#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d6e n THR 2 N 0.00 0.00 -4.92 -0.39 -2.24 -1.08 -4.99 114.28 100.67 3d6e n THR 2 Ca 0.00 -0.10 -0.31 0.00 -2.27 0.00 0.00 64.05 61.37 3d6e n THR 2 Cb 0.00 0.80 -0.14 0.00 -2.10 0.00 0.00 70.33 68.89 3d6e n THR 2 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3d6e s GLY 3 N -3.27 1.44 0.08 3.38 0.00 -0.68 -4.87 107.32 103.41 3d6e s GLY 3 Ca 0.05 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 43.59 3d6e s GLY 3 CO 0.86 -1.04 0.10 0.61 0.00 0.00 0.00 173.10 173.63 3d6e n GLY 4 N 1.90 2.16 3.73 0.20 0.00 -1.26 -4.78 105.19 107.15 3d6e n GLY 4 Ca -0.17 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.32 3d6e n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d6e n SER 5 N -2.71 2.49 -3.47 1.61 7.64 -1.26 -4.90 113.62 113.01 3d6e n SER 5 Ca 0.02 0.97 -0.12 0.00 1.01 0.00 0.00 58.87 60.74 3d6e n SER 5 Cb 0.09 -1.55 -0.03 0.00 -1.01 0.00 0.00 64.21 61.70 3d6e n SER 5 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3d6e s PHE 6 N -1.30 -0.49 -0.11 1.43 -0.71 -0.17 -5.00 117.98 111.64 3d6e s PHE 6 Ca 0.71 0.35 0.03 0.00 -1.04 0.00 0.00 56.93 56.98 3d6e s PHE 6 Cb -0.42 0.48 0.01 0.00 -1.21 0.00 0.00 43.02 41.88 3d6e s PHE 6 CO 0.50 -0.79 -0.19 -0.47 -1.34 0.00 0.00 175.22 172.92 3d6e s TYR 7 N -3.42 2.26 -0.36 3.49 5.04 -1.26 -1.34 117.35 121.77 3d6e s TYR 7 Ca -0.00 -1.01 0.01 0.00 -2.44 0.00 0.00 57.07 53.63 3d6e s TYR 7 Cb -0.00 -1.56 0.10 0.00 0.35 0.00 0.00 41.96 40.84 3d6e s TYR 7 CO -0.10 -0.46 0.09 -2.00 -1.34 0.00 0.00 175.55 171.75 3d6e s GLU 8 N 0.68 1.77 0.00 4.97 2.56 0.11 -4.96 118.70 123.82 3d6e s GLU 8 Ca -0.12 -1.79 0.29 0.00 0.00 0.00 0.00 54.97 53.34 3d6e s GLU 8 Cb -0.16 -3.33 1.26 0.00 2.00 0.00 0.00 34.13 33.90 3d6e s GLU 8 CO 0.03 -0.95 1.93 -0.35 -0.56 0.00 0.00 175.26 175.36 3d6e n PRO 9 N 4.41 0.04 -3.58 4.30 -0.04 -1.26 -0.97 135.00 137.89 3d6e n PRO 9 Ca -0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 3d6e n PRO 9 Cb 0.42 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.45 3d6e n PRO 9 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3d6e n PHE 10 N -1.48 -2.45 0.10 0.54 3.72 -1.26 -4.58 117.46 112.04 3d6e n PHE 10 Ca 0.08 0.96 -0.20 0.00 -0.05 0.00 0.00 57.45 58.23 3d6e n PHE 10 Cb 0.33 -4.87 -0.15 0.00 -0.94 0.00 0.00 39.48 33.85 3d6e n PHE 10 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3d6e h ASN 11 N -2.24 0.56 -3.22 4.37 2.35 -1.91 -3.12 115.58 112.37 3d6e h ASN 11 Ca -0.58 -0.69 -0.47 0.00 -0.55 0.00 0.00 56.30 54.01 3d6e h ASN 11 Cb 1.36 -0.18 -0.14 0.00 0.05 0.00 0.00 38.32 39.41 3d6e h ASN 11 CO 0.55 1.56 -0.64 0.20 -1.65 0.00 0.00 177.43 177.45 3d6e s ASN 12 N -7.24 2.44 -0.55 5.81 -0.87 -1.26 -4.88 114.94 108.39 3d6e s ASN 12 Ca -0.09 -1.28 -0.20 0.00 -1.57 0.00 0.00 52.86 49.72 3d6e s ASN 12 Cb 0.06 -0.10 0.07 0.00 -0.02 0.00 0.00 41.25 41.26 3d6e s ASN 12 CO 0.89 -0.50 0.70 -0.47 -2.57 0.00 0.00 177.10 175.15 3d6e s TYR 13 N -3.21 2.98 -0.54 2.20 5.04 -1.26 -5.02 117.35 117.53 3d6e s TYR 13 Ca 0.33 -0.65 -0.28 0.00 -2.44 0.00 0.00 57.07 54.02 3d6e s TYR 13 Cb 0.07 -3.81 0.03 0.00 0.35 0.00 0.00 41.96 38.60 3d6e s TYR 13 CO 0.13 -1.20 1.14 1.21 -1.34 0.00 0.00 175.55 175.49 3d6e s ASN 14 N 3.12 6.49 0.18 4.32 3.84 -1.26 -4.88 114.94 126.75 3d6e s ASN 14 Ca 0.15 0.16 0.25 0.00 0.21 0.00 0.00 52.86 53.64 3d6e s ASN 14 Cb -0.20 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 38.86 3d6e s ASN 14 CO 0.10 -1.38 1.76 0.35 -2.79 0.00 0.00 177.10 175.15 3d6e n THR 15 N 6.67 0.60 0.33 -5.21 -2.24 -1.26 -0.90 114.28 112.26 3d6e n THR 15 Ca 0.09 -0.08 0.13 0.00 -2.27 0.00 0.00 64.05 61.92 3d6e n THR 15 Cb 0.49 -0.75 0.30 0.00 -2.10 0.00 0.00 70.33 68.27 3d6e n THR 15 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3d6e h GLY 16 N 3.88 0.00 0.00 3.38 0.00 -2.03 -3.34 103.07 104.95 3d6e h GLY 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3d6e h GLY 16 CO 0.00 0.00 -1.67 -0.10 0.00 0.00 0.00 176.54 174.77 3d6e n LEU 17 N -2.86 0.00 -4.18 3.11 7.94 -1.01 -4.78 117.00 115.22 3d6e n LEU 17 Ca 0.04 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.83 3d6e n LEU 17 Cb 0.47 0.18 -0.10 0.00 0.53 0.00 0.00 43.42 44.49 3d6e n LEU 17 CO 0.32 0.18 -0.39 0.26 -1.11 0.00 0.00 177.39 176.64 3d6e s TRP 18 N -2.44 0.95 -0.00 1.96 0.52 -0.08 -2.13 118.94 117.72 3d6e s TRP 18 Ca -0.05 -0.89 -0.01 0.00 0.02 0.00 0.00 56.10 55.18 3d6e s TRP 18 Cb 0.05 -0.54 -0.00 0.00 -1.15 0.00 0.00 33.47 31.83 3d6e s TRP 18 CO 0.45 -0.11 0.02 1.14 0.02 0.00 0.00 176.95 178.47 3d6e s GLN 19 N -3.81 0.06 0.23 4.98 -2.07 0.44 -4.27 119.66 115.23 3d6e s GLN 19 Ca 0.13 -0.05 -0.15 0.00 -1.82 0.00 0.00 55.36 53.46 3d6e s GLN 19 Cb 0.05 0.02 -0.08 0.00 -1.09 0.00 0.00 33.01 31.91 3d6e s GLN 19 CO -0.04 -0.01 0.66 0.15 -1.32 0.00 0.00 175.29 174.73 3d6e s LYS 20 N -0.17 4.04 -0.01 9.60 1.02 -1.26 -1.78 119.74 131.18 3d6e s LYS 20 Ca -0.02 0.62 -0.23 0.00 0.02 0.00 0.00 55.97 56.37 3d6e s LYS 20 Cb -0.01 -2.73 -0.14 0.00 -0.52 0.00 0.00 37.83 34.42 3d6e s LYS 20 CO -0.00 0.34 1.02 -1.49 -0.92 0.00 0.00 175.35 174.30 3d6e h TRP 21 N 2.99 -0.49 -3.70 3.18 6.55 -0.58 -3.46 115.95 120.43 3d6e h TRP 21 Ca -0.48 -0.01 -0.46 0.00 0.95 0.00 0.00 58.89 58.89 3d6e h TRP 21 Cb 1.18 0.16 -0.20 0.00 -0.86 0.00 0.00 29.16 29.45 3d6e h TRP 21 CO 0.63 -0.17 -0.78 0.00 -1.05 0.00 0.00 178.44 177.07 3d6e s ALA 22 N -4.48 1.55 0.42 1.49 0.00 -1.26 -5.06 121.76 114.42 3d6e s ALA 22 Ca -0.13 -1.24 0.18 0.00 0.00 0.00 0.00 51.96 50.77 3d6e s ALA 22 Cb 0.01 -0.13 1.07 0.00 0.00 0.00 0.00 23.12 24.08 3d6e s ALA 22 CO 0.44 0.19 1.98 0.35 0.00 0.00 0.00 175.76 178.72 3d6e h PHE 23 N 3.78 0.00 -0.85 0.00 3.57 -1.92 -2.91 116.94 118.62 3d6e h PHE 23 Ca -0.42 0.00 -0.39 0.00 3.53 0.00 0.00 57.97 60.69 3d6e h PHE 23 Cb 1.19 0.00 -0.23 0.00 2.79 0.00 0.00 35.95 39.70 3d6e h PHE 23 CO 0.64 0.20 0.50 -0.40 -2.23 0.00 0.00 178.31 177.02 3d6e n ASP 24 N -4.08 4.01 0.03 0.41 5.75 -1.26 -4.70 116.55 116.72 3d6e n ASP 24 Ca -0.02 -3.37 -0.22 0.00 -0.01 0.00 0.00 54.79 51.16 3d6e n ASP 24 Cb 0.28 -0.79 -0.14 0.00 -1.03 0.00 0.00 41.12 39.43 3d6e n ASP 24 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3d6e h HIS 25 N 1.44 0.55 0.00 2.11 3.86 -1.81 -3.45 115.15 117.86 3d6e h HIS 25 Ca 0.48 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3d6e h HIS 25 