#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 0.96 -3.65 0.00 -0.02 -1.26 -4.65 135.00 126.39 1e9j n PRO 2 Ca 0.00 -0.25 -0.02 0.00 -2.02 0.00 0.00 63.50 61.21 1e9j n PRO 2 Cb 0.00 -1.40 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 1e9j n PRO 2 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1e9j s ASP 3 N 2.11 -0.36 0.02 2.55 -4.77 -1.26 -5.18 116.67 109.78 1e9j s ASP 3 Ca 0.17 0.58 -0.22 0.00 -3.30 0.00 0.00 52.55 49.79 1e9j s ASP 3 Cb 0.08 1.08 0.05 0.00 -1.09 0.00 0.00 42.92 43.04 1e9j s ASP 3 CO 0.00 -0.09 0.49 0.54 0.70 0.00 0.00 175.17 176.81 1e9j s VAL 4 N 1.12 0.03 -0.04 2.11 0.11 -1.26 -5.04 120.40 117.44 1e9j s VAL 4 Ca -0.07 -0.28 0.05 0.00 -2.93 0.00 0.00 61.98 58.75 1e9j s VAL 4 Cb -0.03 -0.92 0.08 0.00 -1.53 0.00 0.00 36.38 33.98 1e9j s VAL 4 CO -0.13 -0.16 0.95 0.00 -3.33 0.00 0.00 175.10 172.43 1e9j n GLN 5 N 0.63 1.48 -4.29 1.54 3.00 -1.26 -5.05 117.38 113.42 1e9j n GLN 5 Ca -0.19 -1.54 -0.25 0.00 -0.01 0.00 0.00 57.00 55.01 1e9j n GLN 5 Cb 0.59 -0.97 -0.08 0.00 0.00 0.00 0.00 30.24 29.78 1e9j n GLN 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1e9j s ASP 6 N -1.35 4.40 0.01 1.08 1.01 -1.26 -5.05 116.67 115.50 1e9j s ASP 6 Ca 0.09 -0.60 -0.19 0.00 0.71 0.00 0.00 52.55 52.56 1e9j s ASP 6 Cb 0.08 -0.79 -0.25 0.00 1.01 0.00 0.00 42.92 42.97 1e9j s ASP 6 CO 0.01 0.06 1.07 0.00 0.21 0.00 0.00 175.17 176.52 1e9j n PRO 8 N -4.14 0.00 0.00 0.00 -0.02 -1.26 -3.21 135.00 126.37 1e9j n PRO 8 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1e9j n PRO 8 Cb 0.74 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 33.23 1e9j n PRO 8 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1e9j n GLU 9 N 3.91 0.00 -1.38 -0.52 2.13 0.58 -4.91 120.64 120.45 1e9j n GLU 9 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 1e9j n GLU 9 Cb 0.36 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.13 1e9j n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1e9j n THR 11 N -2.14 0.00 -4.06 0.00 5.66 -1.26 -4.81 114.28 107.66 1e9j n THR 11 Ca 0.11 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.76 1e9j n THR 11 Cb 0.49 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.20 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 0.00 4.06 -0.63 1.09 1.02 -1.26 0.28 118.68 123.24 1e9j s LEU 12 Ca 0.00 0.30 0.04 0.00 0.02 0.00 0.00 54.13 54.49 1e9j s LEU 12 Cb 0.00 -2.10 0.36 0.00 0.02 0.00 0.00 46.19 44.47 1e9j s LEU 12 CO 0.00 0.36 1.18 0.00 0.02 0.00 0.00 176.35 177.91 1e9j n GLN 13 N 1.76 3.59 0.00 1.70 6.02 -1.24 -4.64 117.38 124.57 1e9j n GLN 13 Ca -0.17 -4.68 0.00 0.00 -0.01 0.00 0.00 57.00 52.14 1e9j n GLN 13 Cb 0.54 -2.28 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 -0.29 0.00 -1.67 -1.09 2.13 -1.25 -4.48 120.64 113.99 1e9j n GLU 14 Ca 0.37 0.00 -0.56 0.00 0.66 0.00 0.00 57.16 57.63 1e9j n GLU 14 Cb 0.42 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.06 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 