#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hik n LYS 2 N 0.00 0.57 -1.59 -1.40 4.76 -1.26 -4.52 118.16 114.72 1hik n LYS 2 Ca 0.00 0.24 -0.35 0.00 -2.87 0.00 0.00 58.31 55.33 1hik n LYS 2 Cb 0.00 -1.45 0.04 0.00 -1.84 0.00 0.00 35.03 31.78 1hik n LYS 2 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hik s ASP 4 N -1.10 6.50 0.26 0.00 -1.08 -1.26 -4.95 116.67 115.04 1hik s ASP 4 Ca 0.56 0.95 0.20 0.00 -0.52 0.00 0.00 52.55 53.75 1hik s ASP 4 Cb 0.44 -2.25 0.98 0.00 -1.46 0.00 0.00 42.92 40.64 1hik s ASP 4 CO -0.22 -0.29 1.62 2.30 0.52 0.00 0.00 175.17 179.09 1hik n ILE 5 N -1.05 1.03 -0.07 4.11 -6.64 -1.26 -0.95 119.36 114.52 1hik n ILE 5 Ca 0.01 0.50 0.19 0.00 -1.77 0.00 0.00 62.75 61.68 1hik n ILE 5 Cb 0.54 -1.46 0.63 0.00 -1.44 0.00 0.00 39.64 37.91 1hik n ILE 5 CO 0.00 0.00 0.00 0.74 -1.77 0.00 0.00 176.55 175.52 1hik h THR 6 N 0.00 0.74 -0.20 7.28 2.02 -1.96 -1.76 112.91 119.02 1hik h THR 6 Ca 0.00 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1hik h THR 6 Cb 0.16 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1hik h THR 6 CO 0.00 0.02 0.06 -0.07 0.37 0.00 0.00 175.52 175.91 1hik h LEU 7 N 0.14 0.30 -1.53 2.58 3.38 -1.38 -0.88 115.31 117.91 1hik h LEU 7 Ca 0.31 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1hik h LEU 7 Cb 1.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1hik h LEU 7 CO -0.04 0.43 -0.24 -0.61 0.09 0.00 0.00 178.44 178.07 1hik h GLN 8 N 0.16 0.00 -0.20 1.13 5.75 -1.51 0.15 115.11 120.59 1hik h GLN 8 Ca 0.07 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.40 1hik h GLN 8 Cb 0.24 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1hik h GLN 8 CO -0.00 0.24 -0.54 0.93 -2.65 0.00 0.00 178.83 176.81 1hik h GLU 9 N 0.00 0.60 -0.29 1.69 4.39 -1.15 0.28 114.58 120.10 1hik h GLU 9 Ca -0.00 -0.37 -0.19 0.00 0.34 0.00 0.00 59.36 59.14 1hik h GLU 9 Cb 0.43 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1hik h GLU 9 CO 0.03 0.98 -0.54 0.82 -1.16 0.00 0.00 179.01 179.14 1hik h ILE 10 N 0.46 1.27 -0.38 3.13 2.04 -0.68 -2.72 117.51 120.63 1hik h ILE 10 Ca 0.01 -1.73 -0.09 0.00 1.00 0.00 0.00 64.86 64.06 1hik h ILE 10 Cb 1.09 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 1hik h ILE 10 CO 0.10 0.56 -0.14 0.40 0.00 0.00 0.00 178.15 179.08 1hik h ILE 11 N 0.66 1.25 -0.12 -0.67 2.04 -0.65 -0.04 117.51 119.98 1hik h ILE 11 Ca 0.01 -1.16 -0.17 0.00 1.00 0.00 0.00 64.86 64.55 1hik h ILE 11 Cb 1.16 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1hik h ILE 11 CO 0.12 0.39 -0.63 0.07 0.00 0.00 0.00 178.15 178.10 1hik h LYS 12 N 0.61 0.45 -0.12 2.37 2.10 -0.45 -0.24 116.57 121.30 1hik h LYS 12 Ca 0.10 -0.32 -0.19 0.00 -2.00 0.00 0.00 60.65 58.25 1hik h LYS 12 Cb 0.58 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1hik h LYS 12 CO 0.04 0.94 -0.70 1.15 -2.00 0.00 0.00 179.45 178.87 1hik h THR 13 N 0.33 1.34 -0.39 0.07 2.02 -1.14 -2.88 112.91 112.26 1hik h THR 13 Ca -0.01 -2.03 -0.02 0.00 0.77 0.00 0.00 66.41 65.12 1hik h THR 13 Cb 1.18 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 69.58 1hik h THR 13 CO 0.11 0.62 0.16 -0.07 0.37 0.00 0.00 175.52 176.71 1hik h LEU 14 N 0.37 0.54 -0.12 2.58 4.07 -0.82 -1.82 115.31 120.11 1hik h LEU 14 Ca -0.03 -0.16 0.04 0.00 0.08 0.00 0.00 57.88 57.81 1hik h LEU 14 Cb 1.29 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.84 1hik h LEU 14 CO 0.13 0.55 -0.14 0.78 -1.08 0.00 0.00 178.44 178.68 1hik h ASN 15 N 0.49 -0.44 -0.23 -0.43 2.35 -0.98 -0.96 115.58 115.38 1hik h ASN 15 Ca 0.13 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1hik h ASN 15 Cb 0.18 0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1hik h ASN 15 CO -0.01 -0.18 0.13 0.28 -1.65 0.00 0.00 177.43 175.99 1hik h SER 16 N -0.18 0.28 -0.94 5.81 0.02 -1.46 -3.18 113.55 113.90 1hik h SER 16 Ca 0.09 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1hik h SER 16 Cb 0.30 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 1hik h SER 16 CO -0.23 0.27 0.62 -0.07 -1.14 0.00 0.00 176.83 176.29 1hik h LEU 17 N 0.27 1.08 0.00 5.07 4.07 -0.90 -1.67 115.31 123.23 1hik h LEU 17 Ca 0.08 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1hik h LEU 17 Cb 0.05 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.52 1hik h LEU 17 CO -0.01 0.78 0.00 0.35 -1.08 0.00 0.00 178.44 