#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 0.00 -2.62 0.00 -0.02 -1.26 -4.74 135.00 126.36 1e9j n PRO 2 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.32 1e9j n PRO 2 Cb 0.00 -0.03 -0.03 0.00 -0.02 0.00 0.00 33.50 33.42 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 0.00 -0.69 0.00 2.55 -0.08 -1.26 -4.48 116.55 112.59 1e9j n ASP 3 Ca 0.00 -0.46 0.00 0.00 -1.51 0.00 0.00 54.79 52.82 1e9j n ASP 3 Cb 0.00 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 42.86 1e9j n ASP 3 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1e9j n VAL 4 N -1.83 0.00 -3.37 5.18 0.31 -1.26 -4.73 118.33 112.63 1e9j n VAL 4 Ca 0.04 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.21 1e9j n VAL 4 Cb 0.17 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.13 1e9j n VAL 4 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1e9j n GLN 5 N 3.56 0.80 -1.69 5.55 0.00 -1.26 -5.04 117.38 119.30 1e9j n GLN 5 Ca 0.00 -2.34 -0.44 0.00 -0.00 0.00 0.00 57.00 54.22 1e9j n GLN 5 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 30.24 30.23 1e9j n GLN 5 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1e9j n ASP 6 N -2.23 3.73 -4.57 1.69 2.03 -1.26 -4.99 116.55 110.94 1e9j n ASP 6 Ca 0.06 1.03 -0.27 0.00 0.52 0.00 0.00 54.79 56.13 1e9j n ASP 6 Cb 0.44 -1.51 -0.10 0.00 -0.72 0.00 0.00 41.12 39.23 1e9j n ASP 6 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1e9j n PRO 8 N -0.93 -2.43 -2.23 0.00 -0.02 -1.26 -4.62 135.00 123.51 1e9j n PRO 8 Ca -0.06 -0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 60.32 1e9j n PRO 8 Cb 0.67 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 1e9j n PRO 8 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1e9j s GLU 9 N -4.28 4.32 0.25 -0.52 2.12 -1.26 -2.00 118.70 117.32 1e9j s GLU 9 Ca 0.67 1.99 -0.31 0.00 0.36 0.00 0.00 54.97 57.68 1e9j s GLU 9 Cb -0.24 -3.41 -0.11 0.00 0.26 0.00 0.00 34.13 30.63 1e9j s GLU 9 CO 0.65 -0.48 1.57 0.00 -0.54 0.00 0.00 175.26 176.47 1e9j n THR 11 N 2.78 0.00 -3.39 0.00 5.66 -1.19 -4.88 114.28 113.26 1e9j n THR 11 Ca 0.10 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.12 1e9j n THR 11 Cb 0.38 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.11 1e9j n THR 11 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1e9j s LEU 12 N -2.37 -0.36 -0.67 1.09 1.02 -1.26 -3.59 118.68 112.54 1e9j s LEU 12 Ca 0.00 0.51 0.02 0.00 0.02 0.00 0.00 54.13 54.69 1e9j s LEU 12 Cb 0.00 1.44 0.37 0.00 0.02 0.00 0.00 46.19 48.01 1e9j s LEU 12 CO 0.00 -0.07 1.41 0.00 0.02 0.00 0.00 176.35 177.70 1e9j n GLN 13 N 4.49 3.56 0.00 1.70 6.02 -1.26 -4.80 117.38 127.09 1e9j n GLN 13 Ca -0.10 -4.40 0.00 0.00 -0.01 0.00 0.00 57.00 52.49 1e9j n GLN 13 Cb 0.54 -2.29 0.00 0.00 1.02 0.00 0.00 30.24 29.52 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 -0.37 0.00 -1.98 -1.09 2.13 -1.24 -4.50 120.64 113.60 1e9j n GLU 14 Ca 0.42 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.81 1e9j n GLU 14 Cb 0.43 