#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixd s SER 2 N 0.00 5.63 -0.03 1.61 1.04 -1.26 -4.86 113.70 115.83 1ixd s SER 2 Ca 0.00 -1.69 0.22 0.00 0.48 0.00 0.00 55.95 54.97 1ixd s SER 2 Cb 0.00 -1.98 0.39 0.00 0.10 0.00 0.00 66.02 64.52 1ixd s SER 2 CO 0.00 -0.60 1.15 -1.54 0.98 0.00 0.00 173.24 173.23 1ixd n SER 3 N 4.89 0.79 0.00 7.02 3.41 -1.26 -5.13 113.62 123.35 1ixd n SER 3 Ca -0.09 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 1ixd n SER 3 Cb 0.42 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1ixd n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ixd n GLY 4 N 0.29 1.74 1.44 5.00 0.00 -1.26 -4.78 105.19 107.62 1ixd n GLY 4 Ca 0.02 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1ixd n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ixd n SER 5 N 0.08 -1.99 -4.27 1.61 3.41 -1.26 -5.09 113.62 106.12 1ixd n SER 5 Ca 0.00 -0.64 -0.20 0.00 -0.26 0.00 0.00 58.87 57.77 1ixd n SER 5 Cb 0.00 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 1ixd n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ixd s SER 6 N -2.66 1.89 -0.82 4.04 0.01 -1.26 -5.08 113.70 109.81 1ixd s SER 6 Ca 0.30 -1.46 0.02 0.00 1.31 0.00 0.00 55.95 56.11 1ixd s SER 6 Cb -0.04 0.19 0.33 0.00 0.21 0.00 0.00 66.02 66.71 1ixd s SER 6 CO 0.23 -0.76 1.46 0.61 0.41 0.00 0.00 173.24 175.20 1ixd n GLY 7 N -0.63 5.90 3.40 3.44 0.00 -1.26 -4.97 105.19 111.08 1ixd n GLY 7 Ca -0.02 -2.67 -0.45 0.00 0.00 0.00 0.00 46.02 42.89 1ixd n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ixd s LEU 8 N -3.95 5.40 -0.50 0.99 1.43 -1.26 -4.95 118.68 115.84 1ixd s LEU 8 Ca 0.44 -1.83 0.03 0.00 -1.03 0.00 0.00 54.13 51.74 1ixd s LEU 8 Cb 0.25 -2.33 0.15 0.00 0.03 0.00 0.00 46.19 44.28 1ixd s LEU 8 CO -0.15 -1.04 0.32 0.00 0.23 0.00 0.00 176.35 175.71 1ixd s ALA 9 N 2.39 2.48 -0.40 4.21 0.00 -1.26 -4.94 121.76 124.24 1ixd s ALA 9 Ca 0.21 -2.91 0.03 0.00 0.00 0.00 0.00 51.96 49.29 1ixd s ALA 9 Cb -0.14 -1.92 0.28 0.00 0.00 0.00 0.00 23.12 21.34 1ixd s ALA 9 CO -0.02 -2.05 1.12 0.00 0.00 0.00 0.00 175.76 174.81 1ixd n MET 10 N 3.01 0.47 -0.12 0.00 0.00 -1.26 -4.82 117.12 114.40 1ixd n MET 10 Ca 0.15 -1.22 -0.06 0.00 0.00 0.00 0.00 57.70 56.57 1ixd n MET 10 Cb 0.37 -0.76 0.02 0.00 0.00 0.00 0.00 33.22 32.86 1ixd n MET 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1ixd h PRO 11 N 3.29 0.34 0.04 3.17 0.11 -1.96 -2.95 132.00 134.04 1ixd h PRO 11 Ca -0.20 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.66 1ixd h PRO 11 Cb 1.13 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1ixd h PRO 11 CO 0.06 0.22 -1.07 -1.00 -0.21 0.00 0.00 178.00 176.00 1ixd h PRO 12 N 0.35 0.07 0.00 1.05 0.13 -1.99 -3.50 132.00 128.11 1ixd h PRO 12 Ca 0.18 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1ixd h PRO 12 Cb 0.12 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.30 1ixd h PRO 12 CO -0.15 1.06 0.00 0.41 -0.23 0.00 0.00 178.00 179.09 1ixd n GLY 13 N 1.40 0.74 2.07 1.56 0.00 -1.12 -5.16 105.19 104.69 1ixd n GLY 13 Ca -0.02 -1.78 0.17 0.00 0.00 0.00 0.00 46.02 44.39 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 -8.18 -0.08 1.61 3.02 -1.26 -4.65 115.26 105.72 1ixd n ASN 14 Ca 0.00 1.36 -0.14 