#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni s ARG 3 N 0.00 3.49 -0.35 -0.52 3.52 -1.26 -5.09 118.95 118.75 3kni s ARG 3 Ca 0.00 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.18 3kni s ARG 3 Cb 0.00 -2.80 0.14 0.00 -1.56 0.00 0.00 34.95 30.73 3kni s ARG 3 CO 0.00 0.34 0.29 0.00 -0.81 0.00 0.00 175.30 175.12 3kni s ALA 4 N -2.01 0.10 0.74 6.12 0.00 -1.26 -5.14 121.76 120.31 3kni s ALA 4 Ca 0.38 -1.21 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 3kni s ALA 4 Cb -0.10 -1.82 0.04 0.00 0.00 0.00 0.00 23.12 21.24 3kni s ALA 4 CO 0.31 -2.04 1.20 -1.59 0.00 0.00 0.00 175.76 173.63 3kni s LYS 5 N 1.47 2.11 0.28 0.00 -2.85 -1.26 -4.89 119.74 114.59 3kni s LYS 5 Ca 0.16 1.72 0.01 0.00 -1.00 0.00 0.00 55.97 56.86 3kni s LYS 5 Cb -0.18 -1.83 0.64 0.00 -2.06 0.00 0.00 37.83 34.40 3kni s LYS 5 CO -0.08 -1.85 1.68 1.15 0.10 0.00 0.00 175.35 176.35 3kni h THR 6 N -0.38 0.45 0.00 3.79 2.02 -2.05 -3.45 112.91 113.29 3kni h THR 6 Ca -0.47 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3kni h THR 6 Cb 1.29 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3kni h THR 6 CO 0.49 0.06 0.00 0.61 0.37 0.00 0.00 175.52 177.05 3kni n GLY 7 N -1.35 3.14 0.00 2.16 0.00 -1.26 -4.01 105.19 103.87 3kni n GLY 7 Ca 0.19 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3kni n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kni n VAL 8 N 0.00 0.00 0.00 1.61 0.31 -1.26 -4.69 118.33 114.30 3kni n VAL 8 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 3kni n VAL 8 Cb 0.00 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 3kni n VAL 8 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3kni n VAL 9 N -0.83 0.00 0.00 2.52 0.31 -1.26 -1.98 118.33 117.08 3kni n VAL 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kni n VAL 9 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kni n VAL 9 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3kni n ARG 10 N 0.00 0.00 -0.33 5.55 0.63 -1.26 -1.57 116.66 119.69 3kni n ARG 10 Ca 0.00 0.66 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 3kni n ARG 10 Cb 0.00 -1.02 0.05 0.00 0.45 0.00 0.00 32.46 31.94 3kni n ARG 10 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3kni n ARG 11 N -2.45 -0.18 -0.04 -0.14 0.63 -0.84 0.29 116.66 113.93 3kni n ARG 11 Ca 0.00 1.32 -0.09 0.00 -0.92 0.00 0.00 57.85 58.16 3kni n ARG 11 Cb 0.00 -1.96 -0.03 0.00 0.45 0.00 0.00 32.46 30.93 3kni n ARG 11 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kni h ARG 12 N 0.00 0.09 -0.24 -0.14 3.08 -1.44 0.68 114.38 116.41 3kni h ARG 12 Ca 0.32 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.41 3kni h ARG 12 Cb 0.53 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.48 3kni h ARG 12 CO -0.85 0.06 -0.40 0.87 -1.07 0.00 0.00 179.97 178.57 3kni h LYS 13 N 0.09 -0.39 -1.03 0.04 1.57 0.44 0.85 116.57 118.14 3kni h LYS 13 Ca 0.09 0.03 0.26 0.00 -1.87 0.00 0.00 60.65 59.16 3kni h LYS 13 Cb 0.10 0.09 -0.12 0.00 0.08 0.00 0.00 32.23 32.38 3kni h LYS 13 CO -0.14 -0.26 0.63 0.45 -0.57 0.00 0.00 179.45 179.56 3kni h HIS 14 N -0.41 0.88 0.01 -1.35 3.86 0.80 0.75 115.15 119.70 3kni h HIS 14 Ca 0.11 0.03 -0.24 0.00 -1.16 0.00 0.00 60.37 59.10 3kni h HIS 14 Cb 0.60 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 3kni h HIS 14 CO -0.52 0.04 -1.27 1.57 0.86 0.00 0.00 177.93 178.61 3kni h LYS 15 N 0.49 0.03 -1.09 2.45 -0.00 -0.11 -2.44 116.57 115.89 3kni h LYS 15 Ca 0.64 -0.04 0.30 0.00 -0.00 0.00 0.00 60.65 61.55 3kni h LYS 15 Cb 1.39 0.02 -0.10 0.00 -0.00 0.00 0.00 32.23 33.53 3kni h LYS 15 CO -0.42 0.85 0.71 -0.22 -0.00 0.00 0.00 179.45 180.36 3kni h LYS 16 N 0.01 0.31 0.00 0.07 3.64 0.16 0.65 116.57 121.41 3kni h LYS 16 Ca -0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3kni h LYS 16 Cb 1.87 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.62 3kni h LYS 16 CO 0.12 0.21 -0.12 0.82 -2.27 0.00 0.00 179.45 178.20 3kni h ILE 17 N 0.32 0.61 -0.47 2.00 1.08 -1.40 -3.19 117.51 116.47 