#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 1.42 0.01 3.03 0.00 -1.26 -5.11 107.32 105.41 2ki8 s GLY 2 Ca 0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 2ki8 s GLY 2 CO 0.00 -0.99 0.09 -1.35 0.00 0.00 0.00 173.10 170.85 2ki8 s SER 3 N -4.10 5.73 -0.30 1.64 1.04 -1.26 -5.09 113.70 111.37 2ki8 s SER 3 Ca 0.42 0.15 -0.16 0.00 0.48 0.00 0.00 55.95 56.84 2ki8 s SER 3 Cb -0.10 -1.65 0.17 0.00 0.10 0.00 0.00 66.02 64.55 2ki8 s SER 3 CO 0.35 0.26 1.15 -0.55 0.98 0.00 0.00 173.24 175.43 2ki8 s SER 4 N -1.85 -0.25 -0.30 7.02 0.15 -1.26 -5.17 113.70 112.05 2ki8 s SER 4 Ca 0.24 0.15 -0.12 0.00 0.70 0.00 0.00 55.95 56.92 2ki8 s SER 4 Cb -0.12 1.20 0.15 0.00 -1.71 0.00 0.00 66.02 65.54 2ki8 s SER 4 CO 0.16 -0.05 0.81 -2.28 1.20 0.00 0.00 173.24 173.08 2ki8 s HIS 5 N 2.98 -1.04 0.14 3.44 5.65 -1.26 -5.18 115.29 120.01 2ki8 s HIS 5 Ca -0.05 1.75 -0.20 0.00 0.25 0.00 0.00 55.06 56.81 2ki8 s HIS 5 Cb -0.09 0.60 0.05 0.00 -1.18 0.00 0.00 32.58 31.97 2ki8 s HIS 5 CO -0.09 -0.52 0.51 -3.38 -0.65 0.00 0.00 174.74 170.61 2ki8 s HIS 6 N 2.70 -0.39 0.11 3.88 0.00 -1.26 -5.19 115.29 115.15 2ki8 s HIS 6 Ca -0.03 0.13 -0.26 0.00 -3.00 0.00 0.00 55.06 51.90 2ki8 s HIS 6 Cb -0.09 0.42 0.07 0.00 -4.00 0.00 0.00 32.58 28.98 2ki8 s HIS 6 CO -0.18 -0.78 0.88 -3.38 -1.00 0.00 0.00 174.74 170.28 2ki8 s HIS 7 N -3.77 -0.25 0.09 0.38 0.00 -1.26 -5.19 115.29 105.29 2ki8 s HIS 7 Ca 0.02 -0.00 0.04 0.00 -3.00 0.00 0.00 55.06 52.12 2ki8 s HIS 7 Cb 0.00 0.60 -0.03 0.00 -4.00 0.00 0.00 32.58 29.15 2ki8 s HIS 7 CO -0.13 -0.77 -0.11 -1.01 -1.00 0.00 0.00 174.74 171.73 2ki8 s HIS 8 N -3.33 1.04 0.25 0.38 0.09 -1.26 -5.16 115.29 107.30 2ki8 s HIS 8 Ca 0.09 -0.60 0.11 0.00 -0.00 0.00 0.00 55.06 54.65 2ki8 s HIS 8 Cb -0.02 -0.58 -0.05 0.00 -0.00 0.00 0.00 32.58 31.94 2ki8 s HIS 8 CO -0.03 0.00 -0.11 -1.01 -0.00 0.00 0.00 174.74 173.59 2ki8 s HIS 9 N -2.11 2.50 -0.21 1.40 4.02 -1.26 -5.15 115.29 114.48 2ki8 s HIS 9 Ca 0.02 -0.27 -0.11 0.00 1.02 0.00 0.00 55.06 55.72 2ki8 s HIS 9 Cb -0.05 -1.13 0.07 0.00 -1.02 0.00 0.00 32.58 30.45 2ki8 s HIS 9 CO 0.00 0.63 0.49 -1.58 1.02 0.00 0.00 174.74 175.30 2ki8 s HIS 10 N -2.23 -0.77 -0.31 1.40 5.65 -1.26 -5.12 115.29 112.64 2ki8 s HIS 10 Ca 0.29 1.57 0.06 0.00 0.25 0.00 0.00 55.06 57.22 2ki8 s HIS 