#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 0.99 0.20 3.17 0.00 -1.26 -5.18 107.32 105.25 2ki8 s GLY 2 Ca 0.00 -1.30 0.04 0.00 0.00 0.00 0.00 44.72 43.46 2ki8 s GLY 2 CO 0.00 -1.03 0.32 -1.35 0.00 0.00 0.00 173.10 171.04 2ki8 s SER 3 N -3.09 6.32 -0.29 1.64 1.04 -1.26 -5.10 113.70 112.96 2ki8 s SER 3 Ca 0.31 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.86 2ki8 s SER 3 Cb 0.03 -1.88 0.15 0.00 0.10 0.00 0.00 66.02 64.43 2ki8 s SER 3 CO 0.10 -0.02 0.37 -0.44 0.98 0.00 0.00 173.24 174.24 2ki8 s SER 4 N -3.64 0.80 0.00 7.02 0.01 -1.26 -5.15 113.70 111.48 2ki8 s SER 4 Ca 0.34 -0.54 -0.01 0.00 1.31 0.00 0.00 55.95 57.04 2ki8 s SER 4 Cb -0.10 0.91 -0.01 0.00 0.21 0.00 0.00 66.02 67.03 2ki8 s SER 4 CO 0.29 -0.36 0.02 -1.38 0.41 0.00 0.00 173.24 172.22 2ki8 s HIS 5 N 2.45 0.08 -0.14 2.43 -0.00 -1.26 -5.17 115.29 113.67 2ki8 s HIS 5 Ca 0.10 -0.15 -0.13 0.00 -0.00 0.00 0.00 55.06 54.87 2ki8 s HIS 5 Cb -0.13 -0.07 0.04 0.00 -0.00 0.00 0.00 32.58 32.42 2ki8 s HIS 5 CO -0.30 -0.11 0.38 -3.38 -0.00 0.00 0.00 174.74 171.33 2ki8 s HIS 6 N -0.65 -0.42 -0.23 0.38 0.00 -1.26 -5.14 115.29 107.96 2ki8 s HIS 6 Ca -0.07 1.03 -0.04 0.00 -3.00 0.00 0.00 55.06 52.98 2ki8 s HIS 6 Cb -0.04 0.15 0.09 0.00 -4.00 0.00 0.00 32.58 28.77 2ki8 s HIS 6 CO -0.00 -0.21 0.15 -3.38 -1.00 0.00 0.00 174.74 170.30 2ki8 s HIS 7 N 0.26 0.08 -0.61 0.38 -0.00 -1.26 -5.09 115.29 109.05 2ki8 s HIS 7 Ca -0.00 -0.41 -0.02 0.00 -0.00 0.00 0.00 55.06 54.63 2ki8 s HIS 7 Cb -0.03 -0.68 0.16 0.00 -0.00 0.00 0.00 32.58 32.02 2ki8 s HIS 7 CO -0.00 -0.69 0.41 -1.01 -0.00 0.00 0.00 174.74 173.45 2ki8 s HIS 8 N 2.18 3.38 0.04 0.38 0.09 -1.26 -5.07 115.29 115.04 2ki8 s HIS 8 Ca 0.06 -2.79 0.01 0.00 -0.00 0.00 0.00 55.06 52.34 2ki8 s HIS 8 Cb -0.16 -3.14 -0.03 0.00 -0.00 0.00 0.00 32.58 29.26 2ki8 s HIS 8 CO -0.23 -0.83 -0.05 -1.01 -0.00 0.00 0.00 174.74 172.63 2ki8 s HIS 9 N -0.10 0.50 -0.32 1.40 4.02 -1.26 -5.12 115.29 114.41 2ki8 s HIS 9 Ca 0.17 -0.69 -0.02 0.00 1.02 0.00 0.00 55.06 55.54 2ki8 s HIS 9 Cb -0.21 -0.33 0.12 0.00 -1.02 0.00 0.00 32.58 31.14 2ki8 s HIS 9 CO -0.03 -0.20 0.16 -1.01 1.02 0.00 0.00 174.74 174.68 2ki8 s HIS 10 N -2.26 0.50 -0.76 1.40 0.09 -1.26 -5.09 115.29 107.92 2ki8 s HIS 10 Ca -0.06 -1.20 -0.25 0.00 -0.00 0.00 0.00 55.06 53.55 2ki8 s HIS 10 Cb -0.04 -0.91 -0.07 0.00 -0.00 0.00 0.00 32.58 31.56 2ki8 s HIS 10 CO -0.03 -0.83 2.09 -1.54 -0.00 0.00 0.00 174.74 174.43 2ki8 s SER 11 N 1.66 4.78 0.03 1.40 1.04 -1.26 -4.91 113.70 116.44 2ki8 s SER 11 Ca 0.13 -0.07 -0.31 0.00 0.48 0.00 0.00 55.95 56.17 2ki8 s SER 11 Cb -0.19 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.29 2ki8 s SER 11 CO -0.21 -2.96 1.93 -1.54 0.98 0.00 0.00 173.24 171.44 2ki8 n SER 12 N 15.08 3.98 -3.19 7.02 3.41 -1.26 -4.94 113.62 133.72 2ki8 n SER 12 Ca 0.37 0.93 -0.17 0.00 -0.26 0.00 0.00 58.87 59.75 2ki8 n SER 12 Cb 0.48 -1.50 -0.06 0.00 -0.26 0.00 0.00 64.21 62.88 2ki8 n SER 12 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ki8 s GLY 13 N 4.01 0.07 -0.07 5.00 0.00 -1.26 -5.01 107.32 110.06 2ki8 s GLY 13 Ca 0.88 -1.38 -0.25 0.00 0.00 0.00 0.00 44.72 43.97 2ki8 s GLY 13 CO 0.43 2.78 0.90 -0.09 0.00 0.00 0.00 173.10 177.13 2ki8 h ARG 14 N 5.88 0.17 -1.10 2.90 2.43 -2.04 -3.51 114.38 119.11 2ki8 h ARG 14 Ca 0.14 -0.25 0.07 0.00 -0.81 0.00 0.00 59.98 59.13 2ki8 h ARG 14 Cb 1.02 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.61 2ki8 h ARG 14 CO 0.21 1.07 -0.36 0.39 -1.51 0.00 0.00 179.97 179.76 2ki8 n GLU 15 N -4.39 -1.10 -0.51 0.20 -0.58 -1.26 -5.01 120.64 107.99 2ki8 n GLU 15 Ca -0.11 0.88 -0.00 0.00 -0.42 0.00 0.00 57.16 57.51 2ki8 n GLU 15 Cb 0.62 -1.20 -0.00 0.00 -0.57 0.00 0.00 31.44 30.28 2ki8 n GLU 15 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2ki8 n ASN 16 N -2.44 -0.01 -4.91 1.62 4.05 -1.26 -5.14 115.26 107.17 2ki8 n ASN 16 Ca -0.02 -1.12 -0.22 0.00 0.45 0.00 0.00 54.58 53.67 2ki8 n ASN 16 Cb 0.19 -0.02 -0.01 0.00 1.23 0.00 0.00 39.78 41.17 2ki8 n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2ki8 s LEU 17 N 0.00 3.21 -0.29 1.20 1.02 -1.26 -5.14 118.68 117.42 2ki8 s LEU 17 Ca 0.00 -0.85 -0.14 0.00 0.02 0.00 0.00 54.13 53.16 2ki8 s LEU 17 Cb 0.00 -1.84 0.13 0.00 0.02 0.00 0.00 46.19 44.50 2ki8 s LEU 17 CO -0.00 -0.85 0.79 -0.72 0.02 0.00 0.00 176.35 175.59 2ki8 s TYR 18 N -2.56 -0.99 -0.70 0.29 1.13 -1.26 -5.00 117.35 108.26 2ki8 s TYR 18 Ca 0.47 1.82 -0.16 0.00 -1.41 0.00 0.00 57.07 57.80 2ki8 s TYR 18 Cb -0.04 0.60 0.16 0.00 -1.10 0.00 0.00 41.96 41.58 2ki8 s TYR 18 CO 0.28 -0.49 0.69 0.12 -2.51 0.00 0.00 175.55 173.64 2ki8 s PHE 19 N 2.20 3.43 -1.01 -3.49 5.36 -1.26 -4.97 117.98 118.23 2ki8 s PHE 19 Ca -0.07 -1.56 -0.17 0.00 -0.96 0.00 0.00 56.93 54.17 2ki8 s PHE 19 Cb -0.07 -3.87 0.14 0.00 -0.34 0.00 0.00 43.02 38.88 2ki8 s PHE 19 CO -0.18 -1.08 1.22 -1.14 -1.46 0.00 0.00 175.22 172.58 2ki8 s GLN 20 N 1.20 3.74 0.25 10.12 0.74 -1.26 -4.97 119.66 129.48 2ki8 s GLN 20 Ca 0.13 -2.00 0.05 0.00 0.05 0.00 0.00 55.36 53.59 2ki8 s GLN 20 Cb -0.19 -4.96 -0.02 0.00 1.10 0.00 0.00 33.01 28.94 2ki8 s GLN 20 CO -0.03 -1.77 0.19 0.41 -0.55 0.00 0.00 175.29 173.54 2ki8 n GLY 21 N 5.09 3.26 3.46 2.59 0.00 -1.26 -5.11 105.19 113.22 2ki8 n GLY 21 Ca 0.28 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.93 2.77 0.56 1.61 2.46 -1.26 -5.04 115.29 113.45 2ki8 s HIS 22 Ca 0.27 -0.47 -0.16 0.00 0.47 0.00 0.00 55.06 55.17 2ki8 s HIS 22 Cb 0.01 -4.14 -0.05 0.00 -0.13 0.00 0.00 32.58 28.27 2ki8 s HIS 22 CO 0.19 -1.49 1.03 0.00 -2.47 0.00 0.00 174.74 172.01 2ki8 s MET 23 N 3.76 3.54 0.10 2.88 0.23 -1.26 -4.78 119.30 123.77 2ki8 s MET 23 Ca 0.22 1.14 0.09 0.00 -1.03 0.00 0.00 55.69 56.11 2ki8 s MET 23 Cb -0.17 -2.07 -0.04 0.00 -1.53 0.00 0.00 34.83 31.03 2ki8 s MET 23 CO 0.12 -0.63 -0.20 -0.51 -2.03 0.00 0.00 175.02 171.77 2ki8 s LEU 24 N -4.30 2.58 -0.09 0.18 1.02 -0.63 -4.96 118.68 112.48 2ki8 s LEU 24 Ca 0.62 -0.57 -0.25 0.00 0.02 0.00 0.00 54.13 53.96 2ki8 s LEU 24 Cb -0.14 -1.46 -0.03 0.00 0.02 0.00 0.00 46.19 44.57 2ki8 s LEU 24 CO 0.34 0.20 0.76 -1.61 0.02 0.00 0.00 176.35 176.06 2ki8 s GLU 25 N -1.96 4.40 0.09 1.70 2.02 -1.26 -0.61 118.70 123.09 2ki8 s GLU 25 Ca 0.16 0.96 -0.02 0.00 0.02 0.00 0.00 54.97 56.10 2ki8 s GLU 25 Cb -0.10 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 2ki8 s GLU 25 CO 0.08 -0.07 0.03 0.14 0.02 0.00 0.00 175.26 175.46 2ki8 s VAL 26 N 1.23 0.16 -0.38 2.63 -7.23 0.02 -4.72 120.40 112.10 2ki8 s VAL 26 Ca 0.39 -1.80 -0.15 0.00 -1.81 0.00 0.00 61.98 58.61 2ki8 s VAL 26 Cb -0.18 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.02 2ki8 s VAL 26 CO 0.17 -0.73 0.32 -0.70 -0.31 0.00 0.00 175.10 173.86 2ki8 s GLU 27 N -3.97 3.25 -0.26 4.82 2.12 -0.48 0.11 118.70 124.28 2ki8 s GLU 27 Ca 0.14 -0.76 -0.23 0.00 0.36 0.00 0.00 54.97 54.49 2ki8 s GLU 27 Cb 0.07 -3.90 -0.01 0.00 0.26 0.00 0.00 34.13 30.56 2ki8 s GLU 27 CO -0.05 -0.64 0.75 0.08 -0.54 0.00 0.00 175.26 174.86 2ki8 s VAL 28 N 1.84 4.88 0.16 3.70 1.01 0.14 -0.94 120.40 131.18 2ki8 s VAL 28 Ca 0.08 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.42 2ki8 s VAL 28 Cb -0.18 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2ki8 s VAL 28 CO 0.11 -0.08 0.19 -0.63 0.00 0.00 0.00 175.10 174.69 2ki8 s ILE 29 N 2.76 4.80 -0.22 2.22 1.01 0.44 0.57 121.20 132.77 2ki8 s ILE 29 Ca 0.31 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 2ki8 s ILE 29 Cb -0.15 -3.46 0.07 0.00 0.01 0.00 0.00 42.46 38.93 2ki8 s ILE 29 CO 0.09 -0.11 0.05 -0.55 0.00 0.00 0.00 174.94 174.42 2ki8 s SER 30 N -3.16 3.21 -0.14 3.58 0.15 -1.24 -0.26 113.70 115.83 2ki8 s SER 30 Ca 0.32 -1.02 -0.06 0.00 0.70 0.00 0.00 55.95 55.90 2ki8 s SER 30 Cb -0.10 -0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 63.50 2ki8 s SER 30 CO 0.25 -0.33 0.05 -0.83 1.20 0.00 0.00 173.24 173.59 2ki8 s GLY 31 N 1.80 1.92 -1.21 9.45 0.00 -0.95 -4.69 107.32 113.64 2ki8 s GLY 31 Ca 0.01 -0.75 -0.20 0.00 0.00 0.00 0.00 44.72 43.78 2ki8 s GLY 31 CO -0.12 -0.19 1.75 -1.60 0.00 0.00 0.00 173.10 172.93 2ki8 s ARG 32 N -0.18 3.55 0.11 2.90 3.52 -1.26 -0.54 118.95 127.05 2ki8 s ARG 32 Ca 0.07 -1.61 -0.01 0.00 -0.13 0.00 0.00 55.73 54.05 2ki8 s ARG 32 Cb -0.12 -5.43 -0.18 0.00 -1.56 0.00 0.00 34.95 27.66 2ki8 s ARG 32 CO 0.01 -2.66 1.24 0.00 -0.81 0.00 0.00 175.30 173.08 2ki8 h THR 33 N 5.97 1.52 -3.56 4.11 1.03 -1.96 -3.42 112.91 116.60 2ki8 h THR 33 Ca 0.35 -2.93 -0.64 0.00 -0.01 0.00 0.00 66.41 63.18 2ki8 h THR 33 Cb 0.91 2.75 -0.14 0.00 -1.07 0.00 0.00 68.15 70.60 2ki8 h THR 33 CO 1.39 0.85 0.29 -0.76 -0.01 0.00 0.00 175.52 177.29 2ki8 s LEU 34 N -7.23 4.35 0.00 0.00 1.43 -1.26 -5.06 118.68 110.91 2ki8 s LEU 34 Ca -0.03 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 2ki8 s LEU 34 Cb 0.08 -2.85 0.13 0.00 0.03 0.00 0.00 46.19 43.58 2ki8 s LEU 34 CO 0.86 -0.90 0.74 0.59 0.23 0.00 0.00 176.35 177.86 2ki8 n ASN 35 N 6.62 0.03 -1.88 2.29 4.13 -1.26 -4.90 115.26 120.29 2ki8 n ASN 35 Ca 0.01 -1.26 -0.01 0.00 1.68 0.00 0.00 54.58 55.00 2ki8 n ASN 35 Cb 0.48 -0.56 -0.01 0.00 -1.54 0.00 0.00 39.78 38.15 2ki8 n ASN 35 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ki8 n GLN 36 N -2.58 -3.09 -1.67 3.52 1.13 -1.26 -4.81 117.38 108.62 2ki8 n GLN 36 Ca 0.09 2.46 -0.38 0.00 -1.94 0.00 0.00 57.00 57.23 2ki8 n GLN 36 Cb 0.32 -3.15 -0.03 0.00 0.11 0.00 0.00 30.24 27.49 2ki8 n GLN 36 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2ki8 s GLY 37 N -0.37 -0.16 -0.07 1.08 0.00 -1.26 -4.90 107.32 101.64 2ki8 s GLY 37 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 44.72 44.52 2ki8 s GLY 37 CO 0.09 3.93 0.39 0.00 0.00 0.00 0.00 173.10 177.52 2ki8 s ALA 38 N 10.94 -0.99 0.81 3.20 0.00 -1.26 -5.16 