Cb 2.58 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 31.03 3d6e h HIS 25 CO 1.39 1.62 0.00 0.28 0.86 0.00 0.00 177.93 182.08 3d6e n VAL 26 N -3.77 0.00 -3.48 2.45 0.31 -0.59 0.33 118.33 113.59 3d6e n VAL 26 Ca -0.25 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 63.94 3d6e n VAL 26 Cb 0.98 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.87 3d6e n VAL 26 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3d6e s SER 27 N -0.16 -0.55 -0.01 4.52 1.04 -0.68 -4.94 113.70 112.93 3d6e s SER 27 Ca 0.00 0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.71 3d6e s SER 27 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 3d6e s SER 27 CO 0.00 -0.73 0.11 -0.04 0.98 0.00 0.00 173.24 173.56 3d6e s MET 28 N -2.50 3.17 0.41 4.02 -1.94 -1.26 0.02 119.30 121.23 3d6e s MET 28 Ca -0.03 -0.43 0.08 0.00 -1.71 0.00 0.00 55.69 53.60 3d6e s MET 28 Cb -0.01 -2.93 0.00 0.00 2.01 0.00 0.00 34.83 33.91 3d6e s MET 28 CO -0.03 0.66 0.51 0.95 -0.01 0.00 0.00 175.02 177.10 3d6e s THR 29 N -1.22 2.98 -0.49 2.05 -4.23 -0.36 -4.94 115.64 109.42 3d6e s THR 29 Ca 0.24 -1.09 0.26 0.00 -1.18 0.00 0.00 61.69 59.92 3d6e s THR 29 Cb -0.12 -3.02 0.31 0.00 1.34 0.00 0.00 72.50 71.00 3d6e s THR 29 CO 0.15 -0.01 1.75 0.77 -0.54 0.00 0.00 174.62 176.74 3d6e h SER 30 N 0.76 0.00 -0.68 3.99 4.64 -1.98 -3.25 113.55 117.03 3d6e h SER 30 Ca -0.41 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.70 3d6e h SER 30 Cb 1.27 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.24 3d6e h SER 30 CO 0.49 0.00 0.27 0.18 -0.87 0.00 0.00 176.83 176.89 3d6e n LEU 31 N -2.56 5.74 -2.19 5.97 4.77 -1.26 -4.92 117.00 122.55 3d6e n LEU 31 Ca 0.04 -2.98 -0.09 0.00 -0.03 0.00 0.00 56.01 52.94 3d6e n LEU 31 Cb 0.39 -0.73 0.04 0.00 -2.33 0.00 0.00 43.42 40.79 3d6e n LEU 31 CO 0.28 0.77 0.06 0.61 -1.33 0.00 0.00 177.39 177.79 3d6e n GLY 32 N -0.13 0.06 3.09 -0.72 0.00 -1.23 -5.06 105.19 101.21 3d6e n GLY 32 Ca 0.38 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3d6e n GLY 32 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d6e s GLU 33 N -4.81 0.92 -0.02 1.61 2.02 -1.18 -4.63 118.70 112.60 3d6e s GLU 33 Ca 0.04 -0.55 -0.20 0.00 0.02 0.00 0.00 54.97 54.28 3d6e s GLU 33 Cb -0.02 -0.89 -0.05 0.00 0.10 0.00 0.00 34.13 33.27 3d6e s GLU 33 CO 0.36 0.23 0.58 1.41 0.02 0.00 0.00 175.26 177.87 3d6e s MET 34 N -0.63 4.31 -0.14 1.61 -2.45 -0.11 -1.23 119.30 120.67 3d6e s MET 34 Ca 0.03 0.70 0.02 0.00 -1.25 0.00 0.00 55.69 55.19 3d6e s MET 34 Cb -0.06 -3.35 0.00 0.00 1.25 0.00 0.00 34.83 32.67 3d6e s MET 34 CO 0.00 0.34 -0.19 0.50 1.05 0.00 0.00 175.02 176.72 3d6e s ARG 35 N -0.08 3.13 0.09 4.11 3.52 0.10 -0.33 118.95 129.50 3d6e s ARG 35 Ca 0.31 -0.80 0.01 0.00 -0.13 0.00 0.00 55.73 55.11 3d6e s ARG 35 Cb -0.18 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.66 3d6e s ARG 35 CO 0.16 0.04 0.24 -0.51 -0.81 0.00 0.00 175.30 174.42 3d6e s LEU 36 N 0.72 4.35 -0.05 -0.88 1.43 0.58 -1.54 118.68 123.29 3d6e s LEU 36 Ca -0.08 0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 53.20 3d6e s LEU 36 Cb -0.16 -2.96 0.01 0.00 0.03 0.00 0.00 46.19 43.12 3d6e s LEU 36 CO 0.01 0.13 0.18 -0.94 0.23 0.00 0.00 176.35 175.96 3d6e s SER 37 N -2.73 -0.14 -0.23 2.29 1.04 1.02 -1.56 113.70 113.39 3d6e s SER 37 Ca 0.35 0.21 0.02 0.00 0.48 0.00 0.00 55.95 57.02 3d6e s SER 37 Cb -0.12 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.38 3d6e s SER 37 CO 0.28 -0.16 -0.13 -0.22 0.98 0.00 0.00 173.24 173.99 3d6e s LEU 38 N -0.34 2.97 -0.34 2.42 2.96 -1.19 -3.57 118.68 121.59 3d6e s LEU 38 Ca -0.04 -1.15 0.05 0.00 -0.22 0.00 0.00 54.13 52.77 3d6e s LEU 38 Cb -0.03 -1.49 0.18 0.00 0.50 0.00 0.00 46.19 45.35 3d6e s LEU 38 CO 0.01 -0.14 0.54 0.42 -1.32 0.00 0.00 176.35 175.85 3d6e s THR 39 N 1.19 -0.83 -0.32 3.68 -4.23 -1.26 -4.49 115.64 109.37 3d6e s THR 39 Ca -0.05 -0.20 -0.05 0.00 -1.18 0.00 0.00 61.69 60.21 3d6e s THR 39 Cb -0.18 -0.61 0.19 0.00 1.34 0.00 0.00 72.50 73.24 3d6e s THR 39 CO -0.07 -0.14 0.90 -0.44 -0.54 0.00 0.00 174.62 174.33 3d6e s SER 40 N 2.24 -0.77 0.23 3.99 0.01 -1.26 -5.13 113.70 113.01 3d6e s SER 40 Ca 0.13 -0.12 -0.22 0.00 1.31 0.00 0.00 55.95 57.05 3d6e s SER 40 Cb -0.09 1.26 0.05 0.00 0.21 0.00 0.00 66.02 67.45 3d6e s SER 40 CO -0.17 -0.12 0.87 -2.16 0.41 0.00 0.00 173.24 172.07 3d6e s PRO 41 N 2.48 1.56 0.31 12.44 0.04 -1.26 -5.14 135.00 145.44 3d6e s PRO 41 Ca 0.19 -0.91 0.09 0.00 0.04 0.00 0.00 61.00 60.40 3d6e s PRO 41 Cb -0.02 0.50 -0.04 0.00 0.04 0.00 0.00 34.50 34.98 3d6e s PRO 41 CO -0.19 -0.72 0.10 0.45 0.04 0.00 0.00 177.00 176.68 3d6e s SER 42 N -3.02 4.70 0.00 6.66 0.15 -1.26 -3.90 113.70 117.03 3d6e s SER 42 Ca 0.14 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.09 3d6e s SER 42 Cb -0.04 -0.81 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 3d6e s SER 42 CO 0.06 -0.19 0.00 0.00 1.20 0.00 0.00 173.24 174.31 3d6e n TYR 43 N -1.08 0.00 0.11 3.44 0.18 -1.26 -4.97 117.16 113.58 3d6e n TYR 43 Ca -0.04 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.63 3d6e n TYR 43 Cb 0.60 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.50 3d6e n TYR 43 CO 0.00 0.00 0.00 -0.97 -2.08 0.00 0.00 176.86 173.81 3d6e h ASN 44 N 0.00 -0.90 0.00 9.48 -0.00 -1.94 -3.40 115.58 118.82 3d6e h ASN 44 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 56.30 56.39 3d6e h ASN 44 Cb 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 38.32 38.64 3d6e h ASN 44 CO 0.00 -0.36 0.00 0.29 -0.00 0.00 0.00 177.43 177.36 3d6e n LYS 45 N -4.23 0.00 -3.91 6.67 4.76 -1.26 -4.81 118.16 115.37 3d6e n LYS 45 Ca -0.06 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.28 3d6e n LYS 45 Cb 0.26 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.33 3d6e n LYS 45 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3d6e s PHE 46 N -1.72 0.11 -1.20 2.13 0.40 -1.26 -5.06 117.98 111.37 3d6e s PHE 46 Ca 0.00 -0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 56.08 3d6e s PHE 46 Cb 0.00 -0.09 -0.02 0.00 0.51 0.00 0.00 43.02 43.43 3d6e s PHE 46 CO 0.00 -0.15 0.84 -0.25 0.70 0.00 0.00 175.22 176.37 3d6e n ASP 47 N 2.11 -2.97 -3.16 1.36 8.00 -1.26 -5.09 116.55 115.54 3d6e n ASP 47 Ca -0.19 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.55 3d6e n ASP 47 Cb 0.57 -4.