#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9j n PRO 2 N 0.00 2.20 -1.30 0.00 -0.02 -1.26 -4.82 135.00 129.79 1e9j n PRO 2 Ca 0.00 -1.81 0.09 0.00 -2.02 0.00 0.00 63.50 59.75 1e9j n PRO 2 Cb 0.00 -2.75 -0.05 0.00 -0.02 0.00 0.00 33.50 30.69 1e9j n PRO 2 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1e9j n ASP 3 N 5.40 -7.03 -3.66 2.55 2.03 -1.26 -4.82 116.55 109.76 1e9j n ASP 3 Ca 0.51 1.43 -0.34 0.00 0.52 0.00 0.00 54.79 56.91 1e9j n ASP 3 Cb 0.26 -4.30 0.01 0.00 -0.72 0.00 0.00 41.12 36.36 1e9j n ASP 3 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1e9j n VAL 4 N -3.37 0.05 -3.39 5.18 0.24 -1.26 -4.96 118.33 110.82 1e9j n VAL 4 Ca -0.05 -0.43 -0.22 0.00 -2.04 0.00 0.00 64.34 61.60 1e9j n VAL 4 Cb 0.52 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.80 1e9j n VAL 4 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1e9j s GLN 5 N -0.86 0.63 -0.26 7.34 0.74 -1.26 -4.98 119.66 121.00 1e9j s GLN 5 Ca 0.49 -1.13 0.09 0.00 0.05 0.00 0.00 55.36 54.86 1e9j s GLN 5 Cb -0.44 -0.97 0.44 0.00 1.10 0.00 0.00 33.01 33.14 1e9j s GLN 5 CO 0.57 -1.22 1.22 -0.25 -0.55 0.00 0.00 175.29 175.06 1e9j n ASP 6 N 4.04 3.56 -3.64 6.67 8.00 -1.26 -4.99 116.55 128.93 1e9j n ASP 6 Ca 0.13 -3.82 -0.06 0.00 0.71 0.00 0.00 54.79 51.75 1e9j n ASP 6 Cb 0.42 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 1e9j n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1e9j n PRO 8 N 3.47 1.03 -4.09 0.00 -0.04 -1.26 -4.76 135.00 129.36 1e9j n PRO 8 Ca -0.17 -0.21 -0.10 0.00 -0.04 0.00 0.00 63.50 62.98 1e9j n PRO 8 Cb 0.57 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.64 1e9j n PRO 8 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1e9j s GLU 9 N 0.62 0.99 -1.27 0.54 2.12 -1.26 -4.86 118.70 115.58 1e9j s GLU 9 Ca 0.14 -1.35 -0.02 0.00 0.36 0.00 0.00 54.97 54.10 1e9j s GLU 9 Cb 0.07 0.28 0.01 0.00 0.26 0.00 0.00 34.13 34.75 1e9j s GLU 9 CO 0.00 -0.30 0.97 0.00 -0.54 0.00 0.00 175.26 175.39 1e9j n THR 11 N -4.35 0.00 0.00 0.00 5.66 -1.26 -4.80 114.28 109.53 1e9j n THR 11 Ca -0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1e9j n THR 11 Cb 0.64 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 1e9j n THR 11 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1e9j n LEU 12 N -1.24 0.00 -2.69 1.09 4.32 -1.26 -4.82 117.00 112.40 1e9j n LEU 12 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.66 1e9j n LEU 12 Cb 0.00 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1e9j n LEU 12 CO 0.00 0.00 1.56 0.00 -1.22 0.00 0.00 177.39 177.73 1e9j n GLN 13 N 0.82 2.57 0.00 3.23 6.02 -1.26 -4.82 117.38 123.94 1e9j n GLN 13 Ca 0.00 -2.94 0.00 0.00 -0.01 0.00 0.00 57.00 54.05 1e9j n GLN 13 Cb 0.00 -2.20 0.00 0.00 1.02 0.00 0.00 30.24 29.06 1e9j n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1e9j n GLU 14 N 0.13 0.00 -1.96 -1.09 2.13 -1.25 -4.54 120.64 114.05 1e9j n GLU 14 Ca 0.51 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.93 1e9j n GLU 14 Cb 0.39 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.08 1e9j n GLU 14 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1e9j s ASN 15 N 0.00 5.46 0.00 4.31 3.84 1.38 -4.73 114.94 125.20 1e9j s ASN 15 Ca 0.00 0.87 0.09 0.00 0.21 0.00 0.00 52.86 54.03 1e9j s ASN 15 Cb 0.00 -2.52 0.52 0.00 -0.55 0.00 0.00 41.25 38.69 1e9j s ASN 15 CO 0.00 -2.13 1.33 -0.81 -2.79 0.00 0.00 177.10 172.71 1e9j n PRO 16 N 8.82 1.03 -0.05 0.43 -0.04 -1.26 -1.92 135.00 142.00 1e9j n PRO 16 Ca 0.23 -0.04 -0.04 0.00 -0.04 0.00 0.00 63.50 63.61 1e9j n PRO 16 Cb 0.50 -1.14 -0.01 0.00 -0.04 0.00 0.00 33.50 32.80 1e9j n PRO 16 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1e9j n PHE 17 N -0.60 0.43 1.83 0.54 -0.00 -1.26 -4.38 117.46 114.02 1e9j n PHE 17 Ca 0.07 0.19 0.16 0.00 -0.00 0.00 0.00 57.45 57.86 1e9j n PHE 17 Cb 0.04 -0.52 0.89 0.00 -0.00 0.00 0.00 39.48 39.88 1e9j n PHE 17 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1e9j n PHE 18 N -3.88 0.00 -1.49 -5.13 3.72 -1.23 -4.83 117.46 104.61 1e9j n PHE 18 Ca -0.07 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.85 1e9j n PHE 18 Cb 0.24 -0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 1e9j n PHE 18 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1e9j n SER 19 N -1.05 2.46 -4.58 4.37 3.41 -0.81 -4.54 113.62 112.87 1e9j n SER 19 Ca 0.21 0.38 -0.24 0.00 -0.26 0.00 0.00 58.87 58.97 1e9j n SER 19 Cb 0.15 -1.34 -0.09 0.00 -0.26 0.00 0.00 64.21 62.68 1e9j n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1e9j s GLN 20 N 6.16 2.03 -0.23 4.33 1.03 0.60 -4.92 119.66 128.65 1e9j s GLN 20 Ca 1.07 -1.62 -0.07 0.00 0.04 0.00 0.00 55.36 54.78 1e9j s GLN 20 Cb -0.72 -1.97 -0.07 0.00 0.03 0.00 0.00 33.01 30.28 1e9j s GLN 20 CO 0.46 0.30 1.21 -2.30 -2.54 0.00 0.00 175.29 172.41 1e9j n PRO 21 N -0.81 0.02 0.00 9.60 -0.02 -1.26 0.17 135.00 142.70 1e9j n PRO 21 Ca -0.05 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.02 1e9j n PRO 21 Cb 0.60 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1e9j n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1e9j n GLY 22 N 4.76 1.54 3.15 -1.23 0.00 -1.26 -5.09 105.19 107.06 1e9j n GLY 22 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1e9j n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9j s ALA 23 N -2.00 -2.54 -0.95 4.61 0.00 0.45 -5.09 121.76 116.24 1e9j s ALA 23 Ca 0.00 1.37 -0.07 0.00 0.00 0.00 0.00 51.96 53.27 1e9j s ALA 23 Cb 0.00 -2.44 0.24 0.00 0.00 0.00 0.00 23.12 20.92 1e9j s ALA 23 CO 0.00 -1.66 0.88 -1.25 0.00 0.00 0.00 175.76 173.73 1e9j s PRO 24 N 2.86 3.63 0.36 0.00 0.04 -1.26 0.22 135.00 140.84 1e9j s PRO 24 Ca 0.15 -3.06 -0.00 0.00 0.04 0.00 0.00 61.00 58.12 1e9j s PRO 24 Cb -0.11 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1e9j s PRO 24 CO -0.23 -1.25 0.01 -0.89 0.04 0.00 0.00 177.00 174.68 1e9j n ILE 25 N 2.84 0.00 -2.15 0.56 2.08 -1.22 -4.14 119.36 117.33 1e9j n ILE 25 Ca 0.20 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.51 1e9j n ILE 25 Cb 0.39 -0.01 0.00 0.00 -0.75 0.00 0.00 39.64 39.28 1e9j n ILE 25 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1e9j n LEU 26 N 0.00 0.00 0.00 1.39 4.77 -1.26 0.41 117.00 122.31 1e9j n LEU 26 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1e9j n LEU 26 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1e9j n LEU 26 