#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni n ARG 3 N 0.00 0.00 -3.75 -0.72 0.63 -1.26 -4.31 116.66 107.25 3kni n ARG 3 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 3kni n ARG 3 Cb 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.78 3kni n ARG 3 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3kni s LEU 4 N 0.00 0.62 -0.34 6.15 2.96 -0.62 -4.95 118.68 122.49 3kni s LEU 4 Ca 0.00 0.50 -0.29 0.00 -0.22 0.00 0.00 54.13 54.12 3kni s LEU 4 Cb 0.00 0.74 0.02 0.00 0.50 0.00 0.00 46.19 47.45 3kni s LEU 4 CO 0.00 -0.14 1.12 -0.54 -1.32 0.00 0.00 176.35 175.47 3kni s LYS 5 N 0.94 3.98 0.67 1.98 1.02 -1.26 -2.76 119.74 124.31 3kni s LYS 5 Ca -0.07 1.01 -0.08 0.00 0.02 0.00 0.00 55.97 56.86 3kni s LYS 5 Cb -0.08 -3.79 0.03 0.00 -0.52 0.00 0.00 37.83 33.47 3kni s LYS 5 CO -0.06 -1.02 1.00 0.00 -0.92 0.00 0.00 175.35 174.35 3kni s ALA 6 N 3.91 3.12 -0.01 5.17 0.00 -0.72 -4.63 121.76 128.60 3kni s ALA 6 Ca 0.48 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3kni s ALA 6 Cb -0.12 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.30 3kni s ALA 6 CO 0.19 -1.10 0.00 0.71 0.00 0.00 0.00 175.76 175.57 3kni s TYR 7 N -3.19 0.13 -0.11 0.00 1.51 -1.24 -3.80 117.35 110.64 3kni s TYR 7 Ca 0.57 0.03 -0.29 0.00 -1.01 0.00 0.00 57.07 56.37 3kni s TYR 7 Cb -0.11 -0.20 -0.05 0.00 -0.11 0.00 0.00 41.96 41.49 3kni s TYR 7 CO 0.47 -0.06 1.69 0.71 -1.11 0.00 0.00 175.55 177.25 3kni s TYR 8 N 0.57 1.94 -0.47 2.71 1.51 -1.26 -2.96 117.35 119.39 3kni s TYR 8 Ca -0.05 0.30 -0.23 0.00 -1.01 0.00 0.00 57.07 56.07 3kni s TYR 8 Cb -0.08 -3.95 0.03 0.00 -0.11 0.00 0.00 41.96 37.85 3kni s TYR 8 CO -0.01 -3.65 0.81 0.50 -1.11 0.00 0.00 175.55 172.09 3kni s ARG 9 N 4.41 3.40 0.00 -0.62 3.52 -1.21 -4.87 118.95 123.57 3kni s ARG 9 Ca 0.75 -0.13 0.20 0.00 -0.13 0.00 0.00 55.73 56.42 3kni s ARG 9 Cb -0.31 -3.96 1.17 0.00 -1.56 0.00 0.00 34.95 30.29 3kni s ARG 9 CO 0.30 -1.18 1.70 0.39 -0.81 0.00 0.00 175.30 175.70 3kni n GLU 10 N 6.84 0.91 -1.10 5.12 4.71 -1.26 -4.52 120.64 131.35 3kni n GLU 10 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 3kni n GLU 10 Cb 0.48 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.57 3kni n GLU 10 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kni n GLY 11 N 0.69 0.81 2.99 0.62 0.00 -1.26 -5.12 105.19 103.91 3kni n GLY 11 Ca 0.15 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 3kni n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kni s GLU 12 N -2.61 0.13 -0.73 1.61 8.01 -1.26 -4.98 118.70 118.87 3kni s GLU 12 Ca 0.00 0.19 -0.03 0.00 0.01 0.00 0.00 54.97 55.14 3kni s GLU 12 Cb 0.00 0.03 0.00 0.00 -4.31 0.00 0.00 34.13 29.86 3kni s GLU 12 CO 0.00 -0.04 0.66 1.63 0.01 0.00 0.00 175.26 177.52 3kni n LYS 13 N 3.17 -1.52 0.27 1.61 5.02 -1.26 -4.77 118.16 120.69 3kni n LYS 13 Ca -0.14 1.31 0.13 0.00 -2.02 0.00 0.00 58.31 57.58 3kni n LYS 13 Cb 0.58 -4.43 0.81 0.00 -0.02 0.00 0.00 35.03 31.97 3kni n LYS 13 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3kni h PRO 14 N 0.43 0.00 0.00 1.97 0.11 -2.01 -0.90 132.00 131.60 3kni h PRO 14 Ca -0.24 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.60 3kni h PRO 14 Cb 1.15 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 3kni h PRO 14 CO 0.31 0.00 -2.23 0.45 -0.21 0.00 0.00 178.00 176.32 3kni n SER 15 N -4.11 0.07 -0.03 -2.05 2.88 -1.26 -4.27 113.62 104.85 3kni n SER 15 Ca -0.03 0.03 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 3kni n SER 15 Cb 0.10 1.17 -0.08 0.00 -0.75 0.00 0.00 64.21 64.66 3kni n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kni h ALA 16 N 1.26 0.26 -0.90 -1.46 0.00 -1.80 -2.29 119.26 114.32 3kni h ALA 16 Ca -0.39 -0.54 0.18 0.00 0.00 0.00 0.00 54.91 54.16 3kni h ALA 16 Cb 1.91 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.58 3kni h ALA 16 CO 0.02 0.51 0.46 -0.07 0.00 0.00 0.00 179.25 180.18 3kni h LEU 17 N 0.32 0.52 -0.82 0.00 4.07 -1.39 1.62 115.31 119.64 3kni h LEU 17 Ca -0.04 0.11 0.04 0.00 0.08 0.00 0.00 57.88 58.07 3kni h LEU 17 Cb 1.24 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.97 3kni h LEU 17 CO 0.13 0.16 0.52 0.03 -1.08 0.00 0.00 178.44 178.20 3kni h ARG 18 N 0.58 0.97 0.00 1.13 3.08 -1.60 0.27 114.38 118.82 3kni h ARG 18 Ca 0.52 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.51 3kni h ARG 18 Cb 0.85 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3kni h ARG 18 CO -0.42 0.64 0.00 0.54 -1.07 0.00 0.00 179.97 179.66 3kni n ARG 19 N -4.59 0.04 -0.03 0.04 1.74 0.53 -3.20 116.66 111.19 3kni n ARG 19 Ca 0.10 0.38 -0.01 0.00 -0.77 0.00 0.00 57.85 57.55 3kni n ARG 19 Cb 0.10 -1.58 -0.00 0.00 -1.02 0.00 0.00 32.46 29.96 3kni n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kni h ALA 20 N 2.28 0.00 0.00 7.54 0.00 0.19 -3.48 119.26 125.80 3kni h ALA 20 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kni h ALA 20 Cb 0.17 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kni h ALA 20 CO 0.00 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.78 3kni n GLY 21 N 1.79 -0.22 3.93 0.00 0.00 -0.96 -5.12 105.19 104.61 3kni n GLY 21 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 3kni n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kni s LYS 22 N 0.00 3.38 -0.18 1.61 3.01 -0.97 -1.32 119.74 125.27 3kni s LYS 22 Ca 0.00 -0.63 -0.01 0.00 -1.01 0.00 0.00 55.97 54.32 3kni s LYS 22 Cb 0.00 -2.93 -0.00 0.00 -1.01 0.00 0.00 37.83 33.89 3kni s LYS 22 CO 0.00 0.52 -0.11 -1.17 0.51 0.00 0.00 175.35 175.09 3kni s LEU 23 N -3.23 2.61 0.45 3.17 2.96 0.08 -3.72 118.68 121.01 3kni s LEU 23 Ca 0.34 -0.45 -0.21 0.00 -0.22 0.00 0.00 54.13 53.59 3kni s LEU 23 Cb -0.11 -1.63 -0.09 0.00 0.50 0.00 0.00 46.19 44.86 3kni s LEU 23 CO 0.28 0.04 1.02 -2.84 -1.32 0.00 0.00 176.35 173.53 3kni s PRO 24 N 1.10 3.98 0.00 0.98 0.02 -1.26 -1.49 135.00 138.33 3kni s PRO 24 Ca 0.00 1.34 0.00 0.00 0.02 0.00 0.00 61.00 62.36 3kni s PRO 24 Cb -0.14 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.16 3kni s PRO 24 CO -0.03 -0.27 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 3kni n GLY 25 N -0.20 