#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o6j h SER 17 N 0.00 0.06 0.84 6.12 4.64 -1.93 -2.59 113.55 120.68 1o6j h SER 17 Ca 0.00 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1o6j h SER 17 Cb 0.00 0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1o6j h SER 17 CO 0.00 -0.03 -0.40 1.23 -0.87 0.00 0.00 176.83 176.76 1o6j h GLY 18 N 0.03 -1.18 1.48 -0.77 0.00 -1.82 -2.43 103.07 98.39 1o6j h GLY 18 Ca 0.78 0.44 -0.04 0.00 0.00 0.00 0.00 47.33 48.51 1o6j h GLY 18 CO -0.08 -0.43 0.12 -2.00 0.00 0.00 0.00 176.54 174.15 1o6j h LEU 19 N -1.18 0.61 -1.93 3.11 5.85 -1.42 -2.72 115.31 117.63 1o6j h LEU 19 Ca -0.12 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1o6j h LEU 19 Cb 0.87 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1o6j h LEU 19 CO 0.19 0.60 -0.06 0.11 -0.34 0.00 0.00 178.44 178.94 1o6j h LYS 20 N 0.65 0.00 -0.08 1.25 1.57 -1.35 -1.95 116.57 116.66 1o6j h LYS 20 Ca 0.15 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1o6j h LYS 20 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1o6j h LYS 20 CO -0.01 0.06 0.08 -0.22 -0.57 0.00 0.00 179.45 178.79 1o6j h LYS 21 N 0.00 0.00 -0.00 3.15 1.63 -1.10 -0.93 116.57 119.32 1o6j h LYS 21 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1o6j h LYS 21 Cb 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1o6j h LYS 21 CO 0.01 0.00 -0.15 1.19 -3.45 0.00 0.00 179.45 177.05 1o6j n PHE 22 N -3.95 0.00 -3.29 1.91 3.72 -0.73 -4.52 117.46 110.59 1o6j n PHE 22 Ca -0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.14 1o6j n PHE 22 Cb 0.18 -0.21 -0.08 0.00 -0.94 0.00 0.00 39.48 38.43 1o6j n PHE 22 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o6j n PHE 23 N -1.01 0.00 0.24 1.38 3.72 -0.35 -4.81 117.46 116.63 1o6j n PHE 23 Ca 0.13 -3.58 0.10 0.00 -0.05 0.00 0.00 57.45 54.05 1o6j n PHE 23 Cb 0.29 -0.23 0.58 0.00 -0.94 0.00 0.00 39.48 39.19 1o6j n PHE 23 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1o6j h PRO 24 N 4.47 0.00 -0.12 -1.08 0.13 -1.80 -3.18 132.00 130.43 1o6j h PRO 24 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1o6j h PRO 24 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1o6j h PRO 24 CO 0.48 0.20 0.00 0.66 -0.23 0.00 0.00 178.00 179.11 1o6j n TYR 25 N -3.63 0.25 -3.79 1.56 0.53 -1.26 -5.01 117.16 105.81 1o6j n TYR 25 Ca -0.01 -0.69 -0.13 0.00 -1.02 0.00 0.00 57.90 56.06 1o6j n TYR 25 Cb 0.33 -0.11 -0.12 0.00 -1.03 0.00 0.00 39.34 38.40 1o6j n TYR 25 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 1o6j s SER 26 N -1.63 -0.23 -0.04 7.72 0.01 -1.20 -5.00 113.70 113.34 1o6j s SER 26 Ca 0.20 0.44 0.16 0.00 1.31 0.00 0.00 55.95 58.06 1o6j s SER 26 Cb 0.15 0.44 -0.25 0.00 0.21 0.00 0.00 66.02 66.57 1o6j s SER 26 CO 0.06 -0.08 0.33 0.35 0.41 0.00 0.00 173.24 174.30 1o6j n THR 27 N 3.06 0.13 -4.27 1.44 -2.24 -1.26 -4.80 114.28 106.33 1o6j n THR 27 Ca -0.14 -0.41 -0.21 0.00 -2.27 0.00 0.00 64.05 61.02 1o6j n THR 27 Cb 0.58 0.03 -0.12 0.00 -2.10 0.00 0.00 70.33 68.73 1o6j n THR 27 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1o6j s ASN 28 N -4.04 2.33 0.32 3.42 0.01 -1.26 -3.02 114.94 112.70 1o6j s ASN 28 Ca -0.06 -0.76 0.07 0.00 -0.71 0.00 0.00 52.86 51.40 1o6j s ASN 28 Cb 0.10 -0.12 -0.06 0.00 0.41 0.00 0.00 41.25 41.58 1o6j s ASN 28 CO 0.69 -0.04 -0.05 0.68 -1.51 0.00 0.00 177.10 176.87 1o6j s VAL 29 N -1.68 1.79 0.60 1.60 -7.23 0.39 -4.77 120.40 111.11 1o6j s VAL 29 Ca 0.09 -2.12 -0.14 0.00 -1.81 0.00 0.00 61.98 58.00 1o6j s VAL 29 Cb -0.07 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1o6j s VAL 29 CO 0.04 -0.21 1.04 -0.76 -0.31 0.00 0.00 175.10 174.91 1o6j s LEU 30 N -3.52 3.41 -0.43 1.32 1.02 0.11 -2.75 118.68 117.85 1o6j s LEU 30 Ca 0.32 1.67 0.05 0.00 0.02 0.00 0.00 54.13 56.19 1o6j s LEU 30 Cb 0.05 -4.51 0.17 0.00 0.02 0.00 0.00 46.19 41.92 1o6j s LEU 30 CO 0.14 -1.08 0.52 -0.75 0.02 0.00 0.00 176.35 175.21 1o6j s LYS 31 N -4.43 0.84 5.63 1.70 2.20 0.15 -2.27 119.74 123.55 1o6j s LYS 31 Ca 0.60 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1o6j s LYS 31 Cb -0.14 -0.45 0.00 0.00 -1.51 0.00 0.00 37.83 35.73 1o6j s LYS 31 CO 0.42 -1.26 0.00 0.41 -0.36 0.00 0.00 175.35 174.56 1o6j n GLY 32 N 3.74 1.17 0.07 5.54 0.00 -1.26 -2.50 105.19 111.94 1o6j n GLY 32 Ca 0.16 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.44 1o6j n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o6j h ALA 33 N -0.92 -0.01 -2.77 4.61 0.00 -1.99 -3.46 119.26 114.72 1o6j h ALA 33 Ca 0.00 -0.40 -0.51 0.00 0.00 0.00 0.00 54.91 54.00 1o6j h ALA 33 Cb 0.00 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1o6j h ALA 33 CO 0.00 -0.09 0.51 0.00 0.00 0.00 0.00 179.25 179.68 1o6j s ALA 34 N -2.88 3.42 -0.43 0.00 0.00 -1.04 -4.94 121.76 115.88 1o6j s ALA 34 Ca -0.17 0.95 0.04 0.00 0.00 0.00 0.00 51.96 52.78 1o6j s ALA 34 Cb -0.01 -3.37 0.44 0.00 0.00 0.00 0.00 23.12 20.18 1o6j s ALA 34 CO 0.65 -0.27 1.42 0.00 0.00 0.00 0.00 175.76 177.56 1o6j n ALA 35 N 1.53 5.42 0.49 0.00 0.00 -1.26 0.30 120.51 126.99 1o6j n ALA 35 Ca 0.01 -3.82 0.05 0.00 0.00 0.00 0.00 53.44 49.67 1o6j n ALA 35 Cb 0.44 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 1o6j