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.73 1e9j n GLN 27 N 0.00 0.00 0.00 3.23 7.27 -1.26 -4.39 117.38 122.23 1e9j n GLN 27 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1e9j n GLN 27 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1e9j n GLN 27 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1e9j h MET 29 N 0.00 0.00 -4.34 0.00 4.05 -1.89 -3.45 114.93 109.30 1e9j h MET 29 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1e9j h MET 29 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1e9j h MET 29 CO 0.00 0.00 -0.71 0.41 0.23 0.00 0.00 176.91 176.84 1e9j n GLY 30 N -1.54 -3.92 0.10 1.39 0.00 -1.26 -4.62 105.19 95.34 1e9j n GLY 30 Ca 0.05 0.37 -0.01 0.00 0.00 0.00 0.00 46.02 46.43 1e9j n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9j s PHE 33 N 0.00 0.01 0.00 0.00 -0.12 -1.26 -5.00 117.98 111.61 1e9j s PHE 33 Ca 0.00 -0.14 0.00 0.00 -0.05 0.00 0.00 56.93 56.74 1e9j s PHE 33 Cb 0.00 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 1e9j s PHE 33 CO 0.00 -0.31 0.00 0.43 -0.05 0.00 0.00 175.22 175.29 1e9j n SER 34 N -0.93 0.00 -1.28 1.98 7.64 -1.26 -4.93 113.62 114.83 1e9j n SER 34 Ca 0.00 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.06 1e9j n SER 34 Cb 0.60 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 1e9j n SER 34 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1e9j n ARG 35 N 0.00 -2.59 0.00 1.43 3.00 -1.26 -5.05 116.66 112.19 1e9j n ARG 35 Ca 0.00 1.71 0.00 0.00 -0.00 0.00 0.00 57.85 59.56 1e9j n ARG 35 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 32.46 29.30 1e9j n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1e9j n ALA 36 N -2.15 0.00 -2.77 5.13 0.00 -1.26 -5.04 120.51 114.42 1e9j n ALA 36 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1e9j n ALA 36 Cb 0.59 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.06 1e9j n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1e9j n TYR 37 N -0.84 -0.78 -2.43 0.00 4.01 -1.26 -5.00 117.16 110.86 1e9j n TYR 37 Ca 0.00 0.28 -0.42 0.00 -0.16 0.00 0.00 57.90 57.60 1e9j n TYR 37 Cb 0.00 -2.17 -0.03 0.00 -0.31 0.00 0.00 39.34 36.83 1e9j n TYR 37 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1e9j s PRO 38 N -5.28 4.40 -0.78 -0.72 0.04 -1.26 -4.03 135.00 127.37 1e9j s PRO 38 Ca 0.15 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 62.88 1e9j s PRO 38 Cb -0.07 -3.44 0.01 0.00 0.04 0.00 0.00 34.50 31.04 1e9j s PRO 38 CO 0.20 -0.34 0.61 0.25 0.04 0.00 0.00 177.00 177.76 1e9j n THR 39 N 4.23 -3.78 -1.39 1.26 -2.24 -1.26 -4.63 114.28 106.47 1e9j n THR 39 Ca 0.10 -0.01 -0.55 0.00 -2.27 0.00 0.00 64.05 61.32 1e9j n THR 39 Cb 0.46 -3.22 -0.08 0.00 -2.10 0.00 0.00 70.33 65.40 1e9j n THR 39 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1e9j n PRO 40 N -2.33 0.00 -4.04 -0.78 -0.02 -1.26 -4.95 135.00 121.63 1e9j n PRO 40 Ca -0.28 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 60.92 1e9j n PRO 40 Cb 0.68 -1.32 -0.05 0.00 -0.02 0.00 0.00 33.50 32.80 1e9j n PRO 40 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1e9j s LEU 41 N 0.94 3.91 0.45 2.45 0.20 -1.26 -5.12 118.68 120.25 1e9j s LEU 41 Ca 0.84 -0.02 -0.02 0.00 0.69 0.00 0.00 54.13 55.63 1e9j s LEU 41 Cb -1.19 -2.