#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ceb s LYS 2 N -3.66 2.24 -0.01 0.00 2.36 -0.74 -4.80 119.74 115.13 1ceb s LYS 2 Ca 0.32 -0.99 0.03 0.00 -2.55 0.00 0.00 55.97 52.78 1ceb s LYS 2 Cb 0.04 -2.36 -0.01 0.00 -1.05 0.00 0.00 37.83 34.45 1ceb s LYS 2 CO 0.15 0.51 -0.11 0.95 1.55 0.00 0.00 175.35 178.41 1ceb s THR 3 N -1.28 0.86 0.00 3.43 -4.23 -1.26 0.42 115.64 113.58 1ceb s THR 3 Ca 0.23 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1ceb s THR 3 Cb -0.11 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 73.00 1ceb s THR 3 CO 0.15 0.25 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 1ceb n GLY 4 N 2.92 3.28 0.03 3.99 0.00 -1.26 -0.53 105.19 113.61 1ceb n GLY 4 Ca -0.15 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.85 1ceb n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ceb n ASN 5 N 6.13 0.50 -1.49 1.61 0.23 -1.26 -4.93 115.26 116.05 1ceb n ASN 5 Ca 0.00 0.04 -0.07 0.00 -0.53 0.00 0.00 54.58 54.02 1ceb n ASN 5 Cb 0.00 0.05 0.02 0.00 -2.08 0.00 0.00 39.78 37.77 1ceb n ASN 5 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ceb n GLY 6 N 1.44 0.45 0.31 4.83 0.00 0.31 -3.66 105.19 108.86 1ceb n GLY 6 Ca 0.05 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 1ceb n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ceb h LYS 7 N -0.76 0.89 -0.54 1.61 1.79 -1.84 -2.48 116.57 115.24 1ceb h LYS 7 Ca -0.17 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1ceb h LYS 7 Cb 1.11 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1ceb h LYS 7 CO 0.16 0.80 0.00 0.09 -1.08 0.00 0.00 179.45 179.42 1ceb n ASN 8 N -4.27 4.51 -4.70 0.86 5.03 -1.26 -4.80 115.26 110.63 1ceb n ASN 8 Ca 0.04 -2.55 -0.42 0.00 0.87 0.00 0.00 54.58 52.53 1ceb n ASN 8 Cb 0.23 -0.54 -0.03 0.00 -1.02 0.00 0.00 39.78 38.42 1ceb n ASN 8 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ceb s TYR 9 N -2.02 3.04 -0.34 3.10 5.04 -0.93 -4.93 117.35 120.31 1ceb s TYR 9 Ca 0.47 0.89 0.13 0.00 -2.44 0.00 0.00 57.07 56.12 1ceb s TYR 9 Cb 0.32 -3.66 0.46 0.00 0.35 0.00 0.00 41.96 39.42 1ceb s TYR 9 CO 0.20 -2.37 1.08 0.54 -1.34 0.00 0.00 175.55 173.65 1ceb n ARG 10 N 4.71 2.40 -0.06 4.97 5.12 -1.26 -4.88 116.66 127.66 1ceb n ARG 10 Ca 0.12 -3.85 0.00 0.00 -1.93 0.00 0.00 57.85 52.20 1ceb n ARG 10 Cb 0.43 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1ceb n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ceb n GLY 11 N -0.42 -0.50 0.79 -0.13 0.00 -1.26 -5.02 105.19 98.65 1ceb n GLY 11 Ca 0.24 -1.71 0.05 0.00 0.00 0.00 0.00 46.02 44.60 1ceb n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ceb n THR 12 N -0.78 1.13 -1.91 2.61 -2.24 -1.26 -4.85 114.28 106.98 1ceb n THR 12 Ca 0.00 -1.90 -0.41 0.00 -2.27 0.00 0.00 64.05 59.47 1ceb n THR 12 Cb 0.00 0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 1ceb n THR 12 