#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 6.30 -0.87 1.61 0.01 -1.26 -4.95 113.70 114.55 1ixd s SER 2 Ca 0.00 -0.87 -0.25 0.00 1.31 0.00 0.00 55.95 56.14 1ixd s SER 2 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1ixd s SER 2 CO 0.00 -1.70 1.67 -0.94 0.41 0.00 0.00 173.24 172.68 1ixd s SER 3 N 4.23 5.77 -1.00 2.44 1.04 -1.26 -4.90 113.70 120.03 1ixd s SER 3 Ca 0.39 -0.73 -0.03 0.00 0.48 0.00 0.00 55.95 56.06 1ixd s SER 3 Cb -0.05 -2.56 0.28 0.00 0.10 0.00 0.00 66.02 63.79 1ixd s SER 3 CO 0.05 -2.14 1.17 0.61 0.98 0.00 0.00 173.24 173.91 1ixd n GLY 4 N 6.44 4.71 3.59 7.32 0.00 -1.26 -5.01 105.19 120.98 1ixd n GLY 4 Ca 0.29 -2.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.24 1ixd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ixd s SER 5 N -0.87 5.95 -0.09 1.61 0.01 -1.26 -4.96 113.70 114.09 1ixd s SER 5 Ca 0.32 0.81 -0.30 0.00 1.31 0.00 0.00 55.95 58.09 1ixd s SER 5 Cb 0.01 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 1ixd s SER 5 CO 0.00 -1.75 1.29 -0.44 0.41 0.00 0.00 173.24 172.75 1ixd s SER 6 N 5.51 6.95 0.91 2.44 0.01 -1.26 -5.02 113.70 123.25 1ixd s SER 6 Ca 0.67 1.83 -0.15 0.00 1.31 0.00 0.00 55.95 59.62 1ixd s SER 6 Cb -0.16 -2.55 0.16 0.00 0.21 0.00 0.00 66.02 63.68 1ixd s SER 6 CO 0.29 -0.70 1.28 -0.83 0.41 0.00 0.00 173.24 173.69 1ixd s GLY 7 N 1.87 1.72 0.38 3.44 0.00 -1.26 -5.11 107.32 108.36 1ixd s GLY 7 Ca 0.58 -1.02 0.04 0.00 0.00 0.00 0.00 44.72 44.31 1ixd s GLY 7 CO 0.20 -0.34 0.14 1.04 0.00 0.00 0.00 173.10 174.13 1ixd n LEU 8 N -3.63 0.00 -3.19 0.66 4.77 -1.26 -5.15 117.00 109.20 1ixd n LEU 8 Ca 0.13 -2.93 0.01 0.00 -0.03 0.00 0.00 56.01 53.18 1ixd n LEU 8 Cb 0.60 0.97 -0.02 0.00 -2.33 0.00 0.00 43.42 42.64 1ixd n LEU 8 CO 0.49 -0.45 0.07 0.00 -1.33 0.00 0.00 177.39 176.18 1ixd s ALA 9 N -3.04 -2.05 -0.36 -1.18 0.00 -1.26 -5.06 121.76 108.81 1ixd s ALA 9 Ca 0.19 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1ixd s ALA 9 Cb 0.01 -2.29 0.28 0.00 0.00 0.00 0.00 23.12 21.12 1ixd s ALA 9 CO 0.14 -1.63 1.20 0.00 0.00 0.00 0.00 175.76 175.46 1ixd n MET 10 N 5.41 0.27 -0.11 0.00 0.00 -1.26 -4.87 117.12 116.55 1ixd n MET 10 Ca 0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 57.70 56.75 1ixd n MET 10 Cb 0.52 -0.45 0.02 0.00 0.00 0.00 0.00 33.22 33.31 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 3.15 0.31 0.15 3.17 0.11 -1.97 -3.06 132.00 133.86 1ixd h PRO 11 Ca -0.23 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.58 1ixd h PRO 11 Cb 1.18 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1ixd h PRO 11 CO -0.07 0.21 -1.29 -1.00 -0.21 0.00 0.00 178.00 175.63 1ixd h PRO 12 N 0.32 0.31 0.00 1.05 0.13 -1.98 -3.50 132.00 128.33 1ixd h PRO 12 Ca 0.17 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1ixd h PRO 12 Cb 0.12 0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1ixd h PRO 12 CO -0.15 1.25 0.00 0.41 -0.23 0.00 0.00 178.00 179.28 1ixd n GLY 13 N 1.57 1.01 1.45 1.56 0.00 -1.16 -5.16 105.19 104.45 1ixd n GLY 13 Ca -0.10 -1.98 0.20 0.00 0.00 0.00 0.00 46.02 44.13 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 2.71 -8.57 0.05 1.61 3.02 -1.26 -4.64 115.26 108.18 1ixd n ASN 14 Ca 0.00 0.57 -0.03 0.00 -0.03 0.00 0.00 54.58 55.09 