3.29 0.00 0.52 0.00 -0.78 -1.77 105.19 106.24 3kni n GLY 25 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3kni n GLY 25 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3kni n VAL 26 N 0.00 0.00 -3.78 1.61 3.14 -0.78 -3.62 118.33 114.89 3kni n VAL 26 Ca 0.00 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 3kni n VAL 26 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 3kni n VAL 26 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kni s MET 27 N -2.00 0.44 0.34 1.45 0.23 -0.99 0.15 119.30 118.91 3kni s MET 27 Ca 0.00 0.19 -0.17 0.00 -1.03 0.00 0.00 55.69 54.67 3kni s MET 27 Cb 0.00 0.20 0.04 0.00 -1.53 0.00 0.00 34.83 33.54 3kni s MET 27 CO 0.00 -0.08 0.75 1.52 -2.03 0.00 0.00 175.02 175.18 3kni s TYR 28 N -0.35 0.03 0.00 3.16 -0.85 -0.68 -3.85 117.35 114.80 3kni s TYR 28 Ca -0.05 -0.60 0.00 0.00 -0.52 0.00 0.00 57.07 55.90 3kni s TYR 28 Cb -0.03 0.75 0.00 0.00 0.38 0.00 0.00 41.96 43.06 3kni s TYR 28 CO 0.01 -1.42 0.00 0.27 -1.52 0.00 0.00 175.55 172.90 3kni n ASN 29 N -1.01 0.00 0.00 -0.18 6.94 -1.20 -1.33 115.26 118.48 3kni n ASN 29 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.50 3kni n ASN 29 Cb 0.60 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 3kni n ASN 29 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3kni n ARG 30 N 0.00 0.00 0.00 -3.83 0.63 -1.26 -4.51 116.66 107.69 3kni n ARG 30 Ca 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 3kni n ARG 30 Cb 0.00 -0.46 0.03 0.00 0.45 0.00 0.00 32.46 32.49 3kni n ARG 30 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3kni n HIS 31 N -0.47 0.00 -3.79 -0.14 -0.00 -1.26 -5.01 115.22 104.54 3kni n HIS 31 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3kni n HIS 31 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 3kni n HIS 31 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 3kni s LEU 32 N -2.09 0.44 0.00 2.41 2.96 -1.26 -5.07 118.68 116.06 3kni s LEU 32 Ca 0.20 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3kni s LEU 32 Cb 0.17 1.77 0.00 0.00 0.50 0.00 0.00 46.19 48.63 3kni s LEU 32 CO 0.41 -0.97 0.00 -3.20 -1.32 0.00 0.00 176.35 171.27 3kni n ASN 33 N -0.28 0.36 0.00 3.68 5.15 -1.25 -3.22 115.26 119.70 3kni n ASN 33 Ca -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 3kni n ASN 33 Cb 0.63 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 3kni n ASN 33 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3kni n ARG 34 N -1.26 0.00 -2.31 1.20 5.12 -1.25 -4.24 116.66 113.92 3kni n ARG 34 Ca 0.00 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.64 3kni n ARG 34 Cb 0.04 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.36 3kni n ARG 34 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3kni s LYS 35 N 0.00 3.19 0.00 5.56 1.02 -1.26 -2.36 119.74 125.89 3kni s LYS 35 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.22 3kni s LYS 35 Cb 0.00 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 3kni s LYS 35 CO 0.00 -0.59 0.00 1.33 -0.92 0.00 0.00 175.35 175.17 3kni n VAL 36 N -2.58 0.00 -3.15 3.17 0.24 -1.24 -3.36 118.33 111.42 3kni n VAL 36 Ca 0.04 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.39 3kni n VAL 36 Cb 0.56 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.93 3kni n VAL 36 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 3kni s TYR 37 N -7.07 -0.80 0.22 6.34 -0.85 -1.16 -1.87 117.35 112.16 3kni s TYR 37 Ca 0.00 0.63 -0.05 0.00 -0.52 0.00 0.00 57.07 57.13 3kni s TYR 37 Cb 0.00 0.20 -0.06 0.00 0.38 0.00 0.00 41.96 42.48 3kni s TYR 37 CO 0.00 -0.45 0.48 0.14 -1.52 0.00 0.00 175.55 174.20 3kni s VAL 38 N 2.93 5.07 0.35 -3.49 -7.23 -0.55 -3.66 120.40 113.82 3kni s VAL 38 Ca 0.14 0.07 -0.28 0.00 -1.81 0.00 0.00 61.98 60.09 3kni s VAL 38 Cb -0.07 -3.68 -0.11 0.00 0.56 0.00 0.00 36.38 33.08 3kni s VAL 38 CO -0.19 -0.15 1.44 -0.62 -0.31 0.00 0.00 175.10 175.28 3kni s ASP 39 N -2.81 6.48 0.07 4.85 -1.08 -1.26 -0.74 116.67 122.18 3kni s ASP 39 Ca 0.43 2.93 -0.28 0.00 -0.52 0.00 0.00 52.55 55.10 3kni s ASP 39 Cb -0.11 -2.66 -0.17 0.00 -1.46 0.00 0.00 42.92 38.52 3kni s ASP 39 CO 0.27 -0.78 1.61 0.25 0.52 0.00 0.00 175.17 177.04 3kni h LEU 40 N 3.34 -0.43 -0.97 -1.34 6.46 -1.47 -0.36 115.31 120.53 3kni h LEU 40 Ca -0.50 -0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.15 3kni h LEU 40 Cb 1.23 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 3kni h LEU 40 CO 0.66 -0.27 -0.48 1.62 -0.62 0.00 0.00 178.44 179.36 3kni h VAL 41 N -0.56 1.22 0.08 1.05 3.04 -1.93 -2.69 116.25 116.46 3kni h VAL 41 Ca -0.05 -1.70 -0.12 0.00 -1.01 0.00 0.00 66.70 63.82 3kni h VAL 41 Cb 0.42 1.95 0.01 0.00 -2.01 0.00 0.00 31.29 31.66 3kni h VAL 41 CO 0.09 0.47 -0.50 -0.33 -1.01 0.00 0.00 177.57 176.28 3kni h GLU 42 N 0.00 0.20 -0.03 4.17 5.08 -1.92 -3.20 114.58 118.88 3kni h GLU 42 Ca -0.00 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.06 3kni h GLU 42 Cb 0.91 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 3kni h GLU 42 CO 0.06 1.14 -0.49 0.35 -1.00 0.00 0.00 179.01 179.06 3kni h PHE 43 N -0.57 -1.46 0.00 4.33 3.04 -1.07 -2.98 116.94 118.22 3kni h PHE 43 Ca -0.09 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.91 3kni h PHE 43 Cb 1.38 0.64 0.00 0.00 2.56 0.00 0.00 35.95 40.53 3kni h PHE 43 CO 0.22 -0.52 0.00 -3.47 -2.02 0.00 0.00 178.31 172.52 3kni n ASP 44 N -5.20 0.00 -0.23 0.41 -0.08 -1.02 0.28 116.55 110.72 3kni n ASP 44 Ca -0.07 0.95 0.21 0.00 -1.51 0.00 0.00 54.79 54.38 3kni n ASP 44 Cb 0.36 -0.46 0.38 0.00 2.34 0.00 0.00 41.12 43.74 3kni n ASP 44 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3kni n LYS 45 N -2.85 -0.03 0.00 -0.67 5.02 -1.14 -0.73 118.16 117.76 3kni n LYS 45 Ca 0.00 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 3kni n LYS 45 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 3kni n LYS 45 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3kni n VAL 46 N -4.20 0.00 -0.49 -0.18 0.31 0.14 -3.94 118.33 109.96 3kni n VAL 46 Ca 0.24 0.78 0.41 0.00 -0.01 0.00 0.00 64.34 65.76 3kni n VAL 46 Cb 0.85 -1.68 0.72 0.00 -0.91 0.00 0.00 33.84 32.81 3kni n VAL 46 