#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 -7.70 -1.30 1.61 7.64 -1.26 -4.81 113.62 107.80 1ixd n SER 2 Ca 0.00 0.38 0.14 0.00 1.01 0.00 0.00 58.87 60.40 1ixd n SER 2 Cb 0.00 -5.22 -0.03 0.00 -1.01 0.00 0.00 64.21 57.95 1ixd n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ixd n SER 3 N -0.63 -7.76 -2.66 6.43 7.64 -1.26 -4.90 113.62 110.48 1ixd n SER 3 Ca 0.09 1.09 -0.08 0.00 1.01 0.00 0.00 58.87 60.98 1ixd n SER 3 Cb 0.46 -3.07 0.05 0.00 -1.01 0.00 0.00 64.21 60.64 1ixd n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ixd n GLY 4 N -2.98 -0.44 2.59 0.23 0.00 -1.26 -4.97 105.19 98.35 1ixd n GLY 4 Ca 0.01 -1.80 0.15 0.00 0.00 0.00 0.00 46.02 44.38 1ixd n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ixd n SER 5 N -3.14 -7.85 -3.16 1.61 7.64 -1.26 -4.86 113.62 102.60 1ixd n SER 5 Ca 0.05 1.20 -0.18 0.00 1.01 0.00 0.00 58.87 60.95 1ixd n SER 5 Cb 0.18 -3.38 0.15 0.00 -1.01 0.00 0.00 64.21 60.15 1ixd n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ixd n SER 6 N -3.90 -1.54 -1.81 6.43 7.64 -1.26 -5.05 113.62 114.13 1ixd n SER 6 Ca 0.01 -0.94 -0.06 0.00 1.01 0.00 0.00 58.87 58.88 1ixd n SER 6 Cb 0.51 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 63.07 1ixd n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ixd n GLY 7 N -1.87 3.03 3.29 0.23 0.00 -1.26 -5.06 105.19 103.55 1ixd n GLY 7 Ca 0.09 -1.57 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 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 2.54 0.00 0.99 1.43 -1.26 -5.05 118.68 117.33 1ixd s LEU 8 Ca 0.13 -1.02 0.12 0.00 -1.03 0.00 0.00 54.13 52.33 1ixd s LEU 8 Cb -0.00 -0.49 0.20 0.00 0.03 0.00 0.00 46.19 45.94 1ixd s LEU 8 CO 0.09 -0.26 1.06 0.00 0.23 0.00 0.00 176.35 177.47 1ixd n ALA 9 N -0.28 2.98 -2.78 4.21 0.00 -1.26 -5.01 120.51 118.37 1ixd n ALA 9 Ca -0.09 -1.46 -0.03 0.00 0.00 0.00 0.00 53.44 51.85 1ixd n ALA 9 Cb 0.60 -0.52 0.01 0.00 0.00 0.00 0.00 19.45 19.55 1ixd n ALA 9 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1ixd s MET 10 N 0.00 0.81 0.22 0.00 -1.94 -1.26 -5.04 119.30 112.09 1ixd s MET 10 Ca 0.16 -0.74 -0.08 0.00 -1.71 0.00 0.00 55.69 53.32 1ixd s MET 10 Cb 0.18 -0.02 0.33 0.00 2.01 0.00 0.00 34.83 37.33 1ixd s MET 10 CO -0.08 -1.01 1.75 -1.35 -0.01 0.00 0.00 175.02 174.32 1ixd h PRO 11 N 5.01 0.45 0.00 2.03 0.11 -1.95 -0.02 132.00 137.62 1ixd h PRO 11 Ca 0.04 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1ixd h PRO 11 Cb 1.14 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ixd h PRO 11 CO -0.01 0.30 -0.01 -1.35 -0.21 0.00 0.00 178.00 176.71 1ixd h PRO 12 N 0.47 0.00 -6.29 1.05 0.11 -2.02 -3.43 132.00 121.89 1ixd h PRO 12 Ca 0.34 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.95 1ixd h PRO 12 Cb 0.43 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1ixd h PRO 12 CO -0.32 0.01 -0.27 0.20 -0.21 0.00 0.00 178.00 177.42 1ixd s GLY 13 N -4.16 2.05 -0.08 -0.55 0.00 -0.02 -5.07 107.32 99.49 1ixd s GLY 13 Ca -0.03 -1.78 -0.16 0.00 0.00 0.00 0.00 44.72 42.75 1ixd s GLY 13 CO 0.47 -1.72 0.56 3.43 0.00 0.00 0.00 173.10 175.84 1ixd h ASN 14 N 0.68 -0.12 0.00 1.64 2.35 -1.84 -3.46 115.58 114.82 1ixd h ASN 14 Ca -0.37 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.03 1ixd h ASN 14 Cb 1.28 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.68 1ixd h ASN 14 CO 0.51 0.51 -0.23 -0.24 -1.65 0.00 0.00 177.43 176.33 1ixd n SER 15 N -4.83 0.26 0.00 5.81 2.88 -1.26 -5.03 113.62 111.45 1ixd n SER 15 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1ixd n SER 15 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1ixd n SER 15 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1ixd n HIS 16 N -2.36 -1.20 0.00 0.66 -0.00 -1.26 -4.45 115.22 106.61 1ixd n HIS 16 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ixd n HIS 16 Cb 0.11 0.35 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 1ixd n HIS 16 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ixd n GLY 17 N -0.54 -0.91 3.24 1.57 0.00 -1.26 -4.98 105.19 102.32 1ixd n GLY 17 Ca 0.00 0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 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 5.30 0.34 0.99 1.43 -1.26 -4.93 118.68 120.55 1ixd s LEU 18 Ca 0.00 -1.64 0.01 0.00 -1.03 0.00 0.00 54.13 51.46 1ixd s LEU 18 Cb 0.00 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1ixd s LEU 18 CO 0.00 -0.58 0.41 -1.83 0.23 0.00 0.00 176.35 174.58 1ixd s GLU 19 N 1.39 1.86 0.28 1.70 -1.05 -1.26 -4.94 118.70 116.68 1ixd s GLU 19 Ca 0.04 -1.84 -0.30 0.00 -0.15 0.00 0.00 54.97 52.71 1ixd s GLU 19 Cb -0.24 0.40 -0.12 0.00 -0.44 0.00 0.00 34.13 33.73 1ixd s GLU 19 CO 0.01 -0.74 1.49 0.28 0.95 0.00 0.00 175.26 177.25 1ixd n VAL 20 N -0.58 1.10 0.00 1.83 0.31 -1.26 -2.12 118.33 117.61 1ixd n VAL 20 Ca 0.03 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1ixd n VAL 20 Cb 0.62 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 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 2.00 2.60 3.80 2.92 0.00 -0.40 -4.99 105.19 111.12 1ixd n GLY 21 Ca 0.09 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 6.16 0.36 1.61 0.01 -0.90 -4.74 113.70 116.21 1ixd s SER 22 Ca 0.00 1.86 -0.15 0.00 1.31 0.00 0.00 55.95 58.96 1ixd s SER 22 Cb 0.00 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 1ixd s SER 22 CO 0.00 -0.91 0.79 -0.76 0.41 0.00 0.00 173.24 172.77 1ixd s LEU 23 N -3.91 3.98 0.17 2.44 1.43 -1.26 -1.50 118.68 120.04 1ixd s LEU 23 Ca 0.65 1.34 -0.13 0.00 -1.03 0.00 0.00 54.13 54.96 1ixd s LEU 23 Cb -0.16 -4.17 0.01 0.00 0.03 0.00 0.00 46.19 41.91 1ixd s LEU 23 CO 0.27 -0.28 0.40 0.00 0.23 0.00 0.00 176.35 176.97 1ixd s ALA 24 N -2.11 -0.48 0.02 4.21 0.00 -1.00 -2.16 121.76 120.23 1ixd s ALA 24 Ca 0.55 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1ixd s ALA 24 Cb -0.10 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 1ixd s ALA 24 CO 0.19 -0.72 -0.11 -2.00 0.00 0.00 0.00 175.76 173.13 1ixd s GLU 25 N -3.91 0.79 0.06 0.00 2.12 0.14 -3.74 118.70 114.16 1ixd s GLU 25 Ca 0.12 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 54.94 1ixd s GLU 25 Cb 0.01 -0.75 -0.04 0.00 0.26 0.00 0.00 34.13 33.62 1ixd s GLU 25 CO -0.02 0.19 0.02 0.08 -0.54 0.00 0.00 175.26 174.99 1ixd s VAL 26 N -0.61 4.18 -1.20 3.70 1.01 -1.26 -0.38 120.40 125.84 1ixd s VAL 26 Ca 0.01 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 1ixd s VAL 26 Cb -0.06 -2.97 0.18 0.00 0.00 0.00 0.00 36.38 33.54 1ixd s VAL 26 CO 0.00 0.19 1.41 0.29 0.00 0.00 0.00 175.10 177.00 1ixd n LYS 27 N 0.77 3.39 -4.10 2.72 4.76 -1.26 -4.87 118.16 119.57 1ixd n LYS 27 Ca -0.11 -3.91 -0.24 0.00 -2.87 0.00 0.00 58.31 51.18 1ixd n LYS 27 Cb 0.52 -2.99 -0.06 0.00 -1.84 0.00 0.00 35.03 30.66 1ixd n LYS 27 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1ixd n GLU 28 N 5.33 0.81 0.42 1.97 2.13 -1.26 -5.08 120.64 124.97 1ixd n GLU 28 Ca 0.36 -2.96 -0.18 0.00 0.66 0.00 0.00 57.16 55.04 1ixd n GLU 28 Cb 0.42 1.20 -0.09 0.00 0.27 0.00 0.00 31.44 33.24 1ixd n GLU 28 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1ixd h ASN 29 N 1.18 -0.92 -3.42 4.31 -0.26 -2.05 -3.40 115.58 111.02 1ixd h ASN 29 Ca -0.30 0.02 -0.56 0.00 -0.56 0.00 0.00 56.30 54.89 1ixd h ASN 29 Cb 1.03 0.24 -0.06 0.00 -1.06 0.00 0.00 38.32 38.47 1ixd h ASN 29 CO 0.50 -0.59 1.02 -2.16 -1.06 0.00 0.00 177.43 175.14 1ixd s PRO 30 N -5.42 3.61 -0.98 0.81 0.04 -1.26 -4.95 135.00 126.85 1ixd s PRO 30 Ca -0.17 0.75 -0.24 0.00 0.04 0.00 0.00 61.00 61.38 1ixd s PRO 30 Cb 0.02 -3.99 -0.06 0.00 0.04 0.00 0.00 34.50 30.51 1ixd s PRO 30 CO 0.53 -1.53 1.95 -1.25 0.04 0.00 0.00 177.00 176.74 1ixd s PRO 31 N 4.81 2.52 0.41 0.56 0.04 -1.26 -4.93 135.00 137.15 1ixd s PRO 31 Ca 0.56 -0.54 0.08 0.00 0.04 0.00 0.00 61.00 61.13 1ixd s PRO 31 Cb -0.11 -5.11 -0.03 0.00 0.04 0.00 0.00 34.50 29.29 1ixd s PRO 31 CO 0.32 -3.58 0.35 -0.59 0.04 0.00 0.00 177.00 173.54 1ixd s PHE 32 N 10.44 2.70 -0.08 0.56 -0.12 -1.26 -5.13 117.98 125.08 1ixd s PHE 32 Ca 0.70 -0.50 0.01 0.00 -0.05 0.00 0.00 56.93 57.09 1ixd s PHE 32 Cb -0.05 -2.13 0.02 0.00 -0.63 0.00 0.00 43.02 40.23 1ixd s PHE 32 CO 0.03 -0.07 -0.08 0.71 -0.05 0.00 0.00 175.22 175.77 1ixd s TYR 33 N -2.49 1.31 0.24 3.49 2.02 -1.26 -4.70 117.35 115.96 1ixd s TYR 33 Ca 0.47 -0.55 -0.03 0.00 -0.37 0.00 0.00 57.07 56.59 1ixd s TYR 33 Cb -0.02 -1.06 -0.03 0.00 -0.40 0.00 0.00 41.96 40.45 1ixd s TYR 33 CO 0.27 -0.37 0.26 0.20 -1.57 0.00 0.00 175.55 174.33 1ixd s GLY 34 N 1.26 1.34 0.07 0.71 0.00 -1.24 -3.33 107.32 106.12 1ixd s GLY 34 Ca -0.04 -1.54 0.09 0.00 0.00 0.00 0.00 44.72 43.23 1ixd s GLY 34 CO -0.03 -1.19 -0.23 0.54 0.00 0.00 0.00 173.10 172.19 1ixd s VAL 35 N -3.95 2.46 0.24 1.40 0.11 -1.22 -2.38 120.40 117.06 1ixd s VAL 35 Ca 0.35 -1.40 -0.30 0.00 -2.93 0.00 0.00 61.98 57.70 1ixd s VAL 35 Cb 0.04 -2.03 -0.10 0.00 -1.53 0.00 0.00 36.38 32.77 1ixd s VAL 35 CO 0.14 0.28 1.41 -0.63 -3.33 0.00 0.00 175.10 172.97 1ixd s ILE 36 N -0.93 2.78 0.06 7.04 1.01 -0.56 -2.15 121.20 128.45 1ixd s ILE 36 Ca 0.14 0.65 -0.01 0.00 0.00 0.00 0.00 60.65 61.43 1ixd s ILE 36 Cb -0.10 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 38.95 1ixd s ILE 36 CO 0.05 0.10 -0.01 0.54 0.00 0.00 0.00 174.94 175.62 1ixd n ARG 37 N 2.35 0.02 -5.01 2.79 5.12 0.30 -1.27 116.66 120.96 1ixd n ARG 37 Ca 0.06 0.01 -0.29 0.00 -1.93 0.00 0.00 57.85 55.70 1ixd n ARG 37 Cb 0.41 -0.39 -0.17 0.00 -1.16 0.00 0.00 32.46 31.15 