#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cea s LYS 2 N -4.83 3.29 -0.03 0.00 2.20 0.14 -4.76 119.74 115.76 1cea s LYS 2 Ca 0.61 -0.71 0.07 0.00 -0.36 0.00 0.00 55.97 55.58 1cea s LYS 2 Cb -0.08 -2.58 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 1cea s LYS 2 CO 0.40 0.24 -0.24 -0.08 -0.36 0.00 0.00 175.35 175.31 1cea s THR 3 N 0.27 2.24 0.00 3.43 -1.32 -1.26 0.12 115.64 119.12 1cea s THR 3 Ca -0.10 -1.04 0.00 0.00 -1.21 0.00 0.00 61.69 59.34 1cea s THR 3 Cb -0.16 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 69.04 1cea s THR 3 CO 0.06 0.58 0.00 0.61 -2.21 0.00 0.00 174.62 173.66 1cea n GLY 4 N 2.43 2.61 0.96 6.08 0.00 -1.26 -2.18 105.19 113.82 1cea n GLY 4 Ca -0.16 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.86 1cea n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cea n ASN 5 N 9.67 2.89 -0.82 1.61 2.04 -1.26 -4.99 115.26 124.40 1cea n ASN 5 Ca 0.00 -1.91 -0.09 0.00 -0.44 0.00 0.00 54.58 52.13 1cea n ASN 5 Cb 0.00 -0.15 -0.03 0.00 -2.53 0.00 0.00 39.78 37.06 1cea n ASN 5 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1cea n GLY 6 N 1.38 0.82 0.32 4.83 0.00 -0.93 -3.93 105.19 107.68 1cea n GLY 6 Ca 0.18 -0.57 0.17 0.00 0.00 0.00 0.00 46.02 45.79 1cea n GLY 6 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1cea h LYS 7 N 0.00 0.20 -0.39 1.61 1.63 -1.83 -2.78 116.57 115.01 1cea h LYS 7 Ca -0.20 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 1cea h LYS 7 Cb 0.76 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 1cea h LYS 7 CO 0.28 0.13 0.00 0.09 -3.45 0.00 0.00 179.45 176.50 1cea n ASN 8 N -5.21 2.66 -4.70 4.20 5.03 -1.26 -4.78 115.26 111.21 1cea n ASN 8 Ca 0.25 -1.92 -0.42 0.00 0.87 0.00 0.00 54.58 53.36 1cea n ASN 8 Cb 0.81 -0.25 -0.03 0.00 -1.02 0.00 0.00 39.78 39.28 1cea n ASN 8 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1cea s TYR 9 N -1.49 2.44 -0.30 3.10 5.04 -1.05 -4.91 117.35 120.17 1cea s TYR 9 Ca 0.35 0.25 0.19 0.00 -2.44 0.00 0.00 57.07 55.43 1cea s TYR 9 Cb 0.19 -4.04 0.47 0.00 0.35 0.00 0.00 41.96 38.94 1cea s TYR 9 CO 0.27 -4.15 1.07 0.54 -1.34 0.00 0.00 175.55 171.94 1cea n ARG 10 N 5.34 1.40 -2.14 4.97 5.12 -1.26 -4.86 116.66 125.22 1cea n ARG 10 Ca 0.16 -3.17 -0.24 0.00 -1.93 0.00 0.00 57.85 52.68 1cea n ARG 10 Cb 0.39 -1.23 0.14 0.00 -1.16 0.00 0.00 32.46 30.60 1cea n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1cea n GLY 11 N -0.39 -0.23 1.06 -0.13 0.00 -1.26 -5.04 105.19 99.20 1cea n GLY 11 Ca 0.06 -1.89 -0.01 0.00 0.00 0.00 0.00 46.02 44.18 1cea n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cea n THR 12 N -3.14 2.47 -2.21 2.61 -2.24 -1.26 -4.75 114.28 105.76 1cea n THR 12 Ca 0.15 -2.50 -0.41 0.00 -2.27 0.00 0.00 64.05 59.02 1cea n THR 12 Cb 0.54 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 1cea n THR 12 