#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ki8 n GLY 2 N 0.00 1.08 0.00 3.03 0.00 -1.26 -4.22 105.19 103.83 2ki8 n GLY 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ki8 n GLY 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ki8 n SER 3 N 0.00 0.00 -0.10 1.61 3.41 -1.26 -4.81 113.62 112.46 2ki8 n SER 3 Ca 0.00 0.34 -0.20 0.00 -0.26 0.00 0.00 58.87 58.75 2ki8 n SER 3 Cb 0.00 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.37 2ki8 n SER 3 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ki8 n SER 4 N -2.12 1.87 -4.56 4.04 2.88 -1.26 -4.72 113.62 109.75 2ki8 n SER 4 Ca 0.00 0.44 -0.22 0.00 -1.33 0.00 0.00 58.87 57.76 2ki8 n SER 4 Cb 0.00 -0.92 -0.06 0.00 -0.75 0.00 0.00 64.21 62.48 2ki8 n SER 4 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2ki8 s HIS 5 N -2.38 1.51 -0.02 0.66 5.65 -1.26 -4.92 115.29 114.52 2ki8 s HIS 5 Ca -0.28 1.21 -0.30 0.00 0.25 0.00 0.00 55.06 55.94 2ki8 s HIS 5 Cb 0.07 -3.79 -0.04 0.00 -1.18 0.00 0.00 32.58 27.64 2ki8 s HIS 5 CO 0.51 -1.72 1.21 -1.01 -0.65 0.00 0.00 174.74 173.08 2ki8 s HIS 6 N 11.98 3.23 -0.12 3.88 0.09 -1.26 -4.62 115.29 128.47 2ki8 s HIS 6 Ca 0.80 1.21 0.01 0.00 -0.00 0.00 0.00 55.06 57.08 2ki8 s HIS 6 Cb -0.10 -3.43 0.02 0.00 -0.00 0.00 0.00 32.58 29.07 2ki8 s HIS 6 CO 0.04 -1.37 -0.14 -1.58 -0.00 0.00 0.00 174.74 171.69 2ki8 s HIS 7 N 1.95 2.01 0.35 1.40 5.65 -1.26 -5.12 115.29 120.27 2ki8 s HIS 7 Ca 0.57 -1.01 -0.27 0.00 0.25 0.00 0.00 55.06 54.60 2ki8 s HIS 7 Cb -0.26 -1.47 -0.12 0.00 -1.18 0.00 0.00 32.58 29.55 2ki8 s HIS 7 CO 0.24 -0.54 1.19 -2.39 -0.65 0.00 0.00 174.74 172.59 2ki8 n HIS 8 N 4.42 1.89 -1.39 3.88 -0.00 -1.26 -4.31 115.22 118.45 2ki8 n HIS 8 Ca -0.18 0.58 -0.43 0.00 -0.00 0.00 0.00 57.72 57.70 2ki8 n HIS 8 Cb 0.51 -2.35 -0.03 0.00 -0.00 0.00 0.00 29.99 28.11 2ki8 n HIS 8 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ki8 n HIS 9 N 0.15 2.53 -0.00 -1.40 -0.00 -1.25 -4.55 115.22 110.69 2ki8 n HIS 9 Ca 0.07 -2.26 -0.00 0.00 -0.00 0.00 0.00 57.72 55.52 2ki8 n HIS 9 Cb 0.36 -2.05 -0.00 0.00 -0.00 0.00 0.00 29.99 28.30 2ki8 n HIS 9 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ki8 n HIS 10 N 6.99 0.03 -0.07 4.41 -0.00 -1.26 -4.85 115.22 120.47 2ki8 n HIS 10 Ca 0.51 0.01 -0.09 0.00 -0.00 0.00 0.00 57.72 58.15 2ki8 n HIS 10 Cb 0.40 -0.26 -0.08 0.00 -0.00 0.00 0.00 29.99 30.05 2ki8 n HIS 10 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2ki8 n SER 11 N -2.34 2.62 -1.14 0.26 3.41 -1.26 -5.09 113.62 110.08 2ki8 n SER 11 Ca -0.00 -0.05 -0.01 0.00 -0.26 0.00 0.00 58.87 58.54 2ki8 n SER 11 Cb 0.01 0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2ki8 n SER 11 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ki8 n SER 12 N -2.76 -0.05 0.00 4.04 2.88 -1.26 -5.02 113.62 111.45 2ki8 n SER 12 Ca -0.24 -1.14 0.00 0.00 -1.33 0.00 0.00 58.87 56.17 2ki8 n SER 12 Cb 0.81 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 2ki8 n SER 12 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ki8 n GLY 13 N -0.04 3.18 3.25 0.46 0.00 -1.26 -3.96 105.19 106.82 2ki8 n GLY 13 Ca 0.00 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.62 2ki8 n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ki8 s ARG 14 N 0.00 0.42 0.44 1.61 3.52 -1.26 -4.08 118.95 119.60 2ki8 s ARG 14 Ca 0.00 0.83 0.30 0.00 -0.13 0.00 0.00 55.73 56.73 2ki8 s ARG 14 Cb 0.00 0.47 1.24 0.00 -1.56 0.00 0.00 34.95 35.10 2ki8 s ARG 14 CO 0.00 -0.37 1.89 1.05 -0.81 0.00 0.00 175.30 177.06 2ki8 h GLU 15 N 7.92 0.00 -6.40 5.12 9.09 -1.97 -3.41 114.58 124.93 2ki8 h GLU 15 Ca -0.19 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.68 2ki8 h GLU 15 Cb 1.15 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 28.18 2ki8 h GLU 15 CO 0.11 0.00 1.07 -0.80 0.05 0.00 0.00 179.01 179.44 2ki8 s ASN 16 N -5.13 6.17 0.51 3.06 -0.87 -1.26 -4.99 114.94 112.42 2ki8 s ASN 16 Ca 0.02 -0.08 0.00 0.00 -1.57 0.00 0.00 52.86 51.24 2ki8 s ASN 16 Cb 0.09 -2.55 -0.00 0.00 -0.02 0.00 0.00 41.25 38.77 2ki8 s ASN 16 CO 0.48 -1.75 0.00 0.18 -2.57 0.00 0.00 177.10 173.44 2ki8 n LEU 17 N 9.41 0.00 -4.16 0.60 7.99 -1.26 -5.17 117.00 124.41 2ki8 n LEU 17 Ca 0.08 -3.19 -0.19 0.00 -0.01 0.00 0.00 56.01 52.70 2ki8 n LEU 17 Cb 0.49 0.36 -0.13 0.00 -0.11 0.00 0.00 43.42 44.04 2ki8 n LEU 17 CO 0.71 -0.45 -0.46 -0.72 -1.51 0.00 0.00 177.39 174.96 2ki8 s TYR 18 N -2.84 1.23 0.40 -1.77 -0.85 -1.26 -5.17 117.35 107.09 2ki8 s TYR 18 Ca 0.00 -0.41 0.04 0.00 -0.52 0.00 0.00 57.07 56.19 2ki8 s TYR 18 Cb 0.00 -0.71 -0.01 0.00 0.38 0.00 0.00 41.96 41.62 2ki8 s TYR 18 CO 0.00 0.05 0.14 1.19 -1.52 0.00 0.00 175.55 175.41 2ki8 n PHE 19 N 1.59 0.15 -3.90 -3.49 3.72 -1.26 -5.18 117.46 109.08 2ki8 n PHE 19 Ca -0.20 -2.55 -0.09 0.00 -0.05 0.00 0.00 57.45 54.56 2ki8 n PHE 19 Cb 0.54 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 39.01 2ki8 n PHE 19 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 2ki8 s GLN 20 N -3.52 1.11 0.00 -1.08 -2.07 -1.26 -5.15 119.66 