0.00 0.02 0.49 4.57 -0.90 0.48 114.58 119.15 2yuk h GLU 17 Ca 0.26 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.26 2yuk h GLU 17 Cb 0.49 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 2yuk h GLU 17 CO -0.63 0.00 -0.99 0.87 -1.18 0.00 0.00 179.01 177.08 2yuk h LYS 18 N 0.00 0.04 0.00 1.92 6.56 0.25 -3.35 116.57 121.99 2yuk h LYS 18 Ca 0.24 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.75 2yuk h LYS 18 Cb 1.27 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.95 2yuk h LYS 18 CO -0.00 1.03 -0.09 0.93 -2.06 0.00 0.00 179.45 179.26 2yuk h GLU 19 N -0.89 0.00 0.00 3.15 4.39 0.27 -1.85 114.58 119.65 2yuk h GLU 19 Ca -0.26 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 2yuk h GLU 19 Cb 1.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2yuk h GLU 19 CO -0.12 0.09 -0.04 0.93 -1.16 0.00 0.00 179.01 178.70 2yuk h GLU 20 N 0.00 0.00 0.01 2.33 4.39 -0.24 -1.83 114.58 119.25 2yuk h GLU 20 Ca -0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 2yuk h GLU 20 Cb 0.29 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 2yuk h GLU 20 CO 0.01 0.04 -1.33 0.00 -1.16 0.00 0.00 179.01 176.57 2yuk h ALA 21 N 1.96 0.51 0.00 3.43 0.00 -1.51 -3.27 119.26 120.38 2yuk h ALA 21 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2yuk h ALA 21 Cb 0.19 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2yuk h ALA 21 CO 0.01 1.37 0.00 -0.07 0.00 0.00 0.00 179.25 180.56 2yuk h LEU 22 N 0.01 0.00 0.00 0.00 3.38 -1.38 -3.47 115.31 113.84 2yuk h LEU 22 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2yuk h LEU 22 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2yuk h LEU 22 CO 0.11 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.25 2yuk n GLY 23 N 0.18 2.48 0.04 0.83 0.00 -1.11 -0.08 105.19 107.52 2yuk n GLY 23 Ca 0.02 0.35 0.04 0.00 0.00 0.00 0.00 46.02 46.44 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 6.26 0.04 0.01 1.61 1.02 -1.26 -0.58 120.64 127.74 2yuk n GLU 24 Ca 0.00 0.46 0.11 0.00 -0.02 0.00 0.00 57.16 57.71 2yuk n GLU 24 Cb 0.00 -1.60 0.03 0.00 -0.02 0.00 0.00 31.44 29.84 2yuk n GLU 24 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2yuk n MET 25 N -1.68 0.11 -1.25 3.49 2.81 0.88 -4.98 117.12 116.50 2yuk n MET 25 Ca 0.01 -0.01 -0.49 0.00 -1.81 0.00 0.00 57.70 55.40 2yuk n MET 25 Cb 0.06 -1.53 -0.07 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 -1.62 -2.00 1.05 3.04 0.00 0.25 -4.75 120.51 116.47 2yuk n ALA 26 Ca 0.04 0.42 0.01 0.00 0.00 0.00 0.00 53.44 53.91 2yuk n ALA 26 Cb 0.37 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.44 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 2.11 0.22 -4.38 0.00 -2.24 -1.26 -4.43 114.28 104.30 2yuk n THR 27 Ca 0.20 -0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.64 2yuk n THR 27 Cb 0.01 -0.36 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 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 