#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixd h SER 2 N 0.00 0.33 -0.77 1.61 0.02 -2.14 -3.44 113.55 109.16 1ixd h SER 2 Ca 0.00 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 60.51 1ixd h SER 2 Cb 0.00 -0.11 -0.18 0.00 0.14 0.00 0.00 62.40 62.26 1ixd h SER 2 CO 0.00 1.33 -0.36 -0.55 -1.14 0.00 0.00 176.83 176.10 1ixd s SER 3 N -6.95 -1.17 0.14 3.07 0.15 -1.26 -5.16 113.70 102.53 1ixd s SER 3 Ca -0.06 -0.86 -0.25 0.00 0.70 0.00 0.00 55.95 55.48 1ixd s SER 3 Cb 0.07 1.50 0.07 0.00 -1.71 0.00 0.00 66.02 65.95 1ixd s SER 3 CO 0.86 -0.10 0.85 -0.83 1.20 0.00 0.00 173.24 175.21 1ixd s GLY 4 N 1.54 -0.31 0.05 9.45 0.00 -1.26 -5.18 107.32 111.60 1ixd s GLY 4 Ca 0.20 0.30 0.01 0.00 0.00 0.00 0.00 44.72 45.24 1ixd s GLY 4 CO -0.08 0.09 -0.06 -0.56 0.00 0.00 0.00 173.10 172.48 1ixd s SER 5 N -2.80 0.73 0.00 1.64 0.01 -1.26 -5.04 113.70 106.98 1ixd s SER 5 Ca 0.09 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1ixd s SER 5 Cb -0.02 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1ixd s SER 5 CO -0.02 -0.29 0.00 -0.24 0.41 0.00 0.00 173.24 173.10 1ixd n SER 6 N 1.19 0.00 0.00 2.44 2.88 -1.26 -5.12 113.62 113.75 1ixd n SER 6 Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1ixd n SER 6 Cb 0.56 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 64.27 1ixd n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ixd n GLY 7 N -0.22 0.70 2.37 0.46 0.00 -1.26 -4.85 105.19 102.38 1ixd n GLY 7 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1ixd n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ixd n LEU 8 N 0.00 -1.84 -3.23 0.99 4.77 -1.26 -4.98 117.00 111.45 1ixd n LEU 8 Ca 0.00 -0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 55.91 1ixd n LEU 8 Cb 0.00 -2.28 -0.04 0.00 -2.33 0.00 0.00 43.42 38.77 1ixd n LEU 8 CO 0.00 -0.09 0.05 0.00 -1.33 0.00 0.00 177.39 176.03 1ixd s ALA 9 N -2.81 -1.79 -0.10 -1.18 0.00 -1.25 -4.65 121.76 109.99 1ixd s ALA 9 Ca 0.05 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.20 1ixd s ALA 9 Cb -0.02 -2.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 1ixd s ALA 9 CO 0.06 -1.46 -0.06 1.41 0.00 0.00 0.00 175.76 175.71 1ixd s MET 10 N 2.72 3.10 0.22 0.00 1.75 -1.01 -5.02 119.30 121.06 1ixd s MET 10 Ca 0.15 -0.54 -0.08 0.00 -1.25 0.00 0.00 55.69 53.97 1ixd s MET 10 Cb -0.14 -2.71 0.33 0.00 2.84 0.00 0.00 34.83 35.15 1ixd s MET 10 CO -0.22 0.50 1.74 -1.35 -0.65 0.00 0.00 175.02 175.04 1ixd h PRO 11 N 5.81 0.40 0.00 4.11 0.11 -1.95 0.00 132.00 140.49 1ixd h PRO 11 Ca -0.41 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1ixd h PRO 11 Cb 1.18 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ixd h PRO 11 CO 0.56 0.26 -0.03 -1.35 -0.21 0.00 0.00 178.00 177.23 1ixd h PRO 12 N 0.41 0.00 0.00 1.05 0.11 -2.00 -3.48 132.00 128.09 1ixd h PRO 12 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1ixd h PRO 12 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1ixd h PRO 12 CO -0.34 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 177.89 1ixd n GLY 13 N -0.61 2.82 2.40 -0.55 0.00 -0.01 -5.15 105.19 104.09 1ixd n GLY 13 Ca -0.02 -1.99 0.16 0.00 0.00 0.00 0.00 46.02 44.17 1ixd n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ixd n ASN 14 N 0.00 -7.85 -0.03 1.61 4.13 -1.26 -4.40 115.26 107.45 1ixd n ASN 14 Ca 0.00 1.24 -0.01 0.00 1.68 0.00 0.00 