#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 -7.82 -4.14 1.61 2.88 -1.26 -4.90 113.62 99.98 1ixd n SER 2 Ca 0.00 1.52 -0.29 0.00 -1.33 0.00 0.00 58.87 58.77 1ixd n SER 2 Cb 0.00 -4.92 0.23 0.00 -0.75 0.00 0.00 64.21 58.77 1ixd n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ixd s SER 3 N -6.89 1.14 -0.36 -3.46 0.01 -1.26 -4.94 113.70 97.94 1ixd s SER 3 Ca 0.00 0.96 0.06 0.00 1.31 0.00 0.00 55.95 58.27 1ixd s SER 3 Cb 0.00 -1.44 0.63 0.00 0.21 0.00 0.00 66.02 65.42 1ixd s SER 3 CO 0.00 -4.03 1.77 0.61 0.41 0.00 0.00 173.24 172.01 1ixd n GLY 4 N -0.40 3.91 2.30 3.44 0.00 -1.26 -3.95 105.19 109.23 1ixd n GLY 4 Ca 0.09 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.63 1.69 -1.78 1.61 2.88 -1.26 -4.87 113.62 111.27 1ixd n SER 5 Ca 0.47 -3.01 -0.19 0.00 -1.33 0.00 0.00 58.87 54.81 1ixd n SER 5 Cb 1.45 -0.65 -0.06 0.00 -0.75 0.00 0.00 64.21 64.19 1ixd n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ixd n SER 6 N 1.20 -5.25 -2.07 -3.46 2.88 -1.26 -1.76 113.62 103.90 1ixd n SER 6 Ca 0.25 0.36 -0.15 0.00 -1.33 0.00 0.00 58.87 58.00 1ixd n SER 6 Cb 0.48 -4.59 -0.03 0.00 -0.75 0.00 0.00 64.21 59.32 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 -0.52 0.19 3.15 0.46 0.00 -1.25 -4.93 105.19 102.29 1ixd n GLY 7 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.12 1.48 -0.02 0.99 1.43 -0.72 -4.82 118.68 111.90 1ixd s LEU 8 Ca 0.00 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1ixd s LEU 8 Cb 0.00 0.84 0.03 0.00 0.03 0.00 0.00 46.19 47.08 1ixd s LEU 8 CO 0.00 -0.51 0.88 0.00 0.23 0.00 0.00 176.35 176.95 1ixd n ALA 9 N 0.86 2.87 -2.69 4.21 0.00 -1.26 -4.74 120.51 119.75 1ixd n ALA 9 Ca -0.20 -0.60 -0.06 0.00 0.00 0.00 0.00 53.44 52.59 1ixd n ALA 9 Cb 0.58 -0.35 0.08 0.00 0.00 0.00 0.00 19.45 19.76 1ixd n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ixd n MET 10 N -0.10 0.41 -0.12 0.00 0.00 -1.26 -4.86 117.12 111.20 1ixd n MET 10 Ca -0.23 -1.12 -0.06 0.00 0.00 0.00 0.00 57.70 56.29 1ixd n MET 10 Cb 0.64 -0.61 0.02 0.00 0.00 0.00 0.00 33.22 33.27 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 3.07 0.31 0.14 3.17 0.11 -1.97 -3.05 132.00 133.79 1ixd h PRO 11 Ca -0.22 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.60 1ixd h PRO 11 Cb 1.15 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1ixd h PRO 11 CO 0.02 0.21 -1.26 -1.00 -0.21 0.00 0.00 178.00 175.76 1ixd h PRO 12 N 0.32 0.30 -0.00 1.05 0.13 -2.00 -3.48 132.00 128.31 1ixd h PRO 12 Ca 0.17 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1ixd h PRO 12 Cb 0.13 0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1ixd h PRO 12 CO -0.16 1.24 0.00 0.41 -0.23 0.00 0.00 178.00 179.26 1ixd n GLY 13 N 1.54 0.84 3.82 1.56 0.00 -1.15 -5.13 105.19 106.67 1ixd n GLY 13 Ca -0.09 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1ixd n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ixd s ASN 14 N -1.68 4.73 -0.89 1.61 0.01 -1.26 -5.03 114.94 112.43 1ixd s ASN 14 Ca 0.00 -0.95 -0.25 0.00 -0.71 0.00 0.00 52.86 50.96 1ixd s ASN 14 Cb 0.00 -0.41 -0.03 0.00 0.41 0.00 0.00 41.25 41.21 1ixd s ASN 14 CO 0.00 -0.66 1.88 -0.44 -1.51 