#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni n LEU 3 N 0.00 0.02 -3.66 2.45 7.94 -1.26 -4.64 117.00 117.85 3kni n LEU 3 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 3kni n LEU 3 Cb 0.00 -0.34 -0.08 0.00 0.53 0.00 0.00 43.42 43.53 3kni n LEU 3 CO 0.00 -0.01 0.27 1.51 -1.11 0.00 0.00 177.39 178.05 3kni s ASP 4 N -1.30 -0.83 0.18 1.96 -4.77 -1.26 -5.14 116.67 105.50 3kni s ASP 4 Ca 0.00 1.35 -0.11 0.00 -3.30 0.00 0.00 52.55 50.49 3kni s ASP 4 Cb 0.00 1.22 0.00 0.00 -1.09 0.00 0.00 42.92 43.05 3kni s ASP 4 CO 0.00 -0.23 0.35 0.68 0.70 0.00 0.00 175.17 176.68 3kni s VAL 5 N 1.56 0.05 0.01 2.11 -7.23 -1.26 -5.08 120.40 110.56 3kni s VAL 5 Ca -0.10 -1.24 -0.02 0.00 -1.81 0.00 0.00 61.98 58.81 3kni s VAL 5 Cb -0.06 -1.80 -0.00 0.00 0.56 0.00 0.00 36.38 35.07 3kni s VAL 5 CO -0.18 -0.23 1.03 0.00 -0.31 0.00 0.00 175.10 175.40 3kni n ALA 6 N -0.26 -0.05 0.70 1.32 0.00 -1.26 -2.39 120.51 118.58 3kni n ALA 6 Ca -0.08 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.51 3kni n ALA 6 Cb 0.63 0.45 0.41 0.00 0.00 0.00 0.00 19.45 20.94 3kni n ALA 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kni n LEU 7 N -3.15 0.00 0.15 0.00 4.77 -1.26 0.22 117.00 117.74 3kni n LEU 7 Ca 0.00 0.44 0.05 0.00 -0.03 0.00 0.00 56.01 56.48 3kni n LEU 7 Cb 0.02 -0.44 0.06 0.00 -2.33 0.00 0.00 43.42 40.72 3kni n LEU 7 CO -0.01 -0.17 0.50 0.50 -1.33 0.00 0.00 177.39 176.88 3kni h LYS 8 N 0.00 0.00 0.00 3.23 3.64 -1.88 -0.67 116.57 120.89 3kni h LYS 8 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kni h LYS 8 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3kni h LYS 8 CO 0.00 0.32 -0.01 0.00 -2.27 0.00 0.00 179.45 177.49 3kni h ARG 9 N 0.00 0.00 -1.25 1.90 3.08 -0.88 -2.16 114.38 115.08 3kni h ARG 9 Ca -0.01 0.00 0.36 0.00 0.07 0.00 0.00 59.98 60.40 3kni h ARG 9 Cb 1.27 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.27 3kni h ARG 9 CO 0.04 0.00 1.20 -0.22 -1.07 0.00 0.00 179.97 179.93 3kni h LYS 10 N -0.44 0.00 0.00 0.04 1.63 -0.29 0.63 116.57 118.13 3kni h LYS 10 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3kni h LYS 10 Cb 0.01 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.64 3kni h LYS 10 CO 0.00 0.00 -0.09 -0.92 -3.45 0.00 0.00 179.45 174.99 3kni h TYR 11 N 0.00 0.00 -0.19 1.91 3.20 -1.16 0.69 116.97 121.42 3kni h TYR 11 Ca 0.59 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 62.30 3kni h TYR 11 Cb 2.99 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 41.26 3kni h TYR 11 CO 0.00 0.47 -0.57 1.88 -1.64 0.00 0.00 178.16 178.30 3kni h TYR 12 N -1.00 0.74 -0.97 -3.82 0.99 0.54 3.04 116.97 116.49 3kni h TYR 12 Ca -0.02 -0.27 -0.66 0.00 2.00 0.00 0.00 58.73 59.78 3kni h TYR 12 Cb 0.49 -0.14 -0.31 0.00 1.00 0.00 0.00 36.73 37.77 3kni h TYR 12 CO 0.10 1.01 0.65 -0.85 -0.00 0.00 0.00 178.16 179.07 3kni n GLU 13 N -3.95 2.82 0.00 4.88 0.28 0.17 -4.27 120.64 120.56 3kni n GLU 13 Ca -0.03 -3.41 0.00 0.00 -0.16 0.00 0.00 57.16 53.56 3kni n GLU 13 Cb 0.62 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 31.20 3kni n GLU 13 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3kni n GLU 14 N -0.89 0.00 0.03 3.44 2.13 -1.23 -4.85 120.64 119.27 3kni n GLU 14 Ca 0.60 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 58.23 3kni n GLU 14 Cb 0.70 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.30 3kni n GLU 14 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3kni h VAL 15 N 0.00 1.31 0.00 6.31 2.07 -0.49 -3.10 116.25 122.35 3kni h VAL 15 Ca 0.00 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.31 3kni h VAL 15 Cb 0.00 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3kni h VAL 15 CO 0.00 0.68 0.00 0.54 0.02 0.00 0.00 177.57 178.81 3kni n ARG 16 N -3.94 0.00 -0.33 1.57 5.12 1.01 -3.55 116.66 116.55 3kni n ARG 16 Ca -0.11 0.47 -0.05 0.00 -1.93 0.00 0.00 57.85 56.23 3kni n ARG 16 Cb 0.84 -1.44 -0.02 0.00 -1.16 0.00 0.00 32.46 30.68 3kni n ARG 16 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3kni n PRO 17 N -1.92 -0.28 -0.24 5.56 -0.04 -1.26 -1.60 135.00 135.23 3kni n PRO 17 Ca 0.00 1.26 0.03 0.00 -0.04 0.00 0.00 63.50 64.75 3kni n PRO 17 Cb 0.00 -1.86 0.12 0.00 -0.04 0.00 0.00 33.50 31.71 3kni n PRO 17 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3kni h GLU 18 N 0.00 0.06 -0.93 0.54 4.57 -1.64 -1.60 114.58 115.58 3kni h GLU 18 Ca 0.21 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.45 3kni h GLU 18 Cb 0.42 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.93 3kni h GLU 18 CO -0.80 0.04 0.60 -0.07 -1.18 0.00 0.00 179.01 177.60 3kni h LEU 19 N 0.06 0.95 -1.84 1.64 3.38 -1.35 0.98 115.31 119.14 3kni h LEU 19 Ca 0.37 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 3kni h LEU 19 Cb 0.61 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3kni h LEU 19 CO -0.67 0.61 -0.14 0.40 0.09 0.00 0.00 178.44 178.73 3kni h ILE 20 N 1.07 0.78 0.06 1.22 2.04 -1.29 -2.12 117.51 119.28 3kni h ILE 20 Ca 0.40 -0.55 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 3kni h ILE 20 Cb 0.17 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3kni h ILE 20 CO -0.15 0.14 -0.59 -0.09 0.00 0.00 0.00 178.15 177.46 3kni h ARG 21 N 0.00 0.13 -0.01 2.37 1.12 -1.02 -3.21 114.38 113.76 3kni h ARG 21 Ca -0.00 -0.22 -0.00 0.00 -1.11 0.00 0.00 59.98 58.65 3kni h ARG 21 Cb 0.32 0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.36 3kni h ARG 21 CO 0.02 1.11 0.01 0.00 -3.11 0.00 0.00 179.97 177.99 3kni h ARG 22 N -0.70 0.02 0.02 0.20 3.08 -0.56 -3.39 114.38 113.05 3kni h ARG 22 Ca -0.13 -0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.53 3kni h ARG 22 Cb 1.35 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.33 3kni h ARG 22 CO 0.03 0.06 -2.34 1.19 -1.07 0.00 0.00 179.97 177.84 3kni n PHE 23 N -5.06 0.30 0.00 3.04 3.01 -0.82 -5.04 117.46 112.88 3kni n PHE 23 Ca -0.07 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3kni n PHE 23 Cb 0.05 -1.04 0.00 0.00 -0.01 0.00 0.00 39.48 38.48 3kni n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kni n GLY 24 N 2.02 1.96 3.25 1.37 0.00 -1.21 -5.11 105.19 107.46 3kni n GLY 24 Ca -0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 3kni n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kni n TYR 25 N -0.12 -3.09 0.00 1.61 4.01 -1.26 -5.03 117.16 113.29 3kni n TYR 25 Ca 0.00 -0.57 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 3kni n TYR 25 Cb 0.00 -1.42 0.00 0.00 -0.31 0.00 0.00 39.34 37.61 3kni n TYR 25 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kni n GLN 26 N -5.11 0.00 0.00 -0.72 0.00 -1.26 -5.00 117.38 105.29 3kni n GLN 26 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.10 3kni n GLN 26 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.80 3kni n GLN 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3kni n ASN 27 N -0.17 0.00 0.00 2.61 3.02 -1.26 -4.81 115.26 114.65 3kni n ASN 27 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3kni n ASN 27 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3kni n ASN 27 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3kni n VAL 28 N 0.44 0.00 1.90 2.41 0.31 -1.26 -3.57 118.33 118.57 3kni n VAL 28 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 3kni n VAL 28 Cb 0.00 0.00 0.47 0.00 -0.91 0.00 0.00 33.84 33.40 3kni n VAL 28 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3kni n TRP 29 N 0.00 0.00 0.02 3.52 5.03 -1.26 -1.23 117.44 123.51 3kni n TRP 29 Ca 0.00 0.00 0.12 0.00 3.03 0.00 0.00 57.50 60.65 3kni n TRP 29 Cb 0.00 0.00 0.28 0.00 -1.03 0.00 0.00 31.31 30.56 3kni n TRP 29 CO 0.00 0.00 0.00 -1.91 -0.03 0.00 0.00 177.69 175.75 3kni n GLU 30 N -0.76 2.57 -4.08 -0.99 2.13 -1.23 -4.92 120.64 113.36 3kni n GLU 30 Ca 0.12 -2.41 -0.23 0.00 0.66 0.00 0.00 57.16 55.30 3kni n GLU 30 Cb 0.05 -1.53 -0.04 0.00 0.27 0.00 0.00 31.44 30.19 3kni n GLU 30 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3kni s VAL 31 N -1.26 4.61 0.43 6.31 0.11 -0.37 -4.82 120.40 125.41 3kni s VAL 31 Ca 0.44 -1.25 -0.24 0.00 -2.93 0.00 0.00 61.98 57.99 3kni s VAL 31 Cb 0.24 -3.46 -0.08 0.00 -1.53 0.00 0.00 36.38 31.55 3kni s VAL 31 CO 0.32 -0.29 1.18 -2.84 -3.33 0.00 0.00 175.10 170.14 3kni s PRO 32 N -3.70 3.90 -0.28 1.54 0.02 -1.26 -4.80 135.00 130.43 3kni s PRO 32 Ca 0.33 1.83 -0.18 0.00 0.02 0.00 0.00 61.00 63.00 3kni s PRO 32 Cb -0.09 -2.55 0.08 0.00 0.02 0.00 0.00 34.50 31.96 3kni s PRO 32 CO 0.25 -0.45 0.69 1.03 -0.33 0.00 0.00 177.00 178.20 3kni s ARG 33 N -2.49 0.73 0.08 5.54 0.52 -1.26 -4.96 118.95 117.11 3kni s ARG 33 Ca 0.60 1.19 -0.33 0.00 -0.52 0.00 0.00 55.73 56.66 3kni s ARG 33 Cb -0.30 0.19 -0.13 0.00 0.52 0.00 0.00 34.95 35.23 3kni s ARG 33 CO 0.37 -0.14 1.73 1.28 0.02 0.00 0.00 175.30 178.56 3kni n LEU 34 N 4.03 3.42 -0.00 2.53 4.77 -1.26 -2.25 117.00 128.24 3kni n LEU 34 Ca -0.19 1.03 -0.00 0.00 -0.03 0.00 0.00 56.01 56.82 3kni n LEU 34 Cb 0.58 -1.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.23 3kni n LEU 34 CO -0.01 -0.11 -0.00 -0.08 -1.33 0.00 0.00 177.39 175.86 3kni h GLU 35 N 7.51 0.00 -2.99 3.23 4.81 0.61 -3.47 114.58 124.29 3kni h GLU 35 Ca -0.46 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 3kni h GLU 35 Cb 1.25 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.48 3kni h GLU 35 CO 0.92 0.00 0.01 -1.59 -0.73 0.00 0.00 179.01 177.63 3kni s LYS 36 N -1.03 1.06 -0.13 1.92 -2.85 -0.83 -4.71 119.74 113.17 3kni s LYS 36 Ca -0.00 -0.40 -0.00 0.00 -1.00 0.00 0.00 55.97 54.57 3kni s LYS 36 Cb 0.00 0.48 0.03 0.00 -2.06 0.00 0.00 37.83 36.28 3kni s LYS 36 CO 0.00 -0.40 -0.07 0.08 0.10 0.00 0.00 175.35 175.06 3kni s VAL 37 N -2.96 1.03 -0.14 1.79 1.01 0.17 -0.62 120.40 120.68 3kni s VAL 37 Ca -0.02 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3kni s VAL 37 Cb -0.00 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.30 3kni s VAL 37 CO -0.06 0.30 -0.22 -0.69 0.00 0.00 0.00 175.10 174.44 3kni s VAL 38 N 1.70 2.06 -0.30 2.92 1.01 -0.48 -0.52 120.40 126.80 3kni s VAL 38 Ca 0.04 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 3kni s VAL 38 Cb -0.13 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 3kni s VAL 38 CO -0.08 0.55 0.11 -0.51 0.00 0.00 0.00 175.10 175.17 3kni s ILE 39 N 0.82 4.24 -0.09 2.22 1.10 -1.10 -1.22 121.20 127.17 3kni s ILE 39 Ca -0.07 -0.54 0.03 0.00 -0.51 0.00 0.00 60.65 59.56 3kni s ILE 39 Cb -0.15 -3.16 -0.01 0.00 0.15 0.00 0.00 42.46 39.28 3kni s ILE 39 CO -0.02 0.10 -0.18 0.21 -2.11 0.00 0.00 174.94 172.94 3kni s ASN 40 N 1.55 3.65 -0.24 4.50 3.84 0.10 -2.83 114.94 125.52 3kni s ASN 40 Ca 0.04 -0.38 -0.10 0.00 0.21 0.00 0.00 52.86 52.63 3kni s ASN 40 Cb -0.17 -1.22 -0.05 0.00 -0.55 0.00 0.00 41.25 39.26 3kni s ASN 40 CO 0.04 0.23 0.15 -1.10 -2.79 0.00 0.00 177.10 173.63 3kni s GLN 41 N -0.02 4.05 -0.07 0.43 -0.21 -0.12 0.09 119.66 123.81 3kni s GLN 41 Ca -0.05 -0.28 -0.25 0.00 0.02 0.00 0.00 55.36 54.79 3kni s GLN 41 Cb -0.14 -3.51 -0.24 0.00 1.00 0.00 0.00 33.01 30.11 3kni s GLN 41 CO 0.04 0.06 1.00 0.78 -2.12 0.00 0.00 175.29 175.05 3kni h GLY 42 N 7.51 0.14 0.00 3.09 0.00 -1.86 -3.14 103.07 108.80 3kni h GLY 42 Ca -0.38 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3kni h GLY 42 CO 0.65 0.22 0.00 1.04 0.00 0.00 0.00 176.54 178.45 3kni n LEU 43 N -4.55 0.00 0.00 3.11 7.99 -1.26 -4.58 117.00 117.71 3kni n LEU 43 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 3kni n LEU 43 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 3kni n LEU 43 CO 0.38 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.87 3kni n GLY 44 N 0.00 1.10 3.22 -0.72 0.00 -1.26 -5.08 105.19 102.45 3kni n GLY 44 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3kni n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kni s GLU 45 N -0.09 2.50 0.00 1.61 0.41 -1.26 -4.40 118.70 117.46 3kni s GLU 45 Ca 0.00 -1.75 0.00 0.00 -0.41 0.00 0.00 54.97 52.81 3kni s GLU 45 Cb 0.00 -3.94 0.00 0.00 -1.78 0.00 0.00 34.13 28.41 3kni s GLU 45 CO 0.00 -1.19 0.00 0.00 -0.49 0.00 0.00 175.26 173.58 3kni n ALA 46 N 4.92 0.47 -1.00 5.21 0.00 -1.26 -4.88 120.51 123.97 3kni n ALA 46 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3kni n ALA 46 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3kni n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kni n LYS 47 N 0.00 0.00 -4.39 0.00 4.76 -1.26 -4.86 118.16 112.41 3kni n LYS 47 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 3kni n LYS 47 Cb 0.30 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.39 3kni n LYS 47 