#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixd n SER 2 N 0.00 1.08 -1.40 1.61 7.64 -1.26 -4.82 113.62 116.47 1ixd n SER 2 Ca 0.00 0.17 -0.08 0.00 1.01 0.00 0.00 58.87 59.97 1ixd n SER 2 Cb 0.00 -0.50 0.11 0.00 -1.01 0.00 0.00 64.21 62.81 1ixd n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ixd n SER 3 N -3.56 3.15 -0.14 6.43 3.41 -1.26 -5.10 113.62 116.55 1ixd n SER 3 Ca -0.06 -3.65 0.02 0.00 -0.26 0.00 0.00 58.87 54.92 1ixd n SER 3 Cb 0.22 -0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 63.73 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 -0.83 -1.73 1.19 5.00 0.00 -1.26 -4.68 105.19 102.88 1ixd n GLY 4 Ca 0.29 -1.48 -0.06 0.00 0.00 0.00 0.00 46.02 44.77 1ixd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ixd n SER 5 N -2.11 3.04 -4.78 1.61 2.88 -1.26 -4.76 113.62 108.25 1ixd n SER 5 Ca -0.00 -3.84 -0.26 0.00 -1.33 0.00 0.00 58.87 53.43 1ixd n SER 5 Cb 0.06 -0.46 -0.06 0.00 -0.75 0.00 0.00 64.21 63.01 1ixd n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ixd s SER 6 N -3.35 5.40 1.01 -3.46 0.01 -1.26 -4.97 113.70 107.08 1ixd s SER 6 Ca 0.44 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.52 1ixd s SER 6 Cb 0.39 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 65.24 1ixd s SER 6 CO -0.02 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1ixd n GLY 7 N -0.33 0.38 3.06 3.44 0.00 -1.26 -4.72 105.19 105.76 1ixd n GLY 7 Ca -0.08 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 1.77 0.12 0.99 1.43 -1.26 -5.12 118.68 116.60 1ixd s LEU 8 Ca 0.00 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.42 1ixd s LEU 8 Cb 0.00 -1.16 0.06 0.00 0.03 0.00 0.00 46.19 45.11 1ixd s LEU 8 CO 0.00 0.01 0.54 0.00 0.23 0.00 0.00 176.35 177.12 1ixd s ALA 9 N 1.10 -1.38 -0.43 4.21 0.00 -1.26 -5.13 121.76 118.87 1ixd s ALA 9 Ca -0.04 0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.41 1ixd s ALA 9 Cb -0.14 0.68 0.18 0.00 0.00 0.00 0.00 23.12 23.84 1ixd s ALA 9 CO -0.04 -0.66 0.60 -1.64 0.00 0.00 0.00 175.76 174.03 1ixd s MET 10 N -3.35 0.85 0.15 0.00 -1.94 -1.25 -5.04 119.30 108.73 1ixd s MET 10 Ca -0.00 -0.57 -0.16 0.00 -1.71 0.00 0.00 55.69 53.24 1ixd s MET 10 Cb -0.00 -0.10 0.04 0.00 2.01 0.00 0.00 34.83 36.78 1ixd s MET 10 CO -0.09 -1.23 1.77 -1.35 -0.01 0.00 0.00 175.02 174.12 1ixd h PRO 11 N 6.55 0.34 -0.10 2.03 0.11 -1.86 -1.89 132.00 137.18 1ixd h PRO 11 Ca 0.06 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.18 1ixd h PRO 11 Cb 1.14 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ixd h PRO 11 CO 0.10 0.23 0.25 -1.35 -0.21 0.00 0.00 178.00 177.02 1ixd h PRO 12 N 0.35 0.00 -2.48 1.05 0.11 -1.96 0.12 132.00 129.19 1ixd h PRO 12 Ca 0.15 0.00 -0.81 0.00 0.11 0.00 0.00 66.00 65.45 1ixd h PRO 12 Cb 0.07 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 30.90 1ixd h PRO 12 CO -0.11 0.00 0.95 0.41 -0.21 0.00 0.00 178.00 179.03 1ixd n GLY 13 N -1.27 5.81 3.42 -0.55 0.00 -0.71 -4.74 105.19 107.15 1ixd n GLY 13 Ca -0.00 -2.61 -0.17 0.00 0.00 0.00 0.00 46.02 43.24 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 0.42 -2.32 0.00 1.61 3.02 -1.14 -4.01 115.26 112.84 1ixd n ASN 14 Ca 0.40 