0.00 0.00 177.10 176.37 1ixd s SER 15 N -4.05 5.30 0.00 -1.22 0.01 -1.26 -4.54 113.70 107.94 1ixd s SER 15 Ca 0.43 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1ixd s SER 15 Cb -0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1ixd s SER 15 CO 0.25 -2.58 0.00 1.41 0.41 0.00 0.00 173.24 172.72 1ixd n HIS 16 N 13.33 0.00 -2.67 2.43 8.25 -1.26 -3.22 115.22 132.09 1ixd n HIS 16 Ca 0.38 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.80 1ixd n HIS 16 Cb 0.48 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.70 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 0.00 -1.41 3.27 -1.41 0.00 -1.26 -4.92 105.19 99.46 1ixd n GLY 17 Ca 0.00 0.83 -0.41 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.11 5.39 0.28 0.99 1.43 -1.20 -4.97 118.68 119.48 1ixd s LEU 18 Ca 0.21 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 51.73 1ixd s LEU 18 Cb 0.29 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 1ixd s LEU 18 CO -0.18 -0.60 0.28 -1.83 0.23 0.00 0.00 176.35 174.25 1ixd s GLU 19 N 1.45 1.57 0.21 1.70 -1.05 -1.26 -4.85 118.70 116.46 1ixd s GLU 19 Ca 0.04 -1.75 -0.32 0.00 -0.15 0.00 0.00 54.97 52.78 1ixd s GLU 19 Cb -0.24 0.34 -0.12 0.00 -0.44 0.00 0.00 34.13 33.67 1ixd s GLU 19 CO 0.02 -0.58 1.72 0.28 0.95 0.00 0.00 175.26 177.65 1ixd n VAL 20 N -0.46 0.02 0.00 1.83 0.31 -1.26 -2.10 118.33 116.67 1ixd n VAL 20 Ca 0.03 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1ixd n VAL 20 Cb 0.63 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 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 3.93 2.44 3.91 2.92 0.00 -0.98 -5.00 105.19 112.41 1ixd n GLY 21 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 0.10 6.36 0.27 1.61 0.01 -0.89 -4.85 113.70 116.30 1ixd s SER 22 Ca 0.00 0.77 -0.10 0.00 1.31 0.00 0.00 55.95 57.93 1ixd s SER 22 Cb 0.00 -2.17 -0.07 0.00 0.21 0.00 0.00 66.02 63.99 1ixd s SER 22 CO 0.00 -0.37 0.60 -0.76 0.41 0.00 0.00 173.24 173.12 1ixd s LEU 23 N -4.16 4.11 0.19 2.44 1.43 -1.26 -0.82 118.68 120.61 1ixd s LEU 23 Ca 0.45 0.98 -0.11 0.00 -1.03 0.00 0.00 54.13 54.42 1ixd s LEU 23 Cb -0.10 -3.77 -0.00 0.00 0.03 0.00 0.00 46.19 42.35 1ixd s LEU 23 CO 0.36 -0.14 0.36 0.00 0.23 0.00 0.00 176.35 177.16 1ixd s ALA 24 N -1.92 -0.16 0.05 4.21 0.00 -0.96 -2.19 121.76 120.80 1ixd s ALA 24 Ca 0.49 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.69 1ixd s ALA 24 Cb -0.11 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1ixd s ALA 24 CO 0.22 -0.71 -0.13 -2.00 0.00 0.00 0.00 175.76 173.13 1ixd s GLU 25 N -3.97 0.84 0.09 0.00 2.12 0.13 -3.51 118.70 114.41 1ixd s GLU 25 Ca 0.18 -0.84 0.06 0.00 0.36 0.00 0.00 54.97 54.72 1ixd s GLU 25 Cb 0.02 -0.83 -0.04 0.00 0.26 0.00 0.00 34.13 33.54 1ixd s GLU 25 CO 0.02 0.19 -0.06 0.08 -0.54 0.00 0.00 175.26 174.95 1ixd s VAL 26 N -1.08 3.64 -0.88 3.70 1.01 -1.26 -0.63 120.40 124.89 1ixd s VAL 26 Ca -0.01 -1.14 -0.19 0.00 0.00 0.00 0.00 61.98 60.64 1ixd s VAL 26 Cb -0.09 -2.71 0.13 0.00 0.00 0.00 0.00 36.38 33.71 1ixd s VAL 26 CO 0.02 0.12 1.06 -0.75 0.00 0.00 0.00 175.10 175.55 1ixd s LYS 27 N -2.22 3.53 0.13 2.72 2.20 -1.26 -4.85 119.74 119.99 1ixd