#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9j s PRO 2 N 0.00 3.80 0.00 0.00 0.04 -1.26 -4.86 135.00 132.72 1e9j s PRO 2 Ca 0.00 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1e9j s PRO 2 Cb 0.00 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1e9j s PRO 2 CO 0.00 -1.27 0.00 -0.40 0.04 0.00 0.00 177.00 175.37 1e9j n ASP 3 N 8.00 0.00 -2.40 6.66 5.75 -1.26 -4.97 116.55 128.32 1e9j n ASP 3 Ca 0.15 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.78 1e9j n ASP 3 Cb 0.47 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.59 1e9j n ASP 3 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1e9j n VAL 4 N -1.58 1.96 -4.90 2.12 0.31 -1.26 -5.11 118.33 109.88 1e9j n VAL 4 Ca 0.00 -3.79 0.00 0.00 -0.01 0.00 0.00 64.34 60.54 1e9j n VAL 4 Cb 0.00 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 1e9j n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1e9j n GLN 5 N -0.59 0.00 0.00 5.55 6.02 -1.26 -5.03 117.38 122.08 1e9j n GLN 5 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1e9j n GLN 5 Cb 0.86 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.12 1e9j n GLN 5 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1e9j n ASP 6 N -0.44 0.00 -4.77 1.08 9.92 -1.26 -4.93 116.55 116.15 1e9j n ASP 6 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.88 1e9j n ASP 6 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1e9j n ASP 6 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1e9j n PRO 8 N -0.05 2.54 -4.05 0.00 -0.02 -1.26 -4.86 135.00 127.29 1e9j n PRO 8 Ca 0.05 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.23 1e9j n PRO 8 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.89 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 0.00 2.87 -0.14 -0.52 2.12 -1.25 -3.66 118.70 118.12 1e9j s GLU 9 Ca 0.00 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.33 1e9j s GLU 9 Cb 0.00 -2.71 -0.01 0.00 0.26 0.00 0.00 34.13 31.66 1e9j s GLU 9 CO 0.00 0.56 1.16 0.00 -0.54 0.00 0.00 175.26 176.44 1e9j s THR 11 N 2.84 0.00 0.14 0.00 -4.23 0.22 -4.78 115.64 109.84 1e9j s THR 11 Ca 0.52 -0.17 -0.35 0.00 -1.18 0.00 0.00 61.69 60.51 1e9j s THR 11 Cb -0.21 -1.39 -0.15 0.00 1.34 0.00 0.00 72.50 72.09 1e9j s THR 11 CO 0.15 0.00 1.43 0.18 -0.54 0.00 0.00 174.62 175.84 1e9j n LEU 12 N -0.29 2.40 -3.15 4.79 4.32 -1.26 0.19 117.00 124.00 1e9j n LEU 12 Ca -0.05 1.11 -0.22 0.00 -0.02 0.00 0.00 56.01 56.82 1e9j n LEU 12 Cb 0.61 -1.32 -0.04 0.00 -1.62 0.00 0.00 43.42 41.04 1e9j n LEU 12 CO 0.11 -0.69 -0.12 0.00 -1.22 0.00 0.00 177.39 175.47 1e9j n GLN 13 N 2.76 1.66 0.00 3.23 6.02 -1.24 -4.72 117.38 125.09 1e9j n GLN 13 Ca 0.17 -3.86 0.00 0.00 -0.01 0.00 0.00 57.00 53.30 1e9j n GLN 13 Cb 0.25 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.70 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 0.38 0.00 -1.52 -1.09 2.13 -1.25 -4.47 120.64 114.82 1e9j n GLU 14 Ca 0.26 0.00 -0.47 0.00 0.66 0.00 0.00 57.16 57.61 1e9j n GLU 14 Cb 0.55 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.20 1e9j