#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 6.19 -0.56 1.61 0.15 -1.26 -4.95 113.70 114.89 1ixd s SER 2 Ca 0.00 1.46 -0.28 0.00 0.70 0.00 0.00 55.95 57.83 1ixd s SER 2 Cb 0.00 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.81 1ixd s SER 2 CO 0.00 -1.44 1.16 -0.94 1.20 0.00 0.00 173.24 173.22 1ixd s SER 3 N 4.90 6.47 0.00 5.45 1.04 -1.26 -4.89 113.70 125.42 1ixd s SER 3 Ca 0.74 0.14 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1ixd s SER 3 Cb -0.23 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1ixd s SER 3 CO 0.31 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1ixd n GLY 4 N 5.03 -0.46 1.44 7.32 0.00 -1.26 -5.17 105.19 112.08 1ixd n GLY 4 Ca 0.09 -1.33 0.18 0.00 0.00 0.00 0.00 46.02 44.95 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 -8.50 -3.45 1.61 2.88 -1.26 -4.89 113.62 100.01 1ixd n SER 5 Ca 0.00 1.11 -0.25 0.00 -1.33 0.00 0.00 58.87 58.40 1ixd n SER 5 Cb 0.00 -4.71 -0.12 0.00 -0.75 0.00 0.00 64.21 58.64 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 -7.24 2.57 -0.33 -3.46 0.01 -1.26 -5.02 113.70 98.97 1ixd s SER 6 Ca 0.00 -1.61 -0.05 0.00 1.31 0.00 0.00 55.95 55.59 1ixd s SER 6 Cb 0.00 -0.06 0.24 0.00 0.21 0.00 0.00 66.02 66.42 1ixd s SER 6 CO 0.00 -0.35 1.19 0.61 0.41 0.00 0.00 173.24 175.10 1ixd n GLY 7 N 4.60 -1.79 3.45 3.44 0.00 -1.26 -5.17 105.19 108.46 1ixd n GLY 7 Ca 0.05 1.19 -0.29 0.00 0.00 0.00 0.00 46.02 46.98 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 0.46 2.56 -0.21 0.99 1.43 -1.26 -5.03 118.68 117.62 1ixd s LEU 8 Ca 0.24 -0.67 0.08 0.00 -1.03 0.00 0.00 54.13 52.75 1ixd s LEU 8 Cb 0.17 -1.39 0.25 0.00 0.03 0.00 0.00 46.19 45.25 1ixd s LEU 8 CO -0.09 0.16 1.28 0.00 0.23 0.00 0.00 176.35 177.93 1ixd n ALA 9 N 0.69 2.74 -2.72 4.21 0.00 -1.26 -5.02 120.51 119.16 1ixd n ALA 9 Ca -0.16 -0.82 -0.07 0.00 0.00 0.00 0.00 53.44 52.39 1ixd n ALA 9 Cb 0.53 -0.64 0.07 0.00 0.00 0.00 0.00 19.45 19.42 1ixd n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ixd n MET 10 N -0.95 0.70 -0.09 0.00 0.00 -1.26 -4.58 117.12 110.94 1ixd n MET 10 Ca -0.19 -1.55 -0.08 0.00 0.00 0.00 0.00 57.70 55.88 1ixd n MET 10 Cb 0.78 -1.02 -0.00 0.00 0.00 0.00 0.00 33.22 32.98 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 3.38 0.33 -0.12 3.17 0.11 -1.95 -2.05 132.00 134.86 1ixd h PRO 11 Ca -0.16 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.96 1ixd h PRO 11 Cb 1.10 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1ixd h PRO 11 CO 0.16 0.22 0.27 -1.35 -0.21 0.00 0.00 178.00 177.09 1ixd h PRO 12 N 0.34 0.00 0.00 1.05 0.11 -1.87 -3.45 132.00 128.18 1ixd h PRO 12 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1ixd h PRO 12 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1ixd h PRO 12 CO -0.09 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.11 1ixd n GLY 13 N -1.30 3.40 2.69 -0.55 0.00 -0.77 -4.86 105.19 103.80 1ixd n GLY 13 Ca 0.01 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 1ixd n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ixd s ASN 14 N 0.00 2.10 0.00 1.61 0.01 -1.26 -4.92 114.94 112.48 1ixd s ASN 14 Ca 0.00 -1.13 0.00 0.00 -0.71 0.00 0.00 52.86 51.02 1ixd s ASN 14 Cb 0.00 0.26 0.00 0.00 0.41 0.00 0.00 41.25 41.92 1ixd s ASN 14 CO 0.00 -0.37 0.00 -1.20 -1.51 0.00 0.00 177.10 174.02 1ixd n SER 15 N 5.01 0.00 0.00 -1.22 7.64 -1.26 -2.12 113.62 121.67 1ixd n SER 15 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1ixd n SER 15 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1ixd n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ixd n HIS 16 N 0.00 0.00 0.00 1.43 8.25 -1.26 -4.76 115.22 118.88 1ixd n HIS 16 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ixd n HIS 16 Cb 0.00 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 2.92 -1.72 3.48 -1.41 0.00 -0.90 -4.72 105.19 102.84 1ixd n GLY 17 Ca 0.00 0.69 -0.42 0.00 0.00 0.00 0.00 46.02 46.29 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 4.93 0.27 0.99 1.43 -1.24 -5.01 118.68 120.05 1ixd s LEU 18 Ca 0.00 -0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1ixd s LEU 18 Cb 0.00 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1ixd s LEU 18 CO 0.00 -0.39 0.27 -1.83 0.23 0.00 0.00 176.35 174.63 1ixd s GLU 19 N 1.69 1.52 0.24 1.70 -1.05 -1.26 -4.86 118.70 116.67 1ixd s GLU 19 Ca 0.05 -1.72 -0.31 0.00 -0.15 0.00 0.00 54.97 52.84 1ixd s GLU 19 Cb -0.19 0.34 -0.12 0.00 -0.44 0.00 0.00 34.13 33.72 1ixd s GLU 19 CO 0.10 -0.56 1.66 0.28 0.95 0.00 0.00 175.26 177.69 1ixd n VAL 20 N -0.43 0.42 0.00 1.83 0.31 -1.26 -2.22 118.33 116.97 1ixd n VAL 20 Ca 0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1ixd n VAL 20 Cb 0.64 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1ixd n VAL 20 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ixd n GLY 21 N 3.20 2.85 3.83 2.92 0.00 -0.90 -5.01 105.19 112.08 1ixd n GLY 21 Ca 0.13 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 0.33 6.81 0.45 1.61 0.01 -0.94 -4.76 113.70 117.21 1ixd s SER 22 Ca 0.00 1.63 -0.20 0.00 1.31 0.00 0.00 55.95 58.69 1ixd s SER 22 Cb 0.00 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.61 1ixd s SER 22 CO 0.00 -0.44 0.96 -0.76 0.41 0.00 0.00 173.24 173.41 1ixd s LEU 23 N -3.51 3.87 0.06 2.44 1.43 -1.26 -1.04 118.68 120.67 1ixd s LEU 23 Ca 0.61 1.67 -0.14 0.00 -1.03 0.00 0.00 54.13 55.24 1ixd s LEU 23 Cb -0.09 -4.53 0.02 0.00 0.03 0.00 0.00 46.19 41.61 1ixd s LEU 23 CO 0.20 -0.42 0.31 0.00 0.23 0.00 0.00 176.35 176.67 1ixd s ALA 24 N -2.27 -0.69 0.02 4.21 0.00 -1.16 -2.21 121.76 119.66 1ixd s ALA 24 Ca 0.61 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.56 1ixd s ALA 24 Cb -0.09 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 1ixd s ALA 24 CO 0.17 -0.47 -0.12 -2.00 0.00 0.00 0.00 175.76 173.34 1ixd s GLU 25 N -2.92 0.88 0.23 0.00 2.12 0.20 -3.73 118.70 115.48 1ixd s GLU 25 Ca -0.02 -0.63 0.06 0.00 0.36 0.00 0.00 54.97 54.74 1ixd s GLU 25 Cb 0.00 -0.86 -0.03 0.00 0.26 0.00 0.00 34.13 33.50 1ixd s GLU 25 CO -0.06 0.22 0.23 0.08 -0.54 0.00 0.00 175.26 175.19 1ixd s VAL 26 N -0.68 4.71 -0.55 3.70 1.01 -1.26 0.40 120.40 127.73 1ixd s VAL 26 Ca 0.02 -1.20 -0.00 0.00 0.00 0.00 0.00 61.98 60.79 1ixd s VAL 26 Cb -0.07 -3.52 0.46 0.00 0.00 0.00 0.00 36.38 33.26 1ixd s VAL 26 CO 0.01 -0.29 