#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ki8 s GLY 2 N 0.00 -0.22 0.23 3.17 0.00 -1.26 -5.19 107.32 104.06 2ki8 s GLY 2 Ca 0.00 2.66 -0.19 0.00 0.00 0.00 0.00 44.72 47.19 2ki8 s GLY 2 CO 0.00 2.03 0.61 -0.56 0.00 0.00 0.00 173.10 175.18 2ki8 s SER 3 N 0.60 -0.28 0.11 1.64 0.01 -1.26 -5.19 113.70 109.33 2ki8 s SER 3 Ca -0.01 -0.52 -0.25 0.00 1.31 0.00 0.00 55.95 56.48 2ki8 s SER 3 Cb -0.05 0.65 0.08 0.00 0.21 0.00 0.00 66.02 66.91 2ki8 s SER 3 CO -0.08 -1.18 0.75 -0.94 0.41 0.00 0.00 173.24 172.19 2ki8 s SER 4 N -2.89 -0.43 -0.03 2.44 1.04 -1.26 -5.17 113.70 107.40 2ki8 s SER 4 Ca 0.10 -0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.49 2ki8 s SER 4 Cb -0.03 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 2ki8 s SER 4 CO 0.02 -0.88 -0.19 -1.00 0.98 0.00 0.00 173.24 172.17 2ki8 s HIS 5 N -3.50 1.79 -0.06 5.02 4.02 -1.26 -5.15 115.29 116.16 2ki8 s HIS 5 Ca 0.04 -0.41 0.03 0.00 1.02 0.00 0.00 55.06 55.75 2ki8 s HIS 5 Cb -0.02 -1.17 0.01 0.00 -1.02 0.00 0.00 32.58 30.38 2ki8 s HIS 5 CO -0.08 -0.08 -0.14 -1.58 1.02 0.00 0.00 174.74 173.88 2ki8 s HIS 6 N -0.29 1.51 -0.30 1.40 5.65 -1.26 -5.11 115.29 116.90 2ki8 s HIS 6 Ca 0.03 -0.51 -0.15 0.00 0.25 0.00 0.00 55.06 54.68 2ki8 s HIS 6 Cb -0.09 -1.07 0.16 0.00 -1.18 0.00 0.00 32.58 30.40 2ki8 s HIS 6 CO 0.00 -0.23 1.01 -3.38 -0.65 0.00 0.00 174.74 171.50 2ki8 s HIS 7 N 0.42 -0.61 -0.21 3.88 0.00 -1.26 -5.09 115.29 112.43 2ki8 s HIS 7 Ca -0.10 1.08 -0.16 0.00 -3.00 0.00 0.00 55.06 52.88 2ki8 s HIS 7 Cb -0.14 0.36 -0.10 0.00 -4.00 0.00 0.00 32.58 28.71 2ki8 s HIS 7 CO 0.03 -0.30 -0.23 1.58 -1.00 0.00 0.00 174.74 174.82 2ki8 n HIS 8 N 4.68 0.34 -3.14 0.38 -0.00 -1.26 -5.07 115.22 111.14 2ki8 n HIS 8 Ca -0.11 0.15 -0.04 0.00 -0.00 0.00 0.00 57.72 57.72 2ki8 n HIS 8 Cb 0.54 -0.81 0.00 0.00 -0.00 0.00 0.00 29.99 29.72 2ki8 n HIS 8 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ki8 n HIS 9 N -4.41 -0.92 -3.97 1.57 -0.00 -1.26 -5.04 115.22 101.19 2ki8 n HIS 9 Ca -0.29 0.40 -0.10 0.00 -0.00 0.00 0.00 57.72 57.73 2ki8 n HIS 9 Cb 0.62 -1.58 -0.04 0.00 -0.00 0.00 0.00 29.99 28.99 2ki8 n HIS 9 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ki8 s HIS 10 N -1.17 0.38 0.16 1.57 4.02 -1.26 -5.19 115.29 113.80 2ki8 s HIS 10 Ca 0.04 -0.77 -0.02 0.00 1.02 0.00 0.00 55.06 55.33 2ki8 s HIS 10 Cb -0.00 0.29 0.01 0.00 -1.02 0.00 0.00 32.58 31.85 2ki8 s HIS 10 CO 0.21 -1.12 0.25 -1.13 1.02 0.00 0.00 174.74 173.97 2ki8 n SER 11 N -0.70 -0.70 -4.00 1.40 3.41 -1.26 -5.20 113.62 106.57 2ki8 n SER 11 Ca -0.02 -1.84 -0.10 0.00 -0.26 0.00 0.00 58.87 56.65 2ki8 n SER 11 Cb 0.61 1.26 -0.07 0.00 -0.26 0.00 0.00 64.21 65.76 2ki8 n SER 11 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ki8 s SER 12 N -1.98 0.07 0.12 4.04 0.15 -1.26 -5.18 113.70 109.65 2ki8 s SER 12 Ca 0.12 -1.12 0.10 0.00 0.70 0.00 0.00 55.95 55.75 2ki8 s SER 12 Cb -0.01 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.79 2ki8 s SER 12 CO 0.09 -1.06 -0.25 -0.83 1.20 0.00 0.00 173.24 172.39 2ki8 s GLY 13 N -3.08 1.58 0.00 9.45 0.00 -1.26 -5.11 107.32 108.90 2ki8 s GLY 13 Ca 0.28 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.58 2ki8 s GLY 13 CO 0.11 -1.39 0.00 0.54 0.00 0.00 0.00 173.10 172.36 2ki8 n ARG 14 N 0.99 0.00 -1.88 2.90 1.74 -1.26 -5.12 116.66 114.03 2ki8 n ARG 14 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 2ki8 n ARG 14 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 2ki8 n ARG 14 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2ki8 n GLU 15 N -0.03 -4.19 -3.62 5.56 2.13 -1.26 -5.07 120.64 114.17 2ki8 n GLU 15 Ca 0.00 3.12 -0.23 0.00 0.66 0.00 0.00 57.16 60.70 2ki8 n GLU 15 Cb 0.00 -3.54 -0.17 0.00 0.27 0.00 0.00 31.44 28.00 2ki8 n GLU 15 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2ki8 s ASN 16 N -0.43 1.87 0.36 4.31 2.47 -1.26 -5.16 114.94 117.10 2ki8 s ASN 16 Ca 0.00 -0.35 0.07 0.00 0.42 0.00 0.00 52.86 53.00 2ki8 s ASN 16 Cb 0.00 -0.12 -0.02 0.00 -1.45 0.00 0.00 41.25 39.66 2ki8 s ASN 16 CO 0.00 -0.32 0.35 -0.76 -3.72 0.00 0.00 177.10 172.65 2ki8 s LEU 17 N 2.17 3.59 0.24 3.21 1.02 -1.26 -5.15 118.68 122.51 2ki8 s LEU 17 Ca 0.03 -0.52 0.02 0.00 0.02 0.00 0.00 54.13 53.69 2ki8 s LEU 17 Cb -0.15 -2.27 -0.05 0.00 0.02 0.00 0.00 46.19 43.74 2ki8 s LEU 17 CO -0.08 -0.46 0.04 -0.31 0.02 0.00 0.00 176.35 175.56 2ki8 s TYR 18 N -2.33 1.53 0.50 0.29 2.02 -1.26 -5.18 117.35 112.91 2ki8 s TYR 18 Ca 0.44 -1.