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1ceb s MET 13 N -1.67 4.20 -0.01 -0.78 0.00 -1.26 -4.88 119.30 114.90 1ceb s MET 13 Ca 0.30 2.42 0.02 0.00 0.00 0.00 0.00 55.69 58.44 1ceb s MET 13 Cb 0.31 -3.08 0.03 0.00 0.00 0.00 0.00 34.83 32.09 1ceb s MET 13 CO -0.08 -0.53 0.88 -1.13 0.00 0.00 0.00 175.02 174.17 1ceb n SER 14 N 2.48 1.42 -4.14 1.11 3.41 -1.26 -0.81 113.62 115.83 1ceb n SER 14 Ca 0.08 -1.85 -0.15 0.00 -0.26 0.00 0.00 58.87 56.69 1ceb n SER 14 Cb 0.39 -0.05 -0.11 0.00 -0.26 0.00 0.00 64.21 64.17 1ceb n SER 14 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ceb s LYS 15 N -0.88 0.73 0.00 4.33 1.02 -1.26 0.14 119.74 123.82 1ceb s LYS 15 Ca 0.03 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.07 1ceb s LYS 15 Cb 0.03 -0.56 0.00 0.00 -0.52 0.00 0.00 37.83 36.77 1ceb s LYS 15 CO 0.00 0.11 0.00 0.25 -0.92 0.00 0.00 175.35 174.79 1ceb n THR 16 N 1.13 0.00 0.64 2.17 -2.24 0.70 -4.60 114.28 112.08 1ceb n THR 16 Ca -0.20 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.68 1ceb n THR 16 Cb 0.55 -1.24 0.44 0.00 -2.10 0.00 0.00 70.33 67.98 1ceb n THR 16 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1ceb n LYS 17 N -1.34 0.06 0.00 -0.78 0.00 0.83 -0.05 118.16 116.88 1ceb n LYS 17 Ca 0.00 0.20 0.14 0.00 -0.00 0.00 0.00 58.31 58.65 1ceb n LYS 17 Cb 0.00 -1.60 0.43 0.00 -0.00 0.00 0.00 35.03 33.87 1ceb n LYS 17 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ceb n ASN 18 N -1.72 1.79 0.00 -5.58 4.13 -1.26 -4.89 115.26 107.73 1ceb n ASN 18 Ca 0.05 -1.59 0.00 0.00 1.68 0.00 0.00 54.58 54.72 1ceb n ASN 18 Cb 0.26 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 1ceb n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ceb n GLY 19 N 1.21 0.59 3.77 7.41 0.00 0.92 -5.00 105.19 114.10 1ceb n GLY 19 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1ceb n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ceb s ILE 20 N -2.58 3.64 0.08 -0.61 2.07 -1.26 -4.70 121.20 117.84 1ceb s ILE 20 Ca 0.00 1.38 -0.31 0.00 -1.41 0.00 0.00 60.65 60.32 1ceb s ILE 20 Cb 0.00 -3.78 -0.07 0.00 0.13 0.00 0.00 42.46 38.74 1ceb s ILE 20 CO 0.00 0.13 1.32 -0.89 -1.91 0.00 0.00 174.94 173.59 1ceb s THR 21 N -1.49 3.63 1.41 4.00 2.01 -1.26 -0.21 115.64 123.73 1ceb s THR 21 Ca 0.53 1.15 -0.22 0.00 0.31 0.00 0.00 61.69 63.47 1ceb s THR 21 Cb -0.25 -3.74 0.36 0.00 0.01 0.00 0.00 72.50 68.88 1ceb s THR 21 CO 0.32 0.08 0.90 0.00 -0.69 0.00 0.00 174.62 175.23 1ceb s GLN 23 N -4.88 2.32 0.46 0.00 0.74 0.30 -3.59 119.66 115.01 1ceb s GLN 23 Ca 0.68 -1.34 -0.17 0.00 0.05 0.00 0.00 55.36 54.58 1ceb s GLN 23 Cb -0.16 -2.21 -0.09 0.00 1.10 0.00 0.00 33.01 31.66 1ceb s GLN 23 CO 0.59 0.38 0.93 0.15 -0.55 0.00 0.00 175.29 176.79 1ceb s LYS 24 N -3.51 4.00 0.56 1.67 1.02 -1.26 -4.33 119.74 117.88 1ceb s LYS 24 Ca 0.30 0.90 0.34 0.00 0.02 0.00 0.00 55.97 57.54 1ceb s