#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 3.28 -0.18 1.61 0.15 -1.26 -5.10 113.70 112.21 1ixd s SER 2 Ca 0.00 -2.98 -0.17 0.00 0.70 0.00 0.00 55.95 53.51 1ixd s SER 2 Cb 0.00 -0.97 -0.04 0.00 -1.71 0.00 0.00 66.02 63.30 1ixd s SER 2 CO 0.00 -0.20 0.42 -0.55 1.20 0.00 0.00 173.24 174.11 1ixd s SER 3 N -0.07 6.52 0.00 5.45 0.15 -1.26 -4.55 113.70 119.94 1ixd s SER 3 Ca 0.23 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1ixd s SER 3 Cb -0.13 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1ixd s SER 3 CO -0.09 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1ixd n GLY 4 N 3.69 1.60 2.19 9.45 0.00 -1.26 -4.97 105.19 115.88 1ixd n GLY 4 Ca -0.08 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 4.36 -4.71 1.61 2.88 -1.26 -4.94 113.62 111.56 1ixd n SER 5 Ca 0.00 -3.56 -0.37 0.00 -1.33 0.00 0.00 58.87 53.61 1ixd n SER 5 Cb 0.00 -0.85 -0.07 0.00 -0.75 0.00 0.00 64.21 62.54 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 -1.26 6.45 0.00 -3.46 0.01 -1.26 -5.08 113.70 109.09 1ixd s SER 6 Ca 0.55 0.52 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1ixd s SER 6 Cb 0.46 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 64.49 1ixd s SER 6 CO 0.09 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1ixd n GLY 7 N 3.56 -1.85 2.39 3.44 0.00 -1.26 -4.56 105.19 106.91 1ixd n GLY 7 Ca -0.11 -1.36 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.89 -3.86 0.99 4.77 -1.26 -4.96 117.00 110.79 1ixd n LEU 8 Ca 0.00 -0.08 -0.34 0.00 -0.03 0.00 0.00 56.01 55.56 1ixd n LEU 8 Cb 0.00 -2.20 -0.06 0.00 -2.33 0.00 0.00 43.42 38.83 1ixd n LEU 8 CO 0.00 -0.05 0.39 0.00 -1.33 0.00 0.00 177.39 176.41 1ixd n ALA 9 N -2.14 4.13 -3.21 -1.18 0.00 -1.26 -4.91 120.51 111.94 1ixd n ALA 9 Ca -0.14 -4.69 -0.20 0.00 0.00 0.00 0.00 53.44 48.40 1ixd n ALA 9 Cb 0.61 -1.53 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 1ixd n ALA 9 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ixd n MET 10 N 1.63 0.29 -0.14 0.00 2.81 -1.26 -4.78 117.12 115.67 1ixd n MET 10 Ca 0.25 -2.85 -0.05 0.00 -1.81 0.00 0.00 57.70 53.23 1ixd n MET 10 Cb 0.37 -1.61 0.03 0.00 -0.71 0.00 0.00 33.22 31.31 1ixd n MET 10 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1ixd h PRO 11 N 5.42 0.42 0.00 0.03 0.11 -1.91 -2.89 132.00 133.18 1ixd h PRO 11 Ca 0.21 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.11 1ixd h PRO 11 Cb 0.97 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 1ixd h PRO 11 CO 0.27 0.28 -0.90 -1.00 -0.21 0.00 0.00 178.00 176.44 1ixd h PRO 12 N 0.43 0.00 0.00 1.05 0.13 -1.95 -3.48 132.00 128.18 1ixd h PRO 12 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1ixd h PRO 12 Cb 0.