0.22 2.12 -0.55 4.31 2.85 0.26 -4.74 115.26 119.72 1e9j n ASN 15 Ca 0.00 1.09 0.01 0.00 -0.11 0.00 0.00 54.58 55.57 1e9j n ASN 15 Cb 0.00 -1.15 0.05 0.00 1.24 0.00 0.00 39.78 39.92 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 4.39 1.46 0.03 1.20 -0.04 -1.26 -2.02 135.00 138.76 1e9j n PRO 16 Ca 0.24 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1e9j n PRO 16 Cb 0.15 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.01 -0.35 0.19 0.54 7.35 -1.26 -4.78 117.46 119.15 1e9j n PHE 17 Ca 0.04 0.06 0.06 0.00 -0.76 0.00 0.00 57.45 56.85 1e9j n PHE 17 Cb 0.30 0.21 0.30 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 0.00 0.00 -0.34 -5.13 3.57 -1.88 -3.44 116.94 109.72 1e9j h PHE 18 Ca 0.00 0.00 -0.59 0.00 3.53 0.00 0.00 57.97 60.91 1e9j h PHE 18 Cb 0.40 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 1e9j h PHE 18 CO 0.00 0.37 1.59 -1.13 -2.23 0.00 0.00 178.31 176.91 1e9j n SER 19 N -3.44 0.91 -4.11 0.41 3.41 -0.86 -4.50 113.62 105.43 1e9j n SER 19 Ca 0.00 0.26 -0.09 0.00 -0.26 0.00 0.00 58.87 58.78 1e9j n SER 19 Cb 0.54 -1.04 -0.10 0.00 -0.26 0.00 0.00 64.21 63.34 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 7.77 0.67 0.00 4.33 -2.07 0.37 -4.93 119.66 125.79 1e9j s GLN 20 Ca 1.24 -1.19 -0.17 0.00 -1.82 0.00 0.00 55.36 53.42 1e9j s GLN 20 Cb -1.13 0.01 -0.20 0.00 -1.09 0.00 0.00 33.01 30.59 1e9j s GLN 20 CO 0.51 -0.06 1.14 -2.30 -1.32 0.00 0.00 175.29 173.25 1e9j n PRO 21 N 0.25 0.00 0.00 9.60 -0.02 -1.26 0.71 135.00 144.28 1e9j n PRO 21 Ca -0.15 -0.62 0.00 0.00 -2.02 0.00 0.00 63.50 60.71 1e9j n PRO 21 Cb 0.60 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 4.32 -0.39 2.99 -1.23 0.00 -1.26 -5.09 105.19 104.52 1e9j n GLY 22 Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.04 -1.58 -0.92 4.61 0.00 0.22 -5.08 121.76 118.97 1e9j s ALA 23 Ca 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 1e9j s ALA 23 Cb 0.00 -2.27 0.27 0.00 0.00 0.00 0.00 23.12 21.12 1e9j s ALA 23 CO 0.00 -1.86 1.11 -0.35 0.00 0.00 0.00 175.76 174.66 1e9j n PRO 24 N 5.17 3.51 -0.23 0.00 -0.04 -1.26 0.14 135.00 142.29 1e9j n PRO 24 Ca 0.04 -4.58 -0.03 0.00 -0.04 0.00 0.00 63.50 58.89 1e9j n PRO 24 Cb 0.51 -2.42 0.03 0.00 -0.04 0.00 0.00 33.50 31.58 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 1.43 0.00 -2.84 0.52 2.08 -1.26 -4.43 119.36 114.86 1e9j n ILE 25 Ca 0.26 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.57 1e9j n ILE 25 Cb 0.36 -0.10 0.00 0.00 -0.75 0.00 0.00 39.64 39.16 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 0.89 117.00 122.79 1e9j n LEU 26 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1e9j n LEU 26 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1e9j n LEU 26 CO 0.04 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.77 1e9j n GLN 27 N 0.00 0.00 0.00 3.23 7.27 -1.26 -3.96 117.38 122.65 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 0.77 0.00 0.00 0.00 0.81 -4.76 119.30 116.13 