0.00 -0.03 0.00 0.00 54.58 55.77 1ixd n ASN 14 Cb 0.00 -3.82 -0.09 0.00 -0.61 0.00 0.00 39.78 35.25 1ixd n ASN 14 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1ixd h SER 15 N -1.17 0.00 0.00 6.41 4.64 -1.94 -3.47 113.55 118.01 1ixd h SER 15 Ca 0.03 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1ixd h SER 15 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1ixd h SER 15 CO 0.01 1.09 0.00 1.41 -0.87 0.00 0.00 176.83 178.47 1ixd n HIS 16 N -4.56 -0.32 -2.65 4.77 8.25 -1.26 -4.87 115.22 114.58 1ixd n HIS 16 Ca -0.17 0.06 -0.03 0.00 -0.26 0.00 0.00 57.72 57.31 1ixd n HIS 16 Cb 0.47 0.18 0.05 0.00 1.12 0.00 0.00 29.99 31.81 1ixd n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ixd n GLY 17 N 2.82 -1.97 3.44 -1.41 0.00 -1.26 -4.95 105.19 101.86 1ixd n GLY 17 Ca 0.00 1.36 -0.44 0.00 0.00 0.00 0.00 46.02 46.94 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 0.67 4.95 0.37 0.99 1.43 -1.26 -5.02 118.68 120.81 1ixd s LEU 18 Ca 0.23 -0.95 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1ixd s LEU 18 Cb 0.17 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 1ixd s LEU 18 CO -0.10 -0.96 0.19 -1.83 0.23 0.00 0.00 176.35 173.87 1ixd s GLU 19 N 2.77 1.82 0.38 1.70 -1.05 -1.26 -5.09 118.70 117.96 1ixd s GLU 19 Ca 0.16 -2.08 -0.28 0.00 -0.15 0.00 0.00 54.97 52.62 1ixd s GLU 19 Cb -0.19 -0.20 -0.11 0.00 -0.44 0.00 0.00 34.13 33.18 1ixd s GLU 19 CO 0.12 -0.54 1.48 0.08 0.95 0.00 0.00 175.26 177.35 1ixd s VAL 20 N -3.36 2.06 0.00 1.83 1.01 -1.26 -2.41 120.40 118.26 1ixd s VAL 20 Ca 0.31 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1ixd s VAL 20 Cb 0.03 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1ixd s VAL 20 CO 0.19 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1ixd n GLY 21 N 0.46 3.02 3.93 4.51 0.00 -1.12 -5.00 105.19 110.98 1ixd n GLY 21 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 0.58 6.34 0.27 1.61 0.01 -1.01 -4.86 113.70 116.64 1ixd s SER 22 Ca 0.00 0.59 -0.10 0.00 1.31 0.00 0.00 55.95 57.75 1ixd s SER 22 Cb 0.00 -2.09 -0.07 0.00 0.21 0.00 0.00 66.02 64.07 1ixd s SER 22 CO 0.00 -0.30 0.61 -0.76 0.41 0.00 0.00 173.24 173.20 1ixd s LEU 23 N -4.12 4.10 0.12 2.44 1.43 -1.26 -1.38 118.68 120.00 1ixd s LEU 23 Ca 0.42 0.99 -0.18 0.00 -1.03 0.00 0.00 54.13 54.33 1ixd s LEU 23 Cb -0.10 -3.78 0.04 0.00 0.03 0.00 0.00 46.19 42.39 1ixd s LEU 23 CO 0.35 -0.14 0.46 0.00 0.23 0.00 0.00 176.35 177.24 1ixd s ALA 24 N -1.93 -1.12 0.05 4.21 0.00 -1.03 -2.56 121.76 119.38 1ixd s ALA 24 Ca 0.49 0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.69 1ixd s ALA 24 Cb -0.11 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 1ixd s ALA 24 CO 0.22 -0.64 -0.23 -2.00 0.00 0.00 0.00 175.76 173.11 1ixd s GLU 25 N -3.56 1.53 -0.15 0.00 2.12 0.22 -3.67 118.70 115.18 1ixd s GLU 25 Ca 0.01 -1.04 -0.02 0.00 0.36 0.00 0.00 54.97 54.29 1ixd s GLU 25 Cb 0.01 -1.69 -0.02 0.00 0.26 0.00 0.00 34.13 32.69 1ixd s GLU 25 CO -0.11 0.43 -0.09 0.08 -0.54 0.00 0.00 175.26 175.03 1ixd s VAL 26 N -0.83 3.29 0.12 3.70 1.01 -1.26 0.93 120.40 127.35 1ixd s VAL 26 Ca 0.09 -0.56 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 1ixd s VAL 26 Cb -0.09 -2.42 -0.10 0.00 0.00 