n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1e9j n ASN 15 N 0.07 2.68 -0.64 4.31 2.85 0.41 -4.72 115.26 120.23 1e9j n ASN 15 Ca 0.00 0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 1e9j n ASN 15 Cb 0.00 -1.40 0.00 0.00 1.24 0.00 0.00 39.78 39.62 1e9j n ASN 15 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1e9j n PRO 16 N 8.45 0.89 0.07 1.20 -0.04 -1.26 -1.77 135.00 142.55 1e9j n PRO 16 Ca 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1e9j n PRO 16 Cb 0.33 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.19 -0.86 0.22 0.54 -0.00 -1.26 -4.79 117.46 111.50 1e9j n PHE 17 Ca 0.00 0.15 0.10 0.00 -0.00 0.00 0.00 57.45 57.70 1e9j n PHE 17 Cb 0.28 0.24 0.49 0.00 -0.00 0.00 0.00 39.48 40.50 1e9j n PHE 17 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.76 177.11 1e9j h PHE 18 N 0.00 0.00 -0.01 -5.13 3.04 -1.90 -3.43 116.94 109.51 1e9j h PHE 18 Ca 0.00 0.00 -0.48 0.00 3.98 0.00 0.00 57.97 61.47 1e9j h PHE 18 Cb 0.13 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 38.55 1e9j h PHE 18 CO 0.00 0.23 1.79 -1.13 -2.02 0.00 0.00 178.31 177.19 1e9j n SER 19 N -3.48 0.07 -4.53 0.41 3.41 -0.73 -4.61 113.62 104.17 1e9j n SER 19 Ca -0.00 0.08 -0.25 0.00 -0.26 0.00 0.00 58.87 58.43 1e9j n SER 19 Cb 0.40 -0.87 -0.10 0.00 -0.26 0.00 0.00 64.21 63.38 1e9j n SER 19 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1e9j s GLN 20 N 8.74 1.80 0.00 4.33 -0.21 0.33 -4.93 119.66 129.71 1e9j s GLN 20 Ca 1.35 -1.87 -0.19 0.00 0.02 0.00 0.00 55.36 54.67 1e9j s GLN 20 Cb -1.20 -1.74 -0.23 0.00 1.00 0.00 0.00 33.01 30.83 1e9j s GLN 20 CO 0.50 0.20 1.34 -2.30 -2.12 0.00 0.00 175.29 172.91 1e9j n PRO 21 N -0.76 0.00 0.00 2.91 -0.02 -1.26 -0.44 135.00 135.43 1e9j n PRO 21 Ca -0.05 -0.79 0.00 0.00 -2.02 0.00 0.00 63.50 60.64 1e9j n PRO 21 Cb 0.62 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 4.59 -0.66 3.08 -1.23 0.00 -1.26 -5.11 105.19 104.60 1e9j n GLY 22 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 -1.96 -0.95 4.61 0.00 0.42 -5.08 121.76 118.80 1e9j s ALA 23 Ca 0.00 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 1e9j s ALA 23 Cb 0.00 -2.20 0.29 0.00 0.00 0.00 0.00 23.12 21.21 1e9j s ALA 23 CO 0.00 -1.54 1.26 -0.35 0.00 0.00 0.00 175.76 175.13 1e9j n PRO 24 N 5.40 3.89 -0.35 0.00 -0.04 -1.26 0.12 135.00 142.76 1e9j n PRO 24 Ca 0.01 -4.59 0.00 0.00 -0.04 0.00 0.00 63.50 58.87 1e9j n PRO 24 Cb 0.52 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 1.20 0.00 -2.46 0.52 2.08 -1.26 -4.26 119.36 115.18 1e9j n ILE 25 Ca 0.27 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.58 1e9j n ILE 25 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.24 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 0.16 117.00 122.06 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 -0.93 3.23 7.27 -1.26 -3.97 117.38 121.72 1e9j n GLN 27 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.90 1e9j n GLN 27 Cb 0.00 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.52 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 