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1ixd n ASN 14 Cb 0.29 -5.13 0.00 0.00 -0.61 0.00 0.00 39.78 34.33 1ixd n ASN 14 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ixd n SER 15 N -3.14 0.00 0.10 6.41 7.64 0.40 -3.08 113.62 121.96 1ixd n SER 15 Ca -0.28 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1ixd n SER 15 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1ixd n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ixd n HIS 16 N 0.00 -1.57 -2.70 1.43 8.25 -1.26 -2.44 115.22 116.94 1ixd n HIS 16 Ca 0.00 0.28 -0.06 0.00 -0.26 0.00 0.00 57.72 57.68 1ixd n HIS 16 Cb 0.00 0.40 0.10 0.00 1.12 0.00 0.00 29.99 31.61 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 2.11 -0.47 3.50 -1.41 0.00 -1.18 -4.84 105.19 102.91 1ixd n GLY 17 Ca 0.00 0.45 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.61 4.47 0.33 0.99 1.43 -1.22 -4.96 118.68 118.10 1ixd s LEU 18 Ca 0.22 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1ixd s LEU 18 Cb 0.29 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1ixd s LEU 18 CO -0.13 -0.98 0.40 -1.83 0.23 0.00 0.00 176.35 174.04 1ixd s GLU 19 N 3.21 1.82 0.33 1.70 -1.05 -1.26 -4.99 118.70 118.45 1ixd s GLU 19 Ca 0.24 -1.82 -0.29 0.00 -0.15 0.00 0.00 54.97 52.95 1ixd s GLU 19 Cb -0.15 0.40 -0.12 0.00 -0.44 0.00 0.00 34.13 33.83 1ixd s GLU 19 CO 0.18 -0.72 1.47 0.28 0.95 0.00 0.00 175.26 177.41 1ixd n VAL 20 N -0.56 1.61 0.00 1.83 0.31 -1.26 -2.35 118.33 117.90 1ixd n VAL 20 Ca 0.03 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1ixd n VAL 20 Cb 0.62 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 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 1.19 2.50 3.76 2.92 0.00 -1.07 -4.97 105.19 109.52 1ixd n GLY 21 Ca 0.05 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 7.18 0.49 1.61 0.01 -0.99 -4.71 113.70 117.29 1ixd s SER 22 Ca 0.00 2.15 -0.21 0.00 1.31 0.00 0.00 55.95 59.20 1ixd s SER 22 Cb 0.00 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 1ixd s SER 22 CO 0.00 -0.19 1.12 -0.76 0.41 0.00 0.00 173.24 173.82 1ixd s LEU 23 N -1.75 3.90 0.02 2.44 1.43 -1.26 -2.04 118.68 121.41 1ixd s LEU 23 Ca 0.48 2.18 -0.15 0.00 -1.03 0.00 0.00 54.13 55.61 1ixd s LEU 23 Cb -0.28 -4.41 0.02 0.00 0.03 0.00 0.00 46.19 41.56 1ixd s LEU 23 CO 0.36 -0.98 0.33 0.00 0.23 0.00 0.00 176.35 176.28 1ixd s ALA 24 N -1.70 -0.78 0.18 4.21 0.00 -1.02 -2.72 121.76 119.94 1ixd s ALA 24 Ca 0.67 0.17 0.11 0.00 0.00 0.00 0.00 51.96 52.92 1ixd s ALA 24 Cb -0.25 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1ixd s ALA 24 CO 0.29 -0.37 -0.24 -2.00 0.00 0.00 0.00 175.76 173.44 1ixd s GLU 25 N -2.13 1.50 -0.04 0.00 2.12 0.12 -3.87 118.70 116.39 1ixd s GLU 25 Ca -0.08 -1.50 0.05 0.00 0.36 0.00 0.00 54.97 53.80 1ixd s GLU 25 Cb -0.02 -1.84 -0.01 0.00 0.26 0.00 0.00 34.13 32.52 1ixd s GLU 25 CO -0.01 0.40 -0.19 0.08 -0.54 0.00 0.00 175.26 175.00 1ixd s VAL 26 N -1.60 1.60 -1.21 3.70 1.01 -1.26 -0.13 120.40 122.51 1ixd s VAL 26 Ca 0.20 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1ixd s VAL 26 Cb -0.08 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1ixd s VAL 26 CO 0.09 0.46 1.79 -0.54 0.00 0.00 0.00 175.10 