#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni s LYS 2 N 0.00 4.38 -0.15 2.12 -0.14 -1.26 -0.81 119.74 123.88 3kni s LYS 2 Ca 0.00 2.09 -0.20 0.00 -1.36 0.00 0.00 55.97 56.51 3kni s LYS 2 Cb 0.00 -3.17 0.05 0.00 -1.68 0.00 0.00 37.83 33.03 3kni s LYS 2 CO 0.00 -0.25 0.51 0.14 -0.76 0.00 0.00 175.35 174.99 3kni s VAL 3 N -0.06 0.01 -0.07 3.17 -7.23 -1.13 -3.36 120.40 111.73 3kni s VAL 3 Ca 0.56 -0.08 -0.21 0.00 -1.81 0.00 0.00 61.98 60.44 3kni s VAL 3 Cb -0.37 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 3kni s VAL 3 CO 0.40 -0.04 0.61 -0.63 -0.31 0.00 0.00 175.10 175.14 3kni s ILE 4 N -0.19 5.07 0.62 -0.62 1.01 -0.58 -3.63 121.20 122.87 3kni s ILE 4 Ca -0.04 1.26 -0.02 0.00 0.00 0.00 0.00 60.65 61.86 3kni s ILE 4 Cb -0.03 -3.95 0.05 0.00 0.01 0.00 0.00 42.46 38.54 3kni s ILE 4 CO 0.03 0.30 0.88 -0.76 0.00 0.00 0.00 174.94 175.39 3kni s LEU 5 N 0.59 3.09 0.00 2.97 1.02 -1.14 -0.59 118.68 124.62 3kni s LEU 5 Ca 0.33 0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.59 3kni s LEU 5 Cb -0.17 -2.85 0.00 0.00 0.02 0.00 0.00 46.19 43.19 3kni s LEU 5 CO 0.16 -1.38 0.00 0.18 0.02 0.00 0.00 176.35 175.33 3kni n LEU 6 N -2.59 0.00 -4.37 1.79 4.77 -1.24 -3.03 117.00 112.33 3kni n LEU 6 Ca 0.09 0.00 -0.58 0.00 -0.03 0.00 0.00 56.01 55.49 3kni n LEU 6 Cb 0.60 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 3kni n LEU 6 CO 0.47 0.00 1.68 -1.84 -1.33 0.00 0.00 177.39 176.37 3kni n GLU 7 N 0.00 0.36 -0.97 3.23 -0.00 -1.26 -2.48 120.64 119.53 3kni n GLU 7 Ca 0.00 0.10 -0.37 0.00 -0.00 0.00 0.00 57.16 56.89 3kni n GLU 7 Cb 0.00 -1.79 0.05 0.00 -0.00 0.00 0.00 31.44 29.69 3kni n GLU 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3kni n PRO 8 N 7.28 -0.13 -3.85 3.44 -0.04 -1.26 -4.85 135.00 135.59 3kni n PRO 8 Ca 0.48 -0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.78 3kni n PRO 8 Cb 0.04 -1.10 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 3kni n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kni s LEU 9 N 6.85 1.81 0.58 1.53 1.43 -1.16 -4.82 118.68 124.90 3kni s LEU 9 Ca 0.40 0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 53.36 3kni s LEU 9 Cb -0.05 0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.22 3kni s LEU 9 CO 0.73 -0.02 1.28 -0.70 0.23 0.00 0.00 176.35 177.87 3kni s GLU 10 N 0.12 3.00 0.00 1.70 2.12 -1.26 -1.51 118.70 122.87 3kni s GLU 10 Ca -0.01 2.03 0.00 0.00 0.36 0.00 0.00 54.97 57.35 3kni s GLU 10 Cb -0.01 -2.07 0.00 0.00 0.26 0.00 0.00 34.13 32.31 3kni s GLU 10 CO -0.00 -1.24 0.00 -1.71 -0.54 0.00 0.00 175.26 171.77 3kni n ASN 11 N -1.36 0.00 0.00 -1.70 2.85 -1.26 -4.91 115.26 108.88 3kni n ASN 11 Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 3kni n ASN 11 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 3kni n ASN 11 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kni n LEU 12 N 0.00 0.00 0.00 1.20 -0.00 -0.57 -5.19 117.00 112.44 3kni n LEU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3kni n LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3kni n LEU 12 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 3kni n GLY 13 N -0.49 0.42 0.21 1.47 0.00 -1.25 -2.96 105.19 102.59 3kni n GLY 13 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3kni n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kni n ASP 14 N 0.00 -0.40 -0.12 1.61 8.00 -1.26 -4.69 116.55 119.69 3kni n ASP 14 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 3kni n ASP 14 Cb 0.00 -0.20 -0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3kni n ASP 14 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3kni n VAL 15 N 2.19 0.00 0.00 2.53 0.24 -1.03 -1.44 118.33 120.81 3kni n VAL 15 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kni n VAL 15 Cb 0.00 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 3kni n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kni n GLY 16 N 0.09 2.77 3.17 7.63 0.00 -1.17 -5.00 105.19 112.69 3kni n GLY 16 Ca 0.01 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 3kni n GLY 16 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kni n GLN 17 N 0.00 0.03 -3.79 1.61 7.27 -0.52 -4.45 117.38 117.53 3kni n GLN 17 Ca 0.00 0.01 -0.28 0.00 0.07 0.00 0.00 57.00 56.81 3kni n GLN 17 Cb 0.00 -1.11 -0.16 0.00 2.41 0.00 0.00 30.24 31.38 3kni n GLN 17 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3kni s VAL 18 N -2.00 0.72 0.38 1.69 1.01 -1.26 -2.87 120.40 118.07 3kni s VAL 18 Ca 0.51 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.00 3kni s VAL 18 Cb -0.35 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.86 3kni s VAL 18 CO 0.72 -0.09 -0.01 0.54 0.00 0.00 0.00 175.10 176.26 3kni s VAL 19 N 1.78 2.20 0.09 2.92 0.11 -1.24 -4.96 120.40 121.30 3kni s VAL 19 Ca -0.01 -2.04 0.10 0.00 -2.93 0.00 0.00 61.98 57.10 3kni s VAL 19 Cb -0.16 -2.85 -0.03 0.00 -1.53 0.00 0.00 36.38 31.80 3kni s VAL 19 CO -0.07 -0.10 -0.25 1.51 -3.33 0.00 0.00 175.10 172.86 3kni s ASP 20 N -3.69 3.04 0.09 3.54 3.84 -1.26 -2.82 116.67 119.40 3kni s ASP 20 Ca 0.35 -0.66 -0.04 0.00 -0.00 0.00 0.00 52.55 52.20 3kni s ASP 20 Cb 0.05 -0.23 -0.03 0.00 -1.38 0.00 0.00 42.92 41.34 3kni s ASP 20 CO 0.18 0.18 0.08 0.68 -0.00 0.00 0.00 175.17 176.30 3kni s VAL 21 N -0.96 0.16 0.16 2.11 -7.23 0.01 -4.64 120.40 110.01 3kni s VAL 21 Ca 0.11 -1.60 -0.34 0.00 -1.81 0.00 0.00 61.98 58.35 3kni s VAL 21 Cb -0.10 -1.60 -0.15 0.00 0.56 0.00 0.00 36.38 35.09 3kni s VAL 21 CO 0.04 -0.72 1.32 2.29 -0.31 0.00 0.00 175.10 177.71 3kni n LYS 22 N -0.01 1.48 -0.25 4.82 0.00 -1.26 -1.69 118.16 121.25 3kni n LYS 22 Ca -0.12 0.53 -0.01 0.00 -0.00 0.00 0.00 58.31 58.71 3kni n LYS 22 Cb 0.62 -2.14 0.02 0.00 -0.00 0.00 0.00 35.03 33.53 3kni n LYS 22 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3kni n PRO 23 N 2.23 -0.17 0.00 -1.58 -0.02 -1.26 -1.99 135.00 132.21 3kni n PRO 23 Ca 0.15 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.63 3kni n PRO 23 Cb 0.25 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3kni n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kni n GLY 24 N -1.29 -2.88 0.18 -1.23 0.00 -1.26 -0.24 105.19 98.47 3kni n GLY 24 Ca 0.06 0.59 -0.04 0.00 0.00 0.00 0.00 46.02 46.62 3kni n GLY 24 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kni n TYR 25 N -0.76 -0.18 0.00 1.61 4.19 -0.84 -0.37 117.16 120.81 3kni n TYR 25 Ca 0.00 0.53 0.00 0.00 3.31 0.00 0.00 57.90 61.74 3kni n TYR 25 Cb 0.00 -0.54 0.00 0.00 0.49 0.00 0.00 39.34 39.29 3kni n TYR 25 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3kni n ALA 26 N -3.68 0.00 0.04 2.98 0.00 -0.68 -0.41 120.51 118.76 3kni n ALA 26 Ca 0.01 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.66 3kni n ALA 26 Cb 0.11 0.14 0.73 0.00 0.00 0.00 0.00 19.45 20.44 3kni n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kni h ARG 27 N 0.00 0.00 -0.00 0.00 3.08 0.18 -1.60 114.38 116.04 3kni h ARG 27 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kni h ARG 27 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kni h ARG 27 CO 0.00 0.00 -0.52 0.09 -1.07 0.00 0.00 179.97 178.47 3kni n ASN 28 N -3.90 0.77 0.05 7.04 5.03 0.51 -4.27 115.26 120.48 3kni n ASN 28 Ca 0.09 -0.88 0.00 0.00 0.87 0.00 0.00 54.58 54.66 3kni n ASN 28 Cb 0.66 0.89 0.00 0.00 -1.02 0.00 0.00 39.78 40.31 3kni n ASN 28 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kni n TYR 29 N -1.05 -0.20 0.11 3.10 9.36 0.45 -4.75 117.16 124.18 3kni n TYR 29 Ca 0.03 0.03 -0.10 0.00 3.32 0.00 0.00 57.90 61.18 3kni n TYR 29 Cb 0.21 0.05 -0.07 0.00 -0.63 0.00 0.00 39.34 38.91 3kni n TYR 29 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3kni h LEU 30 N 0.00 -0.30 -0.65 2.98 3.38 -1.04 -2.64 115.31 117.04 3kni h LEU 30 Ca 0.00 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3kni h LEU 30 Cb 0.16 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3kni h LEU 30 CO 0.00 0.19 0.21 -0.07 0.09 0.00 0.00 178.44 178.86 3kni h LEU 31 N -0.94 0.94 -0.24 1.67 4.07 -1.40 0.28 115.31 119.70 3kni h LEU 31 Ca -0.04 -0.20 -0.21 0.00 0.08 0.00 0.00 57.88 57.51 3kni h LEU 31 Cb 0.49 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 3kni h LEU 31 CO 0.06 0.89 -0.90 -0.65 -1.08 0.00 0.00 178.44 176.77 3kni h PRO 32 N 0.94 0.33 -0.97 1.13 0.11 -1.74 -3.14 132.00 128.66 3kni h PRO 32 Ca 0.21 -0.35 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 3kni h PRO 32 Cb 0.28 0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 3kni h PRO 32 CO -0.01 1.04 0.00 0.54 -0.21 0.00 0.00 178.00 179.36 3kni n ARG 33 N -3.72 1.32 -1.01 1.05 1.74 -1.00 -4.83 116.66 110.22 3kni n ARG 33 Ca -0.05 -0.27 -0.07 0.00 -0.77 0.00 0.00 57.85 56.69 3kni n ARG 33 Cb 0.81 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.69 3kni n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kni n GLY 34 N 0.07 0.64 0.00 -0.13 0.00 -1.04 -4.83 105.19 99.90 3kni n GLY 34 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3kni n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kni n LEU 35 N -1.01 0.06 -4.61 0.99 4.77 0.95 -4.90 117.00 113.23 3kni n LEU 35 Ca -0.07 0.86 -0.28 0.00 -0.03 0.00 0.00 56.01 56.49 3kni n LEU 35 Cb 0.34 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 3kni n LEU 35 CO 0.10 -0.40 -0.26 0.00 -1.33 0.00 0.00 177.39 175.50 3kni s ALA 36 N -2.85 3.27 0.29 -1.18 0.00 -1.17 -3.67 121.76 116.46 3kni s ALA 36 Ca 0.00 -1.43 0.06 0.00 0.00 0.00 0.00 51.96 50.59 3kni s ALA 36 Cb 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 23.12 23.39 3kni s ALA 36 CO 0.00 -0.16 -0.03 0.08 0.00 0.00 0.00 175.76 175.64 3kni s VAL 37 N -2.97 1.57 0.80 0.00 1.01 0.25 -3.71 120.40 117.33 3kni s VAL 37 Ca 0.24 -2.09 -0.15 0.00 0.00 0.00 0.00 61.98 59.97 3kni s VAL 37 Cb 0.06 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 3kni s VAL 37 CO 0.12 -0.23 0.59 0.18 0.00 0.00 0.00 175.10 175.76 3kni n LEU 38 N -0.62 1.07 -2.43 3.92 4.32 -1.26 -1.53 117.00 120.47 3kni n LEU 38 Ca -0.05 0.52 -0.34 0.00 -0.02 0.00 0.00 56.01 56.13 3kni n LEU 38 Cb 