n ALA 35 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1o6j n ASP 36 N -0.71 0.62 -4.67 0.00 -0.08 -1.24 -4.61 116.55 105.86 1o6j n ASP 36 Ca 0.48 -0.81 -0.45 0.00 -1.51 0.00 0.00 54.79 52.50 1o6j n ASP 36 Cb 0.81 0.91 -0.04 0.00 2.34 0.00 0.00 41.12 45.14 1o6j n ASP 36 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1o6j n ILE 37 N -1.07 0.67 -3.19 5.18 2.08 -1.11 -4.82 119.36 117.10 1o6j n ILE 37 Ca 0.02 -0.13 -0.39 0.00 0.56 0.00 0.00 62.75 62.82 1o6j n ILE 37 Cb 0.17 -2.09 -0.05 0.00 -0.75 0.00 0.00 39.64 36.91 1o6j n ILE 37 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1o6j s ALA 38 N 4.37 3.45 0.24 -1.39 0.00 -1.26 -0.46 121.76 126.69 1o6j s ALA 38 Ca 0.91 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.76 1o6j s ALA 38 Cb -0.57 -2.77 0.31 0.00 0.00 0.00 0.00 23.12 20.09 1o6j s ALA 38 CO 0.47 0.07 1.59 -0.07 0.00 0.00 0.00 175.76 177.82 1o6j h LEU 39 N 6.13 -0.84 -1.65 0.00 3.38 -1.90 0.25 115.31 120.67 1o6j h LEU 39 Ca -0.43 0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1o6j h LEU 39 Cb 1.20 0.53 -0.00 0.00 0.09 0.00 0.00 40.66 42.47 1o6j h LEU 39 CO 0.72 -0.27 0.49 -0.65 0.09 0.00 0.00 178.44 178.82 1o6j h PRO 40 N -0.02 0.00 0.00 1.13 0.11 -1.94 -0.11 132.00 131.18 1o6j h PRO 40 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1o6j h PRO 40 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1o6j h PRO 40 CO -0.82 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 175.84 1o6j n SER 41 N -2.97 0.00 -1.24 -2.05 3.41 0.89 -2.13 113.62 109.52 1o6j n SER 41 Ca 0.01 -0.35 0.12 0.00 -0.26 0.00 0.00 58.87 58.39 1o6j n SER 41 Cb 0.56 -0.11 0.29 0.00 -0.26 0.00 0.00 64.21 64.68 1o6j n SER 41 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1o6j n LEU 42 N -1.11 3.63 -4.63 1.04 4.77 -0.05 -4.99 117.00 115.66 1o6j n LEU 42 Ca 0.12 -1.74 -0.42 0.00 -0.03 0.00 0.00 56.01 53.94 1o6j n LEU 42 Cb 0.09 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1o6j n LEU 42 CO 0.12 0.87 0.67 0.00 -1.33 0.00 0.00 177.39 177.72 1o6j n ALA 43 N 1.52 0.42 0.00 -1.18 0.00 -0.90 -2.01 120.51 118.35 1o6j n ALA 43 Ca 0.22 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1o6j n ALA 43 Cb 0.59 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1o6j n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o6j n GLY 44 N 1.08 2.59 3.93 0.00 0.00 -1.26 -5.01 105.19 106.53 1o6j n GLY 44 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1o6j n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o6j s LYS 45 N 0.00 2.65 -0.09 1.61 1.02 -0.85 -4.93 119.74 119.16 1o6j s LYS 45 Ca 0.00 -0.25 -0.13 0.00 0.02 0.00 0.00 55.97 55.62 1o6j s LYS 45 Cb 0.00 -2.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.96 1o6j s LYS 45 CO 0.00 -0.83 0.31 0.99 -0.92 0.00 0.00 175.35 174.90 1o6j s THR 46 N -2.99 5.24 -0.08 2.17 2.01 -0.96 -2.17 115.64 118.85 1o6j s THR 46 Ca 0.56 0.60 0.04 0.00 0.31 0.00 0.00 61.69 63.20 1o6j s THR 46 Cb -0.11 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.78 1o6j s THR 46 CO 0.43 0.51 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.95 1o6j s VAL 47 N -0.43 1.97 -0.20 3.82 1.01 0.07 -1.25 120.40 125.39 1o6j s VAL 47 Ca 0.19 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 1o6j s VAL 47 Cb -0.14 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1o6j s VAL 47 CO 0.08 0.54 -0.01 -0.36 0.00 0.00 0.00 175.10 175.35 1o6j s PHE 48 N 0.21 3.02 -0.21 5.22 0.08 -0.18 -0.51 117.98 125.61 1o6j s PHE 48 Ca -0.14 -0.52 -0.20 0.00 0.12 0.00 0.00 56.93 56.19 1o6j s PHE 48 Cb -0.16 -2.07 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 1o6j s PHE 48 CO 0.07 -0.27 0.62 -0.06 -0.10 0.00 0.00 175.22 175.49 1o6j s PHE 49 N 0.99 3.35 -0.40 0.36 0.08 0.07 -0.04 117.98 122.40 1o6j s PHE 49 Ca 0.01 0.89 -0.09 0.00 0.12 0.00 0.00 56.93 57.86 1o6j s PHE 49 Cb -0.14 -2.80 0.07 0.00 -0.57 0.00 0.00 43.02 39.57 1o6j s PHE 49 CO 0.01 -0.21 0.23 -0.47 -0.10 0.00 0.00 175.22 174.68 1o6j s TYR 50 N 2.05 3.32 -0.30 0.36 5.04 0.84 -1.37 117.35 127.29 1o6j s TYR 50 Ca 0.28 -1.46 -0.23 0.00 -2.44 0.00 0.00 57.07 53.22 1o6j s TYR 50 Cb -0.16 -2.80 -0.00 0.00 0.35 0.00 0.00 41.96 39.35 1o6j s TYR 50 CO 0.10 -0.81 0.75 -0.06 -1.34 0.00 0.00 175.55 174.19 1o6j s PHE 51 N 1.43 3.22 0.29 4.97 0.40 0.23 -0.72 117.98 127.80 1o6j s PHE 51 Ca 0.02 0.80 -0.18 0.00 -0.60 0.00 0.00 56.93 56.97 1o6j s PHE 51 Cb -0.22 -3.13 0.02 0.00 0.51 0.00 0.00 43.02 40.20 1o6j s PHE 51 CO 0.03 -0.51 0.67 0.45 0.70 0.00 0.00 175.22 176.55 1o6j s SER 52 N 1.59 -0.14 -0.12 1.36 0.15 -1.17 -1.97 113.70 113.39 1o6j s SER 52 Ca 0.31 -0.79 -0.30 0.00 0.70 0.00 0.00 55.95 55.87 1o6j s SER 52 Cb -0.14 0.71 0.11 0.00 -1.71 0.00 0.00 66.02 64.99 1o6j s SER 52 CO 0.12 -1.35 0.90 0.00 1.20 0.00 0.00 173.24 174.11 1o6j s ALA 53 N -3.68 -1.88 0.37 5.45 0.00 -1.26 -0.74 121.76 120.02 1o6j s ALA 53 Ca 0.15 1.48 0.11 0.00 0.00 0.00 0.00 51.96 53.69 1o6j s ALA 53 Cb -0.05 -0.45 0.73 0.00 0.00 0.00 0.00 23.12 23.36 1o6j s ALA 53 CO 0.09 -0.35 1.85 0.66 0.00 0.00 0.00 175.76 178.01 1o6j h SER 54 N 2.64 0.11 0.00 0.00 4.64 -1.92 -2.80 113.55 116.22 1o6j h SER 54 Ca -0.21 