2.00 -0.04 2.28 1.01 -1.26 -4.54 120.40 118.51 2yuk s VAL 28 Ca 0.05 -2.15 -0.17 0.00 0.00 0.00 0.00 61.98 59.71 2yuk s VAL 28 Cb 0.03 -2.04 -0.11 0.00 0.00 0.00 0.00 36.38 34.27 2yuk s VAL 28 CO 0.02 -0.41 0.72 0.00 0.00 0.00 0.00 175.10 175.42 2yuk h ALA 29 N 2.78 -0.47 0.06 5.51 0.00 -1.88 -2.99 119.26 122.27 2yuk h ALA 29 Ca -0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 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 0.57 -0.47 -0.03 -1.00 0.00 0.00 0.00 179.25 178.32 2yuk h PRO 30 N -1.06 -0.08 0.00 0.00 0.13 -1.93 -1.93 132.00 127.13 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 0.45 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2yuk h PRO 30 CO 0.08 0.38 0.13 0.28 -0.23 0.00 0.00 178.00 178.65 2yuk h VAL 31 N -0.57 0.00 0.01 1.56 2.07 -1.91 -1.95 116.25 115.47 2yuk h VAL 31 Ca -0.01 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.21 2yuk h VAL 31 Cb 0.49 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2yuk h VAL 31 CO 0.01 0.00 -1.66 -0.11 0.02 0.00 0.00 177.57 175.84 2yuk n LEU 32 N -2.36 1.97 -0.01 2.57 7.94 -1.13 -3.65 117.00 122.34 2yuk n LEU 32 Ca -0.02 0.37 -0.12 0.00 -1.11 0.00 0.00 56.01 55.13 2yuk n LEU 32 Cb 0.17 -0.94 -0.06 0.00 0.53 0.00 0.00 43.42 43.11 2yuk n LEU 32 CO 0.10 0.41 0.58 0.22 -1.11 0.00 0.00 177.39 177.59 2yuk h TYR 33 N -0.89 -1.21 -0.28 1.96 5.03 -0.58 -2.09 116.97 118.91 2yuk h TYR 33 Ca -0.45 0.05 0.04 0.00 2.58 0.00 0.00 58.73 60.96 2yuk h TYR 33 Cb 1.45 0.55 -0.04 0.00 1.55 0.00 0.00 36.73 40.25 2yuk h TYR 33 CO 0.05 -0.48 0.03 1.79 -1.32 0.00 0.00 178.16 178.23 2yuk h THR 34 N -0.49 0.83 -1.31 1.81 1.35 -1.69 0.27 112.91 113.68 2yuk h THR 34 Ca 0.08 -0.04 0.40 0.00 -0.55 0.00 0.00 66.41 66.30 2yuk h THR 34 Cb 0.63 0.70 -0.11 0.00 -1.73 0.00 0.00 68.15 67.64 2yuk h THR 34 CO -0.41 0.02 0.87 0.78 -0.25 0.00 0.00 175.52 176.54 2yuk h ASN 35 N 0.12 0.23 0.00 5.36 2.35 -1.46 1.10 115.58 123.29 2yuk h ASN 35 Ca 0.13 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2yuk h ASN 35 Cb 0.16 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2yuk h ASN 35 CO -0.20 -0.08 -0.56 -0.38 -1.65 0.00 0.00 177.43 174.56 2yuk n ILE 36 N -4.54 1.28 0.05 2.81 5.41 -0.55 -4.14 119.36 119.68 2yuk n ILE 36 Ca 0.34 0.23 -0.11 0.00 1.00 0.00 0.00 62.75 64.21 2yuk n ILE 36 Cb 1.35 -2.29 -0.04 0.00 -0.71 0.00 0.00 39.64 37.95 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 -0.89 -0.76 -3.82 4.38 2.35 -0.13 -3.30 115.58 113.41 2yuk h ASN 37 Ca 0.00 0.11 -0.74 0.00 -0.55 0.00 0.00 56.30 55.12 2yuk h ASN 37 Cb 0.56 0.32 -0.31 0.00 0.05 0.00 0.00 38.32 38.94 2yuk h ASN 37 CO 0.00 -0.32 -0.06 -0.36 -1.65 0.00 0.00 177.43 175.04 2yuk s PHE 38 N -6.06 3.73 0.24 1.19 0.40 0.38 -4.89 117.98 112.96 2yuk s PHE 38 Ca -0.15 -2.56 0.01 0.00 -0.60 0.00 0.00 56.93 53.63 2yuk s PHE 38 Cb 0.09 -3.48 0.27 0.00 0.51 0.00 0.00 43.02 40.41 