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.12 2ki8 s TYR 18 Cb -0.06 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.59 2ki8 s TYR 18 CO 0.28 -0.17 0.05 -0.06 -1.57 0.00 0.00 175.55 174.08 2ki8 s PHE 19 N -3.57 1.76 0.01 2.71 0.08 -1.26 -5.17 117.98 112.54 2ki8 s PHE 19 Ca 0.32 -1.12 0.02 0.00 0.12 0.00 0.00 56.93 56.27 2ki8 s PHE 19 Cb 0.07 -1.44 -0.01 0.00 -0.57 0.00 0.00 43.02 41.07 2ki8 s PHE 19 CO 0.10 0.01 -0.07 -1.14 -0.10 0.00 0.00 175.22 174.02 2ki8 s GLN 20 N -3.82 0.50 0.00 0.44 2.00 -1.26 -5.12 119.66 112.40 2ki8 s GLN 20 Ca 0.07 -0.39 0.00 0.00 -2.00 0.00 0.00 55.36 53.04 2ki8 s GLN 20 Cb 0.00 -0.42 0.00 0.00 0.80 0.00 0.00 33.01 33.39 2ki8 s GLN 20 CO 0.05 0.11 0.00 0.41 -0.50 0.00 0.00 175.29 175.36 2ki8 n GLY 21 N 2.46 0.39 3.30 2.59 0.00 -1.26 -4.71 105.19 107.96 2ki8 n GLY 21 Ca -0.16 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 2ki8 n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ki8 n HIS 22 N 0.15 4.29 -3.22 1.61 -0.00 -1.26 -4.96 115.22 111.82 2ki8 n HIS 22 Ca 0.00 -2.88 -0.33 0.00 0.46 0.00 0.00 57.72 54.97 2ki8 n HIS 22 Cb 0.00 -2.61 -0.06 0.00 -0.12 0.00 0.00 29.99 27.20 2ki8 n HIS 22 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2ki8 s MET 23 N 3.90 3.99 -0.21 1.57 0.23 -1.26 -4.83 119.30 122.68 2ki8 s MET 23 Ca 0.52 0.58 -0.06 0.00 -1.03 0.00 0.00 55.69 55.70 2ki8 s MET 23 Cb 0.07 -2.60 -0.03 0.00 -1.53 0.00 0.00 34.83 30.74 2ki8 s MET 23 CO 0.02 0.26 0.04 -0.51 -2.03 0.00 0.00 175.02 172.81 2ki8 s LEU 24 N -2.69 3.45 -0.57 0.18 1.43 -1.03 -4.96 118.68 114.49 2ki8 s LEU 24 Ca 0.49 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 53.18 2ki8 s LEU 24 Cb -0.12 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 2ki8 s LEU 24 CO 0.19 0.06 1.69 -0.70 0.23 0.00 0.00 176.35 177.82 2ki8 s GLU 25 N 1.04 2.93 0.36 1.70 2.12 -1.26 -1.87 118.70 123.72 2ki8 s GLU 25 Ca 0.03 0.60 0.09 0.00 0.36 0.00 0.00 54.97 56.05 2ki8 s GLU 25 Cb -0.14 -4.28 -0.07 0.00 0.26 0.00 0.00 34.13 29.90 2ki8 s GLU 25 CO 0.02 -2.37 -0.05 0.14 -0.54 0.00 0.00 175.26 172.46 2ki8 s VAL 26 N 7.75 2.24 -0.33 3.70 -7.23 0.39 -4.74 120.40 122.18 2ki8 s VAL 26 Ca 0.62 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 58.54 2ki8 s VAL 26 Cb -0.13 -2.75 -0.02 0.00 0.56 0.00 0.00 36.38 34.04 2ki8 s VAL 26 CO 0.23 -0.15 0.24 -0.70 -0.31 0.00 0.00 175.10 174.41 2ki8 s GLU 27 N -3.65 3.56 -0.43 4.82 2.12 -0.62 -0.50 118.70 124.00 2ki8 s GLU 27 Ca 0.33 -0.59 -0.21 0.00 0.36 0.00 0.00 54.97 54.86 2ki8 s GLU 27 Cb 0.04 -3.79 0.02 0.00 0.26 0.00 0.00 34.13 30.66 2ki8 s GLU 27 CO 0.17 -0.41 0.69 0.08 -0.54 0.00 0.00 175.26 175.25 2ki8 s VAL 28 N 1.74 4.78 0.12 3.70 1.01 0.15 -0.75 120.40 131.15 2ki8 s VAL 28 Ca 0.07 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.38 2ki8 s VAL 28 Cb -0.17 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 2ki8 s VAL 28 CO 0.11 -0.58 0.26 -0.63 0.00 0.00 0.00 175.10 174.25 2ki8 s ILE 29 N 2.96 5.33 -0.31 2.22 1.01 -0.21 0.32 121.20 132.53 2ki8 s ILE 29 Ca 0.25 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.35 2ki8 s ILE 29 Cb -0.13 -3.70 0.09 0.00 0.01 0.00 0.00 42.46 38.72 2ki8 s ILE 29 CO 0.19 -0.01 -0.01 -0.55 0.00 0.00 0.00 174.94 174.56 2ki8 s SER 30 N -2.98 4.65 -0.20 3.58 0.15 -1.25 -0.62 113.70 117.03 2ki8 s SER 30 Ca 0.35 -1.88 -0.12 0.00 0.70 0.00 0.00 55.95 55.00 2ki8 s SER 30 Cb -0.12 -1.60 -0.05 0.00 -1.71 0.00 0.00 66.02 62.55 2ki8 s SER 30 CO 0.28 -0.31 0.20 -0.83 1.20 0.00 0.00 173.24 173.78 2ki8 s GLY 31 N 0.98 2.08 -0.87 9.45 0.00 -0.54 -4.70 107.32 113.71 2ki8 s GLY 31 Ca 0.04 -0.65 -0.25 0.00 0.00 0.00 0.00 44.72 43.86 2ki8 s GLY 31 CO -0.07 0.31 1.80 0.50 0.00 0.00 0.00 173.10 175.64 2ki8 s ARG 32 N 0.58 2.81 -0.23 2.90 0.52 -1.26 -0.12 118.95 124.15 2ki8 s ARG 32 Ca 0.11 -0.31 -0.19 0.00 -0.52 0.00 0.00 55.73 54.81 2ki8 s ARG 32 Cb -0.12 -4.97 -0.17 0.00 0.52 0.00 0.00 34.95 30.20 2ki8 s ARG 32 CO 0.01 -2.98 0.07 0.25 0.02 0.00 0.00 175.30 172.67 2ki8 n THR 33 N 7.50 1.54 -1.56 0.02 -2.24 -1.26 -4.82 114.28 113.45 2ki8 n THR 33 Ca 0.34 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.66 2ki8 n THR 33 Cb 0.49 -1.99 -0.04 0.00 -2.10 0.00 0.00 70.33 66.69 2ki8 n THR 33 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2ki8 s LEU 34 N -7.76 3.32 0.10 3.22 2.01 -1.26 -4.79 118.68 113.51 2ki8 s LEU 34 Ca -0.31 0.91 0.10 0.00 0.01 0.00 0.00 54.13 54.84 2ki8 s LEU 34 Cb 0.08 -2.51 0.47 0.00 0.01 0.00 0.00 46.19 44.24 2ki8 s LEU 34 CO 0.57 -3.05 1.30 -3.20 1.01 0.00 0.00 176.35 172.97 2ki8 n ASN 35 N 16.41 0.19 -0.20 2.29 5.15 -1.26 -2.45 115.26 135.38 2ki8 n ASN 35 Ca 0.38 0.57 0.23 0.00 -0.60 0.00 0.00 54.58 55.17 2ki8 n ASN 35 Cb 0.53 -0.60 0.61 0.00 -0.53 0.00 0.00 39.78 39.78 2ki8 n ASN 35 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2ki8 h GLN 36 N 0.00 0.21 -5.39 1.20 1.08 -2.00 -3.47 115.11 106.74 2ki8 h GLN 36 Ca 0.00 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2ki8 h GLN 36 Cb 0.08 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2ki8 h GLN 36 CO 0.00 0.14 -0.07 0.41 -0.95 0.00 0.00 178.83 178.36 2ki8 n GLY 37 N -1.60 -1.24 3.73 3.46 0.00 -1.03 -5.05 105.19 103.47 2ki8 n GLY 37 Ca 0.18 0.48 -0.04 0.00 0.00 0.00 0.00 