#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 5.72 -4.23 1.61 3.41 -1.26 -4.96 113.62 113.92 1ixd n SER 2 Ca 0.00 -3.73 -0.26 0.00 -0.26 0.00 0.00 58.87 54.62 1ixd n SER 2 Cb 0.00 -0.85 -0.08 0.00 -0.26 0.00 0.00 64.21 63.01 1ixd n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ixd s SER 3 N -1.86 2.92 0.10 4.04 0.01 -1.26 -5.10 113.70 112.54 1ixd s SER 3 Ca 0.59 -1.64 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1ixd s SER 3 Cb 0.48 0.44 0.00 0.00 0.21 0.00 0.00 66.02 67.16 1ixd s SER 3 CO 0.03 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1ixd n GLY 4 N -0.93 -0.24 1.92 3.44 0.00 -1.26 -5.18 105.19 102.93 1ixd n GLY 4 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.82 -1.05 -4.88 1.61 2.88 -1.26 -5.17 113.62 102.93 1ixd n SER 5 Ca 0.00 -1.67 -0.31 0.00 -1.33 0.00 0.00 58.87 55.56 1ixd n SER 5 Cb 0.00 1.74 -0.04 0.00 -0.75 0.00 0.00 64.21 65.16 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 -2.12 6.57 0.00 -3.46 0.01 -1.26 -4.88 113.70 108.56 1ixd s SER 6 Ca 0.09 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.31 1ixd s SER 6 Cb -0.02 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1ixd s SER 6 CO 0.05 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1ixd n GLY 7 N -0.67 0.25 2.81 3.44 0.00 -1.26 -5.07 105.19 104.69 1ixd n GLY 7 Ca 0.01 -1.25 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 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 -7.99 -3.32 0.99 4.32 -1.26 -4.86 117.00 104.88 1ixd n LEU 8 Ca 0.00 0.80 -0.38 0.00 -0.02 0.00 0.00 56.01 56.41 1ixd n LEU 8 Cb 0.00 -3.39 -0.02 0.00 -1.62 0.00 0.00 43.42 38.39 1ixd n LEU 8 CO 0.00 -2.62 2.54 0.00 -1.22 0.00 0.00 177.39 176.09 1ixd n ALA 9 N -0.01 6.94 -2.70 -1.18 0.00 -1.26 -4.38 120.51 117.93 1ixd n ALA 9 Ca 0.08 -3.81 -0.06 0.00 0.00 0.00 0.00 53.44 49.65 1ixd n ALA 9 Cb 0.33 -2.84 0.09 0.00 0.00 0.00 0.00 19.45 17.02 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 2.08 0.46 -0.09 0.00 -0.00 -1.26 -4.93 117.12 113.38 1ixd n MET 10 Ca 0.64 -1.18 -0.08 0.00 -0.00 0.00 0.00 57.70 57.09 1ixd n MET 10 Cb 0.29 -0.63 -0.00 0.00 -0.00 0.00 0.00 33.22 32.88 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 2.98 0.31 -0.10 3.17 0.11 -1.94 -1.97 132.00 134.57 1ixd h PRO 11 Ca -0.21 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.90 1ixd h PRO 11 Cb 1.15 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ixd h PRO 11 CO 0.04 0.21 0.22 -1.35 -0.21 0.00 0.00 178.00 176.91 1ixd h PRO 12 N 0.32 0.00 0.00 1.05 0.11 -1.96 -3.47 132.00 128.05 1ixd h PRO 12 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1ixd h PRO 12 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1ixd h PRO 12 CO -0.10 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.10 1ixd n GLY 13 N -1.27 -0.03 3.02 -0.55 0.00 -0.74 -5.12 105.19 100.48 1ixd n GLY 13 Ca -0.00 -2.07 0.14 0.00 0.00 0.00 0.00 46.02 44.09 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 -7.89 0.23 1.61 4.13 -1.26 -4.51 115.26 107.57 1ixd n ASN 14 Ca 0.00 1.13 -0.10 0.00 1.68 0.00 0.00 54.58 57.29 1ixd n ASN 14 Cb 0.00 -3.16 -0.05 0.00 -1.54 0.00 0.00 39.78 35.03 