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.11 1e9j n GLU 14 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1e9j s ASN 15 N 0.00 6.16 -0.03 4.31 0.01 1.16 -4.71 114.94 121.85 1e9j s ASN 15 Ca 0.00 1.70 0.06 0.00 -0.71 0.00 0.00 52.86 53.91 1e9j s ASN 15 Cb 0.00 -2.53 0.21 0.00 0.41 0.00 0.00 41.25 39.35 1e9j s ASN 15 CO 0.00 -1.42 1.05 -0.81 -1.51 0.00 0.00 177.10 174.41 1e9j n PRO 16 N 7.95 1.76 -0.04 -0.60 -0.04 -1.26 -2.70 135.00 140.08 1e9j n PRO 16 Ca 0.21 -0.85 -0.04 0.00 -0.04 0.00 0.00 63.50 62.79 1e9j n PRO 16 Cb 0.45 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.16 0.00 0.27 0.54 7.35 -1.26 -4.55 117.46 119.98 1e9j n PHE 17 Ca 0.08 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.93 1e9j n PHE 17 Cb 0.32 -0.21 0.70 0.00 0.35 0.00 0.00 39.48 40.64 1e9j n PHE 17 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1e9j h PHE 18 N -0.42 0.00 -0.25 -5.13 3.04 -1.91 -3.45 116.94 108.82 1e9j h PHE 18 Ca 0.00 0.00 -0.40 0.00 3.98 0.00 0.00 57.97 61.55 1e9j h PHE 18 Cb 0.42 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1e9j h PHE 18 CO -0.18 0.04 0.48 0.43 -2.02 0.00 0.00 178.31 177.07 1e9j n SER 19 N -3.18 0.47 -4.42 0.41 7.64 -1.10 -4.77 113.62 108.67 1e9j n SER 19 Ca 0.00 0.45 -0.21 0.00 1.01 0.00 0.00 58.87 60.13 1e9j n SER 19 Cb 0.30 -0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 62.97 1e9j n SER 19 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1e9j s GLN 20 N 2.16 1.54 -0.31 1.43 -1.52 1.14 -4.88 119.66 119.23 1e9j s GLN 20 Ca 0.54 -1.80 -0.07 0.00 -1.95 0.00 0.00 55.36 52.08 1e9j s GLN 20 Cb -0.72 -1.02 -0.07 0.00 -0.22 0.00 0.00 33.01 30.98 1e9j s GLN 20 CO 0.36 -0.03 1.33 -2.30 -0.25 0.00 0.00 175.29 174.39 1e9j n PRO 21 N -0.59 0.03 0.00 2.91 -0.02 -1.26 0.82 135.00 136.89 1e9j n PRO 21 Ca -0.05 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.01 1e9j n PRO 21 Cb 0.64 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 4.96 1.38 3.12 -1.23 0.00 -1.26 -5.09 105.19 107.07 1e9j n GLY 22 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.63 -0.53 4.61 0.00 0.24 -5.04 121.76 114.40 1e9j s ALA 23 Ca 0.00 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.44 1e9j s ALA 23 Cb 0.00 -2.95 0.54 0.00 0.00 0.00 0.00 23.12 20.71 1e9j s ALA 23 CO 0.00 -2.21 1.90 -0.35 0.00 0.00 0.00 175.76 175.10 1e9j n PRO 24 N 4.91 2.51 0.00 0.00 -0.04 -1.26 0.36 135.00 141.48 1e9j n PRO 24 Ca 0.11 -3.23 0.00 0.00 -0.04 0.00 0.00 63.50 60.34 1e9j n PRO 24 Cb 0.59 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1e9j n PRO 24 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1e9j n ILE 25 N -1.01 0.00 -2.34 0.52 2.08 -1.22 0.18 119.36 117.58 1e9j n ILE 25 Ca 0.58 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.89 1e9j n ILE 25 Cb 1.10 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.99 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 0.37 117.00 122.27 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 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 