#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 -0.29 -0.28 3.03 0.00 -1.26 -5.15 107.32 103.38 2ki8 s GLY 2 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2ki8 s GLY 2 CO 0.00 0.29 0.43 -0.45 0.00 0.00 0.00 173.10 173.37 2ki8 s SER 3 N -1.50 0.02 -1.18 1.64 0.15 -1.26 -5.09 113.70 106.49 2ki8 s SER 3 Ca -0.11 -0.02 -0.12 0.00 0.70 0.00 0.00 55.95 56.40 2ki8 s SER 3 Cb -0.03 1.28 0.21 0.00 -1.71 0.00 0.00 66.02 65.77 2ki8 s SER 3 CO 0.04 -0.32 1.35 -1.54 1.20 0.00 0.00 173.24 173.96 2ki8 n SER 4 N 5.37 5.34 -4.50 5.45 3.41 -1.26 -4.98 113.62 122.45 2ki8 n SER 4 Ca -0.01 -3.01 -0.43 0.00 -0.26 0.00 0.00 58.87 55.16 2ki8 n SER 4 Cb 0.50 -1.50 -0.04 0.00 -0.26 0.00 0.00 64.21 62.91 2ki8 n SER 4 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2ki8 s HIS 5 N 0.51 2.82 0.35 7.33 0.00 -1.26 -5.03 115.29 120.01 2ki8 s HIS 5 Ca 0.39 -0.16 0.07 0.00 -3.00 0.00 0.00 55.06 52.35 2ki8 s HIS 5 Cb -0.05 -4.01 -0.01 0.00 -4.00 0.00 0.00 32.58 24.51 2ki8 s HIS 5 CO -0.02 -1.33 0.41 -3.38 -1.00 0.00 0.00 174.74 169.42 2ki8 s HIS 6 N 3.75 2.99 -0.12 0.38 0.00 -1.26 -5.13 115.29 115.89 2ki8 s HIS 6 Ca 0.27 -0.28 -0.10 0.00 -3.00 0.00 0.00 55.06 51.95 2ki8 s HIS 6 Cb -0.14 -1.97 0.04 0.00 -4.00 0.00 0.00 32.58 26.50 2ki8 s HIS 6 CO 0.17 0.01 0.31 -3.38 -1.00 0.00 0.00 174.74 170.85 2ki8 s HIS 7 N -2.25 -0.37 -0.30 0.38 -0.00 -1.26 -5.14 115.29 106.34 2ki8 s HIS 7 Ca 0.45 0.88 -0.00 0.00 -0.00 0.00 0.00 55.06 56.39 2ki8 s HIS 7 Cb -0.08 0.12 0.09 0.00 -0.00 0.00 0.00 32.58 32.72 2ki8 s HIS 7 CO 0.29 -0.20 0.08 -3.38 -0.00 0.00 0.00 174.74 171.53 2ki8 s HIS 8 N 0.51 1.92 -0.08 0.38 0.00 -1.26 -5.10 115.29 111.66 2ki8 s HIS 8 Ca -0.03 -1.80 -0.09 0.00 -3.00 0.00 0.00 55.06 50.14 2ki8 s HIS 8 Cb -0.04 -1.78 0.02 0.00 -4.00 0.00 0.00 32.58 26.78 2ki8 s HIS 8 CO -0.03 -0.86 0.23 -1.01 -1.00 0.00 0.00 174.74 172.08 2ki8 s HIS 9 N 1.54 -0.24 -0.27 0.38 4.02 -1.26 -5.14 115.29 114.33 2ki8 s HIS 9 Ca 0.08 0.56 -0.00 0.00 1.02 0.00 0.00 55.06 56.72 2ki8 s HIS 9 Cb -0.18 0.08 0.14 0.00 -1.02 0.00 0.00 32.58 31.61 2ki8 s HIS 9 CO -0.21 -0.15 0.36 -1.58 1.02 0.00 0.00 174.74 174.18 2ki8 s HIS 10 N -0.06 -0.76 0.01 1.40 5.65 -1.26 -5.15 115.29 115.12 2ki8 s HIS 10 Ca -0.02 0.34 0.01 0.00 0.25 0.00 0.00 55.06 55.64 2ki8 s HIS 10 Cb -0.02 -0.20 -0.01 0.00 -1.18 0.00 0.00 32.58 31.17 2ki8 s HIS 10 CO 0.01 -0.86 -0.04 -1.54 -0.65 0.00 0.00 174.74 171.65 2ki8 s SER 11 N 2.48 0.46 -0.10 9.88 1.04 -1.26 -5.16 113.70 121.04 2ki8 s SER 11 Ca 0.10 -0.24 -0.22 0.00 0.48 0.00 0.00 55.95 56.07 2ki8 s SER 11 Cb -0.14 -0.00 0.05 0.00 0.10 0.00 0.00 66.02 66.03 2ki8 s SER 11 CO -0.25 -0.07 0.53 -0.44 0.98 0.00 0.00 173.24 173.99 2ki8 s SER 12 N -0.63 -0.50 0.57 7.02 0.01 -1.26 -5.18 113.70 113.72 2ki8 s SER 12 Ca -0.04 0.70 0.02 0.00 1.31 0.00 0.00 55.95 57.95 2ki8 s SER 12 Cb -0.05 0.71 0.05 0.00 0.21 0.00 0.00 66.02 66.95 2ki8 s SER 12 CO -0.00 -0.40 0.79 -0.83 0.41 0.00 0.00 173.24 173.21 2ki8 s GLY 13 N -0.64 1.82 -0.21 3.44 0.00 -1.26 -5.11 107.32 105.36 2ki8 s GLY 13 Ca -0.07 -1.50 -0.04 0.00 0.00 0.00 0.00 44.72 43.11 2ki8 s GLY 13 CO 0.05 -1.16 0.17 -1.60 0.00 0.00 0.00 173.10 170.56 2ki8 s ARG 14 N -4.78 0.15 -0.38 2.90 3.52 -1.26 -5.08 118.95 114.03 2ki8 s ARG 14 Ca 0.59 0.01 0.06 0.00 -0.13 0.00 0.00 55.73 56.26 2ki8 s ARG 14 Cb -0.09 -1.39 0.18 0.00 -1.56 0.00 0.00 34.95 32.10 2ki8 s ARG 14 CO 0.39 -0.72 0.65 -2.00 -0.81 0.00 0.00 175.30 172.81 2ki8 s GLU 15 N 2.24 0.72 -0.29 5.12 2.12 -1.26 -5.13 118.70 122.23 2ki8 s GLU 15 Ca 0.06 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.32 2ki8 s GLU 15 Cb -0.16 0.12 0.07 0.00 0.26 0.00 0.00 34.13 34.42 2ki8 s GLU 15 CO -0.15 -1.09 -0.05 1.21 -0.54 0.00 0.00 175.26 174.64 2ki8 s ASN 16 N 2.07 4.63 0.27 -1.70 3.04 -1.26 -5.12 114.94 116.86 2ki8 s ASN 16 Ca 0.15 -1.52 0.07 0.00 0.04 0.00 0.00 52.86 51.60 2ki8 s ASN 16 Cb -0.05 -1.61 -0.03 0.00 -1.54 0.00 0.00 41.25 38.02 2ki8 s ASN 16 CO -0.11 -0.25 0.21 -0.76 -3.04 0.00 0.00 177.10 173.15 2ki8 s LEU 17 N 1.10 3.77 0.84 3.21 2.01 -1.26 -5.13 118.68 123.22 2ki8 s LEU 17 Ca -0.04 -0.30 -0.12 0.00 0.01 0.00 0.00 54.13 53.68 2ki8 s LEU 17 Cb -0.20 -2.32 0.09 0.00 0.01 0.00 0.00 46.19 43.78 2ki8 s LEU 17 CO -0.05 -0.10 1.12 -0.72 1.01 0.00 0.00 176.35 177.62 2ki8 s TYR 18 N -2.17 2.76 -0.30 0.29 1.13 -1.26 -5.09 117.35 112.71 2ki8 s TYR 18 Ca 0.34 0.97 -0.08 0.00 -1.41 0.00 0.00 57.07 56.89 2ki8 s TYR 18 Cb -0.07 -3.27 0.17 0.00 -1.10 0.00 0.00 41.96 37.69 2ki8 s TYR 18 CO 0.25 -1.97 0.80 0.12 -2.51 0.00 0.00 175.55 172.25 2ki8 s PHE 19 N -3.27 -1.10 -0.09 -3.49 5.36 -1.26 -5.16 117.98 108.97 2ki8 s PHE 19 Ca 0.62 1.40 0.02 0.00 -0.96 0.00 0.00 56.93 58.01 2ki8 s PHE 19 Cb -0.14 0.47 0.01 0.00 -0.34 0.00 0.00 43.02 43.02 2ki8 s PHE 19 CO 0.53 -0.58 -0.16 -1.14 -1.46 0.00 0.00 175.22 172.41 2ki8 s GLN 20 N 2.81 2.19 -0.14 10.12 0.74 -1.26 -5.12 119.66 128.99 2ki8 s GLN 20 Ca 0.06 -0.57 -0.34 0.00 0.05 0.00 0.00 55.36 54.57 2ki8 s GLN 20 Cb -0.12 -1.77 0.13 0.00 1.10 0.00 0.00 33.01 32.35 2ki8 s GLN 20 CO -0.17 0.03 1.23 0.20 -0.55 0.00 0.00 175.29 176.03 2ki8 s GLY 21 N 0.70 -0.32 -0.31 2.59 0.00 -1.26 -5.15 107.32 103.57 2ki8 s GLY 21 Ca -0.13 1.35 0.05 0.00 0.00 0.00 0.00 44.72 45.99 2ki8 s GLY 21 CO 0.03 0.42 0.55 -1.58 0.00 0.00 0.00 173.10 172.51 2ki8 s HIS 22 N -2.41 -1.61 0.48 1.90 5.04 -1.26 -5.16 115.29 112.27 2ki8 s HIS 22 Ca 0.11 0.75 -0.15 0.00 -1.54 0.00 0.00 55.06 54.23 2ki8 s HIS 22 Cb 0.01 0.19 -0.07 0.00 0.04 0.00 0.00 32.58 32.74 2ki8 s HIS 22 CO -0.04 -1.07 0.92 0.00 -2.34 0.00 0.00 174.74 172.20 2ki8 s MET 23 N 2.60 3.89 -0.17 2.88 0.23 -1.26 -4.82 119.30 122.66 2ki8 s MET 23 Ca 0.11 0.81 -0.07 0.00 -1.03 0.00 0.00 55.69 55.50 2ki8 s MET 23 Cb -0.10 -2.21 -0.04 0.00 -1.53 0.00 0.00 34.83 30.95 2ki8 s MET 23 CO -0.24 -0.20 0.07 -0.51 -2.03 0.00 0.00 175.02 172.11 2ki8 s LEU 24 N -4.02 3.90 -0.54 0.18 1.43 -0.28 -4.90 118.68 114.46 2ki8 s LEU 24 Ca 0.57 0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 53.53 2ki8 s LEU 24 Cb -0.10 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.16 2ki8 s LEU 24 CO 0.32 0.21 1.30 -1.61 0.23 0.00 0.00 176.35 176.79 2ki8 s GLU 25 N 0.13 3.47 0.23 1.70 2.02 -1.26 -2.20 118.70 122.80 2ki8 s GLU 25 Ca 0.06 0.46 0.03 0.00 0.02 0.00 0.00 54.97 55.53 2ki8 s GLU 25 Cb -0.12 -4.04 -0.05 0.00 0.10 0.00 0.00 34.13 30.02 2ki8 s GLU 25 CO 0.00 -1.72 0.03 0.14 0.02 0.00 0.00 175.26 173.73 2ki8 s VAL 26 N 5.35 0.84 -0.24 2.63 -7.23 -0.11 -4.77 120.40 116.87 2ki8 s VAL 26 Ca 0.49 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.57 2ki8 s VAL 26 Cb -0.09 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 2ki8 s VAL 26 CO 0.27 -0.25 0.11 -0.70 -0.31 0.00 0.00 175.10 174.22 2ki8 s GLU 27 N -3.92 3.85 -0.36 4.82 2.12 -0.95 -0.30 118.70 123.95 2ki8 s GLU 27 Ca 0.31 -0.38 -0.18 0.00 0.36 0.00 0.00 54.97 55.07 2ki8 s GLU 27 Cb 0.07 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 31.06 2ki8 s GLU 27 CO 0.10 -0.04 0.52 0.08 -0.54 0.00 0.00 175.26 175.37 2ki8 s VAL 28 N 1.28 5.00 0.29 3.70 1.01 0.15 -0.68 120.40 131.15 2ki8 s VAL 28 Ca 0.06 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.35 2ki8 s VAL 28 Cb -0.14 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2ki8 s VAL 28 CO 0.05 -0.27 0.42 -0.63 0.00 0.00 0.00 175.10 174.67 2ki8 s ILE 29 N 2.41 4.89 -0.27 2.22 1.01 -0.33 0.76 121.20 131.89 2ki8 s ILE 29 Ca 0.19 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2ki8 s ILE 29 Cb -0.15 -3.73 0.08 0.00 0.01 0.00 0.00 42.46 38.66 2ki8 s ILE 29 CO 0.14 -0.32 0.02 -0.44 0.00 0.00 0.00 174.94 174.34 2ki8 s SER 30 N -4.05 3.92 -0.12 3.58 0.01 -1.22 -1.40 113.70 114.43 2ki8 s SER 30 Ca 0.38 -1.41 -0.03 0.00 1.31 0.00 0.00 55.95 56.21 2ki8 s SER 30 Cb -0.09 -1.08 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 2ki8 s SER 30 CO 0.31 -0.32 -0.02 -0.83 0.41 0.00 0.00 173.24 172.79 2ki8 s GLY 31 N 1.44 1.78 -0.67 3.44 0.00 -0.74 -4.55 107.32 108.01 2ki8 s GLY 31 Ca 0.02 -0.82 -0.26 0.00 0.00 0.00 0.00 44.72 43.66 2ki8 s GLY 31 CO -0.12 -0.34 2.16 -1.60 0.00 0.00 0.00 173.10 173.20 2ki8 s ARG 32 N -0.28 2.22 0.21 2.90 3.52 -1.26 -0.36 118.95 125.91 2ki8 s ARG 32 Ca 0.05 0.64 0.23 0.00 -0.13 0.00 0.00 55.73 56.52 2ki8 s ARG 32 Cb -0.12 -4.67 0.05 0.00 -1.56 0.00 0.00 34.95 28.64 2ki8 s ARG 32 CO 0.02 -3.41 1.10 1.79 -0.81 0.00 0.00 175.30 174.00 2ki8 h THR 33 N 7.38 0.00 -3.62 4.11 1.35 -1.90 -3.44 112.91 116.79 2ki8 h THR 33 Ca -0.13 -0.96 -0.68 0.00 -0.55 0.00 0.00 66.41 64.09 2ki8 h THR 33 Cb 1.13 1.49 -0.29 0.00 -1.73 0.00 0.00 68.15 68.75 2ki8 h THR 33 CO 1.15 0.00 -0.66 -0.76 -0.25 0.00 0.00 175.52 175.00 2ki8 s LEU 34 N -5.33 3.80 0.29 3.87 1.43 -1.26 -4.99 118.68 116.49 2ki8 s LEU 34 Ca 0.00 -0.92 0.16 0.00 -1.03 0.00 0.00 54.13 52.35 2ki8 s LEU 34 Cb 0.10 -1.80 0.09 0.00 0.03 0.00 0.00 46.19 44.61 2ki8 s LEU 34 CO 0.78 -0.21 1.45 0.78 0.23 0.00 0.00 176.35 179.37 2ki8 h ASN 35 N 8.15 0.00 -2.82 2.29 2.35 -2.01 -3.44 115.58 120.10 2ki8 h ASN 35 Ca -0.29 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 54.90 2ki8 h ASN 35 Cb 1.10 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.44 2ki8 h ASN 35 CO 0.59 0.44 1.11 -1.10 -1.65 0.00 0.00 177.43 176.81 2ki8 s GLN 36 N -2.99 3.81 -1.16 0.81 -1.52 -1.26 -4.91 119.66 112.44 2ki8 s GLN 36 Ca 0.04 1.60 -0.18 0.00 -1.95 0.00 0.00 55.36 54.87 2ki8 s GLN 36 Cb 0.07 -4.01 -0.04 0.00 -0.22 0.00 0.00 33.01 28.81 2ki8 s GLN 36 CO 0.74 -1.27 2.04 0.41 -0.25 0.00 0.00 175.29 176.95 2ki8 n GLY 37 N 4.61 3.23 3.76 3.09 0.00 -1.26 -4.90 105.19 113.72 2ki8 n GLY 37 Ca 0.18 