2yuk s PHE 38 CO 0.66 -0.88 1.61 -1.00 0.70 0.00 0.00 175.22 176.31 2yuk h PRO 39 N 6.99 0.44 -0.38 0.24 0.13 -1.67 -2.78 132.00 134.98 2yuk h PRO 39 Ca 0.09 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2yuk h PRO 39 Cb 0.94 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2yuk h PRO 39 CO 0.79 0.80 0.00 0.09 -0.23 0.00 0.00 178.00 179.45 2yuk n ASN 40 N -4.00 2.07 -0.30 1.44 3.02 -1.26 -4.46 115.26 111.76 2yuk n ASN 40 Ca -0.02 -1.98 0.12 0.00 -0.03 0.00 0.00 54.58 52.67 2yuk n ASN 40 Cb 0.53 -0.25 0.24 0.00 -0.61 0.00 0.00 39.78 39.69 2yuk n ASN 40 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2yuk n LEU 41 N 0.63 -0.11 0.14 3.41 7.94 -1.05 0.14 117.00 128.09 2yuk n LEU 41 Ca 0.13 1.45 -0.16 0.00 -1.11 0.00 0.00 56.01 56.32 2yuk n LEU 41 Cb 0.33 -0.52 -0.08 0.00 0.53 0.00 0.00 43.42 43.67 2yuk n LEU 41 CO 0.09 -1.46 0.56 0.11 -1.11 0.00 0.00 177.39 175.58 2yuk h LYS 42 N 0.00 -0.71 0.58 1.96 1.57 -1.78 -0.10 116.57 118.08 2yuk h LYS 42 Ca 0.51 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.32 2yuk h LYS 42 Cb 1.03 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 2yuk h LYS 42 CO -0.81 -0.48 -0.49 0.93 -0.57 0.00 0.00 179.45 178.04 2yuk h GLU 43 N -0.74 -1.00 -0.96 3.15 4.39 -0.65 -1.71 114.58 117.05 2yuk h GLU 43 Ca 0.00 0.07 0.30 0.00 0.34 0.00 0.00 59.36 60.07 2yuk h GLU 43 Cb 0.74 0.23 -0.16 0.00 -0.10 0.00 0.00 28.75 29.46 2yuk h GLU 43 CO -0.23 -0.67 0.35 0.93 -1.16 0.00 0.00 179.01 178.24 2yuk h GLU 44 N -1.04 0.16 -2.99 2.33 5.08 -1.10 -3.25 114.58 113.77 2yuk h GLU 44 Ca -0.07 -0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.69 2yuk h GLU 44 Cb 0.88 -0.04 -0.40 0.00 0.50 0.00 0.00 28.75 29.69 2yuk h GLU 44 CO -0.01 0.10 -0.78 -0.06 -1.00 0.00 0.00 179.01 177.26 2yuk s PHE 45 N -5.79 1.27 -0.01 4.33 0.40 -0.06 -5.00 117.98 113.12 2yuk s PHE 45 Ca -0.11 -1.76 -0.25 0.00 -0.60 0.00 0.00 56.93 54.22 2yuk s PHE 45 Cb 0.29 -1.40 -0.19 0.00 0.51 0.00 0.00 43.02 42.24 2yuk s PHE 45 CO 0.78 -0.83 1.29 -1.00 0.70 0.00 0.00 175.22 176.16 2yuk h PRO 46 N 7.45 0.08 -6.24 0.24 0.13 -1.37 -3.41 132.00 128.88 2yuk h PRO 46 Ca -0.05 -0.04 -0.56 0.00 -0.87 0.00 0.00 66.00 64.47 2yuk h PRO 46 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2yuk h PRO 46 CO 0.41 0.54 1.22 -0.51 -0.23 0.00 0.00 178.00 179.44 2yuk s ASP 47 N -5.79 6.18 0.09 1.44 1.01 -1.26 -4.87 116.67 113.47 2yuk s ASP 47 Ca -0.16 1.82 -0.25 0.00 0.71 0.00 0.00 52.55 54.67 2yuk s ASP 47 Cb 0.02 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.34 2yuk s ASP 47 CO 0.69 -1.39 1.41 -0.25 0.21 0.00 0.00 175.17 175.84 2yuk h TRP 48 N 11.68 -1.24 -1.48 4.23 2.91 -1.98 0.67 115.95 130.73 2yuk h TRP 48 Ca -0.38 0.05 0.43 0.00 1.13 0.00 0.00 58.89 60.13 2yuk h TRP 48 Cb 1.18 0.57 -0.06 0.00 -0.51 0.00 0.00 29.16 30.34 2yuk h TRP 48 CO 0.93 -0.39 1.29 1.15 -1.03 0.00 0.00 178.44 180.39 2yuk h THR 49 N -0.38 0.03 0.01 2.65 2.02 -1.97 1.53 112.91 116.80 2yuk h THR 49 Ca 0.04 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.87 2yuk h THR 49 Cb 0.48 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.87 2yuk h THR 49 CO -0.38 0.00 -2.14 0.41 0.37 0.00 0.00 175.52 173.79 2yuk n THR 50 N -3.62 1.52 0.00 3.16 -1.04 0.86 -4.20 114.28 110.96 2yuk n THR 50 Ca 0.33 -0.77 -0.13 0.00 -2.04 0.00 0.00 64.05 61.44 2yuk n THR 50 Cb 1.74 -0.94 -0.10 0.00 -1.82 0.00 0.00 70.33 69.22 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 -0.06 -0.80 -2.82 2.43 0.75 -3.18 114.38 110.71 2yuk h ARG 51 Ca -0.45 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 58.91 2yuk h ARG 51 Cb 2.10 0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 31.53 2yuk h ARG 51 CO 0.04 0.47 0.09 -0.24 -1.51 0.00 0.00 179.97 178.82 2yuk h VAL 52 N -0.63 0.33 -0.18 0.20 3.04 -0.59 0.33 116.25 118.74 2yuk h VAL 52 Ca -0.01 -0.05 0.04 0.00 -1.01 0.00 0.00 66.70 65.68 2yuk h VAL 52 Cb 0.56 0.17 -0.04 0.00 -2.01 0.00 0.00 31.29 29.97 2yuk h VAL 52 CO 0.01 0.03 -0.09 0.11 -1.01 0.00 0.00 177.57 176.62 2yuk h LYS 53 N 0.15 -0.06 -0.85 4.17 1.57 -1.73 -1.11 116.57 118.71 2yuk h LYS 53 Ca 0.46 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.43 2yuk h LYS 53 Cb 0.86 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.12 2yuk h LYS 53 CO -0.66 -0.04 0.56 1.96 -0.57 0.00 0.00 179.45 180.70 2yuk h GLN 54 N -0.07 0.40 -0.61 3.15 1.08 -0.93 0.50 115.11 118.64 2yuk h GLN 54 Ca 0.10 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.20 2yuk h GLN 54 Cb 0.22 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 2yuk h GLN 54 CO -0.23 0.26 0.08 0.82 -0.95 0.00 0.00 178.83 178.81 2yuk h ILE 55 N 0.41 1.26 0.45 2.54 2.04 -0.67 -1.99 117.51 121.55 2yuk h ILE 55 Ca 0.43 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 2yuk h ILE 55 Cb 1.05 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2yuk h ILE 55 CO -0.15 0.38 -0.22 0.00 0.00 0.00 0.00 178.15 178.16 2yuk h ALA 56 N 1.01 -0.60 -0.74 1.87 0.00 -0.59 -1.58 119.26 118.63 2yuk h ALA 56 Ca 0.18 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.11 2yuk h ALA 56 Cb 0.45 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.35 2yuk h ALA 56 CO 0.02 -0.58 -0.01 1.57 0.00 0.00 0.00 179.25 180.25 2yuk h LYS 57 N -1.13 0.09 -0.43 0.00 2.10 -1.25 0.34 116.57 116.29 2yuk h LYS 57 Ca -0.06 -0.01 -0.08 0.00 -2.00 0.00 0.00 60.65 58.50 2yuk h LYS 57 Cb 0.50 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 2yuk h LYS 57 CO 0.10 0.06 -0.06 -0.07 -2.00 0.00 0.00 179.45 177.49 2yuk h LEU 58 N 0.10 0.71 0.22 7.07 3.38 -1.43 -2.06 115.31 123.30 2yuk h LEU 58 Ca 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2yuk h LEU 58 Cb 0.69 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2yuk h LEU 58 CO -0.66 0.82 -0.11 -0.25 0.09 0.00 0.00 178.44 178.33 2yuk h TRP 59 N 0.68 -0.27 -0.17 