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 -4.27 117.38 122.35 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 s MET 29 N 0.00 3.31 0.00 0.00 1.75 -1.26 -4.43 119.30 118.67 1e9j s MET 29 Ca 0.00 -0.49 0.00 0.00 -1.25 0.00 0.00 55.69 53.95 1e9j s MET 29 Cb 0.00 -2.97 0.00 0.00 2.84 0.00 0.00 34.83 34.70 1e9j s MET 29 CO 0.00 0.61 0.00 0.41 -0.65 0.00 0.00 175.02 175.39 1e9j n GLY 30 N 0.39 -0.01 0.00 2.11 0.00 -1.26 -3.20 105.19 103.23 1e9j n GLY 30 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1e9j n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9j n PHE 33 N 5.88 -0.86 -0.54 0.00 3.01 -1.26 -4.85 117.46 118.84 1e9j n PHE 33 Ca -0.04 0.38 0.00 0.00 1.01 0.00 0.00 57.45 58.80 1e9j n PHE 33 Cb 0.48 -0.95 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 1e9j n PHE 33 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1e9j n SER 34 N 1.17 0.63 -4.70 4.37 7.64 -1.26 -4.99 113.62 116.48 1e9j n SER 34 Ca 0.07 -1.17 -0.39 0.00 1.01 0.00 0.00 58.87 58.39 1e9j n SER 34 Cb 0.19 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.33 1e9j n SER 34 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1e9j s ARG 35 N -0.17 4.29 -0.60 1.43 3.00 -1.26 -5.02 118.95 120.62 1e9j s ARG 35 Ca 0.00 0.50 -0.28 0.00 0.00 0.00 0.00 55.73 55.95 1e9j s ARG 35 Cb 0.00 -3.49 0.03 0.00 0.00 0.00 0.00 34.95 31.49 1e9j s ARG 35 CO 0.00 0.02 1.20 0.00 0.00 0.00 0.00 175.30 176.52 1e9j s ALA 36 N 1.07 2.97 -0.14 2.13 0.00 -1.26 -4.99 121.76 121.54 1e9j s ALA 36 Ca 0.27 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 1e9j s ALA 36 Cb -0.16 -4.06 -0.02 0.00 0.00 0.00 0.00 23.12 18.88 1e9j s ALA 36 CO 0.11 -2.74 1.34 -0.47 0.00 0.00 0.00 175.76 174.00 1e9j s TYR 37 N 5.03 2.68 -0.03 0.00 5.04 -1.26 -5.00 117.35 123.80 1e9j s TYR 37 Ca 0.41 0.84 -0.29 0.00 -2.44 0.00 0.00 57.07 55.60 1e9j s TYR 37 Cb -0.08 -3.59 -0.03 0.00 0.35 0.00 0.00 41.96 38.62 1e9j s TYR 37 CO 0.24 -2.14 0.93 -1.25 -1.34 0.00 0.00 175.55 171.98 1e9j s PRO 38 N 3.56 4.51 -0.07 4.97 0.04 -1.26 -4.62 135.00 142.13 1e9j s PRO 38 Ca 0.59 1.30 -0.05 0.00 0.04 0.00 0.00 61.00 62.88 1e9j s PRO 38 Cb -0.24 -3.47 0.02 0.00 0.04 0.00 0.00 34.50 30.84 1e9j s PRO 38 CO 0.18 -0.08 0.10 2.41 0.04 0.00 0.00 177.00 179.65 1e9j n THR 39 N 4.01 -8.98 -0.97 1.26 -1.04 -1.26 -5.06 114.28 102.24 1e9j n THR 39 Ca 0.05 1.78 0.00 0.00 -2.04 0.00 0.00 64.05 63.84 1e9j n THR 39 Cb 0.51 -5.18 0.00 0.00 -1.82 0.00 0.00 70.33 63.84 1e9j n THR 39 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1e9j n PRO 40 N 1.06 0.63 0.00 -2.82 -0.04 -1.26 -5.13 135.00 127.44 1e9j n PRO 40 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1e9j n PRO 40 Cb 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 1e9j n PRO 40 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1e9j n LEU 41 N 0.00 0.00 -4.44 1.53 7.94 -1.26 -4.95 117.00 115.82 1e9j n LEU 41 Ca 0.00 0.00 -0.50 0.00 -1.11 0.00 0.00 56.01 54.40 1e9j n LEU 41 