s LYS 27 Ca 0.23 -1.72 0.02 0.00 -0.36 0.00 0.00 55.97 54.15 1ixd s LYS 27 Cb -0.11 -4.79 -0.01 0.00 -1.51 0.00 0.00 37.83 31.41 1ixd s LYS 27 CO 0.15 -1.73 0.09 -1.91 -0.36 0.00 0.00 175.35 171.60 1ixd n GLU 28 N 6.43 0.31 0.18 4.03 0.00 -1.26 -5.09 120.64 125.24 1ixd n GLU 28 Ca 0.19 -1.22 -0.10 0.00 0.00 0.00 0.00 57.16 56.04 1ixd n GLU 28 Cb 0.48 0.92 -0.05 0.00 0.00 0.00 0.00 31.44 32.79 1ixd n GLU 28 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1ixd h ASN 29 N 0.70 -0.45 -3.55 4.31 2.35 -2.04 -3.42 115.58 113.49 1ixd h ASN 29 Ca -0.09 -0.05 -0.56 0.00 -0.55 0.00 0.00 56.30 55.04 1ixd h ASN 29 Cb 0.44 0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.86 1ixd h ASN 29 CO 0.14 -0.01 0.94 -2.16 -1.65 0.00 0.00 177.43 174.69 1ixd s PRO 30 N -3.57 3.76 -0.87 0.81 0.04 -1.26 -4.94 135.00 128.96 1ixd s PRO 30 Ca -0.10 0.74 -0.26 0.00 0.04 0.00 0.00 61.00 61.42 1ixd s PRO 30 Cb 0.01 -3.90 -0.16 0.00 0.04 0.00 0.00 34.50 30.49 1ixd s PRO 30 CO 0.31 -1.33 2.32 -2.14 0.04 0.00 0.00 177.00 176.20 1ixd s PRO 31 N 4.41 1.51 -0.06 0.56 0.02 -1.26 -4.91 135.00 135.27 1ixd s PRO 31 Ca 0.50 0.22 0.00 0.00 0.02 0.00 0.00 61.00 61.75 1ixd s PRO 31 Cb -0.09 -4.85 -0.03 0.00 0.02 0.00 0.00 34.50 29.55 1ixd s PRO 31 CO 0.29 -4.71 -0.04 -0.59 -0.33 0.00 0.00 177.00 171.61 1ixd s PHE 32 N 15.29 3.00 0.09 6.54 -0.12 -1.26 -5.12 117.98 136.40 1ixd s PHE 32 Ca 0.89 0.07 0.06 0.00 -0.05 0.00 0.00 56.93 57.90 1ixd s PHE 32 Cb -0.11 -1.72 -0.04 0.00 -0.63 0.00 0.00 43.02 40.53 1ixd s PHE 32 CO 0.10 0.38 -0.07 0.71 -0.05 0.00 0.00 175.22 176.30 1ixd s TYR 33 N -0.87 2.83 0.27 3.49 2.02 -1.26 -4.46 117.35 119.36 1ixd s TYR 33 Ca 0.14 -0.11 -0.12 0.00 -0.37 0.00 0.00 57.07 56.61 1ixd s TYR 33 Cb -0.11 -1.48 0.05 0.00 -0.40 0.00 0.00 41.96 40.02 1ixd s TYR 33 CO 0.03 0.44 0.64 0.41 -1.57 0.00 0.00 175.55 175.49 1ixd n GLY 34 N 0.73 1.14 3.19 0.71 0.00 -1.23 -2.90 105.19 106.83 1ixd n GLY 34 Ca -0.13 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.29 1.36 0.35 1.61 0.11 -1.19 -2.27 120.40 118.08 1ixd s VAL 35 Ca 0.13 -1.11 -0.28 0.00 -2.93 0.00 0.00 61.98 57.79 1ixd s VAL 35 Cb -0.03 -1.21 -0.10 0.00 -1.53 0.00 0.00 36.38 33.50 1ixd s VAL 35 CO 0.08 0.08 1.36 -0.63 -3.33 0.00 0.00 175.10 172.66 1ixd s ILE 36 N -0.85 2.51 0.13 7.04 1.01 0.00 -1.62 121.20 129.43 1ixd s ILE 36 Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1ixd s ILE 36 Cb -0.08 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1ixd s ILE 36 CO 0.02 0.12 0.00 0.54 0.00 0.00 0.00 174.94 175.62 1ixd n ARG 37 N 0.64 0.00 -4.71 2.79 5.12 0.30 -2.32 116.66 118.49 1ixd n ARG 37 Ca 0.01 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 1ixd n ARG 37 Cb 0.41 -0.31 -0.16 0.00 -1.16 0.00 0.00 32.46 31.24 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 -1.85 1.59 -0.28 -1.55 -0.00 -1.25 -4.69 118.94 110.90 1ixd s TRP 38 Ca 0.00 -0.53 0.02 0.00 -0.00 0.00 0.00 56.10 55.59 1ixd s TRP 38 Cb 0.00 -1.11 0.08 0.00 -0.00 0.00 0.00 33.47 32.44 1ixd s TRP 38 CO 0.00 -0.23 -0.02 0.42 -0.00 0.00 0.00 176.95 177.13 1ixd s ILE 39 N 0.36 1.76 0.02 5.86 1.01 -1.26 0.75 121.20 