121.76 129.29 2ki8 s ALA 38 Ca 0.92 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 53.52 2ki8 s ALA 38 Cb -0.18 -0.21 0.08 0.00 0.00 0.00 0.00 23.12 22.81 2ki8 s ALA 38 CO 0.26 -0.25 1.11 -0.08 0.00 0.00 0.00 175.76 176.81 2ki8 s THR 39 N -0.75 2.90 0.56 0.00 -1.32 -1.26 -4.91 115.64 110.85 2ki8 s THR 39 Ca -0.08 0.30 0.24 0.00 -1.21 0.00 0.00 61.69 60.94 2ki8 s THR 39 Cb -0.04 -2.65 0.33 0.00 -1.51 0.00 0.00 72.50 68.63 2ki8 s THR 39 CO 0.04 -0.37 2.16 1.62 -2.21 0.00 0.00 174.62 175.86 2ki8 h VAL 40 N -1.27 0.70 -0.44 5.08 3.04 -2.01 -0.50 116.25 120.85 2ki8 h VAL 40 Ca -0.44 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.33 2ki8 h VAL 40 Cb 1.25 0.94 -0.02 0.00 -2.01 0.00 0.00 31.29 31.44 2ki8 h VAL 40 CO 0.48 0.00 0.30 -0.08 -1.01 0.00 0.00 177.57 177.26 2ki8 h GLU 41 N 0.00 0.26 -0.09 4.17 4.81 -2.00 0.32 114.58 122.05 2ki8 h GLU 41 Ca 0.04 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 2ki8 h GLU 41 Cb 0.20 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2ki8 h GLU 41 CO -0.00 0.17 -0.63 0.93 -0.73 0.00 0.00 179.01 178.75 2ki8 h GLU 42 N 0.27 0.34 0.00 1.92 4.39 -1.44 -3.39 114.58 116.67 2ki8 h GLU 42 Ca 0.20 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2ki8 h GLU 42 Cb 0.45 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2ki8 h GLU 42 CO -0.04 0.86 0.00 1.63 -1.16 0.00 0.00 179.01 180.30 2ki8 n LYS 43 N -3.87 0.00 -0.76 2.33 4.01 -0.57 -4.94 118.16 114.35 2ki8 n LYS 43 Ca -0.03 0.19 0.00 0.00 -0.51 0.00 0.00 58.31 57.96 2ki8 n LYS 43 Cb 0.64 -0.68 0.00 0.00 -0.51 0.00 0.00 35.03 34.48 2ki8 n LYS 43 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2ki8 n LEU 44 N -2.23 0.78 -4.86 -0.35 4.77 0.10 -4.94 117.00 110.27 2ki8 n LEU 44 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 2ki8 n LEU 44 Cb 0.00 -2.01 -0.02 0.00 -2.33 0.00 0.00 43.42 39.06 2ki8 n LEU 44 CO 0.00 -0.76 0.62 0.28 -1.33 0.00 0.00 177.39 176.20 2ki8 s THR 45 N -0.78 4.65 0.47 -5.08 -1.32 -1.26 -4.96 115.64 107.36 2ki8 s THR 45 Ca 0.00 0.95 0.13 0.00 -1.21 0.00 0.00 61.69 61.55 2ki8 s THR 45 Cb 0.00 -3.76 0.25 0.00 -1.51 0.00 0.00 72.50 67.48 2ki8 s THR 45 CO 0.00 -0.76 2.09 -0.08 -2.21 0.00 0.00 174.62 173.66 2ki8 h GLU 46 N 0.69 0.18 -0.86 7.08 4.81 -2.00 -1.39 114.58 123.09 2ki8 h GLU 46 Ca -0.46 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.80 2ki8 h GLU 46 Cb 1.19 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 2ki8 h GLU 46 CO 0.62 0.15 0.56 1.49 -0.73 0.00 0.00 179.01 181.10 2ki8 h GLU 47 N 0.18 0.98 -0.62 1.92 4.57 -1.98 0.10 114.58 119.74 2ki8 h GLU 47 Ca 0.05 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2ki8 h GLU 47 Cb 0.04 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.37 2ki8 h GLU 47 CO -0.01 0.65 0.39 -0.92 -1.18 0.00 0.00 179.01 177.95 2ki8 h TYR 48 N 1.01 0.74 0.95 0.92 5.03 -1.63 0.83 116.97 124.81 2ki8 h TYR 48 Ca 0.35 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.64 2ki8 h TYR 48 Cb 0.12 -0.25 0.01 0.00 1.55 0.00 0.00 36.73 38.17 2ki8 h TYR 48 CO -0.00 0.45 -0.45 0.35 -1.32 0.00 0.00 178.16 177.18 2ki8 h PHE 49 N 0.79 -1.18 -0.58 -3.82 3.04 -1.19 -2.16 116.94 111.85 2ki8 h PHE 49 Ca 0.24 -0.03 0.17 0.00 3.98 0.00 0.00 57.97 62.33 2ki8 h PHE 49 Cb -0.03 0.39 -0.02 0.00 2.56 0.00 0.00 35.95 38.84 2ki8 h PHE 49 CO -0.04 -0.73 0.47 -0.91 -2.02 0.00 0.00 178.31 175.08 2ki8 h ASN 50 N -1.29 0.00 0.37 0.41 2.35 -0.67 -1.32 115.58 115.43 2ki8 h ASN 50 Ca -0.13 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.30 2ki8 h ASN 50 Cb 0.97 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.36 2ki8 h ASN 50 CO 0.21 0.00 -1.51 0.00 -1.65 0.00 0.00 177.43 174.49 2ki8 h ALA 51 N 1.60 0.06 -0.37 -0.83 0.00 -0.67 -3.38 119.26 115.67 2ki8 h ALA 51 Ca 0.28 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2ki8 h ALA 51 Cb 1.22 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2ki8 h ALA 51 CO -0.00 0.93 0.00 1.33 0.00 0.00 0.00 179.25 181.51 2ki8 n VAL 52 N -3.59 0.96 -0.93 0.00 0.24 -0.81 -4.58 118.33 109.63 2ki8 n VAL 52 Ca -0.17 -0.98 -0.10 0.00 -2.04 0.00 0.00 64.34 61.05 2ki8 n VAL 52 Cb 1.07 0.53 0.25 0.00 -1.47 0.00 0.00 33.84 34.22 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 0.62 4.39 -3.87 -1.34 3.02 -0.57 -4.74 115.26 112.79 2ki8 n ASN 53 Ca 0.13 -3.23 -0.09 0.00 -0.03 0.00 0.00 54.58 51.36 2ki8 n ASN 53 Cb 0.44 -0.76 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 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 -2.87 0.14 -0.01 3.10 -0.85 -1.26 -0.78 117.35 114.82 2ki8 s TYR 54 Ca 0.52 -0.52 0.04 0.00 -0.52 0.00 0.00 57.07 56.58 2ki8 s TYR 54 Cb 0.42 -0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.68 2ki8 s TYR 54 CO 0.12 -0.50 -0.13 0.00 -1.52 0.00 0.00 175.55 173.51 2ki8 s ALA 55 N -3.51 1.14 -0.39 9.51 0.00 -0.34 -4.28 121.76 123.90 2ki8 s ALA 55 Ca 