107.70 2ki8 s GLN 20 Ca 0.20 -1.08 0.00 0.00 -1.82 0.00 0.00 55.36 52.66 2ki8 s GLN 20 Cb 0.01 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.32 2ki8 s GLN 20 CO 0.14 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.11 2ki8 n GLY 21 N -0.20 0.17 2.79 2.60 0.00 -1.26 -5.05 105.19 104.24 2ki8 n GLY 21 Ca -0.10 -1.46 -0.16 0.00 0.00 0.00 0.00 46.02 44.31 2ki8 n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ki8 s HIS 22 N -1.81 -0.39 0.77 1.61 2.46 -1.26 -5.15 115.29 111.53 2ki8 s HIS 22 Ca 0.00 -0.78 -0.12 0.00 0.47 0.00 0.00 55.06 54.63 2ki8 s HIS 22 Cb 0.00 -0.36 0.06 0.00 -0.13 0.00 0.00 32.58 32.15 2ki8 s HIS 22 CO 0.00 -0.99 1.11 0.00 -2.47 0.00 0.00 174.74 172.40 2ki8 s MET 23 N 1.41 2.29 -0.08 2.88 0.23 -1.26 -4.81 119.30 119.96 2ki8 s MET 23 Ca 0.17 0.45 0.04 0.00 -1.03 0.00 0.00 55.69 55.32 2ki8 s MET 23 Cb -0.14 -1.96 -0.01 0.00 -1.53 0.00 0.00 34.83 31.19 2ki8 s MET 23 CO -0.03 -1.43 -0.21 -0.51 -2.03 0.00 0.00 175.02 170.81 2ki8 s LEU 24 N -5.60 2.29 -0.25 0.18 1.43 -0.49 -4.99 118.68 111.25 2ki8 s LEU 24 Ca 0.60 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 2ki8 s LEU 24 Cb -0.12 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.65 2ki8 s LEU 24 CO 0.52 0.23 1.07 -0.70 0.23 0.00 0.00 176.35 177.70 2ki8 s GLU 25 N -0.04 4.21 0.14 1.70 2.12 -1.26 -0.42 118.70 125.15 2ki8 s GLU 25 Ca -0.06 1.31 0.03 0.00 0.36 0.00 0.00 54.97 56.61 2ki8 s GLU 25 Cb -0.15 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 2ki8 s GLU 25 CO 0.05 -0.71 -0.06 0.14 -0.54 0.00 0.00 175.26 174.14 2ki8 s VAL 26 N 3.35 0.87 -0.37 3.70 -7.23 0.26 -4.69 120.40 116.29 2ki8 s VAL 26 Ca 0.45 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.49 2ki8 s VAL 26 Cb -0.15 -1.88 -0.00 0.00 0.56 0.00 0.00 36.38 34.91 2ki8 s VAL 26 CO 0.09 -0.71 0.30 -0.70 -0.31 0.00 0.00 175.10 173.77 2ki8 s GLU 27 N -3.82 3.33 -0.39 4.82 2.12 -0.56 -0.05 118.70 124.14 2ki8 s GLU 27 Ca 0.17 -0.72 -0.22 0.00 0.36 0.00 0.00 54.97 54.57 2ki8 s GLU 27 Cb 0.05 -3.87 0.01 0.00 0.26 0.00 0.00 34.13 30.58 2ki8 s GLU 27 CO -0.00 -0.58 0.70 0.08 -0.54 0.00 0.00 175.26 174.92 2ki8 s VAL 28 N 1.80 4.79 0.28 3.70 1.01 0.11 -1.01 120.40 131.08 2ki8 s VAL 28 Ca 0.07 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.63 2ki8 s VAL 28 Cb -0.18 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2ki8 s VAL 28 CO 0.11 -0.47 0.44 -0.63 0.00 0.00 0.00 175.10 174.55 2ki8 s ILE 29 N 2.94 5.19 -0.25 2.22 1.01 -0.23 0.79 121.20 132.88 2ki8 s ILE 29 Ca 0.27 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 2ki8 s ILE 29 Cb -0.14 -3.85 0.08 0.00 0.01 0.00 0.00 42.46 38.57 2ki8 s ILE 29 CO 0.18 -0.41 0.08 -0.44 0.00 0.00 0.00 174.94 174.35 2ki8 s SER 30 N -3.91 3.36 -0.26 3.58 0.01 -1.24 -0.97 113.70 114.28 2ki8 s SER 30 Ca 0.37 -1.16 -0.27 0.00 1.31 0.00 0.00 55.95 56.19 2ki8 s SER 30 Cb -0.09 -0.59 0.01 0.00 0.21 0.00 0.00 66.02 65.55 2ki8 s SER 30 CO 0.32 -0.37 0.97 -0.83 0.41 0.00 0.00 173.24 173.74 2ki8 s GLY 31 N 1.86 1.69 -0.67 3.44 0.00 -0.95 -4.65 107.32 108.03 2ki8 s GLY 31 Ca 0.05 0.01 -0.26 0.00 0.00 0.00 0.00 44.72 44.51 2ki8 s GLY 31 CO -0.20 2.07 2.30 0.50 0.00 0.00 0.00 173.10 177.77 2ki8 s ARG 32 N 3.18 2.00 0.25 2.90 0.52 -1.26 -1.47 118.95 125.07 2ki8 s ARG 32 Ca 0.41 0.76 0.02 0.00 -0.52 0.00 0.00 55.73 56.40 2ki8 s ARG 32 Cb -0.14 -4.70 -0.01 0.00 0.52 0.00 0.00 34.95 30.62 2ki8 s ARG 32 CO 0.09 -3.71 0.05 -2.37 0.02 0.00 0.00 175.30 169.38 2ki8 n THR 33 N 8.22 0.00 -2.27 0.02 5.66 -1.26 -4.71 114.28 119.94 2ki8 n THR 33 Ca 0.39 -1.35 -0.19 0.00 -3.05 0.00 0.00 64.05 59.86 2ki8 n THR 33 Cb 0.49 0.41 -0.02 0.00 -1.55 0.00 0.00 70.33 69.66 2ki8 n THR 33 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2ki8 n LEU 34 N 0.00 -1.82 -1.95 1.09 7.99 -1.26 -4.18 117.00 116.87 2ki8 n LEU 34 Ca -0.06 0.04 -0.00 0.00 -0.01 0.00 0.00 56.01 55.97 2ki8 n LEU 34 Cb 0.35 -2.72 0.00 0.00 -0.11 0.00 0.00 43.42 40.94 2ki8 n LEU 34 CO 0.19 -0.29 -0.17 -3.20 -1.51 0.00 0.00 177.39 172.41 2ki8 n ASN 35 N -1.58 -4.23 0.00 -1.43 5.15 -1.26 -4.47 115.26 107.44 2ki8 n ASN 35 Ca -0.22 0.51 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 2ki8 n ASN 35 Cb 0.67 -2.61 0.00 0.00 -0.53 0.00 0.00 39.78 37.31 2ki8 n ASN 35 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2ki8 n GLN 36 N 0.21 0.00 0.00 1.20 0.00 -1.26 -3.17 117.38 114.36 2ki8 n GLN 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2ki8 n GLN 36 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.25 2ki8 n GLN 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ki8 n GLY 37 N 0.00 -0.73 3.84 1.69 0.00 -1.26 -4.49 105.19 104.23 2ki8 n GLY 37 Ca 0.00 0.35 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 2ki8 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ki8 s ALA 38 N 0.00 3.00 1.07 4.61 0.00 -1.19 -5.06 121.76 124.19 2ki8 s ALA 38 Ca 0.00 0.