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.24 1ixd h PRO 12 CO -0.14 0.75 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 1ixd n GLY 13 N 1.32 1.92 2.82 1.56 0.00 -1.09 -5.13 105.19 106.59 1ixd n GLY 13 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 2.97 -0.21 1.61 3.02 -1.26 -5.04 115.26 116.35 1ixd n ASN 14 Ca 0.00 -2.67 -0.06 0.00 -0.03 0.00 0.00 54.58 51.82 1ixd n ASN 14 Cb 0.00 0.23 0.04 0.00 -0.61 0.00 0.00 39.78 39.44 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 0.87 0.70 0.00 6.41 4.64 -1.97 -3.44 113.55 120.76 1ixd h SER 15 Ca -0.32 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1ixd h SER 15 Cb 0.98 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1ixd h SER 15 CO 0.52 0.52 0.00 1.41 -0.87 0.00 0.00 176.83 178.41 1ixd n HIS 16 N -4.66 0.00 0.00 4.77 8.25 -1.26 -4.93 115.22 117.39 1ixd n HIS 16 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1ixd n HIS 16 Cb 0.02 0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 2.52 -2.01 3.30 -1.41 0.00 -1.26 -4.73 105.19 101.60 1ixd n GLY 17 Ca 0.00 0.96 -0.44 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 5.75 0.31 0.99 1.43 -1.26 -5.00 118.68 120.90 1ixd s LEU 18 Ca 0.00 -1.63 0.04 0.00 -1.03 0.00 0.00 54.13 51.50 1ixd s LEU 18 Cb 0.00 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1ixd s LEU 18 CO 0.00 -0.71 0.17 -1.83 0.23 0.00 0.00 176.35 174.21 1ixd s GLU 19 N 1.53 1.62 0.35 1.70 -1.05 -1.26 -5.05 118.70 116.54 1ixd s GLU 19 Ca 0.04 -1.93 -0.29 0.00 -0.15 0.00 0.00 54.97 52.64 1ixd s GLU 19 Cb -0.26 -0.05 -0.11 0.00 -0.44 0.00 0.00 34.13 33.27 1ixd s GLU 19 CO 0.03 -0.48 1.54 0.28 0.95 0.00 0.00 175.26 177.58 1ixd n VAL 20 N -0.59 1.61 0.00 1.83 0.31 -1.26 -2.22 118.33 118.01 1ixd n VAL 20 Ca 0.02 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1ixd n VAL 20 Cb 0.64 -1.99 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 1.12 2.97 3.89 2.92 0.00 -0.74 -5.00 105.19 110.36 1ixd n GLY 21 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 0.59 6.53 0.33 1.61 0.01 -0.94 -4.82 113.70 117.01 1ixd s SER 22 Ca 0.00 0.85 -0.15 0.00 1.31 0.00 0.00 55.95 57.96 1ixd s SER 22 Cb 0.00 -2.20 -0.09 0.00 0.21 0.00 0.00 66.02 63.94 1ixd s SER 22 CO 0.00 -0.16 0.75 -0.76 0.41 0.00 0.00 173.24 173.47 1ixd s LEU 23 N -3.25 4.05 0.06 2.44 1.43 -1.26 -1.10 118.68 121.04 1ixd s LEU 23 Ca 0.46 1.30 -0.20 0.00 -1.03 0.00 0.00 54.13 54.66 1ixd s LEU 23 Cb -0.11 -4.10 0.04 0.00 0.03 0.00 0.00 46.19 42.05 1ixd s LEU 23 CO 0.26 -0.22 0.46 0.00 0.23 0.00 0.00 176.35 177.08 1ixd s ALA 24 N -2.01 -1.14 0.15 4.21 0.00 -1.07 -2.30 121.76 119.61 1ixd s ALA 24 Ca 0.55 0.37 0.11 0.00 0.00 0.00 0.00 51.96 52.99 1ixd s ALA 24 Cb -0.10 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1ixd s ALA 24 CO 0.18 -0.51 -0.26 -2.00 0.00 0.00 0.00 175.76 173.17 1ixd s GLU 25 N -2.70 1.44 0.26 0.00 2.12 0.20 -3.82 118.70 116.20 1ixd s GLU 25 Ca -0.04 -1.41 0.09 0.00 0.36 0.00 0.00 54.97 53.97 1ixd s GLU 25 Cb -0.00 -1.87 -0.04 0.00 0.26 0.00 0.00 34.13 32.47 1ixd s GLU 25 CO -0.04 0.43 0.00 0.08 -0.54 0.00 0.00 175.26 175.19 1ixd s VAL 26 N -1.28 3.50 -0.53 3.70 1.01 -1.26 0.92 120.40 126.46 1ixd s VAL 26 Ca 0.16 -1.85 -0.03 0.00 0.00 0.00 0.00 61.98 60.27 1ixd s VAL 26 Cb -0.09 -2.86 0.21 0.00 0.00 0.00 0.00 36.38 33.64 1ixd s VAL 26 CO 0.07 -0.35 2.35 1.17 0.00 0.00 0.00 175.10 178.34 1ixd n LYS 27 N -0.83 2.37 -2.41 2.72 3.00 -1.23 -4.91 118.16 116.87 1ixd n LYS 27 Ca -0.07 -2.53 -0.26 0.00 -0.00 0.00 0.00 58.31 55.46 1ixd n LYS 27 Cb 0.59 -2.07 0.04 0.00 0.00 0.00 0.00 35.03 