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.02 1e9j s LEU 41 CO 0.58 0.11 0.70 -0.13 -0.29 0.00 0.00 176.35 177.32 1e9j s ARG 42 N -2.81 3.24 -0.56 1.98 1.81 -1.26 -4.91 118.95 116.44 1e9j s ARG 42 Ca 0.31 -0.25 -0.27 0.00 -1.72 0.00 0.00 55.73 53.80 1e9j s ARG 42 Cb -0.11 -2.51 -0.15 0.00 -0.45 0.00 0.00 34.95 31.73 1e9j s ARG 42 CO 0.24 -0.22 1.76 0.45 -0.68 0.00 0.00 175.30 176.85 1e9j n SER 43 N -2.12 0.36 -2.94 0.23 2.88 -1.26 -4.81 113.62 105.96 1e9j n SER 43 Ca 0.00 0.29 -0.04 0.00 -1.33 0.00 0.00 58.87 57.79 1e9j n SER 43 Cb 0.57 -0.66 -0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1e9j n SER 43 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1e9j s LYS 44 N 5.50 0.98 -0.45 -1.46 3.01 -1.26 -5.06 119.74 121.00 1e9j s LYS 44 Ca 0.93 -0.89 0.06 0.00 -1.01 0.00 0.00 55.97 55.05 1e9j s LYS 44 Cb -0.99 -0.10 0.21 0.00 -1.01 0.00 0.00 37.83 35.94 1e9j s LYS 44 CO 0.41 -1.29 0.46 1.17 0.51 0.00 0.00 175.35 176.61 1e9j n LYS 45 N 3.39 0.74 0.00 1.68 4.81 -1.26 -5.05 118.16 122.47 1e9j n LYS 45 Ca 0.16 -3.43 0.00 0.00 -0.87 0.00 0.00 58.31 54.18 1e9j n LYS 45 Cb 0.55 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1e9j n LYS 45 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1e9j n THR 46 N 1.99 0.00 0.00 3.15 -1.04 -1.26 -4.11 114.28 113.01 1e9j n THR 46 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1e9j n THR 46 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 1e9j n THR 46 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1e9j n MET 47 N 0.00 0.00 -2.57 -2.82 0.00 -1.26 -5.01 117.12 105.46 1e9j n MET 47 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.70 57.66 1e9j n MET 47 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.27 1e9j n MET 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1e9j n LEU 48 N -0.92 -1.33 -3.55 -0.89 7.94 -1.26 -5.15 117.00 111.84 1e9j n LEU 48 Ca 0.00 -2.42 -0.16 0.00 -1.11 0.00 0.00 56.01 52.31 1e9j n LEU 48 Cb 0.00 0.51 -0.06 0.00 0.53 0.00 0.00 43.42 44.40 1e9j n LEU 48 CO 0.00 1.44 0.48 0.54 -1.11 0.00 0.00 177.39 178.74 1e9j s VAL 49 N 0.09 0.00 -0.30 1.96 0.11 -1.26 -5.15 120.40 115.86 1e9j s VAL 49 Ca 0.10 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.06 1e9j s VAL 49 Cb 0.21 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 34.24 1e9j s VAL 49 CO -0.05 0.00 0.97 -1.58 -3.33 0.00 0.00 175.10 171.11 1e9j s GLN 50 N -0.78 0.22 -0.29 1.54 -0.44 -1.26 -4.48 119.66 114.17 1e9j s GLN 50 Ca -0.07 0.27 0.04 0.00 -2.50 0.00 0.00 55.36 53.09 1e9j s GLN 50 Cb -0.01 0.13 0.18 0.00 -1.64 0.00 0.00 33.01 31.67 1e9j s GLN 50 CO 0.07 -0.37 0.51 -1.59 0.50 0.00 0.00 175.29 174.40 1e9j s LYS 51 N 2.94 0.49 0.31 1.67 0.00 -1.26 -5.16 119.74 118.73 1e9j s LYS 51 Ca 0.18 0.41 0.09 0.00 0.00 0.00 0.00 55.97 56.66 1e9j s LYS 51 Cb -0.05 0.02 -0.05 0.00 0.00 0.00 0.00 37.83 37.75 1e9j s LYS 51 CO -0.20 -1.00 0.02 -0.80 0.00 0.00 0.00 175.35 173.36 1e9j s ASN 52 N 2.71 4.36 0.59 0.03 0.01 -1.26 -5.14 114.94 116.23 1e9j s ASN 52 Ca 0.11 -0.83 -0.07 0.00 -0.71 0.00 0.00 52.86 51.35 1e9j