46.02 46.64 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 -3.03 -1.67 1.03 4.61 0.00 -1.26 -5.17 121.76 116.27 2ki8 s ALA 38 Ca 0.03 0.22 -0.06 0.00 0.00 0.00 0.00 51.96 52.15 2ki8 s ALA 38 Cb -0.00 0.62 0.09 0.00 0.00 0.00 0.00 23.12 23.82 2ki8 s ALA 38 CO 0.75 -1.00 0.42 0.25 0.00 0.00 0.00 175.76 176.18 2ki8 n THR 39 N -0.45 0.00 0.15 0.00 -2.24 -1.26 -4.97 114.28 105.51 2ki8 n THR 39 Ca -0.06 -0.27 -0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2ki8 n THR 39 Cb 0.61 -1.54 0.20 0.00 -2.10 0.00 0.00 70.33 67.50 2ki8 n THR 39 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2ki8 h VAL 40 N -1.52 1.38 -0.63 2.28 3.04 -1.98 -3.31 116.25 115.52 2ki8 h VAL 40 Ca -0.14 -2.00 -0.05 0.00 -1.01 0.00 0.00 66.70 63.49 2ki8 h VAL 40 Cb 0.41 2.09 -0.03 0.00 -2.01 0.00 0.00 31.29 31.75 2ki8 h VAL 40 CO 0.10 0.56 0.17 -0.33 -1.01 0.00 0.00 177.57 177.06 2ki8 h GLU 41 N 0.00 0.97 -0.14 4.17 5.08 -2.01 -2.36 114.58 120.28 2ki8 h GLU 41 Ca -0.01 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 2ki8 h GLU 41 Cb 1.04 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2ki8 h GLU 41 CO 0.07 0.85 -0.20 0.93 -1.00 0.00 0.00 179.01 179.66 2ki8 h GLU 42 N 0.93 0.24 -1.59 2.33 3.07 -1.94 -3.30 114.58 114.31 2ki8 h GLU 42 Ca 0.20 -0.07 -0.57 0.00 -0.50 0.00 0.00 59.36 58.43 2ki8 h GLU 42 Cb 0.30 -0.03 -0.42 0.00 -0.84 0.00 0.00 28.75 27.77 2ki8 h GLU 42 CO -0.00 0.44 -0.77 1.63 -1.40 0.00 0.00 179.01 178.90 2ki8 n LYS 43 N -4.21 3.14 -2.11 2.33 4.01 -0.91 -5.00 118.16 115.40 2ki8 n LYS 43 Ca -0.01 -4.42 -0.29 0.00 -0.51 0.00 0.00 58.31 53.08 2ki8 n LYS 43 Cb 0.32 -2.14 -0.05 0.00 -0.51 0.00 0.00 35.03 32.65 2ki8 n LYS 43 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ki8 s LEU 44 N -3.47 3.18 0.32 -0.35 1.43 -1.07 -4.47 118.68 114.25 2ki8 s LEU 44 Ca 0.46 -1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 2ki8 s LEU 44 Cb 0.39 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 44.06 2ki8 s LEU 44 CO -0.16 -2.70 0.67 0.28 0.23 0.00 0.00 176.35 174.68 2ki8 s THR 45 N 9.77 0.00 0.42 5.49 -1.32 -1.26 -5.05 115.64 123.70 2ki8 s THR 45 Ca 0.67 -1.14 0.14 0.00 -1.21 0.00 0.00 61.69 60.15 2ki8 s THR 45 Cb -0.04 -2.41 0.16 0.00 -1.51 0.00 0.00 72.50 68.70 2ki8 s THR 45 CO 0.03 0.00 1.94 -0.08 -2.21 0.00 0.00 174.62 174.31 2ki8 h GLU 46 N 2.06 0.00 -0.08 7.08 4.81 -2.00 -1.36 114.58 125.08 2ki8 h GLU 46 Ca -0.26 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2ki8 h GLU 46 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2ki8 h GLU 46 CO 0.33 0.24 0.09 0.93 -0.73 0.00 0.00 179.01 179.86 2ki8 h GLU 47 N 0.00 0.00 0.02 1.92 3.07 -1.96 0.39 114.58 118.02 2ki8 h GLU 47 Ca -0.00 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.60 2ki8 h GLU 47 Cb 0.42 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2ki8 h GLU 47 CO 0.03 0.00 -1.04 -0.92 -1.40 0.00 0.00 179.01 175.68 2ki8 h TYR 48 N 0.00 0.86 0.58 4.33 5.03 -1.47 -3.14 116.97 123.16 2ki8 h TYR 48 Ca 0.04 -0.48 -0.03 0.00 2.58 0.00 0.00 58.73 60.84 2ki8 h TYR 48 Cb 0.21 -0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.40 2ki8 h TYR 48 CO 0.00 1.32 -0.35 0.35 -1.32 0.00 0.00 178.16 178.15 2ki8 h PHE 49 N 0.31 -0.94 0.00 -3.82 3.04 -0.87 -2.08 116.94 112.57 2ki8 h PHE 49 Ca -0.12 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.82 2ki8 h PHE 49 Cb 1.70 0.33 0.00 0.00 2.56 0.00 0.00 35.95 40.54 2ki8 h PHE 49 CO 0.09 -0.53 0.00 0.27 -2.02 0.00 0.00 178.31 176.12 2ki8 n ASN 50 N -4.60 0.00 -0.08 0.41 0.23 -0.68 -1.25 115.26 109.29 2ki8 n ASN 50 Ca -0.11 -0.58 -0.14 0.00 -0.53 0.00 0.00 54.58 53.22 2ki8 n ASN 50 Cb 0.36 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.92 2ki8 n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ki8 n ALA 51 N -0.96 1.38 -0.25 -2.53 0.00 -0.97 -4.70 120.51 112.47 2ki8 n ALA 51 Ca 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2ki8 n ALA 51 Cb 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -3.08 0.17 -0.43 0.00 0.24 -0.82 -4.80 118.33 109.60 2ki8 n VAL 52 Ca -0.33 -0.46 -0.14 0.00 -2.04 0.00 0.00 64.34 61.37 2ki8 n VAL 52 Cb 1.07 1.11 0.07 0.00 -1.47 0.00 0.00 33.84 34.62 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 -0.09 4.69 -3.75 -1.34 5.03 -0.38 -4.78 115.26 114.65 2ki8 n ASN 53 Ca 0.00 -2.91 -0.10 0.00 0.87 0.00 0.00 54.58 52.44 2ki8 n ASN 53 Cb 0.12 -0.83 -0.06 0.00 -1.02 0.00 0.00 39.78 37.99 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 -1.72 -0.04 -0.05 3.10 1.13 -1.26 -0.60 117.35 117.92 2ki8 s TYR 54 Ca 0.29 -0.31 0.02 0.00 -1.41 0.00 0.00 57.07 55.67 2ki8 s TYR 54 Cb 0.24 0.10 0.01 0.00 -1.10 0.00 0.00 41.96 41.21 2ki8 s TYR 54 CO 0.03 -0.61 -0.11 0.00 -2.51 0.00 0.00 175.55 172.36 2ki8 s ALA 55 N -3.66 1.09 -0.35 9.51 0.00 -0.21 -4.35 121.76 123.78 2ki8 s ALA 55 Ca 0.03 -0.37 