178.48 1hik n THR 18 N -4.43 0.11 -0.11 0.22 -2.24 -0.40 -2.83 114.28 104.59 1hik n THR 18 Ca 0.11 0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.70 1hik n THR 18 Cb 0.01 -0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 67.49 1hik n THR 18 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1hik n GLU 19 N -1.10 0.50 -1.74 -0.78 1.02 -0.67 -4.95 120.64 112.91 1hik n GLU 19 Ca 0.15 0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 57.05 1hik n GLU 19 Cb 0.11 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 1hik n GLU 19 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1hik s GLN 20 N -2.42 3.91 -0.21 3.49 0.74 -0.96 -4.99 119.66 119.23 1hik s GLN 20 Ca -0.31 2.36 -0.04 0.00 0.05 0.00 0.00 55.36 57.42 1hik s GLN 20 Cb 0.11 -4.17 -0.01 0.00 1.10 0.00 0.00 33.01 30.03 1hik s GLN 20 CO 0.43 -1.20 -0.04 0.15 -0.55 0.00 0.00 175.29 174.08 1hik s LYS 21 N 4.80 3.44 0.20 1.67 -0.14 -1.26 -4.94 119.74 123.50 1hik s LYS 21 Ca 0.87 -0.60 -0.00 0.00 -1.36 0.00 0.00 55.97 54.88 1hik s LYS 21 Cb -0.38 -3.00 -0.04 0.00 -1.68 0.00 0.00 37.83 32.73 1hik s LYS 21 CO 0.38 -0.11 0.09 0.99 -0.76 0.00 0.00 175.35 175.93 1hik s THR 22 N 1.27 0.25 0.58 2.17 2.01 -1.26 -5.04 115.64 115.62 1hik s THR 22 Ca 0.03 -1.98 0.30 0.00 0.31 0.00 0.00 61.69 60.36 1hik s THR 22 Cb -0.14 -2.38 0.42 0.00 0.01 0.00 0.00 72.50 70.40 1hik s THR 22 CO -0.01 -0.16 1.78 -0.07 -0.69 0.00 0.00 174.62 175.46 1hik h LEU 23 N 2.63 0.00 0.00 4.42 3.38 -1.89 -2.09 115.31 121.76 1hik h LEU 23 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1hik h LEU 23 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1hik h LEU 23 CO 0.58 0.00 -0.83 0.00 0.09 0.00 0.00 178.44 178.28 1hik n THR 25 N -1.77 0.21 1.02 0.00 -2.24 -0.79 -1.74 114.28 108.97 1hik n THR 25 Ca 0.03 0.05 0.11 0.00 -2.27 0.00 0.00 64.05 61.98 1hik n THR 25 Cb 0.39 -0.75 0.01 0.00 -2.10 0.00 0.00 70.33 67.89 1hik n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1hik n GLU 26 N -1.13 0.76 -1.78 -0.78 -0.58 -1.26 -2.22 120.64 113.65 1hik n GLU 26 Ca 0.12 -0.60 -0.31 0.00 -0.42 0.00 0.00 57.16 55.94 1hik n GLU 26 Cb 0.11 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.52 1hik n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1hik s LEU 27 N -2.66 3.24 -0.07 -4.62 1.43 -0.71 -4.72 118.68 110.57 1hik s LEU 27 Ca 0.16 1.58 -0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1hik s LEU 27 Cb 0.18 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 1hik s LEU 27 CO 0.66 -1.17 -0.01 0.42 0.23 0.00 0.00 176.35 176.48 1hik s THR 28 N -2.98 4.18 0.31 5.49 -4.23 -1.26 -0.22 115.64 116.92 1hik s THR 28 Ca 0.58 -0.36 0.09 0.00 -1.18 0.00 0.00 61.69 60.82 1hik s THR 28 Cb -0.13 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 1hik s THR 28 CO 0.51 0.56 0.08 0.68 -0.54 0.00 0.00 174.62 175.91 1hik s VAL 29 N -0.91 3.25 -0.39 2.29 -7.23 0.11 -4.87 120.40 112.65 1hik s VAL 29 Ca 0.14 -1.78 -0.28 0.00 -1.81 0.00 0.00 61.98 58.25 1hik s VAL 29 Cb -0.11 -2.94 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 1hik s VAL 29 CO 0.04 -0.27 1.64 -0.89 -0.31 0.00 0.00 175.10 175.31 1hik s THR 30 N -2.38 3.64 -0.77 5.32 2.01 -1.26 -0.47 115.64 121.73 1hik s THR 30 Ca 0.35 0.64 -0.19 0.00 0.31 0.00 0.00 61.69 62.79 1hik s THR 30 Cb -0.04 -3.91 -0.17 0.00 0.01 0.00 0.00 72.50 68.39 1hik s THR 30 CO 0.21 -0.61 1.87 -0.67 -0.69 0.00 0.00 174.62 174.73 1hik n ASP 31 N 9.85 0.37 0.00 3.53 2.03 -0.76 -4.71 116.55 126.87 1hik n ASP 31 Ca 0.20 -2.00 0.07 0.00 0.52 0.00 0.00 54.79 53.58 1hik n ASP 31 Cb 0.48 -1.38 0.43 0.00 -0.72 0.00 0.00 41.12 39.93 1hik n ASP 31 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1hik n ILE 32 N 7.72 0.00 -0.36 5.18 -6.64 -1.26 -1.56 119.36 122.44 1hik n ILE 32 Ca 0.32 0.00 0.10 0.00 -1.77 0.00 0.00 62.75 61.40 1hik n ILE 32 Cb 0.46 -0.58 0.29 0.00 -1.44 0.00 0.00 39.64 38.36 1hik n ILE 32 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27 1hik n PHE 33 N -0.88 0.91 -0.29 4.28 3.72 -1.26 -4.39 117.46 119.55 1hik n PHE 33 Ca 0.11 -0.52 0.08 0.00 -0.05 0.00 0.00 57.45 57.07 1hik n PHE 33 Cb 0.05 -0.04 0.31 0.00 -0.94 0.00 0.00 39.48 38.86 1hik n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hik n ALA 34 N 1.30 3.08 -2.12 4.37 0.00 -0.60 -4.97 120.51 121.57 1hik n ALA 34 Ca 