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 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 4.67 3.74 0.56 4.61 0.00 -1.26 -5.15 121.76 128.94 2ki8 s ALA 38 Ca 0.54 -1.79 -0.06 0.00 0.00 0.00 0.00 51.96 50.65 2ki8 s ALA 38 Cb 0.12 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 2ki8 s ALA 38 CO 0.03 -0.19 0.88 0.95 0.00 0.00 0.00 175.76 177.43 2ki8 s THR 39 N -2.67 4.00 0.29 0.00 -4.23 -1.26 -4.97 115.64 106.81 2ki8 s THR 39 Ca 0.35 0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 60.94 2ki8 s THR 39 Cb 0.03 -3.57 0.27 0.00 1.34 0.00 0.00 72.50 70.57 2ki8 s THR 39 CO 0.20 -0.59 1.94 0.58 -0.54 0.00 0.00 174.62 176.21 2ki8 h VAL 40 N -0.08 1.15 -0.62 2.29 2.07 -2.01 -2.07 116.25 116.98 2ki8 h VAL 40 Ca -0.46 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 66.71 2ki8 h VAL 40 Cb 1.24 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2ki8 h VAL 40 CO 0.61 0.20 0.38 -0.08 0.02 0.00 0.00 177.57 178.71 2ki8 h GLU 41 N 1.11 0.74 -0.25 1.57 4.81 -2.00 -1.73 114.58 118.82 2ki8 h GLU 41 Ca 0.35 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2ki8 h GLU 41 Cb 0.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2ki8 h GLU 41 CO -0.10 0.49 0.15 1.49 -0.73 0.00 0.00 179.01 180.31 2ki8 h GLU 42 N 0.76 0.34 -0.44 1.92 4.57 -1.77 -3.05 114.58 116.92 2ki8 h GLU 42 Ca 0.25 -0.02 -0.25 0.00 -1.18 0.00 0.00 59.36 58.15 2ki8 h GLU 42 Cb 0.01 -0.07 -0.15 0.00 -0.16 0.00 0.00 28.75 28.37 2ki8 h GLU 42 CO -0.10 0.24 -0.09 1.63 -1.18 0.00 0.00 179.01 179.52 2ki8 n LYS 43 N -4.48 2.04 -1.78 1.92 5.02 -0.79 -4.94 118.16 115.15 2ki8 n LYS 43 Ca 0.01 -3.29 -0.19 0.00 -2.02 0.00 0.00 58.31 52.81 2ki8 n LYS 43 Cb 0.08 -1.89 -0.08 0.00 -0.02 0.00 0.00 35.03 33.12 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 -3.32 2.75 0.00 -0.35 1.43 -0.72 -4.08 118.68 114.38 2ki8 s LEU 44 Ca 0.47 -0.88 -0.22 0.00 -1.03 0.00 0.00 54.13 52.46 2ki8 s LEU 44 Cb 0.42 -2.58 0.08 0.00 0.03 0.00 0.00 46.19 44.13 2ki8 s LEU 44 CO 0.00 -3.88 1.03 1.07 0.23 0.00 0.00 176.35 174.80 2ki8 n THR 45 N 8.52 0.00 0.22 5.49 5.66 -1.26 -5.02 114.28 127.89 2ki8 n THR 45 Ca 0.43 -0.43 0.15 0.00 -3.05 0.00 0.00 64.05 61.15 2ki8 n THR 45 Cb 0.46 0.68 0.81 0.00 -1.55 0.00 0.00 70.33 70.73 2ki8 n THR 45 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2ki8 h GLU 46 N 0.00 0.00 -0.94 1.09 3.07 -2.01 -1.96 114.58 113.83 2ki8 h GLU 46 Ca -0.24 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.74 2ki8 h GLU 46 Cb 1.12 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.94 2ki8 h GLU 46 CO 0.33 0.00 0.57 1.49 -1.40 0.00 0.00 179.01 180.00 2ki8 h GLU 47 N 0.00 0.86 0.00 2.33 4.81 -1.95 -0.02 114.58 120.60 2ki8 h GLU 47 Ca 0.06 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2ki8 h GLU 47 Cb 0.31 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2ki8 h GLU 47 CO -0.00 0.57 -0.24 -0.92 -0.73 0.00 0.00 179.01 177.68 2ki8 h TYR 48 N 0.88 0.00 0.02 0.92 3.20 -1.50 -3.21 116.97 117.27 2ki8 h TYR 48 Ca 0.48 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.35 2ki8 h TYR 48 Cb 0.51 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2ki8 h TYR 48 CO -0.03 0.24 -0.01 0.35 -1.64 0.00 0.00 178.16 177.08 2ki8 h PHE 49 N 0.00 -0.02 0.00 -3.82 3.04 -1.04 -3.24 116.94 111.86 2ki8 h PHE 49 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2ki8 h PHE 49 Cb 0.99 0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.51 2ki8 h PHE 49 CO 0.00 -0.01 0.00 0.09 -2.02 0.00 0.00 178.31 176.37 2ki8 n ASN 50 N -2.20 0.00 -0.04 0.41 3.02 -0.71 -1.93 115.26 113.81 2ki8 n ASN 50 Ca -0.00 0.38 -0.14 0.00 -0.03 0.00 0.00 54.58 54.79 2ki8 n ASN 50 Cb 0.01 -0.41 -0.14 0.00 -0.61 0.00 0.00 39.78 38.63 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 -1.41 1.30 -0.60 5.41 0.00 -1.21 -4.68 120.51 119.32 2ki8 n ALA 51 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2ki8 n ALA 51 Cb 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 -3.16 0.31 -0.03 0.00 0.24 -1.06 -4.71 118.33 109.91 2ki8 n VAL 52 Ca -0.28 -0.36 0.03 0.00 -2.04 0.00 0.00 64.34 61.70 2ki8 n VAL 52 Cb 1.06 0.99 0.21 0.00 -1.47 0.00 0.00 33.84 34.63 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 -0.15 3.55 -4.01 -1.34 5.03 -0.81 -4.74 115.26 112.79 2ki8 n ASN 53 Ca 0.00 -2.52 -0.08 0.00 0.87 0.00 0.00 54.58 52.84 2ki8 n ASN 53 Cb 0.34 -0.61 -0.11 0.00 -1.02 0.00 0.00 39.78 38.39 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 -1.94 0.33 -0.06 3.10 1.13 -1.26 -1.47 117.35 117.18 2ki8 s TYR 54 Ca 0.30 -0.67 0.06 0.00 -1.41 0.00 0.00 57.07 55.34 2ki8 s TYR 54 Cb 0.23 -0.24 -0.01 0.00 -1.10 0.00 0.00 41.96 40.83 2ki8 s TYR 54 CO 0.08 -0.24 -0.24 0.00 -2.51 0.00 0.00 175.55 172.64 2ki8 s ALA 55 N -2.14 2.21 -0.34 9.51 0.00 -0.12 -4.29 121.76 126.59 2ki8 s ALA 55 Ca -0.10 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 