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 2ki8 s ALA 55 Cb 0.03 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.69 2ki8 s ALA 55 CO -0.10 0.13 0.76 -1.21 0.00 0.00 0.00 175.76 175.33 2ki8 s GLU 56 N 0.48 3.78 0.08 0.00 2.02 0.57 -1.27 118.70 124.35 2ki8 s GLU 56 Ca -0.09 0.32 0.06 0.00 0.02 0.00 0.00 54.97 55.27 2ki8 s GLU 56 Cb -0.13 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 2ki8 s GLU 56 CO 0.02 -0.80 -0.07 0.42 0.02 0.00 0.00 175.26 174.85 2ki8 s ILE 57 N 3.01 3.58 0.33 -1.63 1.01 0.97 -1.46 121.20 127.00 2ki8 s ILE 57 Ca 0.30 -1.08 -0.28 0.00 0.00 0.00 0.00 60.65 59.59 2ki8 s ILE 57 Cb -0.14 -2.65 -0.10 0.00 0.01 0.00 0.00 42.46 39.59 2ki8 s ILE 57 CO 0.16 0.19 1.21 0.21 0.00 0.00 0.00 174.94 176.70 2ki8 s ASN 58 N -2.03 6.90 0.34 3.58 3.84 -1.26 -0.35 114.94 125.97 2ki8 s ASN 58 Ca 0.21 2.47 0.07 0.00 0.21 0.00 0.00 52.86 55.82 2ki8 s ASN 58 Cb -0.11 -2.63 0.74 0.00 -0.55 0.00 0.00 41.25 38.69 2ki8 s ASN 58 CO 0.13 -0.42 1.87 -0.08 -2.79 0.00 0.00 177.10 175.81 2ki8 h GLU 59 N 3.39 0.76 0.14 0.43 4.81 -1.86 0.15 114.58 122.39 2ki8 h GLU 59 Ca -0.48 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.72 2ki8 h GLU 59 Cb 1.22 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2ki8 h GLU 59 CO 0.65 0.50 -0.21 0.93 -0.73 0.00 0.00 179.01 180.16 2ki8 h GLU 60 N 0.78 -0.39 -0.65 1.92 4.39 -1.97 0.98 114.58 119.64 2ki8 h GLU 60 Ca 0.44 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 60.12 2ki8 h GLU 60 Cb 0.60 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 2ki8 h GLU 60 CO -0.20 -0.26 0.22 -0.44 -1.16 0.00 0.00 179.01 177.16 2ki8 h ASP 61 N -0.41 0.90 -0.62 1.42 3.32 -1.77 -1.66 116.42 117.61 2ki8 h ASP 61 Ca 0.02 -0.14 0.10 0.00 0.02 0.00 0.00 57.03 57.02 2ki8 h ASP 61 Cb 0.42 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.66 2ki8 h ASP 61 CO -0.10 0.83 0.23 -0.25 -1.72 0.00 0.00 179.24 178.23 2ki8 h TRP 62 N 0.95 0.40 -0.31 4.55 2.91 -0.22 -0.13 115.95 124.09 2ki8 h TRP 62 Ca 0.22 0.03 -0.13 0.00 1.13 0.00 0.00 58.89 60.14 2ki8 h TRP 62 Cb 0.24 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 28.80 2ki8 h TRP 62 CO 0.02 0.10 -0.32 -0.91 -1.03 0.00 0.00 178.44 176.30 2ki8 h ASN 63 N 0.41 0.81 -0.66 2.65 2.35 -0.51 -2.02 115.58 118.62 2ki8 h ASN 63 Ca 0.31 -0.47 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 2ki8 h ASN 63 Cb 0.39 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 2ki8 h ASN 63 CO -0.31 1.12 0.36 0.00 -1.65 0.00 0.00 177.43 176.95 2ki8 h ALA 64 N 0.72 1.37 -0.00 -0.83 0.00 -0.68 -1.70 119.26 118.14 2ki8 h ALA 64 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ki8 h ALA 64 Cb 0.90 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2ki8 h ALA 64 CO 0.08 0.51 -0.21 1.28 0.00 0.00 0.00 179.25 180.91 2ki8 n LEU 65 N -4.37 0.62 -3.50 0.00 4.77 -0.12 -4.96 117.00 109.43 2ki8 n LEU 65 Ca 0.07 -0.04 -0.18 0.00 -0.03 0.00 0.00 56.01 55.82 2ki8 n LEU 65 Cb 0.10 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.06 2ki8 n LEU 65 CO 0.38 0.12 0.05 0.61 -1.33 0.00 0.00 177.39 177.22 2ki8 n GLY 66 N 1.35 -0.39 3.93 -0.72 0.00 -0.64 -4.71 105.19 104.02 2ki8 n GLY 66 Ca 0.12 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 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 -6.40 3.80 0.02 0.99 1.43 -0.79 -5.06 118.68 112.67 2ki8 s LEU 67 Ca 0.03 0.67 0.07 0.00 -1.03 0.00 0.00 54.13 53.86 2ki8 s LEU 67 Cb -0.01 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 2ki8 s LEU 67 CO 0.76 -0.46 -0.20 -1.10 0.23 0.00 0.00 176.35 175.58 2ki8 s GLN 68 N -4.54 1.41 -0.68 1.70 1.11 -1.26 -4.93 119.66 112.47 2ki8 s GLN 68 Ca 0.44 -0.84 -0.26 0.00 0.01 0.00 0.00 55.36 54.72 2ki8 s GLN 68 Cb -0.10 -1.45 -0.08 0.00 -1.01 0.00 0.00 33.01 30.36 2ki8 s GLN 68 CO 0.40 0.38 2.25 -1.21 0.01 0.00 0.00 175.29 177.13 2ki8 s GLU 69 N -0.92 2.07 0.00 2.91 2.02 -1.26 -1.13 118.70 122.38 2ki8 s GLU 69 Ca 0.07 0.69 0.00 0.00 0.02 0.00 0.00 54.97 55.75 2ki8 s GLU 69 Cb -0.08 -4.70 0.00 0.00 0.10 0.00 0.00 34.13 29.45 2ki8 s GLU 69 CO 0.01 -3.64 0.00 0.41 0.02 0.00 0.00 175.26 172.06 2ki8 n GLY 70 N 6.38 0.89 2.93 -1.39 0.00 -1.21 -5.06 105.19 107.74 2ki8 n GLY 70 Ca 0.38 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.03 -4.50 1.61 5.75 -0.29 -4.74 116.55 114.35 2ki8 n ASP 71 Ca 0.00 -1.35 -0.36 0.00 -0.01 0.00 0.00 54.79 53.08 2ki8 n ASP 71 Cb 0.00 -0.78 -0.12 0.00 -1.03 0.00 0.00 41.12 39.19 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 -5.20 3.74 0.09 0.11 3.00 -1.26 -1.32 118.95 118.10 2ki8 s ARG 72 Ca 0.57 -0.45 0.07 0.00 0.00 0.00 0.00 55.73 55.93 2ki8 s ARG 72 Cb -0.02 -3.26 -0.04 0.00 0.00 0.00 0.00 34.95 31.64 2ki8 s ARG 72 CO 0.40 -0.03 -0.13 0.14 0.00 0.00 0.00 175.30 175.68 2ki8 s VAL 73 N 1.18 3.15 -0.09 3.52 -7.23 -0.07 -2.21 120.40 118.64 2ki8 s VAL 73 Ca 0.04 -1.28 0.04 0.00 -1.81 0.00 0.00 61.98 58.97 2ki8 s VAL 73 Cb -0.14 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.36 2ki8 s VAL 73 CO 0.03 0.17 -0.23 -0.75 -0.31 0.00 0.00 175.10 174.01 2ki8 s LYS 74 N -2.00 2.92 -0.12 4.82 2.20 0.01 -1.07 119.74 126.50 2ki8 s LYS 74 Ca 0.19 -0.85 -0.02 0.00 -0.36 0.00 0.00 55.97 54.93 2ki8 s LYS 74 Cb -0.11 -2.