1.98 2.29 0.00 0.00 0.00 175.10 179.08 1ixd n LYS 27 N -1.06 2.41 -1.88 2.72 2.85 -1.26 -4.86 118.16 117.08 1ixd n LYS 27 Ca -0.08 -2.89 -0.30 0.00 -1.05 0.00 0.00 58.31 53.99 1ixd n LYS 27 Cb 0.57 -2.13 0.19 0.00 -0.65 0.00 0.00 35.03 33.00 1ixd n LYS 27 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1ixd s GLU 28 N -3.32 0.57 0.07 -1.58 2.12 -1.26 -5.00 118.70 110.29 1ixd s GLU 28 Ca 0.57 -0.37 -0.36 0.00 0.36 0.00 0.00 54.97 55.16 1ixd s GLU 28 Cb 0.45 -1.83 -0.20 0.00 0.26 0.00 0.00 34.13 32.81 1ixd s GLU 28 CO 0.02 -2.47 1.59 -0.91 -0.54 0.00 0.00 175.26 172.95 1ixd h ASN 29 N -1.68 -1.03 -3.37 -1.70 -0.26 -2.05 -3.40 115.58 102.09 1ixd h ASN 29 Ca -0.44 0.04 -0.56 0.00 -0.56 0.00 0.00 56.30 54.77 1ixd h ASN 29 Cb 1.24 0.27 -0.06 0.00 -1.06 0.00 0.00 38.32 38.72 1ixd h ASN 29 CO 0.39 -0.72 1.04 -2.16 -1.06 0.00 0.00 177.43 174.91 1ixd s PRO 30 N -6.01 3.59 -0.98 0.81 0.04 -1.26 -4.94 135.00 126.25 1ixd s PRO 30 Ca -0.19 0.80 -0.24 0.00 0.04 0.00 0.00 61.00 61.41 1ixd s PRO 30 Cb 0.03 -4.00 -0.07 0.00 0.04 0.00 0.00 34.50 30.49 1ixd s PRO 30 CO 0.61 -1.55 1.98 -1.25 0.04 0.00 0.00 177.00 176.83 1ixd s PRO 31 N 4.86 2.41 0.45 0.56 0.04 -1.26 -4.93 135.00 137.13 1ixd s PRO 31 Ca 0.57 -0.48 0.07 0.00 0.04 0.00 0.00 61.00 61.20 1ixd s PRO 31 Cb -0.12 -5.09 -0.00 0.00 0.04 0.00 0.00 34.50 29.33 1ixd s PRO 31 CO 0.32 -3.71 0.42 -0.59 0.04 0.00 0.00 177.00 173.48 1ixd s PHE 32 N 10.97 2.47 -0.03 0.56 -0.12 -1.26 -5.14 117.98 125.43 1ixd s PHE 32 Ca 0.72 -0.56 0.02 0.00 -0.05 0.00 0.00 56.93 57.06 1ixd s PHE 32 Cb -0.05 -2.15 0.00 0.00 -0.63 0.00 0.00 43.02 40.19 1ixd s PHE 32 CO 0.05 -0.26 -0.08 0.71 -0.05 0.00 0.00 175.22 175.59 1ixd s TYR 33 N -2.53 0.90 0.00 3.49 2.02 -1.26 -4.67 117.35 115.30 1ixd s TYR 33 Ca 0.47 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 1ixd s TYR 33 Cb -0.03 -0.66 0.00 0.00 -0.40 0.00 0.00 41.96 40.87 1ixd s TYR 33 CO 0.28 -0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.56 1ixd n GLY 34 N 3.35 3.47 2.99 0.71 0.00 -1.24 -2.07 105.19 112.39 1ixd n GLY 34 Ca -0.19 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 1ixd n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ixd s VAL 35 N -2.41 0.09 0.30 1.61 0.11 -1.06 -3.00 120.40 116.03 1ixd s VAL 35 Ca 0.00 -0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 58.03 1ixd s VAL 35 Cb 0.00 -0.26 -0.10 0.00 -1.53 0.00 0.00 36.38 34.49 1ixd s VAL 35 CO 0.00 -0.40 1.41 -0.63 -3.33 0.00 0.00 175.10 172.15 1ixd s ILE 36 N -1.22 2.57 0.11 7.04 1.01 -0.20 -0.98 121.20 129.52 1ixd s ILE 36 Ca -0.13 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1ixd s ILE 36 Cb -0.08 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1ixd s ILE 36 CO -0.00 0.10 0.00 0.54 0.00 0.00 0.00 174.94 175.58 1ixd n ARG 37 N 1.55 0.00 -4.65 2.79 5.12 0.29 -2.11 116.66 119.65 1ixd n ARG 37 Ca 0.04 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.71 1ixd n ARG 37 Cb 0.40 -0.41 -0.16 0.00 -1.16 0.00 0.00 32.46 31.13 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 -1.91 1.45 -0.28 -1.55 -0.00 -1.25 -4.74 118.94 110.67 1ixd s TRP 38 Ca 0.00 -0.45 