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1e9j n LEU 41 CO 0.00 0.00 1.81 -1.14 -1.11 0.00 0.00 177.39 176.95 1e9j n ARG 42 N 0.00 1.07 -3.77 1.96 3.00 -1.26 -4.84 116.66 112.81 1e9j n ARG 42 Ca 0.00 0.28 -0.00 0.00 -0.00 0.00 0.00 57.85 58.13 1e9j n ARG 42 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 32.46 30.00 1e9j n ARG 42 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1e9j s SER 43 N 7.39 -0.06 0.00 6.15 0.01 -1.26 -5.19 113.70 120.74 1e9j s SER 43 Ca 1.10 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1e9j s SER 43 Cb -0.85 0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.69 1e9j s SER 43 CO 0.49 -0.59 0.00 1.17 0.41 0.00 0.00 173.24 174.72 1e9j n LYS 44 N -0.60 2.30 -1.32 12.44 4.81 -1.26 -4.96 118.16 129.57 1e9j n LYS 44 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1e9j n LYS 44 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 1e9j n LYS 44 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1e9j n LYS 45 N 0.00 -0.09 -0.13 1.64 0.00 -1.26 -4.71 118.16 113.61 1e9j n LYS 45 Ca 0.00 0.24 -0.04 0.00 0.00 0.00 0.00 58.31 58.52 1e9j n LYS 45 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 35.03 34.70 1e9j n LYS 45 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1e9j n THR 46 N 0.77 -0.22 -2.56 3.15 -1.04 -1.26 -4.47 114.28 108.66 1e9j n THR 46 Ca 0.00 1.25 -0.22 0.00 -2.04 0.00 0.00 64.05 63.03 1e9j n THR 46 Cb 0.15 -1.59 0.05 0.00 -1.82 0.00 0.00 70.33 67.13 1e9j n THR 46 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1e9j s MET 47 N -4.17 2.34 -0.80 -2.82 -1.94 -1.26 -4.64 119.30 106.00 1e9j s MET 47 Ca -0.04 -0.75 -0.00 0.00 -1.71 0.00 0.00 55.69 53.19 1e9j s MET 47 Cb 0.04 -2.41 0.00 0.00 2.01 0.00 0.00 34.83 34.47 1e9j s MET 47 CO 0.20 -0.93 0.63 -0.11 -0.01 0.00 0.00 175.02 174.81 1e9j n LEU 48 N -2.52 -3.46 -4.71 -0.03 7.94 -1.26 -4.94 117.00 108.01 1e9j n LEU 48 Ca 0.09 -0.68 -0.36 0.00 -1.11 0.00 0.00 56.01 53.94 1e9j n LEU 48 Cb 0.60 -2.17 -0.08 0.00 0.53 0.00 0.00 43.42 42.30 1e9j n LEU 48 CO 0.46 -0.10 -0.06 -0.69 -1.11 0.00 0.00 177.39 175.90 1e9j s VAL 49 N -3.00 5.32 -0.59 1.96 1.01 -1.26 -4.96 120.40 118.88 1e9j s VAL 49 Ca 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 1e9j s VAL 49 Cb -0.00 -3.59 0.15 0.00 0.00 0.00 0.00 36.38 32.94 1e9j s VAL 49 CO 0.85 0.37 0.46 -1.58 0.00 0.00 0.00 175.10 175.20 1e9j s GLN 50 N 0.64 2.74 -0.18 2.72 0.74 -1.26 -5.01 119.66 120.04 1e9j s GLN 50 Ca 0.14 -2.11 -0.04 0.00 0.05 0.00 0.00 55.36 53.40 1e9j s GLN 50 Cb -0.13 -3.98 0.06 0.00 1.10 0.00 0.00 33.01 30.06 1e9j s GLN 50 CO 0.03 -1.21 0.07 -1.59 -0.55 0.00 0.00 175.29 172.04 1e9j s LYS 51 N 0.74 0.27 0.00 1.67 0.00 -1.26 -5.10 119.74 116.07 1e9j s LYS 51 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 55.97 55.86 1e9j s LYS 51 Cb -0.21 -1.90 0.00 0.00 0.00 0.00 0.00 37.83 35.72 1e9j s LYS 51 CO -0.03 -0.68 0.00 -1.71 0.00 0.00 0.00 175.35 172.93 1e9j n ASN 52 N 5.20 0.00 -4.06 0.03 2.85 -1.26 -4.81 115.26 113.21 1e9j n ASN 