54.58 57.49 1ixd n ASN 14 Cb 0.00 -3.48 -0.00 0.00 -1.54 0.00 0.00 39.78 34.76 1ixd n ASN 14 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1ixd h SER 15 N -1.06 0.00 0.00 6.41 4.64 -1.90 -2.67 113.55 118.97 1ixd h SER 15 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1ixd h SER 15 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1ixd h SER 15 CO 0.01 0.31 -0.47 1.57 -0.87 0.00 0.00 176.83 177.37 1ixd n HIS 16 N -3.42 -0.12 -2.65 4.77 -0.00 -1.26 -3.72 115.22 108.82 1ixd n HIS 16 Ca -0.02 0.02 -0.04 0.00 -0.00 0.00 0.00 57.72 57.69 1ixd n HIS 16 Cb 0.06 0.24 0.07 0.00 -0.00 0.00 0.00 29.99 30.37 1ixd n HIS 16 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ixd n GLY 17 N 2.31 -2.02 3.40 1.57 0.00 -1.26 -5.07 105.19 104.12 1ixd n GLY 17 Ca 0.00 1.18 -0.44 0.00 0.00 0.00 0.00 46.02 46.76 1ixd n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ixd s LEU 18 N 0.12 5.22 0.31 0.99 1.43 -1.26 -4.93 118.68 120.55 1ixd s LEU 18 Ca 0.25 -1.47 0.05 0.00 -1.03 0.00 0.00 54.13 51.92 1ixd s LEU 18 Cb 0.19 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1ixd s LEU 18 CO -0.06 -1.15 0.22 -1.83 0.23 0.00 0.00 176.35 173.75 1ixd s GLU 19 N 2.85 1.64 0.21 1.70 -1.05 -1.26 -5.08 118.70 117.72 1ixd s GLU 19 Ca 0.16 -1.95 -0.32 0.00 -0.15 0.00 0.00 54.97 52.72 1ixd s GLU 19 Cb -0.20 0.18 -0.12 0.00 -0.44 0.00 0.00 34.13 33.54 1ixd s GLU 19 CO 0.05 -0.56 1.67 0.28 0.95 0.00 0.00 175.26 177.65 1ixd n VAL 20 N -0.58 0.16 0.00 1.83 0.31 -1.26 -1.95 118.33 116.84 1ixd n VAL 20 Ca 0.04 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ixd n VAL 20 Cb 0.64 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 1ixd n VAL 20 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ixd n GLY 21 N 3.58 2.67 3.88 2.92 0.00 -0.80 -5.00 105.19 112.44 1ixd n GLY 21 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1ixd n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ixd s SER 22 N 0.51 6.55 0.30 1.61 0.01 -0.82 -4.82 113.70 117.04 1ixd s SER 22 Ca 0.00 1.09 -0.12 0.00 1.31 0.00 0.00 55.95 58.23 1ixd s SER 22 Cb 0.00 -2.30 -0.08 0.00 0.21 0.00 0.00 66.02 63.85 1ixd s SER 22 CO 0.00 -0.34 0.67 -0.76 0.41 0.00 0.00 173.24 173.22 1ixd s LEU 23 N -3.66 4.07 0.20 2.44 1.43 -1.26 -0.83 118.68 121.06 1ixd s LEU 23 Ca 0.50 1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 54.56 1ixd s LEU 23 Cb -0.10 -3.92 0.02 0.00 0.03 0.00 0.00 46.19 42.22 1ixd s LEU 23 CO 0.29 -0.19 0.49 0.00 0.23 0.00 0.00 176.35 177.17 1ixd s ALA 24 N -1.99 -0.72 0.22 4.21 0.00 -0.69 -1.45 121.76 121.34 1ixd s ALA 24 Ca 0.51 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 52.14 1ixd s ALA 24 Cb -0.11 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 1ixd s ALA 24 CO 0.21 -0.79 -0.13 -2.00 0.00 0.00 0.00 175.76 173.05 1ixd s GLU 25 N -3.91 1.39 0.12 0.00 2.12 0.15 -2.90 118.70 115.67 1ixd s GLU 25 Ca 0.12 -1.64 0.08 0.00 0.36 0.00 0.00 54.97 53.89 1ixd s GLU 25 Cb -0.00 -1.15 -0.04 0.00 0.26 0.00 0.00 34.13 33.19 1ixd s GLU 25 CO -0.01 0.16 -0.19 0.08 -0.54 0.00 0.00 175.26 174.76 1ixd s VAL 26 N -2.96 1.70 -0.27 3.70 1.01 -1.26 -1.50 120.40 120.82 1ixd s VAL 26 Ca 0.24 -1.67 -0.23 0.00 0.00 0.00 0.00 61.98 60.32 1ixd s VAL 26 Cb -0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1ixd s VAL 26 CO 0.08 -0.17 0.76 -0.54 0.00 0.00 0.00 175.10 