0.64 -1.26 0.05 0.00 -1.62 0.00 0.00 43.42 41.24 3kni n LEU 38 CO 0.41 -3.05 1.17 0.00 -1.22 0.00 0.00 177.39 174.70 3kni n ALA 39 N -2.83 6.07 -0.59 -1.18 0.00 -1.21 -4.03 120.51 116.73 3kni n ALA 39 Ca 0.10 -3.75 -0.28 0.00 0.00 0.00 0.00 53.44 49.51 3kni n ALA 39 Cb 0.51 -1.49 0.18 0.00 0.00 0.00 0.00 19.45 18.64 3kni n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kni n THR 40 N -0.76 0.00 -0.05 0.00 -2.24 -1.26 -4.83 114.28 105.14 3kni n THR 40 Ca 0.56 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 62.00 3kni n THR 40 Cb 0.61 -0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 68.16 3kni n THR 40 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3kni h GLU 41 N -2.38 0.34 0.00 -0.78 9.09 -1.99 -3.02 114.58 115.84 3kni h GLU 41 Ca -0.44 -0.22 0.00 0.00 0.05 0.00 0.00 59.36 58.75 3kni h GLU 41 Cb 1.19 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 3kni h GLU 41 CO 0.31 0.81 0.00 0.45 0.05 0.00 0.00 179.01 180.63 3kni n SER 42 N -4.51 0.00 -0.37 3.06 2.88 -1.26 -0.39 113.62 113.04 3kni n SER 42 Ca -0.07 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 3kni n SER 42 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 3kni n SER 42 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3kni n ASN 43 N -0.28 0.07 -0.03 -3.46 3.02 -1.26 -3.04 115.26 110.29 3kni n ASN 43 Ca 0.00 -0.19 -0.02 0.00 -0.03 0.00 0.00 54.58 54.34 3kni n ASN 43 Cb 0.00 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 3kni n ASN 43 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3kni n LEU 44 N 0.20 0.76 0.00 3.41 7.94 0.48 -3.35 117.00 126.44 3kni n LEU 44 Ca 0.00 0.40 0.03 0.00 -1.11 0.00 0.00 56.01 55.34 3kni n LEU 44 Cb 0.02 -0.65 0.16 0.00 0.53 0.00 0.00 43.42 43.48 3kni n LEU 44 CO 0.00 -0.49 0.58 0.29 -1.11 0.00 0.00 177.39 176.66 3kni n LYS 45 N -3.24 0.05 0.10 1.96 4.01 -1.15 -1.58 118.16 118.31 3kni n LYS 45 Ca -0.03 0.31 -0.19 0.00 -0.51 0.00 0.00 58.31 57.89 3kni n LYS 45 Cb 0.11 -1.50 -0.15 0.00 -0.51 0.00 0.00 35.03 32.99 3kni n LYS 45 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kni h ALA 46 N 2.29 0.08 0.00 7.82 0.00 -1.70 -3.11 119.26 124.64 3kni h ALA 46 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3kni h ALA 46 Cb 0.10 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kni h ALA 46 CO 0.00 0.95 0.00 1.25 0.00 0.00 0.00 179.25 181.45 3kni h LEU 47 N 0.09 0.00 -0.69 0.00 5.85 -1.29 0.31 115.31 119.58 3kni h LEU 47 Ca -0.21 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 3kni h LEU 47 Cb 2.05 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.05 3kni h LEU 47 CO 0.21 0.00 0.23 -0.33 -0.34 0.00 0.00 178.44 178.21 3kni h GLU 48 N 0.00 1.06 0.00 1.25 4.39 -1.53 -1.72 114.58 118.03 3kni h GLU 48 Ca 0.00 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.48 3kni h GLU 48 Cb 0.33 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3kni h GLU 48 CO 0.00 0.90 0.00 0.00 -1.16 0.00 0.00 179.01 178.75 3kni n ALA 49 N -2.42 0.00 0.32 3.43 0.00 0.11 -1.25 120.51 120.70 3kni n ALA 49 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.67 3kni n ALA 49 Cb 0.21 0.16 0.96 0.00 0.00 0.00 0.00 19.45 20.78 3kni n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kni h ARG 50 N 0.00 0.00 -0.02 0.00 3.08 -1.62 1.90 114.38 117.72 3kni h ARG 50 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3kni h ARG 50 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3kni h ARG 50 CO 0.00 0.00 -0.52 0.82 -1.07 0.00 0.00 179.97 179.20 3kni h ILE 51 N 0.00 1.37 0.00 2.04 1.08 -0.73 -3.22 117.51 118.05 3kni h ILE 51 Ca 0.01 -1.79 0.00 0.00 -0.39 0.00 0.00 64.86 62.69 3kni h ILE 51 Cb 0.43 1.94 0.00 0.00 -3.07 0.00 0.00 36.82 36.12 3kni h ILE 51 CO -0.00 0.52 -0.75 -2.11 -0.69 0.00 0.00 178.15 175.12 3kni n ARG 52 N -3.92 2.66 -0.15 2.37 1.85 0.60 -3.42 116.66 116.64 3kni n ARG 52 Ca -0.02 -0.02 0.03 0.00 -1.00 0.00 0.00 57.85 56.84 3kni n ARG 52 Cb 0.54 -0.93 0.10 0.00 -1.05 0.00 0.00 32.46 31.12 3kni n ARG 52 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kni n ALA 53 N -1.40 2.59 0.00 2.89 0.00 0.62 -1.49 120.51 123.71 3kni n ALA 53 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3kni n ALA 53 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3kni n ALA 53 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kni n GLN 54 N 0.14 0.00 0.14 0.00 7.27 -1.22 -4.50 117.38 119.22 3kni n GLN 54 Ca 0.07 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.18 3kni n GLN 54 Cb 0.28 -0.48 0.45 0.00 2.41 0.00 0.00 30.24 32.90 3kni n GLN 54 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kni h ALA 55 N 0.00 1.65 -0.51 1.69 0.00 -1.58 0.36 119.26 120.87 3kni h ALA 55 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kni h ALA 55 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kni h ALA 55 CO 0.00 0.26 0.00 0.36 0.00 0.00 0.00 179.25 179.87 3kni n LYS 56 N -4.35 2.59 -0.10 0.00 2.85 -0.56 -3.13 118.16 115.46 3kni n LYS 56 Ca -0.01 -2.43 -0.14 0.00 -1.05 