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3kni s GLU 48 N 0.00 1.45 -0.41 1.97 2.02 -1.26 -4.88 118.70 117.59 3kni s GLU 48 Ca 0.00 -1.64 -0.13 0.00 0.02 0.00 0.00 54.97 53.21 3kni s GLU 48 Cb 0.00 -1.35 0.02 0.00 0.10 0.00 0.00 34.13 32.90 3kni s GLU 48 CO 0.00 0.24 0.48 -3.47 0.02 0.00 0.00 175.26 172.53 3kni n ASP 49 N -0.43 -7.92 -3.04 -0.19 2.03 -1.26 -4.52 116.55 101.22 3kni n ASP 49 Ca -0.07 0.69 -0.13 0.00 0.52 0.00 0.00 54.79 55.80 3kni n ASP 49 Cb 0.60 -5.28 0.06 0.00 -0.72 0.00 0.00 41.12 35.78 3kni n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kni n ALA 50 N -0.10 -2.20 -1.26 -1.67 0.00 -1.26 -4.88 120.51 109.15 3kni n ALA 50 Ca 0.09 0.11 -0.36 0.00 0.00 0.00 0.00 53.44 53.28 3kni n ALA 50 Cb 0.38 -4.88 -0.02 0.00 0.00 0.00 0.00 19.45 14.93 3kni n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kni n ARG 51 N -3.08 2.94 -0.04 0.00 5.12 -1.26 -4.37 116.66 115.97 3kni n ARG 51 Ca -0.08 -2.08 -0.00 0.00 -1.93 0.00 0.00 57.85 53.75 3kni n ARG 51 Cb 0.61 -2.84 -0.00 0.00 -1.16 0.00 0.00 32.46 29.07 3kni n ARG 51 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3kni h ILE 52 N 3.46 0.00 -6.48 0.55 1.08 -1.91 -3.46 117.51 110.75 3kni h ILE 52 Ca 0.68 -0.84 -0.46 0.00 -0.39 0.00 0.00 64.86 63.84 3kni h ILE 52 Cb 0.37 0.00 -0.25 0.00 -3.07 0.00 0.00 36.82 33.87 3kni h ILE 52 CO 1.75 0.00 -0.67 0.18 -0.69 0.00 0.00 178.15 178.72 3kni n LEU 53 N -4.34 -0.88 0.00 1.44 7.99 -1.26 -4.75 117.00 115.21 3kni n LEU 53 Ca -0.01 -0.76 0.12 0.00 -0.01 0.00 0.00 56.01 55.35 3kni n LEU 53 Cb 0.03 -1.62 0.17 0.00 -0.11 0.00 0.00 43.42 41.89 3kni n LEU 53 CO 0.01 0.11 0.35 -0.62 -1.51 0.00 0.00 177.39 175.73 3kni n GLU 54 N -3.75 0.02 0.00 3.23 -0.58 -1.26 -3.50 120.64 114.79 3kni n GLU 54 Ca 0.07 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.86 3kni n GLU 54 Cb 0.48 -1.51 0.24 0.00 -0.57 0.00 0.00 31.44 30.08 3kni n GLU 54 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3kni n LYS 55 N -1.53 0.51 -0.00 3.49 0.00 -1.26 -0.69 118.16 118.68 3kni n LYS 55 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.40 3kni n LYS 55 Cb 0.34 -1.25 -0.06 0.00 0.00 0.00 0.00 35.03 34.06 3kni n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kni n ALA 56 N -0.75 2.50 -0.02 3.14 0.00 -1.23 -4.31 120.51 119.84 3kni n ALA 56 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 3kni n ALA 56 Cb 0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 19.45 19.19 3kni n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kni h ALA 57 N 0.85 0.00 -0.86 0.00 0.00 -1.10 -2.95 119.26 115.20 3kni h ALA 57 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.79 3kni h ALA 57 Cb 0.32 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3kni h ALA 57 CO 0.00 0.09 0.56 -0.56 0.00 0.00 0.00 179.25 179.34 3kni h GLN 58 N -0.36 1.01 -0.93 0.00 3.07 -1.86 1.22 115.11 117.25 3kni h GLN 58 Ca 0.00 -0.06 0.19 0.00 0.09 0.00 0.00 58.65 58.87 3kni h GLN 58 Cb 0.09 -0.23 -0.08 0.00 0.08 0.00 0.00 27.48 27.34 3kni h GLN 58 CO 0.00 0.67 0.60 1.49 0.09 0.00 0.00 178.83 181.68 3kni h GLU 59 N 1.04 0.56 0.07 0.06 4.81 -1.75 0.77 114.58 120.14 3kni h GLU 59 Ca 0.35 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.30 3kni h GLU 59 Cb 0.08 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3kni h GLU 59 CO -0.11 0.37 -1.11 1.25 -0.73 0.00 0.00 179.01 178.68 3kni h LEU 60 N 0.58 0.31 0.00 1.64 7.12 0.90 -3.13 115.31 122.73 3kni h LEU 60 Ca 0.50 -0.31 0.00 0.00 0.13 0.00 0.00 57.88 58.19 3kni h LEU 60 Cb 0.99 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.02 3kni h LEU 60 CO -0.24 1.21 0.00 0.00 -0.13 0.00 0.00 178.44 179.28 3kni n ALA 61 N -2.48 1.89 -1.05 1.25 0.00 0.34 -3.31 120.51 117.15 3kni n ALA 61 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3kni n ALA 61 Cb 0.96 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3kni n ALA 61 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kni n LEU 62 N -0.50 0.49 -0.24 0.00 4.32 -0.88 -2.48 117.00 117.72 3kni n LEU 62 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.00 3kni n LEU 62 Cb 0.00 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.86 3kni n LEU 62 CO 0.00 0.00 0.40 2.30 -1.22 0.00 0.00 177.39 178.87 3kni n ILE 63 N -1.25 -0.31 0.12 -0.08 -5.35 -1.22 0.13 119.36 111.40 3kni n ILE 63 Ca 0.00 1.50 -0.23 0.00 -0.27 0.00 0.00 62.75 63.74 3kni n ILE 63 Cb 0.00 -2.02 -0.16 0.00 -1.74 0.00 0.00 39.64 35.73 3kni n ILE 63 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kni h THR 64 N 0.00 1.33 0.00 7.28 1.03 -1.81 -3.46 112.91 117.28 3kni h THR 64 Ca 0.26 -2.64 0.00 0.00 -0.01 0.00 0.00 66.41 64.02 3kni h THR 64 Cb 0.43 3.08 0.00 0.00 -1.07 0.00 0.00 68.15 70.59 3kni h THR 64 CO -0.65 0.78 0.00 0.61 -0.01 0.00 0.00 175.52 176.25 3kni n GLY 65 N 1.71 0.67 3.05 2.99 0.00 0.35 -4.93 105.19 109.03 3kni n GLY 65 Ca -0.16 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 3kni n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kni s GLN 66 N -0.77 1.33 0.28 1.61 -0.21 -1.19 -4.90 119.66 115.81 3kni s GLN 66 Ca 0.00 -0.42 -0.30 0.00 0.02 0.00 0.00 55.36 54.66 3kni s GLN 66 Cb 0.00 -1.19 -0.11 0.00 1.00 0.00 0.00 33.01 32.71 3kni s GLN 66 CO 0.00 0.15 1.57 0.15 -2.12 0.00 0.00 175.29 175.04 3kni s LYS 67 N 0.20 4.15 0.00 2.91 1.02 -1.26 -4.15 119.74 122.61 3kni s LYS 67 Ca -0.05 2.52 0.00 0.00 0.02 0.00 0.00 55.97 58.47 3kni s LYS 67 Cb -0.11 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 3kni s LYS 67 CO 0.01 -0.60 0.00 -2.30 -0.92 0.00 0.00 175.35 171.54 3kni n PRO 68 N 2.37 0.22 -3.68 -1.68 -0.02 -1.26 -4.92 135.00 126.03 3kni n PRO 68 Ca 0.09 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.40 3kni n PRO 68 Cb 0.38 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.70 3kni n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kni s ALA 69 N -3.74 -0.14 -0.72 3.55 0.00 0.92 -4.94 121.76 116.69 3kni s ALA 69 Ca 0.00 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.24 3kni s ALA 69 Cb 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 23.12 22.27 3kni s ALA 69 CO 0.00 -0.51 2.26 0.14 0.00 0.00 0.00 175.76 177.65 3kni s VAL 70 N 2.14 3.13 -1.16 0.00 -7.23 -1.26 -2.14 120.40 113.88 3kni s VAL 70 Ca 0.02 -0.05 -0.18 0.00 -1.81 0.00 