0.22 -1.35 -0.31 0.00 0.00 0.00 0.00 53.44 51.99 1hik n ALA 34 Cb 0.61 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 1hik n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hik s ALA 35 N -1.87 3.30 0.00 0.00 0.00 -1.26 -4.99 121.76 116.93 1hik s ALA 35 Ca 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1hik s ALA 35 Cb 0.29 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1hik s ALA 35 CO 0.20 0.01 0.00 0.43 0.00 0.00 0.00 175.76 176.40 1hik n SER 36 N -1.19 4.17 0.04 0.00 7.64 -1.26 -4.74 113.62 118.27 1hik n SER 36 Ca 0.03 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.87 1hik n SER 36 Cb 0.54 0.29 0.19 0.00 -1.01 0.00 0.00 64.21 64.22 1hik n SER 36 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1hik h LYS 37 N 0.00 0.42 -0.68 1.43 2.10 -2.04 -3.49 116.57 114.31 1hik h LYS 37 Ca 0.00 -0.18 0.07 0.00 -2.00 0.00 0.00 60.65 58.54 1hik h LYS 37 Cb 0.90 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.18 1hik h LYS 37 CO 0.00 0.71 -0.19 0.09 -2.00 0.00 0.00 179.45 178.05 1hik n ASN 38 N -4.07 -1.72 0.00 7.07 5.03 -1.26 -5.08 115.26 115.22 1hik n ASN 38 Ca -0.01 0.22 0.00 0.00 0.87 0.00 0.00 54.58 55.66 1hik n ASN 38 Cb 0.45 -0.95 0.00 0.00 -1.02 0.00 0.00 39.78 38.26 1hik n ASN 38 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1hik n THR 39 N -2.81 0.00 0.00 3.41 -2.24 -1.26 -5.15 114.28 106.23 1hik n THR 39 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1hik n THR 39 Cb 0.14 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1hik n THR 39 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1hik n THR 40 N 0.00 0.00 -0.18 4.28 5.66 -1.26 -4.96 114.28 117.82 1hik n THR 40 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1hik n THR 40 Cb 0.00 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.82 1hik n THR 40 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1hik h GLU 41 N 0.00 -0.03 -0.07 1.09 4.81 -2.02 1.08 114.58 119.45 1hik h GLU 41 Ca 0.00 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1hik h GLU 41 Cb 0.00 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1hik h GLU 41 CO 0.00 -0.02 -0.03 0.87 -0.73 0.00 0.00 179.01 179.10 1hik h LYS 42 N -0.03 -0.02 0.43 1.92 1.57 -1.92 -1.25 116.57 117.27 1hik h LYS 42 Ca 0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1hik h LYS 42 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1hik h LYS 42 CO -0.57 -0.01 -0.32 1.49 -0.57 0.00 0.00 179.45 179.46 1hik h GLU 43 N -0.02 -0.72 -0.86 3.15 4.81 -1.39 -1.57 114.58 117.98 1hik h GLU 43 Ca 0.04 0.05 0.22 0.00 -0.13 0.00 0.00 59.36 59.54 1hik h GLU 43 Cb 0.08 0.16 -0.15 0.00 0.63 0.00 0.00 28.75 29.47 1hik h GLU 43 CO -0.09 -0.48 0.10 1.15 -0.73 0.00 0.00 179.01 178.97 1hik h THR 44 N -0.74 0.25 -0.35 0.32 2.02 0.13 0.11 112.91 114.65 1hik h THR 44 Ca -0.04 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 66.98 1hik h THR 44 Cb 0.63 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1hik h THR 44 CO 0.01 0.02 -0.25 -0.26 0.37 0.00 0.00 175.52 175.41 1hik h PHE 45 N 0.12 0.92 -0.46 3.16 0.04 -0.89 0.11 116.94 119.94 1hik h PHE 45 Ca 0.51 -0.25 -0.01 0.00 2.80 0.00 0.00 57.97 61.02 1hik h PHE 45 Cb 1.00 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 1hik h PHE 45 CO -0.38 1.01 0.22 0.00 -0.60 0.00 0.00 178.31 178.57 1hik h ARG 47 N 0.64 0.17 -0.13 0.00 3.08 -0.43 0.36 114.38 118.06 1hik h ARG 47 Ca 0.16 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1hik h ARG 47 Cb 0.07 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1hik h ARG 47 CO -0.02 0.75 -0.10 0.00 -1.07 0.00 0.00 179.97 179.53 1hik h ALA 48 N 0.42 1.59 -0.39 0.04 0.00 -0.82 0.28 119.26 120.39 1hik h ALA 48 Ca -0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1hik h ALA 48 Cb 0.76 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1hik h ALA 48 CO 0.03 0.30 -0.31 0.00 0.00 0.00 0.00 179.25 179.27 1hik h ALA 49 N 1.71 0.56 -0.27 0.00 0.00 -0.64 -2.51 119.26 118.11 1hik h ALA 49 Ca 0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1hik h ALA 49 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1hik h ALA 49 CO 0.02 0.61 0.14 1.15 0.00 0.00 0.00 179.25 181.16 1hik h THR 50 N 0.71 1.14 -0.49 0.00 2.02 0.17 0.17 112.91 116.63 1hik h THR 50 Ca 0.07 -0.40 -0.12 0.00 0.77 0.00 0.00 66.41 66.73 1hik