#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 1.93 -0.07 3.03 0.00 -1.26 -5.04 107.32 105.91 2ki8 s GLY 2 Ca 0.00 -1.74 -0.19 0.00 0.00 0.00 0.00 44.72 42.79 2ki8 s GLY 2 CO 0.00 1.16 0.45 -1.35 0.00 0.00 0.00 173.10 173.36 2ki8 s SER 3 N 2.16 -0.39 -0.12 1.64 1.04 -1.26 -5.17 113.70 111.60 2ki8 s SER 3 Ca 0.10 0.51 -0.06 0.00 0.48 0.00 0.00 55.95 56.98 2ki8 s SER 3 Cb -0.20 0.57 0.05 0.00 0.10 0.00 0.00 66.02 66.55 2ki8 s SER 3 CO 0.11 -0.39 0.27 -0.94 0.98 0.00 0.00 173.24 173.27 2ki8 s SER 4 N -0.79 -0.12 -0.02 7.02 1.04 -1.26 -5.15 113.70 114.42 2ki8 s SER 4 Ca -0.09 0.59 0.07 0.00 0.48 0.00 0.00 55.95 57.00 2ki8 s SER 4 Cb -0.03 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 2ki8 s SER 4 CO 0.04 -0.19 -0.22 -1.00 0.98 0.00 0.00 173.24 172.85 2ki8 s HIS 5 N 1.61 2.04 0.06 5.02 4.02 -1.26 -5.14 115.29 121.64 2ki8 s HIS 5 Ca -0.06 -0.42 -0.13 0.00 1.02 0.00 0.00 55.06 55.46 2ki8 s HIS 5 Cb -0.11 -1.32 -0.06 0.00 -1.02 0.00 0.00 32.58 30.07 2ki8 s HIS 5 CO -0.09 -0.06 0.44 -1.01 1.02 0.00 0.00 174.74 175.04 2ki8 s HIS 6 N -0.46 3.66 -1.13 1.40 3.76 -1.26 -5.02 115.29 116.24 2ki8 s HIS 6 Ca 0.07 0.95 -0.06 0.00 -0.15 0.00 0.00 55.06 55.86 2ki8 s HIS 6 Cb -0.09 -2.27 0.27 0.00 1.11 0.00 0.00 32.58 31.60 2ki8 s HIS 6 CO -0.00 0.55 1.49 0.72 -0.85 0.00 0.00 174.74 176.65 2ki8 n HIS 7 N 1.27 2.99 -2.20 1.40 -0.00 -1.26 -5.02 115.22 112.40 2ki8 n HIS 7 Ca -0.10 -2.87 -0.42 0.00 -0.00 0.00 0.00 57.72 54.33 2ki8 n HIS 7 Cb 0.52 -1.49 -0.03 0.00 -0.00 0.00 0.00 29.99 28.99 2ki8 n HIS 7 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2ki8 s HIS 8 N -1.83 3.26 0.09 4.41 0.00 -1.26 -5.03 115.29 114.93 2ki8 s HIS 8 Ca 0.33 0.99 0.03 0.00 -3.00 0.00 0.00 55.06 53.41 2ki8 s HIS 8 Cb 0.03 -3.65 -0.03 0.00 -4.00 0.00 0.00 32.58 24.92 2ki8 s HIS 8 CO 0.05 -2.26 -0.09 -1.58 -1.00 0.00 0.00 174.74 169.86 2ki8 s HIS 9 N 1.11 0.98 -0.13 0.38 2.46 -1.26 -5.12 115.29 113.72 2ki8 s HIS 9 Ca 0.64 -0.65 -0.29 0.00 0.47 0.00 0.00 55.06 55.22 2ki8 s HIS 9 Cb -0.36 -0.55 -0.02 0.00 -0.13 0.00 0.00 32.58 31.53 2ki8 s HIS 9 CO 0.30 -0.03 1.16 -1.01 -2.47 0.00 0.00 174.74 172.70 2ki8 s HIS 10 N -2.34 3.15 -0.95 3.88 4.02 -1.26 -4.95 115.29 116.84 2ki8 s HIS 10 Ca 0.03 1.25 -0.24 0.00 1.02 0.00 0.00 55.06 57.12 2ki8 s HIS 10 Cb -0.03 -3.39 -0.04 0.00 -1.02 0.00 0.00 32.58 28.10 2ki8 s HIS 10 CO -0.00 -1.14 1.87 -1.12 1.02 0.00 0.00 174.74 175.37 2ki8 s SER 11 N 1.53 5.36 0.24 1.40 0.01 -1.26 -4.96 113.70 116.02 2ki8 s SER 11 Ca 0.52 -0.91 -0.30 0.00 1.31 0.00 0.00 55.95 56.57 2ki8 s SER 11 Cb -0.21 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.37 2ki8 s SER 11 CO 0.16 -2.57 1.02 -0.55 0.41 0.00 0.00 173.24 171.71 2ki8 s SER 12 N 7.38 7.45 0.00 2.44 0.15 -1.26 -5.06 113.70 124.80 2ki8 s SER 12 Ca 0.66 2.07 0.00 0.00 0.70 0.00 0.00 55.95 59.38 2ki8 s SER 12 Cb -0.05 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2ki8 s SER 12 CO -0.01 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2ki8 n GLY 13 N 1.52 2.08 3.53 9.45 0.00 -1.26 -5.09 105.19 115.42 2ki8 n GLY 13 Ca -0.01 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 2ki8 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ki8 s ARG 14 N -1.84 3.46 0.00 1.61 3.00 -1.26 -5.07 118.95 118.85 2ki8 s ARG 14 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 55.73 55.09 2ki8 s ARG 14 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 34.95 31.12 2ki8 s ARG 14 CO 0.00 -0.49 0.00 0.39 0.00 0.00 0.00 175.30 175.20 2ki8 n GLU 15 N 5.17 3.75 -1.46 3.54 1.02 -1.26 -5.02 120.64 126.39 2ki8 n GLU 15 Ca -0.12 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.56 2ki8 n GLU 15 Cb 0.49 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.83 2ki8 n GLU 15 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2ki8 n ASN 16 N 0.00 1.65 -4.78 1.62 5.15 -1.26 -4.92 115.26 112.72 2ki8 n ASN 16 Ca 0.00 0.20 -0.31 0.00 -0.60 0.00 0.00 54.58 53.88 2ki8 n ASN 16 Cb 0.00 -1.22 0.08 0.00 -0.53 0.00 0.00 39.78 38.11 2ki8 n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2ki8 s LEU 17 N 8.53 2.95 -1.31 1.20 1.43 -1.26 -3.46 118.68 126.75 2ki8 s LEU 17 Ca 1.14 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 2ki8 s LEU 17 Cb -0.87 -4.41 0.00 0.00 0.03 0.00 0.00 46.19 40.94 2ki8 s LEU 17 CO 0.46 -1.92 0.00 -1.22 0.23 0.00 0.00 176.35 173.90 2ki8 n TYR 18 N -3.44 0.00 -1.66 0.29 4.01 -1.26 -4.91 117.16 110.19 2ki8 n TYR 18 Ca 0.08 0.00 -0.49 0.00 -0.16 0.00 0.00 57.90 57.34 2ki8 n TYR 18 Cb 0.54 -2.72 -0.05 0.00 -0.31 0.00 0.00 39.34 36.80 2ki8 n TYR 18 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2ki8 n PHE 19 N -2.33 2.09 0.00 -0.72 7.35 -1.23 -4.80 117.46 117.83 2ki8 n PHE 19 Ca -0.12 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 2ki8 n PHE 19 Cb 0.56 -2.51 0.00 0.00 0.35 0.00 0.00 39.48 37.88 2ki8 n