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 2ki8 s ALA 38 Cb 0.00 -3.14 0.22 0.00 0.00 0.00 0.00 23.12 20.20 2ki8 s ALA 38 CO 0.00 -0.35 1.09 0.95 0.00 0.00 0.00 175.76 177.44 2ki8 s THR 39 N -2.60 1.93 0.45 0.00 -4.23 -1.26 -4.91 115.64 105.01 2ki8 s THR 39 Ca 0.60 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.34 2ki8 s THR 39 Cb -0.11 -2.44 0.27 0.00 1.34 0.00 0.00 72.50 71.56 2ki8 s THR 39 CO 0.33 0.00 2.07 -0.37 -0.54 0.00 0.00 174.62 176.11 2ki8 h VAL 40 N -2.14 0.73 -0.33 2.29 -1.51 -1.97 -2.84 116.25 110.49 2ki8 h VAL 40 Ca -0.54 -0.48 -0.14 0.00 -1.23 0.00 0.00 66.70 64.30 2ki8 h VAL 40 Cb 1.33 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.77 2ki8 h VAL 40 CO 0.53 0.12 -0.37 -0.33 -1.23 0.00 0.00 177.57 176.29 2ki8 h GLU 41 N 0.00 0.77 -0.78 5.19 5.08 -1.97 0.27 114.58 123.14 2ki8 h GLU 41 Ca -0.00 -0.39 0.11 0.00 -1.00 0.00 0.00 59.36 58.08 2ki8 h GLU 41 Cb 0.28 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2ki8 h GLU 41 CO 0.02 1.01 0.51 0.93 -1.00 0.00 0.00 179.01 180.48 2ki8 h GLU 42 N 0.63 0.64 -1.38 2.33 3.07 -1.85 -3.05 114.58 114.97 2ki8 h GLU 42 Ca 0.06 -0.04 -0.47 0.00 -0.50 0.00 0.00 59.36 58.41 2ki8 h GLU 42 Cb 0.92 -0.15 -0.41 0.00 -0.84 0.00 0.00 28.75 28.28 2ki8 h GLU 42 CO 0.08 0.43 -0.98 1.63 -1.40 0.00 0.00 179.01 178.77 2ki8 n LYS 43 N -4.51 2.13 -2.16 2.33 4.01 -1.08 -5.02 118.16 113.86 2ki8 n LYS 43 Ca 0.13 -3.85 -0.31 0.00 -0.51 0.00 0.00 58.31 53.78 2ki8 n LYS 43 Cb 0.36 -1.73 -0.05 0.00 -0.51 0.00 0.00 35.03 33.10 2ki8 n LYS 43 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2ki8 s LEU 44 N -3.24 3.22 0.24 -0.35 1.98 0.93 -4.37 118.68 117.09 2ki8 s LEU 44 Ca 0.38 -1.52 -0.14 0.00 -2.89 0.00 0.00 54.13 49.96 2ki8 s LEU 44 Cb 0.41 -2.58 0.00 0.00 0.66 0.00 0.00 46.19 44.69 2ki8 s LEU 44 CO -0.07 -2.64 0.50 0.28 -1.89 0.00 0.00 176.35 172.53 2ki8 s THR 45 N 9.48 0.01 0.46 3.68 -1.32 -1.26 -5.04 115.64 121.65 2ki8 s THR 45 Ca 0.65 -1.31 0.19 0.00 -1.21 0.00 0.00 61.69 60.02 2ki8 s THR 45 Cb -0.02 -2.11 0.38 0.00 -1.51 0.00 0.00 72.50 69.24 2ki8 s THR 45 CO 0.08 -0.03 1.93 -0.08 -2.21 0.00 0.00 174.62 174.31 2ki8 h GLU 46 N 2.24 0.27 -0.81 7.08 4.81 -1.99 -0.21 114.58 125.97 2ki8 h GLU 46 Ca -0.26 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.07 2ki8 h GLU 46 Cb 1.25 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.49 2ki8 h GLU 46 CO 0.35 0.18 0.42 0.93 -0.73 0.00 0.00 179.01 180.16 2ki8 h GLU 47 N 0.28 0.64 0.00 1.92 4.39 -1.96 0.44 114.58 120.30 2ki8 h GLU 47 Ca 0.35 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.98 2ki8 h GLU 47 Cb 0.99 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2ki8 h GLU 47 CO -0.09 0.43 -0.19 -0.92 -1.16 0.00 0.00 179.01 177.08 2ki8 h TYR 48 N 0.66 0.00 -0.00 4.33 5.03 -1.23 -0.33 116.97 125.43 2ki8 h TYR 48 Ca 0.42 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.73 2ki8 h TYR 48 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.78 2ki8 h TYR 48 CO -0.09 0.19 -0.15 0.34 -1.32 0.00 0.00 178.16 177.13 2ki8 n PHE 49 N -3.94 0.00 0.16 -3.82 7.35 0.09 -3.43 117.46 113.87 2ki8 n PHE 49 Ca -0.02 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.69 2ki8 n PHE 49 Cb 0.28 -0.38 0.01 0.00 0.35 0.00 0.00 39.48 39.73 2ki8 n PHE 49 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2ki8 n ASN 50 N -1.43 1.25 -0.12 -2.13 3.02 -0.65 -4.56 115.26 110.65 2ki8 n ASN 50 Ca 0.08 -1.13 -0.22 0.00 -0.03 0.00 0.00 54.58 53.28 2ki8 n ASN 50 Cb 0.33 0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.46 2ki8 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ki8 n ALA 51 N 0.15 0.95 -1.03 5.41 0.00 -0.23 -4.72 120.51 121.04 2ki8 n ALA 51 Ca 0.02 -0.80 0.09 0.00 0.00 0.00 0.00 53.44 52.75 2ki8 n ALA 51 Cb 0.09 -0.11 0.19 0.00 0.00 0.00 0.00 19.45 19.62 2ki8 n ALA 51 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2ki8 n VAL 52 N -4.37 2.04 -0.84 0.00 0.24 -1.23 -4.73 118.33 109.44 2ki8 n VAL 52 Ca -0.38 -2.10 0.08 0.00 -2.04 0.00 0.00 64.34 59.90 2ki8 n VAL 52 Cb 0.71 -0.24 0.39 0.00 -1.47 0.00 0.00 33.84 33.23 2ki8 n VAL 52 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2ki8 n ASN 53 N -1.05 5.42 -4.04 -1.34 5.03 -1.26 -4.57 115.26 113.44 2ki8 n ASN 53 Ca 0.18 -2.81 -0.10 0.00 0.87 0.00 0.00 54.58 52.72 2ki8 n ASN 53 Cb 0.74 -0.65 -0.08 0.00 -1.02 0.00 0.00 39.78 38.76 2ki8 n ASN 53 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2ki8 s TYR 54 N -2.53 0.60 0.01 3.10 -0.85 -1.26 -1.79 117.35 114.62 2ki8 s TYR 54 Ca 0.53 -0.96 0.03 0.00 -0.52 0.00 0.00 57.07 56.16 2ki8 s TYR 54 Cb 0.39 -0.23 -0.01 0.00 0.38 0.00 0.00 41.96 42.49 2ki8 s TYR 54 CO 0.18 -0.65 -0.11 0.00 -1.52 0.00 0.00 175.55 173.45 2ki8 s ALA 55 N -4.01 0.87 -0.29 9.51 0.00 -0.24 -4.30 121.76 123.30 2ki8 s ALA 55 Ca 0.21 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 2ki8 s ALA 55 Cb 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2ki8 s ALA 55 CO 0.01 0.18 0.19 -1.21 0.00 0.00 0.00 175.76 174.93 2ki8 s GLU 56 N -0.60 3.75 0.13 0.00 2.02 0.07 -0.69 118.70 