176.90 1ixd s LYS 27 N -0.06 3.36 0.44 2.72 1.02 -1.26 -4.88 119.74 121.09 1ixd s LYS 27 Ca -0.03 -1.54 0.03 0.00 0.02 0.00 0.00 55.97 54.45 1ixd s LYS 27 Cb -0.12 -5.40 -0.02 0.00 -0.52 0.00 0.00 37.83 31.77 1ixd s LYS 27 CO 0.02 -2.91 0.07 -2.00 -0.92 0.00 0.00 175.35 169.61 1ixd s GLU 28 N 5.22 2.02 0.06 1.68 2.12 -1.26 -5.08 118.70 123.47 1ixd s GLU 28 Ca 0.59 -2.25 -0.36 0.00 0.36 0.00 0.00 54.97 53.32 1ixd s GLU 28 Cb 0.01 -1.02 -0.20 0.00 0.26 0.00 0.00 34.13 33.19 1ixd s GLU 28 CO 0.08 -0.40 1.59 -0.91 -0.54 0.00 0.00 175.26 175.07 1ixd h ASN 29 N 1.64 -1.01 -3.36 -1.70 2.35 -2.05 -3.40 115.58 108.05 1ixd h ASN 29 Ca -0.39 0.03 -0.56 0.00 -0.55 0.00 0.00 56.30 54.83 1ixd h ASN 29 Cb 1.29 0.26 -0.06 0.00 0.05 0.00 0.00 38.32 39.86 1ixd h ASN 29 CO 0.65 -0.72 1.04 -2.16 -1.65 0.00 0.00 177.43 174.59 1ixd s PRO 30 N -6.00 3.59 -1.03 0.81 0.04 -1.26 -4.94 135.00 126.21 1ixd s PRO 30 Ca -0.19 0.81 -0.24 0.00 0.04 0.00 0.00 61.00 61.42 1ixd s PRO 30 Cb 0.02 -4.00 -0.08 0.00 0.04 0.00 0.00 34.50 30.48 1ixd s PRO 30 CO 0.61 -1.55 1.97 -1.25 0.04 0.00 0.00 177.00 176.81 1ixd s PRO 31 N 4.87 2.43 0.46 0.56 0.04 -1.26 -4.92 135.00 137.17 1ixd s PRO 31 Ca 0.58 -0.64 0.07 0.00 0.04 0.00 0.00 61.00 61.05 1ixd s PRO 31 Cb -0.12 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.30 1ixd s PRO 31 CO 0.32 -3.78 0.42 -0.59 0.04 0.00 0.00 177.00 173.41 1ixd s PHE 32 N 11.01 2.33 -0.10 0.56 -0.12 -1.26 -5.13 117.98 125.27 1ixd s PHE 32 Ca 0.71 -0.60 -0.03 0.00 -0.05 0.00 0.00 56.93 56.96 1ixd s PHE 32 Cb -0.04 -2.12 0.04 0.00 -0.63 0.00 0.00 43.02 40.27 1ixd s PHE 32 CO 0.06 -0.30 0.07 0.71 -0.05 0.00 0.00 175.22 175.72 1ixd s TYR 33 N -2.56 0.11 0.16 3.49 2.02 -1.26 -4.76 117.35 114.55 1ixd s TYR 33 Ca 0.46 0.02 0.03 0.00 -0.37 0.00 0.00 57.07 57.21 1ixd s TYR 33 Cb -0.03 -0.57 -0.01 0.00 -0.40 0.00 0.00 41.96 40.95 1ixd s TYR 33 CO 0.27 -0.33 0.09 0.41 -1.57 0.00 0.00 175.55 174.43 1ixd n GLY 34 N 5.29 3.64 3.23 0.71 0.00 -1.25 -3.35 105.19 113.47 1ixd n GLY 34 Ca -0.05 -1.88 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 1ixd n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ixd s VAL 35 N -2.40 1.57 0.73 1.61 0.11 -0.92 -2.44 120.40 118.65 1ixd s VAL 35 Ca 0.13 -1.21 -0.16 0.00 -2.93 0.00 0.00 61.98 57.82 1ixd s VAL 35 Cb 0.01 -1.38 0.04 0.00 -1.53 0.00 0.00 36.38 33.51 1ixd s VAL 35 CO 0.09 0.13 1.25 -0.63 -3.33 0.00 0.00 175.10 172.61 1ixd s ILE 36 N -0.86 2.05 0.06 7.04 1.01 -0.87 -0.11 121.20 129.53 1ixd s ILE 36 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1ixd s ILE 36 Cb -0.09 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1ixd s ILE 36 CO 0.02 -0.01 0.00 0.54 0.00 0.00 0.00 174.94 175.49 1ixd n ARG 37 N -2.60 0.00 -5.18 2.79 5.12 0.29 -2.60 116.66 114.48 1ixd n ARG 37 Ca 0.15 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.75 1ixd n ARG 37 Cb 0.49 -0.03 -0.17 0.00 -1.16 0.00 0.00 32.46 31.60 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 -1.25 2.46 -0.28 -1.55 -0.00 -1.23 -4.67 118.94 112.42 1ixd s TRP 38 Ca 0.00 -0.96 0.03 0.00 -0.00 0.00 0.00 56.10 55.17 1ixd s TRP 38 Cb 0.00 -1.64 0.08 0.00 -0.00 0.00 0.00 33.47 