50.67 2ki8 s ALA 55 Cb -0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 2ki8 s ALA 55 CO -0.03 0.42 0.35 -1.21 0.00 0.00 0.00 175.76 175.29 2ki8 s GLU 56 N -0.20 3.54 0.20 0.00 2.02 0.07 -0.84 118.70 123.48 2ki8 s GLU 56 Ca -0.02 -0.46 0.07 0.00 0.02 0.00 0.00 54.97 54.58 2ki8 s GLU 56 Cb -0.13 -3.81 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 2ki8 s GLU 56 CO 0.03 -0.53 0.07 0.42 0.02 0.00 0.00 175.26 175.27 2ki8 s ILE 57 N 1.99 3.98 0.66 -1.63 1.09 0.59 -1.74 121.20 126.13 2ki8 s ILE 57 Ca 0.11 -1.43 -0.17 0.00 -1.10 0.00 0.00 60.65 58.06 2ki8 s ILE 57 Cb -0.17 -3.06 -0.00 0.00 -1.06 0.00 0.00 42.46 38.17 2ki8 s ILE 57 CO 0.12 -0.21 1.22 0.20 -0.10 0.00 0.00 174.94 176.17 2ki8 s ASN 58 N -3.29 4.72 0.15 3.58 -0.87 -1.26 -1.07 114.94 116.90 2ki8 s ASN 58 Ca 0.30 2.40 -0.12 0.00 -1.57 0.00 0.00 52.86 53.87 2ki8 s ASN 58 Cb -0.09 -2.60 0.01 0.00 -0.02 0.00 0.00 41.25 38.56 2ki8 s ASN 58 CO 0.21 -1.91 1.57 -0.08 -2.57 0.00 0.00 177.10 174.32 2ki8 h GLU 59 N 0.35 0.91 -0.03 -0.60 4.81 -1.90 0.48 114.58 118.60 2ki8 h GLU 59 Ca -0.49 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.40 2ki8 h GLU 59 Cb 1.30 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 2ki8 h GLU 59 CO 0.53 0.99 0.01 0.93 -0.73 0.00 0.00 179.01 180.74 2ki8 h GLU 60 N 0.77 0.05 -0.06 1.92 5.08 -1.98 -2.38 114.58 117.98 2ki8 h GLU 60 Ca 0.13 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 2ki8 h GLU 60 Cb 0.64 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2ki8 h GLU 60 CO 0.04 0.23 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.58 2ki8 h ASP 61 N -0.13 0.11 0.06 1.42 3.32 -1.93 0.05 116.42 119.31 2ki8 h ASP 61 Ca 0.01 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.06 2ki8 h ASP 61 Cb 0.20 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2ki8 h ASP 61 CO -0.00 0.38 -0.27 -0.25 -1.72 0.00 0.00 179.24 177.37 2ki8 h TRP 62 N 0.10 -0.74 0.00 4.55 2.91 0.18 -0.54 115.95 122.40 2ki8 h TRP 62 Ca 0.02 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 59.95 2ki8 h TRP 62 Cb 0.53 0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 29.48 2ki8 h TRP 62 CO 0.00 -0.37 -0.52 -0.91 -1.03 0.00 0.00 178.44 175.61 2ki8 h ASN 63 N -0.45 0.00 -0.95 2.65 2.35 -1.25 -0.66 115.58 117.27 2ki8 h ASN 63 Ca 0.05 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2ki8 h ASN 63 Cb 0.51 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.83 2ki8 h ASN 63 CO -0.20 0.52 0.63 0.00 -1.65 0.00 0.00 177.43 176.73 2ki8 h ALA 64 N 1.48 1.34 0.00 -0.83 0.00 -0.45 -1.92 119.26 118.87 2ki8 h ALA 64 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ki8 h ALA 64 Cb 0.93 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2ki8 h ALA 64 CO 0.07 0.61 -0.57 1.28 0.00 0.00 0.00 179.25 180.64 2ki8 n LEU 65 N -4.40 0.61 -2.20 0.00 4.77 -0.26 -4.98 117.00 110.53 2ki8 n LEU 65 Ca 0.11 0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 56.17 2ki8 n LEU 65 Cb 0.03 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2ki8 n LEU 65 CO 0.36 0.00 0.07 0.61 -1.33 0.00 0.00 177.39 177.10 2ki8 n GLY 66 N 1.39 0.06 3.89 -0.72 0.00 -0.60 -4.82 105.19 104.39 2ki8 n GLY 66 Ca 0.04 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.21 3.59 -0.04 0.99 1.43 -0.36 -5.02 118.68 115.06 2ki8 s LEU 67 Ca 0.05 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 2ki8 s LEU 67 Cb -0.02 -4.05 0.02 0.00 0.03 0.00 0.00 46.19 42.17 2ki8 s LEU 67 CO 0.37 -0.60 -0.04 -1.58 0.23 0.00 0.00 176.35 174.73 2ki8 s GLN 68 N -4.63 0.72 -0.80 1.70 0.74 -1.26 -4.85 119.66 111.28 2ki8 s GLN 68 Ca 0.50 -0.07 -0.24 0.00 0.05 0.00 0.00 55.36 55.60 2ki8 s GLN 68 Cb -0.10 -0.75 -0.16 0.00 1.10 0.00 0.00 33.01 33.09 2ki8 s GLN 68 CO 0.44 -0.08 2.39 0.39 -0.55 0.00 0.00 175.29 177.87 2ki8 n GLU 69 N 4.03 0.51 0.00 1.67 1.02 -1.26 -0.98 120.64 125.63 2ki8 n GLU 69 Ca -0.26 -0.74 0.00 0.00 -0.02 0.00 0.00 57.16 56.15 2ki8 n GLU 69 Cb 0.51 -3.41 0.00 0.00 -0.02 0.00 0.00 31.44 28.52 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 6.65 0.09 2.23 0.62 0.00 -1.20 -5.08 105.19 108.51 2ki8 n GLY 70 Ca 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.37 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 0.68 -4.63 1.61 5.68 -0.15 -4.81 116.55 114.93 2ki8 n ASP 71 Ca 0.00 -1.60 -0.35 0.00 -0.50 0.00 0.00 54.79 52.34 2ki8 n ASP 71 Cb 0.00 -0.40 -0.10 0.00 -1.14 0.00 0.00 41.12 39.48 2ki8 n ASP 71 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2ki8 s ARG 72 N -4.05 3.53 0.03 0.11 3.00 -1.26 -1.04 118.95 119.28 2ki8 s ARG 72 Ca 0.39 -0.40 0.06 0.00 0.00 0.00 0.00 55.73 55.78 2ki8 s ARG 72 Cb -0.02 -2.99 -0.02 0.00 0.00 0.00 0.00 34.95 31.92 2ki8 s ARG 72 CO 0.26 0.44 -0.19 0.14 0.00 0.00 0.00 175.30 175.95 2ki8 s VAL 73 N -0.13 1.49 0.10 3.52 -7.23 -0.26 -1.38 120.40 116.50 2ki8 s VAL 73 Ca 0.05 -1.08 0.03 0.00 -1.81 0.00 0.00 61.98 59.17 2ki8 s VAL 73 Cb -0.12 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 2ki8 s VAL 73 CO 0.02 0.18 0.10 -0.75 -0.31 0.00 0.00 175.10 174.34 2ki8 s LYS 74 N -1.06 2.91 -0.02 4.82 2.20 0.21 -0.71 119.74 128.08 2ki8 s LYS 74 Ca 0.06 -0.72 0.03 0.00 -0.36 0.00 0.00 55.97 54.98 2ki8 s LYS 74 Cb -0.08 -2.72 -0.00 0.00 -1.51 0.00 0.00 37.83 33.51 2ki8 s LYS 74 CO 0.01 0.55 -0.12 0.08 -0.36 0.00 0.00 175.35 175.52 2ki8 s VAL 75 N -1.47 0.97 -0.02 4.02 1.01 0.13 -2.13 120.40 122.90 2ki8 s VAL 75 Ca 0.30 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2ki8 s VAL 75 Cb -0.12 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.45 2ki8 s VAL 75 CO 0.22 0.29 -0.01 -0.54 0.00 0.00 0.00 175.10 175.07 2ki8 s LYS 76 N -0.01 0.28 0.07 2.72 1.02 -0.20 -1.70 119.74 121.91 2ki8 s LYS 76 Ca -0.00 0.03 0.01 0.00 0.02 0.00 0.00 55.97 56.03 2ki8 s LYS 76 Cb -0.08 -0.41 -0.00 0.00 -0.52 0.00 0.00 37.83 36.81 2ki8 s LYS 76 CO 0.00 -0.09 0.04 0.25 -0.92 0.00 0.00 175.35 174.64 2ki8 n THR 77 N 3.86 0.00 0.85 2.17 -2.24 -0.33 -0.43 114.28 118.15 2ki8 n THR 77 Ca -0.24 -0.44 0.11 0.00 -2.27 0.00 0.00 64.05 61.21 2ki8 n THR 77 Cb 0.52 0.19 0.50 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.14 0.08 -0.01 -0.78 0.28 -1.26 -3.37 120.64 115.45 2ki8 n GLU 78 Ca 0.00 0.10 -0.19 0.00 -0.16 0.00 0.00 57.16 56.92 2ki8 n GLU 78 Cb 0.11 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.34 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 -1.45 1.10 0.00 -1.84 3.72 -1.26 -5.10 117.46 112.63 2ki8 n PHE 79 Ca 0.07 0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 2ki8 n PHE 79 Cb 0.24 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.63 2ki8 n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ki8 n GLY 80 N 1.96 -0.66 3.34 1.37 0.00 -0.89 -4.87 105.19 105.43 2ki8 n GLY 80 Ca -0.31 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.07 1.02 -0.02 1.61 -1.05 -1.02 -1.19 118.70 116.97 2ki8 s GLU 81 Ca 0.00 -0.45 -0.21 0.00 -0.15 0.00 0.00 54.97 54.16 2ki8 s GLU 81 Cb 0.00 0.46 0.04 0.00 -0.44 0.00 0.00 34.13 34.19 2ki8 s GLU 81 CO 0.00 -0.38 0.45 0.54 0.95 0.00 0.00 175.26 176.82 2ki8 s VAL 82 N -2.97 0.04 -0.25 1.83 0.11 -0.69 -4.82 120.40 113.64 2ki8 s VAL 82 Ca -0.02 -0.31 -0.05 0.00 -2.93 0.00 0.00 61.98 58.67 2ki8 s VAL 82 Cb 0.00 -0.77 -0.00 0.00 -1.53 0.00 0.00 36.38 34.08 2ki8 s VAL 82 CO -0.06 -0.17 0.00 -0.69 -3.33 0.00 0.00 175.10 170.86 2ki8 s VAL 83 N -1.36 3.60 0.45 2.04 1.01 -1.26 -0.70 120.40 124.18 2ki8 s VAL 83 Ca -0.12 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2ki8 s VAL 83 Cb -0.03 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 2ki8 s VAL 83 CO 0.06 0.29 0.06 0.68 0.00 0.00 0.00 175.10 176.19 2ki8 s VAL 84 N 1.48 0.97 0.34 2.92 -7.23 0.11 -2.30 120.40 116.69 2ki8 s VAL 84 Ca 0.04 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.96 2ki8 s VAL 84 Cb -0.15 -2.33 -0.10 0.00 0.56 0.00 0.00 36.38 34.36 2ki8 s VAL 84 CO -0.01 0.00 0.95 -0.36 -0.31 0.00 0.00 175.10 175.37 2ki8 s PHE 85 N -3.03 3.64 -0.20 2.82 0.08 -0.54 -1.11 117.98 119.64 2ki8 s PHE 85 Ca 0.17 1.76 -0.20 0.00 0.12 0.00 0.00 56.93 58.79 2ki8 s PHE 85 Cb 0.03 -2.93 -0.03 0.00 -0.57 0.00 0.00 43.02 39.52 2ki8 s PHE 85 CO 0.10 0.14 0.58 0.00 -0.10 0.00 0.00 175.22 175.94 2ki8 s ALA 86 N -1.66 3.55 0.11 5.36 0.00 -0.20 -0.95 121.76 127.96 2ki8 s ALA 86 Ca 0.51 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.17 2ki8 s ALA 86 Cb -0.18 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2ki8 s ALA 86 CO 0.23 -0.53 -0.10 0.15 0.00 0.00 0.00 175.76 175.52 2ki8 s LYS 87 N 1.84 0.88 -0.19 0.00 1.02 -0.02 -3.27 119.74 119.98 2ki8 s LYS 87 Ca 0.27 -1.23 -0.12 0.00 0.02 0.00 0.00 55.97 54.91 2ki8 s LYS 87 Cb -0.16 -0.50 -0.05 0.00 -0.52 0.00 0.00 37.83 36.61 2ki8 s LYS 87 CO 0.10 0.07 0.22 0.21 -0.92 0.00 0.00 175.35 175.02 2ki8 s LYS 88 N -3.09 4.19 0.13 1.68 2.20 -1.26 -0.30 119.74 123.29 2ki8 s LYS 88 Ca 0.08 -0.08 0.06 0.00 -0.36 0.00 0.00 55.97 55.68 2ki8 s LYS 88 Cb -0.01 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 2ki8 s LYS 88 CO -0.01 0.20 -0.15 0.20 -0.36 0.00 0.00 175.35 175.24 2ki8 s GLY 89 N 0.59 1.15 0.00 5.54 0.00 -0.23 -4.78 107.32 109.58 2ki8 s GLY 89 Ca 0.12 -1.33 -0.04 0.00 0.00 0.00 0.00 44.72 43.47 2ki8 s GLY 89 CO 0.02 -1.38 3.01 1.22 0.00 0.00 0.00 173.10 175.97 2ki8 n ASP 90 N 0.51 5.10 -4.95 1.64 8.00 -1.26 -4.28 116.55 121.31 2ki8 n ASP 90 Ca -0.15 -2.42 -0.23 0.00 0.71 0.00 0.00 54.79 52.70 2ki8 n ASP 90 Cb 0.57 -1.28 -0.01 0.00 -0.02 0.00 0.00 41.12 40.37 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 0.74 5.14 0.26 2.53 -7.23 -1.26 -5.06 120.40 115.52 2ki8 s VAL 91 Ca 0.44 -0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 