3kni h ILE 17 Ca 0.64 -1.49 0.09 0.00 -0.39 0.00 0.00 64.86 63.71 3kni h ILE 17 Cb 1.73 1.19 -0.09 0.00 -3.07 0.00 0.00 36.82 36.57 3kni h ILE 17 CO -0.31 0.21 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.14 3kni h LEU 18 N -1.00 -0.51 -0.70 1.44 3.38 -0.78 0.48 115.31 117.62 3kni h LEU 18 Ca -0.02 0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.25 3kni h LEU 18 Cb 0.44 0.32 -0.12 0.00 0.09 0.00 0.00 40.66 41.38 3kni h LEU 18 CO -0.01 -0.18 -0.05 0.11 0.09 0.00 0.00 178.44 178.40 3kni h LYS 19 N -0.03 0.07 0.00 1.13 1.57 0.12 0.29 116.57 119.73 3kni h LYS 19 Ca 0.22 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3kni h LYS 19 Cb 0.37 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3kni h LYS 19 CO -0.50 0.05 0.00 1.28 -0.57 0.00 0.00 179.45 179.71 3kni n LEU 20 N -5.37 0.00 -1.34 2.94 7.99 0.16 -2.79 117.00 118.60 3kni n LEU 20 Ca 0.11 0.42 0.00 0.00 -0.01 0.00 0.00 56.01 56.53 3kni n LEU 20 Cb 0.41 -0.42 0.11 0.00 -0.11 0.00 0.00 43.42 43.40 3kni n LEU 20 CO 0.05 -0.35 0.20 0.00 -1.51 0.00 0.00 177.39 175.78 3kni n ALA 21 N -1.42 3.36 -1.96 -1.18 0.00 0.10 -5.03 120.51 114.38 3kni n ALA 21 Ca 0.02 -3.03 -0.40 0.00 0.00 0.00 0.00 53.44 50.03 3kni n ALA 21 Cb 0.05 -0.52 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 3kni n ALA 21 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kni s LYS 22 N -2.37 4.62 0.00 0.00 -0.14 -1.12 -3.68 119.74 117.05 3kni s LYS 22 Ca 0.38 1.21 0.00 0.00 -1.36 0.00 0.00 55.97 56.20 3kni s LYS 22 Cb 0.38 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 3kni s LYS 22 CO -0.08 0.55 0.00 0.41 -0.76 0.00 0.00 175.35 175.47 3kni n GLY 23 N 1.60 0.71 1.31 -3.33 0.00 -1.26 -5.10 105.19 99.12 3kni n GLY 23 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 3kni n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kni n TYR 24 N -1.07 -4.00 0.00 1.61 0.53 -1.24 -5.08 117.16 107.91 3kni n TYR 24 Ca 0.00 -0.40 0.00 0.00 -1.02 0.00 0.00 57.90 56.48 3kni n TYR 24 Cb 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 39.34 37.96 3kni n TYR 24 CO 0.00 0.00 0.00 1.87 -1.02 0.00 0.00 176.86 177.71 3kni n TRP 25 N -2.62 0.00 0.00 -0.72 -0.00 -1.26 -4.62 117.44 108.22 3kni n TRP 25 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.56 3kni n TRP 25 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.51 3kni n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3kni n GLY 26 N 5.00 0.00 0.38 5.87 0.00 -1.26 -3.53 105.19 111.65 3kni n GLY 26 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3kni n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kni n LEU 27 N 0.00 1.08 0.21 0.99 4.77 -1.26 -3.06 117.00 119.73 3kni n LEU 27 Ca 0.00 -0.54 0.16 0.00 -0.03 0.00 0.00 56.01 55.60 3kni n LEU 27 Cb 0.00 -0.14 0.81 0.00 -2.33 0.00 0.00 43.42 41.76 3kni n LEU 27 CO 0.00 0.26 1.14 0.03 -1.33 0.00 0.00 177.39 177.49 3kni h ARG 28 N 1.14 0.00 0.00 3.23 2.47 -1.90 2.21 114.38 121.52 3kni h ARG 28 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kni h ARG 28 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 3kni h ARG 28 CO 0.00 0.00 -0.03 -1.13 0.56 0.00 0.00 179.97 179.38 3kni n SER 29 N -3.95 2.07 0.00 7.04 3.41 -1.17 -3.63 113.62 117.39 3kni n SER 29 Ca 0.01 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.95 3kni n SER 29 Cb 0.28 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3kni n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kni n LYS 30 N -1.06 0.26 -2.73 4.33 4.76 0.48 -4.82 118.16 119.38 3kni n LYS 30 Ca 0.10 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.12 3kni n LYS 30 Cb 0.53 -0.55 -0.03 0.00 -1.84 0.00 0.00 35.03 33.14 3kni n LYS 30 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3kni s SER 31 N -1.74 7.06 0.00 4.39 1.04 0.72 -4.87 113.70 120.29 3kni s SER 31 Ca 0.00 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.74 3kni s SER 31 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 3kni s SER 31 CO 0.00 -0.58 0.00 2.22 