PHE 19 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 2ki8 n GLN 20 N 3.96 1.05 0.00 -4.13 7.27 -1.26 -5.15 117.38 119.12 2ki8 n GLN 20 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.26 2ki8 n GLN 20 Cb 0.25 -0.35 0.00 0.00 2.41 0.00 0.00 30.24 32.56 2ki8 n GLN 20 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2ki8 n GLY 21 N 0.14 0.41 3.05 1.69 0.00 -1.26 -4.78 105.19 104.44 2ki8 n GLY 21 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 -1.08 0.39 1.61 2.46 -1.26 -5.16 115.29 112.25 2ki8 s HIS 22 Ca 0.00 0.33 -0.23 0.00 0.47 0.00 0.00 55.06 55.63 2ki8 s HIS 22 Cb 0.00 0.19 -0.10 0.00 -0.13 0.00 0.00 32.58 32.54 2ki8 s HIS 22 CO 0.00 -0.69 0.97 0.00 -2.47 0.00 0.00 174.74 172.55 2ki8 s MET 23 N 2.26 4.31 -0.11 2.88 0.23 -1.26 -4.82 119.30 122.79 2ki8 s MET 23 Ca 0.17 1.28 0.02 0.00 -1.03 0.00 0.00 55.69 56.13 2ki8 s MET 23 Cb -0.02 -2.45 -0.01 0.00 -1.53 0.00 0.00 34.83 30.81 2ki8 s MET 23 CO -0.16 0.03 -0.17 -0.51 -2.03 0.00 0.00 175.02 172.17 2ki8 s LEU 24 N -2.72 2.48 0.22 0.18 1.43 -0.25 -4.95 118.68 115.07 2ki8 s LEU 24 Ca 0.58 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.98 2ki8 s LEU 24 Cb -0.15 -1.53 -0.08 0.00 0.03 0.00 0.00 46.19 44.46 2ki8 s LEU 24 CO 0.20 0.19 1.17 -1.61 0.23 0.00 0.00 176.35 176.53 2ki8 s GLU 25 N 0.20 4.53 0.08 1.70 8.01 -1.26 -0.24 118.70 131.70 2ki8 s GLU 25 Ca -0.11 1.86 -0.11 0.00 0.01 0.00 0.00 54.97 56.63 2ki8 s GLU 25 Cb -0.16 -3.22 0.01 0.00 -4.31 0.00 0.00 34.13 26.45 2ki8 s GLU 25 CO 0.06 -0.01 0.24 0.14 0.01 0.00 0.00 175.26 175.70 2ki8 s VAL 26 N -0.40 0.12 -0.39 2.63 -7.23 -0.04 -4.55 120.40 110.54 2ki8 s VAL 26 Ca 0.50 -0.96 -0.15 0.00 -1.81 0.00 0.00 61.98 59.56 2ki8 s VAL 26 Cb -0.33 -1.16 0.01 0.00 0.56 0.00 0.00 36.38 35.46 2ki8 s VAL 26 CO 0.38 -0.53 0.31 -0.70 -0.31 0.00 0.00 175.10 174.26 2ki8 s GLU 27 N -3.38 3.18 -0.49 4.82 2.12 -0.84 -0.01 118.70 124.11 2ki8 s GLU 27 Ca 0.01 -0.83 -0.23 0.00 0.36 0.00 0.00 54.97 54.28 2ki8 s GLU 27 Cb 0.02 -3.92 0.04 0.00 0.26 0.00 0.00 34.13 30.53 2ki8 s GLU 27 CO -0.08 -0.67 0.82 0.08 -0.54 0.00 0.00 175.26 174.87 2ki8 s VAL 28 N 1.79 4.59 0.26 3.70 1.01 0.16 -1.06 120.40 130.86 2ki8 s VAL 28 Ca 0.07 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 2ki8 s VAL 28 Cb -0.18 -4.40 -0.06 0.00 0.00 0.00 0.00 36.38 31.75 2ki8 s VAL 28 CO 0.11 -0.87 0.53 -0.63 0.00 0.00 0.00 175.10 174.24 2ki8 s ILE 29 N 3.44 5.02 -0.27 2.22 1.01 -0.15 0.36 121.20 132.83 2ki8 s ILE 29 Ca 0.28 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 61.06 2ki8 s ILE 29 Cb -0.13 -3.69 0.09 0.00 0.01 0.00 0.00 42.46 38.73 2ki8 s ILE 29 CO 0.20 -0.23 0.08 -0.55 0.00 0.00 0.00 174.94 174.44 2ki8 s SER 30 N -2.90 3.60 -0.35 3.58 0.15 -1.24 -0.43 113.70 116.12 2ki8 s SER 30 Ca 0.44 -1.32 -0.17 0.00 0.70 0.00 0.00 55.95 55.61 2ki8 s SER 30 Cb -0.11 -0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 63.47 2ki8 s SER 30 CO 0.27 -0.38 0.44 -0.83 1.20 0.00 0.00 173.24 173.94 2ki8 s GLY 31 N 1.75 1.86 -1.33 9.45 0.00 -0.95 -4.64 107.32 113.46 2ki8 s GLY 31 Ca 0.06 -1.12 -0.15 0.00 0.00 0.00 0.00 44.72 43.51 2ki8 s GLY 31 CO -0.21 1.13 1.86 -0.96 0.00 0.00 0.00 173.10 174.92 2ki8 n ARG 32 N 5.55 3.16 -0.05 2.90 1.85 -1.26 -1.52 116.66 127.29 2ki8 n ARG 32 Ca -0.07 -3.18 -0.04 0.00 -1.00 0.00 0.00 57.85 53.56 2ki8 n ARG 32 Cb 0.49 -3.32 -0.14 0.00 -1.05 0.00 0.00 32.46 28.44 2ki8 n ARG 32 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2ki8 n THR 33 N 5.45 1.15 -0.09 8.89 5.66 -1.26 -4.65 114.28 129.43 2ki8 n THR 33 Ca 0.47 -0.76 -0.14 0.00 -3.05 0.00 0.00 64.05 60.58 2ki8 n THR 33 Cb 0.42 -0.51 -0.08 0.00 -1.55 0.00 0.00 70.33 68.61 2ki8 n THR 33 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ki8 n LEU 34 N -2.73 2.72 -4.54 1.09 -0.00 -1.26 -4.77 117.00 107.49 2ki8 n LEU 34 Ca -0.22 -0.04 -0.42 0.00 -0.00 0.00 0.00 56.01 55.33 2ki8 n LEU 34 Cb 0.99 -0.61 -0.01 0.00 -0.00 0.00 0.00 43.42 43.78 2ki8 n LEU 34 CO 0.44 0.74 1.61 0.21 -0.00 0.00 0.00 177.39 180.38 2ki8 s ASN 35 N -5.89 6.71 -0.17 1.45 2.47 -1.26 -4.75 114.94 113.50 2ki8 s ASN 35 Ca -0.24 -2.07 0.17 0.00 0.42 0.00 0.00 52.86 51.13 2ki8 s ASN 35 Cb 0.07 -2.54 0.46 0.00 -1.45 0.00 0.00 41.25 37.79 2ki8 s ASN 35 CO 0.40 -1.24 1.34 0.00 -3.72 0.00 0.00 177.10 173.88 2ki8 n GLN 36 N 8.08 2.38 0.00 0.43 6.02 -1.26 -4.83 117.38 128.19 2ki8 n GLN 36 Ca 0.39 -2.79 0.00 0.00 -0.01 0.00 0.00 57.00 54.58 2ki8 n GLN 36 Cb 0.48 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 30.00 2ki8 n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ki8 n GLY 37 N -0.82 1.06 3.71 1.08 0.00 -1.26 -5.12 105.19 103.84 2ki8 n GLY 37 Ca 0.20 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 3.41 1.14 4.61 0.00 -1.26 -5.04 121.76 124.63 2ki8 s ALA 38 Ca 0.00 0.88 -0.19 0.00 0.00 0.00 0.00 51.96 52.66 2ki8 s ALA 38 Cb 0.00 -3.45 0.27 0.00 0.00 0.00 0.00 23.12 19.94 2ki8 s ALA 38 CO 0.00 -0.45 1.19 0.95 0.00 0.00 0.00 175.76 177.45 2ki8 s THR 39 N 1.00 1.70 0.52 0.00 -4.23 -1.26 -4.87 115.64 108.50 2ki8 s THR 39 Ca 0.59 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 61.38 2ki8 s THR 39 Cb -0.30 -2.66 0.33 0.00 1.34 0.00 0.00 72.50 71.20 2ki8 s THR 39 CO 0.30 0.00 2.18 -0.37 -0.54 0.00 0.00 174.62 176.18 2ki8 h VAL 40 N -2.34 0.56 0.04 2.29 -1.51 -1.96 -2.83 116.25 110.50 2ki8 h VAL 40 Ca -0.44 -0.23 -0.00 0.00 -1.23 0.00 0.00 66.70 64.80 2ki8 h VAL 40 Cb 1.27 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 2ki8 h VAL 40 CO 0.33 0.05 -0.02 -0.08 -1.23 0.00 0.00 177.57 176.62 2ki8 h GLU 41 N 0.00 -0.05 -0.00 5.19 4.22 -1.98 0.28 114.58 122.23 2ki8 h GLU 41 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2ki8 h GLU 41 Cb 0.14 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2ki8 h GLU 41 CO 0.01 0.47 0.07 0.93 -2.18 0.00 0.00 179.01 178.31 2ki8 h GLU 42 N -0.62 0.00 -0.04 1.92 3.07 -1.88 -2.78 114.58 114.26 2ki8 h GLU 42 Ca -0.01 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.77 2ki8 h GLU 42 Cb 0.55 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.31 2ki8 h GLU 42 CO 0.01 0.00 -0.69 1.63 -1.40 0.00 0.00 179.01 178.55 2ki8 n LYS 43 N -3.05 1.17 -1.84 2.33 5.02 -1.04 -5.00 118.16 115.75 2ki8 n LYS 43 Ca -0.03 -2.93 -0.21 0.00 -2.02 0.00 0.00 58.31 53.12 2ki8 n LYS 43 Cb 0.13 -1.13 -0.07 0.00 -0.02 0.00 0.00 35.03 33.94 2ki8 n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ki8 s LEU 44 N -2.24 2.91 0.08 -0.35 1.43 0.95 -4.47 118.68 116.99 2ki8 s LEU 44 Ca 0.37 -0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 2ki8 s LEU 44 Cb 0.38 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 44.05 2ki8 s LEU 44 CO -0.10 -3.49 0.33 0.28 0.23 0.00 0.00 176.35 173.60 2ki8 s THR 45 N 12.84 0.09 0.55 5.49 -1.32 -1.26 -5.03 115.64 127.00 2ki8 s THR 45 Ca 0.78 -0.71 0.25 0.00 -1.21 0.00 0.00 61.69 60.81 2ki8 s THR 45 Cb -0.07 -1.10 0.36 0.00 -1.51 0.00 0.00 72.50 70.18 2ki8 s THR 45 CO 0.08 -0.39 2.06 -0.08 -2.21 0.00 0.00 174.62 174.08 2ki8 h GLU 46 N 2.80 0.00 -0.53 7.08 4.81 -1.99 0.91 114.58 127.66 2ki8 h GLU 46 Ca -0.33 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.94 2ki8 h GLU 46 Cb 1.22 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 2ki8 h GLU 46 CO 0.48 0.00 0.29 1.49 -0.73 0.00 0.00 179.01 180.54 2ki8 h GLU 47 N 0.00 0.54 -0.46 1.92 4.81 -1.95 -1.38 114.58 118.06 2ki8 h GLU 47 Ca 0.14 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 2ki8 h GLU 47 Cb 0.63 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 2ki8 h GLU 47 CO -0.00 0.36 -0.07 -0.92 -0.73 0.00 0.00 179.01 177.65 2ki8 h TYR 48 N 0.56 0.87 0.64 0.92 5.03 -1.06 -3.08 116.97 120.84 2ki8 h TYR 48 Ca 0.22 -0.15 -0.03 0.00 2.58 0.00 0.00 58.73 61.36 2ki8 h TYR 48 Cb 0.10 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.15 2ki8 h TYR 48 CO -0.09 0.84 -0.36 0.35 -1.32 0.00 0.00 178.16 177.58 2ki8 h PHE 49 N 0.73 -0.95 -0.19 -3.82 3.57 -0.85 -2.57 116.94 112.87 2ki8 h PHE 49 Ca 0.13 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.67 2ki8 h PHE 49 Cb 0.55 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 2ki8 h PHE 49 CO 0.03 -0.55 0.28 -0.91 -2.23 0.00 0.00 178.31 174.93 2ki8 h ASN 50 N -0.92 0.00 0.23 0.41 2.35 -1.31 -1.88 115.58 114.46 2ki8 h ASN 50 Ca -0.09 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.33 2ki8 h ASN 50 Cb 0.73 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.13 2ki8 h ASN 50 CO 0.11 0.00 -1.53 0.00 -1.65 0.00 0.00 177.43 174.36 2ki8 h ALA 51 N 1.62 -0.07 -0.39 -0.83 0.00 -1.42 -3.38 119.26 114.80 2ki8 h ALA 51 Ca 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2ki8 h ALA 51 Cb 0.65 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2ki8 h ALA 51 CO -0.00 0.77 0.00 1.33 0.00 0.00 0.00 179.25 181.35 2ki8 n VAL 52 N -3.71 1.54 -1.16 0.00 0.24 -0.87 -4.61 118.33 109.76 2ki8 n VAL 52 Ca -0.19 -1.31 -0.08 0.00 -2.04 0.00 0.00 64.34 60.72 2ki8 n VAL 52 Cb 1.08 0.20 0.25 0.00 -1.47 0.00 0.00 33.84 33.91 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 0.34 4.02 -3.92 -1.34 3.02 -0.76 -4.69 115.26 111.94 2ki8 n ASN 53 Ca 0.17 -3.40 -0.08 0.00 -0.03 0.00 0.00 54.58 51.24 2ki8 n ASN 53 Cb 0.66 -0.72 -0.08 0.00 -0.61 0.00 0.00 39.78 39.03 2ki8 n ASN 53 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2ki8 s TYR 54 N -3.10 0.25 0.03 3.10 -0.85 -1.26 -0.92 117.35 114.59 2ki8 s TYR 54 Ca 0.52 -0.70 0.03 0.00 -0.52 0.00 0.00 57.07 56.40 2ki8 s TYR 54 Cb 0.43 -0.15 -0.02 0.00 0.38 0.00 0.00 41.96 42.61 2ki8 s TYR 54 CO 0.10 -0.50 -0.10 0.00 -1.52 0.00 0.00 175.55 173.53 2ki8 s ALA 55 N -3.83 0.77 -0.32 9.51 0.00 -0.19 -4.33 121.76 123.37 2ki8 s ALA 55 Ca 0.05 -0.67 -0.15 0.00 0.00 0.00 0.00 51.96 51.19 2ki8 s ALA 55 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 2ki8 s ALA 55 CO -0.11 0.10 0.37 -1.21 0.00 0.00 0.00 175.76 174.91 2ki8 s GLU 56 N -1.11 3.72 0.05 0.00 2.02 0.15 -0.83 118.70 122.69 2ki8 s GLU 56 Ca -0.03 -0.26 0.04 0.00 0.02 0.00 0.00 54.97 54.75 2ki8 s GLU 56 Cb -0.07 -3.