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.95 2ki8 s LYS 74 CO 0.11 0.18 -0.04 0.08 -0.36 0.00 0.00 175.35 175.32 2ki8 s VAL 75 N 0.33 3.94 -0.01 4.02 1.01 -0.27 -2.44 120.40 126.98 2ki8 s VAL 75 Ca -0.18 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.50 2ki8 s VAL 75 Cb -0.18 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 2ki8 s VAL 75 CO 0.08 0.55 -0.18 -0.54 0.00 0.00 0.00 175.10 175.01 2ki8 s LYS 76 N -0.23 1.46 0.08 2.72 3.01 -0.00 -1.72 119.74 125.06 2ki8 s LYS 76 Ca 0.04 -0.68 0.02 0.00 -1.01 0.00 0.00 55.97 54.34 2ki8 s LYS 76 Cb -0.13 -1.43 -0.01 0.00 -1.01 0.00 0.00 37.83 35.26 2ki8 s LYS 76 CO 0.02 0.39 0.06 0.25 0.51 0.00 0.00 175.35 176.58 2ki8 n THR 77 N 2.55 0.00 1.76 2.17 -2.24 0.05 -0.90 114.28 117.67 2ki8 n THR 77 Ca -0.15 -0.56 0.11 0.00 -2.27 0.00 0.00 64.05 61.18 2ki8 n THR 77 Cb 0.54 0.26 0.65 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.16 0.88 -0.11 -0.78 0.28 -1.26 -3.18 120.64 116.31 2ki8 n GLU 78 Ca 0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.88 2ki8 n GLU 78 Cb 0.14 -1.39 -0.13 0.00 1.43 0.00 0.00 31.44 31.49 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 -0.89 0.00 -2.22 -1.84 3.01 -1.26 -5.12 117.46 109.14 2ki8 n PHE 79 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.62 2ki8 n PHE 79 Cb 0.07 -0.94 0.00 0.00 -0.01 0.00 0.00 39.48 38.60 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 2.09 -0.52 3.11 1.37 0.00 -1.10 -4.86 105.19 105.29 2ki8 n GLY 80 Ca -0.38 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.65 0.66 -0.04 1.61 -1.05 -1.22 -0.77 118.70 116.23 2ki8 s GLU 81 Ca 0.00 -1.19 -0.30 0.00 -0.15 0.00 0.00 54.97 53.32 2ki8 s GLU 81 Cb 0.00 0.23 0.07 0.00 -0.44 0.00 0.00 34.13 33.99 2ki8 s GLU 81 CO 0.00 -0.14 0.70 0.54 0.95 0.00 0.00 175.26 177.31 2ki8 s VAL 82 N -3.92 0.00 -0.20 1.83 0.11 -0.70 -4.81 120.40 112.71 2ki8 s VAL 82 Ca 0.07 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.08 2ki8 s VAL 82 Cb 0.08 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2ki8 s VAL 82 CO -0.10 0.00 -0.02 -0.69 -3.33 0.00 0.00 175.10 170.96 2ki8 s VAL 83 N -1.34 3.72 0.30 2.04 1.01 -1.26 -1.12 120.40 123.75 2ki8 s VAL 83 Ca -0.10 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2ki8 s VAL 83 Cb -0.00 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2ki8 s VAL 83 CO 0.08 0.43 0.11 0.68 0.00 0.00 0.00 175.10 176.40 2ki8 s VAL 84 N 1.12 0.59 0.35 2.92 -7.23 -0.23 -2.38 120.40 115.53 2ki8 s VAL 84 Ca 0.02 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.93 2ki8 s VAL 84 Cb -0.14 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.11 2ki8 s VAL 84 CO 0.01 0.00 1.04 -0.36 -0.31 0.00 0.00 175.10 175.48 2ki8 s PHE 85 N -3.58 3.46 -0.08 2.82 0.08 0.23 -0.89 117.98 120.02 2ki8 s PHE 85 Ca 0.35 1.70 -0.25 0.00 0.12 0.00 0.00 56.93 58.85 2ki8 s PHE 85 Cb 0.07 -3.13 -0.03 0.00 -0.57 0.00 0.00 43.02 39.35 2ki8 s PHE 85 CO 0.15 -0.42 0.79 0.00 -0.10 0.00 0.00 175.22 175.64 2ki8 s ALA 86 N -1.48 3.34 0.15 5.36 0.00 -0.44 -1.05 121.76 127.65 2ki8 s ALA 86 Ca 0.52 0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.73 2ki8 s ALA 86 Cb -0.25 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2ki8 s ALA 86 CO 0.31 -0.27 -0.12 0.15 0.00 0.00 0.00 175.76 175.83 2ki8 s LYS 87 N 1.19 1.10 -0.49 0.00 1.02 -0.40 -3.28 119.74 118.88 2ki8 s LYS 87 Ca 0.41 -1.41 -0.14 0.00 0.02 0.00 0.00 55.97 54.85 2ki8 s LYS 87 Cb -0.18 -0.81 0.10 0.00 -0.52 0.00 0.00 37.83 36.43 2ki8 s LYS 87 CO 0.19 0.13 0.42 0.21 -0.92 0.00 0.00 175.35 175.37 2ki8 s LYS 88 N -3.38 2.89 0.00 1.68 2.20 -1.26 -0.02 119.74 121.85 2ki8 s LYS 88 Ca 0.15 -1.55 0.00 0.00 -0.36 0.00 0.00 55.97 54.21 2ki8 s LYS 88 Cb -0.00 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 32.17 2ki8 s LYS 88 CO 0.03 -1.16 0.00 0.41 -0.36 0.00 0.00 175.35 174.26 2ki8 n GLY 89 N 5.16 1.87 1.19 5.54 0.00 0.53 -4.80 105.19 114.68 2ki8 n GLY 89 Ca -0.12 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.19 3.45 -4.86 1.61 8.00 -1.26 -4.71 116.55 116.60 2ki8 n ASP 90 Ca 0.00 -1.99 -0.31 0.00 0.71 0.00 0.00 54.79 53.19 2ki8 n ASP 90 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 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 -1.18 4.61 0.89 2.53 -7.23 -1.26 -5.08 120.40 113.68 2ki8 s VAL 91 Ca 0.43 0.95 -0.12 0.00 -1.81 0.00 0.00 61.98 61.42 2ki8 s VAL 91 Cb 0.23 -3.79 0.12 0.00 0.56 0.00 0.00 36.38 33.50 2ki8 s VAL 91 CO 0.30 -1.01 1.14 -2.16 -0.31 0.00 0.00 175.10 173.06 2ki8 s PRO 92 