0.98 0.00 0.00 173.24 175.86 3kni n PHE 32 N 5.94 0.00 0.00 5.02 -1.74 -1.26 -1.94 117.46 123.48 3kni n PHE 32 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.98 3kni n PHE 32 Cb 0.47 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.47 3kni n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 3kni n ARG 33 N 0.35 0.00 -0.05 3.97 1.85 -1.26 -4.80 116.66 116.72 3kni n ARG 33 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 3kni n ARG 33 Cb 0.00 -0.13 -0.02 0.00 -1.05 0.00 0.00 32.46 31.26 3kni n ARG 33 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3kni h LYS 34 N 0.00 0.13 0.00 2.89 1.79 -1.64 0.62 116.57 120.36 3kni h LYS 34 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3kni h LYS 34 Cb 0.00 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3kni h LYS 34 CO 0.00 0.08 0.00 0.00 -1.08 0.00 0.00 179.45 178.45 3kni n ALA 35 N -2.30 1.70 -0.13 3.86 0.00 -0.94 -0.73 120.51 121.96 3kni n ALA 35 Ca -0.02 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.13 3kni n ALA 35 Cb 0.10 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 3kni n ALA 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kni n ARG 36 N -0.83 0.57 -0.03 0.00 0.63 0.20 -2.93 116.66 114.27 3kni n ARG 36 Ca 0.03 0.23 0.21 0.00 -0.92 0.00 0.00 57.85 57.40 3kni n ARG 36 Cb 0.01 -1.44 0.68 0.00 0.45 0.00 0.00 32.46 32.16 3kni n ARG 36 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3kni h GLU 37 N -0.82 0.03 0.07 -0.14 5.08 0.81 -0.41 114.58 119.20 3kni h GLU 37 Ca -0.65 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.70 3kni h GLU 37 Cb 1.62 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.87 3kni h GLU 37 CO -0.36 0.02 -0.03 1.15 -1.00 0.00 0.00 179.01 178.78 3kni h THR 38 N 0.03 1.12 -0.06 1.13 2.02 -1.09 -3.22 112.91 112.84 3kni h THR 38 Ca 0.28 -1.53 0.02 0.00 0.77 0.00 0.00 66.41 65.95 3kni h THR 38 Cb 1.06 1.99 -0.00 0.00 -1.74 0.00 0.00 68.15 69.47 3kni h THR 38 CO -0.01 0.33 0.15 -0.07 0.37 0.00 0.00 175.52 176.29 3kni h LEU 39 N -0.88 0.00 0.00 2.58 3.38 -1.00 0.34 115.31 119.74 3kni h LEU 39 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kni h LEU 39 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3kni h LEU 39 CO 0.01 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.03 3kni n PHE 40 N -3.30 0.00 -0.28 1.13 0.99 -0.55 -2.41 117.46 113.04 3kni n PHE 40 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 3kni n PHE 40 Cb 0.23 -0.34 0.04 0.00 -1.00 0.00 0.00 39.48 38.41 3kni n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kni n ALA 41 N -1.53 -0.05 -1.00 4.37 0.00 -0.88 -0.79 120.51 120.63 3kni n ALA 41 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 53.44 54.18 3kni n ALA 41 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3kni n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kni n ALA 42 N -3.63 0.00 -0.08 0.00 0.00 0.12 -0.99 120.51 115.92 3kni n ALA 42 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.60 3kni n ALA 42 Cb 0.31 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.87 3kni n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kni n GLY 43 N 0.00 -0.17 0.07 0.00 0.00 -1.01 0.34 105.19 104.42 3kni n GLY 43 Ca 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3kni n GLY 43 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3kni h ASN 44 N 0.00 0.08 -0.59 1.61 -0.73 -0.67 -3.20 115.58 112.08 3kni h ASN 44 Ca 0.13 -0.45 0.11 0.00 1.87 0.00 0.00 56.30 57.96 3kni h ASN 44 Cb 0.65 -0.02 -0.09 0.00 0.27 0.00 0.00 38.32 39.13 3kni h ASN 44 CO -0.00 0.52 0.10 1.88 -0.37 0.00 0.00 177.43 179.55 3kni h TYR 45 N -0.36 0.15 -1.00 0.67 0.99 0.74 -1.44 116.97 116.72 3kni h TYR 45 Ca 0.01 0.04 0.16 0.00 2.00 0.00 0.00 58.73 60.94 3kni h TYR 45 Cb 0.49 0.02 -0.10 0.00 1.00 0.00 0.00 36.73 38.15 3kni h TYR 45 CO 0.08 -0.06 0.62 0.00 -0.00 0.00 0.00 178.16 178.80 3kni h ALA 46 N 1.49 1.60 -0.47 3.88 0.00 -1.57 0.71 119.26 124.90 3kni h ALA 46 Ca 0.31 