175.22 1ixd s LYS 27 N -2.25 4.08 0.06 2.72 1.02 -1.26 -4.85 119.74 119.27 1ixd s LYS 27 Ca 0.09 0.70 -0.10 0.00 0.02 0.00 0.00 55.97 56.69 1ixd s LYS 27 Cb -0.08 -3.68 0.03 0.00 -0.52 0.00 0.00 37.83 33.59 1ixd s LYS 27 CO 0.05 -0.54 0.47 -1.91 -0.92 0.00 0.00 175.35 172.50 1ixd n GLU 28 N 5.99 0.25 0.16 1.68 2.13 -1.26 -5.07 120.64 124.51 1ixd n GLU 28 Ca 0.03 -0.59 -0.10 0.00 0.66 0.00 0.00 57.16 57.16 1ixd n GLU 28 Cb 0.48 0.82 -0.06 0.00 0.27 0.00 0.00 31.44 32.96 1ixd n GLU 28 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1ixd h ASN 29 N 0.86 -0.40 -3.39 4.31 2.35 -2.05 -3.42 115.58 113.84 1ixd h ASN 29 Ca -0.11 -0.10 -0.56 0.00 -0.55 0.00 0.00 56.30 54.97 1ixd h ASN 29 Cb 0.52 0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.94 1ixd h ASN 29 CO 0.16 0.05 1.03 -2.16 -1.65 0.00 0.00 177.43 174.86 1ixd s PRO 30 N -3.56 3.60 -0.74 0.81 0.04 -1.26 -4.96 135.00 128.94 1ixd s PRO 30 Ca -0.10 0.80 -0.26 0.00 0.04 0.00 0.00 61.00 61.48 1ixd s PRO 30 Cb 0.01 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 1ixd s PRO 30 CO 0.34 -1.54 1.96 -1.25 0.04 0.00 0.00 177.00 176.56 1ixd s PRO 31 N 4.84 2.50 0.45 0.56 0.04 -1.26 -4.94 135.00 137.18 1ixd s PRO 31 Ca 0.57 0.28 0.06 0.00 0.04 0.00 0.00 61.00 61.94 1ixd s PRO 31 Cb -0.11 -4.71 -0.04 0.00 0.04 0.00 0.00 34.50 29.68 1ixd s PRO 31 CO 0.32 -3.14 0.12 -0.59 0.04 0.00 0.00 177.00 173.75 1ixd s PHE 32 N 10.04 2.29 -0.04 0.56 -0.12 -1.26 -5.15 117.98 124.30 1ixd s PHE 32 Ca 0.72 -0.73 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 1ixd s PHE 32 Cb -0.10 -1.83 0.03 0.00 -0.63 0.00 0.00 43.02 40.48 1ixd s PHE 32 CO 0.11 0.18 -0.01 0.71 -0.05 0.00 0.00 175.22 176.17 1ixd s TYR 33 N -2.71 0.47 0.04 3.49 2.02 -1.26 -4.60 117.35 114.79 1ixd s TYR 33 Ca 0.30 -0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.95 1ixd s TYR 33 Cb 0.04 -0.55 -0.03 0.00 -0.40 0.00 0.00 41.96 41.03 1ixd s TYR 33 CO 0.17 -0.18 -0.05 0.20 -1.57 0.00 0.00 175.55 174.11 1ixd s GLY 34 N 1.24 0.42 -0.01 0.71 0.00 -1.14 -3.21 107.32 105.32 1ixd s GLY 34 Ca -0.06 -0.82 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 1ixd s GLY 34 CO -0.02 -0.89 0.19 0.54 0.00 0.00 0.00 173.10 172.92 1ixd s VAL 35 N -2.02 5.43 0.26 1.40 0.11 -1.21 -1.71 120.40 122.66 1ixd s VAL 35 Ca -0.08 -0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 58.55 1ixd s VAL 35 Cb -0.06 -3.54 -0.10 0.00 -1.53 0.00 0.00 36.38 31.15 1ixd s VAL 35 CO -0.02 0.33 1.43 -0.63 -3.33 0.00 0.00 175.10 172.88 1ixd s ILE 36 N -1.32 2.66 0.07 7.04 1.01 -0.01 -2.20 121.20 128.45 1ixd s ILE 36 Ca 0.27 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.49 1ixd s ILE 36 Cb -0.13 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1ixd s ILE 36 CO 0.18 0.10 0.00 0.54 0.00 0.00 0.00 174.94 175.76 1ixd n ARG 37 N 2.16 0.00 -4.98 2.79 5.12 0.30 -1.90 116.66 120.15 1ixd n ARG 37 Ca 0.06 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.70 1ixd n ARG 37 Cb 0.40 -0.34 -0.16 0.00 -1.16 0.00 0.00 32.46 31.20 1ixd n ARG 37 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1ixd s TRP 38 N -1.70 1.99 -0.27 -1.55 -0.00 -1.25 -4.72 118.94 111.44 1ixd s TRP 38 Ca 0.00 -0.63 0.01 0.00 -0.00 0.00 0.00 56.10 55.49 1ixd s TRP 38 Cb 0.00 -1.34 0.08 0.00 -0.00 0.00 0.00 33.47 32.21 1ixd s TRP 38 CO 0.00 -0.22 -0.00 0.42 -0.00 0.00 0.00 