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1o6j h SER 54 Cb 1.16 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1o6j h SER 54 CO 0.33 0.39 0.00 -2.67 -0.87 0.00 0.00 176.83 174.02 1o6j n TRP 55 N -4.17 0.00 -3.57 4.77 4.27 -1.26 -4.76 117.44 112.72 1o6j n TRP 55 Ca -0.02 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.19 1o6j n TRP 55 Cb 0.36 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.20 1o6j n TRP 55 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1o6j h PRO 57 N 8.45 0.03 -0.06 0.00 0.11 -1.88 -1.63 132.00 137.02 1o6j h PRO 57 Ca -0.31 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 1o6j h PRO 57 Cb 1.15 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1o6j h PRO 57 CO 0.64 0.02 -0.07 -1.00 -0.21 0.00 0.00 178.00 177.38 1o6j h PRO 58 N 0.03 0.08 -0.66 1.05 0.13 -1.95 -0.06 132.00 130.63 1o6j h PRO 58 Ca 0.08 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 1o6j h PRO 58 Cb 0.10 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.19 1o6j h PRO 58 CO -0.14 0.16 0.09 0.00 -0.23 0.00 0.00 178.00 177.87 1o6j h ARG 60 N 1.02 1.00 -0.06 0.00 2.43 -0.19 0.29 114.38 118.86 1o6j h ARG 60 Ca 0.20 -0.18 -0.23 0.00 -0.81 0.00 0.00 59.98 58.96 1o6j h ARG 60 Cb 0.47 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1o6j h ARG 60 CO 0.02 0.83 -0.89 0.00 -1.51 0.00 0.00 179.97 178.42 1o6j h ALA 61 N 1.29 0.32 -0.01 2.80 0.00 -0.56 -3.32 119.26 119.77 1o6j h ALA 61 Ca 0.22 -0.66 -0.24 0.00 0.00 0.00 0.00 54.91 54.24 1o6j h ALA 61 Cb 0.23 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1o6j h ALA 61 CO -0.01 0.73 -0.96 0.35 0.00 0.00 0.00 179.25 179.35 1o6j h PHE 62 N 0.38 0.80 -0.72 0.00 3.57 0.45 -3.36 116.94 118.07 1o6j h PHE 62 Ca -0.08 -0.43 0.15 0.00 3.53 0.00 0.00 57.97 61.14 1o6j h PHE 62 Cb 1.51 -0.09 -0.10 0.00 2.79 0.00 0.00 35.95 40.06 1o6j h PHE 62 CO 0.08 1.25 0.21 1.15 -2.23 0.00 0.00 178.31 178.77 1o6j h THR 63 N 0.31 0.58 -0.83 4.41 2.02 -0.54 -0.83 112.91 118.03 1o6j h THR 63 Ca -0.10 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.01 1o6j h THR 63 Cb 1.60 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 68.20 1o6j h THR 63 CO 0.18 0.06 0.55 -0.65 0.37 0.00 0.00 175.52 176.02 1o6j h PRO 64 N 0.32 0.99 -0.18 6.66 0.11 -1.75 0.21 132.00 138.37 1o6j h PRO 64 Ca 0.40 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 1o6j h PRO 64 Cb 0.64 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1o6j h PRO 64 CO -0.46 0.65 0.07 1.96 -0.21 0.00 0.00 178.00 180.01 1o6j h GLN 65 N 1.02 0.27 -0.49 1.05 4.20 -1.37 -1.80 115.11 118.00 1o6j h GLN 65 Ca 0.33 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 1o6j h GLN 65 Cb 0.06 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1o6j h GLN 65 CO -0.10 0.36 0.17 1.25 -0.67 0.00 0.00 178.83 179.83 1o6j h LEU 66 N 0.13 0.65 -1.22 1.46 5.85 -0.60 -0.77 115.31 120.81 1o6j h LEU 66 Ca 0.06 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1o6j h LEU 66 Cb 0.19 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1o6j h LEU 66 CO -0.00 0.60 -0.04 0.40 -0.34 0.00 0.00 178.44 179.06 1o6j h ILE 67 N 0.70 1.20 -0.09 4.05 2.04 -0.14 0.51 117.51 125.78 1o6j h ILE 67 Ca 0.17 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 1o6j h ILE 67 Cb 0.18 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1o6j h ILE 67 CO -0.01 0.28 -0.05 0.44 0.00 0.00 0.00 178.15 178.80 1o6j h ASP 68 N 0.47 0.20 -0.64 1.72 3.32 -0.36 -1.18 116.42 119.94 1o6j h ASP 68 Ca 0.10 -0.43 0.05 0.00 0.02 0.00 0.00 57.03 56.77 1o6j h ASP 68 Cb 0.37 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 1o6j h ASP 68 CO 0.02 0.59 0.36 0.15 -1.72 0.00 0.00 179.24 178.63 1o6j h PHE 69 N -0.19 0.66 -0.62 4.55 3.04 -0.93 -1.15 116.94 122.30 1o6j h PHE 69 Ca 0.02 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 1o6j h PHE 69 Cb 0.52 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.80 1o6j h PHE 69 CO 0.07 0.33 0.18 -0.92 -2.02 0.00 0.00 178.31 175.95 1o6j h TYR 70 N 0.67 1.01 -0.22 0.41 5.03 -0.79 -0.68 116.97 122.39 1o6j h TYR 70 Ca 0.28 -0.11 -0.08 0.00 2.58 0.00 0.00 58.73 61.40 1o6j h TYR 70 Cb 0.15 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.13 1o6j h TYR 70 CO -0.08 0.83 -0.23 0.87 -1.32 0.00 0.00 178.16 178.24 1o6j h LYS 71 N 0.89 0.41 -0.04 1.82 1.57 -0.72 -2.17 116.57 118.33 1o6j h LYS 71 Ca 0.20 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 1o6j h LYS 71 Cb 0.31 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.59 1o6j h LYS 71 CO -0.00 0.62 -0.50 0.00 -0.57 0.00 0.00 179.45 178.99 1o6j h ALA 72 N 1.40 0.11 0.00 3.86 0.00 -0.84 -3.42 119.26 120.37 1o6j h ALA 72 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1o6j h ALA 72 Cb 0.