1.13 2.91 0.62 -2.87 115.95 117.98 2yuk h TRP 59 Ca 0.13 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.15 2yuk h TRP 59 Cb 0.50 0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.23 2yuk h TRP 59 CO 0.02 -0.10 0.07 0.00 -1.03 0.00 0.00 178.44 177.41 2yuk h ARG 60 N -0.39 0.16 -0.88 2.65 3.08 -0.93 -2.56 114.38 115.51 2yuk h ARG 60 Ca -0.03 -0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.24 2yuk h ARG 60 Cb 0.30 -0.04 -0.15 0.00 0.08 0.00 0.00 29.97 30.17 2yuk h ARG 60 CO 0.05 0.10 0.18 0.87 -1.07 0.00 0.00 179.97 180.10 2yuk h LYS 61 N 0.16 0.16 -6.55 0.04 1.57 -1.31 -3.39 116.57 107.25 2yuk h LYS 61 Ca 0.07 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 58.32 2yuk h LYS 61 Cb 0.03 -0.04 0.04 0.00 0.08 0.00 0.00 32.23 32.35 2yuk h LYS 61 CO -0.06 0.10 1.00 0.00 -0.57 0.00 0.00 179.45 179.92 2yuk s ALA 62 N -5.96 3.78 0.69 3.86 0.00 -0.97 -4.95 121.76 118.21 2yuk s ALA 62 Ca -0.12 1.39 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 2yuk s ALA 62 Cb 0.26 -3.69 0.01 0.00 0.00 0.00 0.00 23.12 19.70 2yuk s ALA 62 CO 0.77 -1.01 1.27 0.45 0.00 0.00 0.00 175.76 177.24 2yuk s SER 63 N 1.89 4.37 0.20 0.00 0.15 -1.26 -4.76 113.70 114.29 2yuk s SER 63 Ca 0.75 2.55 -0.14 0.00 0.70 0.00 0.00 55.95 59.81 2yuk s SER 63 Cb -0.45 -2.61 0.23 0.00 -1.71 0.00 0.00 66.02 61.48 2yuk s SER 63 CO 0.33 -2.16 1.64 0.28 1.20 0.00 0.00 173.24 174.53 2yuk h SER 64 N 0.18 -0.51 -0.13 5.45 0.02 -1.92 0.69 113.55 117.34 2yuk h SER 64 Ca -0.50 0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.67 2yuk h SER 64 Cb 1.32 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 64.21 2yuk h SER 64 CO 0.51 -0.19 0.27 1.56 -1.14 0.00 0.00 176.83 177.85 2yuk h GLN 65 N 0.02 0.00 0.18 3.45 1.08 -2.00 0.10 115.11 117.93 2yuk h GLN 65 Ca 0.29 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 57.19 2yuk h GLN 65 Cb 0.45 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.90 2yuk h GLN 65 CO -0.60 0.00 -1.34 1.49 -0.95 0.00 0.00 178.83 177.44 2yuk h GLU 66 N 0.00 0.41 0.00 1.46 4.57 0.07 -3.26 114.58 117.83 2yuk h GLU 66 Ca 0.06 -0.68 0.00 0.00 -1.18 0.00 0.00 59.36 57.56 2yuk h GLU 66 Cb 0.60 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 2yuk h GLU 66 CO -0.00 1.32 0.00 0.00 -1.18 0.00 0.00 179.01 179.15 2yuk h ARG 67 N 0.12 0.00 -0.67 1.92 3.08 -0.39 -3.36 114.38 115.08 2yuk h ARG 67 Ca -0.19 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.93 2yuk h ARG 67 Cb 2.04 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 32.00 2yuk h ARG 67 CO 0.24 0.00 -0.36 0.00 -1.07 0.00 0.00 179.97 178.77 2yuk n ALA 68 N -2.05 -0.34 0.02 0.04 0.00 -0.23 0.18 120.51 118.13 2yuk n ALA 68 Ca 0.04 0.60 -0.13 0.00 0.00 0.00 0.00 53.44 53.95 2yuk n ALA 68 Cb 0.49 -0.15 -0.09 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.81 -2.89 132.00 127.35 2yuk h PRO 69 Ca 0.14 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2yuk