31.90 1ixd s TRP 38 CO 0.00 -0.37 -0.03 0.42 -0.00 0.00 0.00 176.95 176.97 1ixd s ILE 39 N 0.27 1.98 0.00 5.86 1.01 -1.26 0.71 121.20 129.78 1ixd s ILE 39 Ca -0.16 -1.77 0.00 0.00 0.00 0.00 0.00 60.65 58.72 1ixd s ILE 39 Cb -0.17 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1ixd s ILE 39 CO 0.08 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.35 1ixd n GLY 40 N 4.45 1.70 2.88 6.18 0.00 -1.17 -4.92 105.19 114.30 1ixd n GLY 40 Ca -0.07 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.57 1.37 0.92 1.61 -0.21 -1.26 -1.33 119.66 119.19 1ixd s GLN 41 Ca 0.00 -0.48 -0.11 0.00 0.02 0.00 0.00 55.36 54.79 1ixd s GLN 41 Cb 0.00 -1.95 0.11 0.00 1.00 0.00 0.00 33.01 32.16 1ixd s GLN 41 CO 0.00 -0.43 0.92 -2.30 -2.12 0.00 0.00 175.29 171.36 1ixd n PRO 42 N 4.89 -0.35 -2.17 2.91 -0.02 -1.26 -4.84 135.00 134.17 1ixd n PRO 42 Ca -0.12 -0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.02 1ixd n PRO 42 Cb 0.48 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.79 0.00 0.52 0.04 -1.26 -3.34 135.00 129.49 1ixd s PRO 43 Ca 0.65 -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 0.60 -3.23 0.00 0.41 0.04 0.00 0.00 177.00 174.82 1ixd n GLY 44 N 6.60 1.49 3.05 0.56 0.00 -1.26 -5.10 105.19 110.53 1ixd n GLY 44 Ca 0.40 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 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 2.98 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.25 1ixd s LEU 45 Ca 0.00 -1.19 -0.28 0.00 0.06 0.00 0.00 54.13 52.72 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 1.55 0.21 -1.06 0.00 0.00 176.35 176.89 1ixd s ASN 46 N 1.21 6.07 -0.29 1.48 2.47 -1.26 -4.10 114.94 120.51 1ixd s ASN 46 Ca -0.05 0.75 -0.15 0.00 0.42 0.00 0.00 52.86 53.83 1ixd s ASN 46 Cb -0.18 -2.54 0.14 0.00 -1.45 0.00 0.00 41.25 37.22 1ixd s ASN 46 CO -0.07 -1.67 0.89 -1.83 -3.72 0.00 0.00 177.10 170.71 1ixd s GLU 47 N 5.47 0.41 -0.55 0.43 -1.05 -1.26 -5.10 118.70 117.05 1ixd s GLU 47 Ca 0.64 0.89 -0.27 0.00 -0.15 0.00 0.00 54.97 56.08 1ixd s GLU 47 Cb -0.15 0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 33.88 1ixd s GLU 47 CO 0.30 -0.12 1.98 0.08 0.95 0.00 0.00 175.26 178.45 1ixd s VAL 48 N 2.10 3.29 -0.28 1.83 1.01 -1.26 -4.14 120.40 122.95 1ixd s VAL 48 Ca -0.06 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 1ixd s VAL 48 Cb -0.06 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1ixd s VAL 48 CO -0.17 -0.65 0.07 -0.76 0.00 0.00 0.00 175.10 173.59 1ixd s LEU 49 N 9.53 3.71 -0.35 3.92 1.43 -0.44 0.81 118.68 137.29 1ixd s LEU 49 Ca 0.75 -0.60 -0.19 0.00 -1.03 0.00 0.00 54.13 53.06 1ixd s LEU 49 Cb -0.15 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 1ixd s LEU 49 CO 0.23 -0.15 0.59 0.00 0.23 0.00 0.00 176.35 177.25 1ixd s ALA 50 N 1.52 3.47 -0.58 4.21 0.00 0.70 -3.02 121.76 128.06 1ixd s ALA 50 Ca 0.03 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 50.82 1ixd s ALA 50 Cb -0.17 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 1ixd s ALA 50 CO 0.02 -1.28 1.68 0.20 0.00 0.00 0.00 175.76 176.39 1ixd s GLY 51 N 1.77 0.51 0.17 0.00 0.00 0.22 -3.27 107.32 106.72 1ixd s GLY 51 Ca 0.22 -0.64 -0.17 0.00 0.00 0.00 0.00 