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3kni h PHE 47 N 0.00 0.26 -0.89 3.52 3.04 -0.14 0.31 116.94 123.04 3kni h PHE 47 Ca 0.00 0.01 0.24 0.00 3.98 0.00 0.00 57.97 62.20 3kni h PHE 47 Cb 0.00 -0.07 -0.15 0.00 2.56 0.00 0.00 35.95 38.29 3kni h PHE 47 CO 0.07 -0.08 0.19 0.00 -2.02 0.00 0.00 178.31 176.47 3kni h ARG 48 N 0.07 0.15 0.00 1.11 2.47 -1.32 0.98 114.38 117.83 3kni h ARG 48 Ca 0.79 -0.01 -0.37 0.00 -1.26 0.00 0.00 59.98 59.13 3kni h ARG 48 Cb 2.80 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 31.03 3kni h ARG 48 CO -0.20 0.10 -2.25 1.04 0.56 0.00 0.00 179.97 179.23 3kni n GLN 49 N -5.28 0.48 -0.25 0.04 6.02 0.78 -4.59 117.38 114.57 3kni n GLN 49 Ca 0.21 0.20 0.01 0.00 -0.01 0.00 0.00 57.00 57.41 3kni n GLN 49 Cb 0.70 -1.32 0.14 0.00 1.02 0.00 0.00 30.24 30.78 3kni n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kni h ALA 50 N -0.69 1.00 0.00 -1.58 0.00 -0.51 -3.46 119.26 114.02 3kni h ALA 50 Ca -0.56 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3kni h ALA 50 Cb 1.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3kni h ALA 50 CO -0.31 -0.02 0.00 0.45 0.00 0.00 0.00 179.25 179.37 3kni n SER 51 N -4.84 0.00 -3.16 0.00 2.88 0.34 -3.26 113.62 105.58 3kni n SER 51 Ca 0.11 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.43 3kni n SER 51 Cb 0.27 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.68 3kni n SER 51 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3kni n ILE 52 N 0.00 0.63 -1.97 2.46 -6.64 -1.26 -4.67 119.36 107.91 3kni n ILE 52 Ca 0.00 -4.74 0.00 0.00 -1.77 0.00 0.00 62.75 56.24 3kni n ILE 52 Cb 0.00 -1.00 0.00 0.00 -1.44 0.00 0.00 39.64 37.20 3kni n ILE 52 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 3kni n HIS 53 N 0.45 0.00 -3.58 4.28 8.25 -1.20 -4.75 115.22 118.66 3kni n HIS 53 Ca 0.26 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.57 3kni n HIS 53 Cb 0.56 0.16 -0.06 0.00 1.12 0.00 0.00 29.99 31.76 3kni n HIS 53 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3kni s HIS 54 N 0.00 -0.46 0.48 4.41 3.76 -1.24 -4.84 115.29 117.41 3kni s HIS 54 Ca 0.00 0.62 -0.16 0.00 -0.15 0.00 0.00 55.06 55.36 3kni s HIS 54 Cb 0.00 0.33 -0.08 0.00 1.11 0.00 0.00 32.58 33.94 3kni s HIS 54 CO 0.00 -0.61 0.94 0.08 -0.85 0.00 0.00 174.74 174.30 3kni s VAL 55 N -2.00 4.55 0.10 -0.90 1.01 -1.26 -4.76 120.40 117.15 3kni s VAL 55 Ca -0.08 1.17 0.08 0.00 0.00 0.00 0.00 61.98 63.15 3kni s VAL 55 Cb -0.01 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3kni s VAL 55 CO 0.02 -0.59 -0.20 -0.63 0.00 0.00 0.00 175.10 173.70 3kni s ILE 56 N -2.50 1.64 -0.02 2.22 -1.09 0.13 -4.22 121.20 117.36 3kni s ILE 56 Ca 0.58 -1.55 0.07 0.00 -2.23 0.00 0.00 60.65 57.52 3kni s ILE 56 Cb -0.10 -1.52 -0.02 0.00 -1.58 0.00 0.00 42.46 39.24 3kni s ILE 56 CO 0.28 -0.11 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.96 3kni s VAL 57 N -1.27 1.80 -0.38 2.92 1.01 -1.26 0.17 120.40 123.39 3kni s VAL 57 Ca 0.06 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 3kni s VAL 57 Cb -0.10 -1.50 0.10 0.00 0.00 0.00 0.00 36.38 34.89 3kni s VAL 57 CO 0.04 0.51 0.14 -0.76 0.00 0.00 0.00 175.10 175.03 3kni s LEU 58 N -0.47 4.98 -0.68 3.92 1.43 -0.77 -1.60 118.68 125.49 3kni s LEU 58 Ca 0.07 -1.99 -0.26 0.00 -1.03 0.00 0.00 54.13 50.92 3kni s LEU 58 Cb -0.09 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 3kni s LEU 58 CO -0.00 -0.47 2.01 -1.61 0.23 0.00 0.00 176.35 176.51 3kni s GLU 59 N 1.08 2.44 0.43 1.70 2.02 -1.11 -3.84 118.70 121.43 3kni s GLU 59 Ca 0.08 0.50 -0.22 0.00 0.02 0.00 0.00 54.97 55.35 3kni s GLU 59 Cb -0.21 -4.62 -0.09 0.00 0.10 0.00 0.00 34.13 29.30 3kni s GLU 59 CO -0.05 -3.12 1.01 -0.51 0.02 0.00 0.00 175.26 172.61 3kni s LEU 60 N 10.28 4.01 0.48 1.80 2.01 -1.01 -1.75 118.68 134.49 3kni s LEU 60 Ca 0.75 1.88 0.14 0.00 0.01 0.00 0.00 54.13 56.91 3kni s LEU 60 Cb -0.12 -4.39 1.13 0.00 0.01 0.00 0.00 46.19 42.82 3kni s LEU 60 CO 0.15 -0.51 2.10 -0.65 1.01 0.00 0.00 176.35 178.45 3kni h PRO 61 N 2.10 0.11 -2.34 1.29 0.11 -1.89 -2.92 132.00 128.45 3kni h PRO 61 Ca -0.49 -0.01 -0.41 0.00 0.11 0.00 0.00 66.00 65.21 3kni h PRO 61 Cb 1.20 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 3kni h PRO 61 CO 0.61 0.11 1.17 -0.25 -0.21 0.00 0.00 178.00 179.43 3kni n ASP 62 N -4.48 6.64 0.00 -2.05 9.92 -1.26 -4.81 116.55 120.51 3kni n ASP 62 Ca -0.02 -2.63 0.00 0.00 -0.53 0.00 0.00 54.79 51.61 3kni n ASP 62 Cb 0.12 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.16 3kni n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kni n GLY 63 N 2.59 0.73 0.00 0.44 0.00 -1.10 -4.93 105.19 102.92 3kni n GLY 63 Ca 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3kni n GLY 63 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kni n GLN 64 N 0.00 0.00 -2.69 1.61 1.13 -1.25 -4.47 117.38 111.71 3kni n GLN 64 Ca 0.00 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 3kni n GLN 64 Cb 0.00 0.00 0.12 0.00 0.11 0.00 0.00 30.24 30.47 3kni n GLN 64 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3kni n SER 65 N 0.00 -1.61 -4.73 1.08 2.88 -1.26 -2.42 113.62 107.56 3kni n SER 65 Ca 0.00 -2.38 -0.41 0.00 -1.33 0.00 0.00 58.87 54.75 3kni n SER 65 Cb 0.00 0.84 -0.03 0.00 -0.75 0.00 0.00 64.21 64.27 3kni n SER 65 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3kni s LEU 66 N -3.52 4.42 0.42 2.46 1.02 -1.25 -4.68 118.68 117.55 3kni s LEU 66 Ca 0.18 2.31 -0.14 0.00 0.02 0.00 0.00 54.13 56.50 3kni s LEU 66 Cb 0.42 -3.60 -0.08 0.00 0.02 0.00 0.00 46.19 42.94 3kni s LEU 66 CO -0.10 -0.49 0.84 -2.16 0.02 0.00 0.00 176.35 174.46 3kni s PRO 67 N 0.04 3.93 0.11 1.29 0.04 -1.26 -1.86 135.00 137.30 3kni s PRO 67 Ca 0.56 0.72 -0.17 0.00 0.04 0.00 0.00 61.00 62.15 3kni s PRO 67 Cb -0.35 -2.31 0.04 0.00 0.04 0.00 0.00 34.50 31.92 3kni s PRO 67 CO 0.36 -0.05 0.42 0.95 0.04 0.00 0.00 177.00 178.72 3kni s THR 68 N -2.33 0.06 -0.25 1.26 -4.23 0.46 -2.41 115.64 108.21 3kni s THR 68 Ca 0.55 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 3kni s THR 68 Cb -0.10 -1.12 0.04 0.00 1.34 0.00 0.00 72.50 72.66 3kni s THR 