1ixd n ASN 14 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1ixd h SER 15 N -0.97 -0.54 0.00 6.41 4.64 -1.94 -3.47 113.55 117.69 1ixd h SER 15 Ca 0.02 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1ixd h SER 15 Cb 0.96 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1ixd h SER 15 CO 0.01 -0.18 0.00 1.41 -0.87 0.00 0.00 176.83 177.19 1ixd n HIS 16 N -4.82 0.00 -2.69 4.77 8.25 -1.26 -4.91 115.22 114.55 1ixd n HIS 16 Ca -0.08 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.32 1ixd n HIS 16 Cb 0.25 0.20 0.09 0.00 1.12 0.00 0.00 29.99 31.66 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 2.45 -0.20 3.49 -1.41 0.00 -1.26 -4.79 105.19 103.47 1ixd n GLY 17 Ca 0.00 0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.98 4.57 0.00 0.99 1.43 -1.26 -5.00 118.68 117.44 1ixd s LEU 18 Ca 0.20 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 1ixd s LEU 18 Cb 0.28 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 1ixd s LEU 18 CO -0.11 -0.93 0.19 -1.84 0.23 0.00 0.00 176.35 173.90 1ixd n GLU 19 N 6.51 0.47 -1.87 1.70 0.28 -1.26 -5.06 120.64 121.41 1ixd n GLU 19 Ca -0.02 -2.96 -0.42 0.00 -0.16 0.00 0.00 57.16 53.60 1ixd n GLU 19 Cb 0.47 2.05 -0.02 0.00 1.43 0.00 0.00 31.44 35.37 1ixd n GLU 19 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1ixd s VAL 20 N -3.05 2.36 0.00 3.84 1.01 -1.26 -2.62 120.40 120.67 1ixd s VAL 20 Ca 0.27 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1ixd s VAL 20 Cb 0.01 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1ixd s VAL 20 CO 0.19 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1ixd n GLY 21 N 2.76 3.11 3.80 4.51 0.00 -0.44 -5.00 105.19 113.93 1ixd n GLY 21 Ca 0.10 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 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 6.96 0.26 1.61 0.01 -1.08 -4.70 113.70 116.77 1ixd s SER 22 Ca 0.00 1.80 -0.22 0.00 1.31 0.00 0.00 55.95 58.84 1ixd s SER 22 Cb 0.00 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 1ixd s SER 22 CO 0.00 -0.35 0.80 -0.76 0.41 0.00 0.00 173.24 173.35 1ixd s LEU 23 N -2.84 4.32 -0.06 2.44 1.43 -1.26 -1.62 118.68 121.08 1ixd s LEU 23 Ca 0.59 1.56 -0.05 0.00 -1.03 0.00 0.00 54.13 55.20 1ixd s LEU 23 Cb -0.14 -3.77 0.02 0.00 0.03 0.00 0.00 46.19 42.33 1ixd s LEU 23 CO 0.18 -0.02 0.16 0.00 0.23 0.00 0.00 176.35 176.91 1ixd s ALA 24 N -1.59 -0.39 -0.17 4.21 0.00 -1.07 -0.88 121.76 121.87 1ixd s ALA 24 Ca 0.46 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 52.89 1ixd s ALA 24 Cb -0.17 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1ixd s ALA 24 CO 0.21 -0.10 0.04 -2.00 0.00 0.00 0.00 175.76 173.91 1ixd s GLU 25 N 0.36 3.89 0.02 0.00 -6.30 -0.40 -4.14 118.70 112.13 1ixd s GLU 25 Ca -0.02 -0.39 -0.09 0.00 -2.50 0.00 0.00 54.97 51.97 1ixd s GLU 25 Cb -0.04 -3.13 -0.05 0.00 0.00 0.00 0.00 34.13 30.91 1ixd s GLU 25 CO -0.01 0.28 0.33 0.08 0.02 0.00 0.00 175.26 175.95 1ixd s VAL 26 N 0.34 5.19 -1.17 3.70 1.01 -1.26 -1.77 120.40 126.43 1ixd s VAL 26 Ca 0.01 0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 1ixd s VAL 26 Cb -0.13 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1ixd