10 Cb -0.06 0.38 0.19 0.00 -1.18 0.00 0.00 32.58 31.91 2ki8 s HIS 10 CO 0.16 -0.42 0.56 -1.54 -0.65 0.00 0.00 174.74 172.86 2ki8 s SER 11 N 1.69 -1.23 -0.12 9.88 1.04 -1.26 -5.15 113.70 118.55 2ki8 s SER 11 Ca -0.08 -0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.24 2ki8 s SER 11 Cb -0.08 1.84 -0.00 0.00 0.10 0.00 0.00 66.02 67.88 2ki8 s SER 11 CO -0.15 -0.28 -0.20 -0.44 0.98 0.00 0.00 173.24 173.15 2ki8 s SER 12 N 2.57 3.39 0.00 7.02 0.01 -1.26 -5.05 113.70 120.38 2ki8 s SER 12 Ca 0.11 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2ki8 s SER 12 Cb -0.09 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.65 2ki8 s SER 12 CO -0.23 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2ki8 n GLY 13 N 3.71 3.39 3.30 3.44 0.00 -1.26 -5.07 105.19 112.70 2ki8 n GLY 13 Ca -0.19 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.73 2.71 0.56 1.61 0.52 -1.26 -5.09 118.95 114.26 2ki8 s ARG 14 Ca 0.00 -1.48 0.04 0.00 -0.52 0.00 0.00 55.73 53.77 2ki8 s ARG 14 Cb 0.00 -3.92 0.06 0.00 0.52 0.00 0.00 34.95 31.61 2ki8 s ARG 14 CO 0.00 -1.02 0.77 -2.00 0.02 0.00 0.00 175.30 173.07 2ki8 s GLU 15 N 1.48 2.39 0.00 3.54 2.12 -1.26 -5.03 118.70 121.94 2ki8 s GLU 15 Ca 0.04 -1.14 0.00 0.00 0.36 0.00 0.00 54.97 54.23 2ki8 s GLU 15 Cb -0.24 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.59 2ki8 s GLU 15 CO 0.03 -0.78 0.00 0.09 -0.54 0.00 0.00 175.26 174.06 2ki8 n ASN 16 N -2.30 -0.80 -4.09 -1.70 3.02 -1.26 -5.10 115.26 103.03 2ki8 n ASN 16 Ca 0.11 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.48 2ki8 n ASN 16 Cb 0.60 0.65 -0.13 0.00 -0.61 0.00 0.00 39.78 40.29 2ki8 n ASN 16 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2ki8 s LEU 17 N -1.15 2.15 -0.50 3.41 1.98 -1.26 -5.11 118.68 118.18 2ki8 s LEU 17 Ca 0.00 -0.39 -0.29 0.00 -2.89 0.00 0.00 54.13 50.57 2ki8 s LEU 17 Cb 0.00 -0.45 0.03 0.00 0.66 0.00 0.00 46.19 46.43 2ki8 s LEU 17 CO 0.00 0.00 1.15 -0.31 -1.89 0.00 0.00 176.35 175.30 2ki8 s TYR 18 N -0.77 2.76 0.22 5.38 2.02 -1.26 -5.02 117.35 120.68 2ki8 s TYR 18 Ca -0.00 0.63 -0.05 0.00 -0.37 0.00 0.00 57.07 57.28 2ki8 s TYR 18 Cb -0.07 -4.46 -0.06 0.00 -0.40 0.00 0.00 41.96 36.97 2ki8 s TYR 18 CO 0.01 -1.35 0.48 0.12 -1.57 0.00 0.00 175.55 173.23 2ki8 s PHE 19 N 4.58 3.46 -0.05 2.71 5.36 -1.26 -5.11 117.98 127.69 2ki8 s PHE 19 Ca 0.47 0.63 -0.02 0.00 -0.96 0.00 0.00 56.93 57.05 2ki8 s PHE 19 Cb -0.07 -2.08 0.04 0.00 -0.34 0.00 0.00 43.02 40.57 2ki8 s PHE 19 CO 0.30 0.30 0.10 -1.14 -1.46 0.00 0.00 175.22 173.32 2ki8 s GLN 20 N -3.07 0.03 -0.30 10.12 0.74 -1.26 -5.12 119.66 120.79 2ki8 s GLN 20 Ca 0.43 0.31 -0.15 0.00 0.05 0.00 0.00 55.36 56.00 2ki8 s GLN 20 Cb -0.11 -0.22 0.18 0.00 1.10 0.00 0.00 33.01 33.95 2ki8 s GLN 20 CO 0.26 -0.18 1.15 0.20 -0.55 0.00 0.00 175.29 176.17 2ki8 s GLY 21 N 1.22 -0.67 -0.33 2.59 0.00 -1.26 -5.14 107.32 103.73 2ki8 s GLY 21 Ca -0.08 2.51 -0.02 0.00 0.00 0.00 0.00 44.72 47.13 2ki8 s GLY 21 CO -0.05 4.12 0.84 -1.58 0.00 0.00 0.00 173.10 176.44 2ki8 s HIS 22 N 2.98 -1.09 0.54 1.90 5.04 -1.26 -5.17 115.29 118.24 2ki8 s HIS 22 Ca 0.21 0.40 -0.02 0.00 -1.54 0.00 0.00 55.06 54.11 2ki8 s HIS 22 Cb -0.03 0.19 0.01 0.00 0.04 0.00 0.00 32.58 32.80 2ki8 s HIS 22 CO -0.18 -0.68 0.80 0.00 -2.34 0.00 0.00 174.74 172.33 2ki8 s MET 23 N 2.40 2.85 0.07 2.88 0.23 -1.26 -4.48 119.30 122.00 2ki8 s MET 23 Ca 0.17 -0.34 0.06 0.00 -1.03 0.00 0.00 55.69 54.56 2ki8 s MET 23 Cb -0.03 -2.41 -0.03 0.00 -1.53 0.00 0.00 34.83 30.83 2ki8 s MET 23 CO -0.18 -0.58 -0.17 -0.51 -2.03 0.00 0.00 175.02 171.55 2ki8 s LEU 24 N -4.81 2.24 -0.23 0.18 1.43 -0.69 -4.99 118.68 111.82 2ki8 s LEU 24 Ca 0.53 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 52.84 2ki8 s LEU 24 Cb -0.10 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.36 2ki8 s LEU 24 CO 0.41 0.03 0.57 -1.61 0.23 0.00 0.00 176.35 175.98 2ki8 s GLU 25 N -1.58 4.15 0.08 1.70 2.02 -1.26 -0.81 118.70 122.99 2ki8 s GLU 25 Ca 0.03 0.47 0.02 0.00 0.02 0.00 0.00 54.97 55.50 2ki8 s GLU 25 Cb -0.09 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 2ki8 s GLU 25 CO 0.03 -0.28 -0.06 0.14 0.02 0.00 0.00 175.26 175.10 2ki8 s VAL 26 N 2.06 0.60 -0.34 2.63 -7.23 -0.14 -4.65 120.40 113.33 2ki8 s VAL 26 Ca 0.25 -1.73 -0.13 0.00 -1.81 0.00 0.00 61.98 58.56 2ki8 s VAL 26 Cb -0.16 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 2ki8 s VAL 26 CO 0.09 -0.78 0.25 -0.70 -0.31 0.00 0.00 175.10 173.65 2ki8 s GLU 27 N -3.34 3.48 -0.33 4.82 2.12 -0.72 -0.16 118.70 124.57 2ki8 s GLU 27 Ca 0.06 -0.65 -0.22 0.00 0.36 0.00 0.00 54.97 54.53 2ki8 s GLU 27 Cb 