68 CO 0.26 -0.28 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.21 3kni s LEU 69 N -2.67 3.19 0.00 4.79 1.43 -0.03 0.17 118.68 125.56 3kni s LEU 69 Ca 0.02 -1.04 -0.37 0.00 -1.03 0.00 0.00 54.13 51.71 3kni s LEU 69 Cb 0.01 -1.61 -0.15 0.00 0.03 0.00 0.00 46.19 44.47 3kni s LEU 69 CO -0.11 -0.14 1.55 0.52 0.23 0.00 0.00 176.35 178.40 3kni n VAL 70 N 4.59 0.14 -0.09 -1.59 0.31 -1.26 -2.44 118.33 117.98 3kni n VAL 70 Ca -0.16 -0.03 -0.23 0.00 -0.01 0.00 0.00 64.34 63.92 3kni n VAL 70 Cb 0.46 -1.20 -0.12 0.00 -0.91 0.00 0.00 33.84 32.07 3kni n VAL 70 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kni n ARG 71 N 3.85 0.59 -3.74 5.55 5.12 0.41 -4.86 116.66 123.58 3kni n ARG 71 Ca 0.20 0.50 -0.09 0.00 -1.93 0.00 0.00 57.85 56.53 3kni n ARG 71 Cb 0.21 -1.71 -0.03 0.00 -1.16 0.00 0.00 32.46 29.77 3kni n ARG 71 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 3kni s GLN 72 N -2.41 1.46 -0.29 5.56 -2.07 -1.21 -5.00 119.66 115.71 3kni s GLN 72 Ca -0.29 -0.87 -0.01 0.00 -1.82 0.00 0.00 55.36 52.37 3kni s GLN 72 Cb 0.07 0.54 0.13 0.00 -1.09 0.00 0.00 33.01 32.66 3kni s GLN 72 CO 0.60 -0.63 0.25 0.08 -1.32 0.00 0.00 175.29 174.27 3kni s VAL 73 N -3.88 -0.32 -0.18 3.63 1.01 -1.26 -0.23 120.40 119.17 3kni s VAL 73 Ca 0.09 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 3kni s VAL 73 Cb -0.02 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3kni s VAL 73 CO -0.01 -0.54 1.71 0.20 0.00 0.00 0.00 175.10 176.46 3kni s ASN 74 N 2.28 6.32 -0.16 3.32 -0.87 -0.89 -4.91 114.94 120.04 3kni s ASN 74 Ca 0.09 1.81 -0.11 0.00 -1.57 0.00 0.00 52.86 53.09 3kni s ASN 74 Cb -0.14 -2.53 -0.05 0.00 -0.02 0.00 0.00 41.25 38.51 3kni s ASN 74 CO -0.34 -1.27 0.20 -0.76 -2.57 0.00 0.00 177.10 172.36 3kni s LEU 75 N 5.32 4.28 -0.39 0.60 2.01 -1.26 -0.59 118.68 128.64 3kni s LEU 75 Ca 0.76 0.41 -0.28 0.00 0.01 0.00 0.00 54.13 55.03 3kni s LEU 75 Cb -0.28 -2.20 -0.01 0.00 0.01 0.00 0.00 46.19 43.71 3kni s LEU 75 CO 0.31 0.22 1.65 -0.62 1.01 0.00 0.00 176.35 178.92 3kni s ASP 76 N -0.02 6.01 0.11 2.29 2.15 -0.85 -4.88 116.67 121.48 3kni s ASP 76 Ca 0.13 1.01 -0.04 0.00 0.43 0.00 0.00 52.55 54.08 3kni s ASP 76 Cb -0.12 -2.53 0.17 0.00 -0.30 0.00 0.00 42.92 40.14 3kni s ASP 76 CO 0.02 -1.66 0.64 0.29 -0.17 0.00 0.00 175.17 174.29 3kni n LYS 77 N 8.38 -0.05 -3.68 4.34 4.76 -1.26 -3.12 118.16 127.52 3kni n LYS 77 Ca 0.20 0.64 -0.33 0.00 -2.87 0.00 0.00 58.31 55.95 3kni n LYS 77 Cb 0.48 -0.96 -0.05 0.00 -1.84 0.00 0.00 35.03 32.66 3kni n LYS 77 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3kni s ARG 78 N -5.49 3.64 -1.58 1.97 1.81 -1.26 -4.27 118.95 113.77 3kni s ARG 78 Ca -0.06 -0.02 0.00 0.00 -1.72 0.00 0.00 55.73 53.93 3kni s ARG 78 Cb 0.11 -2.97 0.00 0.00 -0.45 0.00 0.00 34.95 31.63 3kni s ARG 78 CO 0.32 0.56 0.00 0.54 -0.68 0.00 0.00 175.30 176.03 3kni n ARG 79 N 0.65 -1.78 -0.52 3.54 5.12 -1.26 -4.20 116.66 118.22 3kni n ARG 79 Ca -0.07 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 56.74 3kni n ARG 79 Cb 0.52 -5.46 0.00 0.00 -1.16 0.00 0.00 32.46 26.36 3kni n ARG 79 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3kni n ARG 80 N -2.76 -0.14 -4.64 5.56 1.85 -1.18 -4.83 116.66 110.53 3kni n ARG 80 Ca -0.20 -0.07 -0.32 0.00 -1.00 0.00 0.00 57.85 56.26 3kni n ARG 80 Cb 0.64 0.13 -0.12 0.00 -1.05 0.00 0.00 32.46 32.06 3kni n ARG 80 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3kni s ARG 81 N -0.68 2.38 0.11 2.89 3.52 -1.26 -4.94 118.95 120.96 3kni s ARG 81 Ca 0.00 -0.80 -0.31 0.00 -0.13 0.00 0.00 55.73 54.49 3kni s ARG 81 Cb 0.00 -2.36 -0.08 0.00 -1.56 0.00 0.00 34.95 30.94 3kni s ARG 81 CO 0.00 0.59 1.47 -1.25 -0.81 0.00 0.00 175.30 175.29 3kni s PRO 82 N -1.24 4.28 -0.05 5.12 0.04 -1.26 -2.01 135.00 139.87 3kni s PRO 82 Ca 0.15 2.16 -0.01 0.00 0.04 0.00 0.00 61.00 63.34 3kni s PRO 82 Cb -0.11 -3.31 -0.26 0.00 0.04 0.00 0.00 34.50 30.86 3kni s PRO 82 CO 0.05 -0.53 0.63 0.93 0.04 0.00 0.00 177.00 178.12 3kni h GLU 83 N 7.12 0.20 -1.53 4.56 5.08 -1.19 -3.46 114.58 125.35 3kni h GLU 83 Ca -0.42 -0.33 0.11 0.00 -1.00 0.00 0.00 59.36 57.71 3kni h GLU 83 Cb 1.20 0.12 -0.27 0.00 0.50 0.00 0.00 28.75 30.31 3kni h GLU 83 CO 0.89 1.00 0.41 -1.58 -1.00 0.00 0.00 179.01 178.73 3kni s HIS 84 N -2.59 -0.54 0.10 4.33 5.04 -1.18 -4.34 115.29 116.12 3kni s HIS 84 Ca -0.13 1.11 0.02 0.00 -1.54 0.00 0.00 55.06 54.52 3kni s HIS 84 Cb 0.07 0.35 -0.04 0.00 0.04 0.00 0.00 32.58 33.00 3kni s HIS 84 CO 0.82 -0.26 0.21 0.14 -2.34 0.00 0.00 174.74 173.31 3kni s VAL 85 N 1.08 5.18 -0.20 0.89 -7.23 -0.73 -2.09 120.40 117.31 3kni s VAL 85 Ca -0.06 -0.60 -0.01 0.00 -1.81 0.00 0.00 61.98 59.50 3kni s VAL 85 Cb -0.04 -3.58 0.01 0.00 0.56 0.00 0.00 36.38 33.33 3kni s VAL 85 CO -0.13 0.04 -0.13 -1.81 -0.31 0.00 0.00 175.10 172.75 3kni s ASP 86 N -2.80 3.68 -0.34 4.85 1.11 0.67 -1.88 116.67 121.97 3kni s ASP 86 Ca 0.34 -0.62 -0.09 0.00 0.18 0.00 0.00 52.55 52.35 3kni s ASP 86 Cb -0.12 -1.58 0.02 0.00 1.07 0.00 0.00 42.92 42.30 3kni s ASP 86 CO 0.27 -0.03 0.15 -0.36 1.18 0.00 0.00 175.17 176.38 3kni s PHE 87 N 1.35 3.21 -0.29 4.23 0.40 0.39 -0.45 117.98 126.83 3kni s PHE 87 Ca 0.04 -0.97 -0.28 0.00 -0.60 0.00 0.00 56.93 55.12 3kni s PHE 87 Cb -0.14 -2.36 0.01 0.00 0.51 0.00 0.00 43.02 41.05 3kni s PHE 87 CO -0.09 -0.61 1.00 0.12 0.70 0.00 0.00 175.22 176.34 3kni s PHE 88 N 1.53 3.22 -0.25 0.36 5.99 -1.02 -1.69 117.98 126.11 3kni s PHE 88 Ca 0.02 1.19 -0.26 0.00 0.00 0.00 0.00 56.93 57.89 3kni s PHE 88 Cb -0.18 -3.46 -0.00 0.00 0.00 0.00 0.00 43.02 39.37 3kni s PHE 88 CO 0.05 -0.64 0.88 0.08 -0.00 0.00 0.00 175.22 175.60 3kni s VAL 89 N 3.37 4.78 0.41 3.12 1.01 -0.44 -0.85 120.40 131.80 3kni s VAL 89 Ca 0.42 1.65 -0.21 0.00 0.00 0.00 0.00 61.98 63.84 3kni s VAL 89 Cb -0.13 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 31.96 3kni s VAL 89 CO 0.12 -0.13 0.94 -0.76 0.00 0.00 0.00 175.10 175.26 3kni s LEU 90 N 2.97 3.98 0.00 3.92 1.02 -1.01 -4.73 118.68 124.83 3kni s LEU 90 Ca 0.37 1.68 0.00 0.00 0.02 0.00 0.00 54.13 56.20 3kni s LEU 90 Cb -0.15 -4.46 0.00 0.00 0.02 0.00 0.00 