h PRO 69 Cb 0.31 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.46 2yuk h PRO 69 CO -0.64 0.38 0.01 1.88 -0.23 0.00 0.00 178.00 179.40 2yuk h TYR 70 N -0.57 0.00 0.21 1.56 0.05 -1.18 0.92 116.97 117.97 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 0.49 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 -1.67 0.28 -1.05 0.00 0.00 178.16 175.81 2yuk h VAL 71 N 0.00 1.04 0.17 -2.88 2.07 0.20 -3.26 116.25 113.59 2yuk h VAL 71 Ca 0.00 -2.57 -0.25 0.00 0.82 0.00 0.00 66.70 64.71 2yuk h VAL 71 Cb 0.02 2.85 0.03 0.00 -1.52 0.00 0.00 31.29 32.67 2yuk h VAL 71 CO 0.00 0.84 -1.07 -0.61 0.02 0.00 0.00 177.57 176.75 2yuk h GLN 72 N 0.11 0.42 -0.64 1.57 5.75 -1.04 -3.32 115.11 117.96 2yuk h GLN 72 Ca -0.32 -0.68 0.12 0.00 -0.15 0.00 0.00 58.65 57.62 2yuk h GLN 72 Cb 2.12 0.25 -0.09 0.00 1.07 0.00 0.00 27.48 30.83 2yuk h GLN 72 CO 0.21 1.32 0.18 -0.22 -2.65 0.00 0.00 178.83 177.67 2yuk h LYS 73 N -0.13 0.31 -0.97 1.69 3.64 -1.04 0.29 116.57 120.37 2yuk h LYS 73 Ca -0.18 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.30 2yuk h LYS 73 Cb 1.83 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 33.51 2yuk h LYS 73 CO 0.20 0.21 0.62 0.00 -2.27 0.00 0.00 179.45 178.21 2yuk h ALA 74 N 1.49 1.59 -0.17 5.00 0.00 -1.66 0.33 119.26 125.84 2yuk h ALA 74 Ca 0.34 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 2yuk h ALA 74 Cb 0.50 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2yuk h ALA 74 CO -0.39 0.18 -0.25 0.00 0.00 0.00 0.00 179.25 178.78 2yuk h ARG 75 N 0.94 0.47 -0.47 0.00 3.08 -1.10 -3.17 114.38 114.13 2yuk h ARG 75 Ca 0.48 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 60.18 2yuk h ARG 75 Cb 0.51 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2yuk h ARG 75 CO -0.24 0.87 0.00 0.22 -1.07 0.00 0.00 179.97 179.75 2yuk h ASP 76 N 0.11 0.74 -0.76 7.04 3.58 -0.38 -2.64 116.42 124.11 2yuk h ASP 76 Ca 0.02 -0.18 0.10 0.00 0.42 0.00 0.00 57.03 57.39 2yuk h ASP 76 Cb 0.83 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.63 2yuk h ASP 76 CO 0.06 0.81 0.50 0.78 -2.88 0.00 0.00 179.24 178.51 2yuk h ASN 77 N 0.73 0.57 -0.76 2.28 2.35 -0.35 -0.98 115.58 119.43 2yuk h ASN 77 Ca 0.14 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 2yuk h ASN 77 Cb 0.44 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 2yuk h ASN 77 CO 0.02 0.33 0.28 0.03 -1.65 0.00 0.00 177.43 176.44 2yuk h ARG 78 N 0.63 1.15 0.17 0.81 3.08 -1.44 -3.07 114.38 115.71 2yuk h ARG 78 Ca 0.35 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2yuk h ARG 78 Cb 0.52 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2yuk h ARG 78 CO -0.13 0.95 -0.08 0.00 -1.07 0.00 0.00 179.97 179.63 2yuk h ALA 79 N 1.14 -0.23 -0.91 0.04 0.00 -1.22 -2.99 119.26 115.10 2yuk h ALA 79 Ca 0.25 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.26 2yuk h ALA 79 Cb 0.25 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 