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1o6j h ALA 72 CO 0.04 0.31 -0.92 0.72 0.00 0.00 0.00 179.25 179.41 1o6j n HIS 73 N -4.28 0.00 -0.31 0.00 8.25 -0.30 -4.67 115.22 113.92 1o6j n HIS 73 Ca -0.09 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.39 1o6j n HIS 73 Cb 0.61 -0.09 0.10 0.00 1.12 0.00 0.00 29.99 31.74 1o6j n HIS 73 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o6j h ALA 74 N 0.63 0.50 0.00 -1.41 0.00 -1.54 0.44 119.26 117.88 1o6j h ALA 74 Ca 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1o6j h ALA 74 Cb 0.22 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1o6j h ALA 74 CO 0.00 -0.44 -0.00 1.49 0.00 0.00 0.00 179.25 180.30 1o6j h GLU 75 N -0.01 -0.00 0.22 0.00 4.22 -1.83 -0.87 114.58 116.31 1o6j h GLU 75 Ca 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.83 1o6j h GLU 75 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1o6j h GLU 75 CO -0.90 0.60 -0.10 0.87 -2.18 0.00 0.00 179.01 177.29 1o6j h LYS 76 N -0.60 -0.28 0.00 1.92 1.79 -1.65 -2.89 116.57 114.86 1o6j h LYS 76 Ca -0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1o6j h LYS 76 Cb 0.60 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1o6j h LYS 76 CO 0.00 0.02 0.00 1.63 -1.08 0.00 0.00 179.45 180.02 1o6j n LYS 77 N -5.09 0.61 -3.48 3.15 4.76 0.15 -4.93 118.16 113.32 1o6j n LYS 77 Ca -0.09 0.02 -0.23 0.00 -2.87 0.00 0.00 58.31 55.14 1o6j n LYS 77 Cb 0.23 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 31.97 1o6j n LYS 77 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1o6j n ASN 78 N -1.11 -5.62 -4.33 4.39 5.15 -0.53 -4.81 115.26 108.39 1o6j n ASN 78 Ca 0.16 -0.86 -0.17 0.00 -0.60 0.00 0.00 54.58 53.11 1o6j n ASN 78 Cb 0.13 -4.28 -0.10 0.00 -0.53 0.00 0.00 39.78 34.99 1o6j n ASN 78 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1o6j s PHE 79 N -3.44 1.58 0.08 1.20 -0.71 -0.44 -2.27 117.98 113.97 1o6j s PHE 79 Ca 0.43 -1.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.28 1o6j s PHE 79 Cb -0.11 -0.94 -0.04 0.00 -1.21 0.00 0.00 43.02 40.72 1o6j s PHE 79 CO 0.80 -0.18 -0.04 -2.00 -1.34 0.00 0.00 175.22 172.47 1o6j s GLU 80 N -3.95 0.73 0.07 1.99 2.56 -0.38 -4.66 118.70 115.06 1o6j s GLU 80 Ca 0.33 -1.29 0.07 0.00 0.00 0.00 0.00 54.97 54.08 1o6j s GLU 80 Cb 0.07 0.03 -0.03 0.00 2.00 0.00 0.00 34.13 36.20 1o6j s GLU 80 CO 0.11 -0.08 -0.18 0.14 -0.56 0.00 0.00 175.26 174.69 1o6j s VAL 81 N -3.80 1.48 -0.10 3.70 -7.23 -1.26 -1.01 120.40 112.18 1o6j s VAL 81 Ca 0.10 -1.31 -0.00 0.00 -1.81 0.00 0.00 61.98 58.95 1o6j s VAL 81 Cb 0.07 -1.34 0.02 0.00 0.56 0.00 0.00 36.38 35.70 1o6j s VAL 81 CO -0.07 -0.01 -0.06 -0.32 -0.31 0.00 0.00 175.10 174.33 1o6j s MET 82 N -1.55 1.27 0.09 4.82 1.75 0.95 -1.41 119.30 125.22 1o6j s MET 82 Ca 0.04 -0.16 -0.31 0.00 -1.25 0.00 0.00 55.69 54.01 1o6j s MET 82 Cb -0.09 -1.39 -0.07 0.00 2.84 0.00 0.00 34.83 36.11 1o6j s MET 82 CO 0.03 -0.26 1.40 -1.17 -0.65 0.00 0.00 175.02 174.37 1o6j s LEU 83 N 1.70 4.36 -0.43 4.11 2.96 -0.17 -0.11 118.68 131.11 1o6j s LEU 83 Ca 0.04 2.29 -0.00 0.00 -0.22 0.00 0.00 54.13 56.23 1o6j s LEU 83 Cb -0.13 -3.58 0.12 0.00 0.50 0.00 0.00 46.19 43.10 1o6j s LEU 83 CO -0.07 -0.67 0.20 -0.63 -1.32 0.00 0.00 176.35 173.86 1o6j s ILE 84 N 1.36 3.00 0.15 6.68 -1.09 0.10 -1.25 121.20 130.16 1o6j s ILE 84 Ca 0.65 -2.37 -0.29 0.00 -2.23 0.00 0.00 60.65 56.40 1o6j s ILE 84 Cb -0.36 -3.08 -0.07 0.00 -1.58 0.00 0.00 42.46 37.37 1o6j s ILE 84 CO 0.30 -0.70 0.93 -0.55 -1.23 0.00 0.00 174.94 173.69 1o6j s SER 85 N 1.23 7.52 -0.20 3.58 0.15 -1.26 -3.06 113.70 121.65 1o6j s SER 85 Ca 0.11 1.81 0.15 0.00 0.70 0.00 0.00 55.95 58.72 1o6j s SER 85 Cb -0.22 -2.58 0.72 0.00 -1.71 0.00 0.00 66.02 62.23 1o6j s SER 85 CO -0.05 0.02 1.64 0.79 1.20 0.00 0.00 173.24 176.84 1o6j n TRP 86 N 2.34 1.67 -1.65 3.44 7.02 0.08 -4.96 117.44 125.38 1o6j n TRP 86 Ca 0.00 -0.75 -0.33 0.00 -1.02 0.00 0.00 57.50 55.40 1o6j n TRP 86 Cb 0.49 -0.42 0.06 0.00 -2.42 0.00 0.00 31.31 29.02 1o6j n TRP 86 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1o6j s ASP 87 N -1.13 4.79 0.00 -0.99 1.11 -1.26 -4.90 116.67 114.29 1o6j s ASP 87 Ca 0.50 2.13 0.18 0.00 0.18 0.00 0.00 52.55 55.54 1o6j s ASP 87 Cb 0.38 -2.57 0.41 0.00 1.07 0.00 0.00 42.92 42.22 1o6j s ASP 87 CO 0.15 -1.85 1.33 -0.62 1.18 0.00 0.00 175.17 175.36 1o6j n GLU 88 N -2.50 2.45 -3.76 8.23 1.02 -1.26 -4.95 120.64 119.86 1o6j n GLU 88 Ca 0.11 -2.20 -0.13 0.00 -0.02 0.00 0.00 57.16 54.93 1o6j n GLU 88 Cb 0.51 -1.43 -0.08 0.00 -0.02 0.00 0.00 31.44 30.42 1o6j n GLU 88 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1o6j s SER 89 N -1.16 -0.16 0.39 1.62 1.04 -1.26 -5.04 113.70 109.13 1o6j s SER 89 Ca 0.34 0.00 0.07 0.00 0.48 0.00 0.00 55.95 56.85 1o6j s SER 89 Cb 0.19 0.32 0.83 0.00 0.10 0.00 0.00 66.02 67.46 1o6j s SER 89 CO 0.26 -0.49 2.01 0.00 0.98 0.00 0.00 173.24 176.00 1o6j h ALA 90 N 3.72 1.75 -0.00 5.32 0.00 -1.97 -1.28 119.26 126.79 1o6j h ALA 90 Ca -0.30 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1o6j h ALA 90 Cb 1.18 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1o6j h ALA 90 CO 0.42 0.18 -0.00 1.49 0.00 0.00 0.00 179.25 181.33 1o6j h GLU 91 N 0.62 0.01 -0.39 0.00 4.81 -1.98 0.60 114.58 118.25 1o6j h GLU 91 Ca 0.23 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 1o6j h GLU 91 Cb 0.14 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1o6j h GLU 91 CO -0.06 0.51 0.08 -0.44 -0.73 0.00 0.00 179.01 178.37 1o6j h ASP 92 N -0.49 0.01 -0.02 1.04 3.45 -1.94 -1.42 116.42 117.06 1o6j h ASP 92 Ca 0.00 0.06 0.03 0.00 0.43 0.00 0.00 57.03 57.56 1o6j h ASP 92 Cb 0.51 