s VAL 26 CO 0.01 0.40 2.80 1.17 0.00 0.00 0.00 175.10 179.48 1ixd n LYS 27 N 1.26 3.70 -2.48 2.72 4.81 -1.24 -4.84 118.16 122.08 1ixd n LYS 27 Ca -0.11 -2.57 -0.15 0.00 -0.87 0.00 0.00 58.31 54.60 1ixd n LYS 27 Cb 0.53 -2.56 0.06 0.00 0.02 0.00 0.00 35.03 33.08 1ixd n LYS 27 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ixd n GLU 28 N 2.39 0.63 0.42 1.64 2.13 -1.26 -5.05 120.64 121.54 1ixd n GLU 28 Ca 0.65 -2.38 -0.18 0.00 0.66 0.00 0.00 57.16 55.91 1ixd n GLU 28 Cb 0.36 -0.22 -0.09 0.00 0.27 0.00 0.00 31.44 31.76 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 0.02 -0.91 -3.42 4.31 2.35 -2.05 -3.40 115.58 112.48 1ixd h ASN 29 Ca -0.21 0.02 -0.56 0.00 -0.55 0.00 0.00 56.30 54.99 1ixd h ASN 29 Cb 0.96 0.24 -0.06 0.00 0.05 0.00 0.00 38.32 39.51 1ixd h ASN 29 CO 0.30 -0.58 1.02 -2.16 -1.65 0.00 0.00 177.43 174.36 1ixd s PRO 30 N -5.37 3.61 -0.86 0.81 0.04 -1.26 -4.95 135.00 127.01 1ixd s PRO 30 Ca -0.17 0.74 -0.25 0.00 0.04 0.00 0.00 61.00 61.36 1ixd s PRO 30 Cb 0.02 -3.99 -0.05 0.00 0.04 0.00 0.00 34.50 30.52 1ixd s PRO 30 CO 0.53 -1.53 1.96 -1.25 0.04 0.00 0.00 177.00 176.74 1ixd s PRO 31 N 4.81 2.52 0.44 0.56 0.04 -1.26 -4.93 135.00 137.17 1ixd s PRO 31 Ca 0.55 -0.13 0.06 0.00 0.04 0.00 0.00 61.00 61.52 1ixd s PRO 31 Cb -0.11 -4.96 -0.05 0.00 0.04 0.00 0.00 34.50 29.42 1ixd s PRO 31 CO 0.32 -3.34 0.10 -0.59 0.04 0.00 0.00 177.00 173.52 1ixd s PHE 32 N 10.18 2.33 -0.10 0.56 -0.12 -1.26 -5.14 117.98 124.43 1ixd s PHE 32 Ca 0.71 -0.72 -0.01 0.00 -0.05 0.00 0.00 56.93 56.86 1ixd s PHE 32 Cb -0.08 -1.81 0.03 0.00 -0.63 0.00 0.00 43.02 40.53 1ixd s PHE 32 CO 0.02 0.24 -0.04 0.71 -0.05 0.00 0.00 175.22 176.10 1ixd s TYR 33 N -2.72 1.15 0.23 3.49 2.02 -1.26 -4.67 117.35 115.59 1ixd s TYR 33 Ca 0.31 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 1ixd s TYR 33 Cb 0.05 -1.06 -0.05 0.00 -0.40 0.00 0.00 41.96 40.51 1ixd s TYR 33 CO 0.16 -0.45 0.10 0.20 -1.57 0.00 0.00 175.55 173.99 1ixd s GLY 34 N 1.82 1.57 0.00 0.71 0.00 -1.26 -3.13 107.32 107.03 1ixd s GLY 34 Ca 0.05 -1.77 0.04 0.00 0.00 0.00 0.00 44.72 43.03 1ixd s GLY 34 CO -0.07 -1.52 -0.10 0.54 0.00 0.00 0.00 173.10 171.95 1ixd s VAL 35 N -3.89 3.37 0.20 1.40 0.11 -1.14 -2.61 120.40 117.85 1ixd s VAL 35 Ca 0.36 -0.86 -0.31 0.00 -2.93 0.00 0.00 61.98 58.25 1ixd s VAL 35 Cb 0.07 -2.44 -0.10 0.00 -1.53 0.00 0.00 36.38 32.39 1ixd s VAL 35 CO 0.12 0.41 1.46 -0.63 -3.33 0.00 0.00 175.10 173.12 1ixd s ILE 36 N -0.94 2.79 0.03 7.04 1.01 -0.64 -1.21 121.20 129.28 1ixd s ILE 36 Ca 0.16 0.61 -0.02 0.00 0.00 0.00 0.00 60.65 61.40 1ixd s ILE 36 Cb -0.11 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 1ixd s ILE 36 CO 0.06 0.08 -0.05 0.54 0.00 0.00 0.00 174.94 175.57 1ixd n ARG 37 N 3.06 0.07 -4.89 2.79 5.12 0.30 -1.32 116.66 121.79 1ixd n ARG 37 Ca 0.09 0.03 -0.27 0.00 -1.93 0.00 0.00 57.85 55.77 1ixd n ARG 37 Cb 0.40 -0.50 -0.16 0.00 -1.16 0.00 0.00 32.46 31.03 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 -1.83 1.88 -0.28 -1.55 -0.00 -1.25 -4.74 118.94 111.17 1ixd s TRP 38 Ca -0.04 -0.62 0.02 0.00 -0.00 0.00 0.00 56.10 55.46 1ixd s TRP 38 Cb 0.01 -1.28 0.08 0.00 -0.00 0.00 0.00 33.47 32.27 1ixd s TRP 38 CO 0.06 -0.24 -0.02 0.42 -0.00 0.00 0.00 176.95 177.17 1ixd s ILE 39 N 0.21 1.77 0.00 5.86 1.01 -1.26 0.75 121.20 129.54 1ixd s ILE 39 Ca -0.09 -1.62 0.00 0.00 0.00 0.00 0.00 60.65 58.94 1ixd s ILE 39 Cb -0.14 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.22 1ixd s ILE 39 CO 0.04 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.29 1ixd n GLY 40 N 4.54 1.65 2.92 6.18 0.00 -1.18 -4.93 105.19 114.37 1ixd n GLY 40 Ca -0.07 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.40 1.63 0.92 1.61 -0.21 -1.26 -1.38 119.66 119.56 1ixd s GLN 41 Ca 0.00 -0.62 -0.11 0.00 0.02 0.00 0.00 55.36 54.64 1ixd s GLN 41 Cb 0.00 -2.14 0.11 0.00 1.00 0.00 0.00 33.01 31.97 1ixd s GLN 41 CO 0.00 -0.43 0.91 -2.30 -2.12 0.00 0.00 175.29 171.35 1ixd n PRO 42 N 4.81 -0.35 -2.15 2.91 -0.02 -1.26 -4.84 135.00 134.10 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 2.76 0.00 0.52 0.04 -1.26 -3.35 135.00 129.46 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 0.60 -3.28 0.00 0.41 0.04 0.00 0.00 177.00 174.77 1ixd n GLY 44 N 6.57 1.41 3.05 0.56 0.00 -1.26 -5.10 105.19 110.43 1ixd n GLY 44 Ca 0.41 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 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 2.97 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.24 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 -1.45 0.00 0.00 -0.56 0.00 0.00 46.19 44.18 1ixd s LEU 45 CO 0.00 -0.16 1.54 0.21 -1.06 0.00 0.00 176.35 176.88 1ixd s ASN 46 N 1.21 6.09 -0.30 1.48 3.84 -1.26 -4.07 114.94 121.92 1ixd s ASN 46 Ca -0.05 0.76 -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 -1.65 0.88 -1.83 -2.79 0.00 0.00 177.10 171.65 1ixd s GLU 47 N 5.42 0.39 -0.62 0.43 -1.05 -1.26 -5.09 118.70 116.93 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 -0.06 0.00 -0.44 0.00 0.00 34.13 34.02 1ixd s GLU 47 CO 0.30 -0.13 2.17 0.08 0.95 0.00 0.00 175.26 178.64 1ixd s VAL 48 N 2.48 3.17 -0.29 1.83 1.01 -1.26 -4.20 120.40 123.14 1ixd s VAL 48 Ca -0.04 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1ixd s VAL 48 Cb -0.08 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 1ixd s VAL 48 CO -0.18 -0.42 0.10 -0.76 0.00 0.00 0.00 175.10 173.85 1ixd s LEU 49 N 11.28 3.87 -0.35 3.92 1.43 -0.48 0.77 118.68 139.13 1ixd s LEU 49 Ca 0.84 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 53.17 1ixd s LEU 49 Cb -0.14 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1ixd s LEU 49 CO 0.19 -0.17 0.58 0.00 0.23 0.00 0.00 176.35 177.18 1ixd s ALA 50 N 1.55 3.47 -0.38 4.21 0.00 0.61 -3.09 121.76 128.14 1ixd s ALA 50 Ca 0.04 -0.91 -0.28 0.00 0.00 0.00 0.00 51.96 50.81 1ixd s ALA 50 Cb -0.17 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1ixd s ALA 50 CO 0.04 -1.27 1.84 0.20 0.00 0.00 0.00 175.76 176.57 1ixd s GLY 51 N 1.77 0.64 -0.12 0.00 0.00 0.23 -3.25 107.32 106.58 1ixd s GLY 51 Ca 0.22 0.11 -0.14 0.00 0.00 0.00 0.00 44.72 44.91 1ixd s GLY 51 CO 0.14 3.34 0.32 1.08 0.00 0.00 0.00 173.10 177.98 1ixd s LEU 52 N 7.49 4.31 -0.46 0.66 1.43 0.18 0.11 118.68 132.39 1ixd s LEU 52 Ca 0.79 0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 