129.70 1ixd s ILE 39 Ca -0.10 -1.62 -0.02 0.00 0.00 0.00 0.00 60.65 58.92 1ixd s ILE 39 Cb -0.14 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.23 1ixd s ILE 39 CO 0.03 -0.30 0.07 0.61 0.00 0.00 0.00 174.94 175.36 1ixd n GLY 40 N 4.54 1.50 2.95 6.18 0.00 -1.17 -4.92 105.19 114.26 1ixd n GLY 40 Ca -0.07 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.01 1.76 0.92 1.61 -0.21 -1.26 -1.35 119.66 119.12 1ixd s GLN 41 Ca 0.02 -0.69 -0.11 0.00 0.02 0.00 0.00 55.36 54.59 1ixd s GLN 41 Cb -0.00 -2.23 0.11 0.00 1.00 0.00 0.00 33.01 31.89 1ixd s GLN 41 CO 0.01 -0.43 0.92 -2.30 -2.12 0.00 0.00 175.29 171.36 1ixd n PRO 42 N 4.77 -0.35 -2.15 2.91 -0.02 -1.26 -4.84 135.00 134.07 1ixd n PRO 42 Ca -0.13 -0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.01 1ixd n PRO 42 Cb 0.47 -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 2.76 0.00 0.52 0.04 -1.26 -3.35 135.00 129.45 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 0.60 -3.29 0.00 0.41 0.04 0.00 0.00 177.00 174.77 1ixd n GLY 44 N 6.57 1.31 3.06 0.56 0.00 -1.26 -5.10 105.19 110.33 1ixd n GLY 44 Ca 0.41 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 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 2.86 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.13 1ixd s LEU 45 Ca 0.00 -1.11 -0.28 0.00 0.06 0.00 0.00 54.13 52.79 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 -0.14 1.53 0.21 -1.06 0.00 0.00 176.35 176.89 1ixd s ASN 46 N 1.22 6.10 -0.30 1.48 3.84 -1.26 -4.08 114.94 121.94 1ixd s ASN 46 Ca -0.04 0.76 -0.14 0.00 0.21 0.00 0.00 52.86 53.65 1ixd s ASN 46 Cb -0.18 -2.54 0.15 0.00 -0.55 0.00 0.00 41.25 38.14 1ixd s ASN 46 CO -0.07 -1.64 0.88 -1.83 -2.79 0.00 0.00 177.10 171.65 1ixd s GLU 47 N 5.40 0.39 -0.55 0.43 -1.05 -1.26 -5.10 118.70 116.97 1ixd s GLU 47 Ca 0.64 0.96 -0.26 0.00 -0.15 0.00 0.00 54.97 56.15 1ixd s GLU 47 Cb -0.15 0.54 -0.05 0.00 -0.44 0.00 0.00 34.13 34.03 1ixd s GLU 47 CO 0.30 -0.13 2.19 0.08 0.95 0.00 0.00 175.26 178.65 1ixd s VAL 48 N 2.49 3.15 -0.32 1.83 1.01 -1.26 -4.20 120.40 123.11 1ixd s VAL 48 Ca -0.04 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 1ixd s VAL 48 Cb -0.08 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.92 1ixd s VAL 48 CO -0.18 -0.38 0.13 -0.76 0.00 0.00 0.00 175.10 173.92 1ixd s LEU 49 N 11.02 4.14 -0.35 3.92 1.43 -0.46 0.82 118.68 139.19 1ixd s LEU 49 Ca 0.85 -0.72 -0.19 0.00 -1.03 0.00 0.00 54.13 53.04 1ixd s LEU 49 Cb -0.15 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 1ixd s LEU 49 CO 0.23 -0.24 0.58 0.00 0.23 0.00 0.00 176.35 177.16 1ixd s ALA 50 N 1.55 3.47 -0.19 4.21 0.00 0.72 -3.04 121.76 128.47 1ixd s ALA 50 Ca 0.03 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 1ixd s ALA 50 Cb -0.18 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1ixd s ALA 50 CO 0.05 -1.28 1.77 0.20 0.00 0.00 0.00 175.76 176.50 1ixd s GLY 51 N 1.77 1.11 -0.17 0.00 0.00 0.23 -3.09 107.32 107.17 1ixd s GLY 51 Ca 0.22 0.61 -0.07 0.00 0.00 0.00 0.00 44.72 45.48 1ixd s GLY 51 CO 0.14 3.21 0.06 1.08 0.00 0.00 0.00 173.10 177.59 1ixd s LEU 52 N 5.70 3.85 -0.46 0.66 1.43 -0.70 0.11 118.68 129.27 