59.74 2ki8 s VAL 91 Cb 0.21 -3.86 -0.11 0.00 0.56 0.00 0.00 36.38 33.18 2ki8 s VAL 91 CO 0.00 -0.50 1.56 -2.84 -0.31 0.00 0.00 175.10 173.01 2ki8 s PRO 92 N -4.21 4.17 0.23 4.82 0.02 -1.26 -4.73 135.00 134.03 2ki8 s PRO 92 Ca 0.39 2.49 -0.32 0.00 0.02 0.00 0.00 61.00 63.58 2ki8 s PRO 92 Cb -0.09 -3.06 -0.14 0.00 0.02 0.00 0.00 34.50 31.23 2ki8 s PRO 92 CO 0.34 -0.58 1.38 1.17 -0.33 0.00 0.00 177.00 178.98 2ki8 n LYS 93 N 2.52 1.90 -1.87 5.54 4.81 -1.26 -1.34 118.16 128.47 2ki8 n LYS 93 Ca 0.09 0.68 -0.04 0.00 -0.87 0.00 0.00 58.31 58.17 2ki8 n LYS 93 Cb 0.38 -2.32 -0.00 0.00 0.02 0.00 0.00 35.03 33.11 2ki8 n LYS 93 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ki8 n GLY 94 N 2.18 0.31 3.37 3.14 0.00 -1.26 -5.04 105.19 107.88 2ki8 n GLY 94 Ca 0.12 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.79 0.51 0.03 1.61 0.00 -0.45 -2.24 119.30 114.98 2ki8 s MET 95 Ca 0.00 0.78 0.06 0.00 0.00 0.00 0.00 55.69 56.52 2ki8 s MET 95 Cb 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 34.83 34.95 2ki8 s MET 95 CO 0.00 -0.11 -0.16 0.96 0.00 0.00 0.00 175.02 175.71 2ki8 s ILE 96 N 0.85 1.30 -0.26 10.11 -4.36 0.15 -4.43 121.20 124.56 2ki8 s ILE 96 Ca -0.05 -0.99 -0.08 0.00 -0.26 0.00 0.00 60.65 59.28 2ki8 s ILE 96 Cb -0.05 -1.14 -0.03 0.00 1.25 0.00 0.00 42.46 42.49 2ki8 s ILE 96 CO -0.07 0.14 0.09 0.12 0.24 0.00 0.00 174.94 175.46 2ki8 s PHE 97 N -0.73 3.11 -0.12 1.37 5.36 -0.71 -1.19 117.98 125.07 2ki8 s PHE 97 Ca 0.04 -0.38 0.02 0.00 -0.96 0.00 0.00 56.93 55.65 2ki8 s PHE 97 Cb -0.08 -2.27 -0.00 0.00 -0.34 0.00 0.00 43.02 40.33 2ki8 s PHE 97 CO 0.01 -0.35 -0.19 0.42 -1.46 0.00 0.00 175.22 173.66 2ki8 s ILE 98 N 1.63 2.50 0.41 3.12 1.01 -0.50 -0.75 121.20 128.63 2ki8 s ILE 98 Ca 0.06 -0.85 -0.26 0.00 0.00 0.00 0.00 60.65 59.60 2ki8 s ILE 98 Cb -0.15 -2.01 -0.10 0.00 0.01 0.00 0.00 42.46 40.20 2ki8 s ILE 98 CO 0.05 0.54 1.35 -2.65 0.00 0.00 0.00 174.94 174.23 2ki8 n PRO 99 N 3.64 2.16 -1.53 2.79 -0.02 -1.26 -1.80 135.00 138.98 2ki8 n PRO 99 Ca -0.19 0.77 -0.40 0.00 -2.02 0.00 0.00 63.50 61.66 2ki8 n PRO 99 Cb 0.53 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.12 0.96 -3.83 -0.52 0.00 0.52 -4.62 117.12 109.76 2ki8 n MET 100 Ca 0.05 0.09 -0.09 0.00 -0.00 0.00 0.00 57.70 57.75 2ki8 n MET 100 Cb 0.39 -2.96 0.02 0.00 0.00 0.00 0.00 33.22 30.68 2ki8 n MET 100 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2ki8 s GLY 101 N 10.65 0.51 0.51 -5.12 0.00 -1.26 -4.84 107.32 107.77 2ki8 s GLY 101 Ca 1.07 -0.86 0.24 0.00 0.00 0.00 0.00 44.72 45.17 2ki8 s GLY 101 CO 0.34 -0.39 2.08 -0.56 0.00 0.00 0.00 173.10 174.57 2ki8 h PRO 102 N 2.01 0.00 -0.09 2.90 0.13 -1.92 0.97 132.00 135.99 2ki8 h PRO 102 Ca -0.33 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2ki8 h PRO 102 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ki8 h PRO 102 CO 0.42 0.11 0.05 1.88 -0.23 0.00 0.00 178.00 180.24 2ki8 h TYR 103 N 0.00 0.13 -0.26 1.56 -1.99 -1.91 -2.13 116.97 112.37 2ki8 h TYR 103 Ca -0.00 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 2ki8 h TYR 103 Cb 0.26 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 2ki8 h TYR 103 CO 0.00 0.15 -0.03 0.00 -0.00 0.00 0.00 178.16 178.29 2ki8 h ALA 104 N 0.96 1.48 0.00 3.88 0.00 -1.41 -2.65 119.26 121.52 2ki8 h ALA 104 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ki8 h ALA 104 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2ki8 h ALA 104 CO -0.01 0.37 0.00 0.09 0.00 0.00 0.00 179.25 179.71 2ki8 n ASN 105 N -4.31 0.34 0.06 0.00 5.03 0.19 0.12 115.26 116.69 2ki8 n ASN 105 Ca 0.01 0.63 0.12 0.00 0.87 0.00 0.00 54.58 56.21 2ki8 n ASN 105 Cb 0.23 -0.68 0.14 0.00 -1.02 0.00 0.00 39.78 38.45 2ki8 n ASN 105 CO 0.00 0.00 0.00 0.24 -1.83 0.00 0.00 177.26 175.67 2ki8 h MET 106 N 0.00 0.00 0.00 3.52 2.86 -1.28 -3.40 114.93 116.63 2ki8 h MET 106 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2ki8 h MET 106 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2ki8 h MET 106 CO 0.00 0.00 -0.27 1.33 1.06 0.00 0.00 176.91 179.03 2ki8 n VAL 107 N -2.10 0.00 -3.40 -2.22 0.24 -0.04 -2.10 118.33 108.71 2ki8 n VAL 107 Ca 0.03 -0.15 -0.22 0.00 -2.04 0.00 0.00 64.34 61.96 2ki8 n VAL 107 Cb 0.44 0.66 0.03 0.00 -1.47 0.00 0.00 33.84 33.50 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 -0.83 1.97 -0.42 1.34 -4.36 0.12 -4.59 121.20 114.43 2ki8 s ILE 108 Ca 0.00 -1.21 -0.21 0.00 -0.26 0.00 0.00 60.65 58.97 2ki8 s ILE 108 Cb 0.00 -2.18 0.02 0.00 1.25 0.00 0.00 42.46 41.54 2ki8 s ILE 108 CO 0.00 0.00 0.66 -0.62 0.24 0.00 0.00 174.94 175.22 2ki8 s ASP 109 N -4.49 6.36 0.00 4.36 -1.08 -1.26 -4.85 116.67 115.71 2ki8 s ASP 109 Ca 0.50 -0.19 0.13 0.00 -0.52 0.00 0.00 52.55 52.47 2ki8 s ASP 109 Cb -0.04 -2.33 0.54 0.00 -1.46 0.00 0.00 42.92 39.63 2ki8 s ASP 109 CO 0.31 -0.75 1.38 -0.81 0.52 