1ixd n ASN 14 Cb 0.00 -4.36 -0.01 0.00 -0.61 0.00 0.00 39.78 34.79 1ixd n ASN 14 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1ixd h SER 15 N -1.34 -0.15 0.00 6.41 0.87 -1.98 -3.45 113.55 113.91 1ixd h SER 15 Ca 0.03 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1ixd h SER 15 Cb 1.32 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1ixd h SER 15 CO 0.01 0.09 -0.42 1.41 -0.53 0.00 0.00 176.83 177.39 1ixd n HIS 16 N -3.60 0.00 0.00 2.24 8.25 -1.26 -4.78 115.22 116.07 1ixd n HIS 16 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1ixd n HIS 16 Cb 0.07 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 30.97 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 2.61 -1.81 3.52 -1.41 0.00 -1.26 -5.01 105.19 101.84 1ixd n GLY 17 Ca -0.06 0.81 -0.42 0.00 0.00 0.00 0.00 46.02 46.36 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 3.56 0.32 0.99 1.43 -1.26 -4.92 118.68 118.80 1ixd s LEU 18 Ca 0.00 -0.72 0.06 0.00 -1.03 0.00 0.00 54.13 52.45 1ixd s LEU 18 Cb 0.00 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 1ixd s LEU 18 CO 0.00 -1.69 0.26 -1.83 0.23 0.00 0.00 176.35 173.32 1ixd s GLU 19 N 5.16 1.72 0.21 1.70 -1.05 -1.26 -5.05 118.70 120.12 1ixd s GLU 19 Ca 0.33 -1.99 -0.31 0.00 -0.15 0.00 0.00 54.97 52.84 1ixd s GLU 19 Cb -0.10 0.28 -0.11 0.00 -0.44 0.00 0.00 34.13 33.77 1ixd s GLU 19 CO 0.11 -0.62 1.59 0.08 0.95 0.00 0.00 175.26 177.37 1ixd s VAL 20 N -3.50 2.39 0.00 1.83 1.01 -1.26 -2.37 120.40 118.50 1ixd s VAL 20 Ca 0.40 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1ixd s VAL 20 Cb 0.03 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1ixd s VAL 20 CO 0.26 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1ixd n GLY 21 N 3.35 2.65 3.86 4.51 0.00 -0.76 -4.99 105.19 113.80 1ixd n GLY 21 Ca 0.12 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 0.56 6.68 0.43 1.61 0.01 -1.00 -4.77 113.70 117.22 1ixd s SER 22 Ca 0.00 1.23 -0.20 0.00 1.31 0.00 0.00 55.95 58.29 1ixd s SER 22 Cb 0.00 -2.36 -0.11 0.00 0.21 0.00 0.00 66.02 63.77 1ixd s SER 22 CO 0.00 -0.28 0.94 -0.76 0.41 0.00 0.00 173.24 173.55 1ixd s LEU 23 N -3.32 3.91 0.07 2.44 1.43 -1.26 -1.06 118.68 120.88 1ixd s LEU 23 Ca 0.53 1.66 -0.17 0.00 -1.03 0.00 0.00 54.13 55.11 1ixd s LEU 23 Cb -0.10 -4.51 0.04 0.00 0.03 0.00 0.00 46.19 41.64 1ixd s LEU 23 CO 0.23 -0.38 0.41 0.00 0.23 0.00 0.00 176.35 176.84 1ixd s ALA 24 N -2.22 -0.98 0.09 4.21 0.00 -0.88 -2.95 121.76 119.03 1ixd s ALA 24 Ca 0.61 0.20 0.08 0.00 0.00 0.00 0.00 51.96 52.86 1ixd s ALA 24 Cb -0.09 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 1ixd s ALA 24 CO 0.15 -0.51 -0.22 -2.00 0.00 0.00 0.00 175.76 173.18 1ixd s GLU 25 N -2.85 1.29 0.23 0.00 2.12 0.18 -3.60 118.70 116.07 1ixd s GLU 25 Ca -0.03 -1.12 0.09 0.00 0.36 0.00 0.00 54.97 54.27 1ixd s GLU 25 Cb -0.00 -1.54 -0.04 0.00 0.26 0.00 0.00 34.13 32.80 1ixd s GLU 25 CO -0.05 0.37 -0.02 0.08 -0.54 0.00 0.00 175.26 175.10 1ixd s VAL 26 N -1.01 3.44 -0.56 3.70 1.01 -1.26 -0.76 120.40 124.95 1ixd s VAL 26 Ca 0.08 -1.78 -0.01 0.00 0.00 0.00 0.00 61.98 60.27 1ixd s VAL 26 Cb -0.10 -2.79 0.40 0.00 0.00 0.00 0.00 36.38 33.89 1ixd s VAL 26 CO 0.04 -0.27 2.02 1.17 0.00 0.00 0.00 175.10 178.05 1ixd n LYS 27 N -0.57 2.43 -1.56 2.72 4.81 -1.25 -4.87 118.16 119.88 1ixd n LYS 27 Ca -0.08 -2.81 -0.24 0.00 -0.87 0.00 0.00 58.31 54.31 1ixd n LYS 27 Cb 0.58 -2.10 0.17 0.00 0.02 0.00 0.00 35.03 33.69 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 -0.60 -1.05 0.33 1.64 2.13 -1.26 -5.02 120.64 116.82 1ixd n GLU 28 Ca 0.54 -1.68 -0.15 0.00 0.66 0.00 0.00 57.16 56.53 1ixd n GLU 28 Cb 0.69 -1.11 -0.08 0.00 0.27 0.00 0.00 31.44 31.22 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 -1.42 -0.73 -3.37 4.31 2.35 -2.05 -3.41 115.58 111.26 1ixd h ASN 29 Ca -0.35 -0.01 -0.56 0.00 -0.55 0.00 0.00 56.30 54.82 1ixd h ASN 29 Cb 0.97 0.19 -0.06 0.00 0.05 0.00 0.00 38.32 39.47 1ixd h ASN 29 CO 0.25 -0.37 1.04 -2.16 -1.65 0.00 0.00 177.43 174.53 1ixd s PRO 30 N -4.88 3.59 -0.74 0.81 0.04 -1.26 -4.95 135.00 127.60 1ixd s PRO 30 Ca -0.15 0.79 -0.26 0.00 0.04 0.00 0.00 61.00 61.43 1ixd s PRO 30 Cb 0.02 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 1ixd s PRO 30 CO 0.48 -1.55 1.98 -1.25 0.04 0.00 0.00 177.00 176.70 1ixd s PRO 31 N 4.86 2.48 0.42 0.56 0.04 -1.26 -4.93 135.00 137.16 1ixd s PRO 31 Ca 0.57 0.26 0.05 0.00 0.04 0.00 0.00 61.00 61.92 1ixd s PRO 31 Cb -0.12 -4.73 -0.05 0.00 0.04 0.00 0.00 34.50 29.64 1ixd s PRO 31 CO 0.32 -3.19 0.03 -0.59 0.04 0.00 0.00 177.00 173.61 1ixd s PHE 32 N 10.19 2.18 -0.10 0.56 -0.12 -1.26 -5.15 117.98 124.29 1ixd s PHE 32 Ca 0.73 -0.85 -0.00 0.00 -0.05 0.00 0.00 56.93 56.75 1ixd s PHE 32 Cb -0.10 -1.60 0.02 0.00 -0.63 0.00 0.00 43.02 40.72 1ixd s PHE 32 CO 0.11 0.25 -0.06 0.71 -0.05 0.00 0.00 175.22 176.18 1ixd s TYR 33 N -2.90 1.22 0.16 3.49 2.02 -1.26 -4.64 117.35 115.44 1ixd s TYR 33 Ca 0.26 -0.54 -0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1ixd s TYR 33 Cb 0.07 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 1ixd s TYR 33 CO 0.13 -0.43 0.07 0.20 -1.57 0.00 0.00 175.55 173.95 1ixd s GLY 34 N 1.67 1.19 0.04 0.71 0.00 -1.24 -3.55 107.32 106.15 1ixd s GLY 34 Ca 0.03 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.20 1ixd s GLY 34 CO -0.06 -1.42 0.01 0.54 0.00 0.00 0.00 173.10 172.17 1ixd s VAL 35 N -3.98 4.16 0.34 1.40 0.11 -1.17 -2.07 120.40 119.20 1ixd s VAL 35 Ca 0.28 -0.76 -0.29 0.00 -2.93 0.00 0.00 61.98 58.28 1ixd s VAL 35 Cb 0.07 -2.93 -0.11 0.00 -1.53 0.00 0.00 36.38 31.89 1ixd s VAL 35 CO 0.05 0.25 1.38 -0.63 -3.33 0.00 0.00 175.10 172.82 1ixd s ILE 36 N -1.21 2.49 0.15 7.04 1.01 -0.23 -1.59 121.20 128.85 1ixd s ILE 36 Ca 0.23 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.36 1ixd s ILE 36 Cb -0.12 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1ixd s ILE 36 CO 0.15 0.11 0.00 0.54 0.00 0.00 0.00 174.94 175.74 1ixd n ARG 37 N 0.88 0.00 -4.72 2.79 5.12 0.30 -1.84 116.66 119.19 1ixd n ARG 37 Ca 0.01 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.68 1ixd n ARG 37 Cb 0.41 -0.39 -0.16 0.00 -1.16 0.00 0.00 32.46 31.16 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 -2.00 1.57 -0.27 -1.55 -0.00 -1.25 -4.76 118.94 110.68 1ixd s TRP 38 Ca 0.00 -0.49 0.01 0.00 -0.00 0.00 0.00 56.10 55.62 1ixd s TRP 38 Cb 0.00 -1.09 0.08 0.00 -0.00 0.00 0.00 33.47 32.46 1ixd s TRP 38 CO 0.00 -0.20 -0.01 0.42 -0.00 0.00 0.00 176.95 177.17 1ixd s ILE 39 N 0.24 1.64 0.00 