0.00 61.98 59.95 3kni s VAL 70 Cb -0.12 -3.31 0.10 0.00 0.56 0.00 0.00 36.38 33.60 3kni s VAL 70 CO -0.06 -0.30 1.52 0.42 -0.31 0.00 0.00 175.10 176.37 3kni s THR 71 N 12.64 4.36 0.22 5.32 -4.23 0.75 -4.94 115.64 129.76 3kni s THR 71 Ca 0.87 -1.76 -0.31 0.00 -1.18 0.00 0.00 61.69 59.30 3kni s THR 71 Cb -0.13 -5.04 -0.11 0.00 1.34 0.00 0.00 72.50 68.56 3kni s THR 71 CO 0.12 -1.84 1.66 -0.13 -0.54 0.00 0.00 174.62 173.89 3kni s ARG 72 N 3.60 4.14 0.25 3.99 0.52 -1.25 -3.14 118.95 127.06 3kni s ARG 72 Ca 0.47 2.55 -0.25 0.00 -0.52 0.00 0.00 55.73 57.97 3kni s ARG 72 Cb 0.00 -3.08 -0.16 0.00 0.52 0.00 0.00 34.95 32.23 3kni s ARG 72 CO -0.01 -0.70 0.39 0.00 0.02 0.00 0.00 175.30 175.00 3kni n ALA 73 N 3.63 -2.85 0.00 2.13 0.00 -0.46 -4.84 120.51 118.11 3kni n ALA 73 Ca 0.14 0.34 -0.15 0.00 0.00 0.00 0.00 53.44 53.77 3kni n ALA 73 Cb 0.36 -1.52 -0.14 0.00 0.00 0.00 0.00 19.45 18.16 3kni n ALA 73 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kni h LYS 74 N 0.78 0.14 0.00 0.00 1.57 -1.80 -3.32 116.57 113.94 3kni h LYS 74 Ca -0.29 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3kni h LYS 74 Cb 1.39 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.79 3kni h LYS 74 CO 0.52 0.87 0.00 1.17 -0.57 0.00 0.00 179.45 181.44 3kni n LYS 75 N -3.28 2.46 -3.79 3.15 4.81 -1.24 -4.76 118.16 115.50 3kni n LYS 75 Ca -0.23 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.01 3kni n LYS 75 Cb 1.05 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.93 3kni n LYS 75 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 3kni s SER 76 N 1.00 1.14 -0.51 3.14 0.01 -1.26 0.12 113.70 117.34 3kni s SER 76 Ca 0.00 -0.02 -0.08 0.00 1.31 0.00 0.00 55.95 57.16 3kni s SER 76 Cb 0.00 -0.29 0.13 0.00 0.21 0.00 0.00 66.02 66.07 3kni s SER 76 CO 0.00 -0.18 0.37 -0.63 0.41 0.00 0.00 173.24 173.21 3kni s ILE 77 N 1.77 4.11 -2.05 1.44 -1.09 -1.25 -4.92 121.20 119.22 3kni s ILE 77 Ca 0.01 -2.05 0.11 0.00 -2.23 0.00 0.00 60.65 56.49 3kni s ILE 77 Cb -0.13 -3.70 0.28 0.00 -1.58 0.00 0.00 42.46 37.33 3kni s ILE 77 CO -0.04 -0.80 1.32 -0.24 -1.23 0.00 0.00 174.94 173.96 3kni n SER 78 N 4.59 0.78 -0.00 3.58 2.88 -1.26 -3.44 113.62 120.74 3kni n SER 78 Ca -0.03 -1.82 0.11 0.00 -1.33 0.00 0.00 58.87 55.80 3kni n SER 78 Cb 0.41 -0.08 -0.15 0.00 -0.75 0.00 0.00 64.21 63.64 3kni n SER 78 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3kni n ASN 79 N -0.15 0.32 -2.78 -3.46 4.13 -1.26 -4.76 115.26 107.30 3kni n ASN 79 Ca 0.09 -0.30 -0.05 0.00 1.68 0.00 0.00 54.58 56.00 3kni n ASN 79 Cb 0.15 1.66 0.01 0.00 -1.54 0.00 0.00 39.78 40.06 3kni n ASN 79 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3kni n PHE 80 N -2.03 -3.67 0.00 3.10 -0.00 -1.22 -5.15 117.46 108.48 3kni n PHE 80 Ca -0.01 -1.49 0.00 0.00 -0.00 0.00 0.00 57.45 55.95 3kni n PHE 80 Cb 0.50 1.45 0.00 0.00 -0.00 0.00 0.00 39.48 41.43 3kni n PHE 80 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3kni n LYS 81 N 2.75 0.00 -0.96 -4.13 5.02 -1.25 -4.93 118.16 114.67 3kni n LYS 81 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 3kni n LYS 81 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.58 3kni n LYS 81 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kni n LEU 82 N 0.00 0.00 0.00 -0.35 4.77 -1.26 -4.52 117.00 115.64 3kni n LEU 82 Ca 0.00 0.64 -0.04 0.00 -0.03 0.00 0.00 56.01 56.57 3kni n LEU 82 Cb 0.00 -0.96 -0.01 0.00 -2.33 0.00 0.00 43.42 40.12 3kni n LEU 82 CO 0.00 -0.08 0.01 -2.11 -1.33 0.00 0.00 177.39 173.87 3kni n ARG 83 N 0.53 0.14 0.00 3.23 -4.01 -1.26 -3.76 116.66 111.53 3kni n ARG 83 Ca 0.00 -0.80 0.00 0.00 -1.04 0.00 0.00 57.85 56.01 3kni n ARG 83 Cb 0.00 0.71 0.00 0.00 -3.04 0.00 0.00 32.46 30.13 3kni n ARG 83 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 3kni n LYS 84 N -0.16 0.00 -0.03 2.89 5.02 0.12 -4.63 118.16 121.37 3kni n LYS 84 Ca 0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.28 3kni n LYS 84 Cb 0.15 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.16 3kni n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kni n GLY 85 N 0.00 -0.55 0.00 0.72 0.00 -1.25 -3.74 105.19 100.37 3kni n GLY 85 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3kni n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kni n MET 86 N -3.08 0.00 0.00 1.61 2.81 -1.26 -1.36 117.12 115.84 3kni n MET 86 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 3kni n MET 86 Cb 0.14 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.65 3kni n MET 86 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3kni n PRO 87 N -0.94 0.00 -2.32 0.03 -0.02 -1.26 -4.33 135.00 126.16 3kni n PRO 87 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 3kni n PRO 87 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 3kni n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3kni s ILE 88 N 0.00 3.29 0.00 4.25 1.10 -1.26 -4.49 121.20 124.09 3kni s ILE 88 Ca 0.00 0.84 0.00 0.00 -0.51 0.00 0.00 60.65 60.98 3kni s ILE 88 Cb 0.00 -3.35 0.00 0.00 0.15 0.00 0.00 42.46 39.26 3kni s ILE 88 CO 0.00 -0.14 0.00 0.61 -2.11 0.00 0.00 174.94 173.30 3kni n GLY 89 N 0.13 3.27 3.12 1.50 0.00 -1.19 -2.40 105.19 109.63 3kni n GLY 89 Ca 0.10 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 3kni n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kni s LEU 90 N 0.00 1.88 -0.11 0.99 0.20 -1.19 0.27 118.68 120.71 3kni s LEU 90 Ca 0.00 -0.38 -0.23 0.00 0.69 0.00 0.00 54.13 54.21 3kni s LEU 90 Cb 0.00 -1.03 0.05 0.00 -0.43 0.00 0.00 46.19 44.78 3kni s LEU 90 CO 0.00 0.12 0.56 -0.60 -0.29 0.00 0.00 176.35 176.14 3kni s ARG 91 N 0.26 0.81 0.04 1.98 3.00 -0.91 -0.95 118.95 123.18 3kni s ARG 91 Ca -0.10 0.40 0.03 0.00 -1.00 0.00 0.00 55.73 55.06 3kni s ARG 91 Cb -0.14 0.38 -0.02 0.00 0.00 0.00 0.00 34.95 35.17 3kni s ARG 91 CO 0.04 -0.19 -0.09 0.54 0.00 0.00 0.00 175.30 175.60 3kni s VAL 92 N -0.57 0.65 -0.14 7.11 0.11 -1.13 -0.05 120.40 126.38 3kni s VAL 92 Ca -0.07 -0.96 0.02 0.00 -2.93 0.00 0.00 61.98 58.04 3kni s VAL 92 Cb -0.03 -0.67 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 3kni s VAL 92 CO 0.05 -0.24 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.50 3kni s THR 93 N -1.11 1.83 -0.18 5.04 2.01 -1.26 -2.71 115.64 119.26 3kni s THR 93 Ca -0.06 