0.02 0.00 -0.00 0.00 0.00 56.10 55.66 1ixd s TRP 38 Cb 0.00 -1.02 0.08 0.00 -0.00 0.00 0.00 33.47 32.53 1ixd s TRP 38 CO 0.00 -0.19 -0.01 0.42 -0.00 0.00 0.00 176.95 177.17 1ixd s ILE 39 N 0.30 1.71 0.00 5.86 1.01 -1.26 0.64 121.20 129.46 1ixd s ILE 39 Ca -0.08 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 58.99 1ixd s ILE 39 Cb -0.12 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1ixd s ILE 39 CO 0.02 -0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.27 1ixd n GLY 40 N 4.56 1.64 2.93 6.18 0.00 -1.18 -4.93 105.19 114.39 1ixd n GLY 40 Ca -0.07 -0.91 -0.29 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 -1.52 1.65 0.92 1.61 -0.21 -1.26 -1.34 119.66 119.52 1ixd s GLN 41 Ca 0.00 -0.64 -0.11 0.00 0.02 0.00 0.00 55.36 54.63 1ixd s GLN 41 Cb 0.00 -2.17 0.11 0.00 1.00 0.00 0.00 33.01 31.95 1ixd s GLN 41 CO 0.00 -0.44 0.93 -2.30 -2.12 0.00 0.00 175.29 171.37 1ixd n PRO 42 N 4.80 -0.37 -2.15 2.91 -0.02 -1.26 -4.84 135.00 134.08 1ixd n PRO 42 Ca -0.13 -0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.01 1ixd n PRO 42 Cb 0.47 -2.23 -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 2.76 0.00 0.52 0.04 -1.26 -3.34 135.00 129.43 1ixd s PRO 43 Ca 0.64 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.04 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 -3.26 0.00 0.41 0.04 0.00 0.00 177.00 174.79 1ixd n GLY 44 N 6.61 1.44 3.05 0.56 0.00 -1.26 -5.10 105.19 110.50 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 3.01 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.29 1ixd s LEU 45 Ca 0.00 -1.20 -0.28 0.00 0.06 0.00 0.00 54.13 52.71 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 1.54 0.21 -1.06 0.00 0.00 176.35 176.88 1ixd s ASN 46 N 1.20 6.09 -0.30 1.48 3.84 -1.26 -4.08 114.94 121.91 1ixd s ASN 46 Ca -0.06 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 5.43 0.39 -0.57 0.43 -1.05 -1.26 -5.09 118.70 116.97 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 2.21 0.08 0.95 0.00 0.00 175.26 178.67 1ixd s VAL 48 N 2.48 3.14 -0.30 1.83 1.01 -1.26 -4.20 120.40 123.10 1ixd s VAL 48 Ca -0.04 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 1ixd s VAL 48 Cb -0.08 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1ixd s VAL 48 CO -0.18 -0.35 0.10 -0.76 0.00 0.00 0.00 175.10 173.92 1ixd s LEU 49 N 11.34 3.92 -0.35 3.92 1.43 -0.45 0.83 118.68 139.33 1ixd s LEU 49 Ca 0.86 -0.64 -0.19 0.00 -1.03 0.00 0.00 54.13 53.13 1ixd s LEU 49 Cb -0.15 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1ixd s LEU 49 CO 0.21 -0.19 0.59 0.00 0.23 0.00 0.00 176.35 177.19 1ixd s ALA 50 N 1.54 3.47 -0.30 4.21 0.00 0.51 -3.08 121.76 128.11 1ixd s ALA 50 Ca 0.03 -0.90 -0.29 0.00 0.00 0.00 0.00 51.96 50.80 1ixd s ALA 50 Cb -0.17 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1ixd s ALA 50 CO 0.04 -1.27 1.73 0.20 0.00 0.00 0.00 175.76 176.45 1ixd s GLY 51 N 1.77 0.94 -0.17 0.00 0.00 0.21 -3.30 107.32 106.76 1ixd s GLY 51 Ca 0.22 0.31 -0.12 0.00 0.00 0.00 0.00 44.72 45.14 1ixd s GLY 51 CO 0.14 3.17 0.22 1.08 0.00 0.00 0.00 173.10 177.70 1ixd s LEU 52 N 6.28 4.24 -0.43 0.66 1.43 -0.70 0.11 118.68 