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3kni h ALA 46 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kni h ALA 46 CO -0.42 0.06 0.31 -0.92 0.00 0.00 0.00 179.25 178.28 3kni h TYR 47 N 0.85 0.59 0.04 0.00 3.20 -1.25 -0.37 116.97 120.03 3kni h TYR 47 Ca 0.55 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.43 3kni h TYR 47 Cb 0.73 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3kni h TYR 47 CO -0.01 0.37 -0.02 0.00 -1.64 0.00 0.00 178.16 176.87 3kni h ALA 48 N 1.17 -0.06 -0.14 1.82 0.00 -1.13 -3.23 119.26 117.69 3kni h ALA 48 Ca 0.17 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3kni h ALA 48 Cb -0.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kni h ALA 48 CO -0.04 -0.18 0.20 0.45 0.00 0.00 0.00 179.25 179.68 3kni h HIS 49 N -0.76 0.00 -0.22 0.00 3.86 0.43 1.03 115.15 119.50 3kni h HIS 49 Ca -0.01 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.08 3kni h HIS 49 Cb 0.64 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 3kni h HIS 49 CO 0.15 0.00 -0.39 0.00 0.86 0.00 0.00 177.93 178.55 3kni h ARG 50 N 0.00 0.50 0.26 2.45 3.08 -1.10 0.30 114.38 119.87 3kni h ARG 50 Ca 0.07 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 3kni h ARG 50 Cb 0.46 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3kni h ARG 50 CO -0.00 0.81 -0.13 0.87 -1.07 0.00 0.00 179.97 180.46 3kni h LYS 51 N 0.42 -0.34 -0.77 0.04 1.79 0.89 -2.99 116.57 115.61 3kni h LYS 51 Ca 0.04 0.02 0.13 0.00 -2.18 0.00 0.00 60.65 58.66 3kni h LYS 51 Cb 0.87 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.54 3kni h LYS 51 CO 0.07 -0.03 0.51 0.00 -1.08 0.00 0.00 179.45 178.92 3kni h ARG 52 N -0.98 0.53 -0.13 3.15 2.47 -0.47 -2.40 114.38 116.56 3kni h ARG 52 Ca -0.04 -0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.69 3kni h ARG 52 Cb 0.46 -0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 28.60 3kni h ARG 52 CO 0.06 0.35 -0.44 -0.09 0.56 0.00 0.00 179.97 180.42 3kni h ARG 53 N 0.55 -0.49 -0.71 0.04 2.43 -0.29 2.19 114.38 118.11 3kni h ARG 53 Ca 0.37 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.67 3kni h ARG 53 Cb 0.68 0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 30.23 3kni h ARG 53 CO -0.14 -0.33 -0.48 0.87 -1.51 0.00 0.00 179.97 178.39 3kni h LYS 54 N -0.51 -0.16 0.00 0.20 1.79 -1.29 -0.80 116.57 115.80 3kni h LYS 54 Ca 0.07 0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.46 3kni h LYS 54 Cb 0.64 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 3kni h LYS 54 CO -0.40 -0.11 -0.42 0.07 -1.08 0.00 0.00 179.45 177.50 3kni h ARG 55 N -0.17 0.00 -0.16 3.15 0.11 -1.31 -2.36 114.38 113.64 3kni h ARG 55 Ca 0.18 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.22 3kni h ARG 55 Cb 0.54 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 3kni h ARG 55 CO -0.77 0.42 -0.12 -0.44 0.10 0.00 0.00 179.97 179.16 3kni h ASP 56 N 0.00 0.24 0.04 0.08 3.32 0.46 -3.05 116.42 117.51 3kni h ASP 56 Ca -0.00 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 3kni h ASP 56 Cb 1.14 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.64 3kni h ASP 56 CO 0.06 0.39 -0.29 -0.26 -1.72 0.00 0.00 179.24 177.41 3kni h PHE 57 N 0.24 0.22 -0.52 4.55 -1.00 -1.06 -3.33 116.94 116.04 3kni h PHE 57 Ca 0.05 -0.15 0.05 0.00 2.81 0.00 0.00 57.97 60.73 3kni h PHE 57 Cb 0.37 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 39.85 3kni h PHE 57 CO 0.01 1.07 -0.31 0.54 -1.61 0.00 0.00 178.31 178.01 3kni n ARG 58 N -4.45 -0.23 0.00 1.51 1.74 -0.90 -1.68 116.66 112.65 3kni n ARG 58 Ca -0.11 1.19 0.00 0.00 -0.77 0.00 0.00 57.85 58.16 3kni n ARG 58 Cb 0.58 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3kni n ARG 58 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kni n ARG 59 N -4.19 0.00 -0.00 5.56 1.74 -1.21 -2.04 116.66 116.52 3kni n ARG 59 Ca 0.01 0.92 -0.00 0.00 -0.77 0.00 0.00 57.85 58.01 3kni n ARG 59 Cb 0.14 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3kni n ARG 59 