0.00 0.00 175.17 175.82 2ki8 n PRO 110 N 6.27 1.44 -0.01 4.34 -0.04 -1.26 -3.95 135.00 141.79 2ki8 n PRO 110 Ca -0.01 -0.67 0.11 0.00 -0.04 0.00 0.00 63.50 62.89 2ki8 n PRO 110 Cb 0.48 -1.25 -0.17 0.00 -0.04 0.00 0.00 33.50 32.52 2ki8 n PRO 110 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ki8 n SER 111 N -0.03 0.07 -4.74 3.54 2.88 -1.26 -4.98 113.62 109.09 2ki8 n SER 111 Ca 0.11 -0.02 -0.37 0.00 -1.33 0.00 0.00 58.87 57.26 2ki8 n SER 111 Cb 0.19 1.97 0.06 0.00 -0.75 0.00 0.00 64.21 65.68 2ki8 n SER 111 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ki8 s THR 112 N -3.50 2.14 -0.21 2.46 -1.32 -1.25 -4.96 115.64 109.01 2ki8 s THR 112 Ca -0.08 0.09 0.14 0.00 -1.21 0.00 0.00 61.69 60.64 2ki8 s THR 112 Cb 0.14 -3.04 0.46 0.00 -1.51 0.00 0.00 72.50 68.54 2ki8 s THR 112 CO 0.90 -0.01 1.35 0.47 -2.21 0.00 0.00 174.62 175.12 2ki8 n ASP 113 N -1.61 2.81 -4.54 8.08 9.92 -1.26 -4.97 116.55 124.98 2ki8 n ASP 113 Ca 0.14 -3.40 -0.26 0.00 -0.53 0.00 0.00 54.79 50.74 2ki8 n ASP 113 Cb 0.47 -0.55 -0.07 0.00 -0.64 0.00 0.00 41.12 40.33 2ki8 n ASP 113 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ki8 n GLY 114 N -1.00 0.73 1.70 0.44 0.00 -1.26 -4.66 105.19 101.13 2ki8 n GLY 114 Ca 0.24 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.82 2ki8 n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ki8 n THR 115 N 8.04 2.07 0.00 2.61 -2.24 -1.26 -4.94 114.28 118.56 2ki8 n THR 115 Ca 0.44 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2ki8 n THR 115 Cb 0.46 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 1.05 -0.53 3.93 3.38 0.00 -1.26 -5.03 105.19 106.73 2ki8 n GLY 116 Ca 0.27 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 3.38 -0.11 1.61 -1.94 -1.26 -5.04 119.30 115.95 2ki8 s MET 117 Ca 0.00 -0.64 -0.32 0.00 -1.71 0.00 0.00 55.69 53.02 2ki8 s MET 117 Cb 0.00 -2.93 -0.10 0.00 2.01 0.00 0.00 34.83 33.81 2ki8 s MET 117 CO 0.00 0.51 2.00 -0.35 -0.01 0.00 0.00 175.02 177.17 2ki8 n PRO 118 N -0.58 2.19 -3.87 2.03 -0.04 -1.26 -4.98 135.00 128.49 2ki8 n PRO 118 Ca -0.07 0.76 -0.18 0.00 -0.04 0.00 0.00 63.50 63.96 2ki8 n PRO 118 Cb 0.54 -2.82 -0.17 0.00 -0.04 0.00 0.00 33.50 31.02 2ki8 n PRO 118 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2ki8 s GLN 119 N 4.82 0.30 -1.19 0.54 -0.21 -1.26 -5.08 119.66 117.57 2ki8 s GLN 119 Ca 0.95 0.12 -0.21 0.00 0.02 0.00 0.00 55.36 56.25 2ki8 s GLN 119 Cb -0.59 -0.57 0.01 0.00 1.00 0.00 0.00 33.01 32.86 2ki8 s GLN 119 CO 0.46 -0.19 1.78 -0.06 -2.12 0.00 0.00 175.29 175.17 2ki8 s PHE 120 N 1.33 2.40 -0.09 0.91 0.08 -1.26 -4.87 117.98 116.48 2ki8 s PHE 120 Ca -0.05 -0.66 -0.20 0.00 0.12 0.00 0.00 56.93 56.14 2ki8 s PHE 120 Cb -0.13 -4.45 0.05 0.00 -0.57 0.00 0.00 43.02 37.92 2ki8 s PHE 120 CO -0.02 -1.62 0.49 0.21 -0.10 0.00 0.00 175.22 174.17 2ki8 s LYS 121 N 5.29 0.74 0.00 0.44 2.20 -1.26 -5.18 119.74 121.97 2ki8 s LYS 121 Ca 0.59 0.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 2ki8 s LYS 121 Cb 0.01 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 2ki8 s LYS 121 CO 0.07 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2ki8 n GLY 122 N 1.79 4.69 3.66 5.54 0.00 -1.26 -4.72 105.19 114.89 2ki8 n GLY 122 Ca -0.18 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.43 5.02 0.57 1.61 1.01 0.23 -4.73 120.40 122.68 2ki8 s VAL 123 Ca 0.00 1.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.99 2ki8 s VAL 123 Cb 0.00 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2ki8 s VAL 123 CO 0.00 0.11 1.20 -0.54 0.00 0.00 0.00 175.10 175.87 2ki8 s LYS 124 N 1.87 3.12 0.00 2.72 1.02 -1.26 0.33 119.74 127.54 2ki8 s LYS 124 Ca 0.29 1.80 0.00 0.00 0.02 0.00 0.00 55.97 58.08 2ki8 s LYS 124 Cb -0.16 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 2ki8 s LYS 124 CO 0.11 -1.08 0.00 0.41 -0.92 0.00 0.00 175.35 173.87 2ki8 n GLY 125 N 0.45 0.97 3.24 -3.33 0.00 0.58 -4.66 105.19 102.44 2ki8 n GLY 125 Ca 0.13 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.63 1.13 -0.08 2.61 -4.23 0.43 -0.93 115.64 112.95 2ki8 s THR 126 Ca 0.00 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 58.34 2ki8 s THR 126 Cb 0.00 -1.81 0.03 0.00 1.34 0.00 0.00 72.50 72.06 2ki8 s THR 126 CO 0.00 -0.74 0.34 0.54 -0.54 0.00 0.00 174.62 174.21 2ki8 s VAL 127 N -3.29 0.03 0.17 2.29 0.11 -0.93 -1.04 120.40 117.73 2ki8 s VAL 127 Ca 0.16 -0.21 -0.24 0.00 -2.93 0.00 0.00 61.98 58.76 2ki8 s VAL 127 Cb 0.02 -0.55 0.06 0.00 -1.53 0.00 0.00 36.38 34.38 2ki8 s VAL 127 CO 0.00 -0.11 0.88 -1.83 -3.33 0.00 0.00 175.10 170.71 2ki8 s GLU 128 N -0.49 1.30 0.52 1.54 -1.05 -0.91 -1.12 118.70 118.50 2ki8 s GLU 128 Ca -0.06 -0.70 -0.21 0.00 -0.15 0.00 0.00 54.97 53.86 2ki8 s GLU 128 Cb -0.04 0.46 -0.06 0.00 -0.44 0.00 0.00 34.13 34.05 2ki8 s GLU 128 CO 0.02 -0.59 1.16 0.21 0.95 0.00 0.00 175.26 177.01 2ki8 s LYS 129 N -3.44 3.44 0.05 -4.83 2.20 -1.26 -0.62 119.74 115.28 2ki8 s LYS 129 Ca 0.11 1.73 -0.09 0.00 -0.36 0.00 0.00 55.97 57.36 2ki8 s LYS 129 Cb -0.02 -2.15 -0.00 0.00 -1.51 0.00 0.00 37.83 34.14 2ki8 s LYS 129 CO 0.02 -0.80 0.17 -0.08 -0.36 0.00 0.00 175.35 174.30 2ki8 s THR 130 N -1.64 0.12 -2.08 3.43 -1.32 -0.48 -4.75 115.64 108.91 2ki8 s THR 130 Ca 0.70 -1.