1e9j s MET 29 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 55.69 55.38 1e9j s MET 29 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 34.83 34.91 1e9j s MET 29 CO 0.00 -1.10 0.00 0.41 0.00 0.00 0.00 175.02 174.33 1e9j n GLY 30 N 4.19 4.44 2.54 2.11 0.00 -1.25 -4.41 105.19 112.82 1e9j n GLY 30 Ca 0.11 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 1.73 -0.83 -3.99 0.00 3.01 -1.26 -4.69 117.46 111.42 1e9j n PHE 33 Ca 0.62 0.34 -0.13 0.00 1.01 0.00 0.00 57.45 59.29 1e9j n PHE 33 Cb 0.28 -1.82 -0.14 0.00 -0.01 0.00 0.00 39.48 37.80 1e9j n PHE 33 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1e9j s SER 34 N -3.93 0.29 0.00 4.37 0.01 -1.26 -4.88 113.70 108.30 1e9j s SER 34 Ca 0.05 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1e9j s SER 34 Cb -0.03 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1e9j s SER 34 CO 0.65 -0.02 0.00 -2.11 0.41 0.00 0.00 173.24 172.17 1e9j n ARG 35 N 2.78 -2.03 -1.33 12.44 1.85 -1.26 -5.05 116.66 124.06 1e9j n ARG 35 Ca -0.14 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.34 1e9j n ARG 35 Cb 0.59 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 32.06 1e9j n ARG 35 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1e9j n ALA 36 N 0.00 -1.14 0.00 2.89 0.00 -1.26 -4.60 120.51 116.40 1e9j n ALA 36 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1e9j n ALA 36 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1e9j n ALA 36 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1e9j n TYR 37 N -2.26 0.00 -0.00 0.00 9.36 -1.26 -5.14 117.16 117.86 1e9j n TYR 37 Ca 0.11 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.33 1e9j n TYR 37 Cb 0.49 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.20 1e9j n TYR 37 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1e9j n PRO 38 N 0.00 0.91 -3.53 2.98 -0.04 -1.26 -5.04 135.00 129.02 1e9j n PRO 38 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1e9j n PRO 38 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 1e9j n PRO 38 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1e9j s THR 39 N -0.03 -0.13 0.78 0.52 2.01 -1.26 -5.14 115.64 112.39 1e9j s THR 39 Ca 0.00 -0.63 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 1e9j s THR 39 Cb 0.00 -0.93 -0.12 0.00 0.01 0.00 0.00 72.50 71.46 1e9j s THR 39 CO 0.00 -0.63 -0.29 -0.81 -0.69 0.00 0.00 174.62 172.21 1e9j n PRO 40 N 5.26 0.03 -3.15 4.92 -0.04 -1.26 -5.01 135.00 135.76 1e9j n PRO 40 Ca -0.06 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.48 1e9j n PRO 40 Cb 0.44 -1.18 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 1e9j n PRO 40 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1e9j s LEU 41 N 5.11 -0.06 -1.32 1.53 2.34 -1.26 -5.07 118.68 119.94 1e9j s LEU 41 Ca 0.51 0.04 -0.17 0.00 0.06 0.00 0.00 54.13 54.56 1e9j s LEU 41 Cb -0.32 1.05 0.04 0.00 -0.56 0.00 0.00 46.19 46.40 1e9j s LEU 41 CO 0.72 -0.01 1.91 -1.14 -1.06 0.00 0.00 176.35 176.77 1e9j n ARG 42 