176.95 177.15 1ixd s ILE 39 N 0.07 1.59 0.01 5.86 1.01 -1.26 0.65 121.20 129.13 1ixd s ILE 39 Ca -0.06 -1.51 -0.01 0.00 0.00 0.00 0.00 60.65 59.07 1ixd s ILE 39 Cb -0.13 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1ixd s ILE 39 CO 0.04 -0.31 0.02 0.61 0.00 0.00 0.00 174.94 175.30 1ixd n GLY 40 N 4.61 1.47 2.89 6.18 0.00 -1.18 -4.93 105.19 114.22 1ixd n GLY 40 Ca -0.07 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 1ixd n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ixd s GLN 41 N -2.00 1.46 0.92 1.61 -0.21 -1.26 -1.47 119.66 118.71 1ixd s GLN 41 Ca 0.01 -0.51 -0.11 0.00 0.02 0.00 0.00 55.36 54.76 1ixd s GLN 41 Cb -0.00 -2.00 0.11 0.00 1.00 0.00 0.00 33.01 32.12 1ixd s GLN 41 CO 0.00 -0.42 0.89 -2.30 -2.12 0.00 0.00 175.29 171.34 1ixd n PRO 42 N 4.87 -0.37 -2.18 2.91 -0.02 -1.26 -4.84 135.00 134.11 1ixd n PRO 42 Ca -0.12 -0.05 -0.31 0.00 -2.02 0.00 0.00 63.50 61.00 1ixd n PRO 42 Cb 0.48 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 1ixd n PRO 42 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ixd s PRO 43 N -4.26 2.83 0.00 0.52 0.04 -1.26 -3.36 135.00 129.51 1ixd s PRO 43 Ca 0.64 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.92 1ixd s PRO 43 Cb -0.23 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.12 1ixd s PRO 43 CO 0.61 -3.24 0.00 0.41 0.04 0.00 0.00 177.00 174.82 1ixd n GLY 44 N 6.51 1.39 3.05 0.56 0.00 -1.26 -5.10 105.19 110.34 1ixd n GLY 44 Ca 0.41 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 1ixd n GLY 44 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ixd s LEU 45 N 0.00 2.90 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.17 1ixd s LEU 45 Ca 0.00 -1.14 -0.28 0.00 0.06 0.00 0.00 54.13 52.76 1ixd s LEU 45 Cb 0.00 -1.44 0.00 0.00 -0.56 0.00 0.00 46.19 44.19 1ixd s LEU 45 CO 0.00 -0.15 1.54 0.21 -1.06 0.00 0.00 176.35 176.89 1ixd s ASN 46 N 1.22 6.09 -0.30 1.48 2.47 -1.26 -4.11 114.94 120.53 1ixd s ASN 46 Ca -0.05 0.76 -0.14 0.00 0.42 0.00 0.00 52.86 53.86 1ixd s ASN 46 Cb -0.18 -2.54 0.15 0.00 -1.45 0.00 0.00 41.25 37.24 1ixd s ASN 46 CO -0.07 -1.65 0.88 -1.83 -3.72 0.00 0.00 177.10 170.71 1ixd s GLU 47 N 5.43 0.39 -0.54 0.43 -1.05 -1.26 -5.10 118.70 117.01 1ixd s GLU 47 Ca 0.64 0.95 -0.26 0.00 -0.15 0.00 0.00 54.97 56.15 1ixd s GLU 47 Cb -0.15 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 1ixd s GLU 47 CO 0.30 -0.13 2.08 0.08 0.95 0.00 0.00 175.26 178.54 1ixd s VAL 48 N 2.48 3.21 -0.31 1.83 1.01 -1.26 -4.20 120.40 123.16 1ixd s VAL 48 Ca -0.04 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 1ixd s VAL 48 Cb -0.08 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1ixd s VAL 48 CO -0.18 -0.50 0.12 -0.76 0.00 0.00 0.00 175.10 173.77 1ixd s LEU 49 N 10.18 4.06 -0.35 3.92 1.43 -0.54 0.77 118.68 138.15 1ixd s LEU 49 Ca 0.81 -0.74 -0.19 0.00 -1.03 0.00 0.00 54.13 52.98 1ixd s LEU 49 Cb -0.15 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 1ixd s LEU 49 CO 0.24 -0.23 0.59 0.00 0.23 0.00 0.00 176.35 177.18 1ixd s ALA 50 N 1.53 3.47 -0.01 4.21 0.00 0.64 -3.13 121.76 128.46 1ixd s ALA 50 Ca 0.03 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 1ixd s ALA 50 Cb -0.18 -3.11 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 1ixd s ALA 50 CO 0.04 -1.28 1.67 0.20 0.00 0.00 0.00 175.76 176.39 1ixd s GLY 51 N 1.77 1.55 -0.16 0.00 