LYS 24 Cb -0.07 -2.21 1.48 0.00 -0.52 0.00 0.00 37.83 36.52 1ceb s LYS 24 CO 0.20 -0.14 2.03 -1.49 -0.92 0.00 0.00 175.35 175.02 1ceb h TRP 25 N 1.32 0.00 -0.43 3.18 4.06 -1.65 -2.48 115.95 119.95 1ceb h TRP 25 Ca -0.47 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.48 1ceb h TRP 25 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 1ceb h TRP 25 CO 0.63 0.03 0.00 -1.13 -3.56 0.00 0.00 178.44 174.41 1ceb n SER 26 N -3.15 3.45 -4.96 -3.49 3.41 -1.26 -4.48 113.62 103.13 1ceb n SER 26 Ca -0.00 -1.99 -0.19 0.00 -0.26 0.00 0.00 58.87 56.44 1ceb n SER 26 Cb 0.28 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 1ceb n SER 26 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ceb s SER 27 N -1.43 5.62 -0.06 4.04 0.15 -0.94 -5.01 113.70 116.08 1ceb s SER 27 Ca 0.40 -0.41 0.09 0.00 0.70 0.00 0.00 55.95 56.73 1ceb s SER 27 Cb 0.23 -0.87 0.14 0.00 -1.71 0.00 0.00 66.02 63.81 1ceb s SER 27 CO 0.32 -0.59 1.07 0.35 1.20 0.00 0.00 173.24 175.59 1ceb n THR 28 N -1.68 0.84 -3.75 6.45 -2.24 -1.24 -4.43 114.28 108.23 1ceb n THR 28 Ca 0.03 -1.05 -0.13 0.00 -2.27 0.00 0.00 64.05 60.64 1ceb n THR 28 Cb 0.59 0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 68.91 1ceb n THR 28 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ceb s SER 29 N -1.86 -0.35 0.00 3.42 0.15 -1.26 -3.70 113.70 110.10 1ceb s SER 29 Ca 0.15 0.66 0.17 0.00 0.70 0.00 0.00 55.95 57.63 1ceb s SER 29 Cb 0.14 0.69 0.86 0.00 -1.71 0.00 0.00 66.02 65.99 1ceb s SER 29 CO 0.01 -0.15 1.51 -0.81 1.20 0.00 0.00 173.24 175.00 1ceb n PRO 30 N 2.75 0.23 -5.10 5.44 -0.04 -1.26 -4.76 135.00 132.27 1ceb n PRO 30 Ca -0.14 0.13 -0.28 0.00 -0.04 0.00 0.00 63.50 63.17 1ceb n PRO 30 Cb 0.57 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.38 1ceb n PRO 30 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ceb s HIS 31 N -2.59 1.98 -0.34 0.54 3.76 -1.26 -4.94 115.29 112.45 1ceb s HIS 31 Ca 0.16 -0.38 -0.15 0.00 -0.15 0.00 0.00 55.06 54.54 1ceb s HIS 31 Cb 0.11 -1.28 -0.01 0.00 1.11 0.00 0.00 32.58 32.51 1ceb s HIS 31 CO 0.26 -0.04 0.34 0.50 -0.85 0.00 0.00 174.74 174.96 1ceb s ARG 32 N -0.51 3.58 0.29 1.40 3.52 -1.24 -3.64 118.95 122.35 1ceb s ARG 32 Ca 0.08 -0.43 -0.28 0.00 -0.13 0.00 0.00 55.73 54.98 1ceb s ARG 32 Cb -0.09 -3.80 -0.09 0.00 -1.56 0.00 0.00 34.95 29.41 1ceb s ARG 32 CO -0.01 -0.50 0.95 -1.25 -0.81 0.00 0.00 175.30 173.69 1ceb s PRO 33 N 1.98 4.68 0.19 5.12 0.04 -1.26 -4.97 135.00 140.77 1ceb s PRO 33 Ca 0.11 1.41 0.17 0.00 0.04 0.00 0.00 61.00 62.73 1ceb s PRO 33 Cb -0.17 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 1ceb s PRO 33 CO 0.11 0.36 1.16 0.00 0.04 0.00 0.00 177.00 178.67 1ceb h ARG 34 N 3.55 0.00 -5.91 4.56 3.08 -1.96 -3.44 114.38 114.26 1ceb h ARG 34 Ca -0.46 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 58.91 1ceb h ARG 34 Cb 1.20 