0.00 0.00 36.38 33.76 1ixd s VAL 26 CO 0.02 0.50 1.83 -1.59 0.00 0.00 0.00 175.10 175.86 1ixd s LYS 27 N 0.60 4.14 -0.03 2.72 -2.85 -1.26 -4.84 119.74 118.23 1ixd s LYS 27 Ca -0.06 2.59 -0.30 0.00 -1.00 0.00 0.00 55.97 57.20 1ixd s LYS 27 Cb -0.15 -3.61 0.11 0.00 -2.06 0.00 0.00 37.83 32.12 1ixd s LYS 27 CO 0.03 -0.84 1.30 -2.00 0.10 0.00 0.00 175.35 173.94 1ixd s GLU 28 N 2.79 0.35 0.06 1.78 -6.30 -1.26 -5.06 118.70 111.05 1ixd s GLU 28 Ca 0.81 -0.21 -0.36 0.00 -2.50 0.00 0.00 54.97 52.71 1ixd s GLU 28 Cb -0.46 0.11 -0.20 0.00 0.00 0.00 0.00 34.13 33.58 1ixd s GLU 28 CO 0.36 -0.16 1.53 -0.91 0.02 0.00 0.00 175.26 176.10 1ixd h ASN 29 N 2.00 -1.08 -3.36 -1.70 2.35 -2.05 -3.40 115.58 108.35 1ixd h ASN 29 Ca -0.27 0.04 -0.56 0.00 -0.55 0.00 0.00 56.30 54.95 1ixd h ASN 29 Cb 1.19 0.28 -0.06 0.00 0.05 0.00 0.00 38.32 39.78 1ixd h ASN 29 CO 0.30 -0.75 1.04 -2.16 -1.65 0.00 0.00 177.43 174.21 1ixd s PRO 30 N -5.85 3.59 -0.98 0.81 0.04 -1.26 -4.95 135.00 126.40 1ixd s PRO 30 Ca -0.19 0.83 -0.24 0.00 0.04 0.00 0.00 61.00 61.44 1ixd s PRO 30 Cb 0.02 -4.01 -0.06 0.00 0.04 0.00 0.00 34.50 30.50 1ixd s PRO 30 CO 0.58 -1.55 1.94 -1.25 0.04 0.00 0.00 177.00 176.76 1ixd s PRO 31 N 4.87 2.56 0.25 0.56 0.04 -1.26 -4.94 135.00 137.08 1ixd s PRO 31 Ca 0.58 -0.54 0.07 0.00 0.04 0.00 0.00 61.00 61.15 1ixd s PRO 31 Cb -0.12 -5.12 -0.03 0.00 0.04 0.00 0.00 34.50 29.27 1ixd s PRO 31 CO 0.32 -3.51 0.24 -0.59 0.04 0.00 0.00 177.00 173.50 1ixd s PHE 32 N 10.22 3.19 -0.08 0.56 -0.12 -1.26 -5.12 117.98 125.37 1ixd s PHE 32 Ca 0.69 -0.09 0.02 0.00 -0.05 0.00 0.00 56.93 57.50 1ixd s PHE 32 Cb -0.05 -1.45 0.02 0.00 -0.63 0.00 0.00 43.02 40.91 1ixd s PHE 32 CO 0.03 0.49 -0.11 0.71 -0.05 0.00 0.00 175.22 176.29 1ixd s TYR 33 N -2.10 1.43 0.06 3.49 2.02 -1.26 -4.62 117.35 116.38 1ixd s TYR 33 Ca 0.33 -0.57 -0.12 0.00 -0.37 0.00 0.00 57.07 56.34 1ixd s TYR 33 Cb -0.08 -1.09 0.01 0.00 -0.40 0.00 0.00 41.96 40.40 1ixd s TYR 33 CO 0.26 -0.33 0.27 0.20 -1.57 0.00 0.00 175.55 174.38 1ixd s GLY 34 N 0.92 -0.06 -0.07 0.71 0.00 -1.24 -2.68 107.32 104.90 1ixd s GLY 34 Ca -0.10 -0.21 -0.06 0.00 0.00 0.00 0.00 44.72 44.35 1ixd s GLY 34 CO 0.01 -0.42 0.17 0.54 0.00 0.00 0.00 173.10 173.40 1ixd s VAL 35 N -3.05 5.45 0.54 1.40 0.11 -1.06 -2.46 120.40 121.33 1ixd s VAL 35 Ca -0.01 0.10 -0.22 0.00 -2.93 0.00 0.00 61.98 58.92 1ixd s VAL 35 Cb 0.01 -3.47 -0.05 0.00 -1.53 0.00 0.00 36.38 31.34 1ixd s VAL 35 CO -0.06 0.50 1.32 -0.63 -3.33 0.00 0.00 175.10 172.89 1ixd s ILE 36 N -1.15 2.26 0.10 7.04 1.01 -0.48 -0.60 121.20 129.38 1ixd s ILE 36 Ca 0.20 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1ixd s ILE 36 Cb -0.12 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1ixd s ILE 36 CO 0.10 -0.00 0.00 0.54 0.00 0.00 0.00 174.94 175.58 1ixd n ARG 37 N -0.98 0.00 -5.07 2.79 5.12 0.30 -2.80 116.66 116.02 1ixd n ARG 37 Ca 0.10 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.70 1ixd n ARG 37 Cb 0.46 -0.12 -0.16 0.00 -1.16 0.00 0.00 32.46 31.48 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 -1.50 2.60 -0.27 -1.55 -0.00 -1.25 -4.75 118.94 112.22 1ixd s TRP 38 Ca 0.00 -0.70 0.01 0.00 -0.00 0.00 0.00 56.10 55.42 1ixd s TRP 38 Cb 