44.72 44.13 1ixd s GLY 51 CO 0.14 3.17 0.62 1.08 0.00 0.00 0.00 173.10 178.11 1ixd s LEU 52 N 7.73 4.36 -0.30 0.66 1.43 -1.05 0.11 118.68 131.61 1ixd s LEU 52 Ca 0.61 1.23 -0.04 0.00 -1.03 0.00 0.00 54.13 54.90 1ixd s LEU 52 Cb -0.13 -3.36 0.03 0.00 0.03 0.00 0.00 46.19 42.77 1ixd s LEU 52 CO 0.22 0.09 0.04 -0.70 0.23 0.00 0.00 176.35 176.24 1ixd s GLU 53 N -1.88 2.69 0.61 1.70 2.12 0.84 -1.10 118.70 123.70 1ixd s GLU 53 Ca 0.39 -1.11 -0.17 0.00 0.36 0.00 0.00 54.97 54.44 1ixd s GLU 53 Cb -0.16 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1ixd s GLU 53 CO 0.20 -0.57 1.14 -0.51 -0.54 0.00 0.00 175.26 174.98 1ixd s LEU 54 N 1.37 3.55 0.01 2.70 1.43 -0.97 -2.17 118.68 124.60 1ixd s LEU 54 Ca -0.02 2.15 0.07 0.00 -1.03 0.00 0.00 54.13 55.30 1ixd s LEU 54 Cb -0.19 -4.57 -0.24 0.00 0.03 0.00 0.00 46.19 41.23 1ixd s LEU 54 CO 0.00 -1.53 0.86 -0.33 0.23 0.00 0.00 176.35 175.58 1ixd h GLU 55 N 0.55 0.06 -5.26 1.70 4.39 -1.90 -3.45 114.58 110.67 1ixd h GLU 55 Ca -0.49 -0.11 -0.61 0.00 0.34 0.00 0.00 59.36 58.50 1ixd h GLU 55 Cb 1.26 0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 29.83 1ixd h GLU 55 CO 0.55 0.80 -0.41 -0.51 -1.16 0.00 0.00 179.01 178.28 1ixd s ASP 56 N -6.49 6.25 -0.71 1.42 1.01 -1.26 -5.02 116.67 111.88 1ixd s ASP 56 Ca -0.05 0.28 -0.26 0.00 0.71 0.00 0.00 52.55 53.24 1ixd s ASP 56 Cb 0.08 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.83 1ixd s ASP 56 CO 0.83 0.06 1.94 -1.61 0.21 0.00 0.00 175.17 176.60 1ixd s GLU 57 N 0.90 2.53 -0.18 8.23 2.02 -1.26 -4.82 118.70 126.12 1ixd s GLU 57 Ca 0.12 0.36 -0.06 0.00 0.02 0.00 0.00 54.97 55.40 1ixd s GLU 57 Cb -0.13 -4.64 -0.03 0.00 0.10 0.00 0.00 34.13 29.43 1ixd s GLU 57 CO 0.04 -3.04 0.03 0.00 0.02 0.00 0.00 175.26 172.31 1ixd s ALA 59 N 0.55 3.62 0.00 0.00 0.00 -1.26 -3.27 121.76 121.40 1ixd s ALA 59 Ca 0.01 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1ixd s ALA 59 Cb -0.13 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1ixd s ALA 59 CO 0.02 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 174.77 1ixd n GLY 60 N 4.28 1.36 3.93 0.00 0.00 -1.26 -5.13 105.19 108.36 1ixd n GLY 60 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.69 0.00 -1.40 0.00 -2.24 -1.08 -3.91 114.28 102.97 1ixd n THR 62 Ca 0.06 -1.27 -0.15 0.00 -2.27 0.00 0.00 64.05 60.42 1ixd n THR 62 Cb 0.59 -0.83 0.17 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.71 3.50 0.00 3.42 5.75 -1.26 -1.86 116.55 123.39 1ixd n ASP 63 Ca 0.12 -3.73 0.00 0.00 -0.01 0.00 0.00 54.79 51.17 1ixd n ASP 63 Cb 0.43 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 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 -1.10 1.22 2.74 6.12 0.00 -1.26 -3.96 105.19 108.95 1ixd n GLY 64 Ca 0.46 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.26 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 0.27 -0.45 2.61 -4.23 -1.26 -2.03 115.64 108.55 1ixd s THR 65 Ca 0.00 0.13 -0.15 0.00 -1.18 0.00 0.00 61.69 60.49 1ixd s THR 65 Cb 0.00 -0.49 0.06 0.00 1.34 0.00 0.00 72.50 73.41 1ixd s THR 65 CO 0.00 0.19 0.37 0.12 -0.54 0.00 0.00 174.62 174.77 1ixd s PHE 66 N 2.01 3.24 -1.31 3.99 5.36 -0.74 -4.41 117.98 126.13 