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 -1.72 2.09 -0.27 -1.55 -0.00 -1.25 -4.69 118.94 111.55 1ixd s TRP 38 Ca -0.01 -0.73 0.01 0.00 -0.00 0.00 0.00 56.10 55.37 1ixd s TRP 38 Cb 0.00 -1.41 0.08 0.00 -0.00 0.00 0.00 33.47 32.14 1ixd s TRP 38 CO 0.02 -0.28 -0.01 0.42 -0.00 0.00 0.00 176.95 177.10 1ixd s ILE 39 N 0.21 1.64 0.00 5.86 1.01 -1.26 0.64 121.20 129.30 1ixd s ILE 39 Ca -0.11 -1.55 0.00 0.00 0.00 0.00 0.00 60.65 59.00 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 1.63 2.93 6.18 0.00 -1.17 -4.92 105.19 114.42 1ixd n GLY 40 Ca -0.07 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.96 1.65 0.92 1.61 -0.21 -1.26 -1.28 119.66 119.13 1ixd s GLN 41 Ca 0.00 -0.65 -0.11 0.00 0.02 0.00 0.00 55.36 54.62 1ixd s GLN 41 Cb 0.00 -2.17 0.11 0.00 1.00 0.00 0.00 33.01 31.94 1ixd s GLN 41 CO 0.00 -0.44 0.91 -2.30 -2.12 0.00 0.00 175.29 171.34 1ixd n PRO 42 N 4.80 -0.36 -2.16 2.91 -0.02 -1.26 -4.84 135.00 134.08 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 -2.21 -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 2.78 0.00 0.52 0.04 -1.26 -3.34 135.00 129.47 1ixd s PRO 43 Ca 0.64 -0.67 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 -3.26 0.00 0.41 0.04 0.00 0.00 177.00 174.80 1ixd n GLY 44 N 6.59 1.44 3.05 0.56 0.00 -1.26 -5.10 105.19 110.47 1ixd n GLY 44 Ca 0.40 -0.06 -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 2.98 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.25 1ixd s LEU 45 Ca 0.00 -1.18 -0.28 0.00 0.06 0.00 0.00 54.13 52.73 1ixd s LEU 45 Cb 0.00 -1.46 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 0.00 176.35 176.88 1ixd s ASN 46 N 1.20 6.10 -0.30 1.48 2.47 -1.26 -4.07 114.94 120.56 1ixd s ASN 46 Ca -0.05 0.75 -0.14 0.00 0.42 0.00 0.00 52.86 53.84 1ixd s ASN 46 Cb -0.18 -2.54 0.15 0.00 -1.45 0.00 0.00 41.25 37.23 1ixd s ASN 46 CO -0.07 -1.64 0.88 -1.83 -3.72 0.00 0.00 177.10 170.72 1ixd s GLU 47 N 5.42 0.39 -0.53 0.43 -1.05 -1.26 -5.09 118.70 117.00 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 0.54 -0.05 0.00 -0.44 0.00 0.00 34.13 34.03 1ixd s GLU 47 CO 0.30 -0.13 2.21 0.08 0.95 0.00 0.00 175.26 178.67 1ixd s VAL 48 N 2.49 3.13 -0.31 1.83 1.01 -1.26 -4.20 120.40 123.08 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 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.97 1ixd s VAL 48 CO -0.18 -0.33 0.12 -0.76 0.00 0.00 0.00 175.10 173.95 1ixd s LEU 49 N 11.04 4.09 -0.35 3.92 1.43 -0.40 0.64 118.68 139.05 1ixd s LEU 49 Ca 0.87 -0.72 -0.19 0.00 -1.03 0.00 0.00 54.13 53.05 1ixd s LEU 49 Cb -0.16 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 1ixd s LEU 49 CO 0.24 -0.23 0.58 0.00 0.23 0.00 0.00 176.35 177.18 1ixd s ALA 50 N 1.54 3.47 -0.19 4.21 0.00 0.11 -3.05 121.76 127.86 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 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1ixd s ALA 50 CO 0.04 -1.27 1.57 0.20 0.00 0.00 0.00 175.76 176.30 1ixd s GLY 51 N 1.77 1.33 -0.11 0.00 0.00 0.21 -2.92 107.32 107.60 1ixd s GLY 51 Ca 0.22 0.54 -0.04 0.00 0.00 0.00 0.00 44.72 45.44 1ixd s GLY 51 CO 0.14 2.94 0.05 1.08 0.00 0.00 0.00 173.10 