h THR 50 Cb 0.89 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1hik h THR 50 CO 0.08 0.14 -0.18 -0.37 0.37 0.00 0.00 175.52 175.57 1hik h VAL 51 N 0.31 1.27 -0.50 3.16 -1.51 -1.30 -1.56 116.25 116.11 1hik h VAL 51 Ca 0.09 -1.34 -0.03 0.00 -1.23 0.00 0.00 66.70 64.20 1hik h VAL 51 Cb 0.10 1.07 -0.02 0.00 -2.13 0.00 0.00 31.29 30.31 1hik h VAL 51 CO -0.01 0.46 0.19 -0.07 -1.23 0.00 0.00 177.57 176.91 1hik h LEU 52 N 0.86 0.71 -0.56 4.19 4.07 -0.98 -0.30 115.31 123.29 1hik h LEU 52 Ca 0.12 -0.18 -0.10 0.00 0.08 0.00 0.00 57.88 57.80 1hik h LEU 52 Cb 0.75 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1hik h LEU 52 CO 0.06 0.70 -0.05 -0.09 -1.08 0.00 0.00 178.44 177.97 1hik h ARG 53 N 0.68 1.03 -0.91 1.13 2.43 -0.84 -2.29 114.38 115.61 1hik h ARG 53 Ca 0.17 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1hik h ARG 53 Cb 0.22 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1hik h ARG 53 CO -0.01 1.05 0.58 1.96 -1.51 0.00 0.00 179.97 182.04 1hik h GLN 54 N 0.92 1.21 0.14 0.20 4.20 -0.88 -2.27 115.11 118.63 1hik h GLN 54 Ca 0.15 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1hik h GLN 54 Cb 0.62 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1hik h GLN 54 CO 0.04 0.82 -0.07 0.35 -0.67 0.00 0.00 178.83 179.30 1hik h PHE 55 N 1.24 -0.18 -0.81 2.96 3.04 -0.61 -0.46 116.94 122.14 1hik h PHE 55 Ca 0.33 -0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.46 1hik h PHE 55 Cb -0.11 0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.40 1hik h PHE 55 CO 0.00 -0.11 0.55 0.10 -2.02 0.00 0.00 178.31 176.83 1hik h TYR 56 N -0.27 0.40 0.00 0.41 -0.00 -1.51 0.20 116.97 116.20 1hik h TYR 56 Ca -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 58.73 58.68 1hik h TYR 56 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 36.74 1hik h TYR 56 CO 0.12 0.13 -0.22 1.03 -0.00 0.00 0.00 178.16 179.21 1hik h SER 57 N 0.32 0.00 0.16 0.10 0.87 -1.37 0.26 113.55 113.89 1hik h SER 57 Ca 0.40 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1hik h SER 57 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1hik h SER 57 CO -0.12 0.22 -0.71 1.41 -0.53 0.00 0.00 176.83 177.10 1hik n HIS 58 N -3.37 0.00 -1.15 2.24 8.25 0.32 -4.48 115.22 117.03 1hik n HIS 58 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1hik n HIS 58 Cb 0.43 -0.08 0.03 0.00 1.12 0.00 0.00 29.99 31.49 1hik n HIS 58 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1hik n HIS 59 N -1.21 0.00 -0.09 4.41 8.25 0.42 -4.67 115.22 122.33 1hik n HIS 59 Ca 0.06 -0.30 -0.13 0.00 -0.26 0.00 0.00 57.72 57.09 1hik n HIS 59 Cb 0.35 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.36 1hik n HIS 59 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1hik h GLU 60 N 0.00 0.62 -0.32 -0.41 4.81 -0.76 -3.25 114.58 115.28 1hik h GLU 60 Ca 0.00 -0.30 -0.21 0.00 -0.13 0.00 0.00 59.36 58.72 1hik h GLU 60 Cb 1.04 -0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.27 1hik h GLU 60 CO 0.00 0.89 -0.40 1.63 -0.73 0.00 0.00 179.01 180.41 1hik n LYS 61 N -4.36 2.17 -2.56 1.92 4.76 -1.26 -4.91 118.16 113.92 1hik n LYS 61 Ca -0.04 -3.48 -0.43 0.00 -2.87 0.00 0.00 58.31 51.50 1hik n LYS 61 Cb 0.41 -1.86 -0.02 0.00 -1.84 0.00 0.00 35.03 31.72 1hik n LYS 61 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1hik s ASP 62 N -3.06 7.11 0.40 4.39 -1.08 -1.23 -4.93 116.67 118.27 1hik s ASP 62 Ca 0.44 1.66 0.11 0.00 -0.52 0.00 0.00 52.55 54.24 1hik s ASP 62 Cb 0.40 -2.55 0.93 0.00 -1.46 0.00 0.00 42.92 40.23 1hik s ASP 62 CO -0.02 -0.56 1.95 0.74 0.52 0.00 0.00 175.17 177.79 1hik h THR 63 N 5.14 0.91 0.00 1.71 2.02 -1.95 0.20 112.91 120.93 1hik h THR 63 Ca -0.31 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1hik h THR 63 Cb 1.14 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1hik h THR 63 CO 0.89 0.10 0.00 0.03 0.37 0.00 0.00 175.52 176.91 1hik h ARG 64 N 0.54 0.00 0.00 6.66 3.08 -1.99 -3.29 114.38 119.38 1hik h ARG 64 Ca 0.32 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.37 1hik h ARG 64 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1hik h ARG 64 CO -0.11 0.00 -1.29 0.00 -1.07 0.00 0.00 179.97 177.50 1hik h LEU 66 N 0.00 0.00 0.00 0.00 3.38 -1.23 -3.45 115.31 114.01 1hik h LEU 66 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hik h LEU 66 