0.02 -0.57 -0.23 0.00 0.00 0.00 0.00 51.96 51.18 2ki8 s ALA 55 Cb 0.03 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.86 2ki8 s ALA 55 CO -0.09 0.27 0.78 -1.21 0.00 0.00 0.00 175.76 175.51 2ki8 s GLU 56 N -0.25 3.66 0.12 0.00 2.02 0.78 -1.46 118.70 123.57 2ki8 s GLU 56 Ca 0.04 0.19 0.07 0.00 0.02 0.00 0.00 54.97 55.29 2ki8 s GLU 56 Cb -0.06 -3.85 -0.04 0.00 0.10 0.00 0.00 34.13 30.28 2ki8 s GLU 56 CO -0.00 -0.93 -0.08 0.42 0.02 0.00 0.00 175.26 174.69 2ki8 s ILE 57 N 3.16 3.45 0.19 -1.63 1.01 0.11 -1.72 121.20 125.77 2ki8 s ILE 57 Ca 0.31 -1.29 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 2ki8 s ILE 57 Cb -0.13 -2.64 -0.08 0.00 0.01 0.00 0.00 42.46 39.62 2ki8 s ILE 57 CO 0.19 0.07 1.21 0.20 0.00 0.00 0.00 174.94 176.61 2ki8 s ASN 58 N -2.33 7.06 0.28 3.58 -0.87 -1.26 -0.40 114.94 120.99 2ki8 s ASN 58 Ca 0.23 2.27 0.02 0.00 -1.57 0.00 0.00 52.86 53.80 2ki8 s ASN 58 Cb -0.11 -2.61 0.57 0.00 -0.02 0.00 0.00 41.25 39.08 2ki8 s ASN 58 CO 0.15 -0.39 1.83 -0.08 -2.57 0.00 0.00 177.10 176.03 2ki8 h GLU 59 N 5.19 0.93 -0.03 -0.60 4.81 -1.90 0.38 114.58 123.36 2ki8 h GLU 59 Ca -0.45 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2ki8 h GLU 59 Cb 1.21 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 2ki8 h GLU 59 CO 0.75 0.61 0.01 0.93 -0.73 0.00 0.00 179.01 180.58 2ki8 h GLU 60 N 0.96 0.05 0.00 1.92 4.39 -1.99 -0.35 114.58 119.56 2ki8 h GLU 60 Ca 0.50 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 60.09 2ki8 h GLU 60 Cb 0.54 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2ki8 h GLU 60 CO -0.28 0.24 -0.49 -0.44 -1.16 0.00 0.00 179.01 176.88 2ki8 h ASP 61 N -0.15 0.00 -0.41 1.42 3.32 -1.87 -1.41 116.42 117.33 2ki8 h ASP 61 Ca 0.01 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.12 2ki8 h ASP 61 Cb 0.21 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 2ki8 h ASP 61 CO -0.00 0.49 0.12 -0.25 -1.72 0.00 0.00 179.24 177.88 2ki8 h TRP 62 N 0.00 0.21 -0.59 4.55 2.91 -0.06 -0.25 115.95 122.72 2ki8 h TRP 62 Ca -0.00 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.97 2ki8 h TRP 62 Cb 0.90 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.49 2ki8 h TRP 62 CO 0.00 0.06 0.10 -0.91 -1.03 0.00 0.00 178.44 176.66 2ki8 h ASN 63 N 0.27 0.93 -0.96 2.65 2.35 -0.73 0.33 115.58 120.42 2ki8 h ASN 63 Ca 0.19 -0.26 0.07 0.00 -0.55 0.00 0.00 56.30 55.76 2ki8 h ASN 63 Cb 0.20 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.26 2ki8 h ASN 63 CO -0.22 0.95 0.62 0.00 -1.65 0.00 0.00 177.43 177.13 2ki8 h ALA 64 N 1.01 1.48 0.00 -0.83 0.00 -0.65 -0.92 119.26 119.35 2ki8 h ALA 64 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2ki8 h ALA 64 Cb 0.41 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2ki8 h ALA 64 CO 0.01 0.36 -0.50 1.28 0.00 0.00 0.00 179.25 180.40 2ki8 n LEU 65 N -4.51 0.56 -2.72 0.00 4.77 -0.16 -4.93 117.00 110.01 2ki8 n LEU 65 Ca 0.15 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.19 2ki8 n LEU 65 Cb 0.22 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 2ki8 n LEU 65 CO 0.32 0.02 0.07 0.61 -1.33 0.00 0.00 177.39 177.08 2ki8 n GLY 66 N 1.42 -0.15 3.89 -0.72 0.00 -0.05 -4.77 105.19 104.80 2ki8 n GLY 66 Ca 0.05 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -5.05 3.90 0.11 0.99 1.43 -0.32 -5.02 118.68 114.72 2ki8 s LEU 67 Ca 0.02 0.95 0.07 0.00 -1.03 0.00 0.00 54.13 54.14 2ki8 s LEU 67 Cb -0.00 -3.81 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 2ki8 s LEU 67 CO 0.52 -0.34 -0.18 -1.58 0.23 0.00 0.00 176.35 175.00 2ki8 s GLN 68 N -3.81 1.07 -0.57 1.70 -0.44 -1.26 -4.89 119.66 111.45 2ki8 s GLN 68 Ca 0.48 -1.18 -0.26 0.00 -2.50 0.00 0.00 55.36 51.90 2ki8 s GLN 68 Cb -0.10 -1.16 -0.06 0.00 -1.64 0.00 0.00 33.01 30.05 2ki8 s GLN 68 CO 0.32 0.25 2.22 -1.21 0.50 0.00 0.00 175.29 177.37 2ki8 s GLU 69 N -2.20 2.23 0.00 1.67 8.01 -1.26 -0.66 118.70 126.49 2ki8 s GLU 69 Ca 0.07 1.01 0.00 0.00 0.01 0.00 0.00 54.97 56.06 2ki8 s GLU 69 Cb -0.08 -4.57 0.00 0.00 -4.31 0.00 0.00 34.13 25.17 2ki8 s GLU 69 CO 0.04 -3.23 0.00 0.41 0.01 0.00 0.00 175.26 172.49 2ki8 n GLY 70 N 6.02 1.59 3.59 -1.39 0.00 -1.16 -5.06 105.19 108.79 2ki8 n GLY 70 Ca 0.33 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 2ki8 n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ki8 n ASP 71 N 0.00 0.02 -4.64 1.61 8.00 0.16 -4.56 116.55 117.14 2ki8 n ASP 71 Ca 0.00 0.56 -0.39 0.00 0.71 0.00 0.00 54.79 55.67 2ki8 n ASP 71 Cb 0.00 -1.39 -0.08 0.00 -0.02 0.00 0.00 41.12 39.63 2ki8 n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2ki8 s ARG 72 N -3.65 4.11 0.08 -1.24 3.00 -1.26 -0.38 118.95 119.61 2ki8 s ARG 72 Ca 0.69 0.14 0.08 0.00 0.00 0.00 0.00 55.73 56.64 2ki8 s ARG 72 Cb -0.30 -3.59 -0.04 0.00 0.00 0.00 0.00 34.95 31.03 2ki8 s ARG 72 CO 0.55 -0.14 -0.19 0.14 0.00 0.00 0.00 175.30 175.66 2ki8 s VAL 73 N 1.63 2.77 -0.06 