s ASN 52 Cb -0.12 -0.66 -0.01 0.00 0.41 0.00 0.00 41.25 40.88 1e9j s ASN 52 CO -0.27 -0.14 0.92 0.68 -1.51 0.00 0.00 177.10 176.78 1e9j s VAL 53 N -2.43 4.09 0.04 1.60 -7.23 -1.26 -5.10 120.40 110.11 1e9j s VAL 53 Ca 0.34 0.26 0.07 0.00 -1.81 0.00 0.00 61.98 60.84 1e9j s VAL 53 Cb -0.03 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.27 1e9j s VAL 53 CO 0.20 -0.69 -0.22 0.28 -0.31 0.00 0.00 175.10 174.37 1e9j s THR 54 N -3.02 1.73 -0.32 5.32 -1.32 -1.26 -5.05 115.64 111.73 1e9j s THR 54 Ca 0.53 -1.20 0.18 0.00 -1.21 0.00 0.00 61.69 59.99 1e9j s THR 54 Cb -0.11 -1.50 0.47 0.00 -1.51 0.00 0.00 72.50 69.85 1e9j s THR 54 CO 0.47 0.26 0.99 -0.24 -2.21 0.00 0.00 174.62 173.89 1e9j n SER 55 N 1.91 1.71 -3.78 8.08 2.88 -1.26 -5.05 113.62 118.11 1e9j n SER 55 Ca -0.17 -2.68 -0.27 0.00 -1.33 0.00 0.00 58.87 54.41 1e9j n SER 55 Cb 0.53 -0.52 -0.16 0.00 -0.75 0.00 0.00 64.21 63.31 1e9j n SER 55 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1e9j s GLU 56 N -3.26 0.85 -0.08 -1.46 -1.05 -1.26 -4.98 118.70 107.46 1e9j s GLU 56 Ca 0.29 -0.44 0.17 0.00 -0.15 0.00 0.00 54.97 54.84 1e9j s GLU 56 Cb 0.43 -2.03 0.35 0.00 -0.44 0.00 0.00 34.13 32.45 1e9j s GLU 56 CO 0.01 -0.57 1.16 0.43 0.95 0.00 0.00 175.26 177.24 1e9j n SER 57 N 5.00 1.23 -4.12 0.83 7.64 -1.26 -5.10 113.62 117.83 1e9j n SER 57 Ca -0.09 -2.73 -0.36 0.00 1.01 0.00 0.00 58.87 56.70 1e9j n SER 57 Cb 0.47 -0.37 0.08 0.00 -1.01 0.00 0.00 64.21 63.37 1e9j n SER 57 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1e9j n THR 58 N -0.28 0.00 -3.60 0.44 -1.04 -1.26 -4.31 114.28 104.23 1e9j n THR 58 Ca 0.10 -0.24 -0.03 0.00 -2.04 0.00 0.00 64.05 61.85 1e9j n THR 58 Cb 0.89 -0.22 -0.02 0.00 -1.82 0.00 0.00 70.33 69.17 1e9j n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1e9j n VAL 61 N 6.40 3.46 0.00 0.00 3.14 -1.15 -4.66 118.33 125.51 1e9j n VAL 61 Ca 0.04 -5.27 0.00 0.00 -2.96 0.00 0.00 64.34 56.15 1e9j n VAL 61 Cb 0.49 -2.34 0.00 0.00 -1.06 0.00 0.00 33.84 30.92 1e9j n VAL 61 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1e9j n ALA 62 N 2.08 -0.26 -0.24 1.55 0.00 -1.25 -4.50 120.51 117.89 1e9j n ALA 62 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.70 1e9j n ALA 62 Cb 0.37 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.08 1e9j n ALA 62 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1e9j h LYS 63 N 0.72 0.96 -2.62 0.00 3.64 0.45 -3.39 116.57 116.32 1e9j h LYS 63 Ca 0.00 -0.06 -0.34 0.00 -1.27 0.00 0.00 60.65 58.99 1e9j h LYS 63 Cb 0.00 -0.22 -0.37 0.00 -0.41 0.00 0.00 32.23 31.24 1e9j h LYS 63 CO 0.00 0.64 -0.64 -1.12 -2.27 0.00 0.00 179.45 176.05 1e9j s SER 64 N -6.25 1.49 0.33 4.20 0.01 -0.99 -4.91 113.70 107.58 1e9j s SER 64 Ca -0.11 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1e9j s SER 64 Cb 0.18 0.29 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 1e9j s SER 64 CO 0.79 -0.33 0.51 -0.72 0.41 0.00 0.00 173.24 173.90 1e9j s TYR 65 N 2.30 3.44 -0.09 2.43 -0.85 -1.25 0.31 117.35 123.64 1e9j s TYR 65 Ca 0.06 0.22 0.17 0.00 -0.52 0.00 0.00 57.07 57.00 1e9j s TYR 65 Cb -0.16 -1.87 0.36 0.00 0.38 0.00 0.00 41.96 40.68 1e9j s TYR 65 CO -0.11 