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.37 2ki8 s GLU 56 CO 0.01 -0.44 -0.05 0.42 0.02 0.00 0.00 175.26 175.21 2ki8 s ILE 57 N 2.05 3.74 0.50 -1.63 1.09 -0.11 -2.22 121.20 124.62 2ki8 s ILE 57 Ca 0.13 -0.92 -0.23 0.00 -1.10 0.00 0.00 60.65 58.54 2ki8 s ILE 57 Cb -0.16 -2.70 -0.06 0.00 -1.06 0.00 0.00 42.46 38.48 2ki8 s ILE 57 CO 0.11 0.26 1.29 0.21 -0.10 0.00 0.00 174.94 176.72 2ki8 s ASN 58 N -1.83 5.70 0.25 3.58 3.84 -1.26 -2.13 114.94 123.09 2ki8 s ASN 58 Ca 0.21 2.61 -0.06 0.00 0.21 0.00 0.00 52.86 55.83 2ki8 s ASN 58 Cb -0.11 -2.63 0.30 0.00 -0.55 0.00 0.00 41.25 38.26 2ki8 s ASN 58 CO 0.12 -1.26 1.89 -0.08 -2.79 0.00 0.00 177.10 174.98 2ki8 h GLU 59 N 1.82 1.15 0.11 0.43 4.81 -1.87 0.21 114.58 121.24 2ki8 h GLU 59 Ca -0.50 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.65 2ki8 h GLU 59 Cb 1.28 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.40 2ki8 h GLU 59 CO 0.59 0.76 -0.05 0.93 -0.73 0.00 0.00 179.01 180.51 2ki8 h GLU 60 N 1.18 -0.14 -0.39 1.92 4.39 -1.98 -0.38 114.58 119.18 2ki8 h GLU 60 Ca 0.37 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 60.01 2ki8 h GLU 60 Cb -0.00 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2ki8 h GLU 60 CO -0.12 -0.06 -0.07 -0.44 -1.16 0.00 0.00 179.01 177.17 2ki8 h ASP 61 N -0.19 0.65 -0.10 1.42 3.32 -1.89 -0.78 116.42 118.83 2ki8 h ASP 61 Ca -0.02 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 56.91 2ki8 h ASP 61 Cb 0.15 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 2ki8 h ASP 61 CO 0.03 0.76 -0.26 -0.25 -1.72 0.00 0.00 179.24 177.80 2ki8 h TRP 62 N 0.62 -0.69 0.00 4.55 2.91 -0.28 -0.38 115.95 122.69 2ki8 h TRP 62 Ca 0.12 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 60.06 2ki8 h TRP 62 Cb 0.49 0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 29.44 2ki8 h TRP 62 CO 0.02 -0.34 -0.51 -0.91 -1.03 0.00 0.00 178.44 175.67 2ki8 h ASN 63 N -0.34 0.00 -0.28 2.65 2.35 -0.92 -1.07 115.58 117.96 2ki8 h ASN 63 Ca 0.09 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 2ki8 h ASN 63 Cb 0.47 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 2ki8 h ASN 63 CO -0.30 0.51 0.01 0.00 -1.65 0.00 0.00 177.43 176.00 2ki8 h ALA 64 N 1.49 1.30 -0.06 -0.83 0.00 -0.50 -2.10 119.26 118.56 2ki8 h ALA 64 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2ki8 h ALA 64 Cb 0.92 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2ki8 h ALA 64 CO 0.07 0.48 0.00 1.28 0.00 0.00 0.00 179.25 181.07 2ki8 n LEU 65 N -4.26 1.54 -3.64 0.00 4.77 -0.21 -4.94 117.00 110.26 2ki8 n LEU 65 Ca 0.02 -0.56 -0.25 0.00 -0.03 0.00 0.00 56.01 55.19 2ki8 n LEU 65 Cb 0.26 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 2ki8 n LEU 65 CO 0.40 0.28 0.22 0.61 -1.33 0.00 0.00 177.39 177.57 2ki8 n GLY 66 N 1.16 -0.53 3.76 -0.72 0.00 -0.79 -4.79 105.19 103.28 2ki8 n GLY 66 Ca 0.18 0.24 -0.39 0.00 0.00 0.00 0.00 46.02 46.05 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 -7.27 4.45 0.03 0.99 1.43 -0.44 -5.03 118.68 112.85 2ki8 s LEU 67 Ca 0.57 2.12 0.02 0.00 -1.03 0.00 0.00 54.13 55.81 2ki8 s LEU 67 Cb -0.26 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.13 2ki8 s LEU 67 CO 0.75 -0.16 0.04 -1.58 0.23 0.00 0.00 176.35 175.63 2ki8 s GLN 68 N -1.70 2.84 -0.46 1.70 0.74 -1.26 -4.84 119.66 116.68 2ki8 s GLN 68 Ca 0.47 -0.64 -0.27 0.00 0.05 0.00 0.00 55.36 54.98 2ki8 s GLN 68 Cb -0.27 -2.71 -0.05 0.00 1.10 0.00 0.00 33.01 31.08 2ki8 s GLN 68 CO 0.35 0.60 2.16 -1.21 -0.55 0.00 0.00 175.29 176.63 2ki8 s GLU 69 N -1.94 2.54 0.00 1.67 2.02 -1.26 -0.11 118.70 121.62 2ki8 s GLU 69 Ca 0.24 1.28 0.00 0.00 0.02 0.00 0.00 54.97 56.51 2ki8 s GLU 69 Cb -0.12 -4.45 0.00 0.00 0.10 0.00 0.00 34.13 29.66 2ki8 s GLU 69 CO 0.15 -2.79 0.00 0.41 0.02 0.00 0.00 175.26 173.06 2ki8 n GLY 70 N 5.81 1.08 3.69 -1.39 0.00 -1.03 -5.06 105.19 108.29 2ki8 n GLY 70 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 2ki8 n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ki8 s ASP 71 N -1.51 2.30 -0.21 1.61 -1.08 0.84 -4.68 116.67 113.95 2ki8 s ASP 71 Ca 0.00 0.89 -0.06 0.00 -0.52 0.00 0.00 52.55 52.86 2ki8 s ASP 71 Cb 0.00 -1.37 -0.03 0.00 -1.46 0.00 0.00 42.92 40.06 2ki8 s ASP 71 CO 0.00 -3.30 0.04 -0.13 0.52 0.00 0.00 175.17 172.30 2ki8 s ARG 72 N -5.23 3.72 -0.11 4.34 3.00 -1.26 -0.83 118.95 122.57 2ki8 s ARG 72 Ca 0.67 -0.46 0.00 0.00 0.00 0.00 0.00 55.73 55.94 2ki8 s ARG 72 Cb -0.14 -3.20 -0.02 0.00 0.00 0.00 0.00 34.95 31.59 2ki8 s ARG 72 CO 0.56 0.01 -0.12 0.14 0.00 0.00 0.00 175.30 175.89 2ki8 s VAL 73 N 1.05 3.19 -0.41 3.52 -7.23 -0.30 -1.45 120.40 118.77 