1ixd s PHE 66 Ca 0.05 -0.80 -0.08 0.00 -0.96 0.00 0.00 56.93 55.13 1ixd s PHE 66 Cb -0.13 -2.99 0.01 0.00 -0.34 0.00 0.00 43.02 39.57 1ixd s PHE 66 CO -0.05 -0.74 1.14 0.54 -1.46 0.00 0.00 175.22 174.65 1ixd n ARG 67 N 5.22 -7.67 -1.92 10.12 1.74 -1.26 -2.14 116.66 120.75 1ixd n ARG 67 Ca -0.12 0.80 -0.04 0.00 -0.77 0.00 0.00 57.85 57.72 1ixd n ARG 67 Cb 0.45 -5.77 -0.00 0.00 -1.02 0.00 0.00 32.46 26.11 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 -1.93 0.28 2.67 -0.13 0.00 -1.26 -5.02 105.19 99.80 1ixd n GLY 68 Ca -0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 0.93 0.27 2.61 2.01 -0.91 -5.11 115.64 113.25 1ixd s THR 69 Ca 0.00 -1.92 -0.30 0.00 0.31 0.00 0.00 61.69 59.78 1ixd s THR 69 Cb 0.00 -1.68 -0.11 0.00 0.01 0.00 0.00 72.50 70.72 1ixd s THR 69 CO 0.00 -0.83 1.59 -0.60 -0.69 0.00 0.00 174.62 174.09 1ixd s ARG 70 N 1.00 4.14 -0.03 4.92 3.52 -1.26 -1.80 118.95 129.45 1ixd s ARG 70 Ca 0.15 2.54 0.00 0.00 -0.13 0.00 0.00 55.73 58.29 1ixd s ARG 70 Cb -0.21 -3.04 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 1ixd s ARG 70 CO -0.10 -0.62 -0.03 0.66 -0.81 0.00 0.00 175.30 174.41 1ixd n TYR 71 N 2.43 0.00 -4.20 5.12 4.01 -0.86 -4.95 117.16 118.72 1ixd n TYR 71 Ca 0.09 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.67 1ixd n TYR 71 Cb 0.38 -0.13 -0.06 0.00 -0.31 0.00 0.00 39.34 39.22 1ixd n TYR 71 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 1ixd n PHE 72 N -2.56 -0.80 -3.99 -0.72 -1.74 -1.25 -4.98 117.46 101.43 1ixd n PHE 72 Ca -0.06 -2.35 -0.34 0.00 -0.56 0.00 0.00 57.45 54.15 1ixd n PHE 72 Cb 0.56 0.29 -0.14 0.00 1.52 0.00 0.00 39.48 41.71 1ixd n PHE 72 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1ixd s THR 73 N -3.09 2.65 0.29 1.97 -1.32 -1.26 -4.70 115.64 110.18 1ixd s THR 73 Ca 0.33 -1.27 -0.00 0.00 -1.21 0.00 0.00 61.69 59.53 1ixd s THR 73 Cb 0.01 -2.43 -0.02 0.00 -1.51 0.00 0.00 72.50 68.55 1ixd s THR 73 CO 0.23 0.09 0.33 0.00 -2.21 0.00 0.00 174.62 173.06 1ixd s ALA 75 N -3.58 2.19 0.45 0.00 0.00 -1.26 -4.76 121.76 114.81 1ixd s ALA 75 Ca 0.35 0.78 -0.22 0.00 0.00 0.00 0.00 51.96 52.87 1ixd s ALA 75 Cb 0.02 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 1ixd s ALA 75 CO 0.19 -1.75 1.09 -0.51 0.00 0.00 0.00 175.76 174.78 1ixd s LEU 76 N -5.13 3.99 -1.50 0.00 1.02 -1.26 -3.33 118.68 112.47 1ixd s LEU 76 Ca 0.72 2.10 -0.03 0.00 0.02 0.00 0.00 54.13 56.94 1ixd s LEU 76 Cb -0.27 -4.34 0.00 0.00 0.02 0.00 0.00 46.19 41.61 1ixd s LEU 76 CO 0.45 -0.76 0.35 0.29 0.02 0.00 0.00 176.35 176.70 1ixd n LYS 77 N -0.54 -3.40 -2.53 1.70 4.76 -1.09 -4.85 118.16 112.21 1ixd n LYS 77 Ca 0.07 0.87 -0.01 0.00 -2.87 0.00 0.00 58.31 56.37 1ixd n LYS 77 Cb 0.50 -5.51 0.06 0.00 -1.84 0.00 0.00 35.03 28.25 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 -3.40 1.32 -3.54 1.97 5.02 -1.04 -2.23 118.16 116.26 1ixd n LYS 78 Ca -0.15 -2.46 -0.29 0.00 -2.02 0.00 0.00 58.31 53.39 1ixd n LYS 78 Cb 0.63 -0.66 -0.15 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 -1.92 0.60 -0.31 7.82 0.00 -0.78 -2.29 121.76 124.89 1ixd s ALA 79 Ca 0.20 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1ixd s ALA 79 Cb 0.35 -1.38 0.06 