0.00 0.00 58.31 54.68 3kni n LYS 56 Cb 0.21 -1.54 -0.09 0.00 -0.65 0.00 0.00 35.03 32.96 3kni n LYS 56 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3kni n ARG 57 N 1.56 0.51 0.10 -1.58 1.85 -0.42 -4.17 116.66 114.51 3kni n ARG 57 Ca 0.21 0.12 -0.01 0.00 -1.00 0.00 0.00 57.85 57.17 3kni n ARG 57 Cb 0.62 -1.40 0.27 0.00 -1.05 0.00 0.00 32.46 30.89 3kni n ARG 57 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 3kni h LEU 58 N -0.01 0.26 -1.09 2.89 5.85 -0.48 -1.11 115.31 121.62 3kni h LEU 58 Ca -0.45 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3kni h LEU 58 Cb 1.70 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.66 3kni h LEU 58 CO -0.07 0.57 0.00 0.00 -0.34 0.00 0.00 178.44 178.60 3kni h ALA 59 N 1.45 1.00 0.04 1.25 0.00 -1.73 -1.91 119.26 119.35 3kni h ALA 59 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kni h ALA 59 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3kni h ALA 59 CO 0.05 0.00 -0.02 1.49 0.00 0.00 0.00 179.25 180.77 3kni h GLU 60 N 0.00 -0.05 -0.47 0.00 4.57 -1.36 -0.00 114.58 117.27 3kni h GLU 60 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3kni h GLU 60 Cb 0.41 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 3kni h GLU 60 CO 0.00 0.62 0.22 0.00 -1.18 0.00 0.00 179.01 178.67 3kni h ARG 61 N -0.87 0.65 0.00 1.92 -0.00 -1.47 0.13 114.38 114.73 3kni h ARG 61 Ca -0.01 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.98 59.34 3kni h ARG 61 Cb 0.69 -0.13 -0.01 0.00 0.00 0.00 0.00 29.97 30.53 3kni h ARG 61 CO 0.01 0.52 -0.27 1.57 0.00 0.00 0.00 179.97 181.79 3kni h LYS 62 N 0.66 0.00 -0.50 0.04 2.10 -1.38 -2.97 116.57 114.52 3kni h LYS 62 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 3kni h LYS 62 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 3kni h LYS 62 CO -0.02 0.27 0.00 0.00 -2.00 0.00 0.00 179.45 177.70 3kni n ALA 63 N -2.21 2.42 -0.05 0.07 0.00 0.26 -2.88 120.51 118.11 3kni n ALA 63 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.43 3kni n ALA 63 Cb 0.51 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3kni n ALA 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kni n GLU 64 N 1.32 0.36 -0.07 0.00 -0.58 -0.14 -4.22 120.64 117.30 3kni n GLU 64 Ca 0.20 -0.39 -0.07 0.00 -0.42 0.00 0.00 57.16 56.49 3kni n GLU 64 Cb 0.55 -0.88 -0.02 0.00 -0.57 0.00 0.00 31.44 30.51 3kni n GLU 64 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kni n ALA 65 N -0.16 0.67 0.30 0.62 0.00 -1.13 -4.30 120.51 116.51 3kni n ALA 65 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 53.44 52.81 3kni n ALA 65 Cb 0.01 0.02 0.18 0.00 0.00 0.00 0.00 19.45 19.66 3kni n ALA 65 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3kni n GLU 66 N -4.12 0.03 -2.22 0.00 -0.00 -1.14 -1.76 120.64 111.43 3kni n GLU 66 Ca -0.11 0.32 -0.32 0.00 -0.00 0.00 0.00 57.16 57.06 3kni n GLU 66 Cb 0.40 -1.50 0.02 0.00 -0.00 0.00 0.00 31.44 30.36 3kni n GLU 66 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 3kni n ARG 67 N -1.44 3.16 0.00 3.44 -4.01 -1.26 -3.92 116.66 112.63 3kni n ARG 67 Ca 0.02 -4.09 0.00 0.00 -1.04 0.00 0.00 57.85 52.74 3kni n ARG 67 Cb 0.08 -2.26 0.00 0.00 -3.04 0.00 0.00 32.46 27.24 3kni n ARG 67 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 3kni n LEU 68 N -0.52 0.00 0.00 2.89 0.00 -0.72 -4.80 117.00 113.85 3kni n LEU 68 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.46 3kni n LEU 68 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.92 3kni n LEU 68 CO 0.41 0.00 -0.03 0.29 0.00 0.00 0.00 177.39 178.06 3kni n LYS 69 N 0.00 5.15 0.00 1.96 5.02 -0.98 -3.38 118.16 125.92 3kni n LYS 69 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3kni n LYS 69 Cb 0.00 -0.42 0.01 0.00 -0.02 0.00 0.00 35.03 34.60 3kni n LYS 69 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3kni n GLU 70 N -0.81 1.11 0.00 1.97 0.28 -1.26 -3.38 120.64 118.56 3kni n GLU 70 Ca 0.00 -0.66 0.00 0.00 -0.16 0.00 0.00 57.16 56.34 3kni n GLU 70 Cb 0.00 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 31.84 3kni n GLU 70 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 3kni n ILE 71 N -0.00 0.04 -2.14 3.84 -5.35 -1.26 -4.84 119.36 109.65 3kni n ILE 71 Ca 0.03 -0.30 -0.04 0.00 -0.27 0.00 0.00 62.75 62.16 3kni n ILE 71 Cb 0.14 1.38 -0.01 0.00 -1.74 0.00 0.00 39.64 39.41 3kni n ILE 71 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3kni n LEU 72 N -0.02 -0.94 0.00 7.28 -0.00 -1.22 -4.84 117.00 117.26 3kni n LEU 72 Ca 0.00 -2.01 0.00 0.00 -0.00 0.00 0.00 56.01 54.00 3kni n LEU 72 Cb 0.13 0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 3kni n LEU 72 CO 0.00 1.41 0.13 1.21 -0.00 0.00 0.00 177.39 180.14 3kni n GLU 73 N -0.40 2.08 0.00 1.96 2.13 -1.22 -4.60 120.64 120.60 3kni n GLU 73 Ca -0.20 -0.26 0.04 0.00 0.66 0.00 0.00 57.16 57.39 3kni n GLU 73 Cb 0.68 -0.74 0.02 0.00 0.27 0.00 0.00 31.44 31.67 3kni n GLU 73 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3kni n ASN 74 N -0.37 1.36 -4.82 4.31 0.23 -1.26 -4.70 115.26 