2ki8 s VAL 73 Ca 0.03 -0.63 -0.14 0.00 -1.81 0.00 0.00 61.98 59.43 2ki8 s VAL 73 Cb -0.14 -2.33 0.02 0.00 0.56 0.00 0.00 36.38 34.49 2ki8 s VAL 73 CO 0.02 0.54 0.29 -0.75 -0.31 0.00 0.00 175.10 174.89 2ki8 s LYS 74 N 0.07 2.95 -0.16 4.82 2.20 0.94 -1.25 119.74 129.31 2ki8 s LYS 74 Ca -0.04 -1.03 -0.17 0.00 -0.36 0.00 0.00 55.97 54.36 2ki8 s LYS 74 Cb -0.14 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.19 2ki8 s LYS 74 CO 0.04 -0.75 0.46 0.08 -0.36 0.00 0.00 175.35 174.82 2ki8 s VAL 75 N 1.66 5.17 -0.07 4.02 1.01 0.32 -2.20 120.40 130.32 2ki8 s VAL 75 Ca 0.05 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2ki8 s VAL 75 Cb -0.19 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.42 2ki8 s VAL 75 CO 0.09 0.27 -0.04 -0.54 0.00 0.00 0.00 175.10 174.88 2ki8 s LYS 76 N 1.07 0.96 0.07 2.72 1.02 -0.05 -1.42 119.74 124.11 2ki8 s LYS 76 Ca 0.23 -0.09 0.01 0.00 0.02 0.00 0.00 55.97 56.14 2ki8 s LYS 76 Cb -0.15 -1.07 -0.00 0.00 -0.52 0.00 0.00 37.83 36.09 2ki8 s LYS 76 CO 0.09 -0.18 0.03 0.25 -0.92 0.00 0.00 175.35 174.62 2ki8 n THR 77 N 4.55 0.00 1.56 2.17 -2.24 -0.19 0.37 114.28 120.50 2ki8 n THR 77 Ca -0.17 -0.42 0.13 0.00 -2.27 0.00 0.00 64.05 61.33 2ki8 n THR 77 Cb 0.50 0.16 0.76 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.15 0.74 -0.10 -0.78 0.28 -1.26 -3.32 120.64 116.04 2ki8 n GLU 78 Ca -0.01 0.01 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 2ki8 n GLU 78 Cb 0.11 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.35 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 -1.06 0.00 -3.63 -1.84 3.01 -1.26 -5.12 117.46 107.56 2ki8 n PHE 79 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.64 2ki8 n PHE 79 Cb 0.11 -0.88 0.00 0.00 -0.01 0.00 0.00 39.48 38.71 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 2.14 -1.10 3.03 1.37 0.00 -0.97 -4.83 105.19 104.84 2ki8 n GLY 80 Ca -0.34 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.26 0.27 0.01 1.61 -1.05 -1.26 -1.02 118.70 116.00 2ki8 s GLU 81 Ca 0.00 -0.09 -0.06 0.00 -0.15 0.00 0.00 54.97 54.68 2ki8 s GLU 81 Cb 0.00 0.12 -0.00 0.00 -0.44 0.00 0.00 34.13 33.80 2ki8 s GLU 81 CO 0.00 -0.05 0.10 0.54 0.95 0.00 0.00 175.26 176.80 2ki8 s VAL 82 N -0.54 0.09 -0.24 1.83 0.11 -0.51 -4.96 120.40 116.18 2ki8 s VAL 82 Ca -0.06 -0.77 -0.07 0.00 -2.93 0.00 0.00 61.98 58.15 2ki8 s VAL 82 Cb -0.04 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 2ki8 s VAL 82 CO 0.00 -0.43 0.05 -0.69 -3.33 0.00 0.00 175.10 170.71 2ki8 s VAL 83 N -1.51 4.15 0.34 2.04 1.01 -1.26 -0.53 120.40 124.65 2ki8 s VAL 83 Ca -0.14 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2ki8 s VAL 83 Cb -0.08 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2ki8 s VAL 83 CO 0.01 0.36 0.10 0.68 0.00 0.00 0.00 175.10 176.24 2ki8 s VAL 84 N 1.55 0.78 0.26 2.92 -7.23 -0.38 -2.47 120.40 115.83 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 -0.15 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.11 2ki8 s VAL 84 CO 0.02 0.00 0.99 -0.36 -0.31 0.00 0.00 175.10 175.44 2ki8 s PHE 85 N -3.38 3.83 -0.18 2.82 0.08 -0.10 -1.15 117.98 119.89 2ki8 s PHE 85 Ca 0.32 1.84 -0.16 0.00 0.12 0.00 0.00 56.93 59.05 2ki8 s PHE 85 Cb 0.06 -3.06 -0.04 0.00 -0.57 0.00 0.00 43.02 39.41 2ki8 s PHE 85 CO 0.15 0.13 0.42 0.00 -0.10 0.00 0.00 175.22 175.82 2ki8 s ALA 86 N -1.22 3.54 0.05 5.36 0.00 -0.01 -1.02 121.76 128.47 2ki8 s ALA 86 Ca 0.43 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.01 2ki8 s ALA 86 Cb -0.27 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 2ki8 s ALA 86 CO 0.34 -0.24 -0.20 0.15 0.00 0.00 0.00 175.76 175.81 2ki8 s LYS 87 N 1.17 1.31 -0.41 0.00 1.02 -0.01 -2.48 119.74 120.34 2ki8 s LYS 87 Ca 0.21 -0.95 -0.27 0.00 0.02 0.00 0.00 55.97 54.97 2ki8 s LYS 87 Cb -0.15 -1.44 0.02 0.00 -0.52 0.00 0.00 37.83 35.75 2ki8 s LYS 87 CO 0.08 0.36 0.99 0.21 -0.92 0.00 0.00 175.35 176.08 2ki8 s LYS 88 N -1.27 3.75 0.36 1.68 2.20 -1.26 -0.93 119.74 124.27 2ki8 s LYS 88 Ca 0.07 0.52 0.06 0.00 -0.36 0.00 0.00 55.97 56.25 2ki8 s LYS 88 Cb -0.09 -3.85 -0.07 0.00 -1.51 0.00 0.00 37.83 32.31 2ki8 s LYS 88 CO 0.02 -1.12 0.01 0.20 -0.36 0.00 0.00 175.35 174.10 2ki8 s GLY 89 N 2.10 2.26 -1.39 5.54 0.00 -0.91 -4.86 107.32 110.06 2ki8 s GLY 89 Ca 0.41 -2.16 -0.16 0.00 0.00 0.00 0.00 44.72 42.81 2ki8 s GLY 89 CO 0.24 -1.96 2.04 1.22 0.00 0.00 0.00 173.10 174.63 2ki8 n ASP 90 N -0.81 4.26 -4.11 1.64 9.92 -1.26 -4.45 116.55 121.74 2ki8 n ASP 90 Ca -0.04 -2.87 -0.17 0.00 -0.53 0.00 0.00 54.79 51.18 2ki8 n ASP 90 Cb 0.66 -1.69 -0.12 0.00 -0.64 0.00 0.00 41.12 39.33 2ki8 n ASP 90 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2ki8 s VAL 91 N 3.66 0.89 0.84 2.53 -7.23 -1.26 -5.06 120.40 114.76 2ki8 s VAL 91 Ca 0.50 -1.06 -0.12 0.00 -1.81 0.00 0.00 61.98 59.48 2ki8 s VAL 91 Cb 0.10 -0.86 0.10 0.00 0.56 0.00 0.00 36.38 36.28 2ki8 s VAL 