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.13 3d6e n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d6e n GLY 48 N -1.38 0.23 3.57 0.44 0.00 -1.26 -4.75 105.19 102.03 3d6e n GLY 48 Ca -0.23 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 3d6e n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d6e s GLY 49 N -0.03 1.55 0.04 -0.02 0.00 -0.00 -4.47 107.32 104.38 3d6e s GLY 49 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.49 3d6e s GLY 49 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 173.10 174.15 3d6e n GLY 50 N -0.01 -0.91 3.30 0.20 0.00 -1.12 -1.38 105.19 105.27 3d6e n GLY 50 Ca 0.04 0.35 -0.25 0.00 0.00 0.00 0.00 46.02 46.16 3d6e n GLY 50 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d6e s ASN 51 N -2.00 2.65 0.04 1.61 3.84 0.01 0.24 114.94 121.33 3d6e s ASN 51 Ca 0.00 -0.67 -0.18 0.00 0.21 0.00 0.00 52.86 52.22 3d6e s ASN 51 Cb 0.00 -0.16 0.03 0.00 -0.55 0.00 0.00 41.25 40.57 3d6e s ASN 51 CO 0.00 0.09 0.40 0.00 -2.79 0.00 0.00 177.10 174.81 3d6e s GLN 52 N -1.81 0.89 0.56 0.43 -2.07 -0.73 -0.43 119.66 116.49 3d6e s GLN 52 Ca 0.08 -0.34 -0.16 0.00 -1.82 0.00 0.00 55.36 53.11 3d6e s GLN 52 Cb -0.10 0.40 -0.06 0.00 -1.09 0.00 0.00 33.01 32.16 3d6e s GLN 52 CO 0.04 -0.30 1.03 -1.54 -1.32 0.00 0.00 175.29 173.20 3d6e s SER 53 N -1.93 6.12 -0.01 12.60 1.04 0.97 -0.42 113.70 132.07 3d6e s SER 53 Ca -0.06 1.75 -0.20 0.00 0.48 0.00 0.00 55.95 57.91 3d6e s SER 53 Cb -0.01 -2.53 -0.27 0.00 0.10 0.00 0.00 66.02 63.31 3d6e s SER 53 CO -0.02 -0.93 1.02 0.58 0.98 0.00 0.00 173.24 174.88 3d6e h VAL 54 N 0.72 1.46 -3.08 5.02 2.07 -1.72 -3.44 116.25 117.27 3d6e h VAL 54 Ca -0.47 -2.26 -0.49 0.00 0.82 0.00 0.00 66.70 64.30 3d6e h VAL 54 Cb 1.21 2.83 0.01 0.00 -1.52 0.00 0.00 31.29 33.81 3d6e h VAL 54 CO 0.59 0.65 -0.11 -1.10 0.02 0.00 0.00 177.57 177.62 3d6e s GLN 55 N -2.92 3.54 0.27 1.57 -0.21 -1.26 -5.07 119.66 115.58 3d6e s GLN 55 Ca -0.13 -0.13 -0.05 0.00 0.02 0.00 0.00 55.36 55.07 3d6e s GLN 55 Cb 0.03 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.39 3d6e s GLN 55 CO 0.83 0.08 0.54 0.95 -2.12 0.00 0.00 175.29 175.57 3d6e s THR 56 N -2.36 5.03 0.08 -0.19 -4.23 -1.26 -4.50 115.64 108.21 3d6e s THR 56 Ca 0.43 0.09 0.03 0.00 -1.18 0.00 0.00 61.69 61.06 3d6e s THR 56 Cb -0.10 -3.71 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 3d6e s THR 56 CO 0.37 -0.27 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.77 3d6e s TYR 57 N -2.02 0.93 0.00 3.99 2.02 0.22 -1.68 117.35 120.81 3d6e s TYR 57 Ca 0.44 -0.63 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 3d6e s TYR 57 Cb -0.11 -0.53 0.00 0.00 -0.40 0.00 0.00 41.96 40.92 3d6e s TYR 57 CO 0.29 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.63 3d6e n GLY 58 N 0.82 5.31 3.78 0.71 0.00 -1.26 -1.14 105.19 113.40 3d6e n GLY 58 Ca -0.18 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 3d6e n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d6e s TYR 59 N 3.11 2.60 -5.00 1.61 2.02 -1.26 -4.91 117.35 115.53 3d6e s TYR 59 Ca 0.00 1.20 0.00 0.00 -0.37 0.00 0.00 57.07 57.90 3d6e s TYR 59 Cb 0.00 -3.98 0.00 0.00 -0.40 0.00 0.00 41.96 37.58 3d6e s TYR 59 CO 0.00 -2.89 0.00 0.41 -1.57 0.00 0.00 175.55 171.50 3d6e n GLY 60 N 0.50 -0.94 3.59 0.71 0.00 0.18 -4.11 105.19 105.13 3d6e n GLY 60 Ca 0.02 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 3d6e n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3d6e s LEU 61 N 0.00 4.17 -0.20 0.99 2.96 0.49 -1.29 118.68 125.80 3d6e s LEU 61 Ca 0.00 0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 54.08 3d6e s LEU 61 Cb 0.00 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 3d6e s LEU 61 CO 0.00 -0.34 0.08 -0.31 -1.32 0.00 0.00 176.35 174.46 3d6e s TYR 62 N 2.29 3.23 -0.04 5.38 2.02 -0.41 -0.49 117.35 129.32 3d6e s TYR 62 Ca 0.19 0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.93 3d6e s TYR 62 Cb -0.16 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.28 3d6e s TYR 62 CO 0.11 0.06 -0.10 -1.21 -1.57 0.00 0.00 175.55 172.83 3d6e s GLU 63 N 0.68 1.29 -0.08 -0.62 2.02 0.60 -1.16 118.70 121.44 3d6e s GLU 63 Ca 0.04 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.69 3d6e s GLU 63 Cb -0.13 -1.14 0.02 0.00 0.10 0.00 0.00 34.13 32.98 3d6e s GLU 63 CO 0.02 0.06 -0.06 0.54 0.02 0.00 0.00 175.26 175.84 3d6e s VAL 64 N 0.47 0.75 -0.50 2.63 0.11 0.12 -0.52 120.40 123.45 3d6e s VAL 64 Ca -0.09 -0.17 -0.14 0.00 -2.93 0.00 0.00 61.98 58.65 3d6e s VAL 64 Cb -0.13 -0.78 0.11 0.00 -1.53 0.00 0.00 36.38 34.06 3d6e s VAL 64 CO 0.02 0.30 0.43 0.21 -3.33 0.00 0.00 175.10 172.73 3d6e s ASN 65 N 1.37 6.03 0.23 3.54 3.84 -0.19 -0.07 114.94 129.69 3d6e s ASN 65 Ca -0.03 -1.73 -0.02 0.00 0.21 0.00 0.00 52.86 51.30 3d6e s ASN 65 Cb -0.14 -2.14 -0.03 0.00 -0.55 0.00 0.00 41.25 38.39 3d6e s ASN 65 CO -0.03 -0.76 0.22 0.00 -2.79 0.00 0.00 177.10 173.73 3d6e s MET 66 N 1.54 1.36 -0.09 0.43 0.23 -0.93 0.31 119.30 122.15 3d6e s MET 66 Ca 0.04 -1.64 0.00 0.00 -1.03 0.00 0.00 55.69 53.07 3d6e s MET 66 Cb -0.28 0.32 0.02 0.00 -1.53 0.00 0.00 34.83 33.36 3d6e s MET 66 CO 0.03 -0.48 -0.07 0.15 -2.03 0.00 0.00 175.02 172.61 3d6e s LYS 67 N -3.98 1.34 0.75 3.16 1.02 0.35 -3.32 119.74 119.06 3d6e s LYS 67 Ca 0.36 -0.22 -0.11 0.00 0.02 0.00 0.00 55.97 56.02 3d6e s LYS 67 Cb 0.05 -1.35 0.04 0.00 -0.52 0.00 0.00 37.83 36.06 3d6e s LYS 67 CO 0.14 -0.17 1.09 -1.25 -0.92 0.00 0.00 175.35 174.23 3d6e s PRO 68 N 1.38 2.47 0.28 -1.68 0.04 -1.26 -1.36 135.00 134.86 3d6e s PRO 68 Ca -0.02 0.67 -0.29 0.00 0.04 0.00 0.00 61.00 61.39 3d6e s PRO 68 Cb -0.14 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 3d6e s PRO 68 CO -0.04 -1.35 1.12 0.00 0.04 0.00 0.00 177.00 176.77 3d6e s ALA 69 N -3.18 3.42 -0.69 8.56 0.00 -1.21 -4.47 121.76 124.19 3d6e s ALA 69 Ca 0.59 0.93 -0.10 0.00 0.00 0.00 0.00 51.96 53.39 3d6e s ALA 69 Cb -0.13 -3.35 0.18 0.00 0.00 0.00 0.00 23.12 19.82 3d6e s ALA 69 CO 0.54 -0.21 0.58 0.21 0.00 0.00 0.00 175.76 176.88 3d6e s LYS 70 N -1.39 3.06 -0.28 0.00 2.20 -1.26 -4.35 119.74 117.72 3d6e s LYS 70 Ca 0.45 -2.35 -0.22 0.00 -0.36 0.00 0.00 55.97 53.49 3d6e s LYS 70 Cb -0.33 -4.12 0.11 0.00 -1.51 0.00 0.00 37.83 31.99 3d6e s LYS 70 CO 0.42 -1.24 0.91 1.21 -0.36 0.00 0.00 175.35 176.29 3d6e s ASN 71 N 1.82 -0.59 0.43 1.43 3.84 -1.07 -5.01 114.94 115.78 3d6e s ASN 71 Ca 0.15 1.07 -0.25 0.00 0.21 0.00 0.00 52.86 54.04 3d6e s ASN 71 Cb -0.17 1.14 -0.10 0.00 -0.55 0.00 0.00 41.25 