4.70 3.13 0.00 0.00 1.75 0.50 -4.49 119.30 124.89 1e9j s MET 29 Ca 0.83 -0.90 0.00 0.00 -1.25 0.00 0.00 55.69 54.36 1e9j s MET 29 Cb -0.60 -2.71 0.00 0.00 2.84 0.00 0.00 34.83 34.36 1e9j s MET 29 CO 0.34 0.43 0.00 0.41 -0.65 0.00 0.00 175.02 175.55 1e9j n GLY 30 N -1.10 0.15 3.04 2.11 0.00 -1.26 0.71 105.19 108.84 1e9j n GLY 30 Ca -0.08 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 1e9j n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9j h PHE 33 N 6.29 0.00 -3.24 0.00 -5.15 -1.90 1.61 116.94 114.55 1e9j h PHE 33 Ca 0.11 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.88 1e9j h PHE 33 Cb 0.85 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.00 1e9j h PHE 33 CO 0.73 0.00 -0.31 0.43 -2.00 0.00 0.00 178.31 177.16 1e9j n SER 34 N -2.37 -2.02 -3.56 -0.68 7.64 -1.26 -4.87 113.62 106.51 1e9j n SER 34 Ca 0.04 0.30 -0.13 0.00 1.01 0.00 0.00 58.87 60.09 1e9j n SER 34 Cb 0.35 -1.88 -0.11 0.00 -1.01 0.00 0.00 64.21 61.56 1e9j n SER 34 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1e9j s ARG 35 N -1.09 0.22 2.63 1.43 3.52 -1.26 -5.09 118.95 119.32 1e9j s ARG 35 Ca -0.05 0.63 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 1e9j s ARG 35 Cb 0.00 -0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.06 1e9j s ARG 35 CO 0.13 -0.44 0.00 0.00 -0.81 0.00 0.00 175.30 174.18 1e9j n ALA 36 N 5.35 0.00 -3.82 6.12 0.00 -1.26 -4.82 120.51 122.08 1e9j n ALA 36 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 1e9j n ALA 36 Cb 0.50 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.77 1e9j n ALA 36 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1e9j s TYR 37 N 0.00 1.04 0.00 0.00 -0.85 -1.26 -5.15 117.35 111.14 1e9j s TYR 37 Ca 0.00 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.12 1e9j s TYR 37 Cb 0.00 -0.99 0.00 0.00 0.38 0.00 0.00 41.96 41.35 1e9j s TYR 37 CO 0.00 -0.40 0.00 -0.35 -1.52 0.00 0.00 175.55 173.28 1e9j n PRO 38 N 4.99 1.04 -3.18 -3.49 -0.04 -1.26 -4.84 135.00 128.22 1e9j n PRO 38 Ca -0.10 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.24 1e9j n PRO 38 Cb 0.50 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.97 1e9j n PRO 38 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1e9j n THR 39 N -0.91 -4.82 -1.89 0.52 -2.24 -1.26 -4.84 114.28 98.85 1e9j n THR 39 Ca 0.00 0.62 -0.41 0.00 -2.27 0.00 0.00 64.05 61.99 1e9j n THR 39 Cb 0.00 -4.11 -0.02 0.00 -2.10 0.00 0.00 70.33 64.11 1e9j n THR 39 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1e9j s PRO 40 N -1.63 4.19 0.00 -0.78 0.04 -1.26 -4.92 135.00 130.63 1e9j s PRO 40 Ca 0.13 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1e9j s PRO 40 Cb -0.02 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1e9j s PRO 40 CO 0.43 -0.50 0.00 1.28 0.04 0.00 0.00 177.00 178.25 1e9j n LEU 41 N 1.69 0.00 -1.64 -3.56 4.77 -1.26 -5.14 117.00 111.86 1e9j n LEU 41 Ca 0.05 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1e9j n LEU 41 Cb 0.39 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1e9j n