91 CO -0.02 -0.18 1.18 -2.84 -0.31 0.00 0.00 175.10 172.94 2ki8 s PRO 92 N -1.39 1.48 0.49 4.82 0.02 -1.26 -4.43 135.00 134.73 2ki8 s PRO 92 Ca -0.03 1.68 -0.23 0.00 0.02 0.00 0.00 61.00 62.43 2ki8 s PRO 92 Cb -0.09 -1.77 -0.07 0.00 0.02 0.00 0.00 34.50 32.60 2ki8 s PRO 92 CO 0.01 -2.32 1.30 0.21 -0.33 0.00 0.00 177.00 175.88 2ki8 s LYS 93 N -4.31 3.52 -1.65 5.54 2.20 -1.26 -2.12 119.74 121.65 2ki8 s LYS 93 Ca 0.71 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 58.43 2ki8 s LYS 93 Cb -0.26 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 2ki8 s LYS 93 CO 0.53 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 2ki8 n GLY 94 N 0.62 0.09 3.18 5.54 0.00 -1.26 -5.00 105.19 108.37 2ki8 n GLY 94 Ca 0.08 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.61 0.34 0.01 1.61 0.00 -0.90 -1.98 119.30 113.77 2ki8 s MET 95 Ca 0.00 0.51 0.01 0.00 0.00 0.00 0.00 55.69 56.21 2ki8 s MET 95 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 34.83 34.91 2ki8 s MET 95 CO 0.00 -0.09 -0.04 0.96 0.00 0.00 0.00 175.02 175.85 2ki8 s ILE 96 N 0.58 0.27 -0.15 10.11 -4.36 -0.22 -4.23 121.20 123.20 2ki8 s ILE 96 Ca -0.03 -0.53 -0.05 0.00 -0.26 0.00 0.00 60.65 59.78 2ki8 s ILE 96 Cb -0.05 -0.31 -0.04 0.00 1.25 0.00 0.00 42.46 43.32 2ki8 s ILE 96 CO -0.03 -0.17 0.03 0.12 0.24 0.00 0.00 174.94 175.12 2ki8 s PHE 97 N -0.70 3.21 -0.04 1.37 5.36 -0.94 -0.97 117.98 125.26 2ki8 s PHE 97 Ca -0.05 0.06 0.03 0.00 -0.96 0.00 0.00 56.93 56.01 2ki8 s PHE 97 Cb -0.05 -1.96 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 2ki8 s PHE 97 CO -0.00 0.24 -0.13 0.42 -1.46 0.00 0.00 175.22 174.29 2ki8 s ILE 98 N -0.08 1.13 0.30 3.12 1.01 0.42 -0.68 121.20 126.43 2ki8 s ILE 98 Ca 0.05 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 2ki8 s ILE 98 Cb -0.12 -1.00 -0.11 0.00 0.01 0.00 0.00 42.46 41.24 2ki8 s ILE 98 CO 0.02 0.34 1.52 -2.16 0.00 0.00 0.00 174.94 174.66 2ki8 s PRO 99 N 0.26 4.16 -0.29 2.79 0.04 -1.26 -2.25 135.00 138.46 2ki8 s PRO 99 Ca -0.06 2.50 -0.28 0.00 0.04 0.00 0.00 61.00 63.20 2ki8 s PRO 99 Cb -0.12 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.33 2ki8 s PRO 99 CO 0.02 -0.54 2.27 -0.12 0.04 0.00 0.00 177.00 178.67 2ki8 n MET 100 N 1.76 1.71 -2.41 4.56 1.56 -0.57 -4.58 117.12 119.15 2ki8 n MET 100 Ca 0.06 0.40 -0.05 0.00 -0.27 0.00 0.00 57.70 57.84 2ki8 n MET 100 Cb 0.39 -3.23 0.01 0.00 2.15 0.00 0.00 33.22 32.53 2ki8 n MET 100 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2ki8 n GLY 101 N 5.88 1.82 0.27 -5.12 0.00 -1.26 -4.38 105.19 102.40 2ki8 n GLY 101 Ca 0.32 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.19 1.61 0.13 -1.90 0.97 132.00 133.01 2ki8 h PRO 102 Ca -0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 2ki8 h PRO 102 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 2ki8 h PRO 102 CO 0.19 0.08 -0.09 1.88 -0.23 0.00 0.00 178.00 179.83 2ki8 h TYR 103 N 0.00 -0.24 -0.32 1.56 -1.99 -1.92 -3.16 116.97 110.90 2ki8 h TYR 103 Ca -0.00 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 2ki8 h TYR 103 Cb 0.20 0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.99 2ki8 h TYR 103 CO 0.00 0.17 0.15 0.00 -0.00 0.00 0.00 178.16 178.48 2ki8 h ALA 104 N -0.25 1.68 -0.04 3.88 0.00 -1.72 -2.21 119.26 120.59 2ki8 h ALA 104 Ca -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2ki8 h ALA 104 Cb 0.52 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2ki8 h ALA 104 CO 0.04 0.27 0.10 -0.97 0.00 0.00 0.00 179.25 178.69 2ki8 h ASN 105 N 0.44 0.00 0.95 0.00 -1.24 -0.78 0.28 115.58 115.22 2ki8 h ASN 105 Ca 0.11 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.94 2ki8 h ASN 105 Cb 0.05 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 2ki8 h ASN 105 CO -0.02 0.00 -0.88 0.24 -1.29 0.00 0.00 177.43 175.48 2ki8 h MET 106 N 0.00 0.00 0.00 6.67 0.00 -1.37 -3.37 114.93 116.85 2ki8 h MET 106 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.72 2ki8 h MET 106 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.81 2ki8 h MET 106 CO -0.00 0.88 -1.30 1.33 0.00 0.00 0.00 176.91 177.82 2ki8 n VAL 107 N -3.43 0.00 -2.75 -2.22 0.24 -0.17 -2.28 118.33 107.71 2ki8 n VAL 107 Ca -0.00 -0.21 -0.22 0.00 -2.04 0.00 0.00 64.34 61.86 2ki8 n VAL 107 Cb 0.86 0.37 0.10 0.00 -1.47 0.00 0.00 33.84 33.69 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 -2.53 2.09 -0.46 1.34 -4.36 0.79 -4.50 121.20 113.57 2ki8 s ILE 108 Ca -0.03 -0.74 -0.21 0.00 -0.26 0.00 0.00 60.65 59.42 2ki8 s ILE 108 Cb 0.06 -2.35 0.03 0.00 1.25 0.00 0.00 42.46 41.45 2ki8 s ILE 108 CO 0.37 0.00 0.66 -0.62 0.24 0.00 0.00 174.94 175.58 2ki8 s ASP 109 N -4.74 6.30 0.00 4.36 2.15 -1.26 -4.88 116.67 118.59 2ki8 s ASP 109 Ca 0.66 -0.46 0.24 0.00 0.43 0.00 0.00 52.55 53.41 2ki8 s ASP 109 Cb -0.05 -2.32 1.18 0.00 -0.30 0.00 0.00 42.92 41.43 2ki8 s ASP 109 CO 0.43 -0.83 1.79 -0.81 -0.17 0.00 