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 3kni s THR 93 Cb -0.08 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 3kni s THR 93 CO 0.01 0.50 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.61 3kni s LEU 94 N 1.03 2.89 0.12 4.42 1.43 0.32 -5.00 118.68 123.90 3kni s LEU 94 Ca -0.03 -0.32 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 3kni s LEU 94 Cb -0.15 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 3kni s LEU 94 CO -0.05 0.08 -0.18 -0.13 0.23 0.00 0.00 176.35 176.31 3kni s ARG 95 N 0.88 1.12 0.13 1.70 0.52 -1.26 -0.66 118.95 121.37 3kni s ARG 95 Ca -0.02 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 53.95 3kni s ARG 95 Cb -0.15 -1.19 0.00 0.00 0.52 0.00 0.00 34.95 34.13 3kni s ARG 95 CO 0.01 0.25 0.00 0.54 0.02 0.00 0.00 175.30 176.12 3kni n ARG 96 N 0.71 -0.52 0.00 3.54 1.74 -1.26 -3.51 116.66 117.36 3kni n ARG 96 Ca -0.17 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 3kni n ARG 96 Cb 0.56 -0.64 0.00 0.00 -1.02 0.00 0.00 32.46 31.36 3kni n ARG 96 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kni n ASP 97 N -4.35 0.00 -0.48 0.55 8.00 -1.26 0.42 116.55 119.42 3kni n ASP 97 Ca 0.00 0.00 0.40 0.00 0.71 0.00 0.00 54.79 55.90 3kni n ASP 97 Cb 0.12 0.00 0.71 0.00 -0.02 0.00 0.00 41.12 41.93 3kni n ASP 97 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3kni h ARG 98 N 0.00 0.07 0.11 -1.24 2.47 -1.94 1.66 114.38 115.51 3kni h ARG 98 Ca 0.00 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3kni h ARG 98 Cb 0.00 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 3kni h ARG 98 CO 0.00 0.05 -0.05 1.98 0.56 0.00 0.00 179.97 182.50 3kni h MET 99 N 0.07 -0.14 0.13 0.04 4.05 0.82 -3.17 114.93 116.73 3kni h MET 99 Ca 0.78 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 60.23 3kni h MET 99 Cb 2.76 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 33.56 3kni h MET 99 CO -0.20 0.35 -0.30 -1.49 0.23 0.00 0.00 176.91 175.50 3kni h TRP 100 N -0.74 -0.81 -0.37 1.39 4.06 0.23 -1.82 115.95 117.89 3kni h TRP 100 Ca -0.01 0.02 0.11 0.00 2.06 0.00 0.00 58.89 61.06 3kni h TRP 100 Cb 0.55 0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 29.04 3kni h TRP 100 CO 0.10 -0.41 0.44 -0.84 -3.56 0.00 0.00 178.44 174.17 3kni h ILE 101 N -0.53 0.34 0.00 1.49 -2.65 -0.49 -2.35 117.51 113.32 3kni h ILE 101 Ca 0.03 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.92 3kni h ILE 101 Cb 0.55 0.65 0.00 0.00 -2.05 0.00 0.00 36.82 35.96 3kni h ILE 101 CO -0.17 0.00 0.00 0.33 0.03 0.00 0.00 178.15 178.34 3kni n PHE 102 N -3.63 0.00 -0.28 0.16 -0.00 -0.69 -3.10 117.46 109.93 3kni n PHE 102 Ca 0.06 0.00 0.33 0.00 -0.00 0.00 0.00 57.45 57.85 3kni n PHE 102 Cb 0.60 -0.08 0.74 0.00 -0.00 0.00 0.00 39.48 40.75 3kni n PHE 102 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3kni h LEU 103 N 0.00 0.00 -0.54 -2.13 4.07 -1.54 0.56 115.31 115.73 3kni h LEU 103 Ca 0.00 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.07 3kni h LEU 103 Cb 0.00 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 41.63 3kni h LEU 103 CO 0.00 0.00 -0.22 -0.08 -1.08 0.00 0.00 178.44 177.06 3kni h GLU 104 N 0.00 -0.09 0.15 1.13 4.81 -1.46 -0.15 114.58 118.97 3kni h GLU 104 Ca 0.52 0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 59.47 3kni h GLU 104 Cb 2.10 0.02 0.01 0.00 0.63 0.00 0.00 28.75 31.51 3kni h GLU 104 CO -0.01 -0.06 -1.32 0.87 -0.73 0.00 0.00 179.01 177.76 3kni h LYS 105 N -0.10 0.32 0.00 1.92 1.57 0.08 -2.98 116.57 117.38 3kni h LYS 105 Ca 0.25 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3kni h LYS 105 Cb 0.48 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3kni h LYS 105 CO -0.60 1.25 0.20 -0.11 -0.57 0.00 0.00 179.45 179.63 3kni n LEU 106 N -3.56 0.40 -0.00 2.94 7.94 -0.03 -1.44 117.00 123.24 3kni n LEU 106 Ca -0.11 0.61 0.03 0.00 -1.11 0.00 0.00 56.01 55.44 3kni n LEU 106 Cb 1.04 -0.60 -0.04 0.00 0.53 0.00 0.00 43.42 44.35 3kni n LEU 106 CO 0.55 -0.75 -0.22 0.18 -1.11 0.00 0.00 177.39 176.04 3kni n LEU 107 N -2.09 0.19 -0.09 -1.96 4.77 -0.17 -2.68 117.00 114.97 3kni n LEU 107 Ca -0.01 -0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 55.54 3kni n LEU 107 Cb 0.23 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 3kni n LEU 107 CO 0.07 0.05 -1.06 0.59 -1.33 0.00 0.00 177.39 175.70 3kni n ASN 108 N -1.36 2.16 0.00 -1.43 4.13 -0.52 -4.75 115.26 113.49 3kni n ASN 108 Ca 0.00 -0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.20 3kni n ASN 108 Cb 0.13 0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.47 3kni n ASN 108 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3kni n VAL 109 N -2.87 0.00 0.06 2.41 0.31 -0.95 -4.71 118.33 112.58 3kni n VAL 109 Ca -0.30 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.01 3kni n VAL 109 Cb 0.89 -1.22 -0.01 0.00 -0.91 0.00 0.00 33.84 32.59 3kni n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kni h ALA 110 N 0.00 -0.83 -1.09 3.52 0.00 -1.74 -3.06 119.26 116.06 3kni h ALA 110 Ca 0.00 -0.03 0.34 0.00 0.00 0.00 0.00 54.91 55.22 3kni h ALA 110 Cb 0.75 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.47 3kni h ALA 110 CO 0.00 -0.82 0.66 1.25 0.00 0.00 0.00 179.25 180.35 3kni h LEU 111 N -0.19 0.43 0.00 0.00 6.46 -1.70 -2.82 115.31 117.50 3kni h LEU 111 Ca -0.02 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3kni h LEU 111 Cb 0.12 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 3kni h LEU 111 CO 0.03 -0.11 0.00 -2.65 -0.62 0.00 0.00 178.44 175.09 3kni n PRO 112 N -4.87 0.00 -2.68 5.25 -0.02 -1.16 -3.86 135.00 127.65 3kni n PRO 112 Ca 0.32 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.68 3kni n PRO 112 Cb 1.08 -1.14 -0.00 0.00 -0.02 0.00 0.00 33.50 33.42 3kni n PRO 112 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kni s ARG 113 N -1.57 4.00 0.01 -0.52 1.81 -1.06 -4.85 118.95 116.78 3kni s ARG 113 Ca 0.00 -2.13 0.02 0.00 -1.72 0.00 0.00 55.73 51.90 3kni s ARG 113 Cb 0.00 -5.40 -0.04 0.00 -0.45 0.00 0.00 34.95 29.06 3kni s ARG 113 CO 0.00 -2.12 0.01 0.42 -0.68 0.00 0.00 175.30 172.93 3kni s ILE 114 N 3.53 4.22 0.00 1.52 1.01 -1.25 -4.80 121.20 125.42 3kni s ILE 114 Ca 0.51 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.51 3kni s ILE 114 Cb 0.02 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.58 3kni s ILE 114 CO 0.05 0.33 0.00 0.54 0.00 0.00 0.00 174.94 175.86 3kni n ARG 115 N 1.21 0.00 0.00 2.79 1.74 -1.26 -4.44 116.66 116.70 3kni n ARG 115 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 3kni n ARG 115 Cb 0.52 -0.