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1cea s MET 13 N -3.13 4.39 0.00 -0.78 -1.94 -1.26 -4.88 119.30 111.70 1cea s MET 13 Ca 0.44 2.07 0.00 0.00 -1.71 0.00 0.00 55.69 56.49 1cea s MET 13 Cb 0.39 -3.18 0.00 0.00 2.01 0.00 0.00 34.83 34.04 1cea s MET 13 CO 0.02 -0.25 0.61 -1.13 -0.01 0.00 0.00 175.02 174.27 1cea n SER 14 N 2.47 1.10 -4.36 3.03 3.41 -1.26 -0.43 113.62 117.58 1cea n SER 14 Ca 0.06 -1.36 -0.24 0.00 -0.26 0.00 0.00 58.87 57.07 1cea n SER 14 Cb 0.43 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.26 1cea n SER 14 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1cea s LYS 15 N -0.36 1.33 0.93 4.33 2.47 -1.26 0.43 119.74 127.61 1cea s LYS 15 Ca 0.00 -1.41 -0.14 0.00 -1.56 0.00 0.00 55.97 52.86 1cea s LYS 15 Cb 0.00 -1.51 0.19 0.00 -1.46 0.00 0.00 37.83 35.06 1cea s LYS 15 CO 0.00 0.32 1.28 0.95 0.16 0.00 0.00 175.35 178.06 1cea s THR 16 N -1.81 2.02 0.44 3.43 -4.23 -0.13 -4.59 115.64 110.77 1cea s THR 16 Ca 0.16 -0.09 0.13 0.00 -1.18 0.00 0.00 61.69 60.71 1cea s THR 16 Cb -0.07 -2.93 0.19 0.00 1.34 0.00 0.00 72.50 71.03 1cea s THR 16 CO 0.07 0.00 1.99 0.07 -0.54 0.00 0.00 174.62 176.22 1cea h LYS 17 N -1.50 0.10 -0.13 3.99 2.10 -1.22 -2.72 116.57 117.19 1cea h LYS 17 Ca -0.43 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1cea h LYS 17 Cb 1.24 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1cea h LYS 17 CO 0.38 0.22 0.00 0.09 -2.00 0.00 0.00 179.45 178.14 1cea n ASN 18 N -4.34 0.99 0.00 7.07 5.03 -1.26 -4.94 115.26 117.81 1cea n ASN 18 Ca -0.02 -1.72 0.00 0.00 0.87 0.00 0.00 54.58 53.71 1cea n ASN 18 Cb 0.22 -0.08 0.00 0.00 -1.02 0.00 0.00 39.78 38.90 1cea n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cea n GLY 19 N 0.93 0.99 3.72 7.41 0.00 -1.03 -5.00 105.19 112.21 1cea n GLY 19 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1cea n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1cea s ILE 20 N -3.54 4.51 0.20 -0.61 1.10 -1.26 -4.58 121.20 117.02 1cea s ILE 20 Ca 0.00 2.00 -0.30 0.00 -0.51 0.00 0.00 60.65 61.83 1cea s ILE 20 Cb 0.00 -4.28 -0.09 0.00 0.15 0.00 0.00 42.46 38.24 1cea s ILE 20 CO 0.00 0.26 1.36 0.28 -2.11 0.00 0.00 174.94 174.74 1cea s THR 21 N 0.29 3.06 0.83 4.00 -1.32 -1.26 -0.95 115.64 120.29 1cea s THR 21 Ca 0.49 0.86 -0.11 0.00 -1.21 0.00 0.00 61.69 61.71 1cea s THR 21 Cb -0.24 -3.55 0.09 0.00 -1.51 0.00 0.00 72.50 67.30 1cea s THR 21 CO 0.30 0.12 1.09 0.00 -2.21 0.00 0.00 174.62 173.92 1cea s GLN 23 N -5.06 3.58 0.35 0.00 0.74 0.54 -4.61 119.66 115.20 1cea s GLN 23 Ca 0.62 -0.15 -0.27 0.00 0.05 0.00 0.00 55.36 55.60 1cea s GLN 23 Cb -0.16 -2.95 -0.09 0.00 1.10 0.00 0.00 33.01 30.91 1cea s GLN 23 CO 0.55 0.55 1.19 0.15 -0.55 0.00 0.00 175.29 177.18 1cea s LYS 24 N -2.38 4.31 0.21 1.67 1.02 -1.26 -4.42 119.74 118.89 1cea s LYS 24 Ca 0.36 1.94 0.22 0.00 0.02 0.00 0.00 