54.37 1ixd s LEU 52 Cb -0.21 -2.42 0.07 0.00 0.03 0.00 0.00 46.19 43.66 1ixd s LEU 52 CO 0.31 0.16 0.36 -0.70 0.23 0.00 0.00 176.35 176.71 1ixd s GLU 53 N 0.05 2.90 0.23 1.70 2.12 -0.35 0.63 118.70 125.97 1ixd s GLU 53 Ca 0.19 -1.36 -0.30 0.00 0.36 0.00 0.00 54.97 53.85 1ixd s GLU 53 Cb -0.14 -4.05 -0.10 0.00 0.26 0.00 0.00 34.13 30.11 1ixd s GLU 53 CO 0.06 -1.00 1.43 -0.51 -0.54 0.00 0.00 175.26 174.70 1ixd s LEU 54 N 1.59 4.39 0.42 2.70 1.43 -1.11 -2.87 118.68 125.23 1ixd s LEU 54 Ca 0.04 2.61 0.12 0.00 -1.03 0.00 0.00 54.13 55.88 1ixd s LEU 54 Cb -0.24 -3.62 0.89 0.00 0.03 0.00 0.00 46.19 43.25 1ixd s LEU 54 CO 0.06 -0.69 1.94 -0.33 0.23 0.00 0.00 176.35 177.57 1ixd h GLU 55 N 5.29 0.09 -5.93 1.70 4.39 -1.89 -3.43 114.58 114.80 1ixd h GLU 55 Ca -0.45 -0.02 -0.61 0.00 0.34 0.00 0.00 59.36 58.61 1ixd h GLU 55 Cb 1.22 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.81 1ixd h GLU 55 CO 0.79 0.28 -0.49 0.34 -1.16 0.00 0.00 179.01 178.77 1ixd s ASP 56 N -6.95 6.37 -0.50 1.42 -1.08 -1.26 -5.06 116.67 109.61 1ixd s ASP 56 Ca -0.04 0.29 -0.24 0.00 -0.52 0.00 0.00 52.55 52.03 1ixd s ASP 56 Cb 0.15 -1.97 0.03 0.00 -1.46 0.00 0.00 42.92 39.68 1ixd s ASP 56 CO 0.71 0.16 0.89 -1.61 0.52 0.00 0.00 175.17 175.85 1ixd s GLU 57 N -2.54 3.40 -0.05 4.34 2.02 -1.26 -4.69 118.70 119.91 1ixd s GLU 57 Ca 0.35 -0.12 -0.00 0.00 0.02 0.00 0.00 54.97 55.22 1ixd s GLU 57 Cb -0.13 -3.99 -0.03 0.00 0.10 0.00 0.00 34.13 30.08 1ixd s GLU 57 CO 0.28 -1.32 -0.02 0.00 0.02 0.00 0.00 175.26 174.22 1ixd s ALA 59 N -0.93 3.16 0.00 0.00 0.00 -1.26 -2.97 121.76 119.77 1ixd s ALA 59 Ca 0.15 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1ixd s ALA 59 Cb -0.11 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.11 1ixd s ALA 59 CO 0.04 -2.14 0.00 0.41 0.00 0.00 0.00 175.76 174.07 1ixd n GLY 60 N 4.86 1.19 3.80 0.00 0.00 -1.26 -5.13 105.19 108.66 1ixd n GLY 60 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.33 0.00 -1.35 0.00 -2.24 -1.13 -3.98 114.28 102.26 1ixd n THR 62 Ca 0.07 -1.40 -0.25 0.00 -2.27 0.00 0.00 64.05 60.20 1ixd n THR 62 Cb 0.55 -0.56 0.14 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.40 5.08 -0.06 3.42 5.68 -1.26 -2.09 116.55 124.92 1ixd n ASP 63 Ca 0.09 -3.71 0.00 0.00 -0.50 0.00 0.00 54.79 50.67 1ixd n ASP 63 Cb 0.43 -0.83 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 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 -1.03 0.91 2.87 6.12 0.00 -1.26 -3.48 105.19 109.31 1ixd n GLY 64 Ca 0.56 -0.07 -0.16 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 -1.96 -0.28 -0.65 2.61 -4.23 -1.26 -3.26 115.64 106.60 1ixd s THR 65 Ca 0.00 0.34 -0.20 0.00 -1.18 0.00 0.00 61.69 60.65 1ixd s THR 65 Cb 0.00 -0.32 0.10 0.00 1.34 0.00 0.00 72.50 73.62 1ixd s THR 65 CO 0.00 0.14 0.83 0.12 -0.54 0.00 0.00 174.62 175.17 1ixd s PHE 66 N 2.30 2.92 -1.81 3.99 5.36 -0.76 -4.25 117.98 125.74 1ixd s PHE 66 Ca 0.03 -0.89 0.00 0.00 -0.96 0.00 0.00 56.93 55.11 1ixd s PHE 66 Cb -0.12 -4.13 0.00 0.00 -0.34 0.00 0.00 43.02 38.43 1ixd s PHE 66 CO -0.06 -1.43 0.00 0.54 -1.46 0.00 0.00 175.22 172.81 1ixd n ARG 67 N 6.75 -1.68 0.00 10.12 