0.00 -1.69 0.08 0.00 -0.00 0.00 0.00 33.47 31.85 1ixd s TRP 38 CO 0.00 -0.21 -0.01 0.42 -0.00 0.00 0.00 176.95 177.16 1ixd s ILE 39 N 0.01 1.65 0.00 5.86 1.01 -1.25 0.67 121.20 129.15 1ixd s ILE 39 Ca -0.07 -1.55 0.00 0.00 0.00 0.00 0.00 60.65 59.03 1ixd s ILE 39 Cb -0.15 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.30 1ixd s ILE 39 CO 0.05 -0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.29 1ixd n GLY 40 N 4.58 1.60 2.91 6.18 0.00 -1.13 -4.91 105.19 114.42 1ixd n GLY 40 Ca -0.07 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.85 1.55 0.92 1.61 -0.21 -1.26 -1.05 119.66 119.37 1ixd s GLN 41 Ca 0.00 -0.58 -0.11 0.00 0.02 0.00 0.00 55.36 54.69 1ixd s GLN 41 Cb 0.00 -2.09 0.11 0.00 1.00 0.00 0.00 33.01 32.03 1ixd s GLN 41 CO 0.00 -0.43 0.91 -2.30 -2.12 0.00 0.00 175.29 171.35 1ixd n PRO 42 N 4.84 -0.37 -2.17 2.91 -0.02 -1.26 -4.84 135.00 134.09 1ixd n PRO 42 Ca -0.12 -0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.00 1ixd n PRO 42 Cb 0.47 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 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 -4.28 2.80 0.00 0.52 0.04 -1.26 -3.35 135.00 129.47 1ixd s PRO 43 Ca 0.64 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.01 1ixd s PRO 43 Cb -0.23 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1ixd s PRO 43 CO 0.61 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.83 1ixd n GLY 44 N 6.61 1.47 3.05 0.56 0.00 -1.26 -5.10 105.19 110.52 1ixd n GLY 44 Ca 0.40 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 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 3.01 -0.46 0.99 2.34 -1.21 -5.08 118.68 118.27 1ixd s LEU 45 Ca 0.00 -1.20 -0.28 0.00 0.06 0.00 0.00 54.13 52.71 1ixd s LEU 45 Cb 0.00 -1.45 0.00 0.00 -0.56 0.00 0.00 46.19 44.18 1ixd s LEU 45 CO 0.00 -0.16 1.53 0.21 -1.06 0.00 0.00 176.35 176.87 1ixd s ASN 46 N 1.20 6.09 -0.30 1.48 3.84 -1.26 -4.09 114.94 121.90 1ixd s ASN 46 Ca -0.06 0.71 -0.14 0.00 0.21 0.00 0.00 52.86 53.59 1ixd s ASN 46 Cb -0.18 -2.54 0.15 0.00 -0.55 0.00 0.00 41.25 38.13 1ixd s ASN 46 CO -0.07 -1.66 0.89 -1.83 -2.79 0.00 0.00 177.10 171.64 1ixd s GLU 47 N 5.44 0.39 -0.38 0.43 -1.05 -1.26 -5.10 118.70 117.17 1ixd s GLU 47 Ca 0.63 0.93 -0.27 0.00 -0.15 0.00 0.00 54.97 56.11 1ixd s GLU 47 Cb -0.14 0.52 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 1ixd s GLU 47 CO 0.29 -0.13 2.21 0.08 0.95 0.00 0.00 175.26 178.66 1ixd s VAL 48 N 2.47 3.10 -0.25 1.83 1.01 -1.26 -4.22 120.40 123.08 1ixd s VAL 48 Ca -0.04 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1ixd s VAL 48 Cb -0.07 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 1ixd s VAL 48 CO -0.18 -0.15 0.01 -0.76 0.00 0.00 0.00 175.10 174.02 1ixd s LEU 49 N 9.76 3.26 -0.35 3.92 1.43 -0.22 0.11 118.68 136.60 1ixd s LEU 49 Ca 0.93 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 53.38 1ixd s LEU 49 Cb -0.23 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 1ixd s LEU 49 CO 0.30 -0.07 0.49 0.00 0.23 0.00 0.00 176.35 177.29 1ixd s ALA 50 N 1.50 3.48 -0.55 4.21 0.00 0.23 -2.82 121.76 127.81 1ixd s ALA 50 Ca 0.05 -1.05 -0.27 0.00 0.00 0.00 0.00 51.96 50.69 1ixd s ALA 50 Cb -0.15 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1ixd