1ixd s LEU 52 Ca 0.79 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.85 1ixd s LEU 52 Cb -0.28 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.04 1ixd s LEU 52 CO 0.32 0.21 0.38 -0.70 0.23 0.00 0.00 176.35 176.79 1ixd s GLU 53 N 0.17 2.98 0.15 1.70 2.12 -0.64 0.28 118.70 125.45 1ixd s GLU 53 Ca 0.05 -1.30 -0.31 0.00 0.36 0.00 0.00 54.97 53.76 1ixd s GLU 53 Cb -0.12 -4.11 -0.09 0.00 0.26 0.00 0.00 34.13 30.07 1ixd s GLU 53 CO 0.00 -0.98 1.51 -0.51 -0.54 0.00 0.00 175.26 174.74 1ixd s LEU 54 N 1.65 4.37 0.34 2.70 1.43 -1.07 -3.14 118.68 124.97 1ixd s LEU 54 Ca 0.04 2.51 0.10 0.00 -1.03 0.00 0.00 54.13 55.75 1ixd s LEU 54 Cb -0.23 -3.59 0.63 0.00 0.03 0.00 0.00 46.19 43.02 1ixd s LEU 54 CO 0.07 -0.76 1.79 -0.33 0.23 0.00 0.00 176.35 177.35 1ixd h GLU 55 N 6.81 0.12 -5.39 1.70 5.08 -1.87 -3.42 114.58 117.61 1ixd h GLU 55 Ca -0.42 -0.05 -0.61 0.00 -1.00 0.00 0.00 59.36 57.28 1ixd h GLU 55 Cb 1.21 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.33 1ixd h GLU 55 CO 0.90 0.46 -0.11 -0.51 -1.00 0.00 0.00 179.01 178.75 1ixd s ASP 56 N -6.90 6.44 -0.86 1.42 1.11 -1.26 -5.00 116.67 111.61 1ixd s ASP 56 Ca -0.04 0.52 -0.25 0.00 0.18 0.00 0.00 52.55 52.97 1ixd s ASP 56 Cb 0.14 -2.26 -0.04 0.00 1.07 0.00 0.00 42.92 41.83 1ixd s ASP 56 CO 0.74 -0.18 1.92 -1.61 1.18 0.00 0.00 175.17 177.22 1ixd s GLU 57 N 1.79 2.60 -0.09 8.23 2.02 -1.26 -4.83 118.70 127.15 1ixd s GLU 57 Ca 0.20 -0.19 -0.05 0.00 0.02 0.00 0.00 54.97 54.96 1ixd s GLU 57 Cb -0.15 -4.97 -0.04 0.00 0.10 0.00 0.00 34.13 29.07 1ixd s GLU 57 CO 0.09 -3.25 0.12 0.00 0.02 0.00 0.00 175.26 172.24 1ixd s ALA 59 N -1.06 3.62 0.00 0.00 0.00 -1.26 -3.72 121.76 119.34 1ixd s ALA 59 Ca 0.17 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1ixd s ALA 59 Cb -0.12 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1ixd s ALA 59 CO 0.07 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1ixd n GLY 60 N 2.68 1.89 3.03 0.00 0.00 -1.26 -5.12 105.19 106.41 1ixd n GLY 60 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 2.40 0.00 -1.46 0.00 -2.24 -1.18 -3.50 114.28 108.29 1ixd n THR 62 Ca -0.16 -0.63 -0.10 0.00 -2.27 0.00 0.00 64.05 60.88 1ixd n THR 62 Cb 0.56 -1.68 0.18 0.00 -2.10 0.00 0.00 70.33 67.29 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 -3.55 3.08 0.00 3.42 5.75 -1.26 -1.95 116.55 122.04 1ixd n ASP 63 Ca 0.11 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.12 1ixd n ASP 63 Cb 0.37 -0.67 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 -1.09 0.58 2.97 6.12 0.00 -1.26 -3.39 105.19 109.11 1ixd n GLY 64 Ca 0.40 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.90 -0.03 -0.19 2.61 -4.23 -1.26 -3.50 115.64 108.14 1ixd s THR 65 Ca 0.00 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1ixd s THR 65 Cb 0.00 -0.24 0.04 0.00 1.34 0.00 0.00 72.50 73.64 1ixd s THR 65 CO 0.00 0.05 -0.08 0.12 -0.54 0.00 0.00 174.62 174.16 1ixd s PHE 66 N 0.82 2.21 -1.50 3.99 5.36 -1.15 -4.74 117.98 122.96 1ixd s PHE 66 Ca -0.06 -1.46 -0.06 0.00 -0.96 0.00 0.00 56.93 54.40 1ixd s PHE 66 Cb -0.08 -1.54 0.01 0.00 -0.34 0.00 0.00 43.02 41.07 1ixd s PHE 66 CO -0.04 -0.71 0.73 0.54 -1.46 0.00 0.00 175.22 174.28 1ixd n ARG 67 N 4.74 -5.54 -2.07 10.12 1.74 -1.26 -1.64 116.66 122.75 1ixd n ARG 67 Ca -0.14 0.89 -0.10 0.00 -0.77 0.00 0.00 57.85 57.72 1ixd n ARG 67 Cb 0.47 -5.76 -0.01 0.00 -1.02 0.00 0.00 32.46 26.13 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 -1.63 0.12 2.84 -0.13 0.00 -1.26 -5.00 105.19 100.13 1ixd n GLY 68 Ca -0.09 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.50 1.63 0.04 2.61 2.01 -0.65 -5.09 115.64 113.68 1ixd s THR 69 Ca 0.00 -2.18 -0.30 0.00 0.31 0.00 0.00 61.69 59.52 1ixd s THR 69 Cb 0.00 -2.18 -0.09 0.00 0.01 0.00 0.00 72.50 70.24 1ixd s THR 69 CO 0.00 -0.72 1.93 -0.60 -0.69 0.00 0.00 174.62 174.54 1ixd s ARG 70 N 0.88 4.14 -0.17 4.92 3.52 -1.26 -2.95 118.95 128.03 1ixd s ARG 70 Ca 0.13 2.59 -0.01 0.00 -0.13 0.00 0.00 55.73 58.30 1ixd s ARG 70 Cb -0.21 -4.08 -0.10 0.00 -1.56 0.00 0.00 34.95 29.01 1ixd s ARG 70 CO -0.11 -0.93 -0.16 0.66 -0.81 0.00 0.00 175.30 173.94 1ixd n TYR 71 N 7.27 0.00 -3.99 5.12 4.01 -1.23 -5.02 117.16 123.33 1ixd n TYR 71 Ca 0.19 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.84 1ixd n TYR 71 Cb 0.41 -0.63 -0.07 0.00 -0.31 0.00 0.00 39.34 38.74 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 -2.33 0.47 -0.27 -0.72 -0.71 -1.26 -4.98 117.98 108.19 1ixd s PHE 72 Ca -0.23 -0.82 -0.08 0.00 -1.04 0.00 0.00 56.93 54.76 1ixd s PHE 72 Cb 0.07 -0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.76 1ixd s PHE 72 CO 0.36 -0.73 0.11 -0.08 -1.34 0.00 0.00 175.22 173.54 1ixd s THR 73 N -3.99 4.49 0.25 -4.49 -1.32 -1.26 -4.58 115.64 104.74 1ixd s THR 73 Ca 0.19 -0.24 0.04 0.00 -1.21 0.00 0.00 61.69 60.48 1ixd s THR 73 Cb 0.03 -3.17 -0.02 0.00 -1.51 0.00 0.00 72.50 67.84 1ixd s THR 73 CO 0.02 0.24 0.16 0.00 -2.21 0.00 0.00 174.62 172.82 1ixd s ALA 75 N -2.89 1.25 0.18 0.00 0.00 -1.26 -4.82 121.76 114.22 1ixd s ALA 75 Ca 0.23 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 1ixd s ALA 75 Cb 0.01 -3.14 -0.08 0.00 0.00 0.00 0.00 23.12 19.92 1ixd s ALA 75 CO 0.16 -2.60 0.93 -0.51 0.00 0.00 0.00 175.76 173.74 1ixd s LEU 76 N -6.33 4.58 -1.26 0.00 1.43 -1.26 -3.66 118.68 112.18 1ixd s LEU 76 Ca 0.64 1.85 -0.07 0.00 -1.03 0.00 0.00 54.13 55.52 1ixd s LEU 76 Cb -0.18 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.48 1ixd s LEU 76 CO 0.57 0.07 0.99 0.29 0.23 0.00 0.00 176.35 178.50 1ixd n LYS 77 N 2.06 -6.77 -2.67 1.70 4.76 -1.18 -4.90 118.16 111.16 1ixd n LYS 77 Ca -0.01 0.76 -0.01 0.00 -2.87 0.00 0.00 58.31 56.19 1ixd n LYS 77 Cb 0.48 -5.55 0.07 0.00 -1.84 0.00 0.00 35.03 28.19 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 -4.44 1.48 -3.70 1.97 5.02 -1.07 -2.94 118.16 114.48 1ixd n LYS 78 Ca -0.01 -2.59 -0.27 0.00 -2.02 0.00 0.00 58.31 53.42 1ixd n LYS 78 Cb 0.56 -0.78 -0.16 0.00 -0.02 0.00 0.00 35.03 34.63 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 -2.19 0.90 -0.27 7.82 0.00 -0.82 -2.59 121.76 124.61 1ixd s ALA 79 Ca 0.20 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1ixd s ALA 79 Cb 0.36 -1.18 0.08 0.00 0.00 0.00 0.00 23.12 22.38 1ixd s ALA 79 CO -0.08 -1.21 0.01 -1.17 0.00 0.00 0.00 175.76 