1.74 -1.26 -1.33 116.66 131.00 1ixd n ARG 67 Ca -0.04 1.02 0.00 0.00 -0.77 0.00 0.00 57.85 58.06 1ixd n ARG 67 Cb 0.44 -5.67 0.00 0.00 -1.02 0.00 0.00 32.46 26.21 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 -0.96 2.84 3.56 -0.13 0.00 -1.26 -5.02 105.19 104.21 1ixd n GLY 68 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.67 3.72 0.08 2.61 2.01 -0.44 -4.97 115.64 115.97 1ixd s THR 69 Ca 0.00 -0.20 -0.31 0.00 0.31 0.00 0.00 61.69 61.49 1ixd s THR 69 Cb 0.00 -4.74 -0.07 0.00 0.01 0.00 0.00 72.50 67.70 1ixd s THR 69 CO 0.00 -1.66 1.39 -0.60 -0.69 0.00 0.00 174.62 173.06 1ixd s ARG 70 N 5.75 4.31 -0.06 4.92 3.52 -1.26 -1.82 118.95 134.31 1ixd s ARG 70 Ca 0.48 2.03 -0.00 0.00 -0.13 0.00 0.00 55.73 58.11 1ixd s ARG 70 Cb -0.05 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 1ixd s ARG 70 CO 0.03 -0.47 -0.06 0.66 -0.81 0.00 0.00 175.30 174.65 1ixd n TYR 71 N 4.42 0.00 -4.30 5.12 4.01 -1.20 -4.99 117.16 120.22 1ixd n TYR 71 Ca 0.12 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.66 1ixd n TYR 71 Cb 0.43 -0.22 -0.07 0.00 -0.31 0.00 0.00 39.34 39.16 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 -2.80 -0.67 -4.01 -0.72 -1.74 -1.25 -4.99 117.46 101.27 1ixd n PHE 72 Ca -0.11 -2.69 -0.32 0.00 -0.56 0.00 0.00 57.45 53.77 1ixd n PHE 72 Cb 0.60 0.25 -0.15 0.00 1.52 0.00 0.00 39.48 41.71 1ixd n PHE 72 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1ixd s THR 73 N -3.28 2.38 0.36 1.97 -4.23 -1.26 -4.66 115.64 106.93 1ixd s THR 73 Ca 0.37 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 1ixd s THR 73 Cb 0.02 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.24 1ixd s THR 73 CO 0.26 -0.32 0.07 0.00 -0.54 0.00 0.00 174.62 174.09 1ixd n ALA 75 N -0.80 -4.79 -2.26 0.00 0.00 -1.26 -4.59 120.51 106.82 1ixd n ALA 75 Ca -0.05 -1.82 -0.39 0.00 0.00 0.00 0.00 53.44 51.18 1ixd n ALA 75 Cb 0.66 -1.67 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 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 -7.77 4.51 -1.27 0.00 1.43 -1.26 -3.97 118.68 110.35 1ixd s LEU 76 Ca 0.68 1.38 -0.08 0.00 -1.03 0.00 0.00 54.13 55.07 1ixd s LEU 76 Cb -0.15 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.01 1ixd s LEU 76 CO 0.58 0.18 1.11 0.29 0.23 0.00 0.00 176.35 178.74 1ixd n LYS 77 N 2.08 -7.49 -2.20 1.70 4.76 -1.10 -4.85 118.16 111.06 1ixd n LYS 77 Ca -0.07 0.78 -0.00 0.00 -2.87 0.00 0.00 58.31 56.14 1ixd n LYS 77 Cb 0.50 -5.67 0.04 0.00 -1.84 0.00 0.00 35.03 28.06 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 -4.73 0.96 -3.57 1.97 5.02 -0.99 -2.07 118.16 114.76 1ixd n LYS 78 Ca 0.01 -2.27 -0.29 0.00 -2.02 0.00 0.00 58.31 53.73 1ixd n LYS 78 Cb 0.56 -0.46 -0.15 0.00 -0.02 0.00 0.00 35.03 34.96 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 -1.45 0.80 -0.18 7.82 0.00 -0.89 -2.76 121.76 125.11 1ixd s ALA 79 Ca 0.21 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 1ixd s ALA 79 Cb 0.32 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 1ixd s ALA 79 CO -0.09 -1.69 -0.09 -1.17 0.00 0.00 0.00 175.76 172.73 1ixd s LEU 80 N 1.94 2.81 -0.14 0.00 2.96 0.20 -2.81 118.68 123.64 1ixd s LEU 80 Ca 0.10 