177.31 1ixd s LEU 52 N 4.76 3.83 -0.39 0.66 1.43 0.58 0.11 118.68 129.66 1ixd s LEU 52 Ca 0.69 0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.91 1ixd s LEU 52 Cb -0.26 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.10 1ixd s LEU 52 CO 0.27 0.35 0.23 -0.70 0.23 0.00 0.00 176.35 176.74 1ixd s GLU 53 N -0.71 2.75 0.24 1.70 2.12 -0.91 0.08 118.70 123.97 1ixd s GLU 53 Ca 0.12 -1.23 -0.30 0.00 0.36 0.00 0.00 54.97 53.92 1ixd s GLU 53 Cb -0.12 -3.77 -0.09 0.00 0.26 0.00 0.00 34.13 30.42 1ixd s GLU 53 CO 0.02 -0.81 1.16 -0.51 -0.54 0.00 0.00 175.26 174.59 1ixd s LEU 54 N 1.51 4.49 0.29 2.70 1.43 -1.11 -3.41 118.68 124.58 1ixd s LEU 54 Ca 0.02 2.28 0.08 0.00 -1.03 0.00 0.00 54.13 55.48 1ixd s LEU 54 Cb -0.21 -3.62 0.43 0.00 0.03 0.00 0.00 46.19 42.83 1ixd s LEU 54 CO 0.05 -0.28 1.67 -0.33 0.23 0.00 0.00 176.35 177.69 1ixd h GLU 55 N 4.47 0.15 -5.59 1.70 5.08 -1.89 -3.43 114.58 115.07 1ixd h GLU 55 Ca -0.46 -0.08 -0.59 0.00 -1.00 0.00 0.00 59.36 57.22 1ixd h GLU 55 Cb 1.21 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.37 1ixd h GLU 55 CO 0.70 0.61 -0.00 -0.51 -1.00 0.00 0.00 179.01 178.81 1ixd s ASP 56 N -6.89 6.61 -0.50 1.42 1.01 -1.26 -4.99 116.67 112.07 1ixd s ASP 56 Ca -0.03 0.74 -0.26 0.00 0.71 0.00 0.00 52.55 53.70 1ixd s ASP 56 Cb 0.13 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.70 1ixd s ASP 56 CO 0.77 -0.19 2.23 -1.61 0.21 0.00 0.00 175.17 176.58 1ixd s GLU 57 N 1.62 2.33 -0.22 8.23 2.02 -1.26 -4.80 118.70 126.63 1ixd s GLU 57 Ca 0.26 1.23 -0.16 0.00 0.02 0.00 0.00 54.97 56.31 1ixd s GLU 57 Cb -0.16 -4.51 -0.04 0.00 0.10 0.00 0.00 34.13 29.53 1ixd s GLU 57 CO 0.10 -3.03 0.42 0.00 0.02 0.00 0.00 175.26 172.78 1ixd s ALA 59 N 1.56 2.90 0.00 0.00 0.00 -1.26 -2.71 121.76 122.24 1ixd s ALA 59 Ca 0.19 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1ixd s ALA 59 Cb -0.15 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1ixd s ALA 59 CO 0.09 -2.58 0.00 0.41 0.00 0.00 0.00 175.76 173.67 1ixd n GLY 60 N 5.39 1.17 3.67 0.00 0.00 -1.26 -5.13 105.19 109.03 1ixd n GLY 60 Ca 0.22 0.00 -0.30 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 s THR 62 N -3.14 2.11 -0.40 0.00 -4.23 -1.05 -4.41 115.64 104.53 1ixd s THR 62 Ca 0.70 -1.19 0.06 0.00 -1.18 0.00 0.00 61.69 60.08 1ixd s THR 62 Cb -0.11 -2.30 0.56 0.00 1.34 0.00 0.00 72.50 71.99 1ixd s THR 62 CO 0.56 0.00 1.70 -0.90 -0.54 0.00 0.00 174.62 175.43 1ixd n ASP 63 N -1.99 3.65 0.00 3.99 5.75 -1.26 -1.14 116.55 125.55 1ixd n ASP 63 Ca 0.08 -3.72 0.00 0.00 -0.01 0.00 0.00 54.79 51.14 1ixd n ASP 63 Cb 0.62 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 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 0.96 2.91 6.12 0.00 -1.26 -3.59 105.19 109.23 1ixd n GLY 64 Ca 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.83 -0.12 -0.33 2.61 -4.23 -1.26 -2.81 115.64 107.66 1ixd s THR 65 Ca 0.00 0.24 -0.06 0.00 -1.18 0.00 0.00 61.69 60.68 1ixd s THR 65 Cb 0.00 -0.27 0.04 0.00 1.34 0.00 0.00 72.50 73.61 1ixd s THR 65 CO 0.00 0.10 0.10 0.12 -0.54 0.00 0.00 174.62 174.39 1ixd s PHE 66 N 1.56 3.25 -1.44 3.99 5.36 -0.74 -4.57 117.98 125.39 