#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 -1.46 1.21 0.03 0.00 2.20 0.42 -4.67 119.74 117.47 1cea s LYS 2 Ca 0.16 -1.23 0.06 0.00 -0.36 0.00 0.00 55.97 54.60 1cea s LYS 2 Cb -0.11 -1.53 -0.02 0.00 -1.51 0.00 0.00 37.83 34.66 1cea s LYS 2 CO 0.07 0.35 -0.19 -0.08 -0.36 0.00 0.00 175.35 175.15 1cea s THR 3 N -1.20 1.50 0.00 3.43 -1.32 -1.26 0.12 115.64 116.91 1cea s THR 3 Ca 0.09 -1.06 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 1cea s THR 3 Cb -0.10 -1.30 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 1cea s THR 3 CO 0.05 0.21 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 1cea n GLY 4 N 2.03 3.51 0.34 6.08 0.00 -1.26 -0.83 105.19 115.06 1cea n GLY 4 Ca -0.17 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 5.06 1.03 -1.52 1.61 0.23 -1.26 -4.87 115.26 115.54 1cea n ASN 5 Ca 0.00 -1.53 -0.10 0.00 -0.53 0.00 0.00 54.58 52.42 1cea n ASN 5 Cb 0.00 -0.05 0.02 0.00 -2.08 0.00 0.00 39.78 37.67 1cea n ASN 5 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cea n GLY 6 N 1.03 0.13 0.27 4.83 0.00 -0.01 -3.54 105.19 107.90 1cea n GLY 6 Ca 0.17 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.65 0.89 -0.43 1.61 3.11 -1.86 -2.87 116.57 116.37 1cea h LYS 7 Ca -0.25 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.51 1cea h LYS 7 Cb 1.17 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.21 1cea h LYS 7 CO 0.26 0.64 0.00 0.09 -2.81 0.00 0.00 179.45 177.63 1cea n ASN 8 N -4.57 2.76 -4.71 4.20 5.03 -1.26 -4.77 115.26 111.94 1cea n ASN 8 Ca 0.05 -1.94 -0.42 0.00 0.87 0.00 0.00 54.58 53.14 1cea n ASN 8 Cb 0.06 -0.28 -0.03 0.00 -1.02 0.00 0.00 39.78 38.50 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 -1.43 2.88 -0.07 3.10 5.04 -1.08 -4.91 117.35 120.88 1cea s TYR 9 Ca 0.36 0.55 0.14 0.00 -2.44 0.00 0.00 57.07 55.68 1cea s TYR 9 Cb 0.19 -3.92 0.27 0.00 0.35 0.00 0.00 41.96 38.85 1cea s TYR 9 CO 0.26 -3.49 1.13 0.54 -1.34 0.00 0.00 175.55 172.65 1cea n ARG 10 N 4.45 0.59 -1.02 4.97 5.12 -1.26 -4.88 116.66 124.63 1cea n ARG 10 Ca 0.14 -2.09 -0.30 0.00 -1.93 0.00 0.00 57.85 53.67 1cea n ARG 10 Cb 0.39 -0.79 0.25 0.00 -1.16 0.00 0.00 32.46 31.16 1cea n ARG 10 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1cea s GLY 11 N -2.14 1.57 -0.19 -0.13 0.00 -1.26 -4.99 107.32 100.19 1cea s GLY 11 Ca 0.24 -1.04 0.13 0.00 0.00 0.00 0.00 44.72 44.06 1cea s GLY 11 CO -0.06 -0.10 1.21 -1.30 0.00 0.00 0.00 173.10 172.85 1cea n THR 12 N -4.92 1.89 -1.76 0.90 -2.24 -1.26 -4.76 114.28 102.13 1cea n THR 12 Ca 0.15 -2.98 -0.40 0.00 -2.27 0.00 0.00 64.05 58.54 1cea n THR 12 Cb 0.60 -0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.74 1cea n THR 12 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1cea n