46.19 41.60 3kni s LEU 90 CO 0.08 -0.32 0.00 -0.24 0.02 0.00 0.00 176.35 175.88 3kni n SER 91 N -0.51 0.00 0.00 2.29 2.88 -1.26 -4.76 113.62 112.25 3kni n SER 91 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 3kni n SER 91 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 3kni n SER 91 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3kni n ASP 92 N 0.00 0.00 -4.76 -3.46 5.68 -1.26 -4.83 116.55 107.92 3kni n ASP 92 Ca 0.00 -0.78 -0.41 0.00 -0.50 0.00 0.00 54.79 53.10 3kni n ASP 92 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 3kni n ASP 92 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3kni s GLU 93 N 0.00 4.48 -0.93 0.11 0.41 -1.26 -4.64 118.70 116.86 3kni s GLU 93 Ca 0.00 2.02 -0.24 0.00 -0.41 0.00 0.00 54.97 56.34 3kni s GLU 93 Cb 0.00 -3.14 -0.05 0.00 -1.78 0.00 0.00 34.13 29.16 3kni s GLU 93 CO 0.00 -0.04 1.95 -2.14 -0.49 0.00 0.00 175.26 174.55 3kni s PRO 94 N -1.38 2.53 0.72 0.39 0.02 -1.26 -4.13 135.00 131.88 3kni s PRO 94 Ca 0.48 -0.37 -0.11 0.00 0.02 0.00 0.00 61.00 61.03 3kni s PRO 94 Cb -0.36 -5.08 0.02 0.00 0.02 0.00 0.00 34.50 29.10 3kni s PRO 94 CO 0.46 -3.46 1.07 0.08 -0.33 0.00 0.00 177.00 174.81 3kni s VAL 95 N 10.27 3.84 0.35 3.83 1.01 -0.92 -4.72 120.40 134.06 3kni s VAL 95 Ca 0.70 0.60 0.06 0.00 0.00 0.00 0.00 61.98 63.34 3kni s VAL 95 Cb -0.06 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3kni s VAL 95 CO 0.01 -0.78 0.49 -1.61 0.00 0.00 0.00 175.10 173.21 3kni s GLU 96 N -5.02 3.11 0.00 2.72 2.02 -1.26 -2.78 118.70 117.49 3kni s GLU 96 Ca 0.59 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.61 3kni s GLU 96 Cb -0.15 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.29 3kni s GLU 96 CO 0.55 0.03 0.00 0.00 0.02 0.00 0.00 175.26 175.86 3kni n MET 97 N -1.68 -0.95 -3.03 1.61 0.00 -1.07 -4.98 117.12 107.02 3kni n MET 97 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.51 3kni n MET 97 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.81 3kni n MET 97 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kni s TYR 98 N -2.00 2.96 -0.06 3.17 2.02 -1.26 0.10 117.35 122.28 3kni s TYR 98 Ca 0.00 -0.16 -0.03 0.00 -0.37 0.00 0.00 57.07 56.51 3kni s TYR 98 Cb 0.00 -2.36 0.04 0.00 -0.40 0.00 0.00 41.96 39.24 3kni s TYR 98 CO 0.00 -0.42 0.14 0.08 -1.57 0.00 0.00 175.55 173.78 3kni s VAL 99 N -2.44 -0.07 0.72 0.71 1.01 0.12 -4.81 120.40 115.65 3kni s VAL 99 Ca 0.52 0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.54 3kni s VAL 99 Cb -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 3kni s VAL 99 CO 0.35 0.08 0.55 -2.65 0.00 0.00 0.00 175.10 173.43 3kni n PRO 100 N 4.30 0.31 -4.20 2.72 -0.02 -1.26 -0.12 135.00 136.74 3kni n PRO 100 Ca -0.25 0.14 -0.17 0.00 -2.02 0.00 0.00 63.50 61.20 3kni n PRO 100 Cb 0.51 -1.84 -0.12 0.00 -0.02 0.00 0.00 33.50 32.03 3kni n PRO 100 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kni s LEU 101 N -0.33 2.22 -0.20 2.45 1.02 0.15 -1.43 118.68 122.55 3kni s LEU 101 Ca 0.66 -0.51 -0.01 0.00 0.02 0.00 0.00 54.13 54.30 3kni s LEU 101 Cb -0.35 -0.42 0.05 0.00 0.02 0.00 0.00 46.19 45.49 3kni s LEU 101 CO 0.58 -0.07 -0.03 -0.13 0.02 0.00 0.00 176.35 176.72 3kni s ARG 102 N -1.38 1.32 -1.08 1.70 0.52 -1.12 -4.90 118.95 114.01 3kni s ARG 102 Ca -0.03 -0.70 -0.04 0.00 -0.52 0.00 0.00 55.73 54.44 3kni s ARG 102 Cb -0.09 -2.29 0.31 0.00 0.52 0.00 0.00 34.95 33.40 3kni s ARG 102 CO 0.01 -0.56 1.46 1.19 0.02 0.00 0.00 175.30 177.42 3kni n PHE 103 N 4.83 2.41 -1.51 -0.53 3.72 -1.26 -2.33 117.46 122.79 3kni n PHE 103 Ca -0.11 -2.66 -0.28 0.00 -0.05 0.00 0.00 57.45 54.35 3kni n PHE 103 Cb 0.46 -1.27 -0.18 0.00 -0.94 0.00 0.00 39.48 37.55 3kni n PHE 103 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3kni n VAL 104 N 1.38 -0.00 0.00 -4.37 3.14 -1.26 -4.30 118.33 112.91 3kni n VAL 104 Ca 0.26 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 3kni n VAL 104 Cb 0.33 -0.45 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 3kni n VAL 104 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kni n GLY 105 N 5.96 0.54 3.32 7.55 0.00 -1.26 -4.90 105.19 116.39 3kni n GLY 105 Ca 0.64 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 3kni n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kni s THR 106 N 0.00 0.05 1.00 2.61 -4.23 -1.26 -5.13 115.64 108.68 3kni s THR 106 Ca 0.00 -0.39 -0.20 0.00 -1.18 0.00 0.00 61.69 59.92 3kni s THR 106 Cb 0.00 -0.81 -0.15 0.00 1.34 0.00 0.00 72.50 72.88 3kni s THR 106 CO 0.00 -0.21 -0.97 -0.81 -0.54 0.00 0.00 174.62 172.09 3kni n PRO 107 N 0.94 -0.04 0.00 3.99 -0.04 -1.26 -4.69 135.00 133.90 3kni n PRO 107 Ca -0.20 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 3kni n PRO 107 Cb 0.57 -1.05 0.01 0.00 -0.04 0.00 0.00 33.50 33.00 3kni n PRO 107 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kni n ALA 108 N -2.87 1.74 -3.98 0.55 0.00 -1.26 -4.16 120.51 110.53 3kni n ALA 108 Ca -0.02 -0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 3kni n ALA 108 Cb 0.62 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.92 3kni n ALA 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kni s GLY 109 N -1.77 2.08 -0.42 0.00 0.00 -1.26 -4.80 107.32 101.15 3kni s GLY 109 Ca 0.00 -2.74 0.08 0.00 0.00 0.00 0.00 44.72 42.07 3kni s GLY 109 CO 0.00 0.96 1.19 1.55 0.00 0.00 0.00 173.10 176.81 3kni n VAL 110 N 3.97 0.05 0.14 1.40 3.14 -1.26 -3.83 118.33 121.94 3kni n VAL 110 Ca 0.04 -1.78 0.00 0.00 -2.96 0.00 0.00 64.34 59.64 3kni n VAL 110 Cb 0.39 1.13 0.00 0.00 -1.06 0.00 0.00 33.84 34.30 3kni n VAL 110 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3kni n ARG 111 N -0.09 0.00 -0.00 1.45 0.63 -1.26 -5.00 116.66 112.38 3kni n ARG 111 Ca 0.03 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.98 3kni n ARG 111 Cb 0.77 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.66 3kni n ARG 111 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kni n ALA 112 N -3.28 2.26 0.00 5.13 0.00 -1.26 -4.98 120.51 118.39 3kni n ALA 112 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3kni n ALA 112 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3kni