110.01 3kni n ASN 74 Ca 0.00 -1.18 -0.37 0.00 -0.53 0.00 0.00 54.58 52.50 3kni n ASN 74 Cb 0.02 0.21 -0.06 0.00 -2.08 0.00 0.00 39.78 37.87 3kni n ASN 74 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3kni s LEU 75 N -1.00 4.41 -0.01 -4.53 1.02 -1.26 -5.00 118.68 112.30 3kni s LEU 75 Ca 0.08 0.77 0.13 0.00 0.02 0.00 0.00 54.13 55.13 3kni s LEU 75 Cb 0.06 -2.45 -0.18 0.00 0.02 0.00 0.00 46.19 43.64 3kni s LEU 75 CO 0.14 0.29 0.40 0.35 0.02 0.00 0.00 176.35 177.54 3kni n THR 76 N 2.27 0.00 -1.39 5.49 -2.24 -1.26 -4.43 114.28 112.71 3kni n THR 76 Ca -0.14 -0.26 0.18 0.00 -2.27 0.00 0.00 64.05 61.55 3kni n THR 76 Cb 0.53 0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 3kni n THR 76 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kni n LEU 77 N -1.70 -0.82 -3.60 3.22 0.00 -1.26 -3.27 117.00 109.57 3kni n LEU 77 Ca -0.00 1.87 -0.13 0.00 0.00 0.00 0.00 56.01 57.74 3kni n LEU 77 Cb 0.29 -4.44 -0.12 0.00 0.00 0.00 0.00 43.42 39.15 3kni n LEU 77 CO 0.28 -3.02 -0.11 -0.89 0.00 0.00 0.00 177.39 173.65 3kni s THR 78 N -3.07 -0.47 -0.09 1.96 2.01 -1.26 -3.80 115.64 110.92 3kni s THR 78 Ca 0.00 0.16 -0.18 0.00 0.31 0.00 0.00 61.69 61.98 3kni s THR 78 Cb 0.00 -0.56 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 3kni s THR 78 CO 0.00 0.03 0.47 -0.63 -0.69 0.00 0.00 174.62 173.80 3kni s ILE 79 N 2.46 5.14 -1.55 1.82 -1.09 0.30 -4.98 121.20 123.30 3kni s ILE 79 Ca 0.03 0.95 -0.11 0.00 -2.23 0.00 0.00 60.65 59.29 3kni s ILE 79 Cb -0.13 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 3kni s ILE 79 CO -0.11 0.37 2.70 -0.81 -1.23 0.00 0.00 174.94 175.87 3kni n PRO 80 N 3.33 3.54 -2.40 2.79 -0.04 -1.26 -1.64 135.00 139.32 3kni n PRO 80 Ca -0.08 -2.43 -0.27 0.00 -0.04 0.00 0.00 63.50 60.68 3kni n PRO 80 Cb 0.52 -2.92 0.02 0.00 -0.04 0.00 0.00 33.50 31.08 3kni n PRO 80 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kni s VAL 81 N 2.17 4.02 -0.02 0.52 1.01 -1.24 -4.87 120.40 121.99 3kni s VAL 81 Ca 0.62 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.75 3kni s VAL 81 Cb 0.17 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 3kni s VAL 81 CO -0.07 -0.61 -0.08 -0.60 0.00 0.00 0.00 175.10 173.74 3kni s ARG 82 N -4.96 0.79 0.00 2.72 3.52 -1.26 -3.02 118.95 116.74 3kni s ARG 82 Ca 0.53 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.83 3kni s ARG 82 Cb -0.11 -0.76 0.00 0.00 -1.56 0.00 0.00 34.95 32.53 3kni s ARG 82 CO 0.46 0.15 0.00 0.00 -0.81 0.00 0.00 175.30 175.09 3kni n ALA 83 N 3.08 0.00 0.00 6.12 0.00 -1.26 -4.50 120.51 123.94 3kni n ALA 83 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3kni n ALA 83 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3kni n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kni n GLY 84 N 0.00 -0.59 6.49 0.00 0.00 -1.26 -5.03 105.19 104.80 3kni n GLY 84 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3kni n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kni n GLU 85 N 0.00 0.00 0.00 1.61 -0.58 -1.26 -4.81 120.64 115.60 3kni n GLU 85 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3kni n GLU 85 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3kni n GLU 85 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3kni n THR 86 N 0.00 0.00 -0.76 2.62 -2.24 -1.26 -4.49 114.28 108.16 3kni n THR 86 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 3kni n THR 86 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 3kni n THR 86 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3kni n LYS 87 N 0.00 0.00 0.00 -0.78 0.00 -1.26 -4.38 118.16 111.74 3kni n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3kni n LYS 87 Cb 0.00 -0.68 0.00 0.00 -0.00 0.00 0.00 35.03 34.35 3kni n LYS 87 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3kni n ILE 88 N -1.42 0.00 -1.82 0.58 2.08 -1.26 -4.34 119.36 113.18 3kni n ILE 88 Ca 0.02 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.29 3kni n ILE 88 Cb 0.36 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.21 3kni n ILE 88 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 3kni n TYR 89 N 0.00 0.00 -2.71 1.39 4.02 -1.26 -4.99 117.16 113.61 3kni n TYR 89 Ca 0.00 -0.28 -0.07 0.00 -0.01 0.00 0.00 57.90 57.53 3kni n TYR 89 Cb 0.00 0.39 0.11 0.00 -0.02 0.00 0.00 39.34 39.82 3kni n TYR 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kni n GLY 90 N 0.00 1.09 0.00 2.72 0.00 -1.26 -5.08 105.19 102.66 3kni n GLY 90 Ca -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3kni n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kni n SER 91 N -0.33 0.00 0.00 1.61 3.41 -1.26 -4.72 113.62 112.33 3kni n SER 91 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3kni n SER 91 Cb 0.81 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 3kni n SER 91 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3kni n VAL 92 N 0.00 0.00 -1.10 -3.33 3.14 -1.26 -3.16 118.33 112.63 3kni n VAL 92 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 3kni n VAL 92 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 