5.86 1.01 -1.26 0.74 121.20 129.42 1ixd s ILE 39 Ca -0.07 -1.55 0.00 0.00 0.00 0.00 0.00 60.65 59.03 1ixd s ILE 39 Cb -0.12 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1ixd s ILE 39 CO 0.03 -0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.26 1ixd n GLY 40 N 4.59 1.58 2.89 6.18 0.00 -1.17 -4.93 105.19 114.32 1ixd n GLY 40 Ca -0.07 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 1ixd n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ixd s GLN 41 N -1.74 1.44 0.92 1.61 -0.21 -1.26 -1.40 119.66 119.02 1ixd s GLN 41 Ca 0.00 -0.50 -0.11 0.00 0.02 0.00 0.00 55.36 54.77 1ixd s GLN 41 Cb 0.00 -1.98 0.11 0.00 1.00 0.00 0.00 33.01 32.13 1ixd s GLN 41 CO 0.00 -0.42 0.90 -2.30 -2.12 0.00 0.00 175.29 171.35 1ixd n PRO 42 N 4.88 -0.36 -2.17 2.91 -0.02 -1.26 -4.84 135.00 134.14 1ixd n PRO 42 Ca -0.12 -0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.01 1ixd n PRO 42 Cb 0.48 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 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 -4.25 2.81 0.00 0.52 0.04 -1.26 -3.35 135.00 129.51 1ixd s PRO 43 Ca 0.64 -0.71 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1ixd s PRO 43 Cb -0.23 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.13 1ixd s PRO 43 CO 0.61 -3.23 0.00 0.41 0.04 0.00 0.00 177.00 174.82 1ixd n GLY 44 N 6.57 1.40 3.06 0.56 0.00 -1.26 -5.10 105.19 110.41 1ixd n GLY 44 Ca 0.40 -0.05 -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 2.85 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.12 1ixd s LEU 45 Ca 0.00 -1.11 -0.28 0.00 0.06 0.00 0.00 54.13 52.80 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 1.54 0.21 -1.06 0.00 0.00 176.35 176.90 1ixd s ASN 46 N 1.22 6.09 -0.30 1.48 2.47 -1.26 -4.10 114.94 120.54 1ixd s ASN 46 Ca -0.04 0.74 -0.14 0.00 0.42 0.00 0.00 52.86 53.85 1ixd s ASN 46 Cb -0.18 -2.54 0.15 0.00 -1.45 0.00 0.00 41.25 37.24 1ixd s ASN 46 CO -0.08 -1.65 0.89 -1.83 -3.72 0.00 0.00 177.10 170.71 1ixd s GLU 47 N 5.43 0.39 -0.53 0.43 -1.05 -1.26 -5.10 118.70 117.01 1ixd s GLU 47 Ca 0.63 0.94 -0.26 0.00 -0.15 0.00 0.00 54.97 56.13 1ixd s GLU 47 Cb -0.15 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 1ixd s GLU 47 CO 0.30 -0.13 2.09 0.08 0.95 0.00 0.00 175.26 178.55 1ixd s VAL 48 N 2.47 3.21 -0.28 1.83 1.01 -1.26 -4.20 120.40 123.19 1ixd s VAL 48 Ca -0.04 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 1ixd s VAL 48 Cb -0.07 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 1ixd s VAL 48 CO -0.18 -0.49 0.07 -0.76 0.00 0.00 0.00 175.10 173.74 1ixd s LEU 49 N 10.19 3.64 -0.35 3.92 1.43 -0.49 0.10 118.68 137.12 1ixd s LEU 49 Ca 0.81 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 53.18 1ixd s LEU 49 Cb -0.16 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 1ixd s LEU 49 CO 0.24 -0.13 0.57 0.00 0.23 0.00 0.00 176.35 177.26 1ixd s ALA 50 N 1.53 3.47 -0.25 4.21 0.00 0.84 -3.07 121.76 128.50 1ixd s ALA 50 Ca 0.04 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 1ixd s ALA 50 Cb -0.16 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1ixd s ALA 50 CO 0.02 -1.27 1.66 0.20 0.00 0.00 0.00 175.76 176.37 1ixd s GLY 51 N 1.77 1.12 -0.18 0.00 0.00 0.23 -3.11 107.32 107.14 1ixd s GLY 51 Ca 0.22 