0.00 0.00 0.00 0.00 23.12 22.14 1ixd s ALA 79 CO -0.08 -1.63 0.01 -1.17 0.00 0.00 0.00 175.76 172.89 1ixd s LEU 80 N 2.10 4.02 0.34 0.00 2.96 -0.25 -2.64 118.68 125.20 1ixd s LEU 80 Ca 0.09 -1.38 -0.26 0.00 -0.22 0.00 0.00 54.13 52.36 1ixd s LEU 80 Cb -0.16 -1.71 -0.09 0.00 0.50 0.00 0.00 46.19 44.73 1ixd s LEU 80 CO -0.36 -0.28 1.00 -0.36 -1.32 0.00 0.00 176.35 175.02 1ixd s PHE 81 N 1.22 3.55 0.22 5.38 0.40 -1.26 -2.53 117.98 124.96 1ixd s PHE 81 Ca -0.04 1.73 -0.19 0.00 -0.60 0.00 0.00 56.93 57.84 1ixd s PHE 81 Cb -0.20 -3.04 0.03 0.00 0.51 0.00 0.00 43.02 40.32 1ixd s PHE 81 CO -0.02 -0.16 0.59 0.14 0.70 0.00 0.00 175.22 176.48 1ixd s VAL 82 N -1.55 0.01 -0.02 -0.44 -7.23 -1.20 -4.96 120.40 105.01 1ixd s VAL 82 Ca 0.51 -0.79 -0.30 0.00 -1.81 0.00 0.00 61.98 59.60 1ixd s VAL 82 Cb -0.22 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1ixd s VAL 82 CO 0.28 -0.05 1.44 -0.54 -0.31 0.00 0.00 175.10 175.92 1ixd s LYS 83 N -3.88 4.26 0.36 4.82 1.02 -1.26 -0.21 119.74 124.84 1ixd s LYS 83 Ca 0.10 1.99 0.04 0.00 0.02 0.00 0.00 55.97 58.12 1ixd s LYS 83 Cb -0.03 -3.65 0.69 0.00 -0.52 0.00 0.00 37.83 34.33 1ixd s LYS 83 CO -0.00 -0.64 1.99 1.25 -0.92 0.00 0.00 175.35 177.03 1ixd h LEU 84 N 8.76 0.69 -1.94 3.17 5.85 0.08 -0.50 115.31 131.41 1ixd h LEU 84 Ca -0.37 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1ixd h LEU 84 Cb 1.17 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1ixd h LEU 84 CO 0.92 0.48 -0.11 0.07 -0.34 0.00 0.00 178.44 179.45 1ixd h LYS 85 N 0.80 0.00 -0.97 1.25 2.10 -1.91 -1.97 116.57 115.87 1ixd h LYS 85 Ca 0.26 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.39 1ixd h LYS 85 Cb 0.06 0.00 -0.30 0.00 -0.90 0.00 0.00 32.23 31.09 1ixd h LYS 85 CO -0.07 0.11 0.65 0.43 -2.00 0.00 0.00 179.45 178.58 1ixd n SER 86 N -3.77 4.17 -4.60 7.07 7.64 -0.20 -4.95 113.62 118.98 1ixd n SER 86 Ca -0.02 -3.64 -0.30 0.00 1.01 0.00 0.00 58.87 55.93 1ixd n SER 86 Cb 0.22 -0.85 -0.09 0.00 -1.01 0.00 0.00 64.21 62.48 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 -2.28 1.66 0.07 0.00 1.81 0.81 -4.92 118.95 116.10 1ixd s ARG 88 Ca 0.22 -0.86 -0.34 0.00 -1.72 0.00 0.00 55.73 53.03 1ixd s ARG 88 Cb -0.11 -1.67 -0.13 0.00 -0.45 0.00 0.00 34.95 32.58 1ixd s ARG 88 CO 0.15 0.45 1.65 -2.30 -0.68 0.00 0.00 175.30 174.57 1ixd n PRO 89 N 2.27 2.07 -3.38 3.54 -0.02 -1.26 0.12 135.00 138.34 1ixd n PRO 89 Ca -0.16 0.75 -0.45 0.00 -2.02 0.00 0.00 63.50 61.62 1ixd n PRO 89 Cb 0.53 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 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 1.85 6.13 -0.41 2.55 2.15 -1.10 -4.70 116.67 123.14 1ixd s ASP 90 Ca 0.84 -1.98 0.04 0.00 0.43 0.00 0.00 52.55 51.88 1ixd s ASP 90 Cb -0.71 -2.15 0.62 0.00 -0.30 0.00 0.00 42.92 40.37 1ixd s ASP 90 CO 0.43 -0.77 1.84 -0.24 -0.17 0.00 0.00 175.17 176.26 1ixd n SER 91 N 4.94 3.73 0.18 -0.34 2.88 -1.26 -4.46 113.62 119.29 1ixd n SER 91 Ca -0.08 -3.46 0.03 0.00 -1.33 0.00 0.00 58.87 54.03 1ixd n SER 91 Cb 0.41 -0.81 0.38 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.99 0.05 -0.04 -1.46 2.47 -1.97 -3.02 114.38 111.40 1ixd h ARG 92 Ca 0.57 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 