n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kni n GLY 113 N 1.64 -1.79 2.97 0.00 0.00 -1.26 -4.75 105.19 101.99 3kni n GLY 113 Ca 0.00 0.68 -0.14 0.00 0.00 0.00 0.00 46.02 46.56 3kni n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kni s GLY 114 N 0.00 -0.07 -0.38 -0.02 0.00 -1.26 -3.95 107.32 101.64 3kni s GLY 114 Ca 0.00 0.83 0.04 0.00 0.00 0.00 0.00 44.72 45.59 3kni s GLY 114 CO 0.00 1.59 0.40 0.14 0.00 0.00 0.00 173.10 175.23 3kni s VAL 115 N 1.93 -0.38 0.13 1.40 1.01 -1.25 -3.99 120.40 119.25 3kni s VAL 115 Ca -0.02 -0.96 -0.32 0.00 0.00 0.00 0.00 61.98 60.68 3kni s VAL 115 Cb -0.12 -0.61 -0.18 0.00 0.00 0.00 0.00 36.38 35.48 3kni s VAL 115 CO -0.08 -0.54 0.71 -0.11 0.00 0.00 0.00 175.10 175.08 3kni n LEU 116 N 4.18 -0.80 -4.94 3.92 0.00 -1.26 -4.23 117.00 113.88 3kni n LEU 116 Ca 0.12 1.13 -0.24 0.00 0.00 0.00 0.00 56.01 57.02 3kni n LEU 116 Cb 0.46 -0.93 -0.01 0.00 0.00 0.00 0.00 43.42 42.94 3kni n LEU 116 CO 0.08 -2.58 0.19 -1.58 0.00 0.00 0.00 177.39 173.50 3kni s GLN 117 N -0.64 3.47 -1.04 1.96 0.74 -0.88 -4.90 119.66 118.37 3kni s GLN 117 Ca 0.73 -0.32 -0.02 0.00 0.05 0.00 0.00 55.36 55.81 3kni s GLN 117 Cb -1.04 -2.64 0.29 0.00 1.10 0.00 0.00 33.01 30.72 3kni s GLN 117 CO 0.56 0.11 1.93 -0.85 -0.55 0.00 0.00 175.29 176.49 3kni n GLU 118 N -1.82 5.07 -1.45 1.67 0.28 -1.26 -3.69 120.64 119.43 3kni n GLU 118 Ca -0.04 -4.39 -0.35 0.00 -0.16 0.00 0.00 57.16 52.22 3kni n GLU 118 Cb 0.56 -2.47 -0.04 0.00 1.43 0.00 0.00 31.44 30.92 3kni n GLU 118 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3kni n ILE 119 N 0.13 4.34 0.00 3.84 5.41 -1.19 -4.28 119.36 127.60 3kni n ILE 119 Ca 0.50 -2.90 0.00 0.00 1.00 0.00 0.00 62.75 61.34 3kni n ILE 119 Cb 0.26 -2.35 0.00 0.00 -0.71 0.00 0.00 39.64 36.84 3kni n ILE 119 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3kni n HIS 120 N 2.84 0.00 1.20 1.39 8.25 -1.12 -3.36 115.22 124.42 3kni n HIS 120 Ca 0.69 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 58.26 3kni n HIS 120 Cb 0.34 0.00 0.61 0.00 1.12 0.00 0.00 29.99 32.05 3kni n HIS 120 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kni n ARG 121 N 0.00 0.48 -4.07 -0.41 1.74 -1.26 -4.70 116.66 108.44 3kni n ARG 121 Ca 0.00 0.05 -0.10 0.00 -0.77 0.00 0.00 57.85 57.03 3kni n ARG 121 Cb 0.00 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.86 3kni n ARG 121 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3kni s ASP 122 N -2.34 0.15 0.00 0.55 1.47 -1.26 0.30 116.67 115.54 3kni s ASP 122 Ca 0.26 -1.07 0.00 0.00 1.18 0.00 0.00 52.55 52.92 3kni s ASP 122 Cb 0.15 0.39 -0.00 0.00 -0.34 0.00 0.00 42.92 43.12 3kni s ASP 122 CO 0.31 -0.84 -0.01 -0.51 0.68 0.00 0.00 175.17 174.79 3kni s ILE 123 N -4.03 0.07 0.37 2.11 2.07 0.84 -4.75 121.20 117.88 3kni s ILE 123 Ca 0.23 -0.07 -0.28 0.00 -1.41 0.00 0.00 60.65 59.12 3kni s ILE 123 Cb 0.05 -0.08 -0.10 0.00 0.13 0.00 0.00 42.46 42.46 3kni s ILE 123 CO 0.03 -0.00 1.38 -0.22 -1.91 0.00 0.00 174.94 174.22 3kni s LEU 124 N -0.08 4.33 0.30 8.50 2.96 -1.26 0.13 118.68 133.56 3kni s LEU 124 Ca -0.00 2.83 -0.04 0.00 -0.22 0.00 0.00 54.13 56.70 3kni s LEU 124 Cb -0.01 -3.72 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 3kni s LEU 124 CO -0.00 -0.76 0.42 0.68 -1.32 0.00 0.00 176.35 175.37 3kni s VAL 125 N -1.16 0.00 -0.40 1.68 -7.23 0.29 -3.58 120.40 110.00 3kni s VAL 125 Ca 0.52 -1.64 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 3kni s VAL 125 Cb -0.42 -2.53 0.13 0.00 0.56 0.00 0.00 36.38 34.12 3kni s VAL 125 CO 0.56 0.00 0.20 -0.75 -0.31 0.00 0.00 175.10 174.80 3kni s LYS 126 N -3.42 1.10 0.24 4.82 2.20 -1.19 -2.59 119.74 120.90 3kni s LYS 126 Ca 0.31 -1.73 0.11 0.00 -0.36 0.00 0.00 55.97 54.30 3kni s LYS 126 Cb 0.01 -2.21 -0.05 0.00 -1.51 0.00 0.00 37.83 34.07 3kni s LYS 126 CO 0.17 -1.12 -0.20 0.54 -0.36 0.00 0.00 175.35 174.39 3kni s VAL 127 N 0.73 2.29 0.19 4.02 0.11 -1.12 -3.86 120.40 122.77 3kni s VAL 127 Ca 0.16 -2.26 -0.17 0.00 -2.93 0.00 0.00 61.98 56.77 3kni s VAL 127 Cb -0.23 -2.19 -0.08 0.00 -1.53 0.00 0.00 36.38 32.36 3kni s VAL 127 CO -0.06 -0.36 0.65 -0.55 -3.33 0.00 0.00 175.10 171.45 3kni s SER 128 N -3.23 6.96 0.00 3.54 0.15 -1.26 -2.16 113.70 117.71 3kni s SER 128 Ca 0.26 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.19 3kni s SER 128 Cb -0.05 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 3kni s SER 128 CO 0.12 0.07 0.53 -2.65 1.20 0.00 0.00 173.24 172.50 3kni n PRO 129 N 0.77 0.00 -0.03 5.44 -0.02 -1.26 -1.65 135.00 138.25 3kni n PRO 129 Ca -0.04 0.08 -0.19 0.00 -2.02 0.00 0.00 63.50 61.33 3kni n PRO 129 Cb 0.51 -1.51 -0.14 0.00 -0.02 0.00 0.00 33.50 32.35 3kni n PRO 129 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kni n ARG 130 N -1.03 0.72 -2.98 -0.52 1.74 -1.26 -4.63 116.66 108.70 3kni n ARG 130 Ca 0.00 0.23 -0.29 0.00 -0.77 0.00 0.00 57.85 57.02 3kni n ARG 130 Cb 0.01 -1.67 -0.04 0.00 -1.02 0.00 0.00 32.46 29.75 3kni n ARG 130 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kni n ASN 131 N -3.37 4.81 -4.61 0.55 3.02 -0.66 -5.02 115.26 109.98 3kni n ASN 131 Ca -0.34 -3.64 -0.38 0.00 -0.03 0.00 0.00 54.58 50.19 3kni n ASN 131 Cb 1.04 -0.67 -0.11 0.00 -0.61 0.00 0.00 39.78 39.43 3kni n ASN 131 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kni s ILE 132 N -4.10 5.31 0.00 2.41 1.01 -1.26 -4.71 121.20 119.86 3kni s ILE 132 Ca 0.46 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.31 3kni s ILE 132 Cb 0.24 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3kni s ILE 132 CO -0.11 0.27 0.00 -0.81 0.00 0.00 0.00 174.94 174.28 3kni n PRO 133 N 4.90 2.72 0.00 2.79 -0.04 -1.26 -5.02 135.00 139.10 3kni n PRO 133 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3kni n PRO 133 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3kni n PRO 133 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kni n GLU 134 N 0.00 3.28 -3.36 0.54 2.13 -1.26 -5.03 120.64 116.94 3kni n GLU 134 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3kni n GLU 134 Cb 0.00 -0.56 0.00 0.00 0.27 0.00 0.00 31.44 31.15 