0.42 -0.08 0.00 0.00 0.00 0.00 44.72 45.27 1ixd s GLY 51 CO 0.14 3.07 0.10 1.08 0.00 0.00 0.00 173.10 177.49 1ixd s LEU 52 N 5.59 4.06 -0.39 0.66 1.43 0.62 0.11 118.68 130.75 1ixd s LEU 52 Ca 0.73 0.20 -0.14 0.00 -1.03 0.00 0.00 54.13 53.90 1ixd s LEU 52 Cb -0.24 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 43.97 1ixd s LEU 52 CO 0.31 0.21 0.27 -0.70 0.23 0.00 0.00 176.35 176.67 1ixd s GLU 53 N 0.14 2.95 0.40 1.70 2.12 -0.62 -0.51 118.70 124.88 1ixd s GLU 53 Ca 0.07 -1.02 -0.26 0.00 0.36 0.00 0.00 54.97 54.12 1ixd s GLU 53 Cb -0.12 -3.89 -0.09 0.00 0.26 0.00 0.00 34.13 30.30 1ixd s GLU 53 CO -0.00 -0.72 1.24 -0.51 -0.54 0.00 0.00 175.26 174.73 1ixd s LEU 54 N 1.64 4.21 0.19 2.70 1.43 -1.16 -3.02 118.68 124.67 1ixd s LEU 54 Ca 0.04 2.51 0.05 0.00 -1.03 0.00 0.00 54.13 55.71 1ixd s LEU 54 Cb -0.19 -3.95 0.07 0.00 0.03 0.00 0.00 46.19 42.15 1ixd s LEU 54 CO 0.09 -0.77 1.44 -0.33 0.23 0.00 0.00 176.35 177.01 1ixd h GLU 55 N 2.68 0.12 -5.50 1.70 4.39 -1.91 -3.44 114.58 112.61 1ixd h GLU 55 Ca -0.49 -0.12 -0.62 0.00 0.34 0.00 0.00 59.36 58.47 1ixd h GLU 55 Cb 1.24 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.83 1ixd h GLU 55 CO 0.63 0.86 -0.42 0.34 -1.16 0.00 0.00 179.01 179.25 1ixd s ASP 56 N -6.87 6.37 -0.72 1.42 2.15 -1.26 -5.03 116.67 112.74 1ixd s ASP 56 Ca -0.02 0.43 -0.26 0.00 0.43 0.00 0.00 52.55 53.13 1ixd s ASP 56 Cb 0.11 -2.12 -0.01 0.00 -0.30 0.00 0.00 42.92 40.60 1ixd s ASP 56 CO 0.81 0.24 1.73 -1.61 -0.17 0.00 0.00 175.17 176.17 1ixd s GLU 57 N -0.16 2.79 -0.19 4.34 2.02 -1.26 -4.83 118.70 121.42 1ixd s GLU 57 Ca 0.13 0.16 -0.08 0.00 0.02 0.00 0.00 54.97 55.20 1ixd s GLU 57 Cb -0.12 -4.53 -0.04 0.00 0.10 0.00 0.00 34.13 29.54 1ixd s GLU 57 CO 0.02 -2.69 0.08 0.00 0.02 0.00 0.00 175.26 172.69 1ixd s ALA 59 N 0.44 3.86 0.00 0.00 0.00 -1.26 -3.68 121.76 121.12 1ixd s ALA 59 Ca 0.04 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1ixd s ALA 59 Cb -0.12 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1ixd s ALA 59 CO 0.00 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.26 1ixd n GLY 60 N 3.46 1.92 3.05 0.00 0.00 -1.26 -5.13 105.19 107.22 1ixd n GLY 60 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 1.23 0.00 -1.47 0.00 -2.24 -1.23 -3.47 114.28 107.11 1ixd n THR 62 Ca -0.21 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 60.95 1ixd n THR 62 Cb 0.56 -1.39 0.17 0.00 -2.10 0.00 0.00 70.33 67.56 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 -3.07 3.39 0.00 3.42 5.68 -1.26 -2.44 116.55 122.27 1ixd n ASP 63 Ca 0.06 -3.76 0.00 0.00 -0.50 0.00 0.00 54.79 50.58 1ixd n ASP 63 Cb 0.21 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 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 -1.07 0.83 2.67 6.12 0.00 -1.26 -3.48 105.19 109.00 1ixd n GLY 64 Ca 0.42 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.39 -0.11 -0.25 2.61 -4.23 -1.26 -2.53 115.64 108.48 1ixd s THR 65 Ca 0.00 0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 60.83 1ixd s THR 65 Cb 0.00 -0.19 -0.01 0.00 1.34 0.00 0.00 72.50 73.64 1ixd s THR 65 CO 0.00 0.14 0.02 0.12 -0.54 0.00 0.00 174.62 174.36 1ixd s PHE 66 N 2.17 3.04 -1.67 3.99 5.36 -0.89 -4.52 117.98 125.47 1ixd s PHE 66 Ca 0.05 -0.84 -0.02 0.00 -0.96 0.00 0.00 56.93 55.16 1ixd s PHE 66 Cb -0.12 -2.17 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 1ixd s PHE 66 CO -0.04 -0.51 0.26 0.54 -1.46 0.00 0.00 175.22 174.01 1ixd n ARG 67 N 4.84 -3.02 -1.93 10.12 5.12 -1.26 -1.63 116.66 128.91 1ixd n ARG 67 Ca -0.17 0.96 -0.04 0.00 -1.93 0.00 0.00 57.85 56.67 1ixd n ARG 67 Cb 0.50 -5.69 -0.00 0.00 -1.16 0.00 0.00 32.46 26.11 1ixd n ARG 67 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ixd n GLY 68 N -1.23 0.28 2.77 -0.13 0.00 -1.26 -5.03 105.19 100.59 1ixd n GLY 68 Ca -0.19 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.20 0.89 0.16 2.61 2.01 -0.65 -5.11 115.64 113.35 1ixd s THR 69 Ca 0.00 -1.14 -0.31 0.00 0.31 0.00 0.00 61.69 60.55 1ixd s THR 69 Cb 0.00 -1.51 -0.10 0.00 0.01 0.00 0.00 72.50 70.90 1ixd s THR 69 CO 0.00 -0.45 1.58 -0.60 -0.69 0.00 0.00 174.62 174.46 1ixd s ARG 70 N 1.64 4.21 -0.08 4.92 3.52 -1.26 -2.08 118.95 129.82 1ixd s ARG 70 Ca 0.04 2.36 0.02 0.00 -0.13 0.00 0.00 55.73 58.02 1ixd s ARG 70 Cb -0.17 -3.19 -0.07 0.00 -1.56 0.00 0.00 34.95 29.96 1ixd s ARG 70 CO -0.17 -0.62 -0.05 0.66 -0.81 0.00 0.00 175.30 174.31 1ixd n TYR 71 N 4.12 0.00 -4.00 5.12 4.01 -1.05 -4.98 117.16 120.37 1ixd n TYR 71 Ca 0.14 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.78 1ixd n TYR 71 Cb 0.39 -0.34 -0.04 0.00 -0.31 0.00 0.00 39.34 39.03 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 -2.18 0.51 -0.28 -0.72 -0.71 -1.25 -4.97 117.98 108.38 1ixd s PHE 72 Ca -0.10 -0.87 -0.07 0.00 -1.04 0.00 0.00 56.93 54.85 1ixd s PHE 72 Cb 0.03 0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 42.01 1ixd s PHE 72 CO 0.23 -1.08 0.08 -0.08 -1.34 0.00 0.00 175.22 173.03 1ixd s THR 73 N -3.63 4.15 0.23 -4.49 -1.32 -1.26 -4.57 115.64 104.74 1ixd s THR 73 Ca 0.24 -0.47 -0.04 0.00 -1.21 0.00 0.00 61.69 60.21 1ixd s THR 73 Cb -0.01 -3.06 -0.03 0.00 -1.51 0.00 0.00 72.50 67.89 1ixd s THR 73 CO 0.12 0.18 0.26 0.00 -2.21 0.00 0.00 174.62 172.97 1ixd s ALA 75 N -4.00 2.12 0.45 0.00 0.00 -1.26 -4.72 121.76 114.35 1ixd s ALA 75 Ca 0.34 1.05 -0.23 0.00 0.00 0.00 0.00 51.96 53.12 1ixd s ALA 75 Cb 0.04 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 1ixd s ALA 75 CO 0.13 -1.94 1.16 -0.51 0.00 0.00 0.00 175.76 174.60 1ixd s LEU 76 N -4.99 4.03 -1.61 0.00 1.02 -1.26 -3.11 118.68 112.74 1ixd s LEU 76 Ca 0.78 2.29 -0.03 0.00 0.02 0.00 0.00 54.13 57.19 1ixd s LEU 76 Cb -0.34 -4.23 0.00 0.00 0.02 0.00 0.00 46.19 41.65 1ixd s LEU 76 CO 0.45 -0.88 0.45 0.29 0.02 0.00 0.00 176.35 176.68 1ixd n LYS 77 N -0.44 -4.05 -2.43 1.70 4.76 -1.03 -4.86 118.16 111.79 1ixd n LYS 77 Ca 0.07 0.94 -0.01 0.00 -2.87 0.00 0.00 58.31 56.44 1ixd n LYS 77 Cb 0.48 -5.74 0.06 0.00 -1.84 0.00 0.00 35.03 28.00 1ixd n LYS 77 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ixd n LYS 78 N -3.75 1.22 -3.52 1.97 5.02 -1.11 -2.76 118.16 115.23 1ixd n LYS 78 Ca -0.15 -2.26 -0.28 0.00 -2.02 0.00 0.00 58.31 53.60 1ixd n LYS 78 Cb 0.64 -0.48 -0.14 0.00 -0.02 0.00 0.00 35.03 35.02 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 -1.58 0.54 -0.16 7.82 0.00 -1.02 -3.00 121.76 124.36 1ixd s ALA 79 Ca 0.19 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1ixd s ALA 79 Cb 0.34 