41.57 3d6e s ASN 71 CO -0.05 -0.18 1.20 0.55 -2.79 0.00 0.00 177.10 175.83 3d6e n VAL 72 N 2.87 2.62 0.00 -5.21 3.14 -1.26 -2.96 118.33 117.53 3d6e n VAL 72 Ca -0.15 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.73 3d6e n VAL 72 Cb 0.56 -1.46 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 3d6e n VAL 72 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3d6e n GLY 73 N 0.91 2.48 3.82 7.55 0.00 -1.26 -4.83 105.19 113.86 3d6e n GLY 73 Ca 0.08 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 3d6e n GLY 73 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3d6e s ILE 74 N -0.17 4.14 -0.06 -0.61 -4.36 -1.16 -4.48 121.20 114.51 3d6e s ILE 74 Ca 0.00 0.91 0.00 0.00 -0.26 0.00 0.00 60.65 61.30 3d6e s ILE 74 Cb 0.00 -3.53 0.02 0.00 1.25 0.00 0.00 42.46 40.21 3d6e s ILE 74 CO 0.00 -0.71 -0.04 -0.69 0.24 0.00 0.00 174.94 173.75 3d6e s VAL 75 N -2.72 0.55 -0.14 8.37 1.01 -0.16 -0.37 120.40 126.94 3d6e s VAL 75 Ca 0.60 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 3d6e s VAL 75 Cb -0.13 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3d6e s VAL 75 CO 0.42 0.25 0.06 -0.44 0.00 0.00 0.00 175.10 175.38 3d6e s SER 76 N 1.30 5.64 0.05 3.32 0.01 -0.70 -1.96 113.70 121.37 3d6e s SER 76 Ca -0.05 0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.40 3d6e s SER 76 Cb -0.14 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 3d6e s SER 76 CO -0.02 0.28 -0.07 0.00 0.41 0.00 0.00 173.24 173.84 3d6e s ALA 77 N -0.26 0.62 -0.07 1.44 0.00 -0.11 -0.35 121.76 123.02 3d6e s ALA 77 Ca 0.08 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3d6e s ALA 77 Cb -0.12 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.12 3d6e s ALA 77 CO 0.02 -0.11 -0.05 0.12 0.00 0.00 0.00 175.76 175.74 3d6e s PHE 78 N -2.09 0.98 0.08 0.00 5.36 0.52 -2.85 117.98 119.97 3d6e s PHE 78 Ca -0.04 -0.36 -0.23 0.00 -0.96 0.00 0.00 56.93 55.34 3d6e s PHE 78 Cb -0.05 -0.88 0.06 0.00 -0.34 0.00 0.00 43.02 41.81 3d6e s PHE 78 CO -0.02 -0.31 0.56 1.52 -1.46 0.00 0.00 175.22 175.51 3d6e s TYR 79 N 1.36 -0.48 -0.01 10.12 1.13 -1.01 -0.36 117.35 128.11 3d6e s TYR 79 Ca -0.03 0.47 -0.02 0.00 -1.41 0.00 0.00 57.07 56.08 3d6e s TYR 79 Cb -0.14 0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 41.10 3d6e s TYR 79 CO -0.03 -0.71 0.15 0.95 -2.51 0.00 0.00 175.55 173.40 3d6e s THR 80 N -2.80 5.20 -0.12 -3.49 -4.23 -0.82 0.91 115.64 110.28 3d6e s THR 80 Ca -0.03 -0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 59.94 3d6e s THR 80 Cb -0.00 -3.41 0.09 0.00 1.34 0.00 0.00 72.50 70.51 3d6e s THR 80 CO -0.05 0.34 0.79 -0.55 -0.54 0.00 0.00 174.62 174.61 3d6e s SER 81 N -1.86 -0.59 0.00 3.99 0.15 -0.45 -1.82 113.70 113.13 3d6e s SER 81 Ca 0.26 0.75 0.28 0.00 0.70 0.00 0.00 55.95 57.94 3d6e s SER 81 Cb -0.12 0.63 1.15 0.00 -1.71 0.00 0.00 66.02 65.97 3d6e s SER 81 CO 0.17 -0.46 1.85 0.35 1.20 0.00 0.00 173.24 176.35 3d6e n THR 82 N 1.20 0.00 0.00 6.45 -2.24 -0.75 -0.78 114.28 118.16 3d6e n THR 82 Ca -0.16 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3d6e n THR 82 Cb 0.57 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3d6e n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d6e n GLY 83 N 1.44 1.50 3.76 3.38 0.00 -1.26 -2.04 105.19 111.97 3d6e n GLY 83 Ca 0.09 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 3d6e n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d6e s PRO 84 N 0.00 4.65 0.49 1.61 0.04 -1.26 -5.09 135.00 135.44 3d6e s PRO 84 Ca 0.00 1.56 0.02 0.00 0.04 0.00 0.00 61.00 62.62 3d6e s PRO 84 Cb 0.00 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.49 3d6e s PRO 84 CO 0.00 0.30 0.70 -0.08 0.04 0.00 0.00 177.00 177.96 3d6e s THR 85 N -1.31 3.17 -0.09 1.26 -1.32 -0.87 -5.05 115.64 111.43 3d6e s THR 85 Ca 0.46 -0.68 0.02 0.00 -1.21 0.00 0.00 61.69 60.28 3d6e s THR 85 Cb -0.26 -3.16 -0.02 0.00 -1.51 0.00 0.00 72.50 67.55 3d6e s THR 85 CO 0.33 -0.10 -0.17 -0.62 -2.21 0.00 0.00 174.62 171.85 3d6e s ASP 86 N -4.34 3.75 -0.94 8.08 2.15 -1.26 -2.12 116.67 121.99 3d6e s ASP 86 Ca 0.54 -0.35 -0.06 0.00 0.43 0.00 0.00 52.55 53.11 3d6e s ASP 86 Cb -0.10 -1.24 0.23 0.00 -0.30 0.00 0.00 42.92 41.51 3d6e s ASP 86 CO 0.37 0.23 0.86 -0.83 -0.17 0.00 0.00 175.17 175.63 3d6e s GLY 87 N -0.03 3.03 0.03 2.66 0.00 -1.26 -5.15 107.32 106.60 3d6e s GLY 87 Ca -0.04 -3.73 0.06 0.00 0.00 0.00 0.00 44.72 41.00 3d6e s GLY 87 CO 0.04 1.24 -0.13 -1.59 0.00 0.00 0.00 173.10 172.66 3d6e s THR 88 N -1.04 3.17 0.41 0.90 2.01 -0.90 -5.11 115.64 115.08 3d6e s THR 88 Ca 0.27 -1.02 -0.26 0.00 0.31 0.00 0.00 61.69 60.98 3d6e s THR 88 Cb -0.10 -2.36 -0.09 0.00 0.01 0.00 0.00 72.50 69.97 3d6e s THR 88 CO -0.10 0.35 1.31 -2.84 -0.69 0.00 0.00 174.62 172.65 3d6e s PRO 89 N -1.47 3.96 -0.95 4.92 0.02 -1.26 -4.62 135.00 135.61 3d6e s PRO 89 Ca 0.16 2.17 -0.24 0.00 0.02 0.00 0.00 61.00 63.11 3d6e s PRO 89 Cb -0.11 -2.76 0.05 0.00 0.02 0.00 0.00 34.50 31.70 3d6e s PRO 89 CO 0.07 -0.51 1.39 -0.46 -0.33 0.00 0.00 177.00 177.16 3d6e s TRP 90 N -1.26 2.50 -0.14 6.54 -0.00 -1.26 -4.72 118.94 120.60 3d6e s TRP 90 Ca 0.57 -0.68 -0.03 0.00 -0.00 0.00 0.00 56.10 55.96 3d6e s TRP 90 Cb -0.38 -4.66 -0.03 0.00 -0.00 0.00 0.00 33.47 28.40 3d6e s TRP 90 CO 0.49 -1.95 -0.04 -0.51 -0.00 0.00 0.00 176.95 174.94 3d6e s ASP 91 N 4.62 4.78 -0.13 5.86 1.11 -1.26 -1.81 116.67 129.85 3d6e s ASP 91 Ca 0.43 -0.11 -0.26 0.00 0.18 0.00 0.00 52.55 52.78 3d6e s ASP 91 Cb -0.02 -1.70 0.06 0.00 1.07 0.00 0.00 42.92 42.33 3d6e s ASP 91 CO -0.04 0.20 0.64 -0.70 1.18 0.00 0.00 175.17 176.45 3d6e s GLU 92 N 0.18 0.91 -0.05 8.23 2.12 -0.50 -1.80 118.70 127.77 3d6e s GLU 92 Ca -0.02 0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.81 3d6e s GLU 92 Cb -0.14 0.43 0.02 0.00 0.26 0.00 0.00 34.13 34.70 3d6e s GLU 92 CO 0.03 -0.22 -0.08 0.42 -0.54 0.00 0.00 175.26 174.87 3d6e s ILE 93 N -0.58 0.80 -0.02 -3.70 1.01 -0.76 0.29 121.20 118.24 3d6e s ILE 93 Ca -0.07 -0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.38 3d6e s ILE 93 Cb -0.02 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 3d6e s ILE 93 CO 0.06 0.28 -0.25 -1.81 0.00 0.00 0.00 174.94 173.22 3d6e s ASP 94 N 0.82 2.89 -0.24 3.58 1.01 0.28 -1.94 116.67 123.08 3d6e s ASP 94 Ca -0.12 -0.45 0.02 0.00 0.71 0.00 0.00 52.55 52.71 3d6e s ASP 94 Cb -0.15 -0.32 0.05 0.00 1.01 0.00 0.00 42.92 43.51 3d6e s ASP 94 CO 0.01 0.30 -0.11 -0.63 0.21 0.00 0.00 175.17 174.96 3d6e s ILE 95 N -0.58 1.95 0.07 0.77 1.01 0.51 -2.92 121.20 122.00 3d6e s ILE 95 Ca 0.10 -1.38 0.07 0.00 0.00 0.00 0.00 60.65 59.44 3d6e s ILE 95 Cb -0.09 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 3d6e s ILE 95 CO -0.01 0.05 -0.20 -1.61 0.00 0.00 0.00 174.94 173.18 3d6e s GLU 96 N 1.22 1.23 -0.14 2.79 2.02 -0.27 -0.36 118.70 125.20 3d6e s GLU 96 Ca -0.06 -1.01 0.01 0.00 0.02 0.00 0.00 54.97 53.94 3d6e s GLU 96 Cb -0.18 -1.38 0.02 0.00 0.10 0.00 0.00 34.13 32.68 3d6e s GLU 96 CO -0.07 0.34 -0.16 -0.06 0.02 0.00 0.00 175.26 175.33 3d6e s PHE 97 N -0.95 2.24 -0.17 1.61 0.08 0.53 -0.37 117.98 120.94 3d6e s PHE 97 Ca 0.06 -1.21 -0.28 0.00 0.12 0.00 0.00 56.93 55.62 3d6e s PHE 97 Cb -0.09 -1.61 -0.00 0.00 -0.57 0.00 0.00 43.02 40.74 3d6e s PHE 97 CO 0.03 -0.63 0.97 -0.51 -0.10 0.00 0.00 175.22 174.97 3d6e s LEU 98 N 1.27 4.17 0.55 -0.37 1.43 -1.26 -1.72 118.68 122.76 3d6e s LEU 98 Ca 0.01 1.37 0.23 0.00 -1.03 0.00 0.00 54.13 54.71 3d6e s LEU 98 Cb -0.14 -3.46 1.52 0.00 0.03 0.00 0.00 46.19 44.14 3d6e s LEU 98 CO -0.08 -0.52 2.18 1.23 0.23 0.00 0.00 176.35 179.39 3d6e h GLY 99 N 8.66 0.00 2.00 -3.19 0.00 -0.84 -2.02 103.07 107.67 3d6e h GLY 99 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3d6e h GLY 99 CO 0.90 0.00 -0.05 0.07 0.00 0.00 0.00 176.54 177.46 3d6e h LYS 100 N 0.00 0.00 -2.04 4.80 2.10 -1.79 -2.84 116.57 116.81 3d6e h LYS 100 Ca 0.02 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.39 3d6e h LYS 100 Cb 0.11 0.00 -0.32 0.00 -0.90 0.00 0.00 32.23 31.12 3d6e h LYS 100 CO -0.00 0.05 -0.60 0.34 -2.00 0.00 0.00 179.45 177.23 3d6e s ASP 101 N -6.59 1.26 -0.02 7.07 -1.08 -0.76 -4.88 116.67 111.67 3d6e s ASP 101 Ca -0.05 -0.59 0.12 0.00 -0.52 0.00 0.00 52.55 51.52 3d6e s ASP 101 Cb 0.16 0.69 0.38 0.00 -1.46 0.00 0.00 42.92 42.68 3d6e s ASP 101 CO 0.62 -0.37 1.29 0.35 0.52 0.00 0.00 175.17 177.58 3d6e n THR 102 N 5.33 0.67 1.43 1.71 -2.24 -1.25 -3.25 114.28 116.68 3d6e n THR 102 Ca -0.02 -0.58 0.14 0.00 -2.27 0.00 0.00 64.05 61.32 3d6e n THR 102 Cb 0.47 0.20 0.49 0.00 -2.10 0.00 0.00 70.33 69.40 3d6e n THR 102 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3d6e n THR 103 N 0.68 0.00 -4.40 4.28 -2.24 -1.26 0.33 114.28 111.67 3d6e n THR 103 Ca 0.14 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.45 3d6e n THR 103 Cb 0.40 0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 68.94 3d6e n THR 103 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3d6e s LYS 104 N -2.16 1.44 0.09 -0.78 1.02 -1.20 -0.75 119.74 117.39 3d6e s LYS 104 Ca 0.34 -1.43 0.08 0.00 0.02 0.00 0.00 55.97 54.98 3d6e s LYS 104 Cb 0.20 -1.82 -0.03 0.00 -0.52 0.00 0.00 37.83 35.66 3d6e s LYS 104 CO 0.39 0.41 -0.21 0.54 -0.92 0.00 0.00 175.35 175.56 3d6e s VAL 105 N -1.41 1.72 -0.14 3.17 0.11 -0.36 -4.62 120.40 118.87 3d6e s VAL 105 Ca 0.17 -1.48 -0.01 0.00 -2.93 0.00 0.00 61.98 57.73 3d6e s VAL 105 Cb -0.09 -1.55 -0.02 0.00 -1.53 0.00 0.00 36.38 33.20 3d6e s VAL 105 CO 0.08 -0.01 -0.11 -1.58 -3.33 0.00 0.00 175.10 170.15 3d6e s GLN 106 N -1.77 3.44 0.08 1.54 0.74 0.50 -0.38 119.66 123.81 3d6e s GLN 106 Ca 0.07 -0.65 0.03 0.00 0.05 0.00 0.00 55.36 54.86 3d6e s GLN 106 Cb -0.10 -2.71 -0.04 0.00 1.10 0.00 0.00 33.01 31.27 3d6e s GLN 106 CO 0.04 0.20 0.06 -0.06 -0.55 0.00 0.00 175.29 174.98 3d6e s PHE 107 N 0.40 3.15 0.12 1.67 0.08 0.62 -1.11 117.98 122.91 3d6e s PHE 107 Ca -0.09 0.06 -0.25 0.00 0.12 0.00 0.00 56.93 56.77 3d6e s PHE 107 Cb -0.15 -1.61 0.07 0.00 -0.57 0.00 0.00 43.02 40.76 3d6e s PHE 107 CO 0.05 0.51 0.83 1.21 -0.10 0.00 0.00 175.22 177.72 3d6e s ASN 108 N -2.31 -0.32 0.10 1.36 2.47 -1.15 -0.47 114.94 114.62 3d6e s ASN 108 Ca 0.28 -0.23 -0.21 0.00 0.42 0.00 0.00 52.86 53.12 3d6e s ASN 108 Cb -0.12 0.51 0.05 0.00 -1.45 0.00 0.00 41.25 40.25 3d6e s ASN 108 CO 0.20 -0.89 0.51 -0.72 -3.72 0.00 0.00 177.10 172.48 3d6e s TYR 109 N -3.42 -0.40 -0.00 0.43 1.13 -1.26 -0.55 117.35 113.27 3d6e s TYR 109 Ca 0.08 0.27 0.07 0.00 -1.41 0.00 0.00 57.07 56.07 3d6e s TYR 109 Cb -0.02 0.39 -0.02 0.00 -1.10 0.00 0.00 41.96 41.21 3d6e s TYR 109 CO -0.04 -0.72 -0.22 0.71 -2.51 0.00 0.00 175.55 172.77 3d6e s TYR 110 N -3.23 1.94 -0.06 -3.49 2.02 0.14 -4.26 117.35 110.42 3d6e s TYR 110 Ca -0.01 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 3d6e s TYR 110 Cb 0.00 -1.23 0.03 0.00 -0.40 0.00 0.00 41.96 40.37 3d6e s TYR 110 CO -0.08 -0.00 0.05 0.99 -1.57 0.00 0.00 175.55 174.94 3d6e s THR 111 N -0.57 -0.01 -1.48 -0.71 2.01 -0.66 -1.41 115.64 112.82 3d6e s THR 111 Ca 0.08 0.31 -0.12 0.00 0.31 0.00 0.00 61.69 62.27 3d6e s THR 111 Cb -0.08 -0.27 0.08 0.00 0.01 0.00 0.00 72.50 72.23 3d6e s THR 111 CO -0.00 0.15 0.79 0.59 -0.69 0.00 0.00 174.62 175.45 3d6e n ASN 112 N 5.27 -4.60 0.00 3.53 3.02 -0.98 -1.78 115.26 119.72 3d6e n ASN 112 Ca -0.04 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 3d6e n ASN 112 Cb 0.50 -3.71 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 3d6e n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d6e n GLY 113 N -1.50 0.65 3.21 7.41 0.00 -0.75 -4.73 105.19 109.47 3d6e n GLY 113 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3d6e n GLY 113 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d6e s VAL 114 N -2.41 3.25 0.00 1.61 1.01 -0.74 -5.04 120.40 118.09 3d6e s VAL 114 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.71 3d6e s VAL 114 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3d6e s VAL 114 CO 0.00 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.60 3d6e n GLY 115 N 4.69 0.75 3.56 4.51 0.00 -1.26 -1.65 105.19 115.80 3d6e n GLY 115 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 3d6e n GLY 115 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d6e n ASN 116 N 0.00 -5.92 -1.38 1.61 3.02 -1.26 -4.92 115.26 106.41 3d6e n ASN 116 Ca 0.00 -0.54 -0.09 0.00 -0.03 0.00 0.00 54.58 53.91 3d6e n ASN 116 Cb 0.00 -4.69 0.18 0.00 -0.61 0.00 0.00 39.78 34.65 3d6e n ASN 116 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3d6e n HIS 117 N -4.82 1.48 -1.94 3.10 8.25 -1.26 -5.05 115.22 114.99 3d6e n HIS 117 Ca -0.00 -1.76 -0.42 0.00 -0.26 0.00 0.00 57.72 55.27 3d6e n HIS 117 Cb 0.56 -0.57 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 3d6e n HIS 117 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3d6e s GLU 118 N -3.32 4.18 -0.23 -0.41 8.01 -1.26 -4.39 118.70 121.28 3d6e s GLU 118 Ca 0.47 2.29 0.02 0.00 0.01 0.00 0.00 54.97 57.76 3d6e s GLU 118 Cb 0.42 -3.95 0.05 0.00 -4.31 0.00 0.00 34.13 26.34 3d6e s GLU 118 CO 0.01 -0.84 -0.10 0.21 0.01 0.00 0.00 175.26 174.54 3d6e s LYS 119 N 3.88 2.05 -0.06 1.61 2.47 0.38 -4.98 119.74 125.09 3d6e s LYS 119 Ca 0.76 -1.08 -0.19 0.00 -1.56 0.00 0.00 55.97 53.90 3d6e s LYS 119 Cb -0.36 -2.66 -0.05 0.00 -1.46 0.00 0.00 37.83 33.30 3d6e s LYS 119 CO 0.32 -0.52 0.54 0.42 0.16 0.00 0.00 175.35 176.27 3d6e s ILE 120 N 1.28 5.04 -0.07 5.43 1.01 -1.26 -0.28 121.20 132.35 3d6e s ILE 120 Ca -0.05 1.11 0.02 0.00 0.00 0.00 0.00 60.65 61.73 3d6e s ILE 120 Cb -0.18 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.42 3d6e s ILE 120 CO -0.07 0.38 -0.13 -0.69 0.00 0.00 0.00 174.94 174.43 3d6e s VAL 121 N 0.15 1.23 -0.04 2.92 1.01 0.49 -4.99 120.40 121.17 3d6e s VAL 121 Ca 0.29 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 3d6e s VAL 121 Cb -0.17 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3d6e s VAL 121 CO 0.14 0.38 1.22 0.20 0.00 0.00 0.00 175.10 177.04 3d6e s ASN 122 N 0.73 7.03 0.11 3.32 -0.87 -1.26 -1.22 114.94 122.79 3d6e s ASN 122 Ca -0.13 1.87 0.07 0.00 -1.57 0.00 0.00 52.86 53.10 3d6e s ASN 122 Cb -0.16 -2.56 -0.21 0.00 -0.02 0.00 0.00 41.25 38.30 3d6e s ASN 122 CO 0.03 -0.58 1.25 -0.07 -2.57 0.00 0.00 177.10 175.16 3d6e h LEU 123 N 8.06 0.00 0.00 0.60 3.38 -1.29 -3.48 115.31 122.58 3d6e h LEU 123 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3d6e h LEU 123 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3d6e h LEU 123 CO 0.87 1.00 0.00 0.61 0.09 0.00 0.00 178.44 181.01 3d6e n GLY 124 N 1.36 0.65 3.41 0.83 0.00 -1.26 -5.02 105.19 105.16 3d6e n GLY 124 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 3d6e n GLY 124 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3d6e s PHE 125 N -2.31 -0.41 -0.31 1.61 -0.71 -1.26 -5.12 117.98 109.47 3d6e s PHE 125 Ca 0.00 0.16 -0.27 0.00 -1.04 0.00 0.00 56.93 55.77 3d6e s PHE 125 Cb 0.00 0.47 0.01 0.00 -1.21 0.00 0.00 43.02 42.29 3d6e s PHE 125 CO 0.00 -0.82 0.98 0.34 -1.34 0.00 0.00 175.22 174.38 3d6e s ASP 126 N -2.78 6.86 0.49 1.98 -1.08 -1.26 -4.21 116.67 116.67 3d6e s ASP 126 Ca 0.02 0.94 0.22 0.00 -0.52 0.00 0.00 52.55 53.22 3d6e s ASP 126 Cb -0.00 -2.50 1.25 0.00 -1.46 0.00 0.00 42.92 40.20 3d6e s ASP 126 CO -0.12 -0.78 2.02 0.00 0.52 0.00 0.00 175.17 176.82 3d6e h ALA 127 N 8.06 1.41 0.00 3.66 0.00 -0.45 -2.79 119.26 129.15 3d6e h ALA 127 Ca -0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3d6e h ALA 127 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3d6e h ALA 127 CO 0.98 0.20 0.00 0.00 0.00 0.00 0.00 179.25 180.43 3d6e h ALA 128 N 1.84 1.00 0.00 0.00 0.00 -1.78 -3.32 119.26 116.99 3d6e h ALA 128 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3d6e h ALA 128 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3d6e h ALA 128 CO 0.02 0.00 -0.44 -0.91 0.00 0.00 0.00 179.25 177.92 3d6e h ASN 129 N 0.00 0.00 -5.05 0.00 2.35 -1.85 -3.47 115.58 107.56 3d6e h ASN 129 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3d6e h ASN 129 Cb 0.84 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.11 3d6e h ASN 129 CO 0.00 0.07 0.11 -0.55 -1.65 0.00 0.00 177.43 175.41 3d6e s SER 130 N -5.92 -0.32 -0.09 5.81 0.15 -1.25 -5.14 113.70 106.95 3d6e s SER 130 Ca 0.04 -0.43 -0.30 0.00 0.70 0.00 0.00 55.95 55.97 3d6e s SER 130 Cb 0.07 0.62 -0.02 0.00 -1.71 0.00 0.00 66.02 64.98 3d6e s SER 130 CO 0.72 -1.11 1.02 -0.31 1.20 0.00 0.00 173.24 174.77 3d6e s TYR 131 N -3.86 3.50 0.10 3.44 2.02 -1.26 -4.72 117.35 116.57 3d6e s TYR 131 Ca 0.08 1.57 0.07 0.00 -0.37 0.00 0.00 57.07 58.43 3d6e s TYR 131 Cb -0.02 -3.20 -0.03 0.00 -0.40 0.00 0.00 41.96 38.30 3d6e s TYR 131 CO -0.02 -0.31 -0.19 -1.01 -1.57 0.00 0.00 175.55 172.45 3d6e s HIS 132 N 1.89 1.65 -0.25 2.71 3.76 -1.21 -4.95 115.29 118.89 3d6e s HIS 132 Ca 0.50 -0.44 -0.16 0.00 -0.15 0.00 0.00 55.06 54.81 3d6e s HIS 132 Cb -0.19 -0.90 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 3d6e s HIS 132 CO 0.20 0.18 0.43 0.99 -0.85 0.00 0.00 174.74 175.69 3d6e s THR 133 N -1.32 5.14 -0.10 1.30 2.01 -1.26 -2.19 115.64 119.22 3d6e s THR 133 Ca 0.06 0.71 -0.00 0.00 0.31 0.00 0.00 61.69 62.77 3d6e s THR 133 Cb -0.09 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 3d6e s THR 133 CO 0.04 0.15 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.73 3d6e s TYR 134 N 2.00 2.90 0.09 4.92 2.02 0.90 -0.55 117.35 129.64 3d6e s TYR 134 Ca 0.18 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 3d6e s TYR 134 Cb -0.16 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 3d6e s TYR 134 CO 0.09 0.12 -0.03 0.00 -1.57 0.00 0.00 175.55 174.16 3d6e s ALA 135 N -0.30 0.79 -0.02 3.71 0.00 -0.37 0.16 121.76 125.73 3d6e s ALA 135 Ca 0.04 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 3d6e s ALA 135 Cb -0.13 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.30 3d6e s ALA 135 CO 0.02 -0.32 0.04 -0.59 0.00 0.00 0.00 175.76 174.91 3d6e s PHE 136 N -3.79 -0.03 -0.48 0.00 -0.71 -0.31 -0.79 117.98 111.87 3d6e s PHE 136 Ca 0.12 0.11 -0.16 0.00 -1.04 0.00 0.00 56.93 55.97 3d6e s PHE 136 Cb 0.07 -0.05 0.08 0.00 -1.21 0.00 0.00 43.02 41.91 3d6e s PHE 136 CO -0.06 -0.04 0.41 0.34 -1.34 0.00 0.00 175.22 174.53 3d6e s ASP 137 N 0.30 6.15 -0.35 1.98 -1.08 0.49 -1.29 116.67 122.88 3d6e s ASP 137 Ca -0.02 -1.39 -0.17 0.00 -0.52 0.00 0.00 52.55 50.45 3d6e s ASP 137 Cb -0.04 -2.19 -0.00 0.00 -1.46 0.00 0.00 42.92 39.23 3d6e s ASP 137 CO -0.01 -0.68 0.45 0.86 0.52 0.00 0.00 175.17 176.31 3d6e s TRP 138 N 1.64 3.19 0.20 -5.34 -0.00 -0.41 -2.10 118.94 116.12 3d6e s TRP 138 Ca 0.04 0.04 0.05 0.00 -0.00 0.00 0.00 56.10 56.22 3d6e s TRP 138 Cb -0.25 -2.82 -0.05 0.00 -0.00 0.00 0.00 33.47 30.35 3d6e s TRP 138 CO 0.06 -0.52 -0.06 -0.65 -0.00 0.00 0.00 176.95 175.79 3d6e s GLN 139 N 2.22 1.25 0.45 5.86 -1.52 -0.01 -0.65 119.66 127.26 3d6e s GLN 139 Ca 0.15 -1.59 0.20 0.00 -1.95 0.00 0.00 55.36 52.17 3d6e s GLN 139 Cb -0.16 -0.72 1.17 0.00 -0.22 0.00 0.00 33.01 33.08 3d6e s GLN 139 CO 0.13 0.01 1.87 -1.35 -0.25 0.00 0.00 175.29 175.70 3d6e h PRO 140 N 2.58 0.30 -0.15 2.91 0.11 -1.97 -2.52 132.00 133.27 3d6e h PRO 140 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3d6e h PRO 140 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3d6e