55.97 58.51 1cea s LYS 24 Cb -0.13 -2.93 0.91 0.00 -0.52 0.00 0.00 37.83 35.16 1cea s LYS 24 CO 0.23 -0.13 1.67 0.91 -0.92 0.00 0.00 175.35 177.11 1cea n TRP 25 N 0.60 0.66 0.70 3.18 7.02 -0.71 -2.67 117.44 126.21 1cea n TRP 25 Ca 0.01 0.26 0.11 0.00 -1.02 0.00 0.00 57.50 56.86 1cea n TRP 25 Cb 0.45 -0.91 0.13 0.00 -2.42 0.00 0.00 31.31 28.56 1cea n TRP 25 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1cea n SER 26 N -2.10 3.06 -4.95 -0.99 3.41 -1.26 -4.39 113.62 106.40 1cea n SER 26 Ca 0.02 -1.95 -0.23 0.00 -0.26 0.00 0.00 58.87 56.45 1cea n SER 26 Cb 0.22 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 1cea n SER 26 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1cea s SER 27 N -1.72 6.32 -0.33 4.04 0.15 -1.09 -5.03 113.70 116.04 1cea s SER 27 Ca 0.30 0.23 0.11 0.00 0.70 0.00 0.00 55.95 57.29 1cea s SER 27 Cb 0.20 -1.93 0.46 0.00 -1.71 0.00 0.00 66.02 63.03 1cea s SER 27 CO 0.29 -0.12 1.12 0.35 1.20 0.00 0.00 173.24 176.08 1cea n THR 28 N -1.35 2.08 -3.63 6.45 -2.24 -1.26 -4.48 114.28 109.84 1cea n THR 28 Ca -0.07 -4.05 -0.11 0.00 -2.27 0.00 0.00 64.05 57.54 1cea n THR 28 Cb 0.56 -0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 68.19 1cea n THR 28 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1cea s SER 29 N -3.56 -0.62 0.54 3.42 0.15 -1.26 -4.04 113.70 108.32 1cea s SER 29 Ca 0.43 1.19 0.25 0.00 0.70 0.00 0.00 55.95 58.52 1cea s SER 29 Cb 0.40 1.21 1.50 0.00 -1.71 0.00 0.00 66.02 67.42 1cea s SER 29 CO -0.04 -0.20 2.14 1.55 1.20 0.00 0.00 173.24 177.88 1cea h PRO 30 N 4.78 0.00 -5.57 5.44 0.13 -1.89 -3.47 132.00 131.41 1cea h PRO 30 Ca -0.29 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.19 1cea h PRO 30 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 1cea h PRO 30 CO 0.08 0.07 -0.69 -1.01 -0.23 0.00 0.00 178.00 176.23 1cea s HIS 31 N -4.52 2.97 -0.44 1.56 3.76 -1.26 -5.02 115.29 112.35 1cea s HIS 31 Ca -0.04 -0.23 -0.25 0.00 -0.15 0.00 0.00 55.06 54.38 1cea s HIS 31 Cb 0.15 -1.86 0.02 0.00 1.11 0.00 0.00 32.58 32.00 1cea s HIS 31 CO 0.60 0.07 0.91 0.50 -0.85 0.00 0.00 174.74 175.96 1cea s ARG 32 N -0.03 3.58 0.53 1.40 3.52 -1.26 -4.32 118.95 122.37 1cea s ARG 32 Ca 0.00 0.21 -0.22 0.00 -0.13 0.00 0.00 55.73 55.60 1cea s ARG 32 Cb -0.13 -3.90 -0.05 0.00 -1.56 0.00 0.00 34.95 29.30 1cea s ARG 32 CO 0.03 -1.16 1.27 -2.14 -0.81 0.00 0.00 175.30 172.49 1cea s PRO 33 N 3.65 3.31 -0.02 5.12 0.02 -1.26 -4.94 135.00 140.89 1cea s PRO 33 Ca 0.36 2.01 0.04 0.00 0.02 0.00 0.00 61.00 63.44 1cea s PRO 33 Cb -0.11 -2.25 -0.25 0.00 0.02 0.00 0.00 34.50 31.92 1cea s PRO 33 CO 0.25 -0.98 0.76 0.07 -0.33 0.00 0.00 177.00 176.76 1cea h ARG 34 N 1.55 0.11 -5.10 5.54 -0.00 -1.98 -3.44 114.38 111.07 1cea h ARG 34 Ca -0.50 -0.19 -0.66 0.00 -0.00 0.00 0.00 59.98 58.63 1cea h ARG 34 Cb 1.28 0.07 -0.28 0.00 -0.00 