MET 13 N -0.84 2.28 -0.38 -0.78 2.81 -1.26 -4.86 117.12 114.09 1cea n MET 13 Ca 0.19 0.81 0.05 0.00 -1.81 0.00 0.00 57.70 56.94 1cea n MET 13 Cb 0.78 -2.62 0.07 0.00 -0.71 0.00 0.00 33.22 30.74 1cea n MET 13 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1cea n SER 14 N -0.09 1.15 -3.94 7.83 3.41 -1.26 -1.46 113.62 119.25 1cea n SER 14 Ca 0.05 -2.57 -0.10 0.00 -0.26 0.00 0.00 58.87 55.99 1cea n SER 14 Cb 0.41 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 1cea n SER 14 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1cea s LYS 15 N -1.40 0.37 0.85 4.33 1.02 -1.26 -2.09 119.74 121.57 1cea s LYS 15 Ca 0.18 -0.52 -0.13 0.00 0.02 0.00 0.00 55.97 55.52 1cea s LYS 15 Cb 0.16 0.14 0.11 0.00 -0.52 0.00 0.00 37.83 37.72 1cea s LYS 15 CO -0.00 -0.07 1.19 0.95 -0.92 0.00 0.00 175.35 176.50 1cea s THR 16 N -1.41 1.99 0.58 2.17 -4.23 -0.48 -4.71 115.64 109.54 1cea s THR 16 Ca -0.15 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.64 1cea s THR 16 Cb -0.09 -2.96 0.38 0.00 1.34 0.00 0.00 72.50 71.17 1cea s THR 16 CO -0.00 0.00 1.97 0.07 -0.54 0.00 0.00 174.62 176.12 1cea h LYS 17 N -1.23 0.00 -0.01 3.99 2.10 -1.47 0.75 116.57 120.71 1cea h LYS 17 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1cea h LYS 17 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1cea h LYS 17 CO 0.61 0.00 -0.20 0.09 -2.00 0.00 0.00 179.45 177.95 1cea n ASN 18 N -3.88 0.72 0.00 7.07 5.03 -1.26 -4.94 115.26 118.01 1cea n ASN 18 Ca 0.07 -0.68 0.00 0.00 0.87 0.00 0.00 54.58 54.84 1cea n ASN 18 Cb 0.56 0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.36 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 1.33 0.63 3.76 7.41 0.00 0.26 -5.03 105.19 113.55 1cea n GLY 19 Ca 0.13 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.00 5.25 0.28 -0.61 1.10 -1.26 -4.82 121.20 119.14 1cea s ILE 20 Ca 0.00 0.64 -0.29 0.00 -0.51 0.00 0.00 60.65 60.49 1cea s ILE 20 Cb 0.00 -3.66 -0.10 0.00 0.15 0.00 0.00 42.46 38.86 1cea s ILE 20 CO 0.00 0.44 1.13 0.28 -2.11 0.00 0.00 174.94 174.69 1cea s THR 21 N 0.01 3.37 0.55 4.00 -1.32 -1.26 -1.38 115.64 119.61 1cea s THR 21 Ca 0.19 1.37 -0.19 0.00 -1.21 0.00 0.00 61.69 61.86 1cea s THR 21 Cb -0.14 -3.87 -0.06 0.00 -1.51 0.00 0.00 72.50 66.92 1cea s THR 21 CO 0.07 0.32 1.11 0.00 -2.21 0.00 0.00 174.62 173.91 1cea s GLN 23 N -3.38 3.72 0.11 0.00 0.74 0.39 -4.70 119.66 116.54 1cea s GLN 23 Ca 0.71 0.11 -0.31 0.00 0.05 0.00 0.00 55.36 55.92 1cea s GLN 23 Cb -0.22 -2.81 -0.07 0.00 1.10 0.00 0.00 33.01 31.01 1cea s GLN 23 CO 0.27 0.43 1.29 0.15 -0.55 0.00 0.00 175.29 176.89 1cea s LYS 24 N -2.54 4.39 0.36 1.67 -0.14 -1.26 -4.40 119.74 117.83 1cea s LYS 24 Ca 0.41 1.94 0.09 0.00 -1.36 0.00 0.00 55.97 57.05 1cea s LYS 