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 3kni n ARG 115 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kni n ASP 116 N 0.00 0.00 -1.77 0.55 9.92 -1.26 -5.10 116.55 118.89 3kni n ASP 116 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 3kni n ASP 116 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 3kni n ASP 116 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3kni n PHE 117 N -0.63 -1.89 -2.51 1.24 7.35 -1.26 -5.00 117.46 114.76 3kni n PHE 117 Ca 0.00 1.11 -0.20 0.00 -0.76 0.00 0.00 57.45 57.60 3kni n PHE 117 Cb 0.00 -2.60 0.01 0.00 0.35 0.00 0.00 39.48 37.24 3kni n PHE 117 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3kni n ARG 118 N 0.71 2.70 0.00 -4.13 1.74 -1.26 -5.07 116.66 111.36 3kni n ARG 118 Ca -0.10 -4.06 0.00 0.00 -0.77 0.00 0.00 57.85 52.92 3kni n ARG 118 Cb 0.15 -1.93 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 3kni n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kni n GLY 119 N -0.39 2.56 0.00 -0.13 0.00 -1.26 -4.46 105.19 101.51 3kni n GLY 119 Ca 0.29 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3kni n GLY 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kni n LEU 120 N 0.00 0.00 -4.01 0.99 4.77 0.30 -4.28 117.00 114.77 3kni n LEU 120 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 3kni n LEU 120 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 3kni n LEU 120 CO 0.00 0.00 -0.43 0.21 -1.33 0.00 0.00 177.39 175.84 3kni s ASN 121 N -1.27 4.24 0.23 -1.43 3.84 -1.26 -3.02 114.94 116.27 3kni s ASN 121 Ca 0.00 -1.38 0.07 0.00 0.21 0.00 0.00 52.86 51.76 3kni s ASN 121 Cb 0.00 -1.40 0.36 0.00 -0.55 0.00 0.00 41.25 39.66 3kni s ASN 121 CO 0.00 -0.23 1.01 -0.81 -2.79 0.00 0.00 177.10 174.28 3kni n PRO 122 N 4.52 0.05 -0.01 0.43 -0.04 -1.26 -2.14 135.00 136.55 3kni n PRO 122 Ca -0.12 0.44 0.01 0.00 -0.04 0.00 0.00 63.50 63.80 3kni n PRO 122 Cb 0.43 -2.04 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 3kni n PRO 122 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kni n ASN 123 N -1.74 3.96 0.00 3.54 4.13 -1.26 -4.76 115.26 119.13 3kni n ASN 123 Ca -0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3kni n ASN 123 Cb 0.40 1.02 0.00 0.00 -1.54 0.00 0.00 39.78 39.66 3kni n ASN 123 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3kni n SER 124 N -1.82 0.00 -0.09 6.41 7.64 -0.91 0.10 113.62 124.95 3kni n SER 124 Ca -0.03 0.03 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 3kni n SER 124 Cb 0.28 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.41 3kni n SER 124 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3kni n PHE 125 N -0.73 0.53 -1.26 1.43 3.01 -1.26 -3.21 117.46 115.98 3kni n PHE 125 Ca 0.00 0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.69 3kni n PHE 125 Cb 0.10 -0.77 0.00 0.00 -0.01 0.00 0.00 39.48 38.80 3kni n PHE 125 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3kni n ASP 126 N -4.49 0.00 0.00 4.37 8.00 0.28 -2.89 116.55 121.82 3kni n ASP 126 Ca -0.19 0.63 0.00 0.00 0.71 0.00 0.00 54.79 55.93 3kni n ASP 126 Cb 0.49 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 3kni n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kni n GLY 127 N 1.81 1.73 3.62 0.44 0.00 -1.26 -4.92 105.19 106.60 3kni n GLY 127 Ca 0.00 -0.02 -0.49 0.00 0.00 0.00 0.00 46.02 45.51 3kni n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kni n ARG 128 N 0.00 1.52 -0.02 1.61 5.12 -1.14 -4.41 116.66 119.34 3kni n ARG 128 Ca 0.00 0.54 -0.00 0.00 -1.93 0.00 0.00 57.85 56.46 3kni n ARG 128 Cb 0.00 -2.18 0.01 0.00 -1.16 0.00 0.00 32.46 29.13 3kni n ARG 128 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kni n GLY 129 N 2.51 1.68 3.01 -0.13 0.00 -1.20 -4.43 105.19 106.63 3kni n GLY 129 Ca 0.16 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 3kni n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kni s ASN 130 N 0.26 0.25 0.39 1.61 0.01 -1.26 -3.53 114.94 112.66 3kni s ASN 130 Ca 0.01 -0.53 0.08 0.00 -0.71 0.00 0.00 52.86 51.70 3kni s ASN 130 Cb 0.01 0.13 -0.06 0.00 0.41 0.00 0.00 41.25 41.74 3kni s ASN 130 CO 0.00 -0.35 0.09 -0.47 -1.51 0.00 0.00 177.10 174.86 3kni s TYR 131 N -1.80 2.57 -0.18 2.20 5.04 -0.92 -4.41 117.35 119.85 3kni s TYR 131 Ca -0.13 -0.55 -0.14 0.00 -2.44 0.00 0.00 57.07 53.82 3kni s TYR 131 Cb -0.07 -1.77 0.05 0.00 0.35 0.00 0.00 41.96 40.52 3kni s TYR 131 CO -0.02 0.34 0.46 -0.80 -1.34 0.00 0.00 175.55 174.18 3kni s ASN 132 N -3.80 -0.52 0.17 4.32 0.01 -1.20 -2.06 114.94 111.86 3kni s ASN 132 Ca 0.38 0.95 0.05 0.00 -0.71 0.00 0.00 52.86 53.53 3kni s ASN 132 Cb 0.04 0.91 -0.05 0.00 0.41 0.00 0.00 41.25 42.56 3kni s ASN 132 CO 0.21 -0.18 -0.10 -1.48 -1.51 0.00 0.00 177.10 174.04 3kni s LEU 133 N 0.74 2.50 0.32 0.60 0.05 0.46 -4.85 118.68 118.50 3kni s LEU 133 Ca -0.04 -1.04 0.11 0.00 0.05 0.00 0.00 54.13 53.21 3kni s LEU 133 Cb -0.05 -0.43 -0.06 0.00 -2.05 0.00 0.00 46.19 43.60 3kni s LEU 133 CO -0.05 -0.31 -0.14 -0.83 -0.55 0.00 0.00 176.35 174.47 3kni s GLY 134 N -3.23 2.06 -0.01 -3.48 0.00 -1.26 -0.63 107.32 100.77 3kni s GLY 134 Ca 0.20 -2.00 -0.07 0.00 0.00 0.00 0.00 44.72 42.85 3kni s GLY 134 CO 0.03 -2.01 0.14 1.08 0.00 0.00 0.00 173.10 172.35 3kni s LEU 135 N -3.57 1.52 -0.08 0.66 1.02 -0.87 -4.97 118.68 112.39 3kni s LEU 135 Ca 0.31 -0.12 -0.09 0.00 0.02 0.00 0.00 54.13 54.26 3kni s LEU 135 Cb -0.01 0.66 -0.03 0.00 0.02 0.00 0.00 46.19 46.83 3kni s LEU 135 CO 0.16 -0.32 -0.17 0.54 0.02 0.00 0.00 176.35 176.58 3kni n ARG 136 N 1.71 0.25 -2.65 1.70 1.74 -1.26 -2.08 116.66 116.07 3kni n ARG 136 Ca -0.21 0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 56.54 3kni n ARG 136 Cb 0.56 -0.92 -0.02 0.00 -1.02 0.00 0.00 32.46 31.06 3kni n ARG 136 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3kni s GLU 137 N -1.97 4.29 0.01 5.56 2.02 -1.26 -2.72 118.70 124.63 3kni s GLU 137 Ca -0.14 1.39 0.23 0.00 0.02 0.00 0.00 54.97 56.47 3kni s GLU 137 Cb 0.02 -3.63 0.04 0.00 0.10 0.00 0.00 34.13 