0.00 0.00 29.97 31.05 1cea h ARG 34 CO 0.58 0.85 -0.74 -0.06 -0.00 0.00 0.00 179.97 180.60 1cea s PHE 35 N -2.61 2.92 0.23 4.08 0.08 -1.26 -4.98 117.98 116.43 1cea s PHE 35 Ca -0.08 -0.88 -0.22 0.00 0.12 0.00 0.00 56.93 55.88 1cea s PHE 35 Cb 0.08 -2.02 0.06 0.00 -0.57 0.00 0.00 43.02 40.56 1cea s PHE 35 CO 0.82 -0.45 0.90 -1.54 -0.10 0.00 0.00 175.22 174.85 1cea s SER 36 N 1.13 -0.12 0.42 1.36 1.04 -1.26 -4.97 113.70 111.30 1cea s SER 36 Ca 0.01 -0.65 0.10 0.00 0.48 0.00 0.00 55.95 55.89 1cea s SER 36 Cb -0.14 0.61 0.93 0.00 0.10 0.00 0.00 66.02 67.52 1cea s SER 36 CO -0.02 -1.17 2.02 -0.65 0.98 0.00 0.00 173.24 174.40 1cea h PRO 37 N 2.00 0.48 -0.05 4.02 0.11 -1.81 0.21 132.00 136.96 1cea h PRO 37 Ca -0.25 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 1cea h PRO 37 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1cea h PRO 37 CO 0.30 0.32 -0.20 0.00 -0.21 0.00 0.00 178.00 178.21 1cea h ALA 38 N 1.72 1.59 0.00 -0.75 0.00 -1.97 -3.29 119.26 116.56 1cea h ALA 38 Ca 0.22 -0.21 -0.39 0.00 0.00 0.00 0.00 54.91 54.54 1cea h ALA 38 Cb 0.24 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1cea h ALA 38 CO -0.06 0.30 -2.44 2.41 0.00 0.00 0.00 179.25 179.47 1cea n THR 39 N -4.27 1.44 -3.31 0.00 -1.04 -0.61 -4.83 114.28 101.66 1cea n THR 39 Ca -0.02 -0.52 -0.26 0.00 -2.04 0.00 0.00 64.05 61.21 1cea n THR 39 Cb 0.28 -1.45 -0.07 0.00 -1.82 0.00 0.00 70.33 67.26 1cea n THR 39 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1cea n HIS 40 N -3.37 2.29 0.36 -1.42 8.25 -0.04 -4.97 115.22 116.32 1cea n HIS 40 Ca -0.46 -3.95 0.14 0.00 -0.26 0.00 0.00 57.72 53.20 1cea n HIS 40 Cb 0.96 -0.48 0.55 0.00 1.12 0.00 0.00 29.99 32.13 1cea n HIS 40 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1cea h PRO 41 N 4.02 0.00 -0.63 -0.41 0.13 -1.79 -3.01 132.00 130.32 1cea h PRO 41 Ca 0.15 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.19 1cea h PRO 41 Cb 0.73 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.81 1cea h PRO 41 CO 0.71 0.00 0.11 -1.13 -0.23 0.00 0.00 178.00 177.45 1cea n SER 42 N -2.61 5.30 -0.42 1.44 3.41 -1.26 -4.25 113.62 115.23 1cea n SER 42 Ca 0.02 -3.06 0.05 0.00 -0.26 0.00 0.00 58.87 55.61 1cea n SER 42 Cb 0.29 -0.70 0.05 0.00 -0.26 0.00 0.00 64.21 63.58 1cea n SER 42 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1cea n GLU 43 N 0.25 0.53 -3.68 4.33 -0.58 -1.14 -5.02 120.64 115.33 1cea n GLU 43 Ca 0.33 -1.15 -0.22 0.00 -0.42 0.00 0.00 57.16 55.69 1cea n GLU 43 Cb 1.26 -1.20 0.05 0.00 -0.57 0.00 0.00 31.44 30.98 1cea n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1cea n GLY 44 N 0.57 -0.37 3.30 0.62 0.00 -1.26 -4.86 105.19 103.19 1cea n GLY 44 Ca 0.06 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1cea n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cea n LEU 45 N -4.40 5.59 -4.68 0.99 