1ixd s PHE 66 Ca -0.05 -1.41 -0.07 0.00 -0.96 0.00 0.00 56.93 54.44 1ixd s PHE 66 Cb -0.12 -2.27 0.01 0.00 -0.34 0.00 0.00 43.02 40.31 1ixd s PHE 66 CO -0.06 -0.72 0.89 0.54 -1.46 0.00 0.00 175.22 174.41 1ixd n ARG 67 N 4.81 -6.40 -1.88 10.12 1.74 -1.26 -1.98 116.66 121.81 1ixd n ARG 67 Ca -0.13 0.86 -0.03 0.00 -0.77 0.00 0.00 57.85 57.78 1ixd n ARG 67 Cb 0.45 -5.79 -0.00 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 -1.76 0.31 2.65 -0.13 0.00 -1.26 -5.02 105.19 99.98 1ixd n GLY 68 Ca -0.05 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.14 0.75 0.09 2.61 2.01 -0.84 -5.11 115.64 113.01 1ixd s THR 69 Ca 0.00 -1.65 -0.31 0.00 0.31 0.00 0.00 61.69 60.04 1ixd s THR 69 Cb 0.00 -1.55 -0.08 0.00 0.01 0.00 0.00 72.50 70.88 1ixd s THR 69 CO 0.00 -0.79 1.53 -0.60 -0.69 0.00 0.00 174.62 174.06 1ixd s ARG 70 N 1.27 4.24 -0.10 4.92 3.00 -1.26 -1.80 118.95 129.23 1ixd s ARG 70 Ca 0.13 2.22 0.09 0.00 -1.00 0.00 0.00 55.73 57.16 1ixd s ARG 70 Cb -0.20 -3.41 -0.12 0.00 0.00 0.00 0.00 34.95 31.22 1ixd s ARG 70 CO -0.16 -0.61 0.02 0.66 0.00 0.00 0.00 175.30 175.22 1ixd n TYR 71 N 4.80 0.00 -4.03 5.12 4.01 -1.12 -4.98 117.16 120.96 1ixd n TYR 71 Ca 0.14 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.75 1ixd n TYR 71 Cb 0.41 -0.51 -0.03 0.00 -0.31 0.00 0.00 39.34 38.90 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 -2.42 -1.17 -4.01 -0.72 -1.74 -1.25 -4.96 117.46 101.17 1ixd n PHE 72 Ca -0.17 -2.05 -0.34 0.00 -0.56 0.00 0.00 57.45 54.33 1ixd n PHE 72 Cb 0.83 0.42 -0.15 0.00 1.52 0.00 0.00 39.48 42.10 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 -2.82 2.57 0.33 1.97 2.01 -1.26 -4.70 115.64 113.73 1ixd s THR 73 Ca 0.26 -1.12 0.06 0.00 0.31 0.00 0.00 61.69 61.20 1ixd s THR 73 Cb -0.00 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 1ixd s THR 73 CO 0.19 0.23 0.25 0.00 -0.69 0.00 0.00 174.62 174.60 1ixd n ALA 75 N -0.62 -3.85 -2.50 0.00 0.00 -1.26 -4.76 120.51 107.52 1ixd n ALA 75 Ca 0.06 -1.40 -0.38 0.00 0.00 0.00 0.00 53.44 51.72 1ixd n ALA 75 Cb 0.63 -0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 4.45 -1.26 0.00 1.43 -1.26 -4.15 118.68 117.89 1ixd s LEU 76 Ca 0.61 0.99 -0.08 0.00 -1.03 0.00 0.00 54.13 54.62 1ixd s LEU 76 Cb -0.08 -2.66 0.01 0.00 0.03 0.00 0.00 46.19 43.49 1ixd s LEU 76 CO 0.49 0.26 1.08 0.29 0.23 0.00 0.00 176.35 178.70 1ixd n LYS 77 N 2.12 -7.27 -2.19 1.70 4.76 -1.22 -4.84 118.16 111.23 1ixd n LYS 77 Ca -0.12 0.77 -0.01 0.00 -2.87 0.00 0.00 58.31 56.08 1ixd n LYS 77 Cb 0.52 -5.61 0.04 0.00 -1.84 0.00 0.00 35.03 28.14 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 -4.62 0.96 -3.59 1.97 5.02 -1.07 -1.12 118.16 115.72 1ixd n LYS 78 Ca 0.01 -2.15 -0.29 0.00 -2.02 0.00 0.00 58.31 53.85 1ixd n LYS 78 Cb 0.56 -0.37 -0.15 0.00 -0.02 0.00 0.00 35.03 35.05 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 -1.30 0.81 -0.15 7.82 0.00 -0.29 -2.75 121.76 125.89 1ixd s ALA 79 Ca 0.19 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1ixd s ALA 79 Cb 0.32 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 22.03 1ixd s ALA 79 CO -0.09 -1.63 -0.20 -1.17 0.00 0.00 