59.22 1ixd h ARG 92 Cb 2.70 -0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 30.94 1ixd h ARG 92 CO 1.00 0.35 -0.60 1.19 0.56 0.00 0.00 179.97 182.47 1ixd n PHE 93 N -4.16 0.13 -3.57 3.04 3.01 -1.26 -5.02 117.46 109.62 1ixd n PHE 93 Ca -0.02 -1.39 -0.38 0.00 1.01 0.00 0.00 57.45 56.67 1ixd n PHE 93 Cb 0.36 -0.24 -0.10 0.00 -0.01 0.00 0.00 39.48 39.49 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 -2.80 3.57 -0.42 4.37 0.00 -1.14 -5.04 121.76 120.30 1ixd s ALA 94 Ca 0.38 -0.91 -0.28 0.00 0.00 0.00 0.00 51.96 51.15 1ixd s ALA 94 Cb 0.37 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1ixd s ALA 94 CO -0.08 -0.39 1.65 -1.54 0.00 0.00 0.00 175.76 175.40 1ixd s SER 95 N 1.38 5.95 0.00 0.00 1.04 -1.26 -4.51 113.70 116.30 1ixd s SER 95 Ca 0.10 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1ixd s SER 95 Cb -0.15 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1ixd s SER 95 CO 0.08 -1.73 0.00 -0.11 0.98 0.00 0.00 173.24 172.46 1ixd n LEU 96 N 10.15 0.00 0.12 2.42 7.94 -1.26 -4.98 117.00 131.39 1ixd n LEU 96 Ca 0.19 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.03 1ixd n LEU 96 Cb 0.48 0.19 -0.03 0.00 0.53 0.00 0.00 43.42 44.59 1ixd n LEU 96 CO 0.70 -0.32 0.17 1.56 -1.11 0.00 0.00 177.39 178.38 1ixd h GLN 97 N 0.00 -0.38 0.00 1.96 7.50 -2.00 -3.47 115.11 118.72 1ixd h GLN 97 Ca 0.00 0.03 -0.05 0.00 0.50 0.00 0.00 58.65 59.12 1ixd h GLN 97 Cb 0.00 0.09 0.02 0.00 0.05 0.00 0.00 27.48 27.64 1ixd h GLN 97 CO 0.00 -0.26 0.03 -0.35 -1.50 0.00 0.00 178.83 176.75 1ixd n PRO 98 N -4.84 -0.93 -3.67 1.46 -0.04 -1.26 -5.04 135.00 120.67 1ixd n PRO 98 Ca -0.05 -0.24 -0.28 0.00 -0.04 0.00 0.00 63.50 62.89 1ixd n PRO 98 Cb 0.16 -0.20 -0.12 0.00 -0.04 0.00 0.00 33.50 33.30 1ixd n PRO 98 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ixd s SER 99 N -1.80 3.32 0.63 3.54 1.04 -1.26 -5.06 113.70 114.12 1ixd s SER 99 Ca 0.09 -3.19 -0.14 0.00 0.48 0.00 0.00 55.95 53.19 1ixd s SER 99 Cb -0.01 -1.04 -0.02 0.00 0.10 0.00 0.00 66.02 65.05 1ixd s SER 99 CO 0.07 -0.17 1.06 -0.83 0.98 0.00 0.00 173.24 174.35 1ixd s GLY 100 N -0.37 1.97 1.21 7.32 0.00 -1.26 -5.05 107.32 111.15 1ixd s GLY 100 Ca 0.25 0.30 -0.19 0.00 0.00 0.00 0.00 44.72 45.08 1ixd s GLY 100 CO -0.12 0.62 1.11 2.56 0.00 0.00 0.00 173.10 177.27 1ixd s PRO 101 N -4.39 -1.27 0.00 2.90 0.04 -1.26 -5.04 135.00 125.98 1ixd s PRO 101 Ca 0.62 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1ixd s PRO 101 Cb -0.16 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1ixd s PRO 101 CO 0.43 -3.74 0.00 0.43 0.04 0.00 0.00 177.00 174.17 1ixd n SER 102 N -4.77 0.44 0.22 6.66 7.64 -1.26 -5.06 113.62 117.48 1ixd n SER 102 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1ixd n SER 102 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1ixd n SER 102 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ixd n SER 103 N -2.72 -3.30 0.00 6.43 7.64 -1.26 -5.38 113.62 115.04 1ixd n SER 103 Ca 0.00 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1ixd n SER 103 Cb 0.33 3.11 0.00 0.00 -1.01 0.00 0.00 64.21 66.64 1ixd n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64