52 Ca -0.08 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.07 1e9j n ASN 52 Cb 0.48 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.36 1e9j n ASN 52 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1e9j s VAL 53 N -1.88 2.44 -0.82 3.44 -7.23 -1.26 -4.77 120.40 110.32 1e9j s VAL 53 Ca 0.00 -2.08 -0.04 0.00 -1.81 0.00 0.00 61.98 58.05 1e9j s VAL 53 Cb 0.00 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1e9j s VAL 53 CO 0.00 -0.45 0.72 0.41 -0.31 0.00 0.00 175.10 175.47 1e9j n THR 54 N 4.36 -7.06 0.00 5.32 -1.04 -1.26 -5.03 114.28 109.58 1e9j n THR 54 Ca -0.02 -0.98 0.00 0.00 -2.04 0.00 0.00 64.05 61.01 1e9j n THR 54 Cb 0.42 -5.60 0.00 0.00 -1.82 0.00 0.00 70.33 63.33 1e9j n THR 54 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1e9j n SER 55 N -2.81 0.00 -4.33 8.00 3.41 -1.26 -4.81 113.62 111.81 1e9j n SER 55 Ca -0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.12 1e9j n SER 55 Cb 0.60 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.46 1e9j n SER 55 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1e9j s GLU 56 N 0.00 2.79 -0.09 4.33 -1.05 -1.26 -4.53 118.70 118.88 1e9j s GLU 56 Ca 0.00 -1.38 -0.10 0.00 -0.15 0.00 0.00 54.97 53.34 1e9j s GLU 56 Cb 0.00 -3.93 -0.03 0.00 -0.44 0.00 0.00 34.13 29.73 1e9j s GLU 56 CO 0.00 -0.97 -0.19 0.45 0.95 0.00 0.00 175.26 175.51 1e9j n SER 57 N 5.05 1.10 0.00 0.83 2.88 -1.26 -5.05 113.62 117.17 1e9j n SER 57 Ca -0.11 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1e9j n SER 57 Cb 0.43 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1e9j n SER 57 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1e9j n THR 58 N -3.60 0.00 -4.00 2.46 -1.04 -1.25 -4.75 114.28 102.10 1e9j n THR 58 Ca -0.07 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.62 1e9j n THR 58 Cb 0.28 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.73 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 -3.77 0.00 0.00 0.00 0.24 -1.21 -4.79 118.33 108.81 1e9j n VAL 61 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1e9j n VAL 61 Cb 0.58 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1e9j n VAL 61 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1e9j n ALA 62 N 0.00 -0.96 -0.21 2.33 0.00 -1.25 -4.58 120.51 115.85 1e9j n ALA 62 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1e9j n ALA 62 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 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 2.71 0.71 -3.54 0.00 3.64 0.71 -3.42 116.57 117.38 1e9j h LYS 63 Ca 0.00 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1e9j h LYS 63 Cb 0.00 -0.16 -0.25 0.00 -0.41 0.00 0.00 32.23 31.41 1e9j h LYS 63 CO 0.00 0.47 -0.59 -1.12 -2.27 0.00 0.00 179.45 175.94 1e9j s SER 64 N -6.08 -0.05 0.21 4.20 0.01 -0.93 -4.93 113.70 106.13 1e9j s SER 64 Ca -0.10 0.07 0.08 0.00 1.31 0.00 0.00 55.95 57.31 1e9j s SER 64 Cb 0.20 0.20 -0.05 0.00 0.21 0.00 0.00 66.02 66.58 1e9j s SER 64 CO 0.78 -0.12 -0.14 -0.72 0.41 0.00 0.00 173.24 173.45 