0.00 175.17 175.58 2ki8 n PRO 110 N 6.32 0.29 -0.04 4.34 -0.04 -1.26 -3.30 135.00 141.31 2ki8 n PRO 110 Ca -0.02 0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.34 2ki8 n PRO 110 Cb 0.47 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 2ki8 n PRO 110 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2ki8 h SER 111 N 0.00 0.92 -2.41 3.54 0.87 -2.00 -3.46 113.55 111.01 2ki8 h SER 111 Ca 0.00 -0.56 -0.09 0.00 -1.23 0.00 0.00 61.79 59.91 2ki8 h SER 111 Cb 0.25 -0.27 0.04 0.00 -0.44 0.00 0.00 62.40 61.98 2ki8 h SER 111 CO 0.00 1.35 0.09 1.07 -0.53 0.00 0.00 176.83 178.81 2ki8 n THR 112 N -3.96 0.00 0.00 2.23 5.66 -1.21 -5.05 114.28 111.96 2ki8 n THR 112 Ca -0.06 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 2ki8 n THR 112 Cb 0.69 -1.88 0.00 0.00 -1.55 0.00 0.00 70.33 67.59 2ki8 n THR 112 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2ki8 n ASP 113 N -3.17 0.00 -1.00 1.09 2.03 -1.26 -5.07 116.55 109.17 2ki8 n ASP 113 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2ki8 n ASP 113 Cb 0.12 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 2ki8 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ki8 n GLY 114 N -0.22 -0.14 3.56 0.27 0.00 -1.26 -4.92 105.19 102.48 2ki8 n GLY 114 Ca 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 2ki8 n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ki8 s THR 115 N -1.22 3.05 0.00 2.61 2.01 -1.26 -4.09 115.64 116.73 2ki8 s THR 115 Ca 0.00 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2ki8 s THR 115 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.40 2ki8 s THR 115 CO 0.00 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 2ki8 n GLY 116 N 6.59 1.27 2.94 4.40 0.00 -1.26 -4.77 105.19 114.37 2ki8 n GLY 116 Ca 0.43 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 0.34 0.15 1.61 -1.94 -1.26 -5.04 119.30 113.16 2ki8 s MET 117 Ca 0.00 -0.15 0.25 0.00 -1.71 0.00 0.00 55.69 54.08 2ki8 s MET 117 Cb 0.00 -0.33 0.45 0.00 2.01 0.00 0.00 34.83 36.97 2ki8 s MET 117 CO 0.00 0.09 1.44 -1.00 -0.01 0.00 0.00 175.02 175.53 2ki8 h PRO 118 N 6.05 0.00 -5.72 2.03 0.13 -1.86 -3.48 132.00 129.15 2ki8 h PRO 118 Ca -0.27 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.54 2ki8 h PRO 118 Cb 1.20 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.48 2ki8 h PRO 118 CO 0.50 0.00 -0.89 1.04 -0.23 0.00 0.00 178.00 178.43 2ki8 n GLN 119 N -2.18 -1.98 -3.33 0.86 6.02 -1.26 -3.95 117.38 111.55 2ki8 n GLN 119 Ca 0.04 0.73 -0.31 0.00 -0.01 0.00 0.00 57.00 57.44 2ki8 n GLN 119 Cb 0.44 -5.25 0.03 0.00 1.02 0.00 0.00 30.24 26.49 2ki8 n GLN 119 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2ki8 n PHE 120 N -3.58 -2.92 -3.64 1.08 3.72 -1.26 -5.02 117.46 105.84 2ki8 n PHE 120 Ca -0.08 1.21 -0.06 0.00 -0.05 0.00 0.00 57.45 58.46 2ki8 n PHE 120 Cb 0.61 -2.41 -0.07 0.00 -0.94 0.00 0.00 39.48 36.67 2ki8 n PHE 120 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2ki8 s LYS 121 N -2.50 0.50 0.21 -1.08 2.20 -1.25 -5.18 119.74 112.64 2ki8 s LYS 121 Ca 0.35 0.72 0.04 0.00 -0.36 0.00 0.00 55.97 56.72 2ki8 s LYS 121 Cb -0.05 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 2ki8 s LYS 121 CO 0.85 -0.08 0.20 0.41 -0.36 0.00 0.00 175.35 176.37 2ki8 n GLY 122 N 3.09 3.17 3.65 5.54 0.00 -1.26 -4.78 105.19 114.60 2ki8 n GLY 122 Ca -0.16 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.83 4.73 0.59 1.61 1.01 0.16 -4.69 120.40 120.98 2ki8 s VAL 123 Ca 0.24 1.80 -0.16 0.00 0.00 0.00 0.00 61.98 63.86 2ki8 s VAL 123 Cb 0.01 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2ki8 s VAL 123 CO 0.17 -0.16 1.07 -0.54 0.00 0.00 0.00 175.10 175.64 2ki8 s LYS 124 N 3.09 3.26 0.00 2.72 1.02 -1.26 0.40 119.74 128.97 2ki8 s LYS 124 Ca 0.40 1.28 0.00 0.00 0.02 0.00 0.00 55.97 57.67 2ki8 s LYS 124 Cb -0.15 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 2ki8 s LYS 124 CO 0.07 -0.87 0.00 0.41 -0.92 0.00 0.00 175.35 174.05 2ki8 n GLY 125 N -0.75 -1.00 3.17 -3.33 0.00 0.99 -4.57 105.19 99.70 2ki8 n GLY 125 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 0.55 0.01 2.61 -4.23 0.16 -0.86 115.64 109.88 2ki8 s THR 126 Ca 0.00 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 2ki8 s THR 126 Cb 0.00 -1.81 -0.01 0.00 1.34 0.00 0.00 72.50 72.02 2ki8 s THR 126 CO 0.00 -0.75 -0.04 0.54 -0.54 0.00 0.00 174.62 173.83 2ki8 s VAL 127 N -3.73 0.27 -0.06 2.29 0.11 0.66 -0.88 120.40 119.08 2ki8 s VAL 127 Ca 0.15 -0.46 -0.10 0.00 -2.93 0.00 0.00 61.98 58.64 2ki8 s VAL 127 Cb 0.06 -0.29 0.02 0.00 -1.53 0.00 0.00 36.38 34.64 2ki8 s VAL 127 CO -0.03 -0.13 0.25 -1.83 -3.33 0.00 0.00 175.10 170.04 2ki8 s GLU 128 N -0.63 0.44 0.27 1.54 -1.05 -0.93 -1.09 118.70 117.24 2ki8 s GLU 128 Ca -0.04 0.07 -0.25 0.00 -0.15 0.00 0.00 54.97 54.60 2ki8 s GLU 128 Cb -0.05 0.20 -0.09 0.00 -0.44 0.00 0.00 34.13 33.75 2ki8 s GLU 128 CO -0.00 -0.09 