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.46 2ki8 s THR 130 Cb -0.27 -1.01 0.43 0.00 -1.51 0.00 0.00 72.50 70.14 2ki8 s THR 130 CO 0.31 -0.55 1.69 0.47 -2.21 0.00 0.00 174.62 174.34 2ki8 n ASP 131 N 0.54 1.15 -4.23 8.08 8.00 -1.26 -4.36 116.55 124.47 2ki8 n ASP 131 Ca -0.18 -1.13 -0.29 0.00 0.71 0.00 0.00 54.79 53.89 2ki8 n ASP 131 Cb 0.60 0.05 0.23 0.00 -0.02 0.00 0.00 41.12 41.98 2ki8 n ASP 131 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2ki8 s GLU 132 N -2.26 -0.85 0.24 -1.24 2.02 -1.26 -5.03 118.70 110.32 2ki8 s GLU 132 Ca 0.32 0.34 -0.13 0.00 0.02 0.00 0.00 54.97 55.52 2ki8 s GLU 132 Cb 0.20 -1.60 -0.08 0.00 0.10 0.00 0.00 34.13 32.75 2ki8 s GLU 132 CO 0.43 -3.55 0.62 -1.59 0.02 0.00 0.00 175.26 171.18 2ki8 s LYS 133 N -5.00 3.93 -0.01 1.61 -2.85 -1.26 -4.87 119.74 111.29 2ki8 s LYS 133 Ca 0.68 0.48 -0.30 0.00 -1.00 0.00 0.00 55.97 55.83 2ki8 s LYS 133 Cb -0.17 -2.66 -0.06 0.00 -2.06 0.00 0.00 37.83 32.89 2ki8 s LYS 133 CO 0.59 0.31 1.45 0.08 0.10 0.00 0.00 175.35 177.88 2ki8 s VAL 134 N -1.77 3.64 -0.92 1.79 1.01 -1.26 -4.69 120.40 118.20 2ki8 s VAL 134 Ca 0.47 1.00 -0.24 0.00 0.00 0.00 0.00 61.98 63.20 2ki8 s VAL 134 Cb -0.12 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2ki8 s VAL 134 CO 0.20 -0.02 1.91 -0.76 0.00 0.00 0.00 175.10 176.43 2ki8 s LEU 135 N 2.67 3.19 0.52 3.92 1.43 -0.97 -4.94 118.68 124.49 2ki8 s LEU 135 Ca 0.66 -0.77 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 2ki8 s LEU 135 Cb -0.32 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.23 2ki8 s LEU 135 CO 0.27 -2.66 0.50 -1.20 0.23 0.00 0.00 176.35 173.49 2ki8 n SER 136 N 13.58 -1.11 -0.30 2.29 7.64 -1.26 -4.24 113.62 130.22 2ki8 n SER 136 Ca 0.40 0.79 0.12 0.00 1.01 0.00 0.00 58.87 61.19 2ki8 n SER 136 Cb 0.47 -1.14 0.28 0.00 -1.01 0.00 0.00 64.21 62.81 2ki8 n SER 136 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2ki8 h VAL 137 N 0.42 0.27 -0.05 0.44 2.07 -1.93 0.31 116.25 117.78 2ki8 h VAL 137 Ca -0.44 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 2ki8 h VAL 137 Cb 1.40 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2ki8 h VAL 137 CO 0.48 0.03 -0.14 0.50 0.02 0.00 0.00 177.57 178.46 2ki8 h LYS 138 N 0.16 0.18 -0.90 1.57 3.64 -2.01 -3.03 116.57 116.19 2ki8 h LYS 138 Ca 0.54 -0.13 0.10 0.00 -1.27 0.00 0.00 60.65 59.89 2ki8 h LYS 138 Cb 1.10 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.87 2ki8 h LYS 138 CO -0.70 0.74 0.58 1.49 -2.27 0.00 0.00 179.45 179.30 2ki8 h GLU 139 N -0.34 0.87 -0.72 1.90 4.57 -1.15 -0.65 114.58 119.06 2ki8 h GLU 139 Ca -0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2ki8 h GLU 139 Cb 0.75 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 2ki8 h GLU 139 CO 0.03 0.58 0.42 1.25 -1.18 0.00 0.00 179.01 180.10 2ki8 h LEU 140 N 0.90 0.88 -0.37 1.64 6.46 -0.55 0.40 115.31 124.66 2ki8 h LEU 140 Ca 0.42 -0.08 0.04 0.00 -0.12 0.00 0.00 57.88 58.15 2ki8 h LEU 140 Cb 0.41 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 2ki8 h LEU 140 CO -0.18 0.70 0.13 -0.07 -0.62 0.00 0.00 178.44 178.40 2ki8 h LEU 141 N 0.99 0.15 -0.27 2.25 3.38 -0.99 -1.72 115.31 119.09 2ki8 h LEU 141 Ca 0.26 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 58.08 2ki8 h LEU 141 Cb -0.00 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2ki8 h LEU 141 CO -0.05 0.12 -0.87 -0.33 0.09 0.00 0.00 178.44 177.40 2ki8 h GLU 142 N 0.29 0.05 -0.79 1.13 5.08 -1.26 0.85 114.58 119.93 2ki8 h GLU 142 Ca 0.17 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2ki8 h GLU 142 Cb 0.14 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2ki8 h GLU 142 CO -0.17 0.89 0.44 0.00 -1.00 0.00 0.00 179.01 179.17 2ki8 h ALA 143 N 1.09 1.01 0.00 3.43 0.00 0.28 -1.54 119.26 123.53 2ki8 h ALA 143 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ki8 h ALA 143 Cb 1.53 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ki8 h ALA 143 CO 0.12 0.51 0.00 0.44 0.00 0.00 0.00 179.25 180.32 2ki8 n ILE 144 N -4.43 0.33 0.00 0.00 -5.35 -0.69 -4.87 119.36 104.34 2ki8 n ILE 144 Ca 0.08 0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 2ki8 n ILE 144 Cb 0.08 -0.69 0.00 0.00 -1.74 0.00 0.00 39.64 37.30 2ki8 n ILE 144 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ki8 n GLY 145 N 0.81 1.19 0.28 3.28 0.00 -0.58 -5.12 105.19 105.05 2ki8 n GLY 145 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 2ki8 n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06