N -4.89 1.32 0.55 4.82 0.04 -1.26 -4.43 135.00 131.16 2ki8 s PRO 92 Ca 0.56 0.29 -0.20 0.00 0.04 0.00 0.00 61.00 61.69 2ki8 s PRO 92 Cb -0.11 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 2ki8 s PRO 92 CO 0.48 -2.07 1.21 0.21 0.04 0.00 0.00 177.00 176.87 2ki8 s LYS 93 N -5.31 3.19 -1.24 4.56 2.20 -1.26 -2.90 119.74 118.99 2ki8 s LYS 93 Ca 0.63 1.86 -0.00 0.00 -0.36 0.00 0.00 55.97 58.10 2ki8 s LYS 93 Cb -0.14 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.10 2ki8 s LYS 93 CO 0.53 -1.04 0.04 0.41 -0.36 0.00 0.00 175.35 174.93 2ki8 n GLY 94 N 0.49 -0.23 3.38 5.54 0.00 -1.26 -5.00 105.19 108.12 2ki8 n GLY 94 Ca 0.12 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.78 0.54 -0.01 1.61 0.00 -1.14 -1.59 119.30 113.93 2ki8 s MET 95 Ca 0.02 0.75 0.02 0.00 0.00 0.00 0.00 55.69 56.48 2ki8 s MET 95 Cb -0.01 0.20 -0.00 0.00 0.00 0.00 0.00 34.83 35.02 2ki8 s MET 95 CO 0.02 -0.09 -0.07 0.96 0.00 0.00 0.00 175.02 175.84 2ki8 s ILE 96 N 0.62 0.55 -0.25 10.11 -4.36 0.07 -4.06 121.20 123.89 2ki8 s ILE 96 Ca -0.03 -0.28 -0.10 0.00 -0.26 0.00 0.00 60.65 59.98 2ki8 s ILE 96 Cb -0.05 -0.48 -0.05 0.00 1.25 0.00 0.00 42.46 43.14 2ki8 s ILE 96 CO -0.04 0.16 0.14 0.12 0.24 0.00 0.00 174.94 175.57 2ki8 s PHE 97 N -0.05 3.24 -0.11 1.37 5.36 -0.53 -1.04 117.98 126.21 2ki8 s PHE 97 Ca 0.01 0.07 0.03 0.00 -0.96 0.00 0.00 56.93 56.09 2ki8 s PHE 97 Cb -0.04 -2.27 0.01 0.00 -0.34 0.00 0.00 43.02 40.37 2ki8 s PHE 97 CO -0.00 -0.06 -0.22 0.42 -1.46 0.00 0.00 175.22 173.90 2ki8 s ILE 98 N 1.27 1.95 0.42 3.12 1.01 0.21 -0.31 121.20 128.86 2ki8 s ILE 98 Ca 0.07 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 59.53 2ki8 s ILE 98 Cb -0.14 -1.71 -0.10 0.00 0.01 0.00 0.00 42.46 40.52 2ki8 s ILE 98 CO 0.06 0.53 1.31 -0.81 0.00 0.00 0.00 174.94 176.03 2ki8 n PRO 99 N 3.82 2.02 -1.62 2.79 -0.04 -1.26 -1.47 135.00 139.23 2ki8 n PRO 99 Ca -0.20 0.72 -0.39 0.00 -0.04 0.00 0.00 63.50 63.60 2ki8 n PRO 99 Cb 0.52 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 2ki8 n PRO 99 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2ki8 s MET 100 N -2.24 2.48 0.34 0.54 1.75 0.83 -4.49 119.30 118.52 2ki8 s MET 100 Ca 0.61 1.53 -0.11 0.00 -1.25 0.00 0.00 55.69 56.47 2ki8 s MET 100 Cb -0.50 -4.50 0.04 0.00 2.84 0.00 0.00 34.83 32.72 2ki8 s MET 100 CO 0.58 -2.85 0.63 0.41 -0.65 0.00 0.00 175.02 173.14 2ki8 n GLY 101 N 5.89 1.34 0.27 2.11 0.00 -1.26 -4.81 105.19 108.74 2ki8 n GLY 101 Ca 0.33 -1.30 0.06 0.00 0.00 0.00 0.00 46.02 45.11 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 0.18 0.30 1.61 0.13 -1.93 0.17 132.00 132.46 2ki8 h PRO 102 Ca -0.28 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 2ki8 h PRO 102 Cb 1.06 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2ki8 h PRO 102 CO 0.36 0.15 -0.15 1.88 -0.23 0.00 0.00 178.00 180.02 2ki8 h TYR 103 N 0.18 -0.38 -0.68 1.56 -1.99 -1.91 -2.37 116.97 111.39 2ki8 h TYR 103 Ca 0.05 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.80 2ki8 h TYR 103 Cb 0.04 0.12 -0.04 0.00 2.00 0.00 0.00 36.73 38.85 2ki8 h TYR 103 CO 0.00 -0.15 0.42 0.00 -0.00 0.00 0.00 178.16 178.43 2ki8 h ALA 104 N 0.12 0.89 -0.37 3.88 0.00 -1.62 -2.29 119.26 119.87 2ki8 h ALA 104 Ca -0.04 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.96 2ki8 h ALA 104 Cb 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ki8 h ALA 104 CO 0.07 0.17 0.37 -0.97 0.00 0.00 0.00 179.25 178.88 2ki8 h ASN 105 N 0.80 0.00 0.61 0.00 -1.24 -0.46 0.43 115.58 115.72 2ki8 h ASN 105 Ca 0.28 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.28 2ki8 h ASN 105 Cb 0.05 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.10 2ki8 h ASN 105 CO -0.12 0.00 -0.05 0.24 -1.29 0.00 0.00 177.43 176.21 2ki8 h MET 106 N 0.00 0.00 0.00 6.67 2.86 -0.88 -3.35 114.93 120.23 2ki8 h MET 106 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2ki8 h MET 106 Cb 0.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 2ki8 h MET 106 CO -0.00 0.05 -0.40 1.33 1.06 0.00 0.00 176.91 178.95 2ki8 n VAL 107 N -3.24 0.00 -2.29 -2.22 0.24 0.04 -2.70 118.33 108.17 2ki8 n VAL 107 Ca -0.01 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.04 2ki8 n VAL 107 Cb 0.24 -0.25 0.06 0.00 -1.47 0.00 0.00 33.84 32.43 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 -1.24 2.35 -0.32 1.34 -5.25 0.13 -4.55 121.20 113.66 2ki8 s ILE 108 Ca 0.00 -0.35 -0.12 0.00 -0.99 0.00 0.00 60.65 59.19 2ki8 s ILE 108 Cb 0.00 -3.00 -0.03 0.00 2.95 0.00 0.00 42.46 42.38 2ki8 s ILE 108 CO 0.00 0.00 0.23 -0.62 -1.79 0.00 0.00 174.94 172.76 2ki8 s ASP 109 N -4.50 6.06 0.00 4.36 2.15 -1.26 -4.79 116.67 118.68 2ki8 s ASP 109 Ca 0.60 -0.25 0.10 0.00 0.43 0.00 0.00 52.55 53.42 2ki8 s ASP 109 Cb -0.11 -2.14 0.55 0.00 -0.30 0.00 0.00 42.92 40.93 2ki8 s ASP 109 CO 0.43 -0.17 1.13 -0.81 -0.17 0.00 0.00 175.17 175.58 2ki8 n PRO 110 N 