0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 39.32 1o6j h ASP 92 CO 0.00 0.04 -0.20 0.15 -1.57 0.00 0.00 179.24 177.67 1o6j h PHE 93 N 0.21 -0.52 -0.76 4.55 3.04 -1.16 0.66 116.94 122.95 1o6j h PHE 93 Ca 0.19 0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.30 1o6j h PHE 93 Cb 0.22 0.23 -0.10 0.00 2.56 0.00 0.00 35.95 38.87 1o6j h PHE 93 CO -0.20 -0.28 0.31 -0.22 -2.02 0.00 0.00 178.31 175.90 1o6j h LYS 94 N -0.31 0.43 -0.12 1.11 3.64 -0.31 -0.59 116.57 120.42 1o6j h LYS 94 Ca 0.06 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.24 1o6j h LYS 94 Cb 0.39 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1o6j h LYS 94 CO -0.20 0.29 -0.63 -0.44 -2.27 0.00 0.00 179.45 176.20 1o6j h ASP 95 N 0.45 0.77 -0.32 4.20 3.32 -0.84 -2.57 116.42 121.44 1o6j h ASP 95 Ca 0.42 -0.64 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1o6j h ASP 95 Cb 0.64 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1o6j h ASP 95 CO -0.41 1.29 0.14 0.22 -1.72 0.00 0.00 179.24 178.77 1o6j h TYR 96 N 0.31 0.47 0.00 4.55 -0.00 -0.38 -2.92 116.97 119.01 1o6j h TYR 96 Ca -0.04 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.73 58.60 1o6j h TYR 96 Cb 1.27 -0.14 -0.01 0.00 -0.00 0.00 0.00 36.73 37.85 1o6j h TYR 96 CO 0.10 0.43 -0.30 -0.92 -0.00 0.00 0.00 178.16 177.47 1o6j h TYR 97 N 0.38 0.00 -0.40 -3.82 3.20 -1.18 -2.75 116.97 112.39 1o6j h TYR 97 Ca 0.11 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.05 1o6j h TYR 97 Cb 0.14 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1o6j h TYR 97 CO -0.01 0.30 0.27 0.00 -1.64 0.00 0.00 178.16 177.08 1o6j h ALA 98 N 1.70 2.09 0.00 1.82 0.00 -1.25 -0.68 119.26 122.95 1o6j h ALA 98 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1o6j h ALA 98 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1o6j h ALA 98 CO 0.04 -0.18 0.00 1.63 0.00 0.00 0.00 179.25 180.74 1o6j n LYS 99 N -4.47 0.94 -4.49 0.00 5.02 -1.04 -4.86 118.16 109.27 1o6j n LYS 99 Ca 0.05 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.05 1o6j n LYS 99 Cb 0.31 -1.17 -0.13 0.00 -0.02 0.00 0.00 35.03 34.02 1o6j n LYS 99 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1o6j s MET 100 N -2.00 1.65 0.07 1.97 -1.94 -0.26 -5.05 119.30 113.74 1o6j s MET 100 Ca 0.16 -1.22 0.25 0.00 -1.71 0.00 0.00 55.69 53.17 1o6j s MET 100 Cb 0.07 -2.00 0.49 0.00 2.01 0.00 0.00 34.83 35.40 1o6j s MET 100 CO 0.12 0.48 1.42 -0.35 -0.01 0.00 0.00 175.02 176.68 1o6j n PRO 101 N 1.11 0.16 0.00 2.03 -0.04 -1.26 -4.89 135.00 132.11 1o6j n PRO 101 Ca -0.17 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1o6j n PRO 101 Cb 0.53 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1o6j n PRO 101 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1o6j n TRP 102 N -1.84 0.00 -2.55 0.54 2.14 -1.26 -4.94 117.44 109.53 1o6j n TRP 102 Ca 0.04 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.39 1o6j n TRP 102 Cb 0.39 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 30.94 1o6j n TRP 102 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1o6j s LEU 103 N 0.00 3.15 -0.09 5.67 1.02 -0.50 -4.36 118.68 123.58 1o6j s LEU 103 Ca 0.00 0.04 -0.13 0.00 0.02 0.00 0.00 54.13 54.05 1o6j s LEU 103 Cb 0.00 -2.82 0.03 0.00 0.02 0.00 0.00 46.19 43.42 1o6j s LEU 103 CO 0.00 -1.31 0.34 0.00 0.02 0.00 0.00 176.35 175.41 1o6j s ALA 104 N -2.89 -0.85 -0.06 4.21 0.00 -0.96 -1.00 121.76 120.20 1o6j s ALA 104 Ca 0.59 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 1o6j s ALA 104 Cb -0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1o6j s ALA 104 CO 0.40 -0.20 1.10 -1.17 0.00 0.00 0.00 175.76 175.89 1o6j s LEU 105 N -0.39 4.28 0.41 0.00 2.96 -0.38 0.09 118.68 125.65 1o6j s LEU 105 Ca -0.05 1.69 -0.25 0.00 -0.22 0.00 0.00 54.13 55.30 1o6j s LEU 105 Cb -0.03 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.99 1o6j s LEU 105 CO 0.02 -0.49 1.21 -0.81 -1.32 0.00 0.00 176.35 174.96 1o6j n PRO 106 N 4.94 1.81 -0.36 0.98 -0.04 -1.26 -4.73 135.00 136.33 1o6j n PRO 106 Ca 0.09 0.64 0.08 0.00 -0.04 0.00 0.00 63.50 64.28 1o6j n PRO 106 Cb 0.48 -2.30 0.25 0.00 -0.04 0.00 0.00 33.50 31.89 1o6j n PRO 106 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1o6j h PHE 107 N 2.00 1.11 -0.15 0.54 3.04 -1.98 -2.00 116.94 119.51 1o6j h PHE 107 Ca -0.47 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.56 1o6j h PHE 107 Cb 1.30 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 1o6j h PHE 107 CO 0.47 0.40 0.24 0.93 -2.02 0.00 0.00 178.31 178.33 1o6j h GLU 108 N 0.93 0.00 -3.41 1.11 3.07 -2.01 -3.22 114.58 111.06 1o6j h GLU 108 Ca 0.51 0.00 -0.75 0.00 -0.50 0.00 0.00 59.36 58.62 1o6j h GLU 108 Cb 0.57 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.34 1o6j h GLU 108 CO -0.29 0.00 2.20 -3.47 -1.40 0.00 0.00 179.01 176.05 1o6j n ASP 109 N -3.49 5.43 -0.15 1.42 -0.08 -0.75 -4.70 116.55 114.23 1o6j n ASP 109 Ca 0.01 -3.09 -0.10 0.00 -1.51 0.00 0.00 54.79 50.10 1o6j n ASP 109 Cb 0.34 -1.48 0.03 0.00 2.34 0.00 0.00 41.12 42.35 1o6j n ASP 109 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1o6j h ARG 110 N 5.60 0.97 0.00 -0.67 2.47 -1.81 -2.12 114.38 118.81 1o6j h ARG 110 Ca 0.46 -0.39 -0.10 