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 22.03 1ixd s ALA 79 CO -0.08 -1.69 -0.19 -1.17 0.00 0.00 0.00 175.76 172.62 1ixd s LEU 80 N 2.04 2.21 0.03 0.00 2.96 0.34 -3.51 118.68 122.75 1ixd s LEU 80 Ca 0.10 -0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 53.28 1ixd s LEU 80 Cb -0.16 -1.49 -0.06 0.00 0.50 0.00 0.00 46.19 44.98 1ixd s LEU 80 CO -0.33 0.05 0.42 -0.36 -1.32 0.00 0.00 176.35 174.81 1ixd s PHE 81 N 1.01 3.70 0.18 5.38 0.40 -1.26 -0.28 117.98 127.11 1ixd s PHE 81 Ca -0.02 0.97 -0.10 0.00 -0.60 0.00 0.00 56.93 57.18 1ixd s PHE 81 Cb -0.15 -2.28 -0.00 0.00 0.51 0.00 0.00 43.02 41.10 1ixd s PHE 81 CO -0.05 0.60 0.34 0.14 0.70 0.00 0.00 175.22 176.95 1ixd s VAL 82 N -1.17 0.05 -0.05 -0.44 -7.23 -1.18 -4.95 120.40 105.42 1ixd s VAL 82 Ca 0.27 -1.33 -0.30 0.00 -1.81 0.00 0.00 61.98 58.81 1ixd s VAL 82 Cb -0.16 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.83 1ixd s VAL 82 CO 0.15 -0.21 1.59 -0.54 -0.31 0.00 0.00 175.10 175.78 1ixd s LYS 83 N -3.97 4.20 0.53 4.82 1.02 -1.26 -0.11 119.74 124.97 1ixd s LYS 83 Ca 0.18 2.13 0.19 0.00 0.02 0.00 0.00 55.97 58.49 1ixd s LYS 83 Cb 0.02 -3.91 1.38 0.00 -0.52 0.00 0.00 37.83 34.80 1ixd s LYS 83 CO 0.02 -0.80 2.15 1.25 -0.92 0.00 0.00 175.35 177.05 1ixd h LEU 84 N 9.94 0.00 -1.76 3.17 5.85 0.35 -0.72 115.31 132.15 1ixd h LEU 84 Ca -0.38 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1ixd h LEU 84 Cb 1.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1ixd h LEU 84 CO 0.95 0.00 -0.16 0.07 -0.34 0.00 0.00 178.44 178.96 1ixd h LYS 85 N 0.00 0.00 -0.90 1.25 2.10 -1.90 -2.06 116.57 115.06 1ixd h LYS 85 Ca 0.02 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.17 1ixd h LYS 85 Cb 0.09 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 31.14 1ixd h LYS 85 CO -0.00 0.16 0.56 0.43 -2.00 0.00 0.00 179.45 178.60 1ixd n SER 86 N -4.07 4.16 -4.61 7.07 7.64 -0.28 -4.96 113.62 118.58 1ixd n SER 86 Ca -0.02 -3.67 -0.24 0.00 1.01 0.00 0.00 58.87 55.95 1ixd n SER 86 Cb 0.24 -0.82 -0.08 0.00 -1.01 0.00 0.00 64.21 62.54 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 -3.37 0.18 -0.34 0.00 0.52 0.06 -4.93 118.95 111.07 1ixd s ARG 88 Ca 0.29 -0.29 -0.28 0.00 -0.52 0.00 0.00 55.73 54.93 1ixd s ARG 88 Cb -0.07 0.07 -0.02 0.00 0.52 0.00 0.00 34.95 35.45 1ixd s ARG 88 CO 0.18 -0.03 1.81 -1.25 0.02 0.00 0.00 175.30 176.03 1ixd s PRO 89 N -0.75 3.30 0.18 3.54 0.04 -1.26 0.52 135.00 140.56 1ixd s PRO 89 Ca -0.08 1.41 -0.31 0.00 0.04 0.00 0.00 61.00 62.06 1ixd s PRO 89 Cb -0.05 -4.21 -0.10 0.00 0.04 0.00 0.00 34.50 30.18 1ixd s PRO 89 CO -0.00 -1.90 1.49 0.34 0.04 0.00 0.00 177.00 176.96 1ixd s ASP 90 N 6.25 6.66 -0.45 6.66 -1.08 -1.15 -4.87 116.67 128.68 1ixd s ASP 90 Ca 0.80 2.56 0.04 0.00 -0.52 0.00 0.00 52.55 55.43 1ixd s ASP 90 Cb -0.22 -2.60 0.66 0.00 -1.46 0.00 0.00 42.92 39.30 1ixd s ASP 90 CO 0.33 -0.75 1.91 -0.24 0.52 0.00 0.00 175.17 176.95 1ixd n SER 91 N 3.47 3.76 0.14 -0.34 2.88 -1.26 -4.50 113.62 117.78 1ixd n SER 91 Ca 0.11 -3.62 0.02 0.00 -1.33 0.00 0.00 58.87 54.05 1ixd n SER 91 Cb 0.40 -0.84 0.36 0.00 -0.75 0.00 0.00 64.21 63.38 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 1.01 0.15 -0.00 -1.46 2.47 -1.99 -3.03 114.38 111.54 1ixd h ARG 92 Ca 