30.67 3kni s GLU 137 CO 0.21 -0.57 1.07 0.00 0.02 0.00 0.00 175.26 175.98 3kni n GLN 138 N 6.08 0.06 0.16 1.61 0.00 -1.26 -4.06 117.38 119.97 3kni n GLN 138 Ca 0.12 -0.01 0.02 0.00 0.00 0.00 0.00 57.00 57.13 3kni n GLN 138 Cb 0.46 -1.51 0.25 0.00 0.00 0.00 0.00 30.24 29.44 3kni n GLN 138 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.06 178.43 3kni h LEU 139 N 0.00 0.00 -1.12 2.61 -0.00 -1.90 -3.32 115.31 111.58 3kni h LEU 139 Ca 0.00 0.00 0.38 0.00 -0.00 0.00 0.00 57.88 58.26 3kni h LEU 139 Cb 0.55 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.10 3kni h LEU 139 CO 0.00 0.50 0.73 -0.38 -0.00 0.00 0.00 178.44 179.28 3kni n ILE 140 N -3.67 -0.19 -0.70 0.15 5.41 -1.26 -4.63 119.36 114.47 3kni n ILE 140 Ca -0.01 1.42 -0.33 0.00 1.00 0.00 0.00 62.75 64.84 3kni n ILE 140 Cb 0.56 -2.34 0.16 0.00 -0.71 0.00 0.00 39.64 37.32 3kni n ILE 140 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3kni n PHE 141 N -4.25 -1.45 0.14 1.39 3.72 -1.25 -4.42 117.46 111.35 3kni n PHE 141 Ca 0.32 0.17 -0.06 0.00 -0.05 0.00 0.00 57.45 57.83 3kni n PHE 141 Cb 1.27 -1.57 -0.03 0.00 -0.94 0.00 0.00 39.48 38.21 3kni n PHE 141 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3kni h PRO 142 N -1.96 -0.39 -2.11 -1.08 0.13 -1.93 -3.39 132.00 121.27 3kni h PRO 142 Ca -0.52 0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 3kni h PRO 142 Cb 1.36 0.09 -0.05 0.00 0.13 0.00 0.00 31.00 32.52 3kni h PRO 142 CO 0.37 -0.26 -0.22 -0.85 -0.23 0.00 0.00 178.00 176.81 3kni n GLU 143 N -4.16 1.58 -3.15 0.86 0.00 -1.26 -4.68 120.64 109.83 3kni n GLU 143 Ca -0.05 -0.71 0.04 0.00 0.00 0.00 0.00 57.16 56.44 3kni n GLU 143 Cb 0.16 -1.78 -0.01 0.00 0.00 0.00 0.00 31.44 29.81 3kni n GLU 143 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 3kni s ILE 144 N 1.10 -0.84 1.48 3.84 1.10 -1.26 -4.81 121.20 121.80 3kni s ILE 144 Ca 0.48 0.00 -0.24 0.00 -0.51 0.00 0.00 60.65 60.37 3kni s ILE 144 Cb 0.23 -0.97 0.38 0.00 0.15 0.00 0.00 42.46 42.25 3kni s ILE 144 CO 0.00 0.00 0.88 0.35 -2.11 0.00 0.00 174.94 174.06 3kni n THR 145 N 5.42 0.00 -0.05 4.00 -2.24 -1.26 -4.85 114.28 115.30 3kni n THR 145 Ca -0.01 -0.02 -0.06 0.00 -2.27 0.00 0.00 64.05 61.68 3kni n THR 145 Cb 0.52 -0.99 -0.14 0.00 -2.10 0.00 0.00 70.33 67.62 3kni n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kni n TYR 146 N -5.85 0.49 -0.24 4.78 9.36 -1.26 -4.28 117.16 120.16 3kni n TYR 146 Ca 0.13 0.17 -0.02 0.00 3.32 0.00 0.00 57.90 61.51 3kni n TYR 146 Cb 0.60 -1.04 0.09 0.00 -0.63 0.00 0.00 39.34 38.37 3kni n TYR 146 CO 0.00 0.00 0.00 0.38 0.22 0.00 0.00 176.86 177.46 3kni h ASP 147 N 0.00 0.61 -1.80 2.98 3.04 -2.04 -3.22 116.42 116.00 3kni h ASP 147 Ca -0.36 0.02 -0.77 0.00 -3.24 0.00 0.00 57.03 52.68 3kni h ASP 147 Cb 1.97 -0.10 -0.22 0.00 -1.04 0.00 0.00 39.33 39.94 3kni h ASP 147 CO 0.05 0.40 1.49 0.80 -2.04 0.00 0.00 179.24 179.94 3kni n MET 148 N -4.75 4.85 -3.71 4.15 1.56 -1.26 -4.85 117.12 113.12 3kni n MET 148 Ca 0.08 -4.07 -0.15 0.00 -0.27 0.00 0.00 57.70 53.29 3kni n MET 148 Cb 0.15 -2.50 -0.15 0.00 2.15 0.00 0.00 33.22 32.87 3kni n MET 148 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 3kni s VAL 149 N -3.19 -0.14 0.09 1.12 -7.23 -1.22 -4.91 120.40 104.91 3kni s VAL 149 Ca 0.46 0.25 -0.13 0.00 -1.81 0.00 0.00 61.98 60.75 3kni s VAL 149 Cb 0.21 -0.28 -0.19 0.00 0.56 0.00 0.00 36.38 36.68 3kni s VAL 149 CO -0.14 0.10 1.26 -2.24 -0.31 0.00 0.00 175.10 173.77 3kni h ASP 150 N 7.70 0.91 -0.96 4.85 3.04 -1.90 -3.49 116.42 126.57 3kni h ASP 150 Ca -0.31 -0.66 0.00 0.00 -3.24 0.00 0.00 57.03 52.82 3kni h ASP 150 Cb 1.13 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 39.15 3kni h ASP 150 CO 0.30 1.46 0.00 0.00 -2.04 0.00 0.00 179.24 178.97 3kni n ALA 151 N -2.62 0.00 -1.96 4.15 0.00 -1.26 -5.18 120.51 113.64 3kni n ALA 151 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 3kni n ALA 151 Cb 0.81 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.32 3kni n ALA 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kni s LEU 152 N 0.00 2.89 0.00 0.00 1.02 -1.26 -5.03 118.68 116.30 3kni s LEU 152 Ca 0.00 0.61 0.00 0.00 0.02 0.00 0.00 54.13 54.76 3kni s LEU 152 Cb 0.00 -3.29 0.00 0.00 0.02 0.00 0.00 46.19 42.92 3kni s LEU 152 CO 0.00 -1.48 0.00 -1.14 0.02 0.00 0.00 176.35 173.75 3kni n ARG 153 N -2.89 0.00 0.00 1.70 0.63 -1.26 -5.05 116.66 109.79 3kni n ARG 153 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 3kni n ARG 153 Cb 0.60 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.51 3kni n ARG 153 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kni n GLY 154 N 0.00 -2.23 3.58 5.14 0.00 -1.10 -4.17 105.19 106.40 3kni n GLY 154 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.31 3kni n GLY 154 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kni s MET 155 N 0.00 0.14 -0.18 1.61 0.23 -0.88 -4.78 119.30 115.44 3kni s MET 155 Ca 0.00 -0.08 -0.01 0.00 -1.03 0.00 0.00 55.69 54.58 3kni s MET 155 Cb 0.00 0.05 0.05 0.00 -1.53 0.00 0.00 34.83 33.39 3kni s MET 155 CO 0.00 -0.06 -0.05 -0.51 -2.03 0.00 0.00 175.02 172.37 3kni s ASP 156 N -2.96 2.97 -0.18 -1.18 1.01 0.11 -2.06 116.67 114.38 3kni s ASP 156 Ca 0.15 -0.74 -0.06 0.00 0.71 0.00 0.00 52.55 52.60 3kni s ASP 156 Cb 0.07 -0.92 -0.03 0.00 1.01 0.00 0.00 42.92 43.04 3kni s ASP 156 CO -0.06 -0.20 0.02 -0.63 0.21 0.00 0.00 175.17 174.51 3kni s ILE 157 N 1.62 4.31 -0.25 0.77 1.01 0.19 -0.72 121.20 128.13 3kni s ILE 157 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.45 3kni s ILE 157 Cb -0.16 -2.94 0.04 0.00 0.01 0.00 0.00 42.46 39.41 3kni s ILE 157 CO -0.08 0.45 -0.09 0.00 0.00 0.00 0.00 174.94 175.23 3kni s ALA 158 N 0.62 2.61 -0.20 9.38 0.00 -0.36 -0.40 121.76 133.41 3kni s ALA 158 Ca 0.01 -1.57 -0.07 0.00 0.00 0.00 0.00 51.96 50.33 3kni s ALA 158 Cb -0.14 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 3kni s ALA 158 CO 0.02 -0.93 0.06 0.54 0.00 0.00 0.00 175.76 175.45 3kni s VAL 159 N 1.23 4.64 -0.11 0.00 0.11 -0.88 -1.38 120.40 124.02 3kni s VAL 159 Ca -0.03 -0.08 0.03 0.00 -2.93 0.00 0.00 61.98 58.97 3kni s VAL 159 Cb -0.18 -3.11 0.01 0.00 -1.53 0.00 0.00 36.38 31.58 3kni s VAL 159 CO -0.05 0.43 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.26 3kni s VAL 160 N 0.66 