0.00 -1.26 0.00 0.00 59.98 58.69 1o6j h ARG 110 Cb 0.58 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 1o6j h ARG 110 CO 1.63 1.06 -0.46 0.87 0.56 0.00 0.00 179.97 183.63 1o6j h LYS 111 N 0.84 0.00 -0.08 0.04 1.57 -1.93 0.63 116.57 117.65 1o6j h LYS 111 Ca 0.12 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 1o6j h LYS 111 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1o6j h LYS 111 CO 0.06 0.46 -0.57 0.78 -0.57 0.00 0.00 179.45 179.60 1o6j h GLY 112 N 1.51 0.28 0.89 3.86 0.00 -1.88 0.77 103.07 108.51 1o6j h GLY 112 Ca -0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 1o6j h GLY 112 CO 0.06 0.30 -0.11 1.98 0.00 0.00 0.00 176.54 178.77 1o6j h MET 113 N 0.20 0.58 -0.43 4.80 1.85 -0.66 -2.41 114.93 118.86 1o6j h MET 113 Ca -0.00 -0.24 -0.08 0.00 -0.61 0.00 0.00 59.70 58.77 1o6j h MET 113 Cb 1.07 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.05 1o6j h MET 113 CO 0.09 0.81 -0.05 0.93 -0.40 0.00 0.00 176.91 178.28 1o6j h GLU 114 N 0.34 0.74 -0.67 0.39 4.39 -0.41 -0.16 114.58 119.19 1o6j h GLU 114 Ca 0.07 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 1o6j h GLU 114 Cb 0.62 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 1o6j h GLU 114 CO 0.04 0.79 0.30 0.35 -1.16 0.00 0.00 179.01 179.33 1o6j h PHE 115 N 0.68 0.98 -0.30 4.33 3.57 -0.69 -1.54 116.94 123.97 1o6j h PHE 115 Ca 0.13 -0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 1o6j h PHE 115 Cb 0.50 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1o6j h PHE 115 CO 0.02 0.74 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.34 1o6j h LEU 116 N 0.93 0.91 -0.61 0.59 3.38 -1.17 0.09 115.31 119.44 1o6j h LEU 116 Ca 0.23 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1o6j h LEU 116 Cb 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1o6j h LEU 116 CO -0.03 1.24 0.39 0.74 0.09 0.00 0.00 178.44 180.88 1o6j h THR 117 N 0.61 1.14 0.05 0.22 2.02 -0.77 -1.39 112.91 114.78 1o6j h THR 117 Ca 0.03 -0.27 -0.28 0.00 0.77 0.00 0.00 66.41 66.66 1o6j h THR 117 Cb 1.04 0.27 0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1o6j h THR 117 CO 0.10 0.15 -1.11 0.74 0.37 0.00 0.00 175.52 175.77 1o6j h THR 118 N 0.80 1.28 -0.80 3.16 2.02 -1.28 -0.86 112.91 117.24 1o6j h THR 118 Ca 0.23 -2.33 0.09 0.00 0.77 0.00 0.00 66.41 65.17 1o6j h THR 118 Cb -0.07 2.52 -0.07 0.00 -1.74 0.00 0.00 68.15 68.79 1o6j h THR 118 CO -0.06 0.71 0.45 1.23 0.37 0.00 0.00 175.52 178.22 1o6j h GLY 119 N 0.33 1.23 -1.64 2.16 0.00 -0.71 -0.66 103.07 103.77 1o6j h GLY 119 Ca -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1o6j h GLY 119 CO 0.22 0.13 0.00 0.69 0.00 0.00 0.00 176.54 177.57 1o6j n PHE 120 N -4.76 0.26 -3.39 5.60 3.72 -0.55 -4.95 117.46 113.39 1o6j n PHE 120 Ca 0.13 -0.13 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1o6j n PHE 120 Cb 0.26 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.87 1o6j n PHE 120 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1o6j n ASP 121 N 1.02 -5.30 -4.56 4.37 8.00 -0.26 -4.91 116.55 114.91 1o6j n ASP 121 Ca 0.17 -0.45 -0.41 0.00 0.71 0.00 0.00 54.79 54.81 1o6j n ASP 121 Cb 0.51 -4.26 -0.03 0.00 -0.02 0.00 0.00 41.12 37.32 1o6j n ASP 121 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1o6j s VAL 122 N -3.27 3.83 -0.15 2.53 1.01 -0.39 -4.85 120.40 119.10 1o6j s VAL 122 Ca 0.44 0.62 0.18 0.00 0.00 0.00 0.00 61.98 63.22 1o6j s VAL 122 Cb -0.19 -4.76 -0.10 0.00 0.00 0.00 0.00 36.38 31.33 1o6j s VAL 122 CO 0.60 -1.55 0.89 0.29 0.00 0.00 0.00 175.10 175.33 1o6j n LYS 123 N 8.94 0.62 -3.77 2.72 4.76 -1.26 -4.86 118.16 125.31 1o6j n LYS 123 Ca 0.07 0.20 -0.10 0.00 -2.87 0.00 0.00 58.31 55.61 1o6j n LYS 123 Cb 0.49 -1.82 -0.05 0.00 -1.84 0.00 0.00 35.03 31.82 1o6j n LYS 123 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1o6j s SER 124 N -5.66 -0.15 0.18 4.39 1.04 -1.26 -5.18 113.70 107.05 1o6j s SER 124 Ca -0.02 -0.53 0.09 0.00 0.48 0.00 0.00 55.95 55.96 1o6j s SER 124 Cb 0.09 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1o6j s SER 124 CO 0.80 -0.93 -0.18 0.27 0.98 0.00 0.00 173.24 174.18 1o6j s ILE 125 N -3.87 1.87 0.32 -1.02 -4.36 -1.26 -4.32 121.20 108.55 1o6j s ILE 125 Ca 0.09 -1.98 -0.27 0.00 -0.26 0.00 0.00 60.65 58.22 1o6j s ILE 125 Cb 0.01 -1.91 -0.09 0.00 1.25 0.00 0.00 42.46 41.72 1o6j s ILE 125 CO -0.06 -0.34 1.00 -2.16 0.24 0.00 0.00 174.94 173.62 1o6j s PRO 126 N -2.93 4.53 -0.01 0.37 0.04 -1.26 -4.71 135.00 131.02 1o6j s PRO 126 Ca 0.18 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1o6j s PRO 126 Cb -0.05 -2.89 -0.00 0.00 0.04 0.00 0.00 34.50 31.59 1o6j s PRO 126 CO 0.07 0.19 -0.09 0.99 0.04 0.00 0.00 177.00 178.21 1o6j s THR 127 N -1.46 0.72 -0.18 1.26 2.01 -0.83 -4.97 115.64 112.19 1o6j s THR 127 Ca 0.49 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1o6j s THR 127 Cb -0.24 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 71.70 1o6j s THR 127 CO 0.30 0.21 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.14 1o6j s LEU 128 N -0.06 1.88 -0.17 4.42 2.96 -1.26 -0.60 118.68 125.85 1o6j s LEU 128 Ca 0.01 -0.75 -0.03 0.00 -0.22 0.00 0.00 54.13 53.14 1o6j s LEU 128 Cb -0.05 