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3kni n LEU 60 N -2.80 -0.01 0.00 0.55 0.00 -0.67 0.12 117.00 114.19 3kni n LEU 60 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 56.01 56.18 3kni n LEU 60 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 43.42 43.34 3kni n LEU 60 CO 0.00 -0.09 0.45 0.79 0.00 0.00 0.00 177.39 178.55 3kni n TRP 61 N -2.27 0.00 -0.04 1.96 8.01 -0.95 -0.99 117.44 123.16 3kni n TRP 61 Ca 0.00 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.18 3kni n TRP 61 Cb 0.00 -0.41 -0.01 0.00 -2.01 0.00 0.00 31.31 28.89 3kni n TRP 61 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.69 175.79 3kni n ILE 62 N -2.44 -0.07 -0.38 -0.99 5.41 0.33 0.25 119.36 121.48 3kni n ILE 62 Ca 0.00 0.89 0.30 0.00 1.00 0.00 0.00 62.75 64.94 3kni n ILE 62 Cb 0.00 -1.16 0.57 0.00 -0.71 0.00 0.00 39.64 38.34 3kni n ILE 62 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3kni h VAL 63 N 0.00 0.28 0.20 1.39 2.07 0.27 1.64 116.25 122.10 3kni h VAL 63 Ca 0.02 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3kni h VAL 63 Cb 0.04 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 3kni h VAL 63 CO -0.10 0.04 -0.09 0.03 0.02 0.00 0.00 177.57 177.47 3kni h ARG 64 N 0.23 -0.25 0.00 1.57 3.08 0.52 -3.02 114.38 116.50 3kni h ARG 64 Ca 0.73 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.80 3kni h ARG 64 Cb 2.06 0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.16 3kni h ARG 64 CO -0.42 -0.03 0.00 -0.89 -1.07 0.00 0.00 179.97 177.55 3kni n ILE 65 N -5.13 0.00 -0.07 2.04 5.41 0.55 -1.41 119.36 120.75 3kni n ILE 65 Ca -0.09 1.39 0.21 0.00 1.00 0.00 0.00 62.75 65.25 3kni n ILE 65 Cb 0.19 -2.12 0.32 0.00 -0.71 0.00 0.00 39.64 37.32 3kni n ILE 65 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3kni n ASN 66 N -2.12 0.00 -1.50 4.38 5.15 -0.39 0.24 115.26 121.03 3kni n ASN 66 Ca 0.00 0.69 -0.10 0.00 -0.60 0.00 0.00 54.58 54.57 3kni n ASN 66 Cb 0.00 -0.19 0.20 0.00 -0.53 0.00 0.00 39.78 39.26 3kni n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kni n ALA 67 N -2.05 4.66 -1.59 5.20 0.00 -0.50 -3.39 120.51 122.84 3kni n ALA 67 Ca 0.17 -3.02 0.00 0.00 0.00 0.00 0.00 53.44 50.60 3kni n ALA 67 Cb 1.39 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3kni n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kni n ALA 68 N -1.07 1.04 0.00 0.00 0.00 0.67 -4.72 120.51 116.43 3kni n ALA 68 Ca 0.41 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3kni n ALA 68 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.67 3kni n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kni n ARG 70 N -0.54 1.06 -0.19 0.00 0.63 -1.16 -1.24 116.66 115.23 3kni n ARG 70 Ca 0.00 -0.08 0.12 0.00 -0.92 0.00 0.00 57.85 56.97 3kni n ARG 70 Cb 0.00 -1.46 0.23 0.00 0.45 0.00 0.00 32.46 31.68 3kni n ARG 70 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3kni n GLN 71 N -0.86 2.46 -2.91 -0.14 6.02 -1.26 -4.27 117.38 116.42 3kni n GLN 71 Ca 0.22 -2.21 -0.13 0.00 -0.01 0.00 0.00 57.00 54.87 3kni n GLN 71 Cb 0.12 -1.51 0.03 0.00 1.02 0.00 0.00 30.24 29.90 3kni n GLN 71 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3kni n HIS 72 N 1.42 -0.77 0.00 1.08 8.25 -0.37 -5.07 115.22 119.76 3kni n HIS 72 Ca 0.19 -2.96 0.00 0.00 -0.26 0.00 0.00 57.72 54.69 3kni n HIS 72 Cb 0.59 0.37 0.00 0.00 1.12 0.00 0.00 29.99 32.07 3kni n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kni n GLY 73 N 0.14 1.06 2.22 -1.41 0.00 -1.22 -4.91 105.19 101.08 3kni n GLY 73 Ca 0.14 0.38 -0.27 0.00 0.00 0.00 0.00 46.02 46.27 3kni n GLY 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3kni n LEU 74 N 0.00 -4.33 -3.89 0.99 -0.00 -1.23 -4.56 117.00 103.98 3kni n LEU 74 Ca 0.00 0.12 -0.29 0.00 -0.00 0.00 0.00 56.01 55.84 3kni n LEU 74 Cb 0.00 -0.55 -0.16 0.00 -0.00 0.00 0.00 43.42 42.71 3kni n LEU 74 CO 0.00 -4.30 -0.41 0.54 -0.00 0.00 0.00 177.39 173.21 3kni s ASN 75 N -0.74 3.36 0.00 1.45 4.22 -1.26 -2.97 114.94 119.01 3kni s ASN 75 Ca 0.29 -0.95 0.00 0.00 -2.14 0.00 