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1hik h LEU 66 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1hik n GLY 67 N -1.54 -1.83 0.12 0.83 0.00 -1.26 -3.79 105.19 97.71 1hik n GLY 67 Ca 0.02 -1.26 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 1hik n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hik h ALA 68 N 0.00 -0.42 -2.14 4.61 0.00 -1.93 -3.42 119.26 115.96 1hik h ALA 68 Ca 0.00 -0.06 -0.43 0.00 0.00 0.00 0.00 54.91 54.42 1hik h ALA 68 Cb 0.00 0.10 0.17 0.00 0.00 0.00 0.00 17.79 18.06 1hik h ALA 68 CO 0.00 -0.40 0.24 0.95 0.00 0.00 0.00 179.25 180.04 1hik s THR 69 N -2.47 1.81 0.18 0.00 -4.23 -1.26 -4.89 115.64 104.79 1hik s THR 69 Ca -0.04 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.44 1hik s THR 69 Cb 0.00 -2.66 -0.08 0.00 1.34 0.00 0.00 72.50 71.11 1hik s THR 69 CO 0.11 0.00 1.47 0.00 -0.54 0.00 0.00 174.62 175.66 1hik h ALA 70 N -2.09 0.64 -0.26 3.99 0.00 -1.98 -2.59 119.26 116.96 1hik h ALA 70 Ca -0.47 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 53.83 1hik h ALA 70 Cb 1.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1hik h ALA 70 CO 0.43 0.71 -0.13 0.37 0.00 0.00 0.00 179.25 180.62 1hik h GLN 71 N 0.40 0.45 -0.20 0.00 4.15 -1.99 -1.30 115.11 116.63 1hik h GLN 71 Ca -0.01 -0.13 -0.07 0.00 0.77 0.00 0.00 58.65 59.21 1hik h GLN 71 Cb 1.17 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 1hik h GLN 71 CO 0.11 0.58 -0.17 1.96 -1.93 0.00 0.00 178.83 179.38 1hik h GLN 72 N 0.41 0.46 -0.58 1.69 4.20 -1.89 -3.11 115.11 116.29 1hik h GLN 72 Ca 0.08 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1hik h GLN 72 Cb 0.48 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1hik h GLN 72 CO 0.03 0.80 0.31 0.35 -0.67 0.00 0.00 178.83 179.65 1hik h PHE 73 N 0.14 0.81 -0.49 2.96 3.57 -1.04 -2.14 116.94 120.73 1hik h PHE 73 Ca 0.03 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1hik h PHE 73 Cb 0.70 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1hik h PHE 73 CO 0.08 0.59 0.20 1.25 -2.23 0.00 0.00 178.31 178.20 1hik h HIS 74 N 0.79 0.35 -0.69 0.41 2.76 -1.33 -1.93 115.15 115.51 1hik h HIS 74 Ca 0.20 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.42 1hik h HIS 74 Cb 0.06 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 28.89 1hik h HIS 74 CO -0.01 0.14 0.44 0.00 -1.30 0.00 0.00 177.93 177.19 1hik h ARG 75 N 0.39 0.85 -0.64 5.26 3.08 -1.40 -1.40 114.38 120.52 1hik h ARG 75 Ca 0.23 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1hik h ARG 75 Cb 0.22 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1hik h ARG 75 CO -0.21 0.56 0.25 1.25 -1.07 0.00 0.00 179.97 180.74 1hik h HIS 76 N 0.87 0.98 -0.14 3.04 2.76 -0.88 0.37 115.15 122.15 1hik h HIS 76 Ca 0.27 -0.08 -0.12 0.00 -2.20 0.00 0.00 60.37 58.24 1hik h HIS 76 Cb -0.02 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.63 1hik h HIS 76 CO -0.04 0.78 -0.43 0.87 -1.30 0.00 0.00 177.93 177.81 1hik h LYS 77 N 0.90 0.31 -0.45 5.26 1.57 -1.16 0.15 116.57 123.15 1hik h LYS 77 Ca 0.21 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 1hik h LYS 77 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1hik h LYS 77 CO -0.02 0.69 -0.19 0.37 -0.57 0.00 0.00 179.45 179.74 1hik h GLN 78 N 0.26 0.89 0.22 3.15 4.15 -0.96 0.52 115.11 123.34 1hik h GLN 78 Ca 0.02 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.08 1hik h GLN 78 Cb 0.86 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.51 1hik h GLN 78 CO 0.07 1.00 -0.10 1.25 -1.93 0.00 0.00 178.83 179.12 1hik h LEU 79 N 0.78 -0.25 -0.74 -2.39 7.12 -0.47 -1.78 115.31 117.60 1hik h LEU 79 Ca 0.11 -0.09 -0.04 0.00 0.13 0.00 0.00 57.88 58.00 1hik h LEU 79 Cb 0.73 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.89 1hik h LEU 79 CO 0.06 -0.07 0.30 0.40 -0.13 0.00 0.00 178.44 179.00 1hik h ILE 80 N -0.41 1.25 -0.46 4.05 1.08 -0.84 -0.80 117.51 121.37 1hik h ILE 80 Ca -0.03 -0.78 -0.11 0.00 -0.39 0.00 0.00 64.86 63.55 1hik h ILE 80 Cb 0.32 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 1hik h ILE 80 CO 0.05 0.31 -0.16 -0.09 -0.69 0.00 0.00 178.15 177.58 1hik h ARG 81 N 1.05 0.88 0.01 2.37 2.43 -0.81 -1.92 114.38 118.40 1hik h ARG 81 Ca 0.25 -0.33 -0.23 0.00 -0.81 0.00 0.00 59.98 58.86 1hik h ARG 81 Cb 0.20 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1hik h ARG 