173.32 1ixd s LEU 80 N 1.91 2.67 0.27 0.00 2.96 0.14 -3.11 118.68 123.52 1ixd s LEU 80 Ca 0.00 -1.41 -0.29 0.00 -0.22 0.00 0.00 54.13 52.21 1ixd s LEU 80 Cb -0.17 -1.10 -0.09 0.00 0.50 0.00 0.00 46.19 45.33 1ixd s LEU 80 CO -0.10 -0.31 0.94 -0.36 -1.32 0.00 0.00 176.35 175.20 1ixd s PHE 81 N 1.43 3.89 0.20 5.38 0.08 -1.26 -1.72 117.98 125.98 1ixd s PHE 81 Ca 0.02 1.88 -0.12 0.00 0.12 0.00 0.00 56.93 58.82 1ixd s PHE 81 Cb -0.18 -2.96 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 1ixd s PHE 81 CO -0.12 0.38 0.41 0.14 -0.10 0.00 0.00 175.22 175.93 1ixd s VAL 82 N -1.32 0.03 -0.05 -0.44 -7.23 -1.18 -4.94 120.40 105.28 1ixd s VAL 82 Ca 0.44 -1.27 -0.30 0.00 -1.81 0.00 0.00 61.98 59.04 1ixd s VAL 82 Cb -0.24 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 1ixd s VAL 82 CO 0.29 -0.14 1.49 -0.54 -0.31 0.00 0.00 175.10 175.89 1ixd s LYS 83 N -3.97 4.23 0.43 4.82 1.02 -1.26 -0.20 119.74 124.81 1ixd s LYS 83 Ca 0.18 2.02 0.10 0.00 0.02 0.00 0.00 55.97 58.29 1ixd s LYS 83 Cb 0.01 -3.76 0.96 0.00 -0.52 0.00 0.00 37.83 34.51 1ixd s LYS 83 CO 0.03 -0.71 2.05 1.25 -0.92 0.00 0.00 175.35 177.05 1ixd h LEU 84 N 9.32 0.39 -1.86 3.17 5.85 0.09 -0.40 115.31 131.86 1ixd h LEU 84 Ca -0.37 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1ixd h LEU 84 Cb 1.17 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1ixd h LEU 84 CO 0.94 0.27 -0.14 0.07 -0.34 0.00 0.00 178.44 179.24 1ixd h LYS 85 N 0.45 0.00 -0.82 1.25 -0.00 -1.91 -2.03 116.57 113.51 1ixd h LYS 85 Ca 0.17 0.00 -0.45 0.00 -0.00 0.00 0.00 60.65 60.36 1ixd h LYS 85 Cb 0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 32.23 32.08 1ixd h LYS 85 CO -0.04 0.14 0.44 0.43 -0.00 0.00 0.00 179.45 180.42 1ixd n SER 86 N -3.91 3.99 -4.33 7.07 7.64 -0.17 -4.93 113.62 118.97 1ixd n SER 86 Ca -0.02 -3.69 -0.33 0.00 1.01 0.00 0.00 58.87 55.84 1ixd n SER 86 Cb 0.23 -0.79 -0.15 0.00 -1.01 0.00 0.00 64.21 62.49 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 0.55 3.50 0.20 0.00 0.52 0.20 -4.90 118.95 119.02 1ixd s ARG 88 Ca -0.08 -0.22 -0.33 0.00 -0.52 0.00 0.00 55.73 54.58 1ixd s ARG 88 Cb -0.16 -3.14 -0.14 0.00 0.52 0.00 0.00 34.95 32.03 1ixd s ARG 88 CO 0.04 0.65 1.45 -2.30 0.02 0.00 0.00 175.30 175.16 1ixd n PRO 89 N 2.37 1.99 -3.42 3.54 -0.02 -1.26 0.20 135.00 138.40 1ixd n PRO 89 Ca -0.19 0.71 -0.44 0.00 -2.02 0.00 0.00 63.50 61.57 1ixd n PRO 89 Cb 0.54 -2.40 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 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 0.51 6.06 -0.34 2.55 2.15 -0.93 -4.69 116.67 121.97 1ixd s ASP 90 Ca 0.73 -1.45 0.07 0.00 0.43 0.00 0.00 52.55 52.33 1ixd s ASP 90 Cb -0.68 -2.15 0.65 0.00 -0.30 0.00 0.00 42.92 40.44 1ixd s ASP 90 CO 0.45 -0.66 1.76 -0.24 -0.17 0.00 0.00 175.17 176.31 1ixd n SER 91 N 5.15 4.24 0.22 -0.34 2.88 -1.26 -4.43 113.62 120.09 1ixd n SER 91 Ca -0.12 -3.24 0.07 0.00 -1.33 0.00 0.00 58.87 54.25 1ixd n SER 91 Cb 0.43 -0.76 0.51 0.00 -0.75 0.00 0.00 64.21 63.64 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 1.85 0.00 -0.21 -1.46 2.47 -1.97 -2.71 114.38 112.35 1ixd h ARG 92 Ca 0.38 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 