0.00 52.86 50.06 3kni s ASN 75 Cb -0.12 -1.00 0.00 0.00 1.28 0.00 0.00 41.25 41.41 3kni s ASN 75 CO 0.61 -0.23 0.00 0.00 -2.04 0.00 0.00 177.10 175.44 3kni n TYR 76 N 4.80 0.00 0.05 1.54 9.36 -1.26 0.51 117.16 132.16 3kni n TYR 76 Ca -0.12 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 60.96 3kni n TYR 76 Cb 0.46 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.08 3kni n TYR 76 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3kni h SER 77 N 0.00 -1.48 0.19 2.98 4.64 -1.98 -0.07 113.55 117.83 3kni h SER 77 Ca 0.00 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3kni h SER 77 Cb 0.00 0.57 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 3kni h SER 77 CO 0.00 -0.49 -0.37 0.74 -0.87 0.00 0.00 176.83 175.84 3kni h THR 78 N -0.62 0.00 -0.80 2.95 2.02 -0.34 -2.54 112.91 113.57 3kni h THR 78 Ca 0.03 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.44 3kni h THR 78 Cb 0.69 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.95 3kni h THR 78 CO -0.35 0.00 0.05 0.33 0.37 0.00 0.00 175.52 175.92 3kni n PHE 79 N -4.58 0.55 0.11 3.16 7.35 -0.96 -2.10 117.46 120.99 3kni n PHE 79 Ca -0.07 0.97 -0.05 0.00 -0.76 0.00 0.00 57.45 57.54 3kni n PHE 79 Cb 0.31 -1.13 -0.02 0.00 0.35 0.00 0.00 39.48 38.99 3kni n PHE 79 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3kni h ILE 80 N 0.00 0.00 -0.83 -2.13 1.08 -0.59 -3.14 117.51 111.91 3kni h ILE 80 Ca 0.50 -0.04 0.15 0.00 -0.39 0.00 0.00 64.86 65.08 3kni h ILE 80 Cb 1.07 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.68 3kni h ILE 80 CO -0.75 0.00 -0.27 1.57 -0.69 0.00 0.00 178.15 178.02 3kni n HIS 81 N -2.91 0.16 0.25 1.37 -0.00 -0.89 0.80 115.22 113.99 3kni n HIS 81 Ca -0.04 1.02 0.09 0.00 0.46 0.00 0.00 57.72 59.25 3kni n HIS 81 Cb 0.12 -0.89 0.65 0.00 -0.12 0.00 0.00 29.99 29.74 3kni n HIS 81 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3kni h GLY 82 N 0.00 0.00 0.67 1.57 0.00 -1.59 1.10 103.07 104.82 3kni h GLY 82 Ca 0.34 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.52 3kni h GLY 82 CO -0.84 0.00 -0.63 -2.00 0.00 0.00 0.00 176.54 173.07 3kni h LEU 83 N 0.00 0.45 -1.42 3.11 5.85 0.44 0.57 115.31 124.32 3kni h LEU 83 Ca -0.00 -0.85 -0.04 0.00 0.84 0.00 0.00 57.88 57.83 3kni h LEU 83 Cb 0.22 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3kni h LEU 83 CO 0.01 1.26 0.00 0.50 -0.34 0.00 0.00 178.44 179.87 3kni h LYS 84 N -0.30 0.38 0.17 1.25 1.63 -0.18 0.31 116.57 119.82 3kni h LYS 84 Ca -0.10 -0.07 -0.25 0.00 -0.85 0.00 0.00 60.65 59.39 3kni h LYS 84 Cb 1.40 -0.06 0.03 0.00 -0.60 0.00 0.00 32.23 33.00 3kni h LYS 84 CO 0.12 0.41 -1.09 -0.22 -3.45 0.00 0.00 179.45 175.22 3kni h LYS 85 N 0.37 0.44 0.00 1.90 3.64 0.13 -3.14 116.57 119.91 3kni h LYS 85 Ca 0.08 -0.70 -0.01 0.00 -1.27 0.00 0.00 60.65 58.76 3kni h LYS 85 Cb 0.25 0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3kni h LYS 85 CO 0.01 1.32 -0.03 0.00 -2.27 0.00 0.00 179.45 178.48 3kni h ALA 86 N 0.16 1.06 0.00 5.00 0.00 0.89 -3.46 119.26 122.91 3kni h ALA 86 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kni h ALA 86 Cb 1.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3kni h ALA 86 CO 0.21 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.90 3kni n GLY 87 N -0.58 1.31 2.96 0.00 0.00 0.90 -5.04 105.19 104.74 3kni n GLY 87 Ca -0.01 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3kni n GLY 87 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kni s ILE 88 N -2.00 2.90 -1.99 -0.61 -4.36 -0.17 -4.84 121.20 110.13 3kni s ILE 88 Ca 0.00 -3.58 0.00 0.00 -0.26 0.00 0.00 60.65 56.81 3kni s ILE 88 Cb 0.00 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.76 3kni s ILE 88 CO 0.00 -0.88 0.74 -1.84 0.24 0.00 0.00 174.94 173.20 3kni n GLU 89 N 2.79 0.74 0.00 0.37 0.28 -1.26 -4.55 120.64 119.01 3kni n GLU 89 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 3kni n GLU 89 Cb 0.34 -1.00 0.00 0.00 1.43 0.00 0.00 31.44 32.20 3kni n GLU 89 