s ALA 50 CO -0.01 -1.20 1.72 0.20 0.00 0.00 0.00 175.76 176.48 1ixd s GLY 51 N 1.76 0.49 -0.00 0.00 0.00 0.21 -3.18 107.32 106.59 1ixd s GLY 51 Ca 0.17 -0.52 -0.19 0.00 0.00 0.00 0.00 44.72 44.19 1ixd s GLY 51 CO 0.13 3.22 0.53 1.08 0.00 0.00 0.00 173.10 178.05 1ixd s LEU 52 N 7.85 4.43 -0.40 0.66 1.43 -1.08 0.11 118.68 131.68 1ixd s LEU 52 Ca 0.65 1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 54.71 1ixd s LEU 52 Cb -0.14 -2.80 0.04 0.00 0.03 0.00 0.00 46.19 43.32 1ixd s LEU 52 CO 0.24 0.18 0.25 -0.70 0.23 0.00 0.00 176.35 176.55 1ixd s GLU 53 N -0.47 2.82 0.24 1.70 2.12 0.23 -0.43 118.70 124.92 1ixd s GLU 53 Ca 0.28 -1.18 -0.30 0.00 0.36 0.00 0.00 54.97 54.13 1ixd s GLU 53 Cb -0.18 -3.83 -0.10 0.00 0.26 0.00 0.00 34.13 30.29 1ixd s GLU 53 CO 0.16 -0.79 1.42 -0.51 -0.54 0.00 0.00 175.26 174.99 1ixd s LEU 54 N 1.56 4.39 0.31 2.70 1.43 -0.96 -2.58 118.68 125.54 1ixd s LEU 54 Ca 0.03 2.62 0.09 0.00 -1.03 0.00 0.00 54.13 55.83 1ixd s LEU 54 Cb -0.20 -3.62 0.51 0.00 0.03 0.00 0.00 46.19 42.91 1ixd s LEU 54 CO 0.06 -0.67 1.72 -0.33 0.23 0.00 0.00 176.35 177.36 1ixd h GLU 55 N 5.10 0.14 -5.17 1.70 4.39 -1.85 -3.42 114.58 115.47 1ixd h GLU 55 Ca -0.46 -0.07 -0.62 0.00 0.34 0.00 0.00 59.36 58.56 1ixd h GLU 55 Cb 1.22 -0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.71 1ixd h GLU 55 CO 0.78 0.55 -0.53 0.34 -1.16 0.00 0.00 179.01 178.98 1ixd s ASP 56 N -6.89 5.86 -0.69 1.42 -1.08 -1.26 -5.01 116.67 109.02 1ixd s ASP 56 Ca -0.04 0.09 -0.26 0.00 -0.52 0.00 0.00 52.55 51.83 1ixd s ASP 56 Cb 0.14 -2.03 -0.10 0.00 -1.46 0.00 0.00 42.92 39.46 1ixd s ASP 56 CO 0.76 0.11 2.36 -1.61 0.52 0.00 0.00 175.17 177.31 1ixd s GLU 57 N 0.74 1.86 -0.22 4.34 2.02 -1.26 -4.79 118.70 121.40 1ixd s GLU 57 Ca 0.06 0.76 -0.16 0.00 0.02 0.00 0.00 54.97 55.65 1ixd s GLU 57 Cb -0.13 -4.72 -0.04 0.00 0.10 0.00 0.00 34.13 29.34 1ixd s GLU 57 CO 0.02 -3.93 0.40 0.00 0.02 0.00 0.00 175.26 171.77 1ixd s ALA 59 N 1.54 3.37 0.00 0.00 0.00 -1.26 -3.16 121.76 122.25 1ixd s ALA 59 Ca 0.18 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1ixd s ALA 59 Cb -0.15 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1ixd s ALA 59 CO 0.08 -1.82 0.00 0.41 0.00 0.00 0.00 175.76 174.43 1ixd n GLY 60 N 4.64 1.42 3.97 0.00 0.00 -1.26 -5.14 105.19 108.82 1ixd n GLY 60 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.91 0.00 -1.13 0.00 -2.24 -1.19 -4.08 114.28 102.73 1ixd n THR 62 Ca 0.13 -1.51 -0.26 0.00 -2.27 0.00 0.00 64.05 60.14 1ixd n THR 62 Cb 0.60 -0.31 0.13 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.08 5.23 0.00 3.42 5.75 -1.26 -2.17 116.55 125.45 1ixd n ASP 63 Ca 0.03 -3.56 0.00 0.00 -0.01 0.00 0.00 54.79 51.25 1ixd n ASP 63 Cb 0.44 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 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 -0.89 1.13 2.87 6.12 0.00 -1.26 -3.61 105.19 109.54 1ixd n GLY 64 Ca 0.56 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.32 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 0.87 -0.35 2.61 -4.23 -1.26 -3.18 115.64 108.10 1ixd s THR 65 Ca 0.00 -0.25 -0.06 0.00 -1.18 0.00 0.00 61.69 60.20 1ixd s THR 65 Cb 0.00 -0.96 0.05 0.00 1.34 0.00 