24 Cb -0.12 -3.28 0.82 0.00 -1.68 0.00 0.00 37.83 33.57 1cea s LYS 24 CO 0.22 -0.31 1.89 -1.49 -0.76 0.00 0.00 175.35 174.90 1cea h TRP 25 N 6.46 0.78 0.00 3.18 4.06 -0.92 -0.31 115.95 129.21 1cea h TRP 25 Ca -0.42 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.55 1cea h TRP 25 Cb 1.21 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 29.12 1cea h TRP 25 CO 0.65 0.32 0.00 -1.13 -3.56 0.00 0.00 178.44 174.72 1cea n SER 26 N -4.53 0.00 -4.85 -3.49 3.41 -1.26 -4.58 113.62 98.31 1cea n SER 26 Ca 0.16 -0.73 -0.23 0.00 -0.26 0.00 0.00 58.87 57.81 1cea n SER 26 Cb 0.42 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.89 5.71 -0.20 4.04 0.15 -0.13 -5.04 113.70 116.35 1cea s SER 27 Ca 0.24 -0.15 0.12 0.00 0.70 0.00 0.00 55.95 56.87 1cea s SER 27 Cb 0.11 -1.52 0.43 0.00 -1.71 0.00 0.00 66.02 63.33 1cea s SER 27 CO 0.19 -0.02 1.21 0.35 1.20 0.00 0.00 173.24 176.16 1cea n THR 28 N -1.07 1.98 -3.63 6.45 -2.24 -1.26 -4.27 114.28 110.23 1cea n THR 28 Ca -0.08 -3.09 -0.13 0.00 -2.27 0.00 0.00 64.05 58.47 1cea n THR 28 Cb 0.57 -0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 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 -3.15 -0.74 0.31 3.42 0.15 -1.26 -3.90 113.70 108.53 1cea s SER 29 Ca 0.39 1.41 0.26 0.00 0.70 0.00 0.00 55.95 58.71 1cea s SER 29 Cb 0.38 1.43 1.00 0.00 -1.71 0.00 0.00 66.02 67.11 1cea s SER 29 CO -0.07 -0.24 1.77 1.55 1.20 0.00 0.00 173.24 177.44 1cea h PRO 30 N 5.04 0.00 -5.27 5.44 0.13 -1.92 -3.47 132.00 131.96 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 1.16 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.03 1cea h PRO 30 CO 0.06 0.00 -0.75 -1.01 -0.23 0.00 0.00 178.00 176.07 1cea s HIS 31 N -3.34 2.86 -0.39 1.56 3.76 -1.26 -4.97 115.29 113.51 1cea s HIS 31 Ca 0.05 -0.65 -0.29 0.00 -0.15 0.00 0.00 55.06 54.02 1cea s HIS 31 Cb 0.10 -1.89 0.01 0.00 1.11 0.00 0.00 32.58 31.90 1cea s HIS 31 CO 0.46 -0.24 1.37 0.50 -0.85 0.00 0.00 174.74 175.98 1cea s ARG 32 N 0.51 3.66 0.40 1.40 3.52 -1.25 -4.38 118.95 122.80 1cea s ARG 32 Ca -0.08 0.99 -0.27 0.00 -0.13 0.00 0.00 55.73 56.24 1cea s ARG 32 Cb -0.15 -3.98 -0.09 0.00 -1.56 0.00 0.00 34.95 29.16 1cea s ARG 32 CO 0.04 -1.45 1.39 -2.14 -0.81 0.00 0.00 175.30 172.32 1cea s PRO 33 N 4.73 3.99 0.00 5.12 0.02 -1.26 -4.91 135.00 142.70 1cea s PRO 33 Ca 0.59 2.35 0.20 0.00 0.02 0.00 0.00 61.00 64.16 1cea s PRO 33 Cb -0.14 -2.84 -0.15 0.00 0.02 0.00 0.00 34.50 31.39 1cea s PRO 33 CO 0.30 -0.54 0.89 -2.13 -0.33 0.00 0.00 177.00 175.19 1cea n ARG 34 N 0.24 0.77 -4.36 5.54 0.63 -1.26 -4.82 116.66 113.39 1cea n ARG 34 Ca 0.03 -0.28 -0.31 0.00 -0.92 0.00 0.00 57.85 56.38 1cea n ARG 34 Cb 0.42 -1.42 -0.16 0.00 0.45 0.00 0.00 32.46 31.74 1cea n ARG 34 