3kni n VAL 92 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3kni n THR 93 N 0.00 1.45 0.00 1.55 -2.24 -1.26 -4.32 114.28 109.46 3kni n THR 93 Ca 0.00 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3kni n THR 93 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3kni n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kni n ALA 94 N -0.10 0.00 -0.22 6.98 0.00 -1.26 0.09 120.51 126.00 3kni n ALA 94 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.59 3kni n ALA 94 Cb 0.21 0.03 0.05 0.00 0.00 0.00 0.00 19.45 19.74 3kni n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3kni n LYS 95 N -1.23 -0.09 -0.18 0.00 -0.00 -1.26 0.17 118.16 115.56 3kni n LYS 95 Ca 0.00 0.90 -0.12 0.00 -0.00 0.00 0.00 58.31 59.09 3kni n LYS 95 Cb 0.00 -1.34 -0.08 0.00 -0.00 0.00 0.00 35.03 33.60 3kni n LYS 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3kni h ASP 96 N 0.00 -1.79 -0.88 -5.58 3.45 -0.60 1.06 116.42 112.08 3kni h ASP 96 Ca 0.24 0.25 0.20 0.00 0.43 0.00 0.00 57.03 58.15 3kni h ASP 96 Cb 0.39 0.76 -0.12 0.00 -0.56 0.00 0.00 39.33 39.80 3kni h ASP 96 CO -0.59 -0.37 0.40 0.40 -1.57 0.00 0.00 179.24 177.50 3kni h ILE 97 N -0.32 0.54 -0.56 0.35 2.04 0.18 -0.11 117.51 119.62 3kni h ILE 97 Ca 0.11 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3kni h ILE 97 Cb 0.57 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3kni h ILE 97 CO -0.65 0.08 0.16 0.00 0.00 0.00 0.00 178.15 177.75 3kni h ALA 98 N 1.66 0.74 0.00 1.87 0.00 0.15 -0.50 119.26 123.18 3kni h ALA 98 Ca 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3kni h ALA 98 Cb 0.94 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kni h ALA 98 CO -0.48 0.41 0.00 0.39 0.00 0.00 0.00 179.25 179.57 3kni n GLU 99 N -4.42 0.06 -1.23 0.00 1.02 0.27 0.23 120.64 116.57 3kni n GLU 99 Ca 0.03 0.34 -0.20 0.00 -0.02 0.00 0.00 57.16 57.31 3kni n GLU 99 Cb 0.21 -1.62 0.14 0.00 -0.02 0.00 0.00 31.44 30.15 3kni n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kni n ALA 100 N -1.59 5.26 0.18 0.62 0.00 -0.23 -3.82 120.51 120.93 3kni n ALA 100 Ca 0.03 -3.27 0.00 0.00 0.00 0.00 0.00 53.44 50.20 3kni n ALA 100 Cb 0.16 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3kni n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kni n LEU 101 N -1.02 -3.20 -0.16 0.00 7.94 0.48 -4.54 117.00 116.50 3kni n LEU 101 Ca 0.49 0.77 0.19 0.00 -1.11 0.00 0.00 56.01 56.35 3kni n LEU 101 Cb 1.10 3.08 0.57 0.00 0.53 0.00 0.00 43.42 48.70 3kni n LEU 101 CO 0.48 0.20 1.22 0.28 -1.11 0.00 0.00 177.39 178.45 3kni h SER 102 N 0.00 0.26 0.00 1.96 0.02 0.32 2.02 113.55 118.14 3kni h SER 102 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3kni h SER 102 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3kni h SER 102 CO 0.00 0.12 -1.00 0.54 -1.14 0.00 0.00 176.83 175.36 3kni n ARG 103 N -4.44 1.03 0.00 3.45 3.00 -1.25 -2.81 116.66 115.65 3kni n ARG 103 Ca 0.16 -0.03 0.13 0.00 -0.01 0.00 0.00 57.85 58.10 3kni n ARG 103 Cb 0.66 -1.01 0.38 0.00 0.00 0.00 0.00 32.46 32.49 3kni n ARG 103 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3kni n GLN 104 N -1.53 0.17 0.00 5.56 7.27 -1.11 -4.51 117.38 123.22 3kni n GLN 104 Ca -0.00 -0.08 0.00 0.00 0.07 0.00 0.00 57.00 56.99 3kni n GLN 104 Cb 0.08 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.24 3kni n GLN 104 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3kni n HIS 105 N -1.35 0.00 0.00 3.69 8.25 -0.42 -4.83 115.22 120.57 3kni n HIS 105 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3kni n HIS 105 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 3kni n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kni n GLY 106 N 0.01 0.75 2.94 -1.41 0.00 0.67 -5.01 105.19 103.15 3kni n GLY 106 Ca 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 3kni n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kni s VAL 107 N -1.20 -0.66 0.20 1.61 1.01 -0.76 -4.87 120.40 115.72 3kni s VAL 107 Ca 0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 61.98 61.55 3kni s VAL 107 Cb 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 36.38 35.39 3kni s VAL 107 CO 0.00 -0.14 1.74 0.41 0.00 0.00 0.00 175.10 177.11 3kni n THR 108 N 5.37 0.05 -4.14 3.92 -1.04 -1.26 -2.56 114.28 114.62 3kni n THR 108 Ca -0.02 -0.01 -0.29 0.00 -2.04 0.00 0.00 64.05 61.69 3kni n THR 108 Cb 0.50 -2.00 -0.08 0.00 -1.82 0.00 0.00 70.33 66.93 3kni n THR 108 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3kni s ILE 109 N 1.40 3.98 -0.87 12.58 1.09 -1.26 -4.99 121.20 133.13 3kni s ILE 109 Ca 0.76 -1.