3kni n GLU 134 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 3kni n PHE 135 N -0.59 0.00 -3.41 4.31 1.16 -1.26 -4.61 117.46 113.06 3kni n PHE 135 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.44 3kni n PHE 135 Cb 0.00 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.77 3kni n PHE 135 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3kni s ILE 136 N -2.58 -0.48 0.71 1.97 1.01 -0.51 -4.94 121.20 116.39 3kni s ILE 136 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 3kni s ILE 136 Cb 0.00 -0.80 0.05 0.00 0.01 0.00 0.00 42.46 41.72 3kni s ILE 136 CO 0.00 -0.22 1.04 -1.83 0.00 0.00 0.00 174.94 173.94 3kni s GLU 137 N 2.44 2.33 0.00 2.79 -1.05 -1.26 -2.79 118.70 121.15 3kni s GLU 137 Ca 0.10 -0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 3kni s GLU 137 Cb -0.15 -2.12 0.00 0.00 -0.44 0.00 0.00 34.13 31.42 3kni s GLU 137 CO -0.18 -1.21 0.00 0.28 0.95 0.00 0.00 175.26 175.10 3kni n VAL 138 N -2.96 0.00 -2.99 1.83 0.31 -0.98 -4.77 118.33 108.77 3kni n VAL 138 Ca 0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.28 3kni n VAL 138 Cb 0.60 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.50 3kni n VAL 138 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3kni n ASP 139 N 0.00 -2.39 -2.61 4.52 3.85 -1.26 -4.65 116.55 114.02 3kni n ASP 139 Ca 0.00 -2.72 -0.37 0.00 -0.71 0.00 0.00 54.79 50.98 3kni n ASP 139 Cb 0.00 0.92 0.06 0.00 -1.35 0.00 0.00 41.12 40.75 3kni n ASP 139 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3kni n VAL 140 N 2.89 3.62 1.89 2.12 3.14 -1.26 -4.62 118.33 126.12 3kni n VAL 140 Ca 0.22 -3.57 0.05 0.00 -2.96 0.00 0.00 64.34 58.08 3kni n VAL 140 Cb 0.53 -1.20 0.30 0.00 -1.06 0.00 0.00 33.84 32.41 3kni n VAL 140 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3kni n SER 141 N -0.74 0.00 -2.95 6.55 3.41 -1.26 -4.07 113.62 114.56 3kni n SER 141 Ca 0.59 -1.58 -0.14 0.00 -0.26 0.00 0.00 58.87 57.48 3kni n SER 141 Cb 0.46 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.44 3kni n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kni n GLY 142 N 0.59 1.90 2.70 5.00 0.00 -1.26 -4.28 105.19 109.84 3kni n GLY 142 Ca 0.07 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 3kni n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kni s LEU 143 N -2.09 0.03 0.00 0.99 2.01 -1.26 -4.92 118.68 113.45 3kni s LEU 143 Ca 0.31 -1.85 0.00 0.00 0.01 0.00 0.00 54.13 52.60 3kni s LEU 143 Cb 0.30 0.55 0.00 0.00 0.01 0.00 0.00 46.19 47.05 3kni s LEU 143 CO -0.09 -0.22 0.00 1.21 1.01 0.00 0.00 176.35 178.27 3kni n GLU 144 N 3.86 2.53 -0.15 1.70 0.00 -1.26 -4.08 120.64 123.24 3kni n GLU 144 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.30 3kni n GLU 144 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 31.90 3kni n GLU 144 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3kni n ILE 145 N 0.00 0.00 0.00 6.31 -5.35 -1.26 -2.65 119.36 116.41 3kni n ILE 145 Ca 0.00 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 3kni n ILE 145 Cb 0.00 -1.14 0.00 0.00 -1.74 0.00 0.00 39.64 36.76 3kni n ILE 145 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kni n GLY 146 N 3.66 1.11 3.65 3.28 0.00 -1.25 -5.02 105.19 110.62 3kni n GLY 146 Ca 0.01 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3kni n GLY 146 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kni n ASP 147 N 0.00 4.02 -1.08 1.61 -0.08 -1.09 -4.95 116.55 114.99 3kni n ASP 147 Ca 0.00 0.80 0.00 0.00 -1.51 0.00 0.00 54.79 54.08 3kni n ASP 147 Cb 0.00 -1.53 0.00 0.00 2.34 0.00 0.00 41.12 41.93 3kni n ASP 147 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3kni n SER 148 N 8.11 1.18 -1.75 1.67 3.41 -1.26 -4.20 113.62 120.78 3kni n SER 148 Ca 0.22 -0.54 -0.02 0.00 -0.26 0.00 0.00 58.87 58.27 3kni n SER 148 Cb 0.41 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.37 3kni n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kni n LEU 149 N 0.00 -0.15 0.00 1.04 -0.00 -1.26 -5.04 117.00 111.59 3kni n LEU 149 Ca 0.00 -2.40 0.00 0.00 -0.00 0.00 0.00 56.01 53.61 3kni n LEU 149 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 3kni n LEU 149 CO 0.00 1.19 0.12 0.00 -0.00 0.00 0.00 177.39 178.71 3kni n HIS 150 N -0.26 0.00 -0.82 1.47 1.44 -1.26 -4.43 115.22 111.36 3kni n HIS 150 Ca -0.11 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.35 3kni n HIS 150 Cb 0.88 0.00 0.02 0.00 0.12 0.00 0.00 29.99 31.01 3kni n HIS 150 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kni n ALA 151 N -1.93 -2.39 -2.46 1.59 0.00 -1.20 -4.24 120.51 109.88 3kni n ALA 151 Ca 0.00 -0.88 -0.39 0.00 0.00 0.00 0.00 53.44 52.17 3kni n ALA 151 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 3kni n ALA 151 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kni s SER 152 N -0.88 6.39 -0.70 0.00 0.15 -1.26 -4.74 113.70 112.66 3kni s SER 152 Ca 0.23 -2.05 -0.00 0.00 0.70 0.00 0.00 55.95 54.83 3kni s SER 152 Cb 0.07 -2.58 0.40 0.00 -1.71 0.00 0.00 66.02 62.20 3kni s SER 152 CO 0.41 -1.63 1.85 0.47 1.20 0.00 0.00 173.24 175.55 3kni n ASP 153 N 9.77 7.04 -3.77 5.45 8.00 -1.26 -5.01 116.55 136.77 3kni n ASP 153 Ca 0.45 -3.80 -0.22 0.00 0.71 0.00 0.00 54.79 51.93 3kni n ASP 153 Cb 0.47 -0.91 -0.04 0.00 -0.02 0.00 0.00 41.12 40.62 3kni n ASP 153 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kni n LEU 154 N -0.67 0.00 -4.23 0.64 4.77 -1.26 -5.06 117.00 111.18 3kni n LEU 154 Ca 0.54 -2.11 -0.35 0.00 -0.03 0.00 0.00 56.01 54.06 3kni n LEU 154 Cb 0.48 0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.66 3kni n LEU 154 CO 0.57 -0.30 -0.38 -0.75 -1.33 0.00 0.00 177.39 175.20 3kni s LYS 155 N -3.21 2.93 -0.20 3.23 2.20 -1.26 -5.11 119.74 118.32 3kni s LYS 155 Ca 0.00 -0.92 -0.01 0.00 -0.36 0.00 0.00 55.97 54.68 3kni s LYS 155 Cb -0.00 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.28 3kni s LYS 155 CO 0.00 -0.38 -0.12 -0.51 -0.36 0.00 0.00 175.35 173.97 3kni s LEU 156 N 1.37 2.51 1.12 5.43 1.02 -1.26 -4.90 118.68 123.97 3kni s LEU 156 Ca 0.01 -0.52 -0.17 0.00 0.02 0.00 0.00 54.13 53.47 3kni s LEU 156 Cb -0.16 -1.61 0.17 0.00 0.02 0.00 