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3kni n VAL 90 N -0.49 0.00 0.00 3.84 0.31 -1.26 -3.97 118.33 116.75 3kni n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kni n VAL 90 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kni n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3kni n ASP 91 N 0.00 0.00 -2.72 4.52 4.64 -1.26 -4.60 116.55 117.12 3kni n ASP 91 Ca 0.00 0.00 -0.19 0.00 -1.38 0.00 0.00 54.79 53.22 3kni n ASP 91 Cb 0.00 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 40.09 3kni n ASP 91 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 3kni n ARG 92 N 0.00 -0.99 0.00 -0.67 -4.01 -1.26 -0.90 116.66 108.83 3kni n ARG 92 Ca 0.00 0.64 0.00 0.00 -1.04 0.00 0.00 57.85 57.45 3kni n ARG 92 Cb 0.00 -1.15 0.00 0.00 -3.04 0.00 0.00 32.46 28.27 3kni n ARG 92 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 3kni n LYS 93 N -0.72 0.00 0.14 2.89 4.01 -1.26 -2.64 118.16 120.58 3kni n LYS 93 Ca -0.10 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.57 3kni n LYS 93 Cb 0.39 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.84 3kni n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 3kni h ASN 94 N 0.00 -1.07 -0.09 4.39 -0.73 -1.94 -3.08 115.58 113.07 3kni h ASN 94 Ca 0.00 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.27 3kni h ASN 94 Cb 0.00 0.38 0.00 0.00 0.27 0.00 0.00 38.32 38.97 3kni h ASN 94 CO 0.00 -0.43 0.00 0.18 -0.37 0.00 0.00 177.43 176.81 3kni n LEU 95 N -4.59 1.67 -0.04 0.34 4.77 -0.08 -3.53 117.00 115.54 3kni n LEU 95 Ca -0.07 -0.84 0.14 0.00 -0.03 0.00 0.00 56.01 55.21 3kni n LEU 95 Cb 0.31 -0.50 0.65 0.00 -2.33 0.00 0.00 43.42 41.55 3kni n LEU 95 CO 0.15 0.30 0.92 0.00 -1.33 0.00 0.00 177.39 177.43 3kni n ALA 96 N 0.08 2.63 0.17 -1.18 0.00 -1.14 -3.59 120.51 117.47 3kni n ALA 96 Ca 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.32 3kni n ALA 96 Cb 0.38 -1.41 0.17 0.00 0.00 0.00 0.00 19.45 18.59 3kni n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kni n ASP 97 N -1.22 0.16 -0.27 0.00 5.75 -1.23 0.10 116.55 119.84 3kni n ASP 97 Ca 0.13 0.39 0.07 0.00 -0.01 0.00 0.00 54.79 55.37 3kni n ASP 97 Cb 0.28 -0.23 0.22 0.00 -1.03 0.00 0.00 41.12 40.35 3kni n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3kni h LEU 98 N 0.00 0.24 -1.37 -2.12 3.38 -1.67 0.69 115.31 114.46 3kni h LEU 98 Ca 0.00 0.13 0.41 0.00 0.09 0.00 0.00 57.88 58.51 3kni h LEU 98 Cb 1.09 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 3kni h LEU 98 CO 0.00 0.05 0.81 0.00 0.09 0.00 0.00 178.44 179.39 3kni h ALA 99 N 1.60 2.63 0.03 1.53 0.00 0.49 -0.83 119.26 124.71 3kni h ALA 99 Ca 0.45 0.12 -0.39 0.00 0.00 0.00 0.00 54.91 55.10 3kni h ALA 99 Cb 0.75 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 3kni h ALA 99 CO -0.46 -1.25 -2.25 0.28 0.00 0.00 0.00 179.25 175.57 3kni n VAL 100 N -4.73 1.57 -3.75 0.00 0.31 0.16 -4.33 118.33 107.57 3kni n VAL 100 Ca 0.36 -0.48 -0.38 0.00 -0.01 0.00 0.00 64.34 63.84 3kni n VAL 100 Cb 1.36 -1.68 -0.12 0.00 -0.91 0.00 0.00 33.84 32.49 3kni n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3kni s ARG 101 N -2.51 2.45 0.00 5.55 0.52 0.19 -4.59 118.95 120.56 3kni s ARG 101 Ca -0.33 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 53.48 3kni s ARG 101 Cb 0.10 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 32.05 3kni s ARG 101 CO 0.61 -0.82 0.00 0.39 0.02 0.00 0.00 175.30 175.50 3kni n GLU 102 N 4.76 0.00 0.05 3.54 -0.58 -1.12 -3.90 120.64 123.40 3kni n GLU 102 Ca -0.10 0.06 0.10 0.00 -0.42 0.00 0.00 57.16 56.80 3kni n GLU 102 Cb 0.43 -1.20 0.42 0.00 -0.57 0.00 0.00 31.44 30.53 3kni n GLU 102 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3kni n PRO 103 N -1.14 0.09 0.21 3.49 -0.04 -1.06 -2.21 135.00 134.34 3kni n PRO 103 Ca 0.00 0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.83 3kni n PRO 103 Cb 0.40 -1.66 0.36 0.00 -0.04 0.00 0.00 33.50 32.57 3kni n PRO 103 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 3kni h GLN 104 N 0.00 0.00 