LEU 41 CO 0.62 0.00 -0.06 0.54 -1.33 0.00 0.00 177.39 177.16 1e9j n ARG 42 N -0.78 -0.44 0.00 3.23 1.74 -1.26 -5.06 116.66 114.09 1e9j n ARG 42 Ca 0.00 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 1e9j n ARG 42 Cb 0.00 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 1e9j n ARG 42 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1e9j n SER 43 N 0.10 0.00 -4.42 0.55 7.64 -1.26 -5.18 113.62 111.05 1e9j n SER 43 Ca -0.01 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.61 1e9j n SER 43 Cb 0.01 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.10 1e9j n SER 43 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1e9j s LYS 44 N 0.00 1.52 0.00 1.43 1.02 -1.26 -5.04 119.74 117.40 1e9j s LYS 44 Ca 0.00 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.45 1e9j s LYS 44 Cb 0.00 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 1e9j s LYS 44 CO 0.00 0.38 0.00 1.63 -0.92 0.00 0.00 175.35 176.44 1e9j n LYS 45 N 0.18 0.00 0.00 1.68 5.02 -1.26 -5.09 118.16 118.69 1e9j n LYS 45 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1e9j n LYS 45 Cb 0.56 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 1e9j n LYS 45 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1e9j n THR 46 N -2.42 0.00 -3.63 -0.18 -2.24 -1.26 -5.18 114.28 99.36 1e9j n THR 46 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1e9j n THR 46 Cb 0.44 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.60 1e9j n THR 46 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1e9j s MET 47 N 0.00 0.72 -0.27 -0.78 0.00 -1.26 -5.17 119.30 112.53 1e9j s MET 47 Ca 0.00 0.96 -0.26 0.00 0.00 0.00 0.00 55.69 56.39 1e9j s MET 47 Cb 0.00 0.29 0.16 0.00 0.00 0.00 0.00 34.83 35.28 1e9j s MET 47 CO 0.00 -0.10 1.23 -1.17 0.00 0.00 0.00 175.02 174.97 1e9j s LEU 48 N 0.74 -0.24 0.69 4.11 2.96 -1.26 -5.16 118.68 120.52 1e9j s LEU 48 Ca -0.03 0.41 -0.17 0.00 -0.22 0.00 0.00 54.13 54.13 1e9j s LEU 48 Cb -0.05 1.48 0.01 0.00 0.50 0.00 0.00 46.19 48.13 1e9j s LEU 48 CO -0.07 -0.11 1.20 0.55 -1.32 0.00 0.00 176.35 176.61 1e9j n VAL 49 N 1.58 3.95 -0.99 1.68 3.14 -1.26 -4.92 118.33 121.51 1e9j n VAL 49 Ca -0.10 -0.42 -0.35 0.00 -2.96 0.00 0.00 64.34 60.51 1e9j n VAL 49 Cb 0.57 -1.35 0.07 0.00 -1.06 0.00 0.00 33.84 32.07 1e9j n VAL 49 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1e9j n GLN 50 N -2.13 -0.06 -3.25 1.45 0.00 -1.26 -4.92 117.38 107.21 1e9j n GLN 50 Ca 0.15 0.01 -0.38 0.00 0.00 0.00 0.00 57.00 56.77 1e9j n GLN 50 Cb 0.49 -1.42 -0.06 0.00 0.00 0.00 0.00 30.24 29.25 1e9j n GLN 50 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1e9j s LYS 51 N -2.60 4.31 0.00 2.61 2.20 -1.26 -4.91 119.74 120.09 1e9j s LYS 51 Ca 0.51 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.73 1e9j s LYS 51 Cb -0.24 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1e9j s LYS 51 CO 0.73 0.27 0.00 -1.71 -0.36 0.00 0.00 175.35 174.28 1e9j n ASN 52 N 3.16 0.00 -0.98 1.43 4.05 -1.26 -5.14 115.26 116.53 1e9j n ASN 52 Ca -0.07 0.00 0.13 0.00 0.45 0.00 0.00 