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1cea s PHE 35 N -2.70 2.31 0.15 -0.14 0.40 -1.26 -5.01 117.98 111.72 1cea s PHE 35 Ca 0.10 -1.20 -0.25 0.00 -0.60 0.00 0.00 56.93 54.98 1cea s PHE 35 Cb 0.15 -1.63 0.07 0.00 0.51 0.00 0.00 43.02 42.12 1cea s PHE 35 CO 0.72 -0.60 1.01 -1.54 0.70 0.00 0.00 175.22 175.51 1cea s SER 36 N 1.11 -0.13 0.26 1.36 1.04 -1.26 -4.98 113.70 111.11 1cea s SER 36 Ca -0.02 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 55.95 1cea s SER 36 Cb -0.14 0.46 0.54 0.00 0.10 0.00 0.00 66.02 66.98 1cea s SER 36 CO -0.05 -0.87 1.74 1.55 0.98 0.00 0.00 173.24 176.59 1cea h PRO 37 N 2.00 0.52 -0.68 4.02 0.14 -1.81 0.42 132.00 136.61 1cea h PRO 37 Ca -0.25 -0.03 -0.03 0.00 0.14 0.00 0.00 66.00 65.82 1cea h PRO 37 Cb 1.23 -0.12 -0.03 0.00 0.14 0.00 0.00 31.00 32.22 1cea h PRO 37 CO 0.28 0.35 0.30 0.00 0.14 0.00 0.00 178.00 179.07 1cea h ALA 38 N 1.58 1.24 0.00 -0.56 0.00 -1.96 -3.13 119.26 116.43 1cea h ALA 38 Ca 0.46 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1cea h ALA 38 Cb 0.71 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1cea h ALA 38 CO -0.40 0.57 -1.45 2.41 0.00 0.00 0.00 179.25 180.38 1cea n THR 39 N -4.32 0.59 -3.19 0.00 -1.04 -0.92 -4.56 114.28 100.84 1cea n THR 39 Ca 0.06 -0.58 -0.22 0.00 -2.04 0.00 0.00 64.05 61.28 1cea n THR 39 Cb 0.15 -0.32 -0.05 0.00 -1.82 0.00 0.00 70.33 68.29 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 -2.60 0.24 -0.09 -1.42 8.25 0.14 -4.91 115.22 114.83 1cea n HIS 40 Ca -0.05 -3.72 0.21 0.00 -0.26 0.00 0.00 57.72 53.90 1cea n HIS 40 Cb 0.64 -0.40 0.64 0.00 1.12 0.00 0.00 29.99 32.00 1cea n HIS 40 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1cea h PRO 41 N 3.54 0.13 -0.40 -0.41 0.11 -1.75 -1.76 132.00 131.46 1cea h PRO 41 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1cea h PRO 41 Cb 0.89 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1cea h PRO 41 CO 0.51 0.08 0.00 -1.13 -0.21 0.00 0.00 178.00 177.25 1cea n SER 42 N -4.39 2.93 -0.55 -2.05 3.41 -1.26 -4.39 113.62 107.31 1cea n SER 42 Ca 0.13 -1.93 0.11 0.00 -0.26 0.00 0.00 58.87 56.93 1cea n SER 42 Cb 0.67 -0.26 0.40 0.00 -0.26 0.00 0.00 64.21 64.76 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 1.12 1.73 -3.18 4.33 -0.58 -0.66 -4.96 120.64 118.45 1cea n GLU 43 Ca 0.19 -1.09 -0.23 0.00 -0.42 0.00 0.00 57.16 55.60 1cea n GLU 43 Cb 0.50 -1.41 0.04 0.00 -0.57 0.00 0.00 31.44 30.00 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 1.15 -0.52 2.39 0.62 0.00 -1.26 -4.86 105.19 102.71 1cea n GLY 44 Ca 0.17 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.17 5.71 -4.69 0.99 4.32 -1.26 -4.94 117.00 112.96 1cea n LEU 45 Ca -0.08 -3.19 -0.42 0.00 -0.02 0.00 0.00 56.01 52.30 1cea