123.39 2ki8 s GLU 56 Ca 0.02 -0.45 0.06 0.00 0.02 0.00 0.00 54.97 54.62 2ki8 s GLU 56 Cb -0.05 -3.65 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 2ki8 s GLU 56 CO 0.00 -0.27 -0.02 0.42 0.02 0.00 0.00 175.26 175.41 2ki8 s ILE 57 N 1.72 3.75 0.65 -1.63 1.09 0.56 -2.04 121.20 125.30 2ki8 s ILE 57 Ca 0.06 -1.25 -0.16 0.00 -1.10 0.00 0.00 60.65 58.21 2ki8 s ILE 57 Cb -0.16 -2.83 -0.01 0.00 -1.06 0.00 0.00 42.46 38.40 2ki8 s ILE 57 CO 0.10 0.01 1.13 0.21 -0.10 0.00 0.00 174.94 176.29 2ki8 s ASN 58 N -2.58 5.08 0.17 3.58 3.84 -1.26 -1.32 114.94 122.45 2ki8 s ASN 58 Ca 0.26 2.10 -0.14 0.00 0.21 0.00 0.00 52.86 55.28 2ki8 s ASN 58 Cb -0.10 -2.56 0.09 0.00 -0.55 0.00 0.00 41.25 38.12 2ki8 s ASN 58 CO 0.17 -1.65 1.78 -0.08 -2.79 0.00 0.00 177.10 174.53 2ki8 h GLU 59 N 0.23 0.43 -0.19 0.43 4.57 -1.87 0.18 114.58 118.36 2ki8 h GLU 59 Ca -0.48 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2ki8 h GLU 59 Cb 1.26 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 2ki8 h GLU 59 CO 0.54 0.29 0.10 0.93 -1.18 0.00 0.00 179.01 179.68 2ki8 h GLU 60 N 0.44 0.26 -0.38 1.92 5.08 -1.98 -1.11 114.58 118.83 2ki8 h GLU 60 Ca 0.19 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2ki8 h GLU 60 Cb 0.10 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2ki8 h GLU 60 CO -0.14 0.27 -0.10 -0.44 -1.00 0.00 0.00 179.01 177.61 2ki8 h ASP 61 N 0.19 0.63 0.10 1.42 3.32 -1.92 -1.02 116.42 119.14 2ki8 h ASP 61 Ca 0.07 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.96 2ki8 h ASP 61 Cb 0.09 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 2ki8 h ASP 61 CO -0.01 0.77 -0.24 -0.25 -1.72 0.00 0.00 179.24 177.79 2ki8 h TRP 62 N 0.60 -0.64 -0.27 4.55 2.91 -0.22 -1.03 115.95 121.85 2ki8 h TRP 62 Ca 0.11 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.09 2ki8 h TRP 62 Cb 0.52 0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 29.43 2ki8 h TRP 62 CO 0.02 -0.34 -0.08 -0.91 -1.03 0.00 0.00 178.44 176.11 2ki8 h ASN 63 N -0.43 0.42 -0.62 2.65 2.35 -1.14 -0.97 115.58 117.84 2ki8 h ASN 63 Ca 0.03 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2ki8 h ASN 63 Cb 0.46 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 2ki8 h ASN 63 CO -0.15 0.54 0.41 0.00 -1.65 0.00 0.00 177.43 176.58 2ki8 h ALA 64 N 1.51 0.79 -0.00 -0.83 0.00 -0.53 -2.11 119.26 118.08 2ki8 h ALA 64 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ki8 h ALA 64 Cb 0.40 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ki8 h ALA 64 CO 0.02 0.23 -0.21 1.28 0.00 0.00 0.00 179.25 180.56 2ki8 n LEU 65 N -4.65 0.26 -2.38 0.00 4.77 -0.45 -4.96 117.00 109.61 2ki8 n LEU 65 Ca 0.05 0.23 -0.12 0.00 -0.03 0.00 0.00 56.01 56.14 2ki8 n LEU 65 Cb 0.02 -0.36 0.05 0.00 -2.33 0.00 0.00 43.42 40.81 2ki8 n LEU 65 CO 0.36 0.06 0.10 0.61 -1.33 0.00 0.00 177.39 177.19 2ki8 n GLY 66 N 1.47 0.02 3.91 -0.72 0.00 -0.66 -4.66 105.19 104.54 2ki8 n GLY 66 Ca 0.07 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 2ki8 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ki8 s LEU 67 N -4.61 2.94 -0.13 0.99 1.43 -0.46 -5.03 118.68 113.81 2ki8 s LEU 67 Ca 0.15 0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 53.98 2ki8 s LEU 67 Cb -0.07 -3.52 0.06 0.00 0.03 0.00 0.00 46.19 42.70 2ki8 s LEU 67 CO 0.43 -1.39 0.27 -1.58 0.23 0.00 0.00 176.35 174.32 2ki8 s GLN 68 N -5.24 0.17 -0.89 1.70 0.74 -1.26 -4.87 119.66 110.01 2ki8 s GLN 68 Ca 0.58 0.74 -0.28 0.00 0.05 0.00 0.00 55.36 56.45 2ki8 s GLN 68 Cb -0.11 -0.02 -0.20 0.00 1.10 0.00 0.00 33.01 33.78 2ki8 s GLN 68 CO 0.47 -0.27 2.58 0.39 -0.55 0.00 0.00 175.29 177.92 2ki8 n GLU 69 N 5.20 0.22 0.00 1.67 1.02 -1.26 -0.22 120.64 127.27 2ki8 n GLU 69 Ca -0.09 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2ki8 n GLU 69 Cb 0.50 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2ki8 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ki8 n GLY 70 N 6.31 0.83 2.60 0.62 0.00 -1.18 -5.08 105.19 109.30 2ki8 n GLY 70 Ca 0.60 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.42 2ki8 n GLY 70 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ki8 n ASP 71 N 0.00 0.07 -4.47 1.61 5.75 0.69 -4.74 116.55 115.46 2ki8 n ASP 71 Ca 0.00 -1.32 -0.35 0.00 -0.01 0.00 0.00 54.79 53.10 2ki8 n ASP 71 Cb 0.00 -0.69 -0.12 0.00 -1.03 0.00 0.00 41.12 39.28 2ki8 n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2ki8 s ARG 72 N -4.96 3.67 0.04 0.11 3.00 -1.26 -1.71 118.95 117.83 2ki8 s ARG 72 Ca 0.51 -0.49 0.07 0.00 0.00 0.00 0.00 55.73 55.82 2ki8 s ARG 72 Cb -0.01 -3.18 -0.03 0.00 0.00 0.00 0.00 34.95 31.73 2ki8 s ARG 72 CO 0.36 -0.03 -0.16 0.14 0.00 0.00 0.00 175.30 175.60 2ki8 s VAL 73 N 1.14 2.91 0.04 3.52 -7.23 -0.57 -3.20 120.40 117.02 2ki8 s VAL 73 Ca 0.03 -1.13 0.03 0.00 -1.81 0.00 0.00 61.98 59.11 2ki8 s VAL 73 Cb -0.14 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2ki8 s VAL 73 CO 0.02 0.34 -0.01 -0.75 -0.31 0.00 0.00 175.10 174.40 2ki8 s LYS 74 N -1.44 2.64 -0.06 4.82 2.20 -0.24 -0.89 