54.58 55.09 1e9j n ASN 52 Cb 0.51 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.48 1e9j n ASN 52 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1e9j n VAL 53 N 0.00 0.00 -3.76 3.44 0.31 -1.26 -4.98 118.33 112.08 1e9j n VAL 53 Ca 0.00 0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 64.44 1e9j n VAL 53 Cb 0.00 -0.57 -0.12 0.00 -0.91 0.00 0.00 33.84 32.24 1e9j n VAL 53 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1e9j s THR 54 N -2.57 -0.02 -0.44 2.52 -1.32 -1.26 -5.07 115.64 107.48 1e9j s THR 54 Ca 0.00 0.08 -0.01 0.00 -1.21 0.00 0.00 61.69 60.55 1e9j s THR 54 Cb 0.00 -0.36 0.12 0.00 -1.51 0.00 0.00 72.50 70.75 1e9j s THR 54 CO 0.00 0.03 0.22 -0.55 -2.21 0.00 0.00 174.62 172.11 1e9j s SER 55 N 0.76 5.11 -0.30 8.08 0.15 -1.26 -5.01 113.70 121.23 1e9j s SER 55 Ca -0.05 -2.25 -0.13 0.00 0.70 0.00 0.00 55.95 54.22 1e9j s SER 55 Cb -0.06 -1.79 0.18 0.00 -1.71 0.00 0.00 66.02 62.64 1e9j s SER 55 CO -0.05 -0.47 1.03 -0.70 1.20 0.00 0.00 173.24 174.26 1e9j s GLU 56 N 0.81 0.20 0.17 5.44 -6.30 -1.26 -5.14 118.70 112.63 1e9j s GLU 56 Ca 0.11 0.37 -0.32 0.00 -2.50 0.00 0.00 54.97 52.63 1e9j s GLU 56 Cb -0.22 0.21 -0.11 0.00 0.00 0.00 0.00 34.13 34.01 1e9j s GLU 56 CO -0.04 -0.21 1.62 -1.54 0.02 0.00 0.00 175.26 175.10 1e9j s SER 57 N 2.91 6.53 1.00 -1.70 1.04 -1.26 -4.83 113.70 117.39 1e9j s SER 57 Ca -0.00 2.69 -0.00 0.00 0.48 0.00 0.00 55.95 59.11 1e9j s SER 57 Cb -0.10 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1e9j s SER 57 CO -0.12 -0.87 0.00 0.35 0.98 0.00 0.00 173.24 173.58 1e9j n THR 58 N 4.00 0.00 -1.57 2.02 -2.24 -1.26 -4.05 114.28 111.18 1e9j n THR 58 Ca 0.15 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1e9j n THR 58 Cb 0.38 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 1e9j n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j n VAL 61 N 4.55 0.00 0.00 0.00 3.14 -1.22 -4.28 118.33 120.53 1e9j n VAL 61 Ca 0.26 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.64 1e9j n VAL 61 Cb 0.08 -1.92 0.00 0.00 -1.06 0.00 0.00 33.84 30.94 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 8.41 -0.47 -0.01 1.55 0.00 -1.25 -4.55 120.51 124.19 1e9j n ALA 62 Ca 0.40 0.00 0.16 0.00 0.00 0.00 0.00 53.44 54.00 1e9j n ALA 62 Cb 0.36 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.42 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 1.33 0.15 -2.92 0.00 3.64 -1.15 -3.39 116.57 114.23 1e9j h LYS 63 Ca 0.00 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1e9j h LYS 63 Cb 0.00 -0.03 -0.30 0.00 -0.41 0.00 0.00 32.23 31.49 1e9j h LYS 63 CO 0.00 0.10 -0.47 -1.12 -2.27 0.00 0.00 179.45 175.69 1e9j s SER 64 N -6.31 -0.12 0.24 4.20 0.01 -1.22 -4.90 113.70 105.60 1e9j s SER 64 Ca -0.06 0.60 0.09 0.00 1.31 0.00 0.00 55.95 57.89 1e9j s SER 64 Cb 0.19 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 66.94 1e9j s SER 64 CO 0.73 -0.19 0.00 -0.72 0.41 0.00 0.00 173.24 173.47 1e9j s TYR 65 N 1.63 2.74 -0.10 2.43 1.13 -1.25 0.28 117.35 124.22 1e9j s TYR 65 Ca -0.06 -0.20 0.16 0.00 -1.41 0.00 0.00 57.07 55.56 1e9j s TYR 65 Cb -0.11 -1.25 0.36 0.00 -1.10 0.00 0.00 41.96 39.87 1e9j s TYR 65 CO -0.09 0.59 1.17 -1.71 -2.51 0.00 0.00 175.55 172.99 1e9j n ASN 66 N -0.69 1.33 0.00 -0.18 5.15 0.32 -4.76 115.26 116.42 1e9j n ASN 66 Ca -0.07 -2.89 0.00 0.00 -0.60 0.00 0.00 54.58 51.02 1e9j n ASN 66 Cb 0.58 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 1e9j n ASN 66 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1e9j n ARG 67 N -0.42 0.00 -2.74 1.20 0.63 -1.22 -3.98 116.66 110.13 1e9j n ARG 67 Ca 0.12 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.92 1e9j n ARG 67 Cb 0.86 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.78 1e9j n ARG 67 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1e9j n VAL 68 N 0.00 0.96 -0.50 5.15 0.24 -1.26 -4.61 118.33 118.31 1e9j n VAL 68 Ca 0.00 -3.54 -0.20 0.00 -2.04 0.00 0.00 64.34 58.56 1e9j n VAL 68 Cb 0.00 0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.63 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 -0.04 0.00 -3.83 3.34 -1.04 -1.24 -4.72 114.28 106.74 1e9j n THR 69 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1e9j n THR 69 Cb 0.77 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 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 1.22 0.00 0.00 12.58 0.31 -1.13 -4.71 118.33 126.60 1e9j n VAL 70 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1e9j n VAL 70 Cb -0.02 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 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 -0.10 0.00 0.00 5.55 2.81 -1.26 0.27 117.12 124.40 1e9j n MET 71 Ca 0.00 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.93 1e9j n MET 71 Cb 0.00 0.00 0.24 0.00 -0.71 0.00 0.00 33.22 32.75 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 -0.48 0.00 3.03 0.00 -1.26 -4.50 105.19 101.97 1e9j n GLY 72 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.03 0.61 3.23 -0.02 0.00 0.29 -5.15 105.19 104.13 1e9j n GLY 73 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.58 -3.27 1.61 3.01 0.77 -4.66 117.46 112.35 1e9j n PHE 74 Ca 0.00 -0.35 -0.07 0.00 1.01 0.00 0.00 57.45 58.03 1e9j n PHE 74 Cb 0.00 -1.46 -0.04 0.00 -0.01 0.00 0.00 39.48 37.97 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 -4.31 0.75 -0.01 -1.08 1.02 -1.26 -2.84 119.74 112.00 1e9j s LYS 75 Ca 0.59 -0.57 0.08 0.00 0.02 0.00 0.00 55.97 56.09 1e9j s LYS 75 Cb -0.14 -0.29 0.25 0.00 -0.52 0.00 0.00 37.83 37.13 1e9j s LYS 75 CO 0.55 -1.20 1.17 1.33 -0.92 0.00 0.00 175.35 176.28 1e9j n VAL 76 N 4.29 0.46 -2.53 3.17 0.24 -1.26 -4.83 118.33 117.87 1e9j n VAL 76 Ca 0.11 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.34 61.89 1e9j n VAL 76 Cb 0.52 0.10 -0.03 0.00 -1.47 0.00 0.00 33.84 32.96 1e9j n VAL 76 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1e9j n GLU 77 N 0.29 -0.91 0.00 7.34 0.00 -1.26 -1.31 120.64 124.79 1e9j n GLU 77 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.30 1e9j n GLU 77 Cb 0.28 -1.56 0.00 0.00 0.00 0.00 0.00 31.44 30.16 1e9j n GLU 