33.59 1ixd n LYS 27 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1ixd s GLU 28 N -2.51 2.68 0.05 1.64 2.12 -1.26 -5.02 118.70 116.40 1ixd s GLU 28 Ca 0.52 -0.19 -0.24 0.00 0.36 0.00 0.00 54.97 55.41 1ixd s GLU 28 Cb 0.38 -2.29 -0.17 0.00 0.26 0.00 0.00 34.13 32.31 1ixd s GLU 28 CO -0.18 -0.82 1.55 -0.91 -0.54 0.00 0.00 175.26 174.36 1ixd h ASN 29 N -0.23 -0.02 -3.61 -1.70 2.35 -2.05 -3.40 115.58 106.92 1ixd h ASN 29 Ca -0.45 -0.18 -0.58 0.00 -0.55 0.00 0.00 56.30 54.55 1ixd h ASN 29 Cb 1.28 0.01 -0.08 0.00 0.05 0.00 0.00 38.32 39.57 1ixd h ASN 29 CO 0.59 0.17 0.78 -2.16 -1.65 0.00 0.00 177.43 175.17 1ixd s PRO 30 N -5.45 3.75 -0.08 0.81 0.04 -1.26 -4.99 135.00 127.83 1ixd s PRO 30 Ca -0.14 0.55 -0.29 0.00 0.04 0.00 0.00 61.00 61.16 1ixd s PRO 30 Cb 0.04 -3.87 -0.07 0.00 0.04 0.00 0.00 34.50 30.64 1ixd s PRO 30 CO 0.66 -1.21 2.07 -2.14 0.04 0.00 0.00 177.00 176.42 1ixd s PRO 31 N 4.02 3.71 0.05 0.56 0.02 -1.26 -4.97 135.00 137.13 1ixd s PRO 31 Ca 0.44 2.35 -0.03 0.00 0.02 0.00 0.00 61.00 63.77 1ixd s PRO 31 Cb -0.09 -4.25 -0.03 0.00 0.02 0.00 0.00 34.50 30.15 1ixd s PRO 31 CO 0.26 -1.45 0.04 -0.59 -0.33 0.00 0.00 177.00 174.93 1ixd s PHE 32 N 6.09 0.36 -0.10 6.54 -0.12 -1.26 -5.16 117.98 124.34 1ixd s PHE 32 Ca 0.93 -0.81 0.00 0.00 -0.05 0.00 0.00 56.93 57.00 1ixd s PHE 32 Cb -0.38 -0.26 0.02 0.00 -0.63 0.00 0.00 43.02 41.77 1ixd s PHE 32 CO 0.39 -0.39 -0.09 0.71 -0.05 0.00 0.00 175.22 175.79 1ixd s TYR 33 N -3.40 1.47 0.07 3.49 2.02 -1.26 -4.62 117.35 115.13 1ixd s TYR 33 Ca 0.02 -0.68 -0.06 0.00 -0.37 0.00 0.00 57.07 55.98 1ixd s TYR 33 Cb 0.04 -1.18 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 1ixd s TYR 33 CO -0.08 -0.45 0.11 0.20 -1.57 0.00 0.00 175.55 173.77 1ixd s GLY 34 N 1.41 0.22 0.01 0.71 0.00 -1.25 -2.89 107.32 105.52 1ixd s GLY 34 Ca -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 1ixd s GLY 34 CO -0.05 -0.97 0.21 0.54 0.00 0.00 0.00 173.10 172.83 1ixd s VAL 35 N -3.83 5.40 0.29 1.40 0.11 -0.68 -2.60 120.40 120.49 1ixd s VAL 35 Ca 0.05 -0.12 -0.29 0.00 -2.93 0.00 0.00 61.98 58.69 1ixd s VAL 35 Cb 0.06 -3.56 -0.10 0.00 -1.53 0.00 0.00 36.38 31.25 1ixd s VAL 35 CO -0.10 0.30 1.42 -0.63 -3.33 0.00 0.00 175.10 172.76 1ixd s ILE 36 N -1.35 2.57 0.07 7.04 1.01 -0.26 0.46 121.20 130.74 1ixd s ILE 36 Ca 0.29 0.51 -0.00 0.00 0.00 0.00 0.00 60.65 61.44 1ixd s ILE 36 Cb -0.13 -3.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.01 1ixd s ILE 36 CO 0.19 0.10 -0.01 0.54 0.00 0.00 0.00 174.94 175.76 1ixd n ARG 37 N 1.73 0.01 -4.70 2.79 5.12 0.29 -1.79 116.66 120.12 1ixd n ARG 37 Ca 0.04 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.72 1ixd n ARG 37 Cb 0.40 -0.42 -0.16 0.00 -1.16 0.00 0.00 32.46 31.12 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 -1.81 1.53 -0.27 -1.55 -0.00 -1.24 -4.74 118.94 110.86 1ixd s TRP 38 Ca -0.01 -0.47 0.01 0.00 -0.00 0.00 0.00 56.10 55.63 1ixd s TRP 38 Cb 0.00 -1.06 0.08 0.00 -0.00 0.00 0.00 33.47 32.49 1ixd s TRP 38 CO 0.01 -0.19 0.00 0.42 -0.00 0.00 0.00 176.95 177.19 1ixd s ILE 39 N 0.24 1.50 0.00 5.86 1.01 -1.26 0.70 121.20 129.25 1ixd s ILE 39 Ca -0.07 -1.46 0.00 0.00 0.00 0.00 0.00 60.65 59.13 1ixd s ILE 39 Cb -0.12 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1ixd s ILE 39 CO 0.02 -0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.25 1ixd n GLY 40 N 4.64 1.71 2.94 6.18 0.00 -1.16 -4.91 105.19 114.58 1ixd n GLY 40 Ca -0.07 -0.94 -0.29 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 -1.69 1.69 0.92 1.61 -0.21 -1.26 -1.18 119.66 119.55 1ixd s GLN 41 Ca 0.00 -0.69 -0.11 0.00 0.02 0.00 0.00 55.36 54.58 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 0.00 -0.45 0.93 -2.30 -2.12 0.00 0.00 175.29 171.35 1ixd n PRO 42 N 4.78 -0.37 -2.16 2.91 -0.02 -1.26 -4.84 135.00 134.05 1ixd n PRO 42 Ca -0.13 -0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.00 1ixd n PRO 42 Cb 0.47 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 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 -4.29 2.77 0.00 0.52 0.04 -1.26 -3.34 135.00 129.44 1ixd s PRO 43 Ca 0.64 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.05 1ixd s PRO 43 Cb -0.23 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.15 1ixd s PRO 43 CO 0.60 -3.24 0.00 0.41 0.04 0.00 0.00 177.00 174.81 1ixd n GLY 44 N 6.63 1.46 3.05 0.56 0.00 -1.26 -5.10 105.19 110.54 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 3.02 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.29 1ixd s LEU 45 Ca 0.00 -1.21 -0.28 0.00 0.06 0.00 0.00 54.13 52.70 1ixd s LEU 45 Cb 0.00 -1.46 0.00 0.00 -0.56 0.00 0.00 46.19 44.17 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 1.20 6.07 -0.30 1.48 3.84 -1.26 -4.07 114.94 121.89 1ixd s ASN 46 Ca -0.06 0.77 -0.14 0.00 0.21 0.00 0.00 52.86 53.64 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 0.88 -1.83 -2.79 0.00 0.00 177.10 171.64 1ixd s GLU 47 N 5.46 0.39 -0.53 0.43 -1.05 -1.26 -5.09 118.70 117.05 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 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 1ixd s GLU 47 CO 0.30 -0.13 2.21 0.08 0.95 0.00 0.00 175.26 178.68 1ixd s VAL 48 N 2.48 3.13 -0.31 1.83 1.01 -1.26 -4.19 120.40 123.09 1ixd s VAL 48 Ca -0.04 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 1ixd s VAL 48 Cb -0.08 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1ixd s VAL 48 CO -0.18 -0.32 0.12 -0.76 0.00 0.00 0.00 175.10 173.96 1ixd s LEU 49 N 11.04 4.08 -0.35 3.92 1.43 -0.33 0.71 118.68 139.19 1ixd s LEU 49 Ca 0.87 -0.74 -0.19 0.00 -1.03 0.00 0.00 54.13 53.05 1ixd s LEU 49 Cb -0.16 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 1ixd s LEU 49 CO 0.24 -0.23 0.56 0.00 0.23 0.00 0.00 176.35 177.15 1ixd s ALA 50 N 1.53 3.47 -0.56 4.21 0.00 0.71 -2.98 121.76 128.14 1ixd s ALA 50 Ca 0.03 -0.94 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 1ixd s ALA 50 Cb -0.18 -3.07 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 1ixd s ALA 50 CO 0.04 -1.25 1.60 0.20 0.00 0.00 0.00 175.76 176.35 1ixd s GLY 51 N 1.76 0.66 -0.08 0.00 0.00 0.22 -3.16 107.32 106.71 1ixd s GLY 51 Ca 0.21 -0.58 -0.21 0.00 0.00 0.00 0.00 44.72 44.14 1ixd s GLY 51 CO 0.14 3.06 0.59 1.08 0.00 0.00 0.00 173.10 177.96 1ixd s LEU 52 N 7.12 4.31 -0.42 0.66 1.43 -0.15 0.10 118.68 131.73 1ixd s LEU 52 Ca 0.60 1.02 -0.17 0.00 -1.03 0.00 0.00 54.13 54.55 1ixd s LEU 52 Cb -0.13 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 43.22 1ixd s LEU 52 CO 0.24 -0.04 0.41 -0.70 0.23 0.00 0.00 176.35 176.49 1ixd s GLU 53 N 0.61 3.07 0.34 1.70 2.12 0.17 0.23 118.70 126.94 1ixd s GLU 53 Ca 0.32 -0.82 -0.28 0.00 0.36 0.00 0.00 54.97 54.55 1ixd s GLU 53 Cb -0.17 -3.97 -0.10 0.00 0.26 0.00 0.00 34.13 30.15 1ixd s GLU 53 CO 0.15 -0.84 1.22 -0.51 -0.54 0.00 0.00 175.26 174.73 1ixd s LEU 54 N 2.05 4.39 0.29 2.70 1.43 -1.16 -1.69 118.68 126.69 1ixd s LEU 54 Ca 0.11 2.49 0.09 0.00 -1.03 0.00 0.00 54.13 55.79 1ixd s LEU 54 Cb -0.18 -3.75 0.43 0.00 0.03 0.00 0.00 46.19 42.72 1ixd s LEU 54 CO 0.13 -0.49 1.67 -0.33 0.23 0.00 0.00 176.35 177.55 1ixd h GLU 55 N 3.26 0.12 -5.54 1.70 4.39 -1.89 -3.44 114.58 113.18 1ixd h GLU 55 Ca -0.48 -0.07 -0.65 0.00 0.34 0.00 0.00 59.36 58.50 1ixd h GLU 55 Cb 1.23 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.79 1ixd h GLU 55 CO 0.65 0.60 -0.49 -0.51 -1.16 0.00 0.00 179.01 178.10 1ixd s ASP 56 N -6.88 6.28 -0.88 1.42 1.11 -1.26 -5.03 116.67 111.43 1ixd s ASP 56 Ca -0.03 0.39 -0.25 0.00 0.18 0.00 0.00 52.55 52.84 1ixd s ASP 56 Cb 0.13 -2.05 0.02 0.00 1.07 0.00 0.00 42.92 42.09 1ixd s ASP 56 CO 0.77 0.34 1.55 -1.61 1.18 0.00 0.00 175.17 177.40 1ixd s GLU 57 N -0.62 3.18 -0.23 8.23 2.02 -1.26 -4.74 118.70 125.28 1ixd s GLU 57 Ca 0.13 -0.54 -0.14 0.00 0.02 0.00 0.00 54.97 54.44 1ixd s GLU 57 Cb -0.12 -4.90 -0.04 0.00 0.10 0.00 0.00 34.13 29.17 1ixd s GLU 57 CO 0.02 -2.48 0.31 0.00 0.02 0.00 0.00 175.26 173.13 1ixd s ALA 59 N 1.37 3.75 0.00 0.00 0.00 -1.26 -3.23 121.76 122.38 1ixd s ALA 59 Ca 0.14 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1ixd s ALA 59 Cb -0.15 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1ixd s ALA 59 CO 0.07 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 174.96 1ixd n GLY 60 N 4.29 1.25 3.98 0.00 0.00 -1.26 -5.13 105.19 108.33 1ixd n GLY 60 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.82 0.00 -1.38 0.00 -2.24 -1.23 -4.21 114.28 102.41 1ixd n THR 62 Ca 0.14 -0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.67 1ixd n THR 62 Cb 0.60 -0.68 0.16 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.37 4.04 0.00 3.42 5.68 -1.26 -2.27 116.55 123.79 1ixd n ASP 63 Ca 0.00 -3.71 0.00 0.00 -0.50 0.00 0.00 54.79 50.58 1ixd n ASP 63 Cb 0.02 -0.76 0.00 0.00 -1.14 0.00 0.00 41.12 39.23 1ixd n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ixd n GLY 64 N -1.08 1.64 3.00 6.12 0.00 -1.26 -3.40 105.19 110.21 1ixd n GLY 64 Ca 0.51 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.28 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 1.12 -0.31 2.61 -4.23 -1.26 -1.92 115.64 109.65 1ixd s THR 65 Ca 0.00 -0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 60.02 1ixd s THR 65 Cb 0.00 -1.04 0.03 0.00 1.34 0.00 0.00 72.50 72.83 1ixd s THR 65 CO 0.00 0.36 0.04 0.12 -0.54 0.00 0.00 174.62 174.60 1ixd s PHE 66 N 0.86 3.21 -1.53 3.99 5.36 -0.53 -4.59 117.98 124.76 1ixd s PHE 66 Ca -0.11 -1.49 -0.05 0.00 -0.96 0.00 0.00 56.93 