119.74 126.77 2ki8 s LYS 74 Ca 0.15 -0.73 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 2ki8 s LYS 74 Cb -0.11 -2.59 0.02 0.00 -1.51 0.00 0.00 37.83 33.64 2ki8 s LYS 74 CO 0.06 0.58 -0.10 0.08 -0.36 0.00 0.00 175.35 175.61 2ki8 s VAL 75 N -1.17 0.94 -0.08 4.02 1.01 0.33 -0.84 120.40 124.61 2ki8 s VAL 75 Ca 0.22 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2ki8 s VAL 75 Cb -0.12 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2ki8 s VAL 75 CO 0.13 0.31 -0.08 -0.54 0.00 0.00 0.00 175.10 174.93 2ki8 s LYS 76 N 0.77 1.34 0.05 2.72 1.02 0.23 -1.28 119.74 124.60 2ki8 s LYS 76 Ca -0.13 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.63 2ki8 s LYS 76 Cb -0.15 -1.30 -0.00 0.00 -0.52 0.00 0.00 37.83 35.86 2ki8 s LYS 76 CO 0.02 -0.13 0.01 0.25 -0.92 0.00 0.00 175.35 174.58 2ki8 n THR 77 N 4.38 0.00 1.13 2.17 -2.24 -0.51 0.21 114.28 119.41 2ki8 n THR 77 Ca -0.18 -0.27 0.12 0.00 -2.27 0.00 0.00 64.05 61.45 2ki8 n THR 77 Cb 0.51 0.08 0.61 0.00 -2.10 0.00 0.00 70.33 69.43 2ki8 n THR 77 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2ki8 n GLU 78 N -0.12 0.29 -0.07 -0.78 0.28 -1.26 -3.90 120.64 115.09 2ki8 n GLU 78 Ca -0.01 0.05 -0.05 0.00 -0.16 0.00 0.00 57.16 56.99 2ki8 n GLU 78 Cb 0.07 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.42 2ki8 n GLU 78 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2ki8 n PHE 79 N -1.32 0.71 -0.52 -1.84 3.01 -1.26 -5.12 117.46 111.12 2ki8 n PHE 79 Ca 0.11 0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.88 2ki8 n PHE 79 Cb 0.21 -0.68 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 2ki8 n PHE 79 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ki8 n GLY 80 N 1.60 3.13 3.33 1.37 0.00 -1.04 -4.98 105.19 108.60 2ki8 n GLY 80 Ca -0.08 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 2ki8 n GLY 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ki8 s GLU 81 N 3.67 1.08 -0.15 1.61 4.04 -1.04 -1.43 118.70 126.47 2ki8 s GLU 81 Ca 0.00 -0.63 -0.24 0.00 0.04 0.00 0.00 54.97 54.14 2ki8 s GLU 81 Cb 0.00 0.48 0.06 0.00 0.02 0.00 0.00 34.13 34.69 2ki8 s GLU 81 CO 0.00 -0.42 0.61 0.54 -1.84 0.00 0.00 175.26 174.15 2ki8 s VAL 82 N -3.62 0.01 -0.27 1.83 0.11 -0.40 -4.79 120.40 113.27 2ki8 s VAL 82 Ca 0.02 -0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 58.93 2ki8 s VAL 82 Cb 0.01 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 2ki8 s VAL 82 CO -0.11 -0.03 0.10 -0.69 -3.33 0.00 0.00 175.10 171.04 2ki8 s VAL 83 N -0.36 4.41 0.41 2.04 1.01 -1.26 -0.52 120.40 126.13 2ki8 s VAL 83 Ca -0.05 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2ki8 s VAL 83 Cb -0.03 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2ki8 s VAL 83 CO 0.04 0.25 0.10 0.68 0.00 0.00 0.00 175.10 176.17 2ki8 s VAL 84 N 1.61 0.80 0.26 2.92 -7.23 -0.07 -2.38 120.40 116.31 2ki8 s VAL 84 Ca 0.06 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.94 2ki8 s VAL 84 Cb -0.16 -2.41 -0.09 0.00 0.56 0.00 0.00 36.38 34.28 2ki8 s VAL 84 CO 0.05 0.00 0.95 -0.36 -0.31 0.00 0.00 175.10 175.43 2ki8 s PHE 85 N -3.18 3.89 -0.17 2.82 0.08 -0.74 -1.51 117.98 119.16 2ki8 s PHE 85 Ca 0.24 1.87 -0.18 0.00 0.12 0.00 0.00 56.93 58.98 2ki8 s PHE 85 Cb 0.04 -2.99 -0.04 0.00 -0.57 0.00 0.00 43.02 39.46 2ki8 s PHE 85 CO 0.13 0.32 0.50 0.00 -0.10 0.00 0.00 175.22 176.07 2ki8 s ALA 86 N -1.27 3.52 0.03 5.36 0.00 -0.70 -1.08 121.76 127.61 2ki8 s ALA 86 Ca 0.43 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.12 2ki8 s ALA 86 Cb -0.25 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 2ki8 s ALA 86 CO 0.31 -0.29 -0.18 0.15 0.00 0.00 0.00 175.76 175.75 2ki8 s LYS 87 N 1.29 1.25 -0.23 0.00 1.02 0.14 -3.07 119.74 120.14 2ki8 s LYS 87 Ca 0.25 -0.79 -0.21 0.00 0.02 0.00 0.00 55.97 55.23 2ki8 s LYS 87 Cb -0.15 -1.29 -0.02 0.00 -0.52 0.00 0.00 37.83 35.84 2ki8 s LYS 87 CO 0.10 0.34 0.66 0.21 -0.92 0.00 0.00 175.35 175.73 2ki8 s LYS 88 N -0.94 4.16 0.46 1.68 2.20 -1.26 -0.33 119.74 125.71 2ki8 s LYS 88 Ca 0.06 0.63 0.02 0.00 -0.36 0.00 0.00 55.97 56.32 2ki8 s LYS 88 Cb -0.08 -3.62 -0.01 0.00 -1.51 0.00 0.00 37.83 32.61 2ki8 s LYS 88 CO 0.01 -0.36 0.08 0.41 -0.36 0.00 0.00 175.35 175.13 2ki8 n GLY 89 N 3.96 3.39 1.19 5.54 0.00 -0.43 -4.84 105.19 114.00 2ki8 n GLY 89 Ca 0.00 -2.24 0.04 0.00 0.00 0.00 0.00 46.02 43.82 2ki8 n GLY 89 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ki8 n ASP 90 N -1.41 3.40 -4.79 1.61 8.00 -1.26 -4.50 116.55 117.60 2ki8 n ASP 90 Ca -0.13 -2.45 -0.34 0.00 0.71 0.00 0.00 54.79 52.58 2ki8 n ASP 90 Cb 0.63 -0.56 -0.00 0.00 -0.02 0.00 0.00 41.12 41.17 2ki8 n ASP 90 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2ki8 s VAL 91 N -1.90 3.53 0.91 2.53 -7.23 -1.26 -5.03 120.40 111.95 2ki8 s VAL 91 Ca 0.29 0.86 -0.10 0.00 -1.81 0.00 0.00 61.98 61.22 2ki8 s VAL 91 Cb 0.21 -3.34 0.14 0.00 0.56 0.00 0.00 36.38 33.96 2ki8 s VAL 91 CO 0.10 -0.29 1.13 -2.84 -0.31 0.00 0.00 175.10 172.88 2ki8 s PRO 92 N -3.57 1.11 0.29 4.82 0.02 -1.26 -4.39 135.00 132.02 2ki8 s PRO 92 Ca 0.68 1.44 -0.29 0.00 0.02 0.00 0.00 61.00 62.85 2ki8 s PRO 92 Cb -0.19 -1.75 -0.10 0.00 0.02 0.00 0.00 34.50 32.49 2ki8 s PRO 92 CO 0.29 -2.54 1.27 0.21 -0.33 0.00 0.00 177.00 175.90 2ki8 s LYS 93 N -4.68 4.42 -1.16 5.54 2.20 -1.26 -2.31 119.74 122.49 2ki8 s LYS 93 Ca 0.66 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 58.37 2ki8 s LYS 93 Cb -0.22 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 2ki8 s LYS 93 CO 0.58 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 2ki8 n GLY 94 N 1.23 0.36 3.23 5.54 0.00 -1.26 -5.00 105.19 109.28 2ki8 n GLY 94 Ca 0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 2ki8 n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ki8 s MET 95 N -4.09 0.38 0.03 1.61 0.00 -0.98 -1.50 119.30 114.75 2ki8 s MET 95 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 55.69 56.28 2ki8 s MET 95 Cb 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 34.83 34.92 2ki8 s MET 95 CO 0.00 -0.09 -0.08 0.96 0.00 0.00 0.00 175.02 175.81 2ki8 s ILE 96 N 0.58 0.58 -0.17 10.11 -4.36 -0.18 -4.30 121.20 123.46 2ki8 s ILE 96 Ca -0.03 -0.84 -0.06 0.00 -0.26 0.00 0.00 60.65 59.46 2ki8 s ILE 96 Cb -0.05 -0.59 -0.03 0.00 1.25 0.00 0.00 42.46 43.04 2ki8 s ILE 96 CO -0.04 -0.20 0.02 0.12 0.24 0.00 0.00 174.94 175.08 2ki8 s PHE 97 N -0.98 3.15 -0.07 1.37 5.36 -0.86 -1.06 117.98 124.89 2ki8 s PHE 97 Ca -0.05 -0.09 0.04 0.00 -0.96 0.00 0.00 56.93 55.86 2ki8 s PHE 97 Cb -0.08 -2.02 0.00 0.00 -0.34 0.00 0.00 43.02 40.59 2ki8 s PHE 97 CO 0.00 0.08 -0.19 0.42 -1.46 0.00 0.00 175.22 174.07 2ki8 s ILE 98 N 0.33 1.60 0.23 3.12 1.01 -0.14 -0.75 121.20 126.61 2ki8 s ILE 98 Ca -0.00 -0.78 -0.32 0.00 0.00 0.00 0.00 60.65 59.56 2ki8 s ILE 98 Cb -0.13 -1.40 -0.12 0.00 0.01 0.00 0.00 42.46 40.82 2ki8 s ILE 98 CO 0.01 0.46 1.65 -2.65 0.00 0.00 0.00 174.94 174.41 2ki8 n PRO 99 N 3.44 2.63 -1.47 2.79 -0.02 -1.26 -2.25 135.00 138.87 2ki8 n PRO 99 Ca -0.20 0.94 -0.48 0.00 -2.02 0.00 0.00 63.50 61.75 2ki8 n PRO 99 Cb 0.52 -2.75 -0.07 0.00 -0.02 0.00 0.00 33.50 31.18 2ki8 n PRO 99 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2ki8 n MET 100 N 3.22 1.01 -3.09 -0.52 0.00 -0.54 -4.59 117.12 112.61 2ki8 n MET 100 Ca 0.14 0.24 -0.03 0.00 -0.00 0.00 0.00 57.70 58.05 2ki8 n MET 100 Cb 0.34 -2.52 0.02 0.00 0.00 0.00 0.00 33.22 31.06 2ki8 n MET 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ki8 n GLY 101 N 6.46 0.89 0.36 -5.12 0.00 -1.26 -4.66 105.19 101.86 2ki8 n GLY 101 Ca 0.43 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 45.46 2ki8 n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ki8 h PRO 102 N 0.00 0.58 0.14 1.61 0.13 -1.89 0.19 132.00 132.76 2ki8 h PRO 102 Ca -0.20 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 2ki8 h PRO 102 Cb 0.84 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2ki8 h PRO 102 CO 0.26 0.38 -0.07 1.88 -0.23 0.00 0.00 178.00 180.22 2ki8 h TYR 103 N 0.59 -0.18 -0.73 1.56 -1.99 -1.91 -2.51 116.97 111.80 2ki8 h TYR 103 Ca 0.34 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.04 2ki8 h TYR 103 Cb 0.54 0.06 -0.03 0.00 2.00 0.00 0.00 36.73 39.29 2ki8 h TYR 103 CO -0.00 -0.03 0.36 0.00 -0.00 0.00 0.00 178.16 178.49 2ki8 h ALA 104 N 0.56 1.25 -0.34 3.88 0.00 -1.63 -2.36 119.26 120.63 2ki8 h ALA 104 Ca -0.02 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.85 2ki8 h ALA 104 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2ki8 h ALA 104 CO 0.03 0.58 0.35 -0.97 0.00 0.00 0.00 179.25 179.24 2ki8 h ASN 105 N 1.04 0.00 0.80 0.00 -1.24 -0.33 0.25 115.58 116.09 2ki8 h ASN 105 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.26 2ki8 h ASN 105 Cb 0.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2ki8 h ASN 105 CO -0.03 0.00 0.00 0.24 -1.29 0.00 0.00 177.43 176.35 2ki8 h MET 106 N 0.00 0.00 0.00 6.67 2.86 -0.99 -3.34 114.93 120.13 2ki8 h MET 106 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2ki8 h MET 106 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2ki8 h MET 106 CO -0.00 0.00 -0.37 1.33 1.06 0.00 0.00 176.91 178.93 2ki8 n VAL 107 N -2.58 0.00 -2.96 -2.22 0.24 0.21 -2.50 118.33 108.53 2ki8 n VAL 107 Ca 0.01 -0.02 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 2ki8 n VAL 107 Cb 0.25 0.28 0.08 0.00 -1.47 0.00 0.00 33.84 32.98 2ki8 n VAL 107 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2ki8 s ILE 108 N -0.78 2.00 -0.29 1.34 -4.36 0.62 -4.53 121.20 115.21 2ki8 s ILE 108 Ca 0.00 -0.92 -0.09 0.00 -0.26 0.00 0.00 60.65 59.37 2ki8 s ILE 108 Cb 0.00 -2.08 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 2ki8 s ILE 108 CO 0.00 0.00 0.13 -0.62 0.24 0.00 0.00 174.94 174.69 2ki8 s ASP 109 N -4.74 5.50 0.00 4.36 2.15 -1.26 -4.87 116.67 117.81 2ki8 s ASP 109 Ca 0.64 -0.36 0.07 0.00 0.43 0.00 0.00 52.55 53.33 2ki8 s ASP 109 Cb -0.05 -2.00 0.26 0.00 -0.30 0.00 0.00 42.92 40.83 2ki8 s ASP 109 CO 0.41 -0.13 1.19 -0.81 -0.17 0.00 0.00 175.17 175.67 2ki8 n PRO 110 N 