0.00 46.19 44.61 3kni s LEU 156 CO -0.03 -0.01 0.27 -0.81 0.02 0.00 0.00 176.35 175.79 3kni n PRO 157 N 4.70 -2.35 -2.19 1.29 -0.04 -1.26 -4.78 135.00 130.37 3kni n PRO 157 Ca -0.20 -0.69 -0.42 0.00 -0.04 0.00 0.00 63.50 62.16 3kni n PRO 157 Cb 0.50 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 3kni n PRO 157 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3kni s PRO 158 N -3.67 4.31 0.00 0.54 0.02 -1.26 -2.13 135.00 132.81 3kni s PRO 158 Ca 0.49 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.55 3kni s PRO 158 Cb -0.09 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.07 3kni s PRO 158 CO 0.50 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 177.11 3kni n GLY 159 N 3.54 0.72 3.37 0.52 0.00 -1.26 -4.81 105.19 107.27 3kni n GLY 159 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3kni n GLY 159 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kni s VAL 160 N -2.42 3.41 0.05 1.61 1.01 -0.91 -4.00 120.40 119.16 3kni s VAL 160 Ca 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 3kni s VAL 160 Cb 0.00 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3kni s VAL 160 CO 0.00 0.47 -0.04 -0.70 0.00 0.00 0.00 175.10 174.83 3kni s GLU 161 N 0.90 0.60 1.22 2.72 2.12 -1.25 -4.70 118.70 120.30 3kni s GLU 161 Ca -0.01 -1.14 -0.15 0.00 0.36 0.00 0.00 54.97 54.02 3kni s GLU 161 Cb -0.15 0.12 0.28 0.00 0.26 0.00 0.00 34.13 34.64 3kni s GLU 161 CO 0.01 -0.08 0.78 1.28 -0.54 0.00 0.00 175.26 176.71 3kni n LEU 162 N 0.34 -1.83 -0.95 2.70 4.32 -1.26 -3.17 117.00 117.14 3kni n LEU 162 Ca -0.15 -0.29 -0.04 0.00 -0.02 0.00 0.00 56.01 55.50 3kni n LEU 162 Cb 0.60 -1.15 -0.03 0.00 -1.62 0.00 0.00 43.42 41.22 3kni n LEU 162 CO 0.27 -3.48 0.25 0.00 -1.22 0.00 0.00 177.39 173.21 3kni n ALA 163 N -5.04 1.89 -1.42 -1.18 0.00 -1.24 -4.28 120.51 109.23 3kni n ALA 163 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3kni n ALA 163 Cb 0.56 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3kni n ALA 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kni n VAL 164 N -0.09 0.00 0.00 0.00 0.31 -1.26 -4.75 118.33 112.54 3kni n VAL 164 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3kni n VAL 164 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 3kni n VAL 164 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kni n SER 165 N 0.00 0.00 -4.78 4.52 7.64 -1.26 -4.97 113.62 114.77 3kni n SER 165 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 3kni n SER 165 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 3kni n SER 165 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3kni s PRO 166 N -0.49 4.45 0.00 1.43 0.02 -1.26 -5.08 135.00 134.07 3kni s PRO 166 Ca 0.00 1.47 0.00 0.00 0.02 0.00 0.00 61.00 62.49 3kni s PRO 166 Cb 0.00 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.74 3kni s PRO 166 CO 0.00 0.13 0.00 -1.91 -0.33 0.00 0.00 177.00 174.89 3kni n GLU 167 N 0.46 0.00 -1.79 5.54 0.00 -1.26 -4.69 120.64 118.90 3kni n GLU 167 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.76 3kni n GLU 167 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.90 3kni n GLU 167 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3kni s GLU 168 N 0.00 4.16 0.57 5.31 2.56 -1.26 -3.49 118.70 126.55 3kni s GLU 168 Ca 0.00 2.50 -0.21 0.00 0.00 0.00 0.00 54.97 57.26 3kni s GLU 168 Cb 0.00 -3.66 -0.04 0.00 2.00 0.00 0.00 34.13 32.43 3kni s GLU 168 CO 0.00 -0.82 1.31 0.95 -0.56 0.00 0.00 175.26 176.14 3kni s THR 169 N 2.91 2.22 0.00 -1.70 -4.23 -1.26 -3.21 115.64 110.36 3kni s THR 169 Ca 0.79 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 3kni s THR 169 Cb -0.43 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.34 3kni s THR 169 CO 0.35 -0.01 0.00 2.30 -0.54 0.00 0.00 174.62 176.72 3kni n ILE 170 N -1.25 0.00 -2.93 2.99 -5.35 -1.21 -4.70 119.36 106.92 3kni n ILE 170 Ca 0.12 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.64 3kni n ILE 170 Cb 0.46 -0.47 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3kni n ILE 170 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kni s ALA 171 N -1.80 -4.68 1.00 -1.28 0.00 -1.25 -2.81 121.76 110.93 3kni s ALA 171 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.43 3kni s ALA 171 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.13 3kni s ALA 171 CO 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 175.76 173.41 3kni n ALA 172 N 4.32 0.00 -3.18 0.00 0.00 -1.24 -4.62 120.51 115.78 3kni n ALA 172 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.56 3kni n ALA 172 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 3kni n ALA 172 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kni s VAL 173 N 0.00 -0.65 0.56 0.00 1.01 -1.26 -2.07 120.40 118.00 3kni s VAL 173 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3kni s VAL 173 Cb 0.00 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.45 3kni s VAL 173 CO 0.00 0.00 0.64 0.68 0.00 0.00 0.00 175.10 176.42 3kni s VAL 174 N 2.87 1.94 0.52 2.92 -7.23 -1.26 -3.90 120.40 116.25 3kni s VAL 174 Ca 0.08 -1.19 -0.18 0.00 -1.81 0.00 0.00 61.98 58.88 3kni s VAL 174 Cb -0.12 -2.13 -0.07 0.00 0.56 0.00 0.00 36.38 34.62 3kni s VAL 174 CO -0.16 0.00 1.01 -2.84 -0.31 0.00 0.00 175.10 172.81 3kni s PRO 175 N -4.52 3.77 0.00 4.82 0.02 -1.26 -4.12 135.00 133.71 3kni s PRO 175 Ca 0.51 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.69 3kni s PRO 175 Cb -0.04 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.38 3kni s PRO 175 CO 0.32 -0.43 0.00 -0.35 -0.33 0.00 0.00 177.00 176.21 3kni n PRO 176 N -1.40 0.34 0.00 5.54 -0.04 -1.25 -4.93 135.00 133.25 3kni n PRO 176 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3kni n PRO 176 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 3kni n PRO 176 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kni n GLU 177 N -0.55 0.00 0.00 0.54 1.02 -1.26 -5.12 120.64 115.26 3kni n GLU 177 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3kni n GLU 177 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3kni n GLU 177 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84