81 CO -0.02 0.97 -1.12 0.74 -1.51 0.00 0.00 179.97 179.03 1hik h PHE 82 N 0.78 0.05 -0.23 2.20 0.04 -1.08 -2.51 116.94 116.19 1hik h PHE 82 Ca 0.12 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 1hik h PHE 82 Cb 0.68 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.82 1hik h PHE 82 CO 0.04 1.03 -0.09 -0.07 -0.60 0.00 0.00 178.31 178.62 1hik h LEU 83 N 0.01 0.35 -0.44 1.54 4.07 -1.00 0.12 115.31 119.95 1hik h LEU 83 Ca -0.06 -0.07 -0.17 0.00 0.08 0.00 0.00 57.88 57.65 1hik h LEU 83 Cb 1.82 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 43.47 1hik h LEU 83 CO 0.13 0.48 -0.62 0.11 -1.08 0.00 0.00 178.44 177.46 1hik h LYS 84 N 0.35 0.56 -0.37 1.13 1.57 -1.31 -2.21 116.57 116.29 1hik h LYS 84 Ca 0.07 -0.39 -0.07 0.00 -1.87 0.00 0.00 60.65 58.39 1hik h LYS 84 Cb 0.38 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1hik h LYS 84 CO 0.02 1.01 -0.04 0.00 -0.57 0.00 0.00 179.45 179.87 1hik h ARG 85 N 0.41 0.69 -0.66 3.15 2.47 -0.94 -0.60 114.38 118.90 1hik h ARG 85 Ca -0.01 -0.24 0.01 0.00 -1.26 0.00 0.00 59.98 58.48 1hik h ARG 85 Cb 1.19 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.42 1hik h ARG 85 CO 0.12 0.81 0.44 1.25 0.56 0.00 0.00 179.97 183.15 1hik h LEU 86 N 0.50 0.75 -0.50 3.04 6.46 -1.01 -2.21 115.31 122.34 1hik h LEU 86 Ca 0.10 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1hik h LEU 86 Cb 0.53 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1hik h LEU 86 CO 0.03 0.54 0.27 -0.78 -0.62 0.00 0.00 178.44 177.88 1hik h ASP 87 N 0.89 0.64 -0.89 1.25 3.58 -1.17 -0.01 116.42 120.72 1hik h ASP 87 Ca 0.24 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1hik h ASP 87 Cb -0.10 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 40.75 1hik h ASP 87 CO -0.06 0.56 0.53 -0.09 -2.88 0.00 0.00 179.24 177.31 1hik h ARG 88 N 0.67 1.21 -0.08 0.28 2.43 -0.90 -1.41 114.38 116.58 1hik h ARG 88 Ca 0.18 -0.11 -0.20 0.00 -0.81 0.00 0.00 59.98 59.03 1hik h ARG 88 Cb 0.07 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1hik h ARG 88 CO -0.03 0.85 -0.77 -0.91 -1.51 0.00 0.00 179.97 177.60 1hik h ASN 89 N 1.23 0.57 1.03 -3.80 2.35 -0.90 -3.15 115.58 112.91 1hik h ASN 89 Ca 0.32 -0.39 -0.13 0.00 -0.55 0.00 0.00 56.30 55.55 1hik h ASN 89 Cb -0.04 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1hik h ASN 89 CO -0.06 1.15 -0.62 -0.07 -1.65 0.00 0.00 177.43 176.18 1hik h LEU 90 N 0.32 0.00 0.09 1.61 3.38 -0.80 -2.29 115.31 117.61 1hik h LEU 90 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1hik h LEU 90 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1hik h LEU 90 CO 0.14 0.62 -0.04 -0.50 0.09 0.00 0.00 178.44 178.75 1hik h TRP 91 N 0.00 -0.11 0.00 1.13 -0.00 -1.27 -2.27 115.95 113.44 1hik h TRP 91 Ca -0.01 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.83 1hik h TRP 91 Cb 1.30 0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 30.49 1hik h TRP 91 CO 0.00 0.39 -0.24 0.78 -0.00 0.00 0.00 178.44 179.37 1hik h GLY 92 N -0.69 0.00 1.38 1.49 0.00 -1.60 0.15 103.07 103.80 1hik h GLY 92 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 1hik h GLY 92 CO 0.02 0.00 -0.39 -2.00 0.00 0.00 0.00 176.54 174.17 1hik h LEU 93 N 0.00 0.72 -0.05 3.11 5.85 -1.43 -3.16 115.31 120.35 1hik h LEU 93 Ca -0.00 -0.32 -0.15 0.00 0.84 0.00 0.00 57.88 58.24 1hik h LEU 93 Cb 0.43 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.26 1hik h LEU 93 CO 0.03 1.03 -0.56 0.00 -0.34 0.00 0.00 178.44 178.60 1hik h ALA 94 N 1.00 0.14 0.00 1.25 0.00 -0.77 -3.42 119.26 117.46 1hik h ALA 94 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1hik h ALA 94 Cb 0.92 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1hik h ALA 94 CO 0.08 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1hik n GLY 95 N 0.87 0.27 3.79 0.00 0.00 -0.02 -4.79 105.19 105.32 1hik n GLY 95 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1hik n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hik s LEU 96 N 0.00 3.23 0.00 0.99 1.43 -1.26 -5.03 118.68 118.03 1hik s LEU 96 Ca 0.00 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1hik s LEU 96 Cb 0.00 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1hik s LEU 96 CO 0.00 -0.57 0.37 0.59 0.23 0.00 0.00 176.35 176.97 1hik n ASN 97 N -1.35 0.00 -4.36 2.29 5.03 -1.26 -4.93 115.26 110.68 1hik n