3.52 -7.23 0.16 -1.27 120.40 119.93 2ki8 s VAL 73 Ca 0.17 -1.35 0.04 0.00 -1.81 0.00 0.00 61.98 59.03 2ki8 s VAL 73 Cb -0.15 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 2ki8 s VAL 73 CO 0.08 0.23 -0.15 -0.75 -0.31 0.00 0.00 175.10 174.20 2ki8 s LYS 74 N -1.76 2.58 -0.08 4.82 2.20 0.61 -0.57 119.74 127.53 2ki8 s LYS 74 Ca 0.16 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 55.09 2ki8 s LYS 74 Cb -0.10 -2.38 -0.01 0.00 -1.51 0.00 0.00 37.83 33.82 2ki8 s LYS 74 CO 0.07 0.57 -0.19 0.08 -0.36 0.00 0.00 175.35 175.52 2ki8 s VAL 75 N -0.59 2.57 -0.07 4.02 1.01 0.09 -1.45 120.40 125.99 2ki8 s VAL 75 Ca 0.08 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 2ki8 s VAL 75 Cb -0.11 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.29 2ki8 s VAL 75 CO 0.01 0.56 -0.04 -0.54 0.00 0.00 0.00 175.10 175.10 2ki8 s LYS 76 N -0.10 0.92 0.11 2.72 1.02 -0.03 -1.55 119.74 122.83 2ki8 s LYS 76 Ca -0.04 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 55.90 2ki8 s LYS 76 Cb -0.14 -1.07 -0.00 0.00 -0.52 0.00 0.00 37.83 36.09 2ki8 s LYS 76 CO 0.04 -0.20 0.02 0.25 -0.92 0.00 0.00 175.35 174.54 2ki8 n THR 77 N 4.67 0.00 0.47 2.17 -2.24 -0.16 0.33 114.28 119.52 2ki8 n THR 77 Ca -0.15 -0.57 0.12 0.00 -2.27 0.00 0.00 64.05 61.19 2ki8 n THR 77 Cb 0.50 0.17 0.47 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.25 0.20 -0.08 -0.78 0.28 -1.26 -3.54 120.64 115.20 2ki8 n GLU 78 Ca -0.03 0.36 -0.13 0.00 -0.16 0.00 0.00 57.16 57.20 2ki8 n GLU 78 Cb 0.15 -1.84 -0.09 0.00 1.43 0.00 0.00 31.44 31.09 2ki8 n GLU 78 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 2ki8 h PHE 79 N 0.00 0.00 -0.33 -1.84 0.04 -1.82 -3.51 116.94 109.48 2ki8 h PHE 79 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2ki8 h PHE 79 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2ki8 h PHE 79 CO 0.00 0.88 0.00 0.41 -0.60 0.00 0.00 178.31 179.00 2ki8 n GLY 80 N 1.58 1.51 3.10 -1.45 0.00 -0.45 -4.93 105.19 104.55 2ki8 n GLY 80 Ca -0.15 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 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 1.04 0.54 -0.07 1.61 1.03 -1.26 -0.98 118.70 120.60 2ki8 s GLU 81 Ca 0.00 -0.65 -0.15 0.00 0.03 0.00 0.00 54.97 54.19 2ki8 s GLU 81 Cb 0.00 0.21 0.03 0.00 -0.80 0.00 0.00 34.13 33.57 2ki8 s GLU 81 CO 0.00 -0.13 0.37 0.54 -1.33 0.00 0.00 175.26 174.71 2ki8 s VAL 82 N -2.20 0.03 -0.26 1.83 0.11 -0.60 -4.93 120.40 114.40 2ki8 s VAL 82 Ca -0.08 -0.25 -0.07 0.00 -2.93 0.00 0.00 61.98 58.65 2ki8 s VAL 82 Cb -0.04 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 34.18 2ki8 s VAL 82 CO -0.03 -0.14 0.06 -0.69 -3.33 0.00 0.00 175.10 170.97 2ki8 s VAL 83 N -0.70 4.12 0.40 2.04 1.01 -1.26 -0.73 120.40 125.28 2ki8 s VAL 83 Ca -0.08 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2ki8 s VAL 83 Cb -0.04 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 2ki8 s VAL 83 CO 0.03 0.30 0.14 0.68 0.00 0.00 0.00 175.10 176.25 2ki8 s VAL 84 N 1.57 0.55 0.34 2.92 -7.23 0.26 -2.42 120.40 116.39 2ki8 s VAL 84 Ca 0.06 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.00 2ki8 s VAL 84 Cb -0.15 -2.36 -0.10 0.00 0.56 0.00 0.00 36.38 34.33 2ki8 s VAL 84 CO 0.02 0.00 0.88 -0.36 -0.31 0.00 0.00 175.10 175.34 2ki8 s PHE 85 N -3.23 3.53 -0.15 2.82 0.08 0.04 -0.66 117.98 120.41 2ki8 s PHE 85 Ca 0.25 1.60 -0.17 0.00 0.12 0.00 0.00 56.93 58.73 2ki8 s PHE 85 Cb 0.02 -2.80 -0.04 0.00 -0.57 0.00 0.00 43.02 39.63 2ki8 s PHE 85 CO 0.15 0.12 0.41 0.00 -0.10 0.00 0.00 175.22 175.81 2ki8 s ALA 86 N -1.81 3.52 0.06 5.36 0.00 0.49 -1.19 121.76 128.19 2ki8 s ALA 86 Ca 0.53 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.19 2ki8 s ALA 86 Cb -0.14 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 2ki8 s ALA 86 CO 0.19 -0.03 -0.08 0.15 0.00 0.00 0.00 175.76 175.99 2ki8 s LYS 87 N 0.72 0.62 0.40 0.00 1.02 -0.54 -2.98 119.74 118.98 2ki8 s LYS 87 Ca 0.22 -0.88 -0.23 0.00 0.02 0.00 0.00 55.97 55.10 2ki8 s LYS 87 Cb -0.14 -0.34 -0.10 0.00 -0.52 0.00 0.00 37.83 36.73 2ki8 s LYS 87 CO 0.08 0.05 0.99 0.15 -0.92 0.00 0.00 175.35 175.70 2ki8 s LYS 88 N -1.99 4.25 0.24 1.68 1.02 -1.26 0.09 119.74 123.76 2ki8 s LYS 88 Ca -0.05 1.31 0.01 0.00 0.02 0.00 0.00 55.97 57.27 2ki8 s LYS 88 Cb -0.07 -2.43 -0.05 0.00 -0.52 0.00 0.00 37.83 34.76 2ki8 s LYS 88 CO -0.00 -0.03 0.08 0.20 -0.92 0.00 0.00 175.35 174.67 2ki8 s GLY 89 N -1.84 1.61 -0.15 -3.33 0.00 0.46 -4.51 107.32 99.57 2ki8 s GLY 89 Ca 0.58 -1.80 0.05 0.00 0.00 0.00 0.00 44.72 43.55 2ki8 s GLY 89 CO 0.21 -1.57 1.22 1.22 0.00 0.00 0.00 173.10 174.17 2ki8 n ASP 90 N -0.41 3.26 -4.89 1.64 8.00 -1.26 -4.68 116.55 118.22 2ki8 n ASP 90 Ca -0.01 -2.56 -0.31 0.00 0.71 0.00 0.00 54.79 52.62 2ki8 n ASP 90 Cb 0.66 -0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 41.10 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 -1.70 4.97 