0.00 0.21 -3.31 107.32 107.38 1ixd s GLY 51 Ca 0.22 1.05 -0.02 0.00 0.00 0.00 0.00 44.72 45.97 1ixd s GLY 51 CO 0.14 3.01 -0.09 1.08 0.00 0.00 0.00 173.10 177.24 1ixd s LEU 52 N 3.58 2.86 -0.41 0.66 1.43 0.11 0.11 118.68 127.03 1ixd s LEU 52 Ca 0.74 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 53.35 1ixd s LEU 52 Cb -0.36 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1ixd s LEU 52 CO 0.31 0.11 0.46 -0.70 0.23 0.00 0.00 176.35 176.76 1ixd s GLU 53 N 0.71 3.23 0.05 1.70 2.12 -0.94 0.42 118.70 125.99 1ixd s GLU 53 Ca -0.04 -0.61 -0.31 0.00 0.36 0.00 0.00 54.97 54.37 1ixd s GLU 53 Cb -0.15 -3.93 -0.06 0.00 0.26 0.00 0.00 34.13 30.25 1ixd s GLU 53 CO 0.02 -0.81 1.34 -0.51 -0.54 0.00 0.00 175.26 174.76 1ixd s LEU 54 N 2.23 4.35 0.44 2.70 1.43 -1.02 -3.33 118.68 125.48 1ixd s LEU 54 Ca 0.14 2.15 0.11 0.00 -1.03 0.00 0.00 54.13 55.50 1ixd s LEU 54 Cb -0.16 -3.57 0.97 0.00 0.03 0.00 0.00 46.19 43.45 1ixd s LEU 54 CO 0.14 -0.63 2.03 -0.33 0.23 0.00 0.00 176.35 177.79 1ixd h GLU 55 N 7.21 0.21 -6.33 1.70 5.08 -1.88 -3.42 114.58 117.14 1ixd h GLU 55 Ca -0.40 -0.03 -0.56 0.00 -1.00 0.00 0.00 59.36 57.37 1ixd h GLU 55 Cb 1.20 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1ixd h GLU 55 CO 0.87 0.24 -0.02 -0.51 -1.00 0.00 0.00 179.01 178.58 1ixd s ASP 56 N -6.91 7.00 -0.71 1.42 1.11 -1.26 -5.02 116.67 112.30 1ixd s ASP 56 Ca -0.06 1.24 -0.25 0.00 0.18 0.00 0.00 52.55 53.67 1ixd s ASP 56 Cb 0.16 -2.35 0.05 0.00 1.07 0.00 0.00 42.92 41.85 1ixd s ASP 56 CO 0.71 0.18 1.14 -1.61 1.18 0.00 0.00 175.17 176.77 1ixd s GLU 57 N -1.52 3.17 -0.23 8.23 2.02 -1.26 -4.76 118.70 124.36 1ixd s GLU 57 Ca 0.34 -0.55 -0.10 0.00 0.02 0.00 0.00 54.97 54.69 1ixd s GLU 57 Cb -0.18 -4.24 -0.05 0.00 0.10 0.00 0.00 34.13 29.76 1ixd s GLU 57 CO 0.20 -2.00 0.13 0.00 0.02 0.00 0.00 175.26 173.61 1ixd s ALA 59 N 0.91 3.64 0.00 0.00 0.00 -1.26 -3.52 121.76 121.53 1ixd s ALA 59 Ca 0.07 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1ixd s ALA 59 Cb -0.13 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1ixd s ALA 59 CO 0.03 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1ixd n GLY 60 N 3.72 1.89 1.46 0.00 0.00 -1.26 -5.13 105.19 105.88 1ixd n GLY 60 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1ixd n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ixd n THR 62 N -0.49 0.00 -1.77 0.00 -2.24 -1.20 -4.59 114.28 103.99 1ixd n THR 62 Ca -0.07 -1.82 0.01 0.00 -2.27 0.00 0.00 64.05 59.90 1ixd n THR 62 Cb 0.26 -0.04 0.16 0.00 -2.10 0.00 0.00 70.33 68.61 1ixd n THR 62 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ixd n ASP 63 N -1.78 2.15 0.00 3.42 5.75 -1.26 -1.91 116.55 122.91 1ixd n ASP 63 Ca -0.04 -3.68 0.00 0.00 -0.01 0.00 0.00 54.79 51.06 1ixd n ASP 63 Cb 0.52 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1ixd n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ixd n GLY 64 N -0.90 1.51 2.85 6.12 0.00 -1.26 -3.24 105.19 110.27 1ixd n GLY 64 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 1ixd n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ixd s THR 65 N -2.00 0.15 -0.34 2.61 -4.23 -1.26 -1.96 115.64 108.61 1ixd s THR 65 Ca 0.00 0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.50 1ixd s THR 65 Cb 0.00 -0.20 0.06 0.00 1.34 0.00 0.00 72.50 73.70 1ixd s THR 65 CO 0.00 0.10 0.07 0.12 -0.54 