n LEU 45 Cb 0.60 -1.21 -0.03 0.00 -1.62 0.00 0.00 43.42 41.16 1cea n LEU 45 CO 0.52 1.17 0.93 -1.61 -1.22 0.00 0.00 177.39 177.17 1cea s GLU 46 N 2.54 4.37 5.83 3.23 2.02 -1.26 -4.57 118.70 130.86 1cea s GLU 46 Ca 0.51 1.67 0.00 0.00 0.02 0.00 0.00 54.97 57.17 1cea s GLU 46 Cb 0.16 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1cea s GLU 46 CO -0.03 -0.40 0.00 0.39 0.02 0.00 0.00 175.26 175.23 1cea n GLU 47 N 4.98 0.00 -1.49 1.61 -0.58 -1.26 -2.21 120.64 121.69 1cea n GLU 47 Ca 0.10 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.79 1cea n GLU 47 Cb 0.46 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.43 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 4.75 2.66 -4.88 1.62 6.94 -1.26 -0.31 115.26 124.78 1cea n ASN 48 Ca 0.00 -3.33 -0.30 0.00 -0.02 0.00 0.00 54.58 50.93 1cea n ASN 48 Cb 0.00 -0.43 -0.01 0.00 -2.36 0.00 0.00 39.78 36.98 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 -2.95 3.54 0.14 -2.53 2.02 -0.94 -4.57 117.35 112.07 1cea s TYR 49 Ca 0.40 1.11 -0.30 0.00 -0.37 0.00 0.00 57.07 57.91 1cea s TYR 49 Cb 0.38 -2.53 -0.07 0.00 -0.40 0.00 0.00 41.96 39.34 1cea s TYR 49 CO -0.04 -0.37 1.06 0.00 -1.57 0.00 0.00 175.55 174.63 1cea s ARG 51 N -0.11 0.56 -0.61 0.00 1.81 -0.77 -4.76 118.95 115.06 1cea s ARG 51 Ca 0.49 -0.60 0.06 0.00 -1.72 0.00 0.00 55.73 53.96 1cea s ARG 51 Cb -0.27 0.22 0.26 0.00 -0.45 0.00 0.00 34.95 34.72 1cea s ARG 51 CO 0.33 -0.14 0.76 -1.71 -0.68 0.00 0.00 175.30 173.86 1cea n ASN 52 N 1.03 3.65 -0.17 0.23 2.85 -1.26 -0.27 115.26 121.31 1cea n ASN 52 Ca -0.21 -3.44 0.00 0.00 -0.11 0.00 0.00 54.58 50.83 1cea n ASN 52 Cb 0.57 -0.65 0.25 0.00 1.24 0.00 0.00 39.78 41.19 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 3.98 0.91 -0.10 1.20 0.13 -1.92 -1.32 132.00 134.89 1cea h PRO 53 Ca 0.18 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1cea h PRO 53 Cb 0.65 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1cea h PRO 53 CO 0.81 0.64 0.00 -0.40 -0.23 0.00 0.00 178.00 178.82 1cea n ASP 54 N -4.40 2.64 -3.08 1.44 5.75 -1.26 -4.95 116.55 112.70 1cea n ASP 54 Ca 0.07 -1.87 -0.21 0.00 -0.01 0.00 0.00 54.79 52.78 1cea n ASP 54 Cb 0.07 -0.05 0.06 0.00 -1.03 0.00 0.00 41.12 40.18 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 1.04 -5.76 -4.75 -1.12 2.85 -0.50 -4.89 115.26 102.12 1cea n ASN 55 Ca 0.16 -0.42 -0.41 0.00 -0.11 0.00 0.00 54.58 53.79 1cea n ASN 55 Cb 0.53 -4.42 -0.02 0.00 1.24 0.00 0.00 39.78 37.11 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 -3.17 6.52 0.38 1.20 -1.08 -1.26 -4.88 116.67 114.38 1cea s ASP 56 Ca 0.46 2.81 0.27 0.00 -0.52 0.00 0.00 52.55 55.57 1cea s ASP 56 Cb -0.20 -2.63 1.35 0.00 -1.46 0.00 0.00 42.92 39.97 1cea s ASP 56 CO 0.57 -0.79 