4.32 -1.26 -4.94 117.00 112.63 1cea n LEU 45 Ca -0.20 -4.26 -0.32 0.00 -0.02 0.00 0.00 56.01 51.21 1cea n LEU 45 Cb 0.64 -1.65 -0.09 0.00 -1.62 0.00 0.00 43.42 40.70 1cea n LEU 45 CO 0.68 0.69 -0.33 -1.83 -1.22 0.00 0.00 177.39 175.38 1cea s GLU 46 N 2.54 2.76 0.00 3.23 -1.05 -1.26 -4.68 118.70 120.24 1cea s GLU 46 Ca 0.47 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.66 1cea s GLU 46 Cb 0.04 -2.66 0.00 0.00 -0.44 0.00 0.00 34.13 31.07 1cea s GLU 46 CO 0.02 0.62 0.00 0.39 0.95 0.00 0.00 175.26 177.24 1cea n GLU 47 N 1.37 0.00 -0.62 -4.83 -0.58 -1.26 -1.34 120.64 113.38 1cea n GLU 47 Ca -0.14 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.61 1cea n GLU 47 Cb 0.53 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.61 1cea n GLU 47 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1cea n ASN 48 N 1.07 2.88 -4.71 1.62 6.94 -1.26 -1.74 115.26 120.05 1cea n ASN 48 Ca 0.00 -3.48 -0.42 0.00 -0.02 0.00 0.00 54.58 50.66 1cea n ASN 48 Cb 0.00 -0.59 -0.03 0.00 -2.36 0.00 0.00 39.78 36.80 1cea n ASN 48 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1cea s TYR 49 N -3.08 3.38 0.06 -2.53 2.02 -0.45 -4.41 117.35 112.34 1cea s TYR 49 Ca 0.43 1.20 -0.36 0.00 -0.37 0.00 0.00 57.07 57.97 1cea s TYR 49 Cb 0.37 -3.49 -0.15 0.00 -0.40 0.00 0.00 41.96 38.29 1cea s TYR 49 CO 0.03 -1.59 1.54 0.00 -1.57 0.00 0.00 175.55 173.96 1cea n ARG 51 N 3.63 0.38 -3.19 0.00 5.12 -1.00 -4.75 116.66 116.86 1cea n ARG 51 Ca 0.19 -3.03 -0.21 0.00 -1.93 0.00 0.00 57.85 52.87 1cea n ARG 51 Cb 0.24 2.46 -0.05 0.00 -1.16 0.00 0.00 32.46 33.94 1cea n ARG 51 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1cea n ASN 52 N -1.80 0.59 0.21 0.55 2.85 -1.26 -0.38 115.26 116.03 1cea n ASN 52 Ca 0.07 -2.88 0.15 0.00 -0.11 0.00 0.00 54.58 51.80 1cea n ASN 52 Cb 0.55 -0.63 0.76 0.00 1.24 0.00 0.00 39.78 41.70 1cea n ASN 52 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1cea h PRO 53 N 3.46 0.00 -0.01 1.20 0.13 -1.90 -1.74 132.00 133.14 1cea h PRO 53 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1cea h PRO 53 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1cea h PRO 53 CO 0.49 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.86 1cea n ASP 54 N -2.51 2.10 -3.72 1.44 5.75 -1.26 -5.01 116.55 113.33 1cea n ASP 54 Ca -0.02 -2.24 -0.22 0.00 -0.01 0.00 0.00 54.79 52.30 1cea n ASP 54 Cb 0.07 -0.10 0.03 0.00 -1.03 0.00 0.00 41.12 40.09 1cea n ASP 54 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1cea n ASN 55 N -0.69 -1.38 -4.71 -1.12 2.85 -0.65 -4.92 115.26 104.63 1cea n ASN 55 Ca 0.04 -0.85 -0.42 0.00 -0.11 0.00 0.00 54.58 53.24 1cea n ASN 55 Cb 0.34 -3.92 -0.03 0.00 1.24 0.00 0.00 39.78 37.41 1cea n ASN 55 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1cea s ASP 56 N -4.30 7.05 0.59 1.20 -1.08 -1.26 -4.85 116.67 114.03 1cea s ASP 