0.00 72.50 72.93 1ixd s THR 65 CO 0.00 0.29 0.12 0.12 -0.54 0.00 0.00 174.62 174.61 1ixd s PHE 66 N 1.76 3.29 -1.52 3.99 5.36 -1.15 -4.57 117.98 125.14 1ixd s PHE 66 Ca 0.04 -1.57 -0.05 0.00 -0.96 0.00 0.00 56.93 54.39 1ixd s PHE 66 Cb -0.13 -2.41 0.01 0.00 -0.34 0.00 0.00 43.02 40.15 1ixd s PHE 66 CO -0.07 -0.77 0.69 0.54 -1.46 0.00 0.00 175.22 174.14 1ixd n ARG 67 N 4.78 -5.33 -2.01 10.12 1.74 -1.26 -1.78 116.66 122.92 1ixd n ARG 67 Ca -0.11 0.90 -0.06 0.00 -0.77 0.00 0.00 57.85 57.80 1ixd n ARG 67 Cb 0.44 -5.77 -0.01 0.00 -1.02 0.00 0.00 32.46 26.10 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 -1.60 0.20 2.79 -0.13 0.00 -1.26 -5.01 105.19 100.18 1ixd n GLY 68 Ca -0.10 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.30 1.52 0.06 2.61 2.01 -0.73 -5.10 115.64 113.71 1ixd s THR 69 Ca 0.00 -2.30 -0.30 0.00 0.31 0.00 0.00 61.69 59.39 1ixd s THR 69 Cb 0.00 -2.09 -0.09 0.00 0.01 0.00 0.00 72.50 70.33 1ixd s THR 69 CO 0.00 -0.78 1.83 -0.60 -0.69 0.00 0.00 174.62 174.37 1ixd s ARG 70 N 0.69 4.16 -0.15 4.92 3.52 -1.26 -2.91 118.95 127.92 1ixd s ARG 70 Ca 0.15 2.50 0.01 0.00 -0.13 0.00 0.00 55.73 58.26 1ixd s ARG 70 Cb -0.22 -3.85 -0.10 0.00 -1.56 0.00 0.00 34.95 29.22 1ixd s ARG 70 CO -0.08 -0.86 -0.13 0.66 -0.81 0.00 0.00 175.30 174.08 1ixd n TYR 71 N 6.53 0.00 -4.09 5.12 4.01 -1.19 -5.02 117.16 122.52 1ixd n TYR 71 Ca 0.18 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.79 1ixd n TYR 71 Cb 0.40 -0.57 -0.06 0.00 -0.31 0.00 0.00 39.34 38.81 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 -2.29 0.91 -0.26 -0.72 -0.71 -1.26 -4.97 117.98 108.68 1ixd s PHE 72 Ca -0.20 -1.16 -0.06 0.00 -1.04 0.00 0.00 56.93 54.47 1ixd s PHE 72 Cb 0.05 -0.13 -0.01 0.00 -1.21 0.00 0.00 43.02 41.72 1ixd s PHE 72 CO 0.34 -0.98 0.04 -0.08 -1.34 0.00 0.00 175.22 173.20 1ixd s THR 73 N -3.59 3.90 0.31 -4.49 -1.32 -1.26 -4.66 115.64 104.53 1ixd s THR 73 Ca 0.30 -0.47 0.05 0.00 -1.21 0.00 0.00 61.69 60.37 1ixd s THR 73 Cb 0.01 -2.89 -0.02 0.00 -1.51 0.00 0.00 72.50 68.10 1ixd s THR 73 CO 0.16 0.26 0.30 0.00 -2.21 0.00 0.00 174.62 173.13 1ixd s ALA 75 N -3.13 2.68 0.37 0.00 0.00 -1.26 -4.77 121.76 115.65 1ixd s ALA 75 Ca 0.35 0.30 -0.27 0.00 0.00 0.00 0.00 51.96 52.34 1ixd s ALA 75 Cb 0.01 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 1ixd s ALA 75 CO 0.25 -1.02 1.19 -0.51 0.00 0.00 0.00 175.76 175.67 1ixd s LEU 76 N -4.93 4.30 -1.42 0.00 1.43 -1.26 -3.13 118.68 113.68 1ixd s LEU 76 Ca 0.62 2.41 -0.06 0.00 -1.03 0.00 0.00 54.13 56.07 1ixd s LEU 76 Cb -0.16 -3.88 0.01 0.00 0.03 0.00 0.00 46.19 42.19 1ixd s LEU 76 CO 0.44 -0.56 0.80 0.29 0.23 0.00 0.00 176.35 177.55 1ixd n LYS 77 N 0.41 -5.87 -2.54 1.70 4.76 -1.19 -4.83 118.16 110.61 1ixd n LYS 77 Ca 0.02 0.84 -0.01 0.00 -2.87 0.00 0.00 58.31 56.30 1ixd n LYS 77 Cb 0.45 -5.69 0.07 0.00 -1.84 0.00 0.00 35.03 28.02 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 -4.25 1.34 -3.48 1.97 5.02 -1.14 -0.75 118.16 116.86 1ixd n LYS 78 Ca -0.06 -2.45 -0.24 0.00 -2.02 0.00 0.00 58.31 53.54 1ixd n LYS 78 Cb 0.59 -0.65 -0.13 0.00 -0.02 0.00 0.00 35.03 34.83 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 -1.90 0.21 -0.38 7.82 0.00 -0.92 -2.26 