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.53 1ixd s LEU 80 Cb -0.17 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 1ixd s LEU 80 CO -0.32 0.07 0.26 -0.36 -1.32 0.00 0.00 176.35 174.67 1ixd s PHE 81 N 0.92 3.50 0.19 5.38 0.40 -1.26 0.47 117.98 127.58 1ixd s PHE 81 Ca -0.02 0.59 -0.08 0.00 -0.60 0.00 0.00 56.93 56.82 1ixd s PHE 81 Cb -0.15 -2.25 -0.01 0.00 0.51 0.00 0.00 43.02 41.12 1ixd s PHE 81 CO 0.00 0.37 0.29 0.14 0.70 0.00 0.00 175.22 176.71 1ixd s VAL 82 N 0.05 0.04 0.04 -0.44 -7.23 -1.20 -4.97 120.40 106.70 1ixd s VAL 82 Ca 0.16 -1.52 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 1ixd s VAL 82 Cb -0.13 -2.03 -0.07 0.00 0.56 0.00 0.00 36.38 34.70 1ixd s VAL 82 CO 0.04 -0.20 1.59 -0.54 -0.31 0.00 0.00 175.10 175.68 1ixd s LYS 83 N -4.01 4.22 0.50 4.82 1.02 -1.26 -0.28 119.74 124.74 1ixd s LYS 83 Ca 0.22 2.23 0.15 0.00 0.02 0.00 0.00 55.97 58.59 1ixd s LYS 83 Cb 0.03 -3.63 1.21 0.00 -0.52 0.00 0.00 37.83 34.92 1ixd s LYS 83 CO 0.04 -0.71 2.13 1.25 -0.92 0.00 0.00 175.35 177.14 1ixd h LEU 84 N 8.67 0.07 -1.89 3.17 5.85 0.03 -0.81 115.31 130.40 1ixd h LEU 84 Ca -0.41 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1ixd h LEU 84 Cb 1.19 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1ixd h LEU 84 CO 0.93 0.05 -0.13 0.07 -0.34 0.00 0.00 178.44 179.02 1ixd h LYS 85 N 0.08 0.00 -1.02 1.25 2.10 -1.90 -2.05 116.57 115.04 1ixd h LYS 85 Ca 0.03 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 58.22 1ixd h LYS 85 Cb 0.02 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 31.08 1ixd h LYS 85 CO -0.01 0.13 0.59 0.43 -2.00 0.00 0.00 179.45 178.59 1ixd n SER 86 N -3.85 4.09 -4.51 7.07 7.64 -0.31 -4.93 113.62 118.83 1ixd n SER 86 Ca -0.02 -3.41 -0.28 0.00 1.01 0.00 0.00 58.87 56.17 1ixd n SER 86 Cb 0.23 -0.82 -0.11 0.00 -1.01 0.00 0.00 64.21 62.50 1ixd n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ixd s ARG 88 N -2.50 0.76 -0.20 0.00 0.52 -0.73 -4.93 118.95 111.87 1ixd s ARG 88 Ca 0.21 -0.62 -0.35 0.00 -0.52 0.00 0.00 55.73 54.45 1ixd s ARG 88 Cb -0.09 -0.71 -0.12 0.00 0.52 0.00 0.00 34.95 34.55 1ixd s ARG 88 CO 0.12 0.17 1.96 -2.30 0.02 0.00 0.00 175.30 175.28 1ixd n PRO 89 N 2.08 1.73 -3.56 3.54 -0.02 -1.26 -1.28 135.00 136.22 1ixd n PRO 89 Ca -0.18 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.49 1ixd n PRO 89 Cb 0.55 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 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 5.11 5.84 -0.28 2.55 2.15 -0.05 -4.80 116.67 127.18 1ixd s ASP 90 Ca 0.98 -0.90 0.10 0.00 0.43 0.00 0.00 52.55 53.16 1ixd s ASP 90 Cb -0.77 -2.07 0.53 0.00 -0.30 0.00 0.00 42.92 40.32 1ixd s ASP 90 CO 0.52 -0.38 1.50 -0.24 -0.17 0.00 0.00 175.17 176.40 1ixd n SER 91 N 5.05 2.93 0.21 -0.34 2.88 -1.26 -4.26 113.62 118.83 1ixd n SER 91 Ca -0.12 -3.58 0.04 0.00 -1.33 0.00 0.00 58.87 53.88 1ixd n SER 91 Cb 0.47 -0.63 0.44 0.00 -0.75 0.00 0.00 64.21 63.74 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 1.20 0.00 -0.15 -1.46 -0.00 -1.96 -2.76 114.38 109.25 1ixd h ARG 92 Ca 0.21 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.61 1ixd h ARG 92 Cb 1.73 