1e9j s TYR 65 N -0.33 1.72 -0.13 2.43 -0.85 -1.25 -0.02 117.35 118.92 1e9j s TYR 65 Ca -0.04 -0.57 0.16 0.00 -0.52 0.00 0.00 57.07 56.10 1e9j s TYR 65 Cb -0.03 -0.80 0.39 0.00 0.38 0.00 0.00 41.96 41.90 1e9j s TYR 65 CO 0.00 0.36 1.19 0.09 -1.52 0.00 0.00 175.55 175.67 1e9j n ASN 66 N -0.38 1.46 0.00 -0.18 4.13 0.11 -4.79 115.26 115.60 1e9j n ASN 66 Ca -0.08 -3.14 0.00 0.00 1.68 0.00 0.00 54.58 53.04 1e9j n ASN 66 Cb 0.60 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 1e9j n ASN 66 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1e9j n ARG 67 N -0.59 0.00 -2.62 3.52 1.85 -1.22 -3.87 116.66 113.74 1e9j n ARG 67 Ca 0.14 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.91 1e9j n ARG 67 Cb 0.83 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 32.28 1e9j n ARG 67 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1e9j n VAL 68 N 0.00 1.55 0.00 8.89 0.24 -1.26 -4.64 118.33 123.11 1e9j n VAL 68 Ca 0.00 -3.34 0.00 0.00 -2.04 0.00 0.00 64.34 58.96 1e9j n VAL 68 Cb 0.00 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 -0.53 0.00 -3.86 3.34 -1.04 -1.24 -4.87 114.28 106.09 1e9j n THR 69 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1e9j n THR 69 Cb 0.83 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.34 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 0.00 0.00 0.00 12.58 0.31 -1.11 -4.75 118.33 125.36 1e9j n VAL 70 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1e9j n VAL 70 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 0.00 -0.25 5.55 2.81 -1.26 0.20 117.12 124.17 1e9j n MET 71 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 1e9j n MET 71 Cb 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.52 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 2.40 0.00 3.03 0.00 -1.26 -4.55 105.19 104.81 1e9j n GLY 72 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.60 1.64 3.22 -0.02 0.00 0.36 -5.10 105.19 105.89 1e9j n GLY 73 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.09 -1.97 -3.14 1.61 3.01 0.54 -4.63 117.46 111.79 1e9j n PHE 74 Ca 0.00 -0.07 -0.05 0.00 1.01 0.00 0.00 57.45 58.33 1e9j n PHE 74 Cb 0.00 -1.50 -0.02 0.00 -0.01 0.00 0.00 39.48 37.95 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 -3.78 0.85 0.00 -1.08 3.01 -1.26 -2.74 119.74 114.74 1e9j s LYS 75 Ca 0.54 -0.68 0.03 0.00 -1.01 0.00 0.00 55.97 54.85 1e9j s LYS 75 Cb -0.12 -0.18 0.16 0.00 -1.01 0.00 0.00 37.83 36.68 1e9j s LYS 75 CO 0.56 -1.24 1.10 1.33 0.51 0.00 0.00 175.35 177.62 1e9j n VAL 76 N 3.93 0.00 -3.07 3.17 0.24 -1.26 -4.79 118.33 116.55 1e9j n VAL 76 Ca 0.14 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.22 1e9j n VAL 76 Cb 0.54 -0.04 -0.04 0.00 -1.47 0.00 0.00 33.84 32.83 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 -0.54 -0.89 -0.24 7.34 -0.58 -1.26 -0.96 120.64 123.51 1e9j n GLU 77 Ca 0.02 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1e9j n GLU 77 Cb 0.01 -2.51 0.00 0.00 -0.57 0.00 0.00 31.44 28.37 