56 Ca 0.04 2.01 0.29 0.00 -0.52 0.00 0.00 52.55 54.37 1cea s ASP 56 Cb -0.01 -2.58 1.63 0.00 -1.46 0.00 0.00 42.92 40.50 1cea s ASP 56 CO 0.82 -0.50 2.05 1.55 0.52 0.00 0.00 175.17 179.61 1cea h PRO 57 N 6.92 0.00 0.00 4.34 0.13 -1.91 -1.02 132.00 140.47 1cea h PRO 57 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1cea h PRO 57 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1cea h PRO 57 CO 0.83 0.00 -0.02 1.96 -0.23 0.00 0.00 178.00 180.54 1cea h GLN 58 N 0.00 0.00 0.00 0.86 4.20 -1.90 -3.45 115.11 114.82 1cea h GLN 58 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1cea h GLN 58 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1cea h GLN 58 CO -0.00 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 1cea n GLY 59 N -0.68 0.96 3.35 3.46 0.00 -0.39 -4.93 105.19 106.96 1cea n GLY 59 Ca -0.02 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 1cea n GLY 59 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cea n PRO 60 N 1.06 0.22 -2.89 1.61 -0.02 -1.26 -4.70 135.00 129.01 1cea n PRO 60 Ca 0.00 0.08 -0.07 0.00 -2.02 0.00 0.00 63.50 61.49 1cea n PRO 60 Cb 0.00 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1cea n PRO 60 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1cea n TRP 61 N -1.22 -1.54 -3.46 6.00 4.27 0.49 -1.44 117.44 120.55 1cea n TRP 61 Ca 0.11 -1.30 -0.12 0.00 -3.89 0.00 0.00 57.50 52.30 1cea n TRP 61 Cb 0.43 0.49 -0.02 0.00 -1.36 0.00 0.00 31.31 30.84 1cea n TRP 61 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1cea s TYR 63 N -3.27 3.37 0.50 0.00 2.02 -1.26 -2.23 117.35 116.48 1cea s TYR 63 Ca 0.01 1.46 -0.13 0.00 -0.37 0.00 0.00 57.07 58.04 1cea s TYR 63 Cb -0.01 -3.23 -0.06 0.00 -0.40 0.00 0.00 41.96 38.25 1cea s TYR 63 CO -0.09 -0.43 0.92 0.99 -1.57 0.00 0.00 175.55 175.36 1cea s THR 64 N 2.96 4.67 -2.12 -0.71 2.01 -1.19 0.20 115.64 121.47 1cea s THR 64 Ca 0.44 0.89 0.20 0.00 0.31 0.00 0.00 61.69 63.53 1cea s THR 64 Cb -0.16 -3.77 0.51 0.00 0.01 0.00 0.00 72.50 69.09 1cea s THR 64 CO 0.08 -0.75 1.66 0.35 -0.69 0.00 0.00 174.62 175.27 1cea n THR 65 N -1.81 0.08 -2.85 -0.82 -2.24 0.02 -4.55 114.28 102.11 1cea n THR 65 Ca 0.05 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1cea n THR 65 Cb 0.54 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 1cea n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cea s ASP 66 N -1.59 6.74 0.50 3.42 2.15 -1.26 -4.87 116.67 121.76 1cea s ASP 66 Ca 0.30 0.78 0.16 0.00 0.43 0.00 0.00 52.55 54.22 1cea s ASP 66 Cb 0.15 -2.45 1.22 0.00 -0.30 0.00 0.00 42.92 41.54 1cea s ASP 66 CO 0.24 -0.69 2.10 1.55 -0.17 0.00 0.00 175.17 178.20 1cea h PRO 67 N 8.10 0.10 -0.38 4.34 0.14 -1.95 -3.01 132.00 139.34 1cea h PRO 67 Ca -0.23 -0.01 0.00 0.00 0.14 0.00 0.00 66.00 65.90 1cea h PRO 67 Cb 1.09 -0.02 0.00 0.00 0.14 0.00 0.00 31.00 32.20 1cea h PRO 