0.14 1.17 -1.71 -1.52 0.00 0.00 175.55 173.51 1e9j n ASN 66 N -1.72 1.28 0.00 -0.18 4.05 0.30 -4.74 115.26 114.25 1e9j n ASN 66 Ca -0.05 -2.81 0.00 0.00 0.45 0.00 0.00 54.58 52.17 1e9j n ASN 66 Cb 0.57 -0.39 0.00 0.00 1.23 0.00 0.00 39.78 41.19 1e9j n ASN 66 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1e9j n ARG 67 N -0.35 0.00 -2.57 1.20 0.00 -1.20 -3.89 116.66 109.85 1e9j n ARG 67 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.83 1e9j n ARG 67 Cb 0.88 0.00 0.03 0.00 0.00 0.00 0.00 32.46 33.37 1e9j n ARG 67 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1e9j n VAL 68 N 0.00 1.60 -0.08 5.15 0.24 -1.26 -4.61 118.33 119.37 1e9j n VAL 68 Ca 0.00 -3.61 -0.03 0.00 -2.04 0.00 0.00 64.34 58.66 1e9j n VAL 68 Cb 0.00 0.14 -0.00 0.00 -1.47 0.00 0.00 33.84 32.50 1e9j n VAL 68 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1e9j n THR 69 N -0.39 0.00 -4.29 3.34 -1.04 -1.25 -4.83 114.28 105.82 1e9j n THR 69 Ca 0.20 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.08 1e9j n THR 69 Cb 0.80 -0.02 -0.03 0.00 -1.82 0.00 0.00 70.33 69.26 1e9j n THR 69 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1e9j n VAL 70 N 0.19 0.00 -0.41 12.58 0.31 -1.18 -4.78 118.33 125.04 1e9j n VAL 70 Ca 0.02 -1.04 0.00 0.00 -0.01 0.00 0.00 64.34 63.30 1e9j n VAL 70 Cb -0.00 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 1e9j n VAL 70 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1e9j n MET 71 N -0.50 0.00 0.00 5.55 2.81 -1.26 0.19 117.12 123.92 1e9j n MET 71 Ca -0.07 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.88 1e9j n MET 71 Cb 0.28 0.00 0.33 0.00 -0.71 0.00 0.00 33.22 33.12 1e9j n MET 71 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1e9j n GLY 72 N 0.00 -0.75 0.00 3.03 0.00 -1.26 -4.61 105.19 101.60 1e9j n GLY 72 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1e9j n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1e9j n GLY 73 N 0.36 0.91 3.17 -0.02 0.00 0.21 -5.15 105.19 104.68 1e9j n GLY 73 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1e9j n GLY 73 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1e9j n PHE 74 N 0.00 -3.50 -3.25 1.61 3.01 0.51 -4.68 117.46 111.16 1e9j n PHE 74 Ca 0.00 -0.65 -0.01 0.00 1.01 0.00 0.00 57.45 57.80 1e9j n PHE 74 Cb 0.00 -1.35 -0.04 0.00 -0.01 0.00 0.00 39.48 38.08 1e9j n PHE 74 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1e9j s LYS 75 N -4.75 0.50 -0.06 -1.08 3.01 -1.26 -3.10 119.74 112.99 1e9j s LYS 75 Ca 0.61 0.88 0.12 0.00 -1.01 0.00 0.00 55.97 56.57 1e9j s LYS 75 Cb -0.11 0.24 0.35 0.00 -1.01 0.00 0.00 37.83 37.30 1e9j s LYS 75 CO 0.51 -0.60 1.28 1.33 0.51 0.00 0.00 175.35 178.38 1e9j n VAL 76 N 5.41 1.41 -2.59 3.17 0.24 -1.26 -4.92 118.33 119.79 1e9j n VAL 76 Ca -0.02 -1.30 -0.14 0.00 -2.04 0.00 0.00 64.34 60.83 1e9j n VAL 76 Cb 0.51 0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 33.10 1e9j n VAL 76 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1e9j n GLU 77 N 0.07 -0.91 0.00 7.34 -0.58 -1.26 -1.27 120.64 124.03 1e9j n GLU 77 Ca 0.14 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1e9j n GLU 77 Cb 0.56 