0.87 0.21 0.95 0.00 0.00 175.26 177.20 2ki8 s LYS 129 N -0.55 4.54 0.12 -4.83 2.20 -1.26 -0.04 119.74 119.92 2ki8 s LYS 129 Ca -0.07 1.22 0.04 0.00 -0.36 0.00 0.00 55.97 56.81 2ki8 s LYS 129 Cb -0.04 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.30 2ki8 s LYS 129 CO 0.02 0.38 -0.11 -0.08 -0.36 0.00 0.00 175.35 175.20 2ki8 s THR 130 N -1.47 1.06 -0.55 3.43 -1.32 -0.53 -4.85 115.64 111.40 2ki8 s THR 130 Ca 0.45 -1.79 0.24 0.00 -1.21 0.00 0.00 61.69 59.39 2ki8 s THR 130 Cb -0.20 -1.54 0.21 0.00 -1.51 0.00 0.00 72.50 69.46 2ki8 s THR 130 CO 0.25 -0.61 1.52 -0.78 -2.21 0.00 0.00 174.62 172.79 2ki8 h ASP 131 N 3.30 0.00 -3.40 8.08 3.58 -1.97 -3.42 116.42 122.58 2ki8 h ASP 131 Ca -0.37 -0.05 -0.41 0.00 0.42 0.00 0.00 57.03 56.62 2ki8 h ASP 131 Cb 1.19 0.00 0.20 0.00 1.72 0.00 0.00 39.33 42.44 2ki8 h ASP 131 CO 0.56 0.02 0.10 -1.61 -2.88 0.00 0.00 179.24 175.44 2ki8 s GLU 132 N -3.19 -1.64 0.26 0.28 0.41 -1.26 -5.06 118.70 108.51 2ki8 s GLU 132 Ca 0.07 -0.14 0.04 0.00 -0.41 0.00 0.00 54.97 54.53 2ki8 s GLU 132 Cb 0.10 -1.55 -0.03 0.00 -1.78 0.00 0.00 34.13 30.86 2ki8 s GLU 132 CO 0.67 -3.97 0.40 -1.59 -0.49 0.00 0.00 175.26 170.28 2ki8 s LYS 133 N -5.44 3.45 0.20 1.61 -2.85 -1.26 -4.89 119.74 110.56 2ki8 s LYS 133 Ca 0.71 -0.67 -0.30 0.00 -1.00 0.00 0.00 55.97 54.72 2ki8 s LYS 133 Cb -0.09 -2.84 -0.08 0.00 -2.06 0.00 0.00 37.83 32.76 2ki8 s LYS 133 CO 0.56 0.37 1.15 0.08 0.10 0.00 0.00 175.35 177.61 2ki8 s VAL 134 N -2.04 3.66 0.34 1.79 1.01 -1.26 -4.78 120.40 119.12 2ki8 s VAL 134 Ca 0.35 1.45 -0.28 0.00 0.00 0.00 0.00 61.98 63.50 2ki8 s VAL 134 Cb -0.09 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 2ki8 s VAL 134 CO 0.30 0.26 1.29 -0.76 0.00 0.00 0.00 175.10 176.19 2ki8 s LEU 135 N -0.48 4.40 0.29 3.92 1.43 -1.03 -5.03 118.68 122.18 2ki8 s LEU 135 Ca 0.50 2.64 -0.15 0.00 -1.03 0.00 0.00 54.13 56.09 2ki8 s LEU 135 Cb -0.31 -3.69 -0.09 0.00 0.03 0.00 0.00 46.19 42.13 2ki8 s LEU 135 CO 0.37 -0.55 0.72 -0.44 0.23 0.00 0.00 176.35 176.68 2ki8 s SER 136 N -0.57 6.82 0.18 2.29 0.01 -1.26 -4.90 113.70 116.27 2ki8 s SER 136 Ca 0.50 1.28 -0.20 0.00 1.31 0.00 0.00 55.95 58.83 2ki8 s SER 136 Cb -0.39 -2.37 0.13 0.00 0.21 0.00 0.00 66.02 63.60 2ki8 s SER 136 CO 0.51 -0.14 1.60 0.58 0.41 0.00 0.00 173.24 176.19 2ki8 h VAL 137 N 2.13 0.22 -0.22 3.43 2.07 -1.97 0.22 116.25 122.13 2ki8 h VAL 137 Ca -0.48 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.84 2ki8 h VAL 137 Cb 1.18 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2ki8 h VAL 137 CO 0.66 0.00 -0.65 0.50 0.02 0.00 0.00 177.57 178.10 2ki8 h LYS 138 N -0.16 0.80 -0.75 1.57 3.64 -1.99 -2.55 116.57 117.13 2ki8 h LYS 138 Ca 0.23 -0.57 0.06 0.00 -1.27 0.00 0.00 60.65 59.10 2ki8 h LYS 138 Cb 0.53 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 2ki8 h LYS 138 CO -0.63 1.19 0.49 1.49 -2.27 0.00 0.00 179.45 179.72 2ki8 h GLU 139 N 0.58 0.79 -0.53 1.90 4.81 -1.64 0.12 114.58 120.61 2ki8 h GLU 139 Ca -0.02 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2ki8 h GLU 139 Cb 1.26 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 2ki8 h GLU 139 CO 0.14 0.52 0.26 1.25 -0.73 0.00 0.00 179.01 180.45 2ki8 h LEU 140 N 0.81 0.69 -0.56 1.64 6.46 -0.52 -2.14 115.31 121.70 2ki8 h LEU 140 Ca 0.32 -0.12 0.05 0.00 -0.12 0.00 0.00 57.88 58.00 2ki8 h LEU 140 Cb 0.21 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 39.92 2ki8 h LEU 140 CO -0.10 0.62 0.30 -0.07 -0.62 0.00 0.00 178.44 178.57 2ki8 h LEU 141 N 0.72 0.44 -0.93 2.25 3.38 -0.40 -0.82 115.31 119.95 2ki8 h LEU 141 Ca 0.18 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.20 2ki8 h LEU 141 Cb 0.11 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2ki8 h LEU 141 CO -0.02 0.30 0.61 -0.33 0.09 0.00 0.00 178.44 179.08 2ki8 h GLU 142 N 0.57 1.17 -0.13 1.13 5.08 -0.98 0.51 114.58 121.94 2ki8 h GLU 142 Ca 0.24 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2ki8 h GLU 142 Cb 0.13 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2ki8 h GLU 142 CO -0.16 0.78 0.02 0.00 -1.00 0.00 0.00 179.01 178.65 2ki8 h ALA 143 N 1.36 0.18 0.00 3.43 0.00 -0.66 -3.17 119.26 120.40 2ki8 h ALA 143 Ca 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2ki8 h ALA 143 Cb -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2ki8 h ALA 143 CO -0.10 -0.16 -0.07 -0.84 0.00 0.00 0.00 179.25 178.08 2ki8 h ILE 144 N -0.01 0.14 0.00 0.00 -0.00 -1.05 -3.47 117.51 113.12 2ki8 h ILE 144 Ca 0.04 -0.95 0.00 0.00 -0.00 0.00 0.00 64.86 63.95 2ki8 h ILE 144 Cb 0.31 1.84 0.00 0.00 -0.00 0.00 0.00 36.82 38.97 2ki8 h ILE 144 CO 0.00 0.07 0.00 0.61 -0.00 0.00 0.00 178.15 178.83 2ki8 n GLY 145 N 0.63 1.16 0.11 0.16 0.00 -0.45 -5.10 105.19 101.71 2ki8 n GLY 145 Ca 0.02 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.20 2ki8 n GLY 145 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76