67 CO 0.93 0.06 0.00 0.39 0.14 0.00 0.00 178.00 179.52 1cea n GLU 68 N -4.50 1.92 -3.38 0.86 4.71 -1.26 -4.50 120.64 114.49 1cea n GLU 68 Ca 0.01 -1.42 -0.19 0.00 -0.01 0.00 0.00 57.16 55.55 1cea n GLU 68 Cb 0.19 -1.32 -0.09 0.00 -1.01 0.00 0.00 31.44 29.21 1cea n GLU 68 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1cea s LYS 69 N -1.50 0.60 0.09 3.49 2.47 -1.14 -5.07 119.74 118.68 1cea s LYS 69 Ca 0.28 -0.88 -0.25 0.00 -1.56 0.00 0.00 55.97 53.55 1cea s LYS 69 Cb 0.14 -0.82 -0.13 0.00 -1.46 0.00 0.00 37.83 35.56 1cea s LYS 69 CO 0.19 -1.18 1.70 -0.09 0.16 0.00 0.00 175.35 176.13 1cea h ARG 70 N 7.16 -0.25 -4.08 4.03 2.43 -1.79 -3.38 114.38 118.50 1cea h ARG 70 Ca 0.03 0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 59.02 1cea h ARG 70 Cb 1.04 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.55 1cea h ARG 70 CO 0.22 -0.16 -0.26 1.52 -1.51 0.00 0.00 179.97 179.78 1cea s TYR 71 N -6.15 0.87 -0.17 2.20 1.13 -1.26 -3.15 117.35 110.82 1cea s TYR 71 Ca -0.14 -1.13 -0.31 0.00 -1.41 0.00 0.00 57.07 54.07 1cea s TYR 71 Cb 0.06 -0.11 0.14 0.00 -1.10 0.00 0.00 41.96 40.95 1cea s TYR 71 CO 0.65 -0.98 1.13 0.34 -2.51 0.00 0.00 175.55 174.18 1cea s ASP 72 N -3.15 -0.22 0.28 -0.18 2.15 -0.95 -4.92 116.67 109.67 1cea s ASP 72 Ca 0.30 0.14 -0.26 0.00 0.43 0.00 0.00 52.55 53.16 1cea s ASP 72 Cb 0.01 0.21 -0.09 0.00 -0.30 0.00 0.00 42.92 42.74 1cea s ASP 72 CO 0.15 -0.28 0.91 -0.31 -0.17 0.00 0.00 175.17 175.47 1cea s TYR 73 N -1.79 3.77 0.26 -5.34 2.02 -1.26 -1.43 117.35 113.58 1cea s TYR 73 Ca 0.05 1.76 0.05 0.00 -0.37 0.00 0.00 57.07 58.56 1cea s TYR 73 Cb -0.01 -2.89 -0.03 0.00 -0.40 0.00 0.00 41.96 38.64 1cea s TYR 73 CO -0.04 0.30 0.39 0.00 -1.57 0.00 0.00 175.55 174.63 1cea s ASP 75 N -4.02 5.73 -0.11 0.00 -1.08 -1.26 -4.73 116.67 111.21 1cea s ASP 75 Ca 0.36 -2.29 -0.02 0.00 -0.52 0.00 0.00 52.55 50.09 1cea s ASP 75 Cb -0.09 -1.99 -0.03 0.00 -1.46 0.00 0.00 42.92 39.34 1cea s ASP 75 CO 0.30 -0.58 -0.04 -0.63 0.52 0.00 0.00 175.17 174.73 1cea s ILE 76 N 0.79 3.94 0.13 4.11 -1.09 -1.26 -5.01 121.20 122.82 1cea s ILE 76 Ca 0.11 -0.37 -0.25 0.00 -2.23 0.00 0.00 60.65 57.90 1cea s ILE 76 Cb -0.22 -2.67 -0.07 0.00 -1.58 0.00 0.00 42.46 37.92 1cea s ILE 76 CO -0.03 0.56 0.78 -0.76 -1.23 0.00 0.00 174.94 174.26 1cea s LEU 77 N -0.36 4.55 0.27 2.97 1.02 -1.26 -4.79 118.68 121.08 1cea s LEU 77 Ca 0.06 1.60 -0.30 0.00 0.02 0.00 0.00 54.13 55.51 1cea s LEU 77 Cb -0.12 -3.29 -0.11 0.00 0.02 0.00 0.00 46.19 42.68 1cea s LEU 77 CO 0.02 0.15 1.59 -1.61 0.02 0.00 0.00 176.35 176.52 1cea s GLU 78 N -0.80 4.14 0.00 1.70 0.41 -1.26 0.27 118.70 123.16 1cea s GLU 78 Ca 0.37 2.55 0.30 0.00 -0.41 0.00 0.00 54.97 57.77 1cea s GLU 78 Cb -0.22 -3.04 1.38 0.00 -1.78 0.00 0.00 34.13 30.46 1cea s GLU 78 CO 0.26 -0.62 1.93 0.00 -0.49 0.00 0.00 175.26 176.33