121.76 124.32 1ixd s ALA 79 Ca 0.20 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 1ixd s ALA 79 Cb 0.35 -1.58 0.09 0.00 0.00 0.00 0.00 23.12 21.98 1ixd s ALA 79 CO -0.08 -1.72 0.16 -1.17 0.00 0.00 0.00 175.76 172.95 1ixd s LEU 80 N 2.10 4.90 0.35 0.00 2.96 0.43 -3.15 118.68 126.28 1ixd s LEU 80 Ca 0.10 -1.75 -0.27 0.00 -0.22 0.00 0.00 54.13 51.99 1ixd s LEU 80 Cb -0.16 -1.83 -0.09 0.00 0.50 0.00 0.00 46.19 44.62 1ixd s LEU 80 CO -0.32 -0.47 1.11 -0.36 -1.32 0.00 0.00 176.35 174.99 1ixd s PHE 81 N 1.22 3.33 0.24 5.38 0.08 -1.26 -2.64 117.98 124.32 1ixd s PHE 81 Ca 0.04 1.63 -0.20 0.00 0.12 0.00 0.00 56.93 58.53 1ixd s PHE 81 Cb -0.22 -3.29 0.03 0.00 -0.57 0.00 0.00 43.02 38.97 1ixd s PHE 81 CO -0.02 -0.84 0.62 0.14 -0.10 0.00 0.00 175.22 175.02 1ixd s VAL 82 N -1.37 0.01 -0.02 -0.44 -7.23 -1.19 -4.95 120.40 105.21 1ixd s VAL 82 Ca 0.52 -0.83 -0.30 0.00 -1.81 0.00 0.00 61.98 59.56 1ixd s VAL 82 Cb -0.29 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 1ixd s VAL 82 CO 0.37 -0.03 1.24 -0.54 -0.31 0.00 0.00 175.10 175.84 1ixd s LYS 83 N -3.89 4.35 0.25 4.82 1.02 -1.26 0.77 119.74 125.80 1ixd s LYS 83 Ca 0.10 1.76 -0.03 0.00 0.02 0.00 0.00 55.97 57.82 1ixd s LYS 83 Cb -0.03 -3.52 0.44 0.00 -0.52 0.00 0.00 37.83 34.20 1ixd s LYS 83 CO 0.01 -0.44 1.80 1.25 -0.92 0.00 0.00 175.35 177.06 1ixd h LEU 84 N 7.94 0.64 -2.19 3.17 5.85 0.52 0.13 115.31 131.38 1ixd h LEU 84 Ca -0.36 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1ixd h LEU 84 Cb 1.18 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1ixd h LEU 84 CO 0.87 0.34 -0.05 0.07 -0.34 0.00 0.00 178.44 179.33 1ixd h LYS 85 N 0.75 0.00 -0.98 1.25 2.10 -1.92 -1.82 116.57 115.95 1ixd h LYS 85 Ca 0.42 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 58.62 1ixd h LYS 85 Cb 0.44 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 31.51 1ixd h LYS 85 CO -0.28 0.05 0.57 0.43 -2.00 0.00 0.00 179.45 178.22 1ixd n SER 86 N -3.41 3.78 -4.70 7.07 7.64 0.46 -4.94 113.62 119.52 1ixd n SER 86 Ca -0.02 -3.43 -0.26 0.00 1.01 0.00 0.00 58.87 56.17 1ixd n SER 86 Cb 0.19 -0.80 -0.09 0.00 -1.01 0.00 0.00 64.21 62.50 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 -3.84 0.14 0.11 0.00 3.52 0.26 -4.92 118.95 114.22 1ixd s ARG 88 Ca 0.39 -0.15 -0.34 0.00 -0.13 0.00 0.00 55.73 55.50 1ixd s ARG 88 Cb 0.06 0.06 -0.14 0.00 -1.56 0.00 0.00 34.95 33.37 1ixd s ARG 88 CO 0.21 -0.02 1.60 -2.30 -0.81 0.00 0.00 175.30 173.98 1ixd n PRO 89 N 2.58 2.05 -3.63 5.12 -0.02 -1.26 0.73 135.00 140.56 1ixd n PRO 89 Ca -0.16 0.74 -0.39 0.00 -2.02 0.00 0.00 63.50 61.68 1ixd n PRO 89 Cb 0.58 -2.51 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 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 1.40 5.67 -0.47 2.55 2.15 -1.06 -4.68 116.67 122.23 1ixd s ASP 90 Ca 0.82 -0.38 0.02 0.00 0.43 0.00 0.00 52.55 53.44 1ixd s ASP 90 Cb -0.71 -2.04 0.58 0.00 -0.30 0.00 0.00 42.92 40.45 1ixd s ASP 90 CO 0.41 -0.16 1.90 -0.24 -0.17 0.00 0.00 175.17 176.91 1ixd n SER 91 N 5.01 4.63 0.13 -0.34 2.88 -1.26 -4.50 113.62 120.17 1ixd n SER 91 Ca -0.14 -3.55 0.02 0.00 -1.33 0.00 0.00 58.87 53.87 1ixd n SER 91 Cb 0.50 -0.86 0.36 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.17 