0.00 0.00 174.62 174.37 1ixd s PHE 66 N 0.54 3.36 -1.35 3.99 5.36 -0.60 -4.65 117.98 124.62 1ixd s PHE 66 Ca -0.05 -1.95 -0.07 0.00 -0.96 0.00 0.00 56.93 53.89 1ixd s PHE 66 Cb -0.08 -2.44 0.02 0.00 -0.34 0.00 0.00 43.02 40.18 1ixd s PHE 66 CO -0.01 -0.84 1.09 0.54 -1.46 0.00 0.00 175.22 174.54 1ixd n ARG 67 N 4.64 -7.12 -1.96 10.12 1.74 -1.26 -2.00 116.66 120.83 1ixd n ARG 67 Ca -0.10 0.78 -0.04 0.00 -0.77 0.00 0.00 57.85 57.72 1ixd n ARG 67 Cb 0.43 -5.77 -0.00 0.00 -1.02 0.00 0.00 32.46 26.09 1ixd n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ixd n GLY 68 N -1.76 0.27 2.73 -0.13 0.00 -1.26 -5.02 105.19 100.02 1ixd n GLY 68 Ca -0.07 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 1ixd n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ixd s THR 69 N -2.19 1.25 0.07 2.61 2.01 -0.85 -5.10 115.64 113.43 1ixd s THR 69 Ca 0.00 -2.12 -0.31 0.00 0.31 0.00 0.00 61.69 59.57 1ixd s THR 69 Cb 0.00 -1.90 -0.08 0.00 0.01 0.00 0.00 72.50 70.53 1ixd s THR 69 CO 0.00 -0.80 1.65 -0.60 -0.69 0.00 0.00 174.62 174.18 1ixd s ARG 70 N 0.84 4.20 -0.08 4.92 3.52 -1.26 -1.55 118.95 129.53 1ixd s ARG 70 Ca 0.14 2.32 0.02 0.00 -0.13 0.00 0.00 55.73 58.09 1ixd s ARG 70 Cb -0.22 -3.61 -0.06 0.00 -1.56 0.00 0.00 34.95 29.50 1ixd s ARG 70 CO -0.09 -0.73 -0.05 0.66 -0.81 0.00 0.00 175.30 174.28 1ixd n TYR 71 N 5.63 0.00 -4.06 5.12 4.01 -0.83 -4.98 117.16 122.05 1ixd n TYR 71 Ca 0.16 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.80 1ixd n TYR 71 Cb 0.41 -0.34 -0.07 0.00 -0.31 0.00 0.00 39.34 39.03 1ixd n TYR 71 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1ixd s PHE 72 N -2.17 0.62 -0.34 -0.72 -0.71 -1.21 -4.98 117.98 108.48 1ixd s PHE 72 Ca -0.10 -0.94 -0.07 0.00 -1.04 0.00 0.00 56.93 54.78 1ixd s PHE 72 Cb 0.03 -0.10 0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1ixd s PHE 72 CO 0.22 -0.82 0.11 0.99 -1.34 0.00 0.00 175.22 174.38 1ixd s THR 73 N -4.05 3.84 0.29 -4.49 2.01 -1.26 -4.44 115.64 107.53 1ixd s THR 73 Ca 0.27 -1.10 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1ixd s THR 73 Cb 0.03 -3.17 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 1ixd s THR 73 CO 0.08 -0.18 0.11 0.00 -0.69 0.00 0.00 174.62 173.94 1ixd s ALA 75 N -2.80 0.57 0.14 0.00 0.00 -1.26 -4.78 121.76 113.62 1ixd s ALA 75 Ca 0.16 0.24 -0.27 0.00 0.00 0.00 0.00 51.96 52.08 1ixd s ALA 75 Cb 0.01 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 1ixd s ALA 75 CO 0.11 -3.25 0.86 -0.51 0.00 0.00 0.00 175.76 172.97 1ixd s LEU 76 N -6.88 4.55 -1.37 0.00 1.43 -1.26 -3.73 118.68 111.42 1ixd s LEU 76 Ca 0.67 1.71 -0.07 0.00 -1.03 0.00 0.00 54.13 55.41 1ixd s LEU 76 Cb -0.24 -3.42 0.01 0.00 0.03 0.00 0.00 46.19 42.57 1ixd s LEU 76 CO 0.61 0.09 0.96 0.29 0.23 0.00 0.00 176.35 178.53 1ixd n LYS 77 N 2.13 -6.70 -2.77 1.70 4.76 -1.05 -4.90 118.16 111.34 1ixd n LYS 77 Ca -0.02 0.82 -0.01 0.00 -2.87 0.00 0.00 58.31 56.23 1ixd n LYS 77 Cb 0.49 -5.72 0.08 0.00 -1.84 0.00 0.00 35.03 28.04 1ixd n LYS 77 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ixd n LYS 78 N -4.52 1.57 -3.74 1.97 5.02 -0.83 -2.68 118.16 114.95 1ixd n LYS 78 Ca -0.03 -2.58 -0.27 0.00 -2.02 0.00 0.00 58.31 53.41 1ixd n LYS 78 Cb 0.58 -0.78 -0.17 0.00 -0.02 0.00 0.00 35.03 34.64 1ixd n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ixd s ALA 79 N -2.20 1.00 -0.13 