17.96 2yuk h ALA 79 CO -0.02 -0.60 -0.25 0.00 0.00 0.00 0.00 179.25 178.38 2yuk n ALA 80 N -2.22 0.15 0.22 0.00 0.00 -1.02 -0.16 120.51 117.48 2yuk n ALA 80 Ca -0.09 0.98 -0.15 0.00 0.00 0.00 0.00 53.44 54.18 2yuk n ALA 80 Cb 0.14 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 2yuk n ALA 80 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2yuk h LEU 81 N 0.00 -0.81 -0.81 0.00 3.38 -1.56 0.18 115.31 115.69 2yuk h LEU 81 Ca 0.41 0.07 0.18 0.00 0.09 0.00 0.00 57.88 58.63 2yuk h LEU 81 Cb 0.64 0.27 -0.15 0.00 0.09 0.00 0.00 40.66 41.51 2yuk h LEU 81 CO -0.93 -0.45 -0.08 -0.09 0.09 0.00 0.00 178.44 176.99 2yuk h ARG 82 N -0.67 0.04 0.26 1.13 2.43 -0.47 -1.53 114.38 115.57 2yuk h ARG 82 Ca -0.02 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2yuk h ARG 82 Cb 0.59 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2yuk h ARG 82 CO -0.04 0.03 -0.13 0.82 -1.51 0.00 0.00 179.97 179.15 2yuk h ILE 83 N 0.05 0.75 -0.93 1.20 5.03 -0.97 -3.35 117.51 119.28 2yuk h ILE 83 Ca 0.43 -0.72 -0.69 0.00 -0.12 0.00 0.00 64.86 63.76 2yuk h ILE 83 Cb 0.73 1.11 -0.09 0.00 -3.03 0.00 0.00 36.82 35.55 2yuk h ILE 83 CO -0.77 0.14 2.21 -3.20 -0.68 0.00 0.00 178.15 175.85 2yuk n ASN 84 N -5.08 4.85 -4.62 1.72 2.85 0.62 -4.95 115.26 110.64 2yuk n ASN 84 Ca -0.09 -2.92 -0.34 0.00 -0.11 0.00 0.00 54.58 51.11 2yuk n ASN 84 Cb 0.26 -1.71 -0.10 0.00 1.24 0.00 0.00 39.78 39.47 2yuk n ASN 84 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2yuk s LYS 85 N 3.66 3.68 -0.21 1.20 2.20 -1.21 -4.72 119.74 124.34 2yuk s LYS 85 Ca 0.51 -0.39 -0.20 0.00 -0.36 0.00 0.00 55.97 55.53 2yuk s LYS 85 Cb 0.04 -3.06 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 2yuk s LYS 85 CO 0.05 0.38 0.60 0.54 -0.36 0.00 0.00 175.35 176.55 2yuk s VAL 86 N 0.05 5.04 -0.20 4.02 0.11 -1.26 -5.04 120.40 123.12 2yuk s VAL 86 Ca 0.04 1.11 -0.09 0.00 -2.93 0.00 0.00 61.98 60.11 2yuk s VAL 86 Cb -0.13 -3.91 0.07 0.00 -1.53 0.00 0.00 36.38 30.88 2yuk s VAL 86 CO 0.01 0.12 0.46 -1.58 -3.33 0.00 0.00 175.10 170.78 2yuk s GLN 87 N 1.93 0.42 0.62 1.54 0.74 -1.26 -5.01 119.66 118.64 2yuk s GLN 87 Ca 0.27 0.94 0.31 0.00 0.05 0.00 0.00 55.36 56.93 2yuk s GLN 87 Cb -0.16 0.14 1.72 0.00 1.10 0.00 0.00 33.01 35.81 2yuk s GLN 87 CO 0.10 -0.19 2.05 0.00 -0.55 0.00 0.00 175.29 176.70 2yuk h MET 88 N 7.45 0.00 -6.31 1.67 -0.00 -2.09 -3.39 114.93 112.26 2yuk h MET 88 Ca -0.29 0.00 -0.62 0.00 -0.00 0.00 0.00 59.70 58.79 2yuk h MET 88 Cb 1.16 0.00 -0.26 0.00 -0.00 0.00 0.00 31.60 32.51 2yuk h MET 88 CO 0.22 0.00 -0.85 -1.54 -0.00 0.00 0.00 176.91 174.74 2yuk s SER 89 N -5.22 2.71 0.00 -0.10 1.04 -1.26 -5.35 113.70 105.52 2yuk s SER 89 Ca -0.04 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2yuk s SER 89 Cb 0.13 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.02 2yuk s SER 89 CO 0.45 0.19 0.33 -3.20 0.98 0.00 0.00 173.24 171.99