4.98 1.38 -0.31 4.34 -0.04 -1.26 -4.34 135.00 139.75 2ki8 n PRO 110 Ca -0.15 -0.59 -0.04 0.00 -0.04 0.00 0.00 63.50 62.68 2ki8 n PRO 110 Cb 0.50 -1.16 0.02 0.00 -0.04 0.00 0.00 33.50 32.83 2ki8 n PRO 110 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ki8 n SER 111 N -0.05 3.83 0.00 3.54 7.64 -1.26 -4.45 113.62 122.87 2ki8 n SER 111 Ca 0.07 -2.35 0.12 0.00 1.01 0.00 0.00 58.87 57.72 2ki8 n SER 111 Cb 0.15 -0.70 0.72 0.00 -1.01 0.00 0.00 64.21 63.36 2ki8 n SER 111 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2ki8 n THR 112 N 0.49 0.00 -2.28 0.44 -2.24 -1.26 -4.84 114.28 104.59 2ki8 n THR 112 Ca 0.09 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 2ki8 n THR 112 Cb 0.64 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 2ki8 n THR 112 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2ki8 s ASP 113 N -1.80 6.98 0.00 3.42 1.11 -1.26 -3.20 116.67 121.91 2ki8 s ASP 113 Ca 0.36 2.35 0.00 0.00 0.18 0.00 0.00 52.55 55.44 2ki8 s ASP 113 Cb 0.17 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.54 2ki8 s ASP 113 CO 0.28 -0.45 0.00 0.61 1.18 0.00 0.00 175.17 176.79 2ki8 n GLY 114 N 2.13 0.69 3.84 0.21 0.00 -1.26 -5.06 105.19 105.74 2ki8 n GLY 114 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2ki8 n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ki8 s THR 115 N -2.03 5.11 -0.11 2.61 -4.23 -1.20 -5.11 115.64 110.68 2ki8 s THR 115 Ca 0.00 -0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 2ki8 s THR 115 Cb 0.00 -3.32 -0.02 0.00 1.34 0.00 0.00 72.50 70.51 2ki8 s THR 115 CO 0.00 0.42 -0.14 -0.83 -0.54 0.00 0.00 174.62 173.53 2ki8 s GLY 116 N -1.58 1.52 0.31 3.99 0.00 -1.26 -4.99 107.32 105.31 2ki8 s GLY 116 Ca 0.22 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.03 2ki8 s GLY 116 CO 0.12 -0.33 0.00 1.03 0.00 0.00 0.00 173.10 173.93 2ki8 n MET 117 N 3.25 -3.39 0.10 2.90 2.81 -1.26 -4.94 117.12 116.60 2ki8 n MET 117 Ca -0.18 2.48 -0.24 0.00 -1.81 0.00 0.00 57.70 57.95 2ki8 n MET 117 Cb 0.53 -2.75 -0.15 0.00 -0.71 0.00 0.00 33.22 30.13 2ki8 n MET 117 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2ki8 h PRO 118 N 1.65 0.45 -2.69 0.03 0.13 -2.01 -3.51 132.00 126.05 2ki8 h PRO 118 Ca 0.00 -0.76 0.02 0.00 -0.87 0.00 0.00 66.00 64.39 2ki8 h PRO 118 Cb 0.00 0.28 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 2ki8 h PRO 118 CO 0.00 1.36 -0.72 0.94 -0.23 0.00 0.00 178.00 179.35 2ki8 n GLN 119 N -3.63 -2.94 -2.12 0.86 7.27 -1.26 -4.56 117.38 111.00 2ki8 n GLN 119 Ca -0.22 2.29 -0.37 0.00 0.07 0.00 0.00 57.00 58.77 2ki8 n GLN 119 Cb 1.09 -2.90 -0.03 0.00 2.41 0.00 0.00 30.24 30.81 2ki8 n GLN 119 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2ki8 n PHE 120 N -2.42 3.45 -3.72 3.69 3.72 -1.26 -4.85 117.46 116.07 2ki8 n PHE 120 Ca -0.01 -2.19 -0.10 0.00 -0.05 0.00 0.00 57.45 55.11 2ki8 n PHE 120 Cb 0.36 -2.51 -0.04 0.00 -0.94 0.00 0.00 39.48 36.36 2ki8 n PHE 120 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 2ki8 s LYS 121 N 5.09 1.39 0.21 -1.08 0.00 -1.26 -5.19 119.74 118.89 2ki8 s LYS 121 Ca 0.59 -0.84 0.01 0.00 0.00 0.00 0.00 55.97 55.73 2ki8 s LYS 121 Cb 0.05 0.53 -0.00 0.00 0.00 0.00 0.00 37.83 38.40 2ki8 s LYS 121 CO 0.09 -0.59 0.25 0.41 0.00 0.00 0.00 175.35 175.50 2ki8 n GLY 122 N -0.35 2.86 3.65 0.59 0.00 -1.26 -4.79 105.19 105.90 2ki8 n GLY 122 Ca -0.10 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 2ki8 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ki8 s VAL 123 N -2.73 4.59 0.70 1.61 1.01 0.24 -4.64 120.40 121.18 2ki8 s VAL 123 Ca 0.21 1.86 -0.14 0.00 0.00 0.00 0.00 61.98 63.91 2ki8 s VAL 123 Cb 0.00 -4.36 0.02 0.00 0.00 0.00 0.00 36.38 32.04 2ki8 s VAL 123 CO 0.15 -0.34 1.14 -0.54 0.00 0.00 0.00 175.10 175.50 2ki8 s LYS 124 N 3.43 2.47 0.00 2.72 1.02 -1.26 0.07 119.74 128.19 2ki8 s LYS 124 Ca 0.45 1.47 0.00 0.00 0.02 0.00 0.00 55.97 57.91 2ki8 s LYS 124 Cb -0.13 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2ki8 s LYS 124 CO 0.11 -1.52 0.00 0.41 -0.92 0.00 0.00 175.35 173.43 2ki8 n GLY 125 N -0.31 -0.87 3.05 -3.33 0.00 0.92 -4.56 105.19 100.09 2ki8 n GLY 125 Ca 0.11 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 2ki8 n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ki8 s THR 126 N -4.00 0.31 0.04 2.61 -4.23 0.13 -0.58 115.64 109.92 2ki8 s THR 126 Ca 0.00 -1.26 0.06 0.00 -1.18 0.00 0.00 61.69 59.30 2ki8 s THR 126 Cb 0.00 -0.78 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 2ki8 s THR 126 CO 0.00 -0.62 -0.16 0.54 -0.54 0.00 0.00 174.62 173.83 2ki8 s VAL 127 N -2.22 1.31 0.00 2.29 0.11 0.44 -0.60 120.40 121.74 2ki8 s VAL 127 Ca -0.06 -1.06 -0.13 0.00 -2.93 0.00 0.00 61.98 57.80 2ki8 s VAL 127 Cb -0.04 -1.16 0.02 0.00 -1.53 0.00 0.00 36.38 33.66 2ki8 s VAL 127 CO -0.03 0.09 0.27 -1.83 -3.33 0.00 0.00 175.10 170.27 2ki8 s GLU 128 N -1.12 0.67 -0.44 1.54 -1.05 -0.02 -1.40 118.70 116.88 2ki8 s GLU 128 Ca 0.04 -0.32 -0.28 0.00 -0.15 0.00 0.00 54.97 54.26 2ki8 s GLU 128 Cb -0.08 0.29 -0.02 