7.82 0.00 -0.80 -2.44 121.76 125.01 1ixd s ALA 79 Ca 0.20 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1ixd s ALA 79 Cb 0.37 -1.14 0.02 0.00 0.00 0.00 0.00 23.12 22.37 1ixd s ALA 79 CO -0.07 -1.10 -0.14 -1.17 0.00 0.00 0.00 175.76 173.28 1ixd s LEU 80 N 1.86 1.63 0.10 0.00 2.96 0.17 -3.23 118.68 122.16 1ixd s LEU 80 Ca -0.00 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 53.36 1ixd s LEU 80 Cb -0.17 -1.09 -0.06 0.00 0.50 0.00 0.00 46.19 45.37 1ixd s LEU 80 CO -0.08 -0.04 0.44 -0.36 -1.32 0.00 0.00 176.35 175.00 1ixd s PHE 81 N 1.31 3.59 0.22 5.38 0.40 -1.26 0.10 117.98 127.72 1ixd s PHE 81 Ca 0.00 0.86 -0.18 0.00 -0.60 0.00 0.00 56.93 57.01 1ixd s PHE 81 Cb -0.14 -2.22 0.02 0.00 0.51 0.00 0.00 43.02 41.20 1ixd s PHE 81 CO -0.07 0.49 0.58 0.14 0.70 0.00 0.00 175.22 177.06 1ixd s VAL 82 N -1.41 0.01 -0.01 -0.44 -7.23 -1.21 -4.94 120.40 105.16 1ixd s VAL 82 Ca 0.34 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 59.35 1ixd s VAL 82 Cb -0.14 -1.73 -0.06 0.00 0.56 0.00 0.00 36.38 35.01 1ixd s VAL 82 CO 0.18 -0.06 1.56 -0.54 -0.31 0.00 0.00 175.10 175.93 1ixd s LYS 83 N -3.90 4.22 0.38 4.82 1.02 -1.26 -0.26 119.74 124.76 1ixd s LYS 83 Ca 0.11 2.13 0.06 0.00 0.02 0.00 0.00 55.97 58.29 1ixd s LYS 83 Cb -0.02 -3.75 0.78 0.00 -0.52 0.00 0.00 37.83 34.32 1ixd s LYS 83 CO 0.01 -0.73 1.99 1.25 -0.92 0.00 0.00 175.35 176.95 1ixd h LEU 84 N 9.22 0.60 -1.93 3.17 5.85 0.04 -0.31 115.31 131.95 1ixd h LEU 84 Ca -0.39 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 1ixd h LEU 84 Cb 1.18 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1ixd h LEU 84 CO 0.93 0.40 -0.12 0.07 -0.34 0.00 0.00 178.44 179.39 1ixd h LYS 85 N 0.69 0.00 -0.96 1.25 2.10 -1.91 -2.11 116.57 115.64 1ixd h LYS 85 Ca 0.26 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.35 1ixd h LYS 85 Cb 0.16 0.00 -0.29 0.00 -0.90 0.00 0.00 32.23 31.19 1ixd h LYS 85 CO -0.07 0.12 0.67 0.43 -2.00 0.00 0.00 179.45 178.59 1ixd n SER 86 N -3.82 5.14 -4.56 7.07 7.64 -0.13 -4.95 113.62 120.01 1ixd n SER 86 Ca -0.02 -3.69 -0.29 0.00 1.01 0.00 0.00 58.87 55.88 1ixd n SER 86 Cb 0.22 -0.87 -0.10 0.00 -1.01 0.00 0.00 64.21 62.45 1ixd n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ixd s ARG 88 N -2.36 2.29 0.09 0.00 1.81 -0.56 -4.89 118.95 115.33 1ixd s ARG 88 Ca 0.22 -0.62 -0.35 0.00 -1.72 0.00 0.00 55.73 53.26 1ixd s ARG 88 Cb -0.10 -1.80 -0.14 0.00 -0.45 0.00 0.00 34.95 32.46 1ixd s ARG 88 CO 0.13 0.10 1.60 -2.30 -0.68 0.00 0.00 175.30 174.15 1ixd n PRO 89 N 3.65 1.97 -3.45 3.54 -0.02 -1.26 0.30 135.00 139.73 1ixd n PRO 89 Ca -0.21 0.71 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 1ixd n PRO 89 Cb 0.52 -2.47 -0.08 0.00 -0.02 0.00 0.00 33.50 31.45 1ixd n PRO 89 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ixd s ASP 90 N 1.45 5.94 -0.35 2.55 2.15 -0.53 -4.76 116.67 123.12 1ixd s ASP 90 Ca 0.83 -1.62 0.06 0.00 0.43 0.00 0.00 52.55 52.25 1ixd s ASP 90 Cb -0.74 -2.11 0.65 0.00 -0.30 0.00 0.00 42.92 40.42 1ixd s ASP 90 CO 0.42 -0.69 1.78 -0.24 -0.17 0.00 0.00 175.17 176.27 1ixd n SER 91 N 5.08 4.16 0.22 -0.34 2.88 -1.26 -4.45 113.62 119.91 1ixd n SER 91 Ca -0.11 -3.28 0.06 0.00 -1.33 0.00 0.00 58.87 54.21 1ixd n SER 91 Cb 0.42 -0.77 0.51 0.00 -0.75 0.00 0.00 64.21 63.62 1ixd n SER 91 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ixd