130.26 1ixd s LEU 52 Ca 0.77 0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 54.10 1ixd s LEU 52 Cb -0.23 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 43.79 1ixd s LEU 52 CO 0.33 0.15 0.36 -0.70 0.23 0.00 0.00 176.35 176.72 1ixd s GLU 53 N 0.32 3.00 0.54 1.70 2.12 -0.16 -0.78 118.70 125.44 1ixd s GLU 53 Ca 0.13 -1.07 -0.20 0.00 0.36 0.00 0.00 54.97 54.19 1ixd s GLU 53 Cb -0.12 -4.02 -0.05 0.00 0.26 0.00 0.00 34.13 30.19 1ixd s GLU 53 CO 0.01 -0.86 1.21 -0.51 -0.54 0.00 0.00 175.26 174.58 1ixd s LEU 54 N 1.77 3.80 0.15 2.70 1.43 -0.91 -2.57 118.68 125.04 1ixd s LEU 54 Ca 0.06 2.41 0.02 0.00 -1.03 0.00 0.00 54.13 55.59 1ixd s LEU 54 Cb -0.20 -4.45 -0.07 0.00 0.03 0.00 0.00 46.19 41.50 1ixd s LEU 54 CO 0.10 -1.37 1.33 -0.33 0.23 0.00 0.00 176.35 176.31 1ixd h GLU 55 N 1.32 0.18 -5.88 1.70 5.08 -1.76 -3.45 114.58 111.78 1ixd h GLU 55 Ca -0.50 -0.22 -0.63 0.00 -1.00 0.00 0.00 59.36 57.01 1ixd h GLU 55 Cb 1.28 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.55 1ixd h GLU 55 CO 0.57 0.99 -0.50 0.34 -1.00 0.00 0.00 179.01 179.41 1ixd s ASP 56 N -6.93 6.30 -1.16 1.42 -1.08 -1.26 -5.02 116.67 108.94 1ixd s ASP 56 Ca -0.03 0.28 -0.21 0.00 -0.52 0.00 0.00 52.55 52.08 1ixd s ASP 56 Cb 0.10 -1.94 0.02 0.00 -1.46 0.00 0.00 42.92 39.63 1ixd s ASP 56 CO 0.83 0.21 1.73 -1.61 0.52 0.00 0.00 175.17 176.85 1ixd s GLU 57 N -2.25 3.42 -0.05 4.34 8.01 -1.26 -4.63 118.70 126.28 1ixd s GLU 57 Ca 0.31 -1.41 -0.30 0.00 0.01 0.00 0.00 54.97 53.59 1ixd s GLU 57 Cb -0.13 -5.38 -0.03 0.00 -4.31 0.00 0.00 34.13 24.28 1ixd s GLU 57 CO 0.24 -2.73 1.11 0.00 0.01 0.00 0.00 175.26 173.89 1ixd s ALA 59 N 1.85 3.23 0.00 0.00 0.00 -1.26 -3.11 121.76 122.47 1ixd s ALA 59 Ca 0.53 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1ixd s ALA 59 Cb -0.23 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.03 1ixd s ALA 59 CO 0.22 -2.01 0.00 0.41 0.00 0.00 0.00 175.76 174.38 1ixd n GLY 60 N 4.71 1.26 3.93 0.00 0.00 -1.26 -5.13 105.19 108.70 1ixd n GLY 60 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.36 0.00 -1.10 0.00 -2.24 -1.12 -4.21 114.28 102.25 1ixd n THR 62 Ca 0.11 -1.54 -0.24 0.00 -2.27 0.00 0.00 64.05 60.12 1ixd n THR 62 Cb 0.60 -0.38 0.15 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.17 4.29 -0.04 3.42 5.75 -1.26 -1.78 116.55 124.76 1ixd n ASP 63 Ca 0.05 -3.52 0.00 0.00 -0.01 0.00 0.00 54.79 51.31 1ixd n ASP 63 Cb 0.46 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 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 -0.99 0.82 2.72 6.12 0.00 -1.26 -3.78 105.19 108.82 1ixd n GLY 64 Ca 0.56 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.73 0.14 -0.42 2.61 -4.23 -1.26 -3.41 115.64 107.34 1ixd s THR 65 Ca 0.00 0.21 -0.13 0.00 -1.18 0.00 0.00 61.69 60.59 1ixd s THR 65 Cb 0.00 -0.39 0.05 0.00 1.34 0.00 0.00 72.50 73.50 1ixd s THR 65 CO 0.00 0.18 0.30 0.12 -0.54 0.00 0.00 174.62 174.67 1ixd s PHE 66 N 2.06 3.26 -1.37 3.99 5.36 -0.94 -4.45 117.98 125.89 1ixd s PHE 66 Ca 0.05 -0.93 -0.09 0.00 -0.96 0.00 0.00 56.93 54.99 1ixd s PHE 66 Cb -0.13 -2.78 0.01 0.00 -0.34 0.00 0.00 43.02 39.79 1ixd s PHE 66 CO -0.05 -0.71 1.17 0.54 -1.46 0.00 0.00 175.22 174.72 1ixd n ARG 67 N 5.09 -7.85 -1.96 10.12 1.74 -1.26 -1.90 116.66 120.65 1ixd n ARG 67 Ca -0.11 0.82 -0.06 0.00 -0.77 0.00 0.00 57.85 57.73 1ixd n ARG 67 Cb 0.45 -5.87 -0.01 0.00 -1.02 0.00 0.00 32.46 26.01 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 -2.00 0.24 2.72 -0.13 0.00 -1.26 -5.01 105.19 99.75 1ixd n GLY 68 Ca 0.01 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.29 1.17 -0.09 2.61 2.01 -0.80 -5.10 115.64 113.16 1ixd s THR 69 Ca 0.00 -2.07 -0.30 0.00 0.31 0.00 0.00 61.69 59.64 1ixd s THR 69 Cb 0.00 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1ixd s THR 69 CO 0.00 -0.81 1.50 -0.60 -0.69 0.00 0.00 174.62 174.03 1ixd s ARG 70 N 0.89 4.20 -0.21 4.92 3.52 -1.26 -2.21 118.95 128.79 1ixd s ARG 70 Ca 0.14 1.99 0.09 0.00 -0.13 0.00 0.00 55.73 57.83 1ixd s ARG 70 Cb -0.22 -3.89 -0.20 0.00 -1.56 0.00 0.00 34.95 29.09 1ixd s ARG 70 CO -0.09 -0.79 -0.07 0.66 -0.81 0.00 0.00 175.30 174.20 1ixd n TYR 71 N 6.87 0.00 -4.23 5.12 4.01 -1.22 -5.01 117.16 122.70 1ixd n TYR 71 Ca 0.16 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.73 1ixd n TYR 71 Cb 0.44 -0.94 -0.06 0.00 -0.31 0.00 0.00 39.34 38.47 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 -2.95 -0.75 -3.94 -0.72 -1.74 -1.26 -4.98 117.46 101.12 1ixd n PHE 72 Ca -0.37 -2.41 -0.35 0.00 -0.56 0.00 0.00 57.45 53.76 1ixd n PHE 72 Cb 1.04 0.27 -0.14 0.00 1.52 0.00 0.00 39.48 42.17 1ixd n PHE 72 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1ixd s THR 73 N -3.15 2.99 0.23 1.97 -1.32 -1.26 -4.81 115.64 110.29 1ixd s THR 73 Ca 0.34 -1.01 -0.01 0.00 -1.21 0.00 0.00 61.69 59.80 1ixd s THR 73 Cb 0.01 -2.53 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 1ixd s THR 73 CO 0.24 0.17 0.19 0.00 -2.21 0.00 0.00 174.62 173.01 1ixd s ALA 75 N -4.02 -0.44 0.07 0.00 0.00 -1.26 -4.71 121.76 111.41 1ixd s ALA 75 Ca 0.38 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 1ixd s ALA 75 Cb 0.06 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.23 1ixd s ALA 75 CO 0.14 -4.48 0.47 -0.51 0.00 0.00 0.00 175.76 171.39 1ixd s LEU 76 N -7.73 4.41 -1.42 0.00 1.43 -1.26 -4.13 118.68 109.99 1ixd s LEU 76 Ca 0.70 1.01 -0.05 0.00 -1.03 0.00 0.00 54.13 54.75 1ixd s LEU 76 Cb -0.10 -2.93 0.01 0.00 0.03 0.00 0.00 46.19 43.19 1ixd s LEU 76 CO 0.57 0.22 0.66 0.29 0.23 0.00 0.00 176.35 178.31 1ixd n LYS 77 N 1.29 -5.05 -2.32 1.70 4.76 -1.16 -4.80 118.16 112.58 1ixd n LYS 77 Ca -0.09 0.84 -0.00 0.00 -2.87 0.00 0.00 58.31 56.18 1ixd n LYS 77 Cb 0.52 -5.58 0.05 0.00 -1.84 0.00 0.00 35.03 28.17 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 -3.95 1.10 -3.59 1.97 5.02 -1.09 -0.57 118.16 117.05 1ixd n LYS 78 Ca -0.09 -2.36 -0.27 0.00 -2.02 0.00 0.00 58.31 53.57 1ixd n LYS 78 Cb 0.60 -0.55 -0.16 0.00 -0.02 0.00 0.00 35.03 34.91 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 -1.64 0.55 -0.20 7.82 0.00 -0.73 -2.15 121.76 125.41 1ixd s ALA 79 Ca 0.21 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1ixd s ALA 79 Cb 0.33 -1.19 0.04 0.00 0.00 0.00 0.00 23.12 22.30 1ixd s ALA 79 CO -0.08 -1.37 -0.10 -1.17 0.00 0.00 0.00 175.76 