ASN 97 Ca 0.01 -1.14 -0.35 0.00 0.87 0.00 0.00 54.58 53.97 1hik n ASN 97 Cb 0.63 -0.03 -0.14 0.00 -1.02 0.00 0.00 39.78 39.23 1hik n ASN 97 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1hik s SER 98 N -0.14 4.46 -0.16 6.41 1.04 -1.26 -5.09 113.70 118.95 1hik s SER 98 Ca 0.00 -0.33 -0.04 0.00 0.48 0.00 0.00 55.95 56.06 1hik s SER 98 Cb 0.00 -1.76 0.08 0.00 0.10 0.00 0.00 66.02 64.44 1hik s SER 98 CO 0.00 0.02 0.25 0.00 0.98 0.00 0.00 173.24 174.49 1hik n PRO 100 N 5.34 3.92 -2.01 0.00 -0.04 -1.26 -4.96 135.00 135.99 1hik n PRO 100 Ca -0.06 -4.47 -0.32 0.00 -0.04 0.00 0.00 63.50 58.61 1hik n PRO 100 Cb 0.50 -2.55 -0.05 0.00 -0.04 0.00 0.00 33.50 31.35 1hik n PRO 100 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1hik n VAL 101 N 2.19 2.20 0.83 0.52 0.31 -1.26 -4.69 118.33 118.43 1hik n VAL 101 Ca 0.25 -2.24 0.06 0.00 -0.01 0.00 0.00 64.34 62.40 1hik n VAL 101 Cb 0.37 -2.22 0.16 0.00 -0.91 0.00 0.00 33.84 31.24 1hik n VAL 101 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1hik n LYS 102 N 8.10 1.87 -2.75 5.55 2.85 -1.26 -4.92 118.16 127.60 1hik n LYS 102 Ca 0.46 -1.29 -0.39 0.00 -1.05 0.00 0.00 58.31 56.04 1hik n LYS 102 Cb 0.46 -1.31 -0.06 0.00 -0.65 0.00 0.00 35.03 33.47 1hik n LYS 102 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1hik s GLU 103 N -1.54 4.75 -0.26 -1.58 0.41 -1.26 -4.99 118.70 114.22 1hik s GLU 103 Ca 0.24 1.44 -0.08 0.00 -0.41 0.00 0.00 54.97 56.16 1hik s GLU 103 Cb 0.13 -3.09 -0.15 0.00 -1.78 0.00 0.00 34.13 29.24 1hik s GLU 103 CO 0.16 0.42 -0.26 0.00 -0.49 0.00 0.00 175.26 175.08 1hik n ALA 104 N 1.12 1.26 -1.78 5.21 0.00 -1.26 -4.90 120.51 120.16 1hik n ALA 104 Ca -0.00 -1.07 -0.41 0.00 0.00 0.00 0.00 53.44 51.96 1hik n ALA 104 Cb 0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 1hik n ALA 104 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1hik s ASN 105 N -7.09 6.40 0.13 0.00 2.47 -1.26 -4.90 114.94 110.68 1hik s ASN 105 Ca -0.37 3.00 0.03 0.00 0.42 0.00 0.00 52.86 55.95 1hik s ASN 105 Cb 0.12 -2.66 -0.04 0.00 -1.45 0.00 0.00 41.25 37.22 1hik s ASN 105 CO 0.55 -0.84 0.19 -1.10 -3.72 0.00 0.00 177.10 172.17 1hik s GLN 106 N -1.97 3.16 0.01 0.43 -1.52 -1.26 -1.82 119.66 116.69 1hik s GLN 106 Ca 0.53 -0.68 0.04 0.00 -1.95 0.00 0.00 55.36 53.30 1hik s GLN 106 Cb -0.46 -2.83 -0.01 0.00 -0.22 0.00 0.00 33.01 29.49 1hik s GLN 106 CO 0.61 0.53 -0.12 -1.12 -0.25 0.00 0.00 175.29 174.94 1hik s SER 107 N -2.93 1.46 0.45 5.90 0.01 0.38 -4.70 113.70 114.27 1hik s SER 107 Ca 0.32 -0.32 -0.25 0.00 1.31 0.00 0.00 55.95 57.01 1hik s SER 107 Cb -0.11 -0.12 -0.08 0.00 0.21 0.00 0.00 66.02 65.91 1hik s SER 107 CO 0.26 0.08 1.42 0.42 0.41 0.00 0.00 173.24 175.83 1hik s THR 108 N -0.55 2.11 0.31 1.44 -4.23 -1.26 0.04 115.64 113.49 1hik s THR 108 Ca 0.03 0.10 0.06 0.00 -1.18 0.00 0.00 61.69 60.70 1hik s THR 108 Cb -0.06 -3.06 0.30 0.00 1.34 0.00 0.00 72.50 71.03 1hik s THR 108 CO 0.00 0.01 1.78 0.25 -0.54 0.00 0.00 174.62 176.12 1hik h LEU 109 N 2.36 0.77 0.06 4.79 5.85 -0.70 -1.22 115.31 127.23 1hik h LEU 109 Ca -0.51 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.33 1hik h LEU 109 Cb 1.26 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1hik h LEU 109 CO 0.61 0.27 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.74 1hik h GLU 110 N 0.75 -0.28 0.00 1.25 4.81 -1.71 0.15 114.58 119.56 1hik h GLU 110 Ca 0.58 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.83 1hik h GLU 110 Cb 0.92 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1hik h GLU 110 CO -0.38 -0.19 0.00 -0.91 -0.73 0.00 0.00 179.01 176.80 1hik h ASN 111 N -0.29 0.00 0.02 1.04 2.35 -1.79 -2.41 115.58 114.50 1hik h ASN 111 Ca 0.03 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1hik h ASN 111 Cb 0.33 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.71 1hik h ASN 111 CO -0.11 0.00 -0.48 0.15 -1.65 0.00 0.00 177.43 175.33 1hik h PHE 112 N 0.00 0.46 -0.20 1.19 3.57 0.02 -2.89 116.94 119.09 1hik h PHE 112 Ca 0.00 -0.26 -0.09 0.00 3.53 0.00 0.00 57.97 61.15 1hik h PHE 112 Cb 0.59 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1hik h PHE 112 CO 0.00 1.09 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.85 1hik h LEU 113 N -0.30 0.37 -0.83 0.59 3.38 -0.59 -1.18 115.31 116.75 1hik h LEU 113 Ca -0.06 