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 1o6j s LEU 128 CO -0.00 -0.16 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.12 1o6j s VAL 129 N 1.53 3.61 -0.17 1.68 1.01 -0.47 -1.94 120.40 125.65 1o6j s VAL 129 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1o6j s VAL 129 Cb -0.16 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1o6j s VAL 129 CO -0.08 0.47 0.13 -0.83 0.00 0.00 0.00 175.10 174.79 1o6j s GLY 130 N 0.72 2.07 0.06 4.51 0.00 0.55 -0.75 107.32 114.48 1o6j s GLY 130 Ca -0.02 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.04 1o6j s GLY 130 CO 0.02 -0.04 -0.07 0.14 0.00 0.00 0.00 173.10 173.15 1o6j s VAL 131 N -0.12 0.57 -0.28 1.40 1.01 0.34 -0.38 120.40 122.95 1o6j s VAL 131 Ca 0.10 -1.43 -0.13 0.00 0.00 0.00 0.00 61.98 60.52 1o6j s VAL 131 Cb -0.11 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1o6j s VAL 131 CO 0.00 -0.60 0.27 -1.61 0.00 0.00 0.00 175.10 173.17 1o6j s GLU 132 N -2.53 3.97 0.10 2.72 2.02 -0.12 -0.75 118.70 124.12 1o6j s GLU 132 Ca -0.01 -0.16 -0.23 0.00 0.02 0.00 0.00 54.97 54.59 1o6j s GLU 132 Cb -0.03 -3.66 -0.11 0.00 0.10 0.00 0.00 34.13 30.42 1o6j s GLU 132 CO -0.02 -0.23 1.72 0.00 0.02 0.00 0.00 175.26 176.75 1o6j h ALA 133 N 8.29 -0.02 0.24 5.21 0.00 -1.74 0.21 119.26 131.44 1o6j h ALA 133 Ca -0.33 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1o6j h ALA 133 Cb 1.18 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1o6j h ALA 133 CO 0.59 -0.53 -0.12 -0.44 0.00 0.00 0.00 179.25 178.75 1o6j h ASP 134 N -0.07 -0.28 1.14 0.00 3.32 -1.87 -3.14 116.42 115.52 1o6j h ASP 134 Ca 0.03 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 1o6j h ASP 134 Cb 0.10 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1o6j h ASP 134 CO -0.06 -0.06 -0.90 0.77 -1.72 0.00 0.00 179.24 177.26 1o6j h SER 135 N -0.49 0.00 -0.01 6.45 4.64 -1.97 -3.41 113.55 118.77 1o6j h SER 135 Ca -0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1o6j h SER 135 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1o6j h SER 135 CO 0.05 0.48 -0.00 0.61 -0.87 0.00 0.00 176.83 177.10 1o6j n GLY 136 N 1.29 0.47 3.82 -0.77 0.00 0.72 -4.62 105.19 106.11 1o6j n GLY 136 Ca -0.03 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1o6j n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1o6j s ASN 137 N -2.13 5.40 -0.13 1.61 -0.87 -1.23 -4.78 114.94 112.81 1o6j s ASN 137 Ca 0.00 1.58 -0.07 0.00 -1.57 0.00 0.00 52.86 52.80 1o6j s ASN 137 Cb 0.00 -2.46 -0.04 0.00 -0.02 0.00 0.00 41.25 38.73 1o6j s ASN 137 CO 0.00 -1.43 0.12 -0.63 -2.57 0.00 0.00 177.10 172.59 1o6j s ILE 138 N -3.06 5.33 -0.27 0.60 -1.09 -1.26 -0.95 121.20 120.50 1o6j s ILE 138 Ca 0.58 0.15 -0.15 0.00 -2.23 0.00 0.00 60.65 59.00 1o6j s ILE 138 Cb -0.14 -3.33 -0.12 0.00 -1.58 0.00 0.00 42.46 37.29 1o6j s ILE 138 CO 0.55 0.59 -0.31 -0.38 -1.23 0.00 0.00 174.94 174.16 1o6j n ILE 139 N 2.24 1.53 -3.56 2.92 5.41 0.49 -4.95 119.36 123.44 1o6j n ILE 139 Ca -0.19 -0.34 -0.10 0.00 1.00 0.00 0.00 62.75 63.11 1o6j n ILE 139 Cb 0.54 -1.91 -0.04 0.00 -0.71 0.00 0.00 39.64 37.52 1o6j n ILE 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1o6j s THR 140 N -2.51 0.00 -1.64 1.39 -1.32 -1.11 -1.52 115.64 108.93 1o6j s THR 140 Ca -0.38 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.29 1o6j s THR 140 Cb 0.14 -1.00 0.50 0.00 -1.51 0.00 0.00 72.50 70.63 1o6j s THR 140 CO 0.50 0.00 1.42 0.35 -2.21 0.00 0.00 174.62 174.67 1o6j n THR 141 N 0.53 0.94 -2.36 5.08 -2.24 -1.26 -0.33 114.28 114.63 1o6j n THR 141 Ca -0.10 -0.97 -0.21 0.00 -2.27 0.00 0.00 64.05 60.50 1o6j n THR 141 Cb 0.59 0.56 0.02 0.00 -2.10 0.00 0.00 70.33 69.39 1o6j n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o6j n GLN 142 N 1.23 3.07 0.15 -0.78 6.02 -1.24 -4.40 117.38 121.44 1o6j n GLN 142 Ca 0.19 -4.14 0.13 0.00 -0.01 0.00 0.00 57.00 53.17 1o6j n GLN 142 Cb 0.55 -2.08 0.34 0.00 1.02 0.00 0.00 30.24 30.06 1o6j n GLN 142 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1o6j h ALA 143 N 2.48 1.00 -0.10 -1.58 0.00 -1.63 -3.32 119.26 116.11 1o6j h ALA 143 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1o6j h ALA 143 Cb 1.22 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1o6j h ALA 143 CO 0.71 0.00 -0.15 -0.09 0.00 0.00 0.00 179.25 179.72 1o6j h ARG 144 N 0.00 -0.19 -0.25 0.00 1.12 -1.86 -0.88 114.38 112.32 1o6j h ARG 144 Ca 0.00 0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 58.79 1o6j h ARG 144 Cb 0.80 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.79 1o6j h ARG 144 CO 0.00 -0.13 -0.25 1.79 -3.11 0.00 0.00 179.97 178.27 1o6j h THR 145 N -0.20 1.26 0.00 0.20 1.35 -1.96 -2.85 112.91 110.72 1o6j h THR 145 Ca 0.08 -1.26 -0.04 0.00 -0.55 0.00 0.00 66.41 64.64 1o6j h THR 145 Cb 0.32 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1o6j h THR 145 CO -0.22 0.40 -0.19 0.24 -0.25 0.00 0.00 175.52 175.51 1o6j h MET 146 N 0.42 0.00 -0.56 4.72 2.86 -1.50 -0.13 114.93 120.74 1o6j h MET 146 Ca 0.06 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1o6j h MET 146 Cb 0.67 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1o6j h MET 146 CO 0.05 0.19 0.10 0.28 1.06 0.00 0.00 176.91 178.58 1o6j h VAL 147 N 