1.78 0.17 2.04 1.01 0.21 -2.17 120.40 124.10 3kni s VAL 160 Ca 0.03 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.27 3kni s VAL 160 Cb -0.13 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3kni s VAL 160 CO 0.02 0.50 -0.19 -0.89 0.00 0.00 0.00 175.10 174.54 3kni s THR 161 N 0.71 1.87 -0.49 3.92 2.01 -1.23 0.12 115.64 122.55 3kni s THR 161 Ca -0.11 -1.94 0.19 0.00 0.31 0.00 0.00 61.69 60.14 3kni s THR 161 Cb -0.16 -1.87 0.19 0.00 0.01 0.00 0.00 72.50 70.66 3kni s THR 161 CO 0.02 -0.30 1.57 1.07 -0.69 0.00 0.00 174.62 176.29 3kni n THR 162 N 0.27 1.09 -1.57 -0.82 5.66 -0.95 -4.63 114.28 113.33 3kni n THR 162 Ca -0.13 0.48 -0.38 0.00 -3.05 0.00 0.00 64.05 60.97 3kni n THR 162 Cb 0.57 -1.43 0.05 0.00 -1.55 0.00 0.00 70.33 67.97 3kni n THR 162 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kni n ALA 163 N -1.71 -0.27 -0.05 1.79 0.00 -1.26 -4.91 120.51 114.10 3kni n ALA 163 Ca 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 3kni n ALA 163 Cb 0.11 -2.01 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 3kni n ALA 163 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kni n GLU 164 N -0.69 0.28 -1.93 0.00 1.02 -1.26 -4.36 120.64 113.70 3kni n GLU 164 Ca 0.13 0.11 -0.29 0.00 -0.02 0.00 0.00 57.16 57.09 3kni n GLU 164 Cb 0.47 -0.98 0.08 0.00 -0.02 0.00 0.00 31.44 30.99 3kni n GLU 164 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kni s THR 165 N -2.05 2.43 -0.01 2.62 -4.23 -1.26 -3.24 115.64 109.90 3kni s THR 165 Ca -0.15 0.10 -0.22 0.00 -1.18 0.00 0.00 61.69 60.24 3kni s THR 165 Cb 0.02 -3.13 -0.14 0.00 1.34 0.00 0.00 72.50 70.59 3kni s THR 165 CO 0.23 -0.17 0.97 0.44 -0.54 0.00 0.00 174.62 175.55 3kni h ASP 166 N -0.91 -0.44 -0.13 3.99 3.45 -1.77 -2.42 116.42 118.20 3kni h ASP 166 Ca -0.46 -0.12 0.01 0.00 0.43 0.00 0.00 57.03 56.89 3kni h ASP 166 Cb 1.31 0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 40.17 3kni h ASP 166 CO 0.65 -0.01 -0.09 -0.33 -1.57 0.00 0.00 179.24 177.89 3kni h GLU 167 N -0.98 -0.02 -0.84 3.56 3.07 -1.95 2.56 114.58 119.98 3kni h GLU 167 Ca -0.05 0.00 0.33 0.00 -0.50 0.00 0.00 59.36 59.14 3kni h GLU 167 Cb 0.53 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.30 3kni h GLU 167 CO 0.09 -0.01 0.37 0.39 -1.40 0.00 0.00 179.01 178.44 3kni n GLU 168 N -3.28 -0.05 0.15 2.33 1.02 -1.25 0.86 120.64 120.42 3kni n GLU 168 Ca 0.00 1.17 -0.07 0.00 -0.02 0.00 0.00 57.16 58.24 3kni n GLU 168 Cb 0.04 -2.06 -0.03 0.00 -0.02 0.00 0.00 31.44 29.37 3kni n GLU 168 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kni h ALA 169 N 1.67 -0.49 -0.38 0.62 0.00 0.38 -3.13 119.26 117.92 3kni h ALA 169 Ca 0.67 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.56 3kni h ALA 169 Cb 1.72 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.60 3kni h ALA 169 CO -0.67 -0.46 -0.36 -0.09 0.00 0.00 0.00 179.25 177.67 3kni h ARG 170 N -1.04 -0.28 -0.88 0.00 9.65 0.72 0.88 114.38 123.44 3kni h ARG 170 Ca -0.05 0.02 0.18 0.00 -1.10 0.00 0.00 59.98 59.03 3kni h ARG 170 Cb 0.35 0.06 -0.17 0.00 -1.39 0.00 0.00 29.97 28.83 3kni h ARG 170 CO 0.08 -0.18 -0.22 0.00 2.80 0.00 0.00 179.97 182.45 3kni h ALA 171 N 0.64 0.58 -2.47 2.80 0.00 0.33 0.86 119.26 122.01 3kni h ALA 171 Ca 0.16 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3kni h ALA 171 Cb 0.56 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3kni h ALA 171 CO -0.54 -0.40 0.00 -0.11 0.00 0.00 0.00 179.25 178.21 3kni n LEU 172 N -5.56 0.00 -0.37 0.00 7.94 0.25 -0.11 117.00 119.16 3kni n LEU 172 Ca 0.13 0.59 -0.01 0.00 -1.11 0.00 0.00 56.01 55.61 3kni n LEU 172 Cb 0.44 -0.09 0.04 0.00 0.53 0.00 0.00 43.42 44.35 3kni n LEU 172 CO -0.06 -0.09 0.57 0.18 -1.11 0.00 0.00 177.39 176.88 3kni n LEU 173 N -0.95 -0.62 -0.21 -1.96 4.77 -0.83 0.25 117.00 117.45 3kni n LEU 173 Ca 0.00 1.68 0.24 0.00 -0.03 0.00 0.00 56.01 57.90 3kni n LEU 173 Cb 0.00 -0.39 0.61 0.00 -2.33 0.00 0.00 43.42 41.31 3kni n LEU 173 CO 0.00 -1.52 1.24 -0.08 -1.33 0.00 0.00 177.39 175.70 3kni h GLU 174 N 0.00 0.20 -0.01 3.23 4.81 0.87 0.45 114.58 124.14 3kni h GLU 174 Ca 0.34 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.41 3kni h GLU 174 Cb 0.58 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 3kni h GLU 174 CO -0.96 0.13 -0.70 -0.07 -0.73 0.00 0.00 179.01 176.69 3kni h LEU 175 N 0.21 0.05 0.00 1.64 4.07 0.68 -3.14 115.31 118.82 3kni h LEU 175 Ca 0.45 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.38 3kni h LEU 175 Cb 1.43 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.16 3kni h LEU 175 CO -0.10 0.73 -0.36 -0.07 -1.08 0.00 0.00 178.44 177.56 3kni h LEU 176 N 0.03 0.00 0.00 1.67 4.07 0.78 -3.45 115.31 118.41 3kni h LEU 176 Ca -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3kni h LEU 176 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 3kni h LEU 176 CO 0.09 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 178.08 3kni n GLY 177 N 1.21 0.76 3.24 0.83 0.00 -0.59 -5.07 105.19 105.57 3kni n GLY 177 Ca 0.03 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3kni n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kni s PHE 178 N -0.49 3.97 -0.42 1.61 0.40 -1.19 -4.93 117.98 116.94 3kni s PHE 178 Ca 0.00 -2.66 -0.04 0.00 -0.60 0.00 0.00 56.93 53.64 3kni s PHE 178 Cb 0.00 -3.59 -0.14 0.00 0.51 0.00 0.00 43.02 39.79 3kni s PHE 178 CO 0.00 -0.88 1.14 -2.30 0.70 0.00 0.00 175.22 173.87 3kni n PRO 179 N 2.92 0.00 -3.03 0.24 -0.02 -1.26 -4.75 135.00 129.10 3kni n PRO 179 Ca 0.19 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.28 3kni n PRO 179 Cb 0.40 -0.65 -0.05 0.00 -0.02 0.00 0.00 33.50 33.17 3kni n PRO 179 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3kni s PHE 180 N 0.00 3.76 -0.20 6.00 2.99 -1.26 0.11 117.98 129.38 3kni s PHE 180 Ca 0.55 1.45 -0.01 0.00 0.00 0.00 0.00 56.93 58.93 3kni s PHE 180 Cb -0.36 -2.77 0.13 0.00 0.00 0.00 0.00 43.02 40.02 3kni s PHE 180 CO 0.24 0.34 2.05 -2.13 -0.00 0.00 0.00 175.22 175.72 3kni n ARG 181 N 2.55 1.53 0.00 0.44 0.63 -1.17 -4.54 116.66 116.10 3kni n ARG 181 Ca -0.04 -1.00 0.00 0.00 -0.92 0.00 0.00 57.85 55.89 3kni n ARG 181 Cb 0.50 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 32.00 3kni n ARG 181 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29