N 5.45 2.90 -0.51 1.48 0.63 -1.26 -4.79 116.66 120.55 1e9j n ARG 42 Ca -0.07 -2.95 -0.00 0.00 -0.92 0.00 0.00 57.85 53.90 1e9j n ARG 42 Cb 0.55 -3.43 -0.00 0.00 0.45 0.00 0.00 32.46 30.03 1e9j n ARG 42 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1e9j n SER 43 N 8.10 5.37 0.00 6.15 7.64 -1.26 -4.73 113.62 134.88 1e9j n SER 43 Ca 0.50 -2.42 0.00 0.00 1.01 0.00 0.00 58.87 57.96 1e9j n SER 43 Cb 0.44 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1e9j n SER 43 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1e9j n LYS 44 N 1.49 0.00 -0.80 1.43 5.02 -1.26 -3.92 118.16 120.12 1e9j n LYS 44 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1e9j n LYS 44 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1e9j n LYS 44 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1e9j n LYS 45 N 0.00 0.00 -1.64 1.97 0.00 -1.26 -5.00 118.16 112.23 1e9j n LYS 45 Ca 0.00 0.34 -0.45 0.00 0.00 0.00 0.00 58.31 58.20 1e9j n LYS 45 Cb 0.00 -3.09 -0.03 0.00 0.00 0.00 0.00 35.03 31.92 1e9j n LYS 45 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1e9j n THR 46 N -2.80 1.17 -2.72 3.15 5.66 -1.25 -4.92 114.28 112.57 1e9j n THR 46 Ca 0.00 -0.29 -0.04 0.00 -3.05 0.00 0.00 64.05 60.67 1e9j n THR 46 Cb 0.00 -1.27 0.09 0.00 -1.55 0.00 0.00 70.33 67.60 1e9j n THR 46 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1e9j n MET 47 N 1.65 1.38 -0.96 1.09 0.00 -1.26 -4.93 117.12 114.09 1e9j n MET 47 Ca 0.11 -2.36 -0.12 0.00 0.00 0.00 0.00 57.70 55.33 1e9j n MET 47 Cb 0.30 -0.55 0.21 0.00 0.00 0.00 0.00 33.22 33.19 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 -0.78 5.82 -3.16 -0.89 -0.00 -1.26 -4.62 117.00 112.12 1e9j n LEU 48 Ca -0.03 -3.06 -0.14 0.00 -0.00 0.00 0.00 56.01 52.79 1e9j n LEU 48 Cb 0.84 -0.75 -0.05 0.00 -0.00 0.00 0.00 43.42 43.46 1e9j n LEU 48 CO 0.01 0.84 -0.09 0.68 -0.00 0.00 0.00 177.39 178.83 1e9j s VAL 49 N -2.71 -0.43 0.00 1.96 -7.23 -1.26 -5.14 120.40 105.60 1e9j s VAL 49 Ca 0.48 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 1e9j s VAL 49 Cb 0.39 -0.54 0.00 0.00 0.56 0.00 0.00 36.38 36.79 1e9j s VAL 49 CO 0.11 -0.52 0.00 0.00 -0.31 0.00 0.00 175.10 174.38 1e9j n GLN 50 N 3.43 0.00 -0.40 4.82 6.02 -1.26 -4.96 117.38 125.03 1e9j n GLN 50 Ca 0.19 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.23 1e9j n GLN 50 Cb 0.51 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.74 1e9j n GLN 50 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1e9j n LYS 51 N 0.00 -0.90 -3.38 -1.09 4.81 -1.26 -4.95 118.16 111.38 1e9j n LYS 51 Ca 0.00 0.72 -0.19 0.00 -0.87 0.00 0.00 58.31 57.97 1e9j n LYS 51 Cb 0.00 -1.06 -0.09 0.00 0.02 0.00 0.00 35.03 33.90 1e9j n LYS 51 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1e9j s ASN 52 N -5.12 1.48 -0.03 3.14 4.22 -1.26 -5.03 114.94 112.34 1e9j s ASN 52 Ca 0.00 -1.57 -0.02 0.00 -2.14 0.00 0.00 52.86 49.12 1e9j s ASN 52 Cb 0.00 0.42 0.00 0.00 1.28 0.00 0.00 41.25 42.95 1e9j s ASN 52 CO 0.00 -0.28 0.04 1.33 -2.04 0.00 0.00 177.10 176.15 1e9j n VAL 53 N 4.34 -1.21 -1.46 3.54 0.24 -1.26 -4.86 118.33 117.66 1e9j n VAL 53 Ca 0.10 0.25 -0.09 0.00 -2.04 0.00 0.00 64.34 62.55 1e9j n VAL 53 Cb 0.44 -1.67 0.18 0.00 -1.47 0.00 0.00 33.84 31.32 1e9j n VAL 53 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1e9j n THR 54 N 0.82 2.68 -0.02 3.34 -1.04 -1.26 -4.42 114.28 114.39 1e9j n THR 54 Ca -0.01 -2.75 0.00 0.00 -2.04 0.00 0.00 64.05 59.25 1e9j n THR 54 Cb 0.29 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 1e9j n THR 54 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1e9j n SER 55 N -1.10 1.21 -4.05 8.00 2.88 -1.26 -5.04 113.62 114.25 1e9j n SER 55 Ca 0.38 -1.22 -0.07 0.00 -1.33 0.00 0.00 58.87 56.63 1e9j n SER 55 Cb 1.10 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.46 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 -0.22 0.61 0.00 -1.46 -1.05 -1.26 -4.93 118.70 110.38 1e9j s GLU 56 Ca 0.00 -1.11 0.00 0.00 -0.15 0.00 0.00 54.97 53.71 1e9j s GLU 56 Cb 0.00 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 1e9j s GLU 56 CO 0.00 -0.12 0.00 0.43 0.95 0.00 0.00 175.26 176.52 1e9j n SER 57 N 0.26 0.00 0.00 0.83 7.64 -1.26 -5.02 113.62 116.06 1e9j n SER 57 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1e9j n SER 57 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1e9j n SER 57 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1e9j n THR 58 N 0.00 0.00 -3.65 0.44 -2.24 -1.26 -5.02 114.28 102.55 1e9j n THR 58 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1e9j n THR 58 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 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 2.01 3.67 -1.14 0.00 0.31 -1.26 -4.52 118.33 117.41 1e9j n VAL 61 Ca 0.25 -3.21 0.00 0.00 -0.01 0.00 0.00 64.34 61.37 1e9j n VAL 61 Cb 0.42 -2.56 0.00 0.00 -0.91 0.00 0.00 33.84 30.79 1e9j n VAL 61 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1e9j n ALA 62 N 5.52 -1.00 -0.24 3.52 0.00 -1.25 -4.71 120.51 122.35 1e9j n ALA 62 Ca 0.52 0.00 0.11 0.00 0.00 0.00 0.00 53.44 54.07 1e9j n ALA 62 Cb 0.37 -0.27 0.38 0.00 0.00 0.00 0.00 19.45 19.93 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 3.56 0.66 -2.97 0.00 3.64 1.60 -3.39 116.57 119.67 1e9j h LYS 63 Ca 0.00 -0.04 -0.25 0.00 -1.27 0.00 0.00 60.65 59.09 1e9j h LYS 63 Cb 0.00 -0.15 -0.34 0.00 -0.41 0.00 0.00 32.23 31.33 1e9j h LYS 63 CO 0.00 0.44 -0.58 -1.12 -2.27 0.00 0.00 179.45 175.92 1e9j s SER 64 N -5.89 0.53 0.14 4.20 0.01 -0.41 -4.90 113.70 107.39 1e9j s SER 64 Ca -0.10 0.47 0.05 0.00 1.31 0.00 0.00 55.95 57.69 1e9j s SER 64 Cb 0.21 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.90 1e9j s SER 64 CO 0.78 -0.24 0.10 -0.72 0.41 0.00 0.00 173.24 173.57 1e9j s TYR 65 N 2.34 3.11 -0.14 2.43 -0.85 -1.25 0.25 117.35 123.25 1e9j s TYR 65 Ca 0.02 -0.01 0.15 0.00 -0.52 0.00 0.00 57.07 56.70 1e9j s TYR 65 Cb -0.12 -1.52 0.37 0.00 0.38 0.00 0.00 41.96 41.07 1e9j s TYR 65 CO -0.07 