0.00 175.76 172.68 1ixd s LEU 80 N 2.00 2.06 0.23 0.00 2.96 0.11 -2.51 118.68 123.52 1ixd s LEU 80 Ca 0.09 -0.60 -0.11 0.00 -0.22 0.00 0.00 54.13 53.29 1ixd s LEU 80 Cb -0.16 -1.41 -0.07 0.00 0.50 0.00 0.00 46.19 45.04 1ixd s LEU 80 CO -0.33 0.03 0.57 -0.36 -1.32 0.00 0.00 176.35 174.94 1ixd s PHE 81 N 1.07 3.45 0.23 5.38 0.40 -1.26 -0.30 117.98 126.94 1ixd s PHE 81 Ca -0.01 0.94 -0.18 0.00 -0.60 0.00 0.00 56.93 57.07 1ixd s PHE 81 Cb -0.14 -2.30 0.02 0.00 0.51 0.00 0.00 43.02 41.11 1ixd s PHE 81 CO -0.07 0.28 0.58 0.14 0.70 0.00 0.00 175.22 176.84 1ixd s VAL 82 N -1.78 0.01 -0.03 -0.44 -7.23 -1.15 -4.92 120.40 104.87 1ixd s VAL 82 Ca 0.47 -0.90 -0.30 0.00 -1.81 0.00 0.00 61.98 59.44 1ixd s VAL 82 Cb -0.12 -1.77 -0.06 0.00 0.56 0.00 0.00 36.38 35.00 1ixd s VAL 82 CO 0.20 -0.05 1.54 -0.54 -0.31 0.00 0.00 175.10 175.94 1ixd s LYS 83 N -3.90 4.22 0.44 4.82 1.02 -1.26 0.09 119.74 125.16 1ixd s LYS 83 Ca 0.11 2.10 0.09 0.00 0.02 0.00 0.00 55.97 58.29 1ixd s LYS 83 Cb -0.02 -3.78 0.96 0.00 -0.52 0.00 0.00 37.83 34.46 1ixd s LYS 83 CO 0.01 -0.74 2.08 1.25 -0.92 0.00 0.00 175.35 177.04 1ixd h LEU 84 N 9.38 0.35 -1.85 3.17 5.85 -0.13 -0.88 115.31 131.21 1ixd h LEU 84 Ca -0.38 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 1ixd h LEU 84 Cb 1.17 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1ixd h LEU 84 CO 0.94 0.26 -0.14 0.07 -0.34 0.00 0.00 178.44 179.23 1ixd h LYS 85 N 0.42 0.00 -1.00 1.25 -0.00 -1.90 -2.05 116.57 113.28 1ixd h LYS 85 Ca 0.11 0.00 -0.54 0.00 -0.00 0.00 0.00 60.65 60.22 1ixd h LYS 85 Cb -0.05 0.00 -0.30 0.00 -0.00 0.00 0.00 32.23 31.88 1ixd h LYS 85 CO -0.02 0.14 0.69 0.43 -0.00 0.00 0.00 179.45 180.68 1ixd n SER 86 N -3.92 4.49 -4.58 7.07 7.64 -0.34 -4.95 113.62 119.04 1ixd n SER 86 Ca -0.02 -3.62 -0.24 0.00 1.01 0.00 0.00 58.87 56.00 1ixd n SER 86 Cb 0.23 -0.86 -0.08 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 -3.62 0.29 0.25 0.00 1.81 0.49 -4.96 118.95 113.21 1ixd s ARG 88 Ca 0.31 -0.18 -0.31 0.00 -1.72 0.00 0.00 55.73 53.83 1ixd s ARG 88 Cb -0.05 -0.25 -0.13 0.00 -0.45 0.00 0.00 34.95 34.07 1ixd s ARG 88 CO 0.18 0.06 1.38 -2.30 -0.68 0.00 0.00 175.30 173.95 1ixd n PRO 89 N 2.83 2.02 -3.56 3.54 -0.02 -1.26 0.28 135.00 138.83 1ixd n PRO 89 Ca -0.14 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.68 1ixd n PRO 89 Cb 0.58 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 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 0.21 6.05 -0.49 2.55 2.15 -0.92 -4.65 116.67 121.57 1ixd s ASP 90 Ca 0.67 -0.02 0.02 0.00 0.43 0.00 0.00 52.55 53.65 1ixd s ASP 90 Cb -0.65 -2.13 0.55 0.00 -0.30 0.00 0.00 42.92 40.40 1ixd s ASP 90 CO 0.51 -0.08 1.92 -0.24 -0.17 0.00 0.00 175.17 177.11 1ixd n SER 91 N 5.10 5.06 0.19 -0.34 2.88 -1.26 -4.50 113.62 120.74 1ixd n SER 91 Ca -0.13 -3.57 0.03 0.00 -1.33 0.00 0.00 58.87 53.87 1ixd n SER 91 Cb 0.52 -0.88 0.39 0.00 -0.75 0.00 0.00 64.21 63.49 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 1.28 0.02 -0.31 -1.46 2.47 -1.96 -3.19 114.38 111.24 1ixd h ARG 92 Ca 0.59 -0.01 -0.25 0.00 -1.26 0.00 0.00 59.98 59.05 1ixd h ARG 92 Cb 2.08 -0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 30.06 1ixd h ARG 92 CO 1.20 0.34 -0.92 1.19 0.56 0.00 0.00 179.97 182.33 1ixd n PHE 93 N -4.16 1.03 -3.41 3.04 3.01 -1.26 -5.07 117.46 110.65 1ixd n PHE 93 Ca -0.02 -1.61 -0.37 0.00 1.01 0.00 0.00 57.45 56.46 1ixd n PHE 93 Cb 0.36 -0.24 -0.07 0.00 -0.01 0.00 0.00 39.48 39.53 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 -2.64 3.53 -0.10 4.37 0.00 -1.21 -5.06 121.76 120.65 1ixd s ALA 94 Ca 0.36 -0.33 -0.21 0.00 0.00 0.00 0.00 51.96 51.78 1ixd s ALA 94 Cb 0.37 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1ixd s ALA 94 CO -0.06 -0.01 0.61 -1.54 0.00 0.00 0.00 175.76 174.75 1ixd s SER 95 N 0.63 6.84 -0.30 0.00 1.04 -1.26 -5.04 113.70 115.62 1ixd s SER 95 Ca 0.21 1.01 -0.13 0.00 0.48 0.00 0.00 55.95 57.53 1ixd s SER 95 Cb -0.14 -2.36 0.14 0.00 0.10 0.00 0.00 66.02 63.76 1ixd s SER 95 CO 0.07 -0.09 0.79 -0.76 0.98 0.00 0.00 173.24 174.24 1ixd s LEU 96 N 0.85 -0.89 -0.32 2.42 1.43 -1.26 -5.13 118.68 115.79 1ixd s LEU 96 Ca 0.32 1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 54.65 1ixd s LEU 96 Cb -0.16 2.06 0.12 0.00 0.03 0.00 0.00 46.19 48.23 1ixd s LEU 96 CO 0.14 -0.18 0.17 0.00 0.23 0.00 0.00 176.35 176.72 1ixd s GLN 97 N 2.49 0.38 0.56 1.70 -2.07 -1.26 -5.00 119.66 116.46 1ixd s GLN 97 Ca -0.06 -0.94 0.32 0.00 -1.82 0.00 0.00 55.36 52.86 1ixd s GLN 97 Cb -0.09 -1.24 1.47 0.00 -1.09 0.00 0.00 33.01 32.06 1ixd s GLN 97 CO -0.18 -1.12 1.84 -1.35 -1.32 0.00 0.00 175.29 173.16 1ixd h PRO 98 N 7.69 0.00 -5.56 9.60 0.11 -2.06 -3.38 132.00 138.40 1ixd h PRO 98 Ca -0.07 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.39 1ixd h PRO 98 Cb 0.99 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.87 1ixd h PRO 98 CO 0.35 0.00 -0.72 -1.12 -0.21 0.00 0.00 178.00 176.30 1ixd s SER 99 N -5.27 4.38 0.06 -2.05 0.01 -1.26 -5.12 113.70 104.44 1ixd s SER 99 Ca -0.05 -0.20 0.04 0.00 1.31 0.00 0.00 55.95 57.06 1ixd s SER 99 Cb 0.20 -1.51 -0.03 0.00 0.21 0.00 0.00 66.02 64.89 1ixd s SER 99 CO 0.70 0.22 -0.12 -0.83 0.41 0.00 0.00 173.24 173.62 1ixd s GLY 100 N 0.04 0.71 -0.93 3.44 0.00 -1.26 -5.04 107.32 104.28 1ixd s GLY 100 Ca -0.03 -0.88 -0.10 0.00 0.00 0.00 0.00 44.72 43.72 1ixd s GLY 100 CO 0.04 -0.91 2.10 -1.55 0.00 0.00 0.00 173.10 172.77 1ixd n PRO 101 N 1.43 2.04 -0.05 2.90 -0.04 -1.26 -4.44 135.00 135.58 1ixd n PRO 101 Ca -0.21 -1.60 -0.03 0.00 -0.04 0.00 0.00 63.50 61.61 1ixd n PRO 101 Cb 0.54 -2.59 -0.01 0.00 -0.04 0.00 0.00 33.50 31.40 1ixd n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ixd n SER 102 N 4.95 1.26 -3.53 3.54 2.88 -1.26 -5.08 113.62 116.37 1ixd n SER 102 Ca 0.47 0.49 -0.10 0.00 -1.33 0.00 0.00 58.87 58.40 1ixd n SER 102 Cb 0.20 -0.75 -0.02 0.00 -0.75 0.00 0.00 64.21 62.89 1ixd n SER 102 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ixd s SER 103 N -5.07 -0.48 0.00 -3.46 0.01 -1.26 -5.35 113.70 98.09 1ixd s SER 103 Ca -0.11 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1ixd s SER 103 Cb 0.02 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1ixd s SER 103 CO 0.16 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.38