0.18 -0.09 -1.46 2.47 -1.96 -3.21 114.38 111.48 1ixd h ARG 92 Ca 0.59 -0.05 -0.16 0.00 -1.26 0.00 0.00 59.98 59.10 1ixd h ARG 92 Cb 2.29 -0.02 -0.30 0.00 -1.65 0.00 0.00 29.97 30.29 1ixd h ARG 92 CO 1.15 0.41 -0.91 1.19 0.56 0.00 0.00 179.97 182.36 1ixd n PHE 93 N -4.20 0.28 -2.39 3.04 3.01 -1.26 -5.09 117.46 110.85 1ixd n PHE 93 Ca -0.01 -1.01 -0.41 0.00 1.01 0.00 0.00 57.45 57.03 1ixd n PHE 93 Cb 0.33 -0.19 -0.04 0.00 -0.01 0.00 0.00 39.48 39.57 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 -1.39 3.43 0.26 4.37 0.00 -1.22 -5.02 121.76 122.19 1ixd s ALA 94 Ca 0.35 0.95 -0.18 0.00 0.00 0.00 0.00 51.96 53.08 1ixd s ALA 94 Cb 0.38 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 20.02 1ixd s ALA 94 CO -0.12 -0.32 0.73 -1.12 0.00 0.00 0.00 175.76 174.93 1ixd s SER 95 N -0.22 6.95 -0.09 0.00 0.01 -1.26 -5.02 113.70 114.06 1ixd s SER 95 Ca 0.50 1.37 -0.10 0.00 1.31 0.00 0.00 55.95 59.02 1ixd s SER 95 Cb -0.33 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 1ixd s SER 95 CO 0.39 -0.07 -0.20 -0.11 0.41 0.00 0.00 173.24 173.66 1ixd n LEU 96 N 0.28 1.26 -2.84 2.44 7.94 -1.26 -5.08 117.00 119.73 1ixd n LEU 96 Ca 0.00 0.21 -0.06 0.00 -1.11 0.00 0.00 56.01 55.04 1ixd n LEU 96 Cb 0.52 -0.59 0.01 0.00 0.53 0.00 0.00 43.42 43.88 1ixd n LEU 96 CO 0.42 -0.40 0.10 0.00 -1.11 0.00 0.00 177.39 176.40 1ixd n GLN 97 N -3.75 -2.13 -1.48 1.96 1.13 -1.26 -4.78 117.38 107.06 1ixd n GLN 97 Ca -0.08 1.97 -0.46 0.00 -1.94 0.00 0.00 57.00 56.49 1ixd n GLN 97 Cb 0.30 -5.56 -0.07 0.00 0.11 0.00 0.00 30.24 25.02 1ixd n GLN 97 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1ixd n PRO 98 N -0.55 1.06 0.00 -1.09 -0.02 -1.26 -4.59 135.00 128.55 1ixd n PRO 98 Ca 0.10 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1ixd n PRO 98 Cb 0.45 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1ixd n PRO 98 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ixd n SER 99 N 11.14 -0.02 0.00 2.55 7.64 -1.26 -5.17 113.62 128.51 1ixd n SER 99 Ca 0.42 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1ixd n SER 99 Cb 0.29 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 1.14 -0.03 3.68 0.23 0.00 -1.26 -5.01 105.19 103.94 1ixd n GLY 100 Ca 0.00 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 1ixd n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ixd s PRO 101 N 0.00 0.46 -0.10 1.61 0.04 -1.26 -5.03 135.00 130.72 1ixd s PRO 101 Ca 0.00 0.54 -0.06 0.00 0.04 0.00 0.00 61.00 61.52 1ixd s PRO 101 Cb 0.00 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 1ixd s PRO 101 CO 0.00 -2.72 -0.15 0.43 0.04 0.00 0.00 177.00 174.60 1ixd n SER 102 N -4.17 0.98 0.02 6.66 7.64 -1.26 -4.98 113.62 118.51 1ixd n SER 102 Ca 0.05 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1ixd n SER 102 Cb 0.57 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1ixd n SER 102 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ixd n SER 103 N -3.62 0.11 -0.41 6.43 2.88 -1.26 -5.31 113.62 112.44 1ixd n SER 103 Ca -0.20 0.06 0.05 0.00 -1.33 0.00 0.00 58.87 57.45 1ixd n SER 103 Cb 0.57 -0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.07 1ixd n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42