h PRO 140 CO 0.64 0.20 0.00 0.09 -0.21 0.00 0.00 178.00 178.72 3d6e n ASN 141 N -4.46 2.24 -3.58 -2.05 4.13 -1.26 -4.67 115.26 105.62 3d6e n ASN 141 Ca 0.18 -1.69 -0.14 0.00 1.68 0.00 0.00 54.58 54.61 3d6e n ASN 141 Cb 0.73 -0.09 -0.06 0.00 -1.54 0.00 0.00 39.78 38.81 3d6e n ASN 141 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3d6e s SER 142 N -0.87 -0.59 -0.12 6.41 1.04 -0.95 -4.45 113.70 114.17 3d6e s SER 142 Ca 0.14 0.85 0.01 0.00 0.48 0.00 0.00 55.95 57.44 3d6e s SER 142 Cb 0.08 0.76 -0.01 0.00 0.10 0.00 0.00 66.02 66.96 3d6e s SER 142 CO 0.12 -0.40 -0.17 -0.63 0.98 0.00 0.00 173.24 173.13 3d6e s ILE 143 N -0.59 2.67 -0.19 -1.02 1.01 0.13 -0.83 121.20 122.39 3d6e s ILE 143 Ca -0.04 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.82 3d6e s ILE 143 Cb -0.02 -2.09 0.03 0.00 0.01 0.00 0.00 42.46 40.39 3d6e s ILE 143 CO 0.04 0.54 -0.15 -0.54 0.00 0.00 0.00 174.94 174.83 3d6e s LYS 144 N 0.34 2.45 -0.13 2.79 1.02 -0.89 -0.40 119.74 124.93 3d6e s LYS 144 Ca -0.14 -0.86 -0.16 0.00 0.02 0.00 0.00 55.97 54.83 3d6e s LYS 144 Cb -0.17 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 3d6e s LYS 144 CO 0.07 -0.34 0.40 -1.58 -0.92 0.00 0.00 175.35 172.99 3d6e s TRP 145 N 1.33 3.51 0.13 3.18 0.51 0.03 -0.38 118.94 127.25 3d6e s TRP 145 Ca 0.01 0.79 0.09 0.00 -2.12 0.00 0.00 56.10 54.87 3d6e s TRP 145 Cb -0.15 -2.46 -0.04 0.00 -0.81 0.00 0.00 33.47 30.01 3d6e s TRP 145 CO -0.10 0.23 -0.17 0.71 -0.51 0.00 0.00 176.95 177.11 3d6e s TYR 146 N 0.45 2.54 -0.13 -1.98 2.02 0.03 -0.83 117.35 119.46 3d6e s TYR 146 Ca 0.22 -0.26 -0.01 0.00 -0.37 0.00 0.00 57.07 56.65 3d6e s TYR 146 Cb -0.14 -1.33 0.04 0.00 -0.40 0.00 0.00 41.96 40.12 3d6e s TYR 146 CO 0.08 0.41 -0.03 0.08 -1.57 0.00 0.00 175.55 174.52 3d6e s VAL 147 N -1.24 0.76 -1.47 0.71 1.01 -0.19 -1.24 120.40 118.74 3d6e s VAL 147 Ca 0.19 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 3d6e s VAL 147 Cb -0.10 -0.94 0.05 0.00 0.00 0.00 0.00 36.38 35.38 3d6e s VAL 147 CO 0.11 0.18 0.62 0.47 0.00 0.00 0.00 175.10 176.48 3d6e n ASP 148 N 5.01 -1.76 0.00 3.32 8.00 0.29 -2.03 116.55 129.38 3d6e n ASP 148 Ca -0.10 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.46 3d6e n ASP 148 Cb 0.49 -3.27 0.00 0.00 -0.02 0.00 0.00 41.12 38.32 3d6e n ASP 148 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d6e n GLY 149 N -1.76 2.13 3.72 0.44 0.00 -1.26 -5.01 105.19 103.46 3d6e n GLY 149 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3d6e n GLY 149 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d6e s GLN 150 N -0.00 3.89 0.14 1.61 -1.52 -0.86 -5.04 119.66 117.88 3d6e s GLN 150 Ca 0.00 -0.26 -0.31 0.00 -1.95 0.00 0.00 55.36 52.84 3d6e s GLN 150 Cb 0.00 -3.26 -0.09 0.00 -0.22 0.00 0.00 33.01 29.44 3d6e s GLN 150 CO 0.00 0.41 1.48 -1.17 -0.25 0.00 0.00 175.29 175.76 3d6e s LEU 151 N 0.02 4.37 -0.01 2.90 2.96 -1.26 -1.02 118.68 126.64 3d6e s LEU 151 Ca 0.08 2.48 0.00 0.00 -0.22 0.00 0.00 54.13 56.47 3d6e s LEU 151 Cb -0.12 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 3d6e s LEU 151 CO 0.00 -0.74 -0.00 0.29 -1.32 0.00 0.00 176.35 174.58 3d6e n LYS 152 N 3.94 2.71 -3.74 1.98 4.76 -0.01 -4.92 118.16 122.88 3d6e n LYS 152 Ca 0.13 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.44 3d6e n LYS 152 Cb 0.40 -1.02 -0.08 0.00 -1.84 0.00 0.00 35.03 32.50 3d6e n LYS 152 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3d6e s HIS 153 N -2.02 -0.19 -0.02 2.13 2.46 -1.13 -5.01 115.29 111.52 3d6e s HIS 153 Ca -0.01 0.22 0.00 0.00 0.47 0.00 0.00 55.06 55.75 3d6e s HIS 153 Cb 0.00 0.12 0.02 0.00 -0.13 0.00 0.00 32.58 32.60 3d6e s HIS 153 CO 0.03 -0.45 0.00 0.99 -2.47 0.00 0.00 174.74 172.85 3d6e s THR 154 N -1.75 0.12 -0.03 0.89 2.01 -1.26 -0.79 115.64 114.84 3d6e s THR 154 Ca -0.10 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.04 3d6e s THR 154 Cb -0.03 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.23 3d6e s THR 154 CO 0.02 0.12 -0.18 0.00 -0.69 0.00 0.00 174.62 173.89 3d6e s ALA 155 N 0.93 2.51 0.00 7.40 0.00 0.47 -4.98 121.76 128.09 3d6e s ALA 155 Ca -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3d6e s ALA 155 Cb -0.12 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.17 3d6e s ALA 155 CO -0.02 0.55 0.24 0.25 0.00 0.00 0.00 175.76 176.78 3d6e n THR 156 N 2.27 0.00 -4.70 0.00 -2.24 -1.26 -0.69 114.28 107.66 3d6e n THR 156 Ca -0.17 -0.24 -0.26 0.00 -2.27 0.00 0.00 64.05 61.12 3d6e n THR 156 Cb 0.52 1.52 -0.14 0.00 -2.10 0.00 0.00 70.33 70.13 3d6e n THR 156 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3d6e s THR 157 N -0.00 1.71 -1.43 4.28 -4.23 -1.26 -4.73 115.64 109.98 3d6e s THR 157 Ca 0.00 -1.19 -0.00 0.00 -1.18 0.00 0.00 61.69 59.32 3d6e s THR 157 Cb 0.00 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.37 3d6e s THR 157 CO 0.00 0.24 0.39 0.00 -0.54 0.00 0.00 174.62 174.71 3d6e n GLN 158 N 1.91 -3.08 -2.61 3.99 3.00 -1.26 -4.93 117.38 114.40 3d6e n GLN 158 Ca -0.17 0.38 -0.41 0.00 -0.01 0.00 0.00 57.00 56.79 3d6e n GLN 158 Cb 0.53 -4.46 -0.05 0.00 0.00 0.00 0.00 30.24 26.27 3d6e n GLN 158 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3d6e s ILE 159 N -3.99 4.01 0.68 5.09 -1.09 -1.26 -4.62 121.20 120.03 3d6e s ILE 159 Ca 0.02 1.82 -0.16 0.00 -2.23 0.00 0.00 60.65 60.10 3d6e s ILE 159 Cb -0.01 -4.16 0.01 0.00 -1.58 0.00 0.00 42.46 36.72 3d6e s ILE 159 CO 0.90 0.35 1.19 -2.16 -1.23 0.00 0.00 174.94 173.99 3d6e s PRO 160 N -0.61 2.49 0.00 2.79 0.04 -1.26 -4.98 135.00 133.48 3d6e s PRO 160 Ca 0.46 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3d6e s PRO 160 Cb -0.27 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3d6e s PRO 160 CO 0.34 -1.56 0.00 1.04 0.04 0.00 0.00 177.00 176.86 3d6e n GLN 161 N -2.34 2.16 -2.82 4.56 1.13 -1.26 -4.84 117.38 113.97 3d6e n GLN 161 Ca 0.13 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.77 3d6e n GLN 161 Cb 0.50 -0.82 -0.03 0.00 0.11 0.00 0.00 30.24 30.00 3d6e n GLN 161 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3d6e s THR 162 N -1.32 4.85 0.38 5.09 2.01 -1.26 -4.96 115.64 120.43 3d6e s THR 162 Ca 0.00 1.79 -0.26 0.00 0.31 0.00 0.00 61.69 63.52 3d6e s THR 162 Cb 0.00 -4.20 -0.11 0.00 0.01 0.00 0.00 72.50 68.20 3d6e s THR 162 CO 0.00 0.03 1.21 -2.65 -0.69 0.00 0.00 174.62 172.52 3d6e n PRO 163 N 5.07 1.85 -4.32 4.92 -0.02 -1.26 -4.85 135.00 