0.44 2.53 -7.23 -1.26 -5.07 120.40 113.07 2ki8 s VAL 91 Ca 0.26 0.31 -0.24 0.00 -1.81 0.00 0.00 61.98 60.50 2ki8 s VAL 91 Cb 0.20 -3.66 -0.08 0.00 0.56 0.00 0.00 36.38 33.40 2ki8 s VAL 91 CO 0.06 -0.18 1.16 -2.84 -0.31 0.00 0.00 175.10 173.00 2ki8 s PRO 92 N -3.13 3.88 0.38 4.82 0.02 -1.26 -4.69 135.00 135.01 2ki8 s PRO 92 Ca 0.46 1.79 -0.26 0.00 0.02 0.00 0.00 61.00 63.01 2ki8 s PRO 92 Cb -0.11 -2.51 -0.12 0.00 0.02 0.00 0.00 34.50 31.79 2ki8 s PRO 92 CO 0.25 -0.46 1.05 1.17 -0.33 0.00 0.00 177.00 178.69 2ki8 n LYS 93 N -0.28 1.47 -1.78 5.54 4.81 -1.26 -1.81 118.16 124.85 2ki8 n LYS 93 Ca 0.06 0.52 -0.09 0.00 -0.87 0.00 0.00 58.31 57.93 2ki8 n LYS 93 Cb 0.48 -2.04 -0.02 0.00 0.02 0.00 0.00 35.03 33.47 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 1.13 0.45 3.41 3.14 0.00 -1.26 -5.01 105.19 107.04 2ki8 n GLY 94 Ca 0.09 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.73 0.55 0.03 1.61 0.00 -0.75 -1.39 119.30 115.63 2ki8 s MET 95 Ca 0.00 0.83 0.03 0.00 0.00 0.00 0.00 55.69 56.55 2ki8 s MET 95 Cb 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 34.83 34.98 2ki8 s MET 95 CO 0.00 -0.11 -0.10 0.96 0.00 0.00 0.00 175.02 175.77 2ki8 s ILE 96 N 0.88 0.78 -0.17 10.11 -4.36 -0.11 -4.43 121.20 123.89 2ki8 s ILE 96 Ca -0.05 -0.84 -0.06 0.00 -0.26 0.00 0.00 60.65 59.44 2ki8 s ILE 96 Cb -0.05 -0.73 -0.04 0.00 1.25 0.00 0.00 42.46 42.88 2ki8 s ILE 96 CO -0.07 -0.09 0.03 0.12 0.24 0.00 0.00 174.94 175.18 2ki8 s PHE 97 N -0.84 3.19 -0.08 1.37 2.19 -0.70 -0.42 117.98 122.69 2ki8 s PHE 97 Ca -0.02 -0.03 0.03 0.00 0.33 0.00 0.00 56.93 57.24 2ki8 s PHE 97 Cb -0.07 -2.04 0.01 0.00 -1.31 0.00 0.00 43.02 39.61 2ki8 s PHE 97 CO 0.01 0.11 -0.17 0.42 1.83 0.00 0.00 175.22 177.42 2ki8 s ILE 98 N 0.33 1.50 0.26 3.12 1.01 0.64 -0.15 121.20 127.91 2ki8 s ILE 98 Ca 0.01 -0.70 -0.31 0.00 0.00 0.00 0.00 60.65 59.66 2ki8 s ILE 98 Cb -0.13 -1.33 -0.13 0.00 0.01 0.00 0.00 42.46 40.89 2ki8 s ILE 98 CO 0.01 0.43 1.46 -2.65 0.00 0.00 0.00 174.94 174.20 2ki8 n PRO 99 N 3.66 2.26 -1.50 2.79 -0.02 -1.26 -2.23 135.00 138.70 2ki8 n PRO 99 Ca -0.21 0.80 -0.48 0.00 -2.02 0.00 0.00 63.50 61.59 2ki8 n PRO 99 Cb 0.52 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 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 1.97 1.37 -2.31 -0.52 1.56 0.30 -4.53 117.12 114.96 2ki8 n MET 100 Ca 0.10 0.36 -0.03 0.00 -0.27 0.00 0.00 57.70 57.86 2ki8 n MET 100 Cb 0.33 -2.74 0.01 0.00 2.15 0.00 0.00 33.22 32.97 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 6.28 1.38 0.24 -5.12 0.00 -1.26 -4.82 105.19 101.89 2ki8 n GLY 101 Ca 0.38 -1.09 0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 0.24 1.61 0.13 -1.92 0.13 132.00 132.20 2ki8 h PRO 102 Ca -0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 2ki8 h PRO 102 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2ki8 h PRO 102 CO 0.18 0.16 -0.12 1.88 -0.23 0.00 0.00 178.00 179.88 2ki8 h TYR 103 N 0.00 -0.30 -0.86 1.56 -1.99 -1.91 -2.45 116.97 111.01 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 0.38 0.10 -0.04 0.00 2.00 0.00 0.00 36.73 39.17 2ki8 h TYR 103 CO 0.00 0.04 0.48 0.00 -0.00 0.00 0.00 178.16 178.69 2ki8 h ALA 104 N -0.09 1.10 -0.45 3.88 0.00 -1.74 -2.17 119.26 119.80 2ki8 h ALA 104 Ca -0.03 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.88 2ki8 h ALA 104 Cb 0.48 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2ki8 h ALA 104 CO 0.06 0.60 0.42 -0.97 0.00 0.00 0.00 179.25 179.36 2ki8 h ASN 105 N 1.20 0.00 -0.16 0.00 -1.24 -0.67 0.28 115.58 114.99 2ki8 h ASN 105 Ca 0.31 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.25 2ki8 h ASN 105 Cb 0.01 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 2ki8 h ASN 105 CO -0.05 0.00 -0.08 0.24 -1.29 0.00 0.00 177.43 176.25 2ki8 h MET 106 N 0.00 0.49 0.00 6.67 2.86 -0.89 -3.35 114.93 120.71 2ki8 h MET 106 Ca 0.21 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2ki8 h MET 106 Cb 1.05 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.65 2ki8 h MET 106 CO -0.00 0.58 -1.20 1.33 1.06 0.00 0.00 176.91 178.68 2ki8 n VAL 107 N -4.23 0.00 -2.35 -2.22 0.24 0.18 -1.35 118.33 108.60 2ki8 n VAL 107 Ca 0.01 -0.11 -0.15 0.00 -2.04 0.00 0.00 64.34 62.05 2ki8 n VAL 107 Cb 0.29 0.40 0.08 0.00 -1.47 0.00 0.00 33.84 33.15 2ki8 n VAL 107 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2ki8 n ILE 108 N -1.65 0.00 -3.79 1.34 -5.35 0.73 -4.61 119.36 106.02 2ki8 n ILE 108 Ca -0.01 -0.95 -0.37 0.00 -0.27 0.00 0.00 62.75 61.15 2ki8 n ILE 108 Cb 0.12 -1.16 -0.13 0.00 -1.74 0.00 0.00 39.64 36.73 2ki8 n ILE 108 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2ki8 s ASP 109 N -3.67 5.00 -0.05 7.28 2.15 -1.26 -4.91 116.67 121.21 2ki8 s ASP 109 Ca 0.43 -0.67 0.05 0.00 0.43 0.00 0.00 52.55 52.80 2ki8 s ASP 109 Cb -0.02 -1.86 0.24 0.00 -0.30 0.00 0.00 42.92 40.98 2ki8 s