54.32 1ixd s PHE 66 Cb -0.15 -2.19 0.01 0.00 -0.34 0.00 0.00 43.02 40.35 1ixd s PHE 66 CO 0.01 -0.72 0.66 0.54 -1.46 0.00 0.00 175.22 174.25 1ixd n ARG 67 N 4.74 -5.15 -1.94 10.12 1.74 -1.26 -1.90 116.66 123.01 1ixd n ARG 67 Ca -0.14 0.90 -0.02 0.00 -0.77 0.00 0.00 57.85 57.82 1ixd n ARG 67 Cb 0.45 -5.75 -0.00 0.00 -1.02 0.00 0.00 32.46 26.14 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 -1.57 0.31 2.75 -0.13 0.00 -1.26 -5.03 105.19 100.26 1ixd n GLY 68 Ca -0.10 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.11 0.80 0.12 2.61 2.01 -0.80 -5.11 115.64 113.16 1ixd s THR 69 Ca 0.00 -1.05 -0.31 0.00 0.31 0.00 0.00 61.69 60.64 1ixd s THR 69 Cb 0.00 -1.43 -0.09 0.00 0.01 0.00 0.00 72.50 70.99 1ixd s THR 69 CO 0.00 -0.43 1.60 -0.60 -0.69 0.00 0.00 174.62 174.50 1ixd s ARG 70 N 1.69 4.21 -0.10 4.92 3.52 -1.26 -1.45 118.95 130.48 1ixd s ARG 70 Ca 0.04 2.34 -0.01 0.00 -0.13 0.00 0.00 55.73 57.96 1ixd s ARG 70 Cb -0.17 -3.37 -0.06 0.00 -1.56 0.00 0.00 34.95 29.78 1ixd s ARG 70 CO -0.17 -0.66 -0.10 0.66 -0.81 0.00 0.00 175.30 174.22 1ixd n TYR 71 N 4.75 0.00 -4.25 5.12 4.01 -0.81 -4.97 117.16 121.02 1ixd n TYR 71 Ca 0.15 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.71 1ixd n TYR 71 Cb 0.40 -0.39 -0.07 0.00 -0.31 0.00 0.00 39.34 38.97 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 -2.99 -0.77 -3.88 -0.72 -1.74 -1.23 -4.95 117.46 101.18 1ixd n PHE 72 Ca -0.19 -2.56 -0.35 0.00 -0.56 0.00 0.00 57.45 53.79 1ixd n PHE 72 Cb 0.68 0.28 -0.13 0.00 1.52 0.00 0.00 39.48 41.83 1ixd n PHE 72 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1ixd s THR 73 N -3.22 3.10 0.24 1.97 2.01 -1.26 -4.68 115.64 113.79 1ixd s THR 73 Ca 0.36 -1.38 0.01 0.00 0.31 0.00 0.00 61.69 61.00 1ixd s THR 73 Cb 0.02 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 1ixd s THR 73 CO 0.26 -0.14 0.17 0.00 -0.69 0.00 0.00 174.62 174.22 1ixd n ALA 75 N -0.37 -3.76 -2.35 0.00 0.00 -1.26 -4.71 120.51 108.06 1ixd n ALA 75 Ca 0.03 -1.23 -0.39 0.00 0.00 0.00 0.00 53.44 51.85 1ixd n ALA 75 Cb 0.65 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 1ixd n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ixd s LEU 76 N 0.00 4.49 -1.19 0.00 1.43 -1.26 -4.04 118.68 118.11 1ixd s LEU 76 Ca 0.54 1.23 -0.08 0.00 -1.03 0.00 0.00 54.13 54.79 1ixd s LEU 76 Cb -0.08 -2.92 0.01 0.00 0.03 0.00 0.00 46.19 43.23 1ixd s LEU 76 CO 0.44 0.20 0.99 0.29 0.23 0.00 0.00 176.35 178.51 1ixd n LYS 77 N 2.12 -6.74 -2.58 1.70 4.76 -1.03 -4.79 118.16 111.60 1ixd n LYS 77 Ca -0.09 0.72 -0.00 0.00 -2.87 0.00 0.00 58.31 56.07 1ixd n LYS 77 Cb 0.51 -5.42 0.06 0.00 -1.84 0.00 0.00 35.03 28.33 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 -4.35 1.39 -3.52 1.97 5.02 -0.96 -2.05 118.16 115.65 1ixd n LYS 78 Ca 0.00 -2.81 -0.27 0.00 -2.02 0.00 0.00 58.31 53.21 1ixd n LYS 78 Cb 0.56 -0.96 -0.14 0.00 -0.02 0.00 0.00 35.03 34.46 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 -2.48 0.46 -0.33 7.82 0.00 -1.03 -2.99 121.76 123.21 1ixd s ALA 79 Ca 0.24 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 1ixd s ALA 79 Cb 0.34 -1.45 0.06 0.00 0.00 0.00 0.00 23.12 22.07 