136.39 3d6e n PRO 163 Ca 0.06 0.65 -0.18 0.00 -2.02 0.00 0.00 63.50 62.01 3d6e n PRO 163 Cb 0.49 -2.25 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 3d6e n PRO 163 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3d6e s GLY 164 N -0.49 2.01 0.35 -1.23 0.00 -0.29 -4.68 107.32 102.98 3d6e s GLY 164 Ca 0.59 -1.78 -0.13 0.00 0.00 0.00 0.00 44.72 43.40 3d6e s GLY 164 CO 0.60 -1.56 0.74 0.54 0.00 0.00 0.00 173.10 173.41 3d6e s LYS 165 N -3.84 3.92 -0.10 2.90 1.02 0.04 0.71 119.74 124.39 3d6e s LYS 165 Ca 0.36 0.59 -0.25 0.00 0.02 0.00 0.00 55.97 56.69 3d6e s LYS 165 Cb 0.05 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.91 3d6e s LYS 165 CO 0.17 0.10 0.79 0.42 -0.92 0.00 0.00 175.35 175.91 3d6e s ILE 166 N -2.10 4.95 0.21 2.17 1.01 -1.26 -1.34 121.20 124.84 3d6e s ILE 166 Ca 0.53 1.59 0.10 0.00 0.00 0.00 0.00 60.65 62.87 3d6e s ILE 166 Cb -0.10 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3d6e s ILE 166 CO 0.22 0.14 -0.14 -0.31 0.00 0.00 0.00 174.94 174.85 3d6e s TYR 167 N 1.43 2.50 -0.04 3.97 2.02 0.26 -0.02 117.35 127.46 3d6e s TYR 167 Ca 0.39 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.83 3d6e s TYR 167 Cb -0.18 -1.19 0.02 0.00 -0.40 0.00 0.00 41.96 40.21 3d6e s TYR 167 CO 0.17 0.55 -0.05 -1.64 -1.57 0.00 0.00 175.55 173.01 3d6e s MET 168 N -2.97 0.82 -0.00 -0.62 -1.94 0.42 -2.41 119.30 112.60 3d6e s MET 168 Ca 0.25 -0.12 -0.07 0.00 -1.71 0.00 0.00 55.69 54.04 3d6e s MET 168 Cb -0.08 -0.81 0.00 0.00 2.01 0.00 0.00 34.83 35.95 3d6e s MET 168 CO 0.14 -0.06 0.14 -1.54 -0.01 0.00 0.00 175.02 173.70 3d6e s SER 169 N 0.82 0.01 -0.20 3.03 1.04 -1.13 -0.81 113.70 116.45 3d6e s SER 169 Ca -0.11 -0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 3d6e s SER 169 Cb -0.14 0.22 0.07 0.00 0.10 0.00 0.00 66.02 66.26 3d6e s SER 169 CO 0.00 -0.35 0.06 -0.22 0.98 0.00 0.00 173.24 173.71 3d6e s LEU 170 N -1.29 0.98 0.09 2.42 2.96 -0.48 -0.94 118.68 122.43 3d6e s LEU 170 Ca -0.14 -0.86 0.02 0.00 -0.22 0.00 0.00 54.13 52.94 3d6e s LEU 170 Cb -0.07 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.08 3d6e s LEU 170 CO 0.02 -0.34 -0.07 -1.66 -1.32 0.00 0.00 176.35 172.98 3d6e s TRP 171 N 1.93 0.90 0.00 5.38 -2.14 -0.83 -0.82 118.94 123.37 3d6e s TRP 171 Ca 0.01 -0.82 0.00 0.00 2.66 0.00 0.00 56.10 57.95 3d6e s TRP 171 Cb -0.17 -0.51 0.00 0.00 -3.10 0.00 0.00 33.47 29.69 3d6e s TRP 171 CO -0.12 -0.11 0.00 0.00 -2.66 0.00 0.00 176.95 174.06 3d6e n ALA 172 N 0.20 0.00 0.00 2.67 0.00 -1.25 -0.99 120.51 121.14 3d6e n ALA 172 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3d6e n ALA 172 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3d6e n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d6e n GLY 173 N 2.65 0.00 0.00 0.00 0.00 -1.26 -4.10 105.19 102.47 3d6e n GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d6e n GLY 173 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d6e n LEU 189 N 0.49 -0.04 -4.00 0.99 4.77 -1.26 -4.93 117.00 113.02 3d6e n LEU 189 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3d6e n LEU 189 Cb 0.00 0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 3d6e n LEU 189 CO 0.00 0.00 -0.41 -0.31 -1.33 0.00 0.00 177.39 175.34 3d6e s TYR 190 N -1.13 0.57 -0.14 -1.77 2.02 -1.26 -3.18 117.35 112.46 3d6e s TYR 190 Ca 0.00 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 3d6e s TYR 190 Cb 0.00 -0.36 -0.01 0.00 -0.40 0.00 0.00 41.96 41.19 3d6e s TYR 190 CO 0.00 -0.03 -0.14 0.00 -1.57 0.00 0.00 175.55 173.81 3d6e s ALA 191 N -0.49 2.57 -0.06 3.71 0.00 -0.60 -3.31 121.76 123.57 3d6e s ALA 191 Ca -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3d6e s ALA 191 Cb -0.04 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 3d6e s ALA 191 CO 0.00 0.14 -0.05 -1.01 0.00 0.00 0.00 175.76 174.84 3d6e s HIS 192 N 0.53 2.98 -0.21 0.00 3.76 -0.47 -0.31 115.29 121.58 3d6e s HIS 192 Ca -0.09 0.05 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 3d6e s HIS 192 Cb -0.16 -1.71 0.05 0.00 1.11 0.00 0.00 32.58 31.87 3d6e s HIS 192 CO 0.04 0.37 -0.07 0.71 -0.85 0.00 0.00 174.74 174.94 3d6e s TYR 193 N -0.86 2.25 -0.09 1.40 1.51 0.55 -0.49 117.35 121.63 3d6e s TYR 193 Ca 0.13 -1.55 -0.24 0.00 -1.01 0.00 0.00 57.07 54.41 3d6e s TYR 193 Cb -0.11 -1.54 -0.20 0.00 -0.11 0.00 0.00 41.96 40.00 3d6e s TYR 193 CO 0.03 -0.73 0.84 -0.97 -1.11 0.00 0.00 175.55 173.60 3d6e h ASN 194 N 8.00 -0.05 -5.04 2.29 -1.24 -0.42 -0.25 115.58 118.86 3d6e h ASN 194 Ca -0.23 -0.62 -0.04 0.00 0.71 0.00 0.00 56.30 56.12 3d6e h ASN 194 Cb 1.09 0.01 -0.13 0.00 0.73 0.00 0.00 38.32 40.03 3d6e h ASN 194 CO 0.43 0.67 0.06 -1.66 -1.29 0.00 0.00 177.43 175.64 3d6e s TRP 195 N -2.93 -0.36 0.04 0.67 1.48 -1.15 -4.20 118.94 112.49 3d6e s TRP 195 Ca -0.15 0.11 0.05 0.00 -1.06 0.00 0.00 56.10 55.06 3d6e s TRP 195 Cb -0.01 0.40 -0.02 0.00 -1.16 0.00 0.00 33.47 32.68 3d6e s TRP 195 CO 0.56 -0.77 -0.15 0.08 -4.06 0.00 0.00 176.95 172.62 3d6e s VAL 196 N -3.72 1.21 -0.05 -0.66 1.01 -0.14 -1.03 120.40 117.02 3d6e s VAL 196 Ca 0.02 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 3d6e s VAL 196 Cb 0.00 -1.09 0.04 0.00 0.00 0.00 0.00 36.38 35.33 3d6e s VAL 196 CO -0.12 0.02 0.11 -0.60 0.00 0.00 0.00 175.10 174.51 3d6e s ARG 197 N -1.19 0.05 -0.13 2.72 3.52 0.32 0.09 118.95 124.33 3d6e s ARG 197 Ca 0.02 0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.95 3d6e s ARG 197 Cb -0.08 -0.20 -0.00 0.00 -1.56 0.00 0.00 34.95 33.10 3d6e s ARG 197 CO 0.01 -0.17 -0.17 -0.47 -0.81 0.00 0.00 175.30 173.70 3d6e s TYR 198 N 1.13 2.73 -0.25 5.12 5.04 -0.45 -0.29 117.35 130.39 3d6e s TYR 198 Ca -0.09 -0.96 0.00 0.00 -2.44 0.00 0.00 57.07 53.58 3d6e s TYR 198 Cb -0.12 -1.83 0.04 0.00 0.35 0.00 0.00 41.96 40.40 3d6e s TYR 198 CO -0.05 -0.40 -0.09 0.99 -1.34 0.00 0.00 175.55 174.66 3d6e s THR 199 N 0.58 2.53 -0.72 4.34 2.01 0.35 -1.00 115.64 123.73 3d6e s THR 199 Ca -0.10 -1.25 -0.26 0.00 0.31 0.00 0.00 61.69 60.39 3d6e s THR 199 Cb -0.16 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 3d6e s THR 199 CO 0.03 0.14 1.82 -0.75 -0.69 0.00 0.00 174.62 175.18 3d6e s LYS 200 N 1.24 2.69 0.00 4.92 2.20 -1.26 -0.38 119.74 129.15 3d6e s LYS 200 Ca -0.03 0.20 0.20 0.00 -0.36 0.00 0.00 55.97 55.98 3d6e s LYS 200 Cb -0.17 -4.61 1.16 0.00 -1.51 0.00 0.00 37.83 32.70 3d6e s LYS 200 CO -0.06 -2.85 1.55 0.54 -0.36 0.00 0.00 175.35 174.17