ASP 109 CO 0.29 -0.16 0.98 -0.81 -0.17 0.00 0.00 175.17 175.29 2ki8 n PRO 110 N 4.85 2.00 0.03 4.34 -0.04 -1.26 -3.97 135.00 140.95 2ki8 n PRO 110 Ca -0.15 -0.93 -0.11 0.00 -0.04 0.00 0.00 63.50 62.27 2ki8 n PRO 110 Cb 0.48 -1.56 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 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 1.28 0.11 -3.60 3.54 0.87 -2.03 -3.46 113.55 110.26 2ki8 h SER 111 Ca 0.00 -0.17 -0.51 0.00 -1.23 0.00 0.00 61.79 59.88 2ki8 h SER 111 Cb 0.76 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 2ki8 h SER 111 CO 0.11 1.14 0.12 0.28 -0.53 0.00 0.00 176.83 177.94 2ki8 s THR 112 N -2.64 4.57 -2.03 2.23 -1.32 -1.25 -4.96 115.64 110.23 2ki8 s THR 112 Ca -0.04 1.27 0.10 0.00 -1.21 0.00 0.00 61.69 61.81 2ki8 s THR 112 Cb 0.08 -3.83 0.28 0.00 -1.51 0.00 0.00 72.50 67.52 2ki8 s THR 112 CO 0.83 0.16 1.35 0.47 -2.21 0.00 0.00 174.62 175.22 2ki8 n ASP 113 N 0.59 0.45 0.00 8.08 9.92 -1.26 -4.76 116.55 129.58 2ki8 n ASP 113 Ca -0.01 -1.76 0.00 0.00 -0.53 0.00 0.00 54.79 52.48 2ki8 n ASP 113 Cb 0.51 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 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 0.75 0.86 5.01 0.44 0.00 -1.26 -4.88 105.19 106.11 2ki8 n GLY 114 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2ki8 n GLY 114 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ki8 n THR 115 N -1.15 0.00 0.00 2.61 -1.04 -1.26 -4.31 114.28 109.14 2ki8 n THR 115 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2ki8 n THR 115 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2ki8 n THR 115 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ki8 n GLY 116 N 0.00 1.02 3.59 3.41 0.00 -1.26 -5.14 105.19 106.80 2ki8 n GLY 116 Ca 0.00 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 1.07 2.47 -0.70 1.61 -1.94 -1.26 -5.06 119.30 115.49 2ki8 s MET 117 Ca 0.00 -0.78 -0.26 0.00 -1.71 0.00 0.00 55.69 52.94 2ki8 s MET 117 Cb 0.00 -2.46 -0.07 0.00 2.01 0.00 0.00 34.83 34.31 2ki8 s MET 117 CO 0.00 0.58 2.15 -1.25 -0.01 0.00 0.00 175.02 176.49 2ki8 s PRO 118 N -1.55 2.23 0.00 2.03 0.04 -1.26 -4.95 135.00 131.53 2ki8 s PRO 118 Ca 0.18 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.76 2ki8 s PRO 118 Cb -0.11 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.72 2ki8 s PRO 118 CO 0.09 -3.46 0.00 1.04 0.04 0.00 0.00 177.00 174.71 2ki8 n GLN 119 N 8.97 1.23 -2.13 4.56 6.02 -1.26 -4.98 117.38 129.79 2ki8 n GLN 119 Ca 0.36 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 57.05 2ki8 n GLN 119 Cb 0.49 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.70 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 1.04 2.03 0.01 1.08 0.08 -1.26 -4.84 117.98 116.11 2ki8 s PHE 120 Ca 0.00 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.30 2ki8 s PHE 120 Cb 0.00 -4.10 -0.00 0.00 -0.57 0.00 0.00 43.02 38.35 2ki8 s PHE 120 CO 0.00 -1.38 0.01 1.63 -0.10 0.00 0.00 175.22 175.38 2ki8 n LYS 121 N 8.41 0.77 0.00 0.44 5.02 -1.26 -5.18 118.16 126.37 2ki8 n LYS 121 Ca 0.44 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2ki8 n LYS 121 Cb 0.47 0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 2ki8 n LYS 121 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ki8 n GLY 122 N 1.87 1.50 3.63 0.72 0.00 -1.26 -4.50 105.19 107.14 2ki8 n GLY 122 Ca -0.00 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.57 5.13 0.41 1.61 1.01 0.19 -4.79 120.40 122.40 2ki8 s VAL 123 Ca 0.00 0.75 -0.27 0.00 0.00 0.00 0.00 61.98 62.46 2ki8 s VAL 123 Cb 0.00 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 2ki8 s VAL 123 CO 0.00 0.15 1.45 -0.75 0.00 0.00 0.00 175.10 175.94 2ki8 s LYS 124 N 1.99 3.90 0.00 2.72 2.36 -1.26 0.23 119.74 129.68 2ki8 s LYS 124 Ca 0.19 2.47 0.00 0.00 -2.55 0.00 0.00 55.97 56.08 2ki8 s LYS 124 Cb -0.15 -2.81 0.00 0.00 -1.05 0.00 0.00 37.83 33.82 2ki8 s LYS 124 CO 0.09 -0.67 0.00 0.41 1.55 0.00 0.00 175.35 176.74 2ki8 n GLY 125 N 0.53 2.16 3.11 5.54 0.00 0.12 -4.63 105.19 112.02 2ki8 n GLY 125 Ca 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.58 0.36 0.01 2.61 -4.23 0.15 -0.80 115.64 113.15 2ki8 s THR 126 Ca 0.00 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 2ki8 s THR 126 Cb 0.00 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.36 2ki8 s THR 126 CO 0.00 -0.92 -0.00 0.54 -0.54 0.00 0.00 174.62 173.70 2ki8 s VAL 127 N -3.63 0.06 0.05 2.29 0.11 0.22 -0.85 120.40 118.66 2ki8 s VAL 127 Ca 0.07 -0.50 -0.21 0.00 -2.93 0.00 0.00 61.98 58.40 2ki8 s VAL 127 Cb 0.06 -0.17 0.05 0.00 -1.53 0.00 0.00 36.38 34.79 2ki8 s VAL 127 CO -0.08 -0.28 0.50 -1.83 -3.33 0.00 0.00 175.10 170.08 2ki8 s GLU 128 N -0.81 1.01 0.40 1.54 -1.05 -0.53 -1.61 118.70 117.65 2ki8 s GLU 128 Ca -0.09 -0.27 -0.25 0.00 -0.15 0.00 0.00 54.97 54.22 2ki8 s GLU 128 Cb -0.06 0.46 -0.08 0.00 -0.44 0.00 0.00 34.13 34.01 2ki8 s GLU 128 CO -0.00 -0.36 1.15 0.21 0.95 0.00 0.00 175.26 177.20 2ki8 s LYS 129 N -2.46 4.07 0.03 -4.83 2.20 -1.26 -0.29 119.74 117.21 2ki8 s LYS 129 Ca -0.05 1.78 0.04 0.00 -0.36 0.00 0.00 55.97 57.38 2ki8 s LYS 129 Cb -0.01 -2.66 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 2ki8 s LYS 129 CO -0.02 -0.29 -0.12 -0.08 -0.36 0.00 0.00 175.35 174.49 2ki8 s THR 130 N -1.45 0.91 -0.95 3.43 -1.32 -0.39 -4.75 115.64 111.10 2ki8 s THR 130 Ca 0.57 -0.90 0.25 0.00 -1.21 0.00 0.00 61.69 60.40 2ki8 s THR 130 Cb -0.29 -0.84 0.22 0.00 -1.51 0.00 0.00 72.50 70.08 2ki8 s THR 130 CO 0.37 -0.05 1.80 -0.90 -2.21 0.00 0.00 174.62 173.63 2ki8 n ASP 131 N 1.97 0.11 -4.04 8.08 5.75 -1.26 -4.64 116.55 122.51 2ki8 n ASP 131 Ca -0.18 0.51 -0.29 0.00 -0.01 0.00 0.00 54.79 54.83 2ki8 n ASP 131 Cb 0.55 -0.54 0.19 0.00 -1.03 0.00 0.00 41.12 40.29 2ki8 n ASP 131 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2ki8 n GLU 132 N -1.61 -1.12 -3.73 0.11 1.02 -1.26 -4.94 120.64 109.11 2ki8 n GLU 132 Ca 0.06 -2.21 -0.27 0.00 -0.02 0.00 0.00 57.16 54.72 2ki8 n GLU 132 Cb 0.31 -1.27 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 2ki8 n GLU 132 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2ki8 s LYS 133 N -5.82 3.51 0.22 3.49 -2.85 -1.26 -4.92 119.74 112.11 2ki8 s LYS 133 Ca 0.75 -0.38 -0.30 0.00 -1.00 0.00 0.00 55.97 55.04 2ki8 s LYS 133 Cb -0.02 -2.85 -0.10 0.00 -2.06 0.00 0.00 37.83 32.80 2ki8 s LYS 133 CO 0.52 0.41 1.40 0.08 0.10 0.00 0.00 175.35 177.87 2ki8 s VAL 134 N -1.87 2.86 0.01 1.79 1.01 -1.26 -4.76 120.40 118.18 2ki8 s VAL 134 Ca 0.38 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 2ki8 s VAL 134 Cb -0.11 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 2ki8 s VAL 134 CO 0.29 0.10 1.41 -0.76 0.00 0.00 0.00 175.10 176.14 2ki8 s LEU 135 N -0.15 4.32 0.57 3.92 1.43 -1.02 -5.01 118.68 122.74 2ki8 s LEU 135 Ca 0.59 2.14 -0.20 0.00 -1.03 0.00 0.00 54.13 55.63 2ki8 s LEU 135 Cb -0.40 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 2ki8 s LEU 135 CO 0.40 -0.72 1.22 -0.44 0.23 0.00 0.00 176.35 177.05 2ki8 s SER 136 N 1.86 5.30 0.22 2.29 0.01 -1.26 -4.79 113.70 117.33 2ki8 s SER 136 Ca 0.64 2.44 -0.10 0.00 1.31 0.00 0.00 55.95 60.24 2ki8 s SER 136 Cb -0.32 -2.60 0.33 0.00 0.21 0.00 0.00 66.02 63.64 2ki8 s SER 136 CO 0.27 -1.52 1.66 0.58 0.41 0.00 0.00 173.24 174.64 2ki8 h VAL 137 N 1.07 0.45 -0.17 3.43 2.07 -1.99 0.10 116.25 121.21 2ki8 h VAL 137 Ca -0.50 -0.04 -0.19 0.00 0.82 0.00 0.00 66.70 66.78 2ki8 h VAL 137 Cb 1.29 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2ki8 h VAL 137 CO 0.56 0.02 -0.66 0.50 0.02 0.00 0.00 177.57 178.01 2ki8 h LYS 138 N 0.12 0.67 -0.97 1.57 3.64 -2.00 -2.93 116.57 116.67 2ki8 h LYS 138 Ca 0.35 -0.49 0.10 0.00 -1.27 0.00 0.00 60.65 59.34 2ki8 h LYS 138 Cb 0.57 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.40 2ki8 h LYS 138 CO -0.56 1.11 0.60 1.49 -2.27 0.00 0.00 179.45 179.82 2ki8 h GLU 139 N 0.49 0.97 -0.43 1.90 4.57 -1.33 0.14 114.58 120.88 2ki8 h GLU 139 Ca -0.02 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2ki8 h GLU 139 Cb 1.25 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 2ki8 h GLU 139 CO 0.13 0.64 0.24 1.25 -1.18 0.00 0.00 179.01 180.10 2ki8 h LEU 140 N 1.00 0.38 -0.73 1.64 6.46 -0.86 0.15 115.31 123.36 2ki8 h LEU 140 Ca 0.46 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.25 2ki8 h LEU 140 Cb 0.38 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.20 2ki8 h LEU 140 CO -0.24 0.27 0.47 -0.07 -0.62 0.00 0.00 178.44 178.25 2ki8 h LEU 141 N 0.49 0.79 -0.72 2.25 3.38 -0.62 -2.01 115.31 118.86 2ki8 h LEU 141 Ca 0.18 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 2ki8 h LEU 141 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2ki8 h LEU 141 CO -0.10 0.55 -0.26 -0.33 0.09 0.00 0.00 178.44 178.40 2ki8 h GLU 142 N 0.93 0.70 -0.04 1.13 4.39 -0.76 -2.44 114.58 118.50 2ki8 h GLU 142 Ca 0.28 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2ki8 h GLU 142 Cb -0.03 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2ki8 h GLU 142 CO -0.09 0.89 -0.15 0.00 -1.16 0.00 0.00 179.01 178.50 2ki8 h ALA 143 N 1.11 1.69 -0.20 3.43 0.00 -0.01 -1.62 119.26 123.66 2ki8 h ALA 143 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ki8 h ALA 143 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2ki8 h ALA 143 CO 0.06 0.23 0.00 0.44 0.00 0.00 0.00 179.25 179.98 2ki8 n ILE 144 N -4.34 0.24 0.00 0.00 -6.64 -0.88 -5.00 119.36 102.74 2ki8 n ILE 144 Ca -0.02 -0.58 0.00 0.00 -1.77 0.00 0.00 62.75 60.38 2ki8 n ILE 144 Cb 0.23 1.11 0.00 0.00 -1.44 0.00 0.00 39.64 39.54 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 1.39 2.13 3.93 3.28 0.00 -0.61 -5.09 105.19 110.22 2ki8 n GLY 145 Ca 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2ki8 n GLY 145 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76