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1hik h LEU 113 Cb 1.23 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1hik h LEU 113 CO 0.09 0.63 -0.02 -0.08 0.09 0.00 0.00 178.44 179.15 1hik h GLU 114 N 0.33 0.86 -0.06 1.13 4.81 -1.49 -0.55 114.58 119.61 1hik h GLU 114 Ca 0.05 -0.25 -0.20 0.00 -0.13 0.00 0.00 59.36 58.83 1hik h GLU 114 Cb 0.63 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1hik h GLU 114 CO 0.04 0.87 -0.80 -0.09 -0.73 0.00 0.00 179.01 178.30 1hik h ARG 115 N 0.79 0.45 -0.54 1.92 2.43 -1.19 -2.35 114.38 115.89 1hik h ARG 115 Ca 0.15 -0.40 -0.07 0.00 -0.81 0.00 0.00 59.98 58.85 1hik h ARG 115 Cb 0.50 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1hik h ARG 115 CO 0.02 1.04 0.05 1.25 -1.51 0.00 0.00 179.97 180.83 1hik h LEU 116 N 0.29 0.88 -0.85 3.80 6.46 -1.09 -2.14 115.31 122.67 1hik h LEU 116 Ca -0.05 -0.28 0.06 0.00 -0.12 0.00 0.00 57.88 57.49 1hik h LEU 116 Cb 1.40 -0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 41.03 1hik h LEU 116 CO 0.14 0.94 0.53 0.50 -0.62 0.00 0.00 178.44 179.93 1hik h LYS 117 N 0.79 0.95 -0.10 1.25 3.64 -0.93 -0.48 116.57 121.70 1hik h LYS 117 Ca 0.16 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1hik h LYS 117 Cb 0.46 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1hik h LYS 117 CO 0.02 0.63 -0.05 1.15 -2.27 0.00 0.00 179.45 178.93 1hik h THR 118 N 0.98 1.32 -0.69 1.00 2.02 -1.29 -2.14 112.91 114.11 1hik h THR 118 Ca 0.36 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.49 1hik h THR 118 Cb 0.14 1.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 1hik h THR 118 CO -0.16 0.30 0.46 0.40 0.37 0.00 0.00 175.52 176.89 1hik h ILE 119 N -0.15 1.15 -0.21 3.11 2.04 -0.95 -1.68 117.51 120.82 1hik h ILE 119 Ca 0.02 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.40 1hik h ILE 119 Cb 0.50 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1hik h ILE 119 CO 0.01 0.16 -0.58 0.24 0.00 0.00 0.00 178.15 177.99 1hik h MET 120 N 0.90 0.66 0.00 2.37 2.86 -0.98 -2.17 114.93 118.57 1hik h MET 120 Ca 0.26 -0.43 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 1hik h MET 120 Cb -0.06 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1hik h MET 120 CO -0.06 1.05 -0.33 0.00 1.06 0.00 0.00 176.91 178.63 1hik h ARG 121 N 0.50 0.00 -0.12 1.72 2.47 -0.73 -0.80 114.38 117.42 1hik h ARG 121 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1hik h ARG 121 Cb 1.15 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1hik h ARG 121 CO 0.11 0.33 0.02 1.49 0.56 0.00 0.00 179.97 182.48 1hik h GLU 122 N 0.00 0.20 -0.31 0.04 4.57 -0.88 -0.16 114.58 118.05 1hik h GLU 122 Ca -0.00 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1hik h GLU 122 Cb 0.70 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.23 1hik h GLU 122 CO 0.04 0.39 0.06 0.87 -1.18 0.00 0.00 179.01 179.20 1hik h LYS 123 N -0.02 0.17 -0.39 1.92 1.79 -1.07 -1.54 116.57 117.44 1hik h LYS 123 Ca 0.04 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.53 1hik h LYS 123 Cb 0.29 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 1hik h LYS 123 CO 0.00 0.11 0.19 -0.92 -1.08 0.00 0.00 179.45 177.75 1hik h TYR 124 N 0.18 0.34 -0.35 -1.35 5.03 -0.97 -1.62 116.97 118.23 1hik h TYR 124 Ca 0.14 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.37 1hik h TYR 124 Cb 0.15 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.32 1hik h TYR 124 CO -0.17 0.17 -0.19 1.03 -1.32 0.00 0.00 178.16 177.69 1hik h SER 125 N 0.38 0.66 0.76 -2.11 0.87 -0.73 -1.41 113.55 111.97 1hik h SER 125 Ca 0.17 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1hik h SER 125 Cb 0.09 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1hik h SER 125 CO -0.13 0.85 0.00 0.11 -0.53 0.00 0.00 176.83 177.13 1hik h LYS 126 N 0.59 0.00 -0.05 2.24 1.57 -0.58 -1.76 116.57 118.58 1hik h LYS 126 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1hik h LYS 126 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1hik h LYS 126 CO 0.05 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 1hik n SER 128 N 0.60 0.05 0.00 0.00 3.41 -0.88 -5.05 113.62 111.75 1hik n SER 128 Ca 0.17 0.36 0.08 0.00 -0.26 0.00 0.00 58.87 59.21 1hik n SER 128 Cb 0.44 0.23 0.45 0.00 -0.26 0.00 0.00 64.21 65.06 1hik n SER 128 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68