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.02 1ceb h ARG 34 CO 0.66 0.33 -0.74 -0.06 -1.07 0.00 0.00 179.97 179.09 1ceb s PHE 35 N -3.01 2.83 0.07 3.04 0.40 -1.26 -5.00 117.98 115.05 1ceb s PHE 35 Ca 0.01 -0.24 -0.27 0.00 -0.60 0.00 0.00 56.93 55.82 1ceb s PHE 35 Cb 0.08 -1.74 0.09 0.00 0.51 0.00 0.00 43.02 41.95 1ceb s PHE 35 CO 0.77 0.10 0.99 -1.54 0.70 0.00 0.00 175.22 176.25 1ceb s SER 36 N -0.36 -0.21 0.48 1.36 1.04 -1.26 -4.94 113.70 109.80 1ceb s SER 36 Ca 0.04 -0.23 0.21 0.00 0.48 0.00 0.00 55.95 56.45 1ceb s SER 36 Cb -0.12 0.40 1.20 0.00 0.10 0.00 0.00 66.02 67.60 1ceb s SER 36 CO 0.02 -0.71 2.01 1.55 0.98 0.00 0.00 173.24 177.09 1ceb h PRO 37 N 2.00 0.00 -0.08 4.02 0.14 -1.81 0.41 132.00 136.68 1ceb h PRO 37 Ca -0.24 0.00 0.04 0.00 0.14 0.00 0.00 66.00 65.94 1ceb h PRO 37 Cb 1.23 0.00 -0.04 0.00 0.14 0.00 0.00 31.00 32.32 1ceb h PRO 37 CO 0.27 0.18 -0.16 0.00 0.14 0.00 0.00 178.00 178.43 1ceb h ALA 38 N 1.82 -0.13 0.13 -0.56 0.00 -1.97 -3.19 119.26 115.37 1ceb h ALA 38 Ca -0.00 0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 1ceb h ALA 38 Cb 0.38 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ceb h ALA 38 CO 0.02 -0.63 -1.79 1.15 0.00 0.00 0.00 179.25 178.00 1ceb h THR 39 N -0.23 0.86 -2.15 0.00 2.02 -1.91 -3.39 112.91 108.12 1ceb h THR 39 Ca 0.08 -2.53 -0.56 0.00 0.77 0.00 0.00 66.41 64.17 1ceb h THR 39 Cb 0.34 2.64 -0.41 0.00 -1.74 0.00 0.00 68.15 68.97 1ceb h THR 39 CO -0.22 0.83 -0.83 1.41 0.37 0.00 0.00 175.52 177.08 1ceb n HIS 40 N -3.47 2.33 -0.32 3.16 8.25 0.14 -4.90 115.22 120.42 1ceb n HIS 40 Ca -0.25 -3.93 0.25 0.00 -0.26 0.00 0.00 57.72 53.53 1ceb n HIS 40 Cb 1.06 -0.47 0.54 0.00 1.12 0.00 0.00 29.99 32.24 1ceb n HIS 40 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1ceb h PRO 41 N 3.46 0.32 -0.15 -0.41 0.11 -1.74 0.89 132.00 134.49 1ceb h PRO 41 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1ceb h PRO 41 Cb 0.71 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1ceb h PRO 41 CO 0.69 0.21 0.00 0.43 -0.21 0.00 0.00 178.00 179.12 1ceb n SER 42 N -4.57 1.50 -0.25 -2.05 7.64 -1.26 -4.29 113.62 110.33 1ceb n SER 42 Ca 0.26 -1.67 0.14 0.00 1.01 0.00 0.00 58.87 58.60 1ceb n SER 42 Cb 0.94 -0.09 0.64 0.00 -1.01 0.00 0.00 64.21 64.68 1ceb n SER 42 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ceb n GLU 43 N 0.21 1.19 -1.84 1.43 4.71 0.31 -4.92 120.64 121.72 1ceb n GLU 43 Ca 0.16 -0.51 -0.14 0.00 -0.01 0.00 0.00 57.16 56.66 1ceb n GLU 43 Cb 0.30 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.21 1ceb n GLU 43 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ceb n GLY 44 N 1.17 0.63 2.73 0.62 0.00 -1.26 -4.87 105.19 104.22 1ceb n GLY 44 Ca 0.18 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1ceb n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ceb n LEU 45 N -1.84 3.14 -4.84 0.99 