0.00 1.24 0.11 -2.22 2.07 -0.93 0.93 116.25 117.45 1o6j h VAL 147 Ca -0.00 -0.91 -0.34 0.00 0.82 0.00 0.00 66.70 66.26 1o6j h VAL 147 Cb 0.65 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1o6j h VAL 147 CO 0.02 0.34 -1.85 -0.37 0.02 0.00 0.00 177.57 175.73 1o6j h VAL 148 N 0.84 0.77 0.00 2.57 -1.51 -1.54 -3.29 116.25 114.10 1o6j h VAL 148 Ca 0.18 -2.49 -0.03 0.00 -1.23 0.00 0.00 66.70 63.13 1o6j h VAL 148 Cb 0.36 2.56 -0.00 0.00 -2.13 0.00 0.00 31.29 32.08 1o6j h VAL 148 CO 0.01 0.81 -0.13 0.50 -1.23 0.00 0.00 177.57 177.53 1o6j h LYS 149 N 0.06 0.00 -2.02 5.19 3.64 -1.00 -3.34 116.57 119.10 1o6j h LYS 149 Ca -0.36 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.51 1o6j h LYS 149 Cb 2.04 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 33.46 1o6j h LYS 149 CO 0.11 0.13 -1.13 -3.47 -2.27 0.00 0.00 179.45 172.81 1o6j n ASP 150 N -3.42 0.95 0.31 4.20 2.03 0.32 -4.95 116.55 115.98 1o6j n ASP 150 Ca -0.01 -2.98 0.19 0.00 0.52 0.00 0.00 54.79 52.51 1o6j n ASP 150 Cb 0.30 -0.62 1.04 0.00 -0.72 0.00 0.00 41.12 41.11 1o6j n ASP 150 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1o6j h PRO 151 N 3.28 0.00 -0.00 -0.67 0.13 -1.69 0.31 132.00 133.36 1o6j h PRO 151 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1o6j h PRO 151 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1o6j h PRO 151 CO 0.52 0.01 -0.30 0.39 -0.23 0.00 0.00 178.00 178.39 1o6j n GLU 152 N -3.37 0.01 -2.90 0.86 -0.58 -1.26 -4.94 120.64 108.46 1o6j n GLU 152 Ca -0.03 -0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.56 1o6j n GLU 152 Cb 0.11 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.51 1o6j n GLU 152 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1o6j n ALA 153 N -1.49 -0.71 -0.01 0.62 0.00 0.11 -4.93 120.51 114.10 1o6j n ALA 153 Ca 0.06 0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.62 1o6j n ALA 153 Cb 0.34 -3.10 0.05 0.00 0.00 0.00 0.00 19.45 16.74 1o6j n ALA 153 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1o6j h LYS 154 N -1.19 0.59 -0.50 0.00 1.57 -1.92 -3.15 116.57 111.97 1o6j h LYS 154 Ca -0.36 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.05 1o6j h LYS 154 Cb 1.25 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1o6j h LYS 154 CO 0.38 0.98 0.00 -0.25 -0.57 0.00 0.00 179.45 179.99 1o6j n ASP 155 N -3.97 4.12 -4.74 0.86 8.00 -1.26 -5.02 116.55 114.54 1o6j n ASP 155 Ca -0.03 -2.43 -0.40 0.00 0.71 0.00 0.00 54.79 52.64 1o6j n ASP 155 Cb 0.60 -0.48 0.02 0.00 -0.02 0.00 0.00 41.12 41.24 1o6j n ASP 155 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1o6j n PHE 156 N 0.68 2.44 -0.32 1.24 -0.00 -1.19 -0.82 117.46 119.49 1o6j n PHE 156 Ca 0.21 0.45 -0.09 0.00 -0.00 0.00 0.00 57.45 58.03 1o6j n PHE 156 Cb 0.77 -2.41 0.16 0.00 -0.00 0.00 0.00 39.48 37.99 1o6j n PHE 156 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1o6j n PRO 157 N -0.34 2.31 -3.34 -7.13 -0.04 -1.26 -4.99 135.00 120.21 1o6j n PRO 157 Ca 0.07 -1.91 -0.18 0.00 -0.04 0.00 0.00 63.50 61.44 1o6j n PRO 157 Cb 0.42 -1.81 0.06 0.00 -0.04 0.00 0.00 33.50 32.12 1o6j n PRO 157 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1o6j n TRP 158 N -0.23 -2.37 -2.00 0.54 8.01 0.00 -4.80 117.44 116.58 1o6j n TRP 158 Ca 0.31 0.78 -0.41 0.00 -1.31 0.00 0.00 57.50 56.88 1o6j n TRP 158 Cb 1.11 -3.95 -0.01 0.00 -2.01 0.00 0.00 31.31 26.45 1o6j n TRP 158 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1o6j s PRO 159 N -4.66 4.27 -1.31 -0.99 0.04 -1.26 -3.51 135.00 127.56 1o6j s PRO 159 Ca 0.42 2.35 -0.02 0.00 0.04 0.00 0.00 61.00 63.79 1o6j s PRO 159 Cb -0.08 -3.04 0.01 0.00 0.04 0.00 0.00 34.50 31.44 1o6j s PRO 159 CO 0.77 -0.32 0.84 -1.71 0.04 0.00 0.00 177.00 176.63 1o6j n ASN 160 N 0.72 -2.20 0.22 6.66 5.15 -0.58 -4.84 115.26 120.40 1o6j n ASN 160 Ca 0.01 -0.75 0.15 0.00 -0.60 0.00 0.00 54.58 53.39 1o6j n ASN 160 Cb 0.41 -4.36 0.68 0.00 -0.53 0.00 0.00 39.78 35.97 1o6j n ASN 160 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1o6j h VAL 161 N -1.97 0.00 0.00 3.44 -1.51 -1.84 -2.24 116.25 112.13 1o6j h VAL 161 Ca -0.60 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 1o6j h VAL 161 Cb 1.36 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 1o6j h VAL 161 CO 0.56 0.00 0.10 -0.62 -1.23 0.00 0.00 177.57 176.38 1o6j n GLU 162 N -2.69 0.08 0.08 5.19 4.71 -1.26 -0.93 120.64 125.82 1o6j n GLU 162 Ca 0.00 0.56 -0.07 0.00 -0.01 0.00 0.00 57.16 57.64 1o6j n GLU 162 Cb 0.22 -1.87 -0.07 0.00 -1.01 0.00 0.00 31.44 28.71 1o6j n GLU 162 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1o6j h ALA 163 N 1.71 0.44 -2.90 0.62 0.00 -1.78 -3.46 119.26 113.89 1o6j h ALA 163 Ca 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 54.91 54.05 1o6j h ALA 163 Cb 0.19 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.87 1o6j h ALA 163 CO 0.00 1.11 -0.01 0.36 0.00 0.00 0.00 179.25 180.71 1o6j n LYS 164 N -3.47 -0.61 0.00 0.00 2.85 -0.11 -5.24 118.16 111.58 1o6j n LYS 164 Ca -0.01 -0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 1o6j n LYS 164 Cb 0.88 -0.18 0.00 0.00 -0.65 0.00 0.00 35.03 35.08 1o6j n LYS 164 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98