173.03 1ixd s LEU 80 N 2.10 2.37 0.19 0.00 2.96 0.04 -2.78 118.68 123.54 1ixd s LEU 80 Ca 0.05 -0.93 -0.23 0.00 -0.22 0.00 0.00 54.13 52.79 1ixd s LEU 80 Cb -0.16 -1.26 -0.08 0.00 0.50 0.00 0.00 46.19 45.19 1ixd s LEU 80 CO -0.20 -0.15 0.76 -0.36 -1.32 0.00 0.00 176.35 175.08 1ixd s PHE 81 N 1.38 3.81 0.22 5.38 0.08 -1.26 -1.72 117.98 125.86 1ixd s PHE 81 Ca -0.02 1.55 -0.15 0.00 0.12 0.00 0.00 56.93 58.43 1ixd s PHE 81 Cb -0.17 -2.72 0.01 0.00 -0.57 0.00 0.00 43.02 39.58 1ixd s PHE 81 CO -0.08 0.45 0.49 0.14 -0.10 0.00 0.00 175.22 176.12 1ixd s VAL 82 N -1.29 0.02 0.18 -0.44 -7.23 -1.21 -4.96 120.40 105.48 1ixd s VAL 82 Ca 0.38 -1.10 -0.31 0.00 -1.81 0.00 0.00 61.98 59.15 1ixd s VAL 82 Cb -0.21 -1.86 -0.10 0.00 0.56 0.00 0.00 36.38 34.77 1ixd s VAL 82 CO 0.24 -0.10 1.53 -0.54 -0.31 0.00 0.00 175.10 175.93 1ixd s LYS 83 N -3.94 4.23 0.28 4.82 1.02 -1.26 -0.37 119.74 124.52 1ixd s LYS 83 Ca 0.15 2.34 0.07 0.00 0.02 0.00 0.00 55.97 58.56 1ixd s LYS 83 Cb -0.01 -3.14 0.40 0.00 -0.52 0.00 0.00 37.83 34.56 1ixd s LYS 83 CO 0.02 -0.56 1.65 1.25 -0.92 0.00 0.00 175.35 176.79 1ixd h LEU 84 N 6.37 0.17 -1.80 3.17 5.85 0.10 -2.83 115.31 126.35 1ixd h LEU 84 Ca -0.43 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 1ixd h LEU 84 Cb 1.21 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1ixd h LEU 84 CO 0.88 0.66 -0.15 0.07 -0.34 0.00 0.00 178.44 179.56 1ixd h LYS 85 N 0.13 0.00 -0.82 1.25 -0.00 -1.91 -2.10 116.57 113.11 1ixd h LYS 85 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 60.65 60.20 1ixd h LYS 85 Cb 0.95 0.00 -0.26 0.00 -0.00 0.00 0.00 32.23 32.92 1ixd h LYS 85 CO 0.07 0.15 0.43 0.43 -0.00 0.00 0.00 179.45 180.54 1ixd n SER 86 N -4.00 3.99 -4.64 7.07 7.64 -1.07 -4.96 113.62 117.65 1ixd n SER 86 Ca -0.02 -3.69 -0.35 0.00 1.01 0.00 0.00 58.87 55.82 1ixd n SER 86 Cb 0.24 -0.79 -0.10 0.00 -1.01 0.00 0.00 64.21 62.55 1ixd n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ixd s ARG 88 N -0.31 3.83 0.08 0.00 1.81 0.16 -4.92 118.95 119.60 1ixd s ARG 88 Ca 0.07 -0.41 -0.35 0.00 -1.72 0.00 0.00 55.73 53.32 1ixd s ARG 88 Cb -0.12 -3.21 -0.14 0.00 -0.45 0.00 0.00 34.95 31.03 1ixd s ARG 88 CO 0.02 0.12 1.62 -2.30 -0.68 0.00 0.00 175.30 174.08 1ixd n PRO 89 N 3.98 1.98 -3.42 3.54 -0.02 -1.26 0.59 135.00 140.38 1ixd n PRO 89 Ca -0.16 0.72 -0.44 0.00 -2.02 0.00 0.00 63.50 61.60 1ixd n PRO 89 Cb 0.52 -2.48 -0.07 0.00 -0.02 0.00 0.00 33.50 31.45 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 1.64 6.00 -0.43 2.55 2.15 -0.94 -4.74 116.67 122.90 1ixd s ASP 90 Ca 0.83 -1.63 0.04 0.00 0.43 0.00 0.00 52.55 52.22 1ixd s ASP 90 Cb -0.74 -2.13 0.62 0.00 -0.30 0.00 0.00 42.92 40.37 1ixd s ASP 90 CO 0.43 -0.72 1.87 -0.24 -0.17 0.00 0.00 175.17 176.34 1ixd n SER 91 N 5.12 3.86 0.20 -0.34 2.88 -1.26 -4.39 113.62 119.70 1ixd n SER 91 Ca -0.12 -3.52 0.05 0.00 -1.33 0.00 0.00 58.87 53.95 1ixd n SER 91 Cb 0.42 -0.83 0.44 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 0.98 0.00 -0.01 -1.46 2.47 -1.97 -3.16 114.38 111.23 1ixd h ARG 92 Ca 0.60 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 59.21 1ixd h ARG 92 Cb 2.68 