h ARG 92 N 1.70 0.00 -0.45 -1.46 3.08 -1.97 -2.44 114.38 112.84 1ixd h ARG 92 Ca 0.41 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.27 1ixd h ARG 92 Cb 2.46 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 32.39 1ixd h ARG 92 CO 0.84 0.22 0.07 1.19 -1.07 0.00 0.00 179.97 181.23 1ixd n PHE 93 N -4.11 1.45 -3.33 3.04 3.01 -1.26 -4.98 117.46 111.27 1ixd n PHE 93 Ca -0.02 -1.44 -0.38 0.00 1.01 0.00 0.00 57.45 56.62 1ixd n PHE 93 Cb 0.29 -0.53 -0.07 0.00 -0.01 0.00 0.00 39.48 39.16 1ixd n PHE 93 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ixd s ALA 94 N -3.14 3.53 -0.06 4.37 0.00 -0.92 -5.04 121.76 120.51 1ixd s ALA 94 Ca 0.47 -0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 1ixd s ALA 94 Cb 0.40 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1ixd s ALA 94 CO 0.05 -0.26 1.27 -1.54 0.00 0.00 0.00 175.76 175.28 1ixd s SER 95 N 0.96 6.97 -0.42 0.00 1.04 -1.26 -4.97 113.70 116.02 1ixd s SER 95 Ca 0.22 1.88 0.08 0.00 0.48 0.00 0.00 55.95 58.61 1ixd s SER 95 Cb -0.15 -2.56 0.18 0.00 0.10 0.00 0.00 66.02 63.60 1ixd s SER 95 CO 0.09 -0.65 0.63 -0.76 0.98 0.00 0.00 173.24 173.52 1ixd s LEU 96 N 2.50 -1.45 -0.21 2.42 1.43 -1.26 -5.06 118.68 117.05 1ixd s LEU 96 Ca 0.58 -0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 1ixd s LEU 96 Cb -0.26 1.89 0.04 0.00 0.03 0.00 0.00 46.19 47.89 1ixd s LEU 96 CO 0.22 -0.16 0.22 0.00 0.23 0.00 0.00 176.35 176.86 1ixd n GLN 97 N 4.22 -4.52 0.00 1.70 1.13 -1.26 -5.02 117.38 113.63 1ixd n GLN 97 Ca 0.12 3.41 0.00 0.00 -1.94 0.00 0.00 57.00 58.59 1ixd n GLN 97 Cb 0.56 -5.16 0.00 0.00 0.11 0.00 0.00 30.24 25.75 1ixd n GLN 97 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1ixd n PRO 98 N 1.58 -0.41 -1.42 -1.09 -0.04 -1.26 -4.95 135.00 127.41 1ixd n PRO 98 Ca -0.38 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.26 1ixd n PRO 98 Cb 0.58 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.96 1ixd n PRO 98 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ixd n SER 99 N -2.48 -8.15 -0.98 3.54 7.64 -1.26 -5.01 113.62 106.92 1ixd n SER 99 Ca 0.00 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1ixd n SER 99 Cb 0.00 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.45 1ixd n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ixd n GLY 100 N -4.30 4.47 3.63 0.23 0.00 -1.26 -5.07 105.19 102.89 1ixd n GLY 100 Ca -0.07 -2.10 -0.46 0.00 0.00 0.00 0.00 46.02 43.39 1ixd n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ixd n PRO 101 N -0.19 1.69 -1.67 1.61 -0.02 -1.26 -4.91 135.00 130.25 1ixd n PRO 101 Ca 0.00 0.60 0.02 0.00 -2.02 0.00 0.00 63.50 62.10 1ixd n PRO 101 Cb 0.00 -2.16 0.02 0.00 -0.02 0.00 0.00 33.50 31.34 1ixd n PRO 101 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ixd n SER 102 N 1.80 0.82 -3.15 2.55 7.64 -1.26 -5.03 113.62 117.00 1ixd n SER 102 Ca 0.11 -2.01 0.06 0.00 1.01 0.00 0.00 58.87 58.04 1ixd n SER 102 Cb 0.30 -0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 1ixd n SER 102 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ixd s SER 103 N -2.14 -0.27 0.00 6.43 0.01 -1.26 -5.33 113.70 111.14 1ixd s SER 103 Ca 0.29 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1ixd s SER 103 Cb 0.34 1.18 0.00 0.00 0.21 0.00 0.00 66.02 67.75 1ixd s SER 103 CO -0.13 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.08