5.11 0.23 0.00 4.34 -0.04 -1.26 -3.26 135.00 140.12 2ki8 n PRO 110 Ca -0.13 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2ki8 n PRO 110 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.15 1.42 -4.74 3.54 7.64 -1.26 -4.91 113.62 114.17 2ki8 n SER 111 Ca 0.06 -1.80 -0.38 0.00 1.01 0.00 0.00 58.87 57.77 2ki8 n SER 111 Cb 0.06 -0.45 0.05 0.00 -1.01 0.00 0.00 64.21 62.86 2ki8 n SER 111 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2ki8 s THR 112 N -0.68 2.13 0.16 0.44 -4.23 -1.20 -4.88 115.64 107.37 2ki8 s THR 112 Ca 0.00 0.09 -0.32 0.00 -1.18 0.00 0.00 61.69 60.27 2ki8 s THR 112 Cb 0.00 -3.04 -0.12 0.00 1.34 0.00 0.00 72.50 70.68 2ki8 s THR 112 CO 0.00 -0.01 1.73 0.47 -0.54 0.00 0.00 174.62 176.27 2ki8 n ASP 113 N -1.42 3.76 0.25 3.99 9.92 -1.26 -4.88 116.55 126.91 2ki8 n ASP 113 Ca 0.13 1.04 0.15 0.00 -0.53 0.00 0.00 54.79 55.58 2ki8 n ASP 113 Cb 0.47 -1.52 0.45 0.00 -0.64 0.00 0.00 41.12 39.87 2ki8 n ASP 113 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2ki8 h GLY 114 N 7.19 0.00 0.00 0.44 0.00 -1.98 -3.39 103.07 105.33 2ki8 h GLY 114 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2ki8 h GLY 114 CO 0.94 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 176.18 2ki8 n THR 115 N -3.10 0.00 0.00 4.70 -2.24 -1.26 -5.14 114.28 107.24 2ki8 n THR 115 Ca 0.02 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 2ki8 n THR 115 Cb 0.41 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 2ki8 n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ki8 n GLY 116 N 2.12 4.44 3.26 3.38 0.00 -1.26 -5.17 105.19 111.96 2ki8 n GLY 116 Ca 0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 2ki8 n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ki8 s MET 117 N -2.93 1.12 0.83 1.61 -1.94 -1.26 -5.08 119.30 111.64 2ki8 s MET 117 Ca 0.00 -1.10 -0.12 0.00 -1.71 0.00 0.00 55.69 52.76 2ki8 s MET 117 Cb 0.00 -1.33 0.09 0.00 2.01 0.00 0.00 34.83 35.60 2ki8 s MET 117 CO 0.00 0.31 1.10 -2.14 -0.01 0.00 0.00 175.02 174.28 2ki8 s PRO 118 N -1.77 1.82 2.22 2.03 0.02 -1.26 -4.91 135.00 133.15 2ki8 s PRO 118 Ca 0.05 0.65 0.00 0.00 0.02 0.00 0.00 61.00 61.73 2ki8 s PRO 118 Cb -0.10 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.54 2ki8 s PRO 118 CO 0.04 -1.81 0.00 1.04 -0.33 0.00 0.00 177.00 175.94 2ki8 n GLN 119 N -3.56 0.00 -4.39 5.54 6.02 -1.26 -4.77 117.38 114.96 2ki8 n GLN 119 Ca 0.07 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.72 2ki8 n GLN 119 Cb 0.56 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.67 2ki8 n GLN 119 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2ki8 s PHE 120 N 0.00 2.82 -0.26 1.08 0.40 -1.26 -5.09 117.98 115.67 2ki8 s PHE 120 Ca 0.00 -1.03 0.01 0.00 -0.60 0.00 0.00 56.93 55.31 2ki8 s PHE 120 Cb 0.00 -1.93 0.07 0.00 0.51 0.00 0.00 43.02 41.67 2ki8 s PHE 120 CO 0.00 -0.49 -0.03 0.15 0.70 0.00 0.00 175.22 175.55 2ki8 s LYS 121 N 0.94 1.60 0.32 0.44 1.02 -1.26 -5.12 119.74 117.67 2ki8 s LYS 121 Ca -0.03 -1.17 0.05 0.00 0.02 0.00 0.00 55.97 54.85 2ki8 s LYS 121 Cb -0.15 -2.66 -0.06 0.00 -0.52 0.00 0.00 37.83 34.44 2ki8 s LYS 121 CO -0.01 -0.68 0.00 0.20 -0.92 0.00 0.00 175.35 173.94 2ki8 s GLY 122 N 1.31 2.05 -0.09 -3.33 0.00 -1.26 -4.73 107.32 101.27 2ki8 s GLY 122 Ca -0.02 -2.04 -0.29 0.00 0.00 0.00 0.00 44.72 42.36 2ki8 s GLY 122 CO -0.08 -1.88 0.97 0.14 0.00 0.00 0.00 173.10 172.25 2ki8 s VAL 123 N -3.08 4.82 0.51 1.40 1.01 0.15 -4.65 120.40 120.56 2ki8 s VAL 123 Ca 0.34 1.97 -0.23 0.00 0.00 0.00 0.00 61.98 64.06 2ki8 s VAL 123 Cb 0.07 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 2ki8 s VAL 123 CO 0.15 0.04 1.33 -0.54 0.00 0.00 0.00 175.10 176.08 2ki8 s LYS 124 N 1.82 3.34 0.00 2.72 3.01 -1.26 0.31 119.74 129.68 2ki8 s LYS 124 Ca 0.47 2.18 0.00 0.00 -1.01 0.00 0.00 55.97 57.61 2ki8 s LYS 124 Cb -0.18 -2.35 0.00 0.00 -1.01 0.00 0.00 37.83 34.28 2ki8 s LYS 124 CO 0.19 -1.01 0.00 0.41 0.51 0.00 0.00 175.35 175.45 2ki8 n GLY 125 N 0.66 1.20 3.20 -3.33 0.00 0.34 -4.62 105.19 102.64 2ki8 n GLY 125 Ca 0.09 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.29 1.46 0.02 2.61 -4.23 -0.07 -0.46 115.64 112.66 2ki8 s THR 126 Ca 0.00 -0.