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.65 1ixd h ARG 92 CO 0.42 0.26 -0.33 1.19 0.00 0.00 0.00 179.97 181.51 1ixd n PHE 93 N -4.23 0.47 -1.68 3.04 3.01 -1.26 -5.04 117.46 111.78 1ixd n PHE 93 Ca -0.02 -1.56 -0.45 0.00 1.01 0.00 0.00 57.45 56.43 1ixd n PHE 93 Cb 0.31 -0.35 -0.04 0.00 -0.01 0.00 0.00 39.48 39.39 1ixd n PHE 93 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ixd n ALA 94 N -1.12 1.45 -1.48 4.37 0.00 -1.04 -4.94 120.51 117.74 1ixd n ALA 94 Ca 0.25 0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.63 1ixd n ALA 94 Cb 0.84 -2.57 0.07 0.00 0.00 0.00 0.00 19.45 17.78 1ixd n ALA 94 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ixd s SER 95 N 3.66 4.70 -0.21 0.00 0.01 -1.26 -4.52 113.70 116.08 1ixd s SER 95 Ca 0.88 2.23 -0.10 0.00 1.31 0.00 0.00 55.95 60.28 1ixd s SER 95 Cb -0.56 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.13 1ixd s SER 95 CO 0.44 -1.91 0.19 -0.11 0.41 0.00 0.00 173.24 172.26 1ixd n LEU 96 N -2.40 -6.48 -2.80 2.44 0.00 -1.26 -5.03 117.00 101.48 1ixd n LEU 96 Ca 0.12 2.07 -0.10 0.00 0.00 0.00 0.00 56.01 58.10 1ixd n LEU 96 Cb 0.51 -3.26 0.06 0.00 0.00 0.00 0.00 43.42 40.73 1ixd n LEU 96 CO 0.47 -3.79 0.13 1.67 0.00 0.00 0.00 177.39 175.88 1ixd n GLN 97 N 1.44 1.10 0.00 1.96 7.27 -1.26 -5.14 117.38 122.74 1ixd n GLN 97 Ca -0.32 -2.59 0.00 0.00 0.07 0.00 0.00 57.00 54.16 1ixd n GLN 97 Cb 0.50 -0.95 0.00 0.00 2.41 0.00 0.00 30.24 32.20 1ixd n GLN 97 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1ixd n PRO 98 N -0.05 -0.56 -3.64 3.69 -0.04 -1.26 -5.11 135.00 128.04 1ixd n PRO 98 Ca 0.08 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 1ixd n PRO 98 Cb 0.77 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.16 1ixd n PRO 98 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ixd s SER 99 N -1.41 -0.66 -0.40 3.54 0.01 -1.26 -5.13 113.70 108.38 1ixd s SER 99 Ca 0.00 1.19 0.06 0.00 1.31 0.00 0.00 55.95 58.50 1ixd s SER 99 Cb 0.00 1.23 0.18 0.00 0.21 0.00 0.00 66.02 67.64 1ixd s SER 99 CO 0.00 -0.20 0.69 -0.83 0.41 0.00 0.00 173.24 173.31 1ixd s GLY 100 N 0.76 -1.31 0.11 3.44 0.00 -1.26 -5.03 107.32 104.03 1ixd s GLY 100 Ca -0.03 0.33 -0.14 0.00 0.00 0.00 0.00 44.72 44.89 1ixd s GLY 100 CO -0.08 3.75 1.42 -0.56 0.00 0.00 0.00 173.10 177.63 1ixd h PRO 101 N 6.73 0.76 -3.52 2.90 0.13 -2.08 -3.50 132.00 133.42 1ixd h PRO 101 Ca 0.04 -0.42 0.22 0.00 -0.87 0.00 0.00 66.00 64.97 1ixd h PRO 101 Cb 1.18 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 1ixd h PRO 101 CO 0.07 1.04 -1.15 0.43 -0.23 0.00 0.00 178.00 178.17 1ixd n SER 102 N -4.20 -7.89 -4.42 1.44 7.64 -1.26 -4.87 113.62 100.06 1ixd n SER 102 Ca -0.04 1.59 -0.35 0.00 1.01 0.00 0.00 58.87 61.08 1ixd n SER 102 Cb 0.51 -4.90 -0.13 0.00 -1.01 0.00 0.00 64.21 58.68 1ixd n SER 102 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ixd s SER 103 N -6.52 4.81 0.00 6.43 1.04 -1.26 -5.34 113.70 112.85 1ixd s SER 103 Ca 0.00 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1ixd s SER 103 Cb 0.00 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.29 1ixd s SER 103 CO 0.00 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.86