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1e9j n GLU 77 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1e9j n ASN 78 N -0.35 0.00 -4.71 1.62 5.15 -1.25 -0.43 115.26 115.29 1e9j n ASN 78 Ca 0.03 0.00 -0.64 0.00 -0.60 0.00 0.00 54.58 53.37 1e9j n ASN 78 Cb 0.16 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.32 1e9j n ASN 78 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1e9j n HIS 79 N 0.00 1.70 0.09 1.20 8.25 -0.40 0.11 115.22 126.18 1e9j n HIS 79 Ca 0.00 0.97 0.06 0.00 -0.26 0.00 0.00 57.72 58.49 1e9j n HIS 79 Cb 0.00 -2.27 -0.10 0.00 1.12 0.00 0.00 29.99 28.74 1e9j n HIS 79 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1e9j n THR 80 N 3.81 0.00 -3.50 1.59 -2.24 0.93 -4.81 114.28 110.05 1e9j n THR 80 Ca 0.28 -0.28 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1e9j n THR 80 Cb 0.01 0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.52 1e9j n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j s ALA 81 N -2.79 -1.73 0.01 6.98 0.00 -0.28 -4.84 121.76 119.11 1e9j s ALA 81 Ca -0.03 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1e9j s ALA 81 Cb 0.09 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1e9j s ALA 81 CO 0.54 -0.45 -0.07 0.00 0.00 0.00 0.00 175.76 175.77 1e9j s HIS 83 N -0.48 -0.75 0.07 0.00 -3.43 -1.26 -4.58 115.29 104.87 1e9j s HIS 83 Ca -0.00 1.46 -0.30 0.00 -0.80 0.00 0.00 55.06 55.41 1e9j s HIS 83 Cb -0.05 0.28 -0.09 0.00 -1.43 0.00 0.00 32.58 31.29 1e9j s HIS 83 CO 0.00 -0.46 1.92 0.00 -2.00 0.00 0.00 174.74 174.20 1e9j n SER 85 N 6.84 0.00 -1.33 0.00 2.88 0.42 -4.72 113.62 117.71 1e9j n SER 85 Ca 0.19 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.78 1e9j n SER 85 Cb 0.40 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.83 1e9j n SER 85 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1e9j n THR 86 N -0.08 -1.51 0.00 2.46 -2.24 -1.26 -4.32 114.28 107.33 1e9j n THR 86 Ca 0.00 0.89 0.00 0.00 -2.27 0.00 0.00 64.05 62.67 1e9j n THR 86 Cb 0.00 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j n TYR 88 N -0.53 1.11 -3.78 0.00 4.01 -1.26 -4.86 117.16 111.85 1e9j n TYR 88 Ca 0.00 0.52 -0.13 0.00 -0.16 0.00 0.00 57.90 58.14 1e9j n TYR 88 Cb 0.00 -2.21 -0.00 0.00 -0.31 0.00 0.00 39.34 36.81 1e9j n TYR 88 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1e9j n TYR 89 N -0.75 -0.82 0.00 -0.72 4.11 -1.26 -4.73 117.16 112.98 1e9j n TYR 89 Ca 0.10 -1.08 0.00 0.00 -0.00 0.00 0.00 57.90 56.92 1e9j n TYR 89 Cb 0.41 -0.20 0.00 0.00 -0.00 0.00 0.00 39.34 39.55 1e9j n TYR 89 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44 1e9j n HIS 90 N -1.01 0.00 -3.94 -3.48 -0.00 -1.26 -4.98 115.22 100.54 1e9j n HIS 90 Ca -0.02 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.84 1e9j n HIS 90 Cb 0.29 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.11 1e9j n HIS 90 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1e9j s LYS 91 N 0.00 3.34 0.00 1.57 1.02 -1.26 -5.32 119.74 119.09 1e9j s LYS 91 Ca 0.00 -0.46 0.08 0.00 0.02 0.00 0.00 55.97 55.61 1e9j s LYS 91 Cb 0.00 -2.99 0.06 0.00 -0.52 0.00 0.00 37.83 34.38 1e9j s LYS 91 CO 0.00 0.62 0.76 0.43 -0.92 0.00 0.00 175.35 176.24