59.01 1ixd h ARG 92 Cb 2.40 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 30.67 1ixd h ARG 92 CO 0.81 0.24 -0.15 1.19 0.56 0.00 0.00 179.97 182.62 1ixd n PHE 93 N -3.95 0.67 -2.98 3.04 3.01 -1.26 -5.01 117.46 110.97 1ixd n PHE 93 Ca -0.02 -1.38 -0.40 0.00 1.01 0.00 0.00 57.45 56.66 1ixd n PHE 93 Cb 0.32 -0.36 -0.04 0.00 -0.01 0.00 0.00 39.48 39.38 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 -3.13 3.32 -0.49 4.37 0.00 -1.02 -5.03 121.76 119.78 1ixd s ALA 94 Ca 0.41 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 1ixd s ALA 94 Cb 0.37 -3.04 0.12 0.00 0.00 0.00 0.00 23.12 20.56 1ixd s ALA 94 CO 0.00 -0.17 0.40 -1.12 0.00 0.00 0.00 175.76 174.88 1ixd s SER 95 N 0.86 5.93 0.11 0.00 0.01 -1.26 -4.72 113.70 114.64 1ixd s SER 95 Ca 0.40 -1.78 0.00 0.00 1.31 0.00 0.00 55.95 55.88 1ixd s SER 95 Cb -0.18 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1ixd s SER 95 CO 0.19 -0.74 0.00 -0.11 0.41 0.00 0.00 173.24 172.99 1ixd n LEU 96 N 5.07 -1.00 -3.65 2.44 7.94 -1.26 -5.16 117.00 121.39 1ixd n LEU 96 Ca -0.11 0.22 -0.15 0.00 -1.11 0.00 0.00 56.01 54.86 1ixd n LEU 96 Cb 0.41 1.28 -0.08 0.00 0.53 0.00 0.00 43.42 45.56 1ixd n LEU 96 CO 0.47 -0.27 0.24 -1.10 -1.11 0.00 0.00 177.39 175.62 1ixd s GLN 97 N -1.24 0.81 0.28 1.96 -1.52 -1.26 -5.14 119.66 113.55 1ixd s GLN 97 Ca 0.00 0.24 -0.29 0.00 -1.95 0.00 0.00 55.36 53.36 1ixd s GLN 97 Cb 0.00 0.38 -0.13 0.00 -0.22 0.00 0.00 33.01 33.04 1ixd s GLN 97 CO 0.00 -0.21 1.27 -2.30 -0.25 0.00 0.00 175.29 173.80 1ixd n PRO 98 N 1.54 1.88 -1.48 2.91 -0.02 -1.26 -4.69 135.00 133.89 1ixd n PRO 98 Ca -0.18 0.67 0.19 0.00 -2.02 0.00 0.00 63.50 62.15 1ixd n PRO 98 Cb 0.56 -2.23 -0.08 0.00 -0.02 0.00 0.00 33.50 31.73 1ixd n PRO 98 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ixd n SER 99 N 1.45 -8.52 0.00 2.55 2.88 -1.26 -4.81 113.62 105.91 1ixd n SER 99 Ca 0.09 1.24 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 1ixd n SER 99 Cb 0.33 -4.92 0.00 0.00 -0.75 0.00 0.00 64.21 58.87 1ixd n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ixd n GLY 100 N -4.38 -1.29 0.43 0.46 0.00 -1.26 -4.64 105.19 94.51 1ixd n GLY 100 Ca -0.06 -0.51 0.23 0.00 0.00 0.00 0.00 46.02 45.67 1ixd n GLY 100 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ixd h PRO 101 N 0.00 0.00 -4.45 1.61 0.11 -1.97 -3.47 132.00 123.83 1ixd h PRO 101 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1ixd h PRO 101 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1ixd h PRO 101 CO 0.00 0.00 -0.92 0.45 -0.21 0.00 0.00 178.00 177.32 1ixd n SER 102 N -3.67 -9.01 0.01 -2.05 2.88 -1.26 -4.95 113.62 95.57 1ixd n SER 102 Ca 0.12 1.63 -0.18 0.00 -1.33 0.00 0.00 58.87 59.11 1ixd n SER 102 Cb 0.86 -4.95 -0.14 0.00 -0.75 0.00 0.00 64.21 59.22 1ixd n SER 102 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ixd h SER 103 N 4.05 0.31 -0.01 -3.46 0.87 -1.99 -3.54 113.55 109.77 1ixd h SER 103 Ca 0.00 -0.96 0.00 0.00 -1.23 0.00 0.00 61.79 59.60 1ixd h SER 103 Cb 0.00 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1ixd h SER 103 CO 0.00 1.25 0.00 0.61 -0.53 0.00 0.00 176.83 178.16