1.81 1.55 0.52 0.00 0.00 175.17 178.84 1cea h PRO 57 N 4.64 0.00 -0.00 4.34 0.13 -1.93 0.27 132.00 139.45 1cea h PRO 57 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1cea h PRO 57 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1cea h PRO 57 CO 0.76 0.00 -0.10 1.04 -0.23 0.00 0.00 178.00 179.47 1cea n GLN 58 N -2.45 0.43 0.00 0.86 6.02 -1.26 -4.92 117.38 116.06 1cea n GLN 58 Ca -0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1cea n GLN 58 Cb 0.11 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1cea n GLN 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cea n GLY 59 N 1.34 -2.15 3.76 1.08 0.00 0.95 -4.91 105.19 105.26 1cea n GLY 59 Ca 0.12 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 1cea n GLY 59 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1cea s PRO 60 N -0.61 4.13 0.35 1.61 0.02 -1.23 -4.66 135.00 134.61 1cea s PRO 60 Ca 0.00 2.55 0.06 0.00 0.02 0.00 0.00 61.00 63.63 1cea s PRO 60 Cb 0.00 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.47 1cea s PRO 60 CO 0.00 -0.59 0.23 1.67 -0.33 0.00 0.00 177.00 177.98 1cea s TRP 61 N -0.26 1.74 0.09 6.54 1.48 0.63 -0.03 118.94 129.13 1cea s TRP 61 Ca 0.60 -1.56 -0.25 0.00 -1.06 0.00 0.00 56.10 53.83 1cea s TRP 61 Cb -0.47 -0.83 0.07 0.00 -1.16 0.00 0.00 33.47 31.09 1cea s TRP 61 CO 0.51 -0.71 0.65 0.00 -4.06 0.00 0.00 176.95 173.33 1cea s TYR 63 N -3.09 2.99 0.23 0.00 1.51 -1.26 -1.95 117.35 115.78 1cea s TYR 63 Ca -0.01 1.57 0.07 0.00 -1.01 0.00 0.00 57.07 57.68 1cea s TYR 63 Cb -0.01 -3.27 -0.04 0.00 -0.11 0.00 0.00 41.96 38.53 1cea s TYR 63 CO -0.07 -1.19 0.18 0.99 -1.11 0.00 0.00 175.55 174.34 1cea s THR 64 N -1.62 4.43 -2.05 -0.71 2.01 -0.04 0.15 115.64 117.80 1cea s THR 64 Ca 0.63 -1.35 0.17 0.00 0.31 0.00 0.00 61.69 61.45 1cea s THR 64 Cb -0.25 -3.36 0.46 0.00 0.01 0.00 0.00 72.50 69.35 1cea s THR 64 CO 0.31 -0.30 1.60 0.35 -0.69 0.00 0.00 174.62 175.89 1cea n THR 65 N -0.99 0.05 -3.48 -0.82 -2.24 -0.32 -4.49 114.28 102.00 1cea n THR 65 Ca -0.08 -0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.24 1cea n THR 65 Cb 0.57 -0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.51 6.15 0.65 3.42 -1.08 -1.26 -4.93 116.67 118.11 1cea s ASP 66 Ca 0.26 0.16 0.38 0.00 -0.52 0.00 0.00 52.55 52.83 1cea s ASP 66 Cb 0.12 -2.17 2.09 0.00 -1.46 0.00 0.00 42.92 41.50 1cea s ASP 66 CO 0.20 -0.12 2.22 -0.65 0.52 0.00 0.00 175.17 177.34 1cea h PRO 67 N 8.25 0.00 -0.03 4.34 0.11 -1.93 -1.80 132.00 140.94 1cea h PRO 67 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1cea h PRO 67 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1cea h PRO 67 CO 0.60 0.00 -0.08 0.39 -0.21 0.00 0.00 178.00 178.70 1cea n GLU 68 N -3.21 2.09 -3.79 1.05 1.02 -1.26 -4.65 120.64 111.88 1cea n GLU 68 Ca -0.02 -1.74 -0.30 0.00 -0.02 0.00 0.00 57.16 55.08 1cea n GLU 68 Cb 0.18 -1.45 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 1cea n GLU 68 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1cea s LYS 69 N -2.05 1.36 0.15 3.49 2.47 -0.67 -5.02 119.74 119.47 1cea s LYS 69 Ca 0.26 -1.99 -0.17 0.00 -1.56 0.00 0.00 55.97 52.51 1cea s LYS 69 Cb 0.19 -2.55 0.04 0.00 -1.46 0.00 0.00 37.83 34.05 1cea s LYS 69 CO 0.34 -1.11 1.74 -0.09 0.16 0.00 0.00 175.35 176.39 1cea h ARG 70 N 6.94 0.19 -3.24 4.03 2.43 -1.83 -3.33 114.38 119.58 1cea h ARG 70 Ca -0.04 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 1cea h ARG 70 Cb 0.94 -0.04 -0.15 0.00 -0.42 0.00 0.00 29.97 30.29 1cea h ARG 70 CO 0.52 0.13 -0.14 1.52 -1.51 0.00 0.00 179.97 180.49 1cea s TYR 71 N -6.17 -0.19 0.02 2.20 1.13 -1.26 -0.86 117.35 112.23 1cea s TYR 71 Ca -0.13 0.02 -0.24 0.00 -1.41 0.00 0.00 57.07 55.32 1cea s TYR 71 Cb 0.11 0.18 0.05 0.00 -1.10 0.00 0.00 41.96 41.21 1cea s TYR 71 CO 0.70 -0.59 0.54 0.34 -2.51 0.00 0.00 175.55 174.03 1cea s ASP 72 N -2.29 -0.47 0.42 -0.18 2.15 -0.82 -4.90 116.67 110.57 1cea s ASP 72 Ca -0.02 0.28 -0.21 0.00 0.43 0.00 0.00 52.55 53.03 1cea s ASP 72 Cb 0.00 0.49 -0.11 0.00 -0.30 0.00 0.00 42.92 43.00 1cea s ASP 72 CO -0.06 -0.68 0.95 -0.31 -0.17 0.00 0.00 175.17 174.90 1cea s TYR 73 N -2.11 3.33 0.34 -5.34 2.02 -1.26 -1.21 117.35 113.11 1cea s TYR 73 Ca -0.07 1.61 0.09 0.00 -0.37 0.00 0.00 57.07 58.33 1cea s TYR 73 Cb -0.01 -2.85 -0.05 0.00 -0.40 0.00 0.00 41.96 38.65 1cea s TYR 73 CO 0.01 -0.09 0.06 0.00 -1.57 0.00 0.00 175.55 173.96 1cea s ASP 75 N -3.77 6.02 0.11 0.00 1.11 -1.26 -4.65 116.67 114.23 1cea s ASP 75 Ca 0.36 -2.88 -0.10 0.00 0.18 0.00 0.00 52.55 50.11 1cea s ASP 75 Cb -0.01 -2.03 -0.06 0.00 1.07 0.00 0.00 42.92 41.89 1cea s ASP 75 CO 0.21 -0.44 0.43 -0.63 1.18 0.00 0.00 175.17 175.92 1cea s ILE 76 N -0.11 5.05 0.24 0.77 -1.09 -1.26 -5.03 121.20 119.78 1cea s ILE 76 Ca 0.19 0.45 -0.18 0.00 -2.23 0.00 0.00 60.65 58.88 1cea s ILE 76 Cb -0.15 -3.65 -0.08 0.00 -1.58 0.00 0.00 42.46 37.00 1cea s ILE 76 CO -0.06 0.21 0.70 -0.76 -1.23 0.00 0.00 174.94 173.80 1cea s LEU 77 N -2.12 4.26 0.07 2.97 1.02 -0.48 -4.77 118.68 119.63 1cea s LEU 77 Ca 0.36 1.33 -0.31 0.00 0.02 0.00 0.00 54.13 55.54 1cea s LEU 77 Cb -0.13 -3.68 -0.08 0.00 0.02 0.00 0.00 46.19 42.31 1cea s LEU 77 CO 0.19 -0.02 1.66 -0.70 0.02 0.00 0.00 176.35 177.50 1cea s GLU 78 N -2.26 4.19 0.00 1.70 -6.30 -1.26 0.16 118.70 114.94 1cea s GLU 78 Ca 0.45 2.34 0.00 0.00 -2.50 0.00 0.00 54.97 55.26 1cea s GLU 78 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 34.13 30.37 1cea s GLU 78 CO 0.20 -0.74 0.31 0.00 0.02 0.00 0.00 175.26 175.05