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.59 2ki8 s THR 126 Cb 0.00 -1.25 -0.01 0.00 1.34 0.00 0.00 72.50 72.58 2ki8 s THR 126 CO 0.00 0.27 -0.11 0.54 -0.54 0.00 0.00 174.62 174.78 2ki8 s VAL 127 N -0.63 0.87 0.23 2.29 0.11 -0.78 -0.82 120.40 121.67 2ki8 s VAL 127 Ca 0.06 -0.71 -0.23 0.00 -2.93 0.00 0.00 61.98 58.18 2ki8 s VAL 127 Cb -0.08 -0.77 0.04 0.00 -1.53 0.00 0.00 36.38 34.04 2ki8 s VAL 127 CO 0.01 0.07 0.81 -1.83 -3.33 0.00 0.00 175.10 170.82 2ki8 s GLU 128 N -0.72 1.56 0.34 1.54 1.03 -1.02 -2.46 118.70 118.96 2ki8 s GLU 128 Ca 0.01 -0.85 -0.28 0.00 0.03 0.00 0.00 54.97 53.88 2ki8 s GLU 128 Cb -0.06 0.53 -0.10 0.00 -0.80 0.00 0.00 34.13 33.71 2ki8 s GLU 128 CO 0.00 -0.71 1.21 0.21 -1.33 0.00 0.00 175.26 174.64 2ki8 s LYS 129 N -3.68 4.33 0.16 -4.83 2.20 -1.26 -0.81 119.74 115.84 2ki8 s LYS 129 Ca 0.11 2.00 0.04 0.00 -0.36 0.00 0.00 55.97 57.76 2ki8 s LYS 129 Cb -0.04 -2.98 -0.05 0.00 -1.51 0.00 0.00 37.83 33.26 2ki8 s LYS 129 CO 0.05 -0.13 -0.07 -0.08 -0.36 0.00 0.00 175.35 174.76 2ki8 s THR 130 N -1.23 1.03 -0.50 3.43 -1.32 -0.94 -4.83 115.64 111.29 2ki8 s THR 130 Ca 0.50 -2.03 0.24 0.00 -1.21 0.00 0.00 61.69 59.19 2ki8 s THR 130 Cb -0.35 -1.94 0.22 0.00 -1.51 0.00 0.00 72.50 68.92 2ki8 s THR 130 CO 0.46 -0.66 1.51 0.44 -2.21 0.00 0.00 174.62 174.15 2ki8 h ASP 131 N 2.74 0.00 -4.14 8.08 5.19 -1.97 -3.44 116.42 122.88 2ki8 h ASP 131 Ca -0.37 -0.03 -0.51 0.00 -0.62 0.00 0.00 57.03 55.51 2ki8 h ASP 131 Cb 1.19 0.00 0.09 0.00 0.18 0.00 0.00 39.33 40.79 2ki8 h ASP 131 CO 0.64 0.02 0.40 -1.61 -3.12 0.00 0.00 179.24 175.57 2ki8 s GLU 132 N -3.21 3.07 0.63 3.56 0.41 -1.26 -5.05 118.70 116.86 2ki8 s GLU 132 Ca 0.06 1.50 -0.11 0.00 -0.41 0.00 0.00 54.97 56.02 2ki8 s GLU 132 Cb 0.09 -1.98 -0.03 0.00 -1.78 0.00 0.00 34.13 30.43 2ki8 s GLU 132 CO 0.68 -1.05 1.04 -1.59 -0.49 0.00 0.00 175.26 173.85 2ki8 s LYS 133 N -3.69 3.48 0.08 1.61 0.00 -1.26 -4.81 119.74 115.15 2ki8 s LYS 133 Ca 0.70 0.75 -0.31 0.00 0.00 0.00 0.00 55.97 57.11 2ki8 s LYS 133 Cb -0.22 -2.07 -0.08 0.00 0.00 0.00 0.00 37.83 35.46 2ki8 s LYS 133 CO 0.34 -0.66 1.57 0.08 0.00 0.00 0.00 175.35 176.69 2ki8 s VAL 134 N -3.18 3.08 0.20 1.79 1.01 -1.26 -4.79 120.40 117.25 2ki8 s VAL 134 Ca 0.56 0.61 -0.33 0.00 0.00 0.00 0.00 61.98 62.82 2ki8 s VAL 134 Cb -0.11 -3.39 -0.13 0.00 0.00 0.00 0.00 36.38 32.74 2ki8 s VAL 134 CO 0.54 0.01 1.55 0.18 0.00 0.00 0.00 175.10 177.38 2ki8 n LEU 135 N 5.08 3.31 -4.76 3.92 4.77 -1.00 -4.96 117.00 123.36 2ki8 n LEU 135 Ca 0.15 1.10 -0.40 0.00 -0.03 0.00 0.00 56.01 56.83 2ki8 n LEU 135 Cb 0.41 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.00 2ki8 n LEU 135 CO 0.61 -0.25 0.84 -0.44 -1.33 0.00 0.00 177.39 176.82 2ki8 s SER 136 N 0.72 7.03 0.22 -1.43 0.01 -1.26 -4.86 113.70 114.14 2ki8 s SER 136 Ca 0.74 2.38 -0.11 0.00 1.31 0.00 0.00 55.95 60.27 2ki8 s SER 136 Cb -0.64 -2.63 0.30 0.00 0.21 0.00 0.00 66.02 63.27 2ki8 s SER 136 CO 0.42 -0.32 1.62 0.58 0.41 0.00 0.00 173.24 175.95 2ki8 h VAL 137 N 2.96 0.33 -0.20 3.43 2.07 -1.99 0.27 116.25 123.12 2ki8 h VAL 137 Ca -0.48 -0.01 -0.15 0.00 0.82 0.00 0.00 66.70 66.89 2ki8 h VAL 137 Cb 1.22 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2ki8 h VAL 137 CO 0.66 0.00 -0.45 0.50 0.02 0.00 0.00 177.57 178.30 2ki8 h LYS 138 N 0.02 0.65 -0.68 1.57 3.64 -2.00 -2.88 116.57 116.90 2ki8 h LYS 138 Ca 0.34 -0.44 0.11 0.00 -1.27 0.00 0.00 60.65 59.39 2ki8 h LYS 138 Cb 0.55 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 2ki8 h LYS 138 CO -0.69 1.06 0.45 1.49 -2.27 0.00 0.00 179.45 179.49 2ki8 h GLU 139 N 0.34 0.49 -0.48 1.90 4.81 -1.52 0.11 114.58 120.24 2ki8 h GLU 139 Ca -0.00 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2ki8 h GLU 139 Cb 1.06 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 2ki8 h GLU 139 CO 0.10 0.33 0.03 1.25 -0.73 0.00 0.00 179.01 179.98 2ki8 h LEU 140 N 0.51 0.80 -1.35 1.64 6.46 -0.47 0.71 115.31 123.61 2ki8 h LEU 140 Ca 0.32 -0.29 0.01 0.00 -0.12 0.00 0.00 57.88 57.80 2ki8 h LEU 140 Cb 0.56 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 2ki8 h LEU 140 CO -0.10 0.90 0.44 -0.07 -0.62 0.00 0.00 178.44 178.99 2ki8 h LEU 141 N 0.68 0.75 -0.12 2.25 3.38 -0.62 -1.90 115.31 119.74 2ki8 h LEU 141 Ca 0.14 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.86 2ki8 h LEU 141 Cb 0.47 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2ki8 h LEU 141 CO 0.02 0.54 -0.87 -0.33 0.09 0.00 0.00 178.44 177.89 2ki8 h GLU 142 N 0.88 0.74 -0.70 1.13 5.08 -1.00 -3.31 114.58 117.40 2ki8 h GLU 142 Ca 0.25 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2ki8 h GLU 142 Cb -0.06 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2ki8 h GLU 142 CO -0.06 1.26 0.44 0.00 -1.00 0.00 0.00 179.01 179.65 2ki8 h ALA 143 N 0.53 1.45 0.00 3.43 0.00 -0.20 -1.99 119.26 122.48 2ki8 h ALA 143 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ki8 h ALA 143 Cb 1.50 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ki8 h ALA 143 CO 0.17 0.49 0.00 0.44 0.00 0.00 0.00 179.25 180.35 2ki8 n ILE 144 N -4.41 0.07 0.00 0.00 -6.64 -0.78 -4.92 119.36 102.69 2ki8 n ILE 144 Ca 0.07 0.02 0.00 0.00 -1.77 0.00 0.00 62.75 61.07 2ki8 n ILE 144 Cb 0.05 -0.63 0.00 0.00 -1.44 0.00 0.00 39.64 37.63 2ki8 n ILE 144 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2ki8 n GLY 145 N 0.61 2.85 3.93 3.28 0.00 -0.75 -5.12 105.19 109.99 2ki8 n GLY 145 Ca 0.17 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2ki8 n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06