4.32 -1.26 -4.87 117.00 112.64 1ceb n LEU 45 Ca -0.16 -2.19 -0.38 0.00 -0.02 0.00 0.00 56.01 53.26 1ceb n LEU 45 Cb 0.55 -0.87 -0.06 0.00 -1.62 0.00 0.00 43.42 41.42 1ceb n LEU 45 CO 0.21 -0.02 0.12 -1.83 -1.22 0.00 0.00 177.39 174.64 1ceb s GLU 46 N 3.89 3.93 4.48 3.23 -1.05 -1.26 -4.59 118.70 127.33 1ceb s GLU 46 Ca 0.25 0.43 0.00 0.00 -0.15 0.00 0.00 54.97 55.51 1ceb s GLU 46 Cb 0.07 -3.22 0.00 0.00 -0.44 0.00 0.00 34.13 30.54 1ceb s GLU 46 CO -0.02 0.69 0.00 0.39 0.95 0.00 0.00 175.26 177.27 1ceb n GLU 47 N 1.79 0.00 -0.27 -4.83 4.71 -1.26 -2.66 120.64 118.12 1ceb n GLU 47 Ca -0.14 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.08 1ceb n GLU 47 Cb 0.52 0.00 0.20 0.00 -1.01 0.00 0.00 31.44 31.15 1ceb n GLU 47 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1ceb n ASN 48 N -0.62 3.29 -4.67 1.62 6.94 -1.26 -1.97 115.26 118.58 1ceb n ASN 48 Ca 0.00 -2.22 -0.41 0.00 -0.02 0.00 0.00 54.58 51.93 1ceb n ASN 48 Cb 0.00 -0.33 0.02 0.00 -2.36 0.00 0.00 39.78 37.11 1ceb n ASN 48 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1ceb n TYR 49 N 0.42 1.78 -1.92 -2.53 4.01 -1.09 -4.56 117.16 113.27 1ceb n TYR 49 Ca 0.15 0.50 -0.42 0.00 -0.16 0.00 0.00 57.90 57.97 1ceb n TYR 49 Cb 0.56 -2.32 -0.03 0.00 -0.31 0.00 0.00 39.34 37.24 1ceb n TYR 49 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ceb s ARG 51 N 2.62 0.85 -0.63 0.00 1.81 -0.55 -4.80 118.95 118.25 1ceb s ARG 51 Ca 0.74 -1.36 0.06 0.00 -1.72 0.00 0.00 55.73 53.44 1ceb s ARG 51 Cb -0.40 0.24 0.27 0.00 -0.45 0.00 0.00 34.95 34.61 1ceb s ARG 51 CO 0.32 -0.23 0.79 -1.71 -0.68 0.00 0.00 175.30 173.80 1ceb n ASN 52 N -0.04 3.94 -0.25 0.23 5.15 -1.26 -2.97 115.26 120.05 1ceb n ASN 52 Ca -0.08 -3.50 0.03 0.00 -0.60 0.00 0.00 54.58 50.42 1ceb n ASN 52 Cb 0.63 -0.65 0.15 0.00 -0.53 0.00 0.00 39.78 39.39 1ceb n ASN 52 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1ceb h PRO 53 N 3.92 0.56 -0.15 1.20 0.10 -1.91 -2.63 132.00 133.08 1ceb h PRO 53 Ca 0.19 -0.03 0.00 0.00 0.10 0.00 0.00 66.00 66.25 1ceb h PRO 53 Cb 0.63 -0.13 0.00 0.00 0.10 0.00 0.00 31.00 31.60 1ceb h PRO 53 CO 0.84 0.37 0.00 -0.40 0.10 0.00 0.00 178.00 178.91 1ceb n ASP 54 N -4.89 2.31 -3.87 -2.05 5.75 -1.26 -4.98 116.55 107.56 1ceb n ASP 54 Ca 0.12 -1.78 -0.29 0.00 -0.01 0.00 0.00 54.79 52.82 1ceb n ASP 54 Cb 0.31 -0.09 0.03 0.00 -1.03 0.00 0.00 41.12 40.34 1ceb n ASP 54 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1ceb n ASN 55 N 0.77 -4.97 -4.66 -1.12 2.85 -0.99 -4.94 115.26 102.18 1ceb n ASN 55 Ca 0.17 -0.75 -0.46 0.00 -0.11 0.00 0.00 54.58 53.43 1ceb n ASN 55 Cb 0.45 -4.03 -0.04 0.00 1.24 0.00 0.00 39.78 37.40 1ceb n ASN 55 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1ceb n ASP 56 N -2.86 2.99 0.30 1.20 -0.08 -1.26 -4.88 116.55 111.96 1ceb n ASP 56 Ca 0.03 1.09 0.17 0.00 -1.51 0.00 0.00 54.79 54.57 1ceb