0.63 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 59.28 1ixd h ARG 92 Cb 2.83 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 31.10 1ixd h ARG 92 CO 1.10 0.41 -0.56 1.19 0.56 0.00 0.00 179.97 182.67 1ixd n PHE 93 N -4.18 0.01 -3.72 3.04 3.01 -1.26 -5.02 117.46 109.33 1ixd n PHE 93 Ca -0.01 -1.39 -0.37 0.00 1.01 0.00 0.00 57.45 56.69 1ixd n PHE 93 Cb 0.35 -0.24 -0.11 0.00 -0.01 0.00 0.00 39.48 39.47 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 -2.88 3.45 -0.11 4.37 0.00 -1.15 -5.09 121.76 120.36 1ixd s ALA 94 Ca 0.38 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 1ixd s ALA 94 Cb 0.37 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 1ixd s ALA 94 CO -0.08 -0.29 -0.04 0.45 0.00 0.00 0.00 175.76 175.80 1ixd s SER 95 N 1.26 4.84 -0.46 0.00 0.15 -1.26 -5.00 113.70 113.22 1ixd s SER 95 Ca 0.06 -0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.70 1ixd s SER 95 Cb -0.14 -1.54 0.59 0.00 -1.71 0.00 0.00 66.02 63.22 1ixd s SER 95 CO 0.05 0.27 1.89 0.18 1.20 0.00 0.00 173.24 176.84 1ixd n LEU 96 N 2.86 6.70 -2.71 3.45 4.77 -1.26 -4.37 117.00 126.44 1ixd n LEU 96 Ca -0.18 -3.60 -0.07 0.00 -0.03 0.00 0.00 56.01 52.13 1ixd n LEU 96 Cb 0.53 -0.85 0.10 0.00 -2.33 0.00 0.00 43.42 40.87 1ixd n LEU 96 CO 0.30 1.09 0.46 1.67 -1.33 0.00 0.00 177.39 179.58 1ixd n GLN 97 N -1.00 1.05 -2.16 3.23 7.27 -1.26 -5.11 117.38 119.40 1ixd n GLN 97 Ca 0.57 -1.77 -0.42 0.00 0.07 0.00 0.00 57.00 55.45 1ixd n GLN 97 Cb 1.44 -0.39 -0.03 0.00 2.41 0.00 0.00 30.24 33.67 1ixd n GLN 97 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1ixd s PRO 98 N 0.21 3.22 -0.30 3.69 0.04 -1.26 -4.89 135.00 135.71 1ixd s PRO 98 Ca 0.21 0.94 -0.16 0.00 0.04 0.00 0.00 61.00 62.03 1ixd s PRO 98 Cb 0.34 -4.19 0.17 0.00 0.04 0.00 0.00 34.50 30.87 1ixd s PRO 98 CO -0.08 -2.01 1.15 0.45 0.04 0.00 0.00 177.00 176.56 1ixd s SER 99 N 5.74 -0.25 0.00 6.66 0.15 -1.26 -5.04 113.70 119.70 1ixd s SER 99 Ca 0.67 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1ixd s SER 99 Cb -0.16 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1ixd s SER 99 CO 0.29 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1ixd n GLY 100 N 5.47 0.60 0.19 9.45 0.00 -1.26 -4.97 105.19 114.66 1ixd n GLY 100 Ca -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 1ixd n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ixd h PRO 101 N 0.00 0.29 -4.75 1.61 0.13 -2.04 -3.42 132.00 123.81 1ixd h PRO 101 Ca 0.00 -0.17 -0.61 0.00 -0.87 0.00 0.00 66.00 64.35 1ixd h PRO 101 Cb 0.00 0.01 -0.35 0.00 0.13 0.00 0.00 31.00 30.79 1ixd h PRO 101 CO 0.00 0.73 -0.84 -1.12 -0.23 0.00 0.00 178.00 176.54 1ixd s SER 102 N -6.89 2.70 -0.21 1.44 0.01 -1.26 -5.10 113.70 104.40 1ixd s SER 102 Ca -0.05 -0.50 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 1ixd s SER 102 Cb 0.13 -1.21 0.11 0.00 0.21 0.00 0.00 66.02 65.26 1ixd s SER 102 CO 0.79 -0.03 0.31 -0.94 0.41 0.00 0.00 173.24 173.78 1ixd s SER 103 N 1.32 0.67 0.00 2.44 1.04 -1.26 -4.76 113.70 113.15 1ixd s SER 103 Ca 0.02 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1ixd s SER 103 Cb -0.13 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1ixd s SER 103 CO -0.08 -0.30 0.18 0.61 0.98 0.00 0.00 173.24 174.62