0.52 1.18 -1.71 -1.52 0.00 0.00 175.55 173.95 1e9j n ASN 66 N -0.12 1.60 0.00 -0.18 5.15 0.46 -4.77 115.26 117.40 1e9j n ASN 66 Ca -0.09 -3.28 0.00 0.00 -0.60 0.00 0.00 54.58 50.61 1e9j n ASN 66 Cb 0.54 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 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 -0.82 0.00 -2.52 1.20 0.00 -1.23 -3.96 116.66 109.33 1e9j n ARG 67 Ca 0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.84 1e9j n ARG 67 Cb 0.76 0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.25 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 1.75 -0.07 5.15 0.24 -1.26 -4.59 118.33 119.55 1e9j n VAL 68 Ca 0.00 -3.85 -0.03 0.00 -2.04 0.00 0.00 64.34 58.42 1e9j n VAL 68 Cb 0.00 -0.17 -0.00 0.00 -1.47 0.00 0.00 33.84 32.20 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 -0.40 0.00 -2.82 3.34 -1.04 -1.25 -4.76 114.28 107.35 1e9j n THR 69 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1e9j n THR 69 Cb 0.79 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.28 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 0.16 0.00 -0.33 12.58 0.31 -1.01 -4.71 118.33 125.33 1e9j n VAL 70 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.24 1e9j n VAL 70 Cb -0.00 -0.13 -0.00 0.00 -0.91 0.00 0.00 33.84 32.80 1e9j n VAL 70 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1e9j n MET 71 N 0.00 0.00 -2.10 5.55 0.00 -1.26 0.29 117.12 119.60 1e9j n MET 71 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.68 1e9j n MET 71 Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 33.22 32.96 1e9j n MET 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1e9j n GLY 72 N 0.58 -0.30 2.12 3.17 0.00 -1.26 0.21 105.19 109.71 1e9j n GLY 72 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.41 0.20 3.03 -0.02 0.00 0.28 -4.99 105.19 103.29 1e9j n GLY 73 Ca -0.03 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.88 -1.54 -3.18 1.61 3.72 0.82 -4.49 117.46 110.52 1e9j n PHE 74 Ca -0.07 0.57 -0.07 0.00 -0.05 0.00 0.00 57.45 57.83 1e9j n PHE 74 Cb 0.51 -1.41 -0.03 0.00 -0.94 0.00 0.00 39.48 37.62 1e9j n PHE 74 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1e9j s LYS 75 N -2.18 0.83 -0.04 -1.08 1.02 -1.26 -2.41 119.74 114.62 1e9j s LYS 75 Ca 0.39 -0.73 0.09 0.00 0.02 0.00 0.00 55.97 55.74 1e9j s LYS 75 Cb 0.06 -0.28 0.32 0.00 -0.52 0.00 0.00 37.83 37.41 1e9j s LYS 75 CO 0.67 -1.23 1.17 1.33 -0.92 0.00 0.00 175.35 176.37 1e9j n VAL 76 N 3.97 0.72 -2.42 3.17 0.24 -1.26 -4.86 118.33 117.89 1e9j n VAL 76 Ca 0.14 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.34 61.87 1e9j n VAL 76 Cb 0.53 -0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.88 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 0.39 -0.97 -0.24 7.34 0.00 -1.26 -1.27 120.64 124.63 1e9j n GLU 77 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.29 1e9j n GLU 77 Cb 0.42 -0.74 0.00 0.00 0.00 0.00 0.00 31.44 31.11 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 -0.02 0.00 -4.50 -1.84 2.85 -1.25 -1.29 115.26 109.21 1e9j n ASN 78 Ca -0.02 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.01 1e9j n ASN 78 Cb 0.10 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.05 1e9j n ASN 78 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1e9j n HIS 79 N -0.03 1.42 0.47 1.20 8.25 -0.40 0.17 115.22 126.31 1e9j n HIS 79 Ca 0.00 0.20 0.11 0.00 -0.26 0.00 0.00 57.72 57.78 1e9j n HIS 79 Cb 0.00 -2.56 -0.01 0.00 1.12 0.00 0.00 29.99 28.54 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 7.54 0.18 -3.65 1.59 -2.24 0.70 -4.88 114.28 113.53 1e9j n THR 80 Ca 0.43 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.81 1e9j n THR 80 Cb 0.31 0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.63 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 -3.24 -1.66 -0.06 6.98 0.00 0.30 -4.82 121.76 119.26 1e9j s ALA 81 Ca 0.02 2.03 0.03 0.00 0.00 0.00 0.00 51.96 54.03 1e9j s ALA 81 Cb 0.14 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1e9j s ALA 81 CO 0.82 -0.33 -0.13 0.00 0.00 0.00 0.00 175.76 176.12 1e9j s HIS 83 N 0.49 0.68 0.19 0.00 -3.43 -1.26 -4.65 115.29 107.31 1e9j s HIS 83 Ca -0.11 -0.58 -0.30 0.00 -0.80 0.00 0.00 55.06 53.27 1e9j s HIS 83 Cb -0.14 -0.88 -0.08 0.00 -1.43 0.00 0.00 32.58 30.05 1e9j s HIS 83 CO 0.03 -0.54 1.18 0.00 -2.00 0.00 0.00 174.74 173.42 1e9j n SER 85 N 2.36 -1.03 -2.70 0.00 3.41 0.99 -4.77 113.62 111.88 1e9j n SER 85 Ca 0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.59 1e9j n SER 85 Cb 0.45 -0.26 0.04 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.68 1.37 -0.59 6.66 5.66 -0.99 -4.85 114.28 120.85 1e9j n THR 86 Ca 0.00 -3.17 0.05 0.00 -3.05 0.00 0.00 64.05 57.89 1e9j n THR 86 Cb 0.26 0.79 0.34 0.00 -1.55 0.00 0.00 70.33 70.17 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1e9j s TYR 88 N -2.48 2.76 0.72 0.00 -0.85 -1.26 -4.83 117.35 111.41 1e9j s TYR 88 Ca 0.46 -0.35 -0.14 0.00 -0.52 0.00 0.00 57.07 56.52 1e9j s TYR 88 Cb 0.35 -1.73 0.04 0.00 0.38 0.00 0.00 41.96 41.00 1e9j s TYR 88 CO 0.13 0.03 1.13 0.71 -1.52 0.00 0.00 175.55 176.03 1e9j s TYR 89 N -0.28 2.37 0.00 -3.49 1.51 -1.26 -4.79 117.35 111.41 1e9j s TYR 89 Ca 0.02 1.59 0.00 0.00 -1.01 0.00 0.00 57.07 57.67 1e9j s TYR 89 Cb -0.13 -3.24 0.00 0.00 -0.11 0.00 0.00 41.96 38.49 1e9j s TYR 89 CO 0.03 -2.05 0.00 1.58 -1.11 0.00 0.00 175.55 174.00 1e9j n HIS 90 N -2.90 0.00 -4.16 2.71 -0.00 -1.26 -4.69 115.22 104.92 1e9j n HIS 90 Ca 0.11 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.90 1e9j n HIS 90 Cb 0.52 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.36 1e9j n HIS 90 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1e9j n LYS 91 N 0.00 -0.71 -0.37 1.57 4.81 -1.26 -5.21 118.16 117.00 1e9j n LYS 91 Ca 0.00 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1e9j n LYS 91 Cb 0.00 -3.09 0.00 0.00 0.02 0.00 0.00 35.03 31.96 1e9j n LYS 91 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02