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 -0.93 0.00 -4.27 1.62 5.15 -1.25 -0.39 115.26 115.19 1e9j n ASN 78 Ca 0.06 0.00 -0.61 0.00 -0.60 0.00 0.00 54.58 53.43 1e9j n ASN 78 Cb 0.24 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.39 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 -0.05 1.50 0.11 1.20 8.25 -0.14 0.06 115.22 126.14 1e9j n HIS 79 Ca 0.00 0.98 0.08 0.00 -0.26 0.00 0.00 57.72 58.52 1e9j n HIS 79 Cb 0.00 -2.06 -0.12 0.00 1.12 0.00 0.00 29.99 28.93 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 4.19 0.00 -3.55 1.59 -2.24 0.97 -4.84 114.28 110.40 1e9j n THR 80 Ca 0.33 -0.33 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1e9j n THR 80 Cb -0.05 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 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 -3.02 -1.76 0.09 6.98 0.00 -0.81 -4.87 121.76 118.35 1e9j s ALA 81 Ca -0.04 1.48 0.08 0.00 0.00 0.00 0.00 51.96 53.48 1e9j s ALA 81 Cb 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1e9j s ALA 81 CO 0.67 -0.36 -0.21 0.00 0.00 0.00 0.00 175.76 175.85 1e9j s HIS 83 N -1.03 -1.28 0.54 0.00 -3.43 -1.26 -4.43 115.29 104.40 1e9j s HIS 83 Ca 0.07 2.24 -0.19 0.00 -0.80 0.00 0.00 55.06 56.38 1e9j s HIS 83 Cb -0.10 0.77 -0.06 0.00 -1.43 0.00 0.00 32.58 31.76 1e9j s HIS 83 CO 0.04 -0.63 1.11 0.00 -2.00 0.00 0.00 174.74 173.25 1e9j n SER 85 N -1.30 0.00 -0.16 0.00 3.41 -0.60 -3.88 113.62 111.09 1e9j n SER 85 Ca 0.11 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.70 1e9j n SER 85 Cb 0.51 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1e9j n SER 85 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1e9j n THR 86 N -1.15 0.00 -2.03 6.66 5.66 -1.26 -3.94 114.28 118.22 1e9j n THR 86 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1e9j n THR 86 Cb 0.00 -0.02 0.10 0.00 -1.55 0.00 0.00 70.33 68.86 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1e9j n TYR 88 N -0.67 -0.78 -2.02 0.00 4.01 -1.26 -4.80 117.16 111.63 1e9j n TYR 88 Ca 0.23 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.63 1e9j n TYR 88 Cb 0.87 -2.14 -0.04 0.00 -0.31 0.00 0.00 39.34 37.72 1e9j n TYR 88 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1e9j s TYR 89 N -1.92 1.69 0.32 -0.72 5.04 -1.26 -4.94 117.35 115.55 1e9j s TYR 89 Ca 0.00 0.77 -0.29 0.00 -2.44 0.00 0.00 57.07 55.11 1e9j s TYR 89 Cb 0.00 -4.05 -0.12 0.00 0.35 0.00 0.00 41.96 38.14 1e9j s TYR 89 CO 0.00 -2.12 1.41 1.58 -1.34 0.00 0.00 175.55 175.08 1e9j n HIS 90 N 13.33 2.50 -3.95 4.97 -0.00 -1.26 -4.98 115.22 125.82 1e9j n HIS 90 Ca 0.28 0.45 -0.35 0.00 -0.00 0.00 0.00 57.72 58.10 1e9j n HIS 90 Cb 0.50 -2.48 -0.13 0.00 -0.00 0.00 0.00 29.99 27.88 1e9j n HIS 90 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1e9j s LYS 91 N -1.34 3.52 0.00 1.57 2.47 -1.26 -5.13 119.74 119.57 1e9j s LYS 91 Ca 0.59 -0.56 0.00 0.00 -1.56 0.00 0.00 55.97 54.45 1e9j s LYS 91 Cb -0.56 -3.10 0.00 0.00 -1.46 0.00 0.00 37.83 32.72 1e9j s LYS 91 CO 0.57 -0.12 0.39 0.45 0.16 0.00 0.00 175.35 176.81