0.18 0.54 -0.00 -1.93 0.27 115.11 114.18 3kni h GLN 104 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.36 3kni h GLN 104 Cb 0.37 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.87 3kni h GLN 104 CO 0.00 0.23 -1.39 0.28 -0.00 0.00 0.00 178.83 177.95 3kni h VAL 105 N 0.00 1.19 -0.90 1.86 2.07 -1.79 -3.11 116.25 115.57 3kni h VAL 105 Ca -0.00 -2.55 0.10 0.00 0.82 0.00 0.00 66.70 65.07 3kni h VAL 105 Cb 0.88 2.94 -0.07 0.00 -1.52 0.00 0.00 31.29 33.52 3kni h VAL 105 CO 0.03 0.78 0.58 0.15 0.02 0.00 0.00 177.57 179.13 3kni h PHE 106 N -0.08 0.96 -0.45 1.57 3.57 -1.45 -0.48 116.94 120.60 3kni h PHE 106 Ca -0.27 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.30 3kni h PHE 106 Cb 1.95 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 40.32 3kni h PHE 106 CO 0.14 0.44 -0.26 0.00 -2.23 0.00 0.00 178.31 176.39 3kni n ALA 107 N -2.40 -0.29 -0.27 2.41 0.00 0.06 -0.92 120.51 119.10 3kni n ALA 107 Ca 0.15 0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.97 3kni n ALA 107 Cb 0.31 0.15 0.12 0.00 0.00 0.00 0.00 19.45 20.03 3kni n ALA 107 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kni h GLU 108 N 0.00 0.81 -0.63 0.00 5.08 -1.14 0.46 114.58 119.15 3kni h GLU 108 Ca 0.07 -0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.54 3kni h GLU 108 Cb 0.18 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3kni h GLU 108 CO -0.42 0.54 0.44 -0.07 -1.00 0.00 0.00 179.01 178.50 3kni h LEU 109 N 0.83 0.15 -0.42 1.33 3.38 -0.79 0.71 115.31 120.50 3kni h LEU 109 Ca 0.34 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.25 3kni h LEU 109 Cb 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kni h LEU 109 CO -0.18 0.08 -0.01 0.58 0.09 0.00 0.00 178.44 178.99 3kni h VAL 110 N 0.15 1.26 0.00 1.22 2.07 0.15 0.10 116.25 121.22 3kni h VAL 110 Ca 0.30 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3kni h VAL 110 Cb 0.99 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3kni h VAL 110 CO -0.05 0.36 0.00 -0.62 0.02 0.00 0.00 177.57 177.28 3kni n GLU 111 N -4.40 0.00 -0.18 1.57 -0.58 0.21 -1.52 120.64 115.74 3kni n GLU 111 Ca -0.01 0.34 0.12 0.00 -0.42 0.00 0.00 57.16 57.20 3kni n GLU 111 Cb 0.30 -1.25 0.23 0.00 -0.57 0.00 0.00 31.44 30.15 3kni n GLU 111 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kni n ARG 112 N -1.52 -0.04 -0.04 3.49 5.12 0.82 -0.07 116.66 124.42 3kni n ARG 112 Ca 0.00 0.78 -0.16 0.00 -1.93 0.00 0.00 57.85 56.54 3kni n ARG 112 Cb 0.00 -1.31 -0.07 0.00 -1.16 0.00 0.00 32.46 29.92 3kni n ARG 112 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kni h ALA 113 N 1.08 0.29 0.00 7.54 0.00 -0.66 -2.19 119.26 125.33 3kni h ALA 113 Ca 0.39 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kni h ALA 113 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kni h ALA 113 CO -0.47 0.56 -0.58 0.36 0.00 0.00 0.00 179.25 179.12 3kni n LYS 114 N -4.07 0.23 0.04 0.00 2.85 0.74 -3.20 118.16 114.74 3kni n LYS 114 Ca -0.07 0.07 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 3kni n LYS 114 Cb 0.66 -1.64 0.22 0.00 -0.65 0.00 0.00 35.03 33.62 3kni n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kni n ALA 115 N -1.75 3.11 1.38 0.58 0.00 0.90 -1.76 120.51 122.97 3kni n ALA 115 Ca 0.04 -0.28 0.14 0.00 0.00 0.00 0.00 53.44 53.34 3kni n ALA 115 Cb 0.42 -1.17 0.64 0.00 0.00 0.00 0.00 19.45 19.34 3kni n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kni n ALA 116 N -1.70 2.70 -3.52 0.00 0.00 -0.83 -4.58 120.51 112.58 3kni n ALA 116 Ca 0.04 -0.23 -0.35 0.00 0.00 0.00 0.00 53.44 52.91 3kni n ALA 116 Cb 0.40 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.33 3kni n ALA 116 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3kni s GLN 117 N -2.54 3.34 0.00 0.00 -1.52 -0.72 -4.87 119.66 113.35 3kni s GLN 117 Ca 0.28 -0.65 0.31 0.00 -1.95 0.00 0.00 55.36 53.35 3kni s GLN 117 Cb 0.20 -2.93 1.77 0.00 -0.22 0.00 0.00 33.01 31.83 3kni s GLN 117 CO 0.48 -0.16 2.15 0.41 -0.25 0.00 0.00 175.29 177.93