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 30.77 1ixd h ARG 92 CO 1.06 0.30 -0.82 1.19 0.56 0.00 0.00 179.97 182.26 1ixd n PHE 93 N -4.05 0.03 -3.67 3.04 3.01 -1.26 -5.05 117.46 109.52 1ixd n PHE 93 Ca -0.02 -0.94 -0.37 0.00 1.01 0.00 0.00 57.45 57.13 1ixd n PHE 93 Cb 0.35 -0.19 -0.11 0.00 -0.01 0.00 0.00 39.48 39.52 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 -1.40 3.48 0.19 4.37 0.00 -1.20 -5.06 121.76 122.14 1ixd s ALA 94 Ca 0.36 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 1ixd s ALA 94 Cb 0.38 -2.33 -0.09 0.00 0.00 0.00 0.00 23.12 21.08 1ixd s ALA 94 CO -0.13 -0.39 1.37 0.45 0.00 0.00 0.00 175.76 177.06 1ixd s SER 95 N 1.45 6.81 -0.08 0.00 0.15 -1.26 -5.01 113.70 115.76 1ixd s SER 95 Ca 0.07 2.46 -0.03 0.00 0.70 0.00 0.00 55.95 59.14 1ixd s SER 95 Cb -0.15 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.60 1ixd s SER 95 CO 0.07 -0.61 0.16 -0.76 1.20 0.00 0.00 173.24 173.30 1ixd s LEU 96 N 0.12 0.14 -0.51 3.45 1.43 -1.26 -5.12 118.68 116.94 1ixd s LEU 96 Ca 0.59 0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 53.85 1ixd s LEU 96 Cb -0.38 0.30 0.08 0.00 0.03 0.00 0.00 46.19 46.22 1ixd s LEU 96 CO 0.37 -0.22 0.52 -1.10 0.23 0.00 0.00 176.35 176.15 1ixd s GLN 97 N 1.99 3.03 0.20 1.70 -1.52 -1.26 -5.06 119.66 118.75 1ixd s GLN 97 Ca -0.00 -1.26 -0.30 0.00 -1.95 0.00 0.00 55.36 51.85 1ixd s GLN 97 Cb -0.12 -4.16 -0.08 0.00 -0.22 0.00 0.00 33.01 28.43 1ixd s GLN 97 CO -0.06 -1.19 1.12 -1.25 -0.25 0.00 0.00 175.29 173.66 1ixd s PRO 98 N 2.06 4.58 -0.22 2.91 0.04 -1.26 -4.97 135.00 138.15 1ixd s PRO 98 Ca 0.08 1.77 -0.09 0.00 0.04 0.00 0.00 61.00 62.79 1ixd s PRO 98 Cb -0.24 -3.25 -0.19 0.00 0.04 0.00 0.00 34.50 30.87 1ixd s PRO 98 CO 0.08 0.07 -0.01 0.45 0.04 0.00 0.00 177.00 177.63 1ixd n SER 99 N 2.13 1.99 0.00 6.66 2.88 -1.26 -5.07 113.62 120.96 1ixd n SER 99 Ca 0.02 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1ixd n SER 99 Cb 0.46 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1ixd n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ixd n GLY 100 N 1.76 5.42 0.22 0.46 0.00 -1.26 -5.05 105.19 106.75 1ixd n GLY 100 Ca -0.42 -1.21 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 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 0.52 0.00 1.61 0.13 -2.05 -3.46 132.00 128.75 1ixd h PRO 101 Ca 0.00 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1ixd h PRO 101 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ixd h PRO 101 CO 0.00 0.83 0.00 -1.13 -0.23 0.00 0.00 178.00 177.47 1ixd n SER 102 N -4.04 0.00 -3.62 1.44 3.41 -1.26 -5.17 113.62 104.39 1ixd n SER 102 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.57 1ixd n SER 102 Cb 0.50 0.09 -0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1ixd n SER 102 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ixd s SER 103 N -1.97 -0.10 0.00 4.04 0.01 -1.26 -5.03 113.70 109.38 1ixd s SER 103 Ca 0.00 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1ixd s SER 103 Cb 0.00 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1ixd s SER 103 CO 0.00 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.44