n ASP 56 Cb 0.53 -1.41 0.91 0.00 2.34 0.00 0.00 41.12 43.49 1ceb n ASP 56 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ceb h PRO 57 N 5.79 0.00 0.00 -0.67 0.14 -1.94 -2.39 132.00 132.93 1ceb h PRO 57 Ca -0.45 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.69 1ceb h PRO 57 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.40 1ceb h PRO 57 CO 0.88 0.00 0.00 1.04 0.14 0.00 0.00 178.00 180.06 1ceb n GLN 58 N -2.80 0.84 -0.35 0.86 6.02 -1.26 -4.91 117.38 115.79 1ceb n GLN 58 Ca -0.02 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.01 1ceb n GLN 58 Cb 0.21 -1.34 -0.02 0.00 1.02 0.00 0.00 30.24 30.11 1ceb n GLN 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ceb n GLY 59 N 0.57 -2.65 1.54 1.08 0.00 -0.90 -4.95 105.19 99.89 1ceb n GLY 59 Ca 0.14 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 1ceb n GLY 59 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ceb n PRO 60 N -2.64 0.00 -3.96 1.61 -0.02 -1.24 -4.76 135.00 123.99 1ceb n PRO 60 Ca -0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.33 1ceb n PRO 60 Cb 0.16 -0.46 -0.01 0.00 -0.02 0.00 0.00 33.50 33.17 1ceb n PRO 60 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1ceb n TRP 61 N -0.25 -1.84 -3.75 6.00 4.27 -1.16 -0.72 117.44 119.98 1ceb n TRP 61 Ca 0.07 -2.22 -0.07 0.00 -3.89 0.00 0.00 57.50 51.38 1ceb n TRP 61 Cb 0.15 0.72 -0.02 0.00 -1.36 0.00 0.00 31.31 30.80 1ceb n TRP 61 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ceb s TYR 63 N -3.78 3.57 0.08 0.00 1.51 -1.26 -2.90 117.35 114.57 1ceb s TYR 63 Ca 0.09 1.74 -0.04 0.00 -1.01 0.00 0.00 57.07 57.85 1ceb s TYR 63 Cb -0.04 -2.98 -0.05 0.00 -0.11 0.00 0.00 41.96 38.78 1ceb s TYR 63 CO 0.02 -0.03 0.29 0.99 -1.11 0.00 0.00 175.55 175.72 1ceb s THR 64 N -1.64 5.28 -2.01 -0.71 2.01 -1.15 0.11 115.64 117.53 1ceb s THR 64 Ca 0.52 -0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.56 1ceb s THR 64 Cb -0.19 -3.61 0.25 0.00 0.01 0.00 0.00 72.50 68.96 1ceb s THR 64 CO 0.25 0.17 1.22 0.35 -0.69 0.00 0.00 174.62 175.92 1ceb n THR 65 N 0.47 0.36 -3.17 -0.82 -2.24 -0.42 -4.57 114.28 103.89 1ceb n THR 65 Ca -0.06 -0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 60.95 1ceb n THR 65 Cb 0.52 0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.86 1ceb n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ceb s ASP 66 N -1.02 6.43 0.17 3.42 2.15 -1.26 -4.94 116.67 121.61 1ceb s ASP 66 Ca 0.19 0.33 -0.12 0.00 0.43 0.00 0.00 52.55 53.37 1ceb s ASP 66 Cb 0.10 -2.30 0.06 0.00 -0.30 0.00 0.00 42.92 40.48 1ceb s ASP 66 CO 0.13 -0.44 1.72 1.55 -0.17 0.00 0.00 175.17 177.96 1ceb h PRO 67 N 8.23 0.85 -0.94 4.34 0.13 -1.92 -2.93 132.00 139.75 1ceb h PRO 67 Ca -0.28 -0.16 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1ceb h PRO 67 Cb 1.12 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1ceb h PRO 