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.20 3kni s ILE 109 Cb -0.50 -2.94 0.26 0.00 -1.06 0.00 0.00 42.46 38.22 3kni s ILE 109 CO 0.33 0.04 1.00 -0.67 -0.10 0.00 0.00 174.94 175.54 3kni n ASP 110 N 0.30 4.78 -2.70 3.58 2.03 -1.26 -4.99 116.55 118.30 3kni n ASP 110 Ca -0.10 -3.34 0.00 0.00 0.52 0.00 0.00 54.79 51.87 3kni n ASP 110 Cb 0.53 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 3kni n ASP 110 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3kni n PRO 111 N 1.45 0.00 0.00 -0.67 -0.04 -1.26 -3.51 135.00 130.97 3kni n PRO 111 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 3kni n PRO 111 Cb 0.37 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 33.19 3kni n PRO 111 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3kni n LYS 112 N 1.44 0.00 -0.93 0.54 4.01 -1.26 -4.70 118.16 117.26 3kni n LYS 112 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 3kni n LYS 112 Cb 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 34.39 3kni n LYS 112 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 3kni n ARG 113 N -2.35 2.03 0.00 1.97 1.85 -1.23 -3.97 116.66 114.96 3kni n ARG 113 Ca 0.00 -1.08 0.09 0.00 -1.00 0.00 0.00 57.85 55.86 3kni n ARG 113 Cb 0.00 -2.07 -0.01 0.00 -1.05 0.00 0.00 32.46 29.33 3kni n ARG 113 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3kni n LEU 114 N 2.76 1.65 0.00 2.89 4.32 -1.26 -3.12 117.00 124.23 3kni n LEU 114 Ca 0.44 -0.74 0.00 0.00 -0.02 0.00 0.00 56.01 55.68 3kni n LEU 114 Cb 0.71 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.51 3kni n LEU 114 CO 0.25 0.32 0.00 0.00 -1.22 0.00 0.00 177.39 176.74 3kni n ALA 115 N -0.20 0.00 -2.17 -1.18 0.00 -1.25 -1.74 120.51 113.97 3kni n ALA 115 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.11 3kni n ALA 115 Cb 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 3kni n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3kni s LEU 116 N 0.00 4.53 0.00 0.00 2.96 -1.26 -4.66 118.68 120.25 3kni s LEU 116 Ca 0.00 1.73 0.00 0.00 -0.22 0.00 0.00 54.13 55.64 3kni s LEU 116 Cb 0.00 -3.48 0.00 0.00 0.50 0.00 0.00 46.19 43.21 3kni s LEU 116 CO 0.00 0.03 0.00 -1.84 -1.32 0.00 0.00 176.35 173.22 3kni n GLU 117 N 2.41 0.00 -2.63 1.98 0.28 -1.26 -5.00 120.64 116.41 3kni n GLU 117 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.57 3kni n GLU 117 Cb 0.49 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.33 3kni n GLU 117 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 3kni s LYS 118 N 1.98 4.46 0.05 3.44 -2.85 -1.26 -4.94 119.74 120.61 3kni s LYS 118 Ca 0.00 1.48 -0.15 0.00 -1.00 0.00 0.00 55.97 56.30 3kni s LYS 118 Cb 0.00 -3.50 -0.08 0.00 -2.06 0.00 0.00 37.83 32.19 3kni s LYS 118 CO 0.00 -0.25 0.35 -0.35 0.10 0.00 0.00 175.35 175.20 3kni n PRO 119 N 4.58 0.00 0.00 1.78 -0.04 -1.26 -4.94 135.00 135.12 3kni n PRO 119 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3kni n PRO 119 Cb 0.49 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 33.40 3kni n PRO 119 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3kni n ILE 120 N 0.33 0.00 -1.09 0.52 5.41 -1.26 -4.92 119.36 118.35 3kni n ILE 120 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 3kni n ILE 120 Cb 0.07 -0.68 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 3kni n ILE 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3kni n LYS 121 N 0.00 0.00 0.00 0.38 3.00 -1.19 -4.80 118.16 115.55 3kni n LYS 121 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 3kni n LYS 121 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 35.03 33.94 3kni n LYS 121 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3kni n GLU 122 N -0.81 0.00 -2.59 1.64 0.00 -1.26 -4.25 120.64 113.37 3kni n GLU 122 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.81 3kni n GLU 122 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.76 3kni n GLU 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3kni s LEU 123 N 0.00 3.95 0.00 4.31 1.43 -1.26 -4.94 118.68 122.17 3kni s LEU 123 Ca 0.00 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 3kni s LEU 123 Cb 0.00 -4.44 0.00 0.00 0.03 0.00 0.00 46.19 41.78 3kni s LEU 123 CO 0.00 -0.63 0.00 0.61 0.23 0.00 0.00 176.35 176.56 3kni n GLY 124 N -0.12 0.53 3.25 -3.19 0.00 -1.11 -5.02 105.19 99.53 3kni n GLY 124 Ca 0.08 -1.62 -0.22 0.00 0.00 0.00 0.00 46.02 44.25 3kni n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kni s GLU 125 N -2.00 1.04 0.31 1.61 0.41 -1.26 0.93 118.70 119.75 3kni s GLU 125 Ca 0.00 -1.12 0.06 0.00 -0.41 0.00 0.00 54.97 53.50 3kni s GLU 125 Cb 0.00 -1.21 -0.03 0.00 -1.78 0.00 0.00 34.13 31.11 3kni s GLU 125 CO 0.00 0.28 0.25 0.71 -0.49 0.00 0.00 175.26 176.00 3kni s TYR 126 N -1.28 1.67 0.03 1.61 1.51 0.15 -4.96 117.35 116.09 3kni s TYR 126 Ca 0.05 -1.61 0.02 0.00 -1.01 0.00 0.00 57.07 54.51 3kni s TYR 126 Cb -0.10 -0.71 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 3kni s TYR 126 CO 0.04 -0.81 -0.06 0.08 -1.11 0.00 0.00 175.55 173.69 3kni s VAL 127 N -3.54 0.40 0.00 0.71 1.01 -1.26 -0.48 120.40 117.24 3kni s VAL 127 Ca 0.40 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3kni s VAL 127 Cb 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.96 3kni s VAL 127 CO 0.25 -0.29 0.00 0.18 0.00 0.00 0.00 175.10 175.24 3kni n LEU 128 N 1.86 0.00 0.00 3.92 4.77 -1.12 -4.92 117.00 121.50 3kni n LEU 128 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3kni