1ixd s ALA 79 CO -0.07 -1.66 0.08 -1.17 0.00 0.00 0.00 175.76 172.93 1ixd s LEU 80 N 2.14 4.30 0.12 0.00 2.96 0.14 -3.52 118.68 124.81 1ixd s LEU 80 Ca 0.09 -1.36 -0.25 0.00 -0.22 0.00 0.00 54.13 52.38 1ixd s LEU 80 Cb -0.16 -1.79 -0.07 0.00 0.50 0.00 0.00 46.19 44.67 1ixd s LEU 80 CO -0.36 -0.34 0.78 -0.36 -1.32 0.00 0.00 176.35 174.74 1ixd s PHE 81 N 1.29 3.84 0.23 5.38 0.08 -1.26 -0.98 117.98 126.55 1ixd s PHE 81 Ca -0.02 1.57 -0.18 0.00 0.12 0.00 0.00 56.93 58.43 1ixd s PHE 81 Cb -0.20 -2.79 0.02 0.00 -0.57 0.00 0.00 43.02 39.48 1ixd s PHE 81 CO -0.00 0.42 0.58 0.14 -0.10 0.00 0.00 175.22 176.25 1ixd s VAL 82 N -0.69 0.01 0.03 -0.44 -7.23 -1.19 -4.96 120.40 105.93 1ixd s VAL 82 Ca 0.37 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 59.32 1ixd s VAL 82 Cb -0.22 -1.79 -0.07 0.00 0.56 0.00 0.00 36.38 34.86 1ixd s VAL 82 CO 0.25 -0.05 1.68 -0.54 -0.31 0.00 0.00 175.10 176.13 1ixd s LYS 83 N -3.91 4.19 0.51 4.82 1.02 -1.26 -0.21 119.74 124.90 1ixd s LYS 83 Ca 0.12 2.31 0.16 0.00 0.02 0.00 0.00 55.97 58.58 1ixd s LYS 83 Cb -0.02 -3.76 1.24 0.00 -0.52 0.00 0.00 37.83 34.77 1ixd s LYS 83 CO 0.02 -0.78 2.11 1.25 -0.92 0.00 0.00 175.35 177.03 1ixd h LEU 84 N 9.23 0.05 -1.81 3.17 5.85 -0.04 -0.56 115.31 131.21 1ixd h LEU 84 Ca -0.42 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1ixd h LEU 84 Cb 1.20 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1ixd h LEU 84 CO 0.94 0.04 -0.15 0.07 -0.34 0.00 0.00 178.44 179.00 1ixd h LYS 85 N 0.06 0.00 -1.03 1.25 2.10 -1.90 -2.14 116.57 114.91 1ixd h LYS 85 Ca 0.06 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.22 1ixd h LYS 85 Cb 0.16 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 31.22 1ixd h LYS 85 CO -0.01 0.15 0.63 0.43 -2.00 0.00 0.00 179.45 178.65 1ixd n SER 86 N -4.01 4.62 -4.52 7.07 7.64 -0.22 -4.93 113.62 119.28 1ixd n SER 86 Ca -0.02 -3.47 -0.28 0.00 1.01 0.00 0.00 58.87 56.11 1ixd n SER 86 Cb 0.23 -0.85 -0.10 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 -2.53 0.74 0.10 0.00 0.52 0.26 -4.92 118.95 113.12 1ixd s ARG 88 Ca 0.22 -0.62 -0.35 0.00 -0.52 0.00 0.00 55.73 54.46 1ixd s ARG 88 Cb -0.09 -0.69 -0.14 0.00 0.52 0.00 0.00 34.95 34.55 1ixd s ARG 88 CO 0.12 0.17 1.59 -2.30 0.02 0.00 0.00 175.30 174.90 1ixd n PRO 89 N 2.08 1.97 -3.52 3.54 -0.02 -1.26 0.62 135.00 138.40 1ixd n PRO 89 Ca -0.18 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1ixd n PRO 89 Cb 0.55 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 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 1.39 5.89 -0.45 2.55 2.15 -0.97 -4.67 116.67 122.55 1ixd s ASP 90 Ca 0.82 -1.14 0.03 0.00 0.43 0.00 0.00 52.55 52.69 1ixd s ASP 90 Cb -0.74 -2.08 0.61 0.00 -0.30 0.00 0.00 42.92 40.41 1ixd s ASP 90 CO 0.42 -0.48 1.90 -0.24 -0.17 0.00 0.00 175.17 176.59 1ixd n SER 91 N 5.06 4.21 -0.02 -0.34 2.88 -1.26 -4.50 113.62 119.65 1ixd n SER 91 Ca -0.11 -3.55 -0.03 0.00 -1.33 0.00 0.00 58.87 53.84 1ixd n SER 91 Cb 0.45 -0.84 0.21 0.00 -0.75 0.00 0.00 64.21 63.28 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 1.08 0.58 -0.25 -1.46 2.47 -1.97 -2.96 114.38 111.87 1ixd h ARG 92 Ca 0.60 -0.18 -0.12 0.00 -1.26 0.00 0.00 59.98 59.03 1ixd h ARG 92 Cb 2.54 -0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 30.73 1ixd h ARG 92 CO 1.11 0.69 -0.15 1.19 0.56 0.00 0.00 179.97 183.38 1ixd n PHE 93 N -4.19 0.79 -3.71 3.04 3.01 -1.26 -4.99 117.46 110.16 1ixd n PHE 93 Ca 0.01 -1.47 -0.37 0.00 1.01 0.00 0.00 57.45 56.63 1ixd n PHE 93 Cb 0.34 -0.41 -0.11 0.00 -0.01 0.00 0.00 39.48 39.29 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 -3.18 3.44 -0.38 4.37 0.00 -1.12 -5.07 121.76 119.83 1ixd s ALA 94 Ca 0.42 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.22 1ixd s ALA 94 Cb 0.38 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 21.25 1ixd s ALA 94 CO -0.00 -0.34 0.40 -1.12 0.00 0.00 0.00 175.76 174.70 1ixd s SER 95 N 1.35 6.19 0.00 0.00 0.01 -1.26 -4.86 113.70 115.12 1ixd s SER 95 Ca 0.06 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1ixd s SER 95 Cb -0.15 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1ixd s SER 95 CO 0.06 -0.45 0.00 0.18 0.41 0.00 0.00 173.24 173.44 1ixd n LEU 96 N 5.49 2.04 0.00 2.44 4.77 -1.26 -5.08 117.00 125.40 1ixd n LEU 96 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1ixd n LEU 96 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1ixd n LEU 96 CO 0.43 0.34 0.00 0.00 -1.33 0.00 0.00 177.39 176.82 1ixd n GLN 97 N -2.62 0.00 -2.42 3.23 6.02 -1.26 -5.15 117.38 115.18 1ixd n GLN 97 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 1ixd n GLN 97 Cb 0.48 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.72 1ixd n GLN 97 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1ixd s PRO 98 N 0.00 3.92 0.03 -1.09 0.04 -1.26 -5.06 135.00 131.58 1ixd s PRO 98 Ca 0.00 1.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.47 1ixd s PRO 98 Cb 0.00 -2.41 0.03 0.00 0.04 0.00 0.00 34.50 32.16 1ixd s PRO 98 CO 0.00 -0.37 0.40 -1.54 0.04 0.00 0.00 177.00 175.52 1ixd s SER 99 N -1.54 -0.27 -0.48 6.66 1.04 -1.26 -5.01 113.70 112.84 1ixd s SER 99 Ca 0.62 0.02 0.06 0.00 0.48 0.00 0.00 55.95 57.13 1ixd s SER 99 Cb -0.24 0.41 0.20 0.00 0.10 0.00 0.00 66.02 66.49 1ixd s SER 99 CO 0.29 -0.63 0.69 0.61 0.98 0.00 0.00 173.24 175.18 1ixd n GLY 100 N 0.63 0.32 3.53 7.32 0.00 -1.26 -5.15 105.19 110.58 1ixd n GLY 100 Ca -0.19 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 2.47 0.53 -4.43 1.61 -0.02 -1.26 -5.02 135.00 128.88 1ixd n PRO 101 Ca 0.18 0.22 -0.26 0.00 -2.02 0.00 0.00 63.50 61.62 1ixd n PRO 101 Cb 0.56 -1.95 -0.11 0.00 -0.02 0.00 0.00 33.50 31.98 1ixd n PRO 101 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1ixd s SER 102 N -1.38 3.47 -0.15 2.55 0.01 -1.26 -5.05 113.70 111.91 1ixd s SER 102 Ca 0.70 -0.90 0.16 0.00 1.31 0.00 0.00 55.95 57.22 1ixd s SER 102 Cb -0.39 -0.27 0.34 0.00 0.21 0.00 0.00 66.02 65.92 1ixd s SER 102 CO 0.53 0.10 1.20 -1.20 0.41 0.00 0.00 173.24 174.28 1ixd n SER 103 N 0.08 0.12 0.00 2.44 7.64 -1.26 -5.37 113.62 117.26 1ixd n SER 103 Ca -0.11 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.72 1ixd n SER 103 Cb 0.57 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1ixd n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64