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1e9j n ASN 78 N -0.29 0.00 -4.58 -1.84 5.15 -1.26 -0.62 115.26 111.82 1e9j n ASN 78 Ca 0.04 0.00 -0.59 0.00 -0.60 0.00 0.00 54.58 53.42 1e9j n ASN 78 Cb 0.15 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.31 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 1.74 0.06 1.20 8.25 -0.43 0.12 115.22 126.15 1e9j n HIS 79 Ca 0.00 0.67 0.11 0.00 -0.26 0.00 0.00 57.72 58.24 1e9j n HIS 79 Cb 0.00 -2.39 -0.13 0.00 1.12 0.00 0.00 29.99 28.59 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 5.31 0.13 -3.91 1.59 -2.24 0.81 -4.86 114.28 111.11 1e9j n THR 80 Ca 0.36 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 1e9j n THR 80 Cb 0.07 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 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 -3.46 -0.45 -0.21 6.98 0.00 -0.41 -4.85 121.76 119.36 1e9j s ALA 81 Ca -0.06 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.09 1e9j s ALA 81 Cb 0.13 0.96 0.06 0.00 0.00 0.00 0.00 23.12 24.28 1e9j s ALA 81 CO 0.88 -0.82 0.53 0.00 0.00 0.00 0.00 175.76 176.36 1e9j s HIS 83 N 1.17 -0.24 0.42 0.00 -3.43 -1.26 -4.62 115.29 107.33 1e9j s HIS 83 Ca -0.07 0.16 0.07 0.00 -0.80 0.00 0.00 55.06 54.42 1e9j s HIS 83 Cb -0.06 -0.39 0.07 0.00 -1.43 0.00 0.00 32.58 30.76 1e9j s HIS 83 CO -0.11 -0.61 0.56 0.00 -2.00 0.00 0.00 174.74 172.58 1e9j n SER 85 N -2.44 0.07 -0.70 0.00 2.88 -1.26 -4.78 113.62 107.38 1e9j n SER 85 Ca 0.11 -2.10 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 1e9j n SER 85 Cb 0.44 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1e9j n SER 85 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1e9j n THR 86 N -0.87 -0.72 -4.12 2.46 -1.04 -1.25 -4.65 114.28 104.09 1e9j n THR 86 Ca -0.06 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.66 1e9j n THR 86 Cb 0.85 -1.77 -0.07 0.00 -1.82 0.00 0.00 70.33 67.52 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1e9j s TYR 88 N -1.41 1.15 0.19 0.00 5.04 -1.26 -1.89 117.35 119.17 1e9j s TYR 88 Ca 0.27 -1.09 -0.31 0.00 -2.44 0.00 0.00 57.07 53.50 1e9j s TYR 88 Cb -0.11 -0.65 -0.16 0.00 0.35 0.00 0.00 41.96 41.38 1e9j s TYR 88 CO 0.19 -0.31 0.93 0.98 -1.34 0.00 0.00 175.55 176.01 1e9j n TYR 89 N -0.22 0.71 0.18 4.97 4.19 -1.26 -4.80 117.16 120.93 1e9j n TYR 89 Ca -0.06 0.81 0.00 0.00 3.31 0.00 0.00 57.90 61.96 1e9j n TYR 89 Cb 0.64 -2.16 0.00 0.00 0.49 0.00 0.00 39.34 38.31 1e9j n TYR 89 CO 0.00 0.00 0.00 -2.39 0.91 0.00 0.00 176.86 175.38 1e9j n HIS 90 N 0.73 -4.22 -0.82 2.98 1.44 -1.26 -5.03 115.22 109.05 1e9j n HIS 90 Ca 0.15 1.26 0.00 0.00 -2.01 0.00 0.00 57.72 57.12 1e9j n HIS 90 Cb 0.25 3.23 0.00 0.00 0.12 0.00 0.00 29.99 33.59 1e9j n HIS 90 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1e9j n LYS 91 N -3.24 0.00 0.00 -1.40 2.85 -1.26 -5.36 118.16 109.74 1e9j n LYS 91 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1e9j n LYS 91 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1e9j n LYS 91 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78