n LEU 128 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3kni n LEU 128 CO 0.22 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.63 3kni n THR 129 N 0.00 0.00 -1.75 -5.08 -2.24 -0.71 -3.05 114.28 101.46 3kni n THR 129 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3kni n THR 129 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3kni n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kni n TYR 130 N 0.00 0.00 -0.74 4.78 9.36 -1.25 -3.96 117.16 125.35 3kni n TYR 130 Ca 0.00 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.27 3kni n TYR 130 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.69 3kni n TYR 130 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 3kni n LYS 131 N -0.27 -0.81 -0.08 2.98 3.00 -1.18 -4.29 118.16 117.51 3kni n LYS 131 Ca 0.00 0.62 -0.16 0.00 -0.00 0.00 0.00 58.31 58.78 3kni n LYS 131 Cb 0.00 -1.34 -0.14 0.00 0.00 0.00 0.00 35.03 33.55 3kni n LYS 131 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3kni n PRO 132 N -2.78 0.68 0.00 1.64 -0.02 -1.26 -4.78 135.00 128.47 3kni n PRO 132 Ca -0.01 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3kni n PRO 132 Cb 0.45 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3kni n PRO 132 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3kni n HIS 133 N -3.15 0.00 -1.25 6.00 1.44 -1.26 -4.89 115.22 112.11 3kni n HIS 133 Ca -0.36 0.00 -0.52 0.00 -2.01 0.00 0.00 57.72 54.82 3kni n HIS 133 Cb 1.05 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 31.04 3kni n HIS 133 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 3kni n PRO 134 N 0.00 0.00 0.00 -1.40 -0.02 -1.26 -4.85 135.00 127.47 3kni n PRO 134 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kni n PRO 134 Cb 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3kni n PRO 134 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kni n GLU 135 N 7.39 2.54 0.00 -0.52 -0.58 -1.26 -4.73 120.64 123.48 3kni n GLU 135 Ca 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 3kni n GLU 135 Cb -0.02 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.85 3kni n GLU 135 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 3kni n VAL 136 N 0.00 0.00 -1.93 2.62 3.14 -1.26 -4.85 118.33 116.05 3kni n VAL 136 Ca 0.00 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.14 3kni n VAL 136 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 3kni n VAL 136 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3kni s PRO 137 N 0.00 2.27 -0.26 1.45 0.02 -1.26 -4.13 135.00 133.09 3kni s PRO 137 Ca 0.00 -0.33 -0.11 0.00 0.02 0.00 0.00 61.00 60.58 3kni s PRO 137 Cb 0.00 -5.04 -0.05 0.00 0.02 0.00 0.00 34.50 29.43 3kni s PRO 137 CO 0.00 -3.84 0.17 0.96 -0.33 0.00 0.00 177.00 173.95 3kni s ILE 138 N 11.62 5.30 0.00 2.83 -4.36 -1.17 -4.71 121.20 130.71 3kni s ILE 138 Ca 0.75 0.16 0.00 0.00 -0.26 0.00 0.00 60.65 61.30 3kni s ILE 138 Cb -0.07 -3.49 0.00 0.00 1.25 0.00 0.00 42.46 40.15 3kni s ILE 138 CO 0.05 0.31 0.00 0.00 0.24 0.00 0.00 174.94 175.54 3kni n GLN 139 N 4.60 -0.85 0.00 0.37 -0.00 -1.26 -2.81 117.38 117.44 3kni n GLN 139 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.85 3kni n GLN 139 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.76 3kni n GLN 139 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3kni n LEU 140 N 0.00 0.00 -4.66 2.61 7.94 0.37 -4.78 117.00 118.48 3kni n LEU 140 Ca 0.00 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.53 3kni n LEU 140 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 3kni n LEU 140 CO 0.00 0.00 -0.04 -1.59 -1.11 0.00 0.00 177.39 174.65 3kni s LYS 141 N 0.00 4.12 -0.35 1.96 -2.85 -1.20 0.35 119.74 121.76 3kni s LYS 141 Ca 0.00 -0.04 -0.17 0.00 -1.00 0.00 0.00 55.97 54.75 3kni s LYS 141 Cb 0.00 -3.54 -0.00 0.00 -2.06 0.00 0.00 37.83 32.23 3kni s LYS 141 CO 0.00 0.01 0.47 0.08 0.10 0.00 0.00 175.35 176.01 3kni s VAL 142 N 1.19 5.06 0.00 1.79 1.01 0.27 -0.54 120.40 129.18 3kni s VAL 142 Ca 0.13 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3kni s VAL 142 Cb -0.14 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3kni s VAL 142 CO 0.06 -0.20 0.00 -1.20 0.00 0.00 0.00 175.10 173.76 3kni n SER 143 N 5.64 0.58 0.00 3.32 7.64 -0.65 -2.74 113.62 127.41 3kni n SER 143 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 3kni n SER 143 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 3kni n SER 143 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3kni n VAL 144 N 0.00 0.00 -4.74 0.44 0.24 -1.23 -3.63 118.33 109.41 3kni n VAL 144 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kni n VAL 144 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3kni n VAL 144 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3kni n VAL 145 N 0.00 0.00 0.00 3.34 0.31 -1.17 -4.02 118.33 116.79 3kni n VAL 145 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kni n VAL 145 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kni n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51