0.00 -0.44 0.00 0.00 34.13 33.89 2ki8 s GLU 128 CO 0.01 -0.19 1.77 0.21 0.95 0.00 0.00 175.26 178.02 2ki8 s LYS 129 N -1.67 3.11 0.27 -4.83 2.47 -1.26 -1.08 119.74 116.76 2ki8 s LYS 129 Ca -0.11 1.08 0.06 0.00 -1.56 0.00 0.00 55.97 55.43 2ki8 s LYS 129 Cb -0.04 -4.24 -0.02 0.00 -1.46 0.00 0.00 37.83 32.06 2ki8 s LYS 129 CO 0.02 -2.13 0.38 -0.08 0.16 0.00 0.00 175.35 173.69 2ki8 s THR 130 N 7.49 4.76 -2.85 3.43 -1.32 -1.19 -4.95 115.64 121.00 2ki8 s THR 130 Ca 0.73 -1.05 0.23 0.00 -1.21 0.00 0.00 61.69 60.40 2ki8 s THR 130 Cb -0.18 -3.65 0.22 0.00 -1.51 0.00 0.00 72.50 67.38 2ki8 s THR 130 CO 0.29 -0.27 1.26 -0.67 -2.21 0.00 0.00 174.62 173.02 2ki8 n ASP 131 N -1.46 3.02 -4.43 8.08 2.03 -1.26 -4.82 116.55 117.71 2ki8 n ASP 131 Ca -0.06 -1.98 -0.26 0.00 0.52 0.00 0.00 54.79 53.02 2ki8 n ASP 131 Cb 0.58 -0.03 0.15 0.00 -0.72 0.00 0.00 41.12 41.09 2ki8 n ASP 131 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2ki8 s GLU 132 N -1.88 1.17 0.27 -0.67 2.02 -1.26 -5.11 118.70 113.23 2ki8 s GLU 132 Ca 0.29 -1.00 0.06 0.00 0.02 0.00 0.00 54.97 54.33 2ki8 s GLU 132 Cb 0.20 -2.17 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 2ki8 s GLU 132 CO 0.29 -1.88 0.39 -1.59 0.02 0.00 0.00 175.26 172.49 2ki8 s LYS 133 N -5.43 3.32 0.26 1.61 0.00 -1.26 -4.90 119.74 113.35 2ki8 s LYS 133 Ca 0.71 -0.85 -0.29 0.00 0.00 0.00 0.00 55.97 55.53 2ki8 s LYS 133 Cb -0.04 -2.85 -0.09 0.00 0.00 0.00 0.00 37.83 34.85 2ki8 s LYS 133 CO 0.48 0.32 1.25 0.08 0.00 0.00 0.00 175.35 177.47 2ki8 s VAL 134 N -2.05 3.14 -0.77 1.79 1.01 -1.26 -4.77 120.40 117.50 2ki8 s VAL 134 Ca 0.37 1.05 -0.26 0.00 0.00 0.00 0.00 61.98 63.14 2ki8 s VAL 134 Cb -0.09 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2ki8 s VAL 134 CO 0.29 0.21 1.43 -0.76 0.00 0.00 0.00 175.10 176.28 2ki8 s LEU 135 N -1.00 3.23 0.73 3.92 1.43 -1.00 -5.00 118.68 121.00 2ki8 s LEU 135 Ca 0.51 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 2ki8 s LEU 135 Cb -0.36 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.30 2ki8 s LEU 135 CO 0.44 -1.92 0.86 -1.54 0.23 0.00 0.00 176.35 174.41 2ki8 n SER 136 N 10.08 0.01 -0.21 2.29 3.41 -1.26 -4.54 113.62 123.41 2ki8 n SER 136 Ca 0.12 0.63 -0.05 0.00 -0.26 0.00 0.00 58.87 59.32 2ki8 n SER 136 Cb 0.50 -1.36 0.01 0.00 -0.26 0.00 0.00 64.21 63.10 2ki8 n SER 136 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2ki8 h VAL 137 N -0.37 0.18 -0.18 -3.33 2.07 -1.96 0.12 116.25 112.78 2ki8 h VAL 137 Ca -0.47 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.89 2ki8 h VAL 137 Cb 1.33 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2ki8 h VAL 137 CO 0.45 0.00 -0.53 0.50 0.02 0.00 0.00 177.57 178.01 2ki8 h LYS 138 N -0.15 0.68 -1.01 1.57 3.64 -2.00 -2.31 116.57 117.00 2ki8 h LYS 138 Ca 0.24 -0.49 0.08 0.00 -1.27 0.00 0.00 60.65 59.21 2ki8 h LYS 138 Cb 0.55 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.38 2ki8 h LYS 138 CO -0.68 1.11 0.65 1.49 -2.27 0.00 0.00 179.45 179.74 2ki8 h GLU 139 N 0.37 1.10 -0.82 1.90 4.57 -1.72 0.61 114.58 120.59 2ki8 h GLU 139 Ca -0.02 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2ki8 h GLU 139 Cb 1.15 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.45 2ki8 h GLU 139 CO 0.11 0.73 0.51 1.25 -1.18 0.00 0.00 179.01 180.43 2ki8 h LEU 140 N 1.13 0.97 0.43 1.64 6.46 -0.70 0.00 115.31 125.23 2ki8 h LEU 140 Ca 0.45 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 58.15 2ki8 h LEU 140 Cb 0.26 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 2ki8 h LEU 140 CO -0.20 0.73 -0.27 -0.07 -0.62 0.00 0.00 178.44 178.01 2ki8 h LEU 141 N 1.11 -0.68 -1.45 2.25 3.38 -0.35 -1.94 115.31 117.64 2ki8 h LEU 141 Ca 0.29 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 2ki8 h LEU 141 Cb -0.07 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2ki8 h LEU 141 CO -0.06 -0.42 -0.20 -0.33 0.09 0.00 0.00 178.44 177.52 2ki8 h GLU 142 N -0.67 0.11 0.24 1.13 5.08 -1.11 0.28 114.58 119.63 2ki8 h GLU 142 Ca -0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2ki8 h GLU 142 Cb 0.55 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2ki8 h GLU 142 CO 0.04 0.31 -0.11 0.00 -1.00 0.00 0.00 179.01 178.25 2ki8 h ALA 143 N 1.70 -0.32 0.00 3.43 0.00 -0.73 -3.10 119.26 120.24 2ki8 h ALA 143 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ki8 h ALA 143 Cb 0.42 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2ki8 h ALA 143 CO 0.03 -0.65 -0.14 -0.84 0.00 0.00 0.00 179.25 177.65 2ki8 h ILE 144 N -0.37 0.00 0.00 0.00 -0.00 -1.14 -3.49 117.51 112.51 2ki8 h ILE 144 Ca -0.03 -0.81 0.00 0.00 -0.00 0.00 0.00 64.86 64.02 2ki8 h ILE 144 Cb 0.28 1.74 0.00 0.00 -0.00 0.00 0.00 36.82 38.84 2ki8 h ILE 144 CO 0.05 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.81 2ki8 n GLY 145 N 1.19 2.34 0.00 0.16 0.00 0.96 -5.10 105.19 104.74 2ki8 n GLY 145 Ca 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.29 2ki8 n GLY 145 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76