67 CO 0.77 0.74 0.03 0.39 -0.23 0.00 0.00 178.00 179.70 1ceb n GLU 68 N -4.49 1.64 -3.45 0.86 4.71 -1.26 -4.46 120.64 114.19 1ceb n GLU 68 Ca 0.03 -0.61 -0.22 0.00 -0.01 0.00 0.00 57.16 56.34 1ceb n GLU 68 Cb 0.16 -1.55 -0.11 0.00 -1.01 0.00 0.00 31.44 28.93 1ceb n GLU 68 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1ceb s LYS 69 N -1.17 0.33 0.09 3.49 2.47 -1.11 -5.07 119.74 118.77 1ceb s LYS 69 Ca 0.11 -0.46 -0.27 0.00 -1.56 0.00 0.00 55.97 53.79 1ceb s LYS 69 Cb 0.09 -0.89 -0.15 0.00 -1.46 0.00 0.00 37.83 35.42 1ceb s LYS 69 CO 0.03 -1.06 1.69 -0.09 0.16 0.00 0.00 175.35 176.07 1ceb h ARG 70 N 8.06 -0.37 0.00 4.03 2.43 -1.78 -3.38 114.38 123.37 1ceb h ARG 70 Ca -0.12 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1ceb h ARG 70 Cb 1.04 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1ceb h ARG 70 CO 0.35 -0.25 0.00 2.48 -1.51 0.00 0.00 179.97 181.04 1ceb n TYR 71 N -5.27 -0.04 0.00 2.20 4.11 -1.26 -2.92 117.16 113.99 1ceb n TYR 71 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.81 1ceb n TYR 71 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.52 1ceb n TYR 71 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1ceb n ASP 72 N -2.21 0.00 -4.88 9.48 -0.08 -1.14 -4.83 116.55 112.88 1ceb n ASP 72 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 1ceb n ASP 72 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1ceb n ASP 72 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1ceb s TYR 73 N -2.00 3.47 0.13 -0.67 1.51 -1.26 -2.24 117.35 116.29 1ceb s TYR 73 Ca 0.00 0.97 0.03 0.00 -1.01 0.00 0.00 57.07 57.07 1ceb s TYR 73 Cb 0.00 -2.38 -0.04 0.00 -0.11 0.00 0.00 41.96 39.43 1ceb s TYR 73 CO 0.00 -0.04 0.17 0.00 -1.11 0.00 0.00 175.55 174.57 1ceb s ASP 75 N -2.92 6.30 -0.21 0.00 -1.08 -1.26 -4.60 116.67 112.91 1ceb s ASP 75 Ca 0.32 -3.07 -0.09 0.00 -0.52 0.00 0.00 52.55 49.19 1ceb s ASP 75 Cb -0.11 -2.06 -0.04 0.00 -1.46 0.00 0.00 42.92 39.25 1ceb s ASP 75 CO 0.25 -0.40 0.10 -0.63 0.52 0.00 0.00 175.17 175.01 1ceb s ILE 76 N -0.41 5.02 0.45 4.11 1.09 -1.26 -5.00 121.20 125.20 1ceb s ILE 76 Ca 0.21 0.06 -0.24 0.00 -1.10 0.00 0.00 60.65 59.58 1ceb s ILE 76 Cb -0.12 -3.30 -0.07 0.00 -1.06 0.00 0.00 42.46 37.90 1ceb s ILE 76 CO -0.08 0.41 1.25 -0.76 -0.10 0.00 0.00 174.94 175.67 1ceb s LEU 77 N 0.66 4.08 0.52 2.97 1.02 -1.26 -4.84 118.68 121.83 1ceb s LEU 77 Ca 0.05 2.52 -0.18 0.00 0.02 0.00 0.00 54.13 56.55 1ceb s LEU 77 Cb -0.13 -4.10 -0.07 0.00 0.02 0.00 0.00 46.19 41.92 1ceb s LEU 77 CO 0.01 -0.99 1.03 -1.61 0.02 0.00 0.00 176.35 174.81 1ceb s GLU 78 N -2.52 3.71 0.00 1.70 0.41 -1.26 -1.79 118.70 118.94 1ceb s GLU 78 Ca 0.62 1.21 0.00 0.00 -0.41 0.00 0.00 54.97 56.39 1ceb s GLU 78 Cb -0.34 -2.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.92 1ceb s GLU 78 CO 0.43 -0.49 0.11 0.00 -0.49 0.00 0.00 175.26 174.82