0.02 -3.81 -0.00 0.00 0.26 0.00 0.00 34.13 30.60 2ki8 s GLU 27 CO -0.04 -0.46 0.70 0.08 -0.54 0.00 0.00 175.26 175.00 2ki8 s VAL 28 N 1.73 4.85 0.19 3.70 1.01 0.17 -1.17 120.40 130.88 2ki8 s VAL 28 Ca 0.06 0.87 0.04 0.00 0.00 0.00 0.00 61.98 62.96 2ki8 s VAL 28 Cb -0.17 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2ki8 s VAL 28 CO 0.11 -0.26 0.25 -0.63 0.00 0.00 0.00 175.10 174.56 2ki8 s ILE 29 N 2.81 4.95 -0.28 2.22 1.01 -0.26 0.25 121.20 131.89 2ki8 s ILE 29 Ca 0.28 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.98 2ki8 s ILE 29 Cb -0.14 -3.59 0.08 0.00 0.01 0.00 0.00 42.46 38.82 2ki8 s ILE 29 CO 0.14 -0.18 0.03 -0.44 0.00 0.00 0.00 174.94 174.48 2ki8 s SER 30 N -3.43 4.07 0.21 3.58 0.01 -1.24 -0.53 113.70 116.37 2ki8 s SER 30 Ca 0.33 -1.54 0.01 0.00 1.31 0.00 0.00 55.95 56.07 2ki8 s SER 30 Cb -0.10 -1.15 -0.04 0.00 0.21 0.00 0.00 66.02 64.94 2ki8 s SER 30 CO 0.27 -0.33 0.37 -0.83 0.41 0.00 0.00 173.24 173.12 2ki8 s GLY 31 N 1.38 1.62 -1.33 3.44 0.00 -0.93 -4.58 107.32 106.92 2ki8 s GLY 31 Ca 0.03 -0.97 -0.16 0.00 0.00 0.00 0.00 44.72 43.62 2ki8 s GLY 31 CO -0.13 -0.95 2.06 -0.96 0.00 0.00 0.00 173.10 173.13 2ki8 n ARG 32 N -0.86 2.74 0.06 2.90 1.85 -1.26 -0.84 116.66 121.25 2ki8 n ARG 32 Ca -0.06 -2.68 -0.20 0.00 -1.00 0.00 0.00 57.85 53.91 2ki8 n ARG 32 Cb 0.55 -3.32 -0.10 0.00 -1.05 0.00 0.00 32.46 28.53 2ki8 n ARG 32 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 2ki8 h THR 33 N 4.53 1.30 -1.97 8.89 1.35 -1.95 -3.46 112.91 121.60 2ki8 h THR 33 Ca 0.51 -2.35 -0.51 0.00 -0.55 0.00 0.00 66.41 63.51 2ki8 h THR 33 Cb 0.71 2.48 -0.05 0.00 -1.73 0.00 0.00 68.15 69.56 2ki8 h THR 33 CO 1.76 0.72 -0.49 -0.76 -0.25 0.00 0.00 175.52 176.50 2ki8 s LEU 34 N -7.97 3.59 -0.27 3.87 1.43 -1.26 -5.07 118.68 113.00 2ki8 s LEU 34 Ca -0.09 -0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 52.26 2ki8 s LEU 34 Cb 0.07 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 2ki8 s LEU 34 CO 0.92 -0.23 1.89 0.21 0.23 0.00 0.00 176.35 179.36 2ki8 s ASN 35 N -3.91 5.87 -0.47 2.29 3.84 -1.26 -4.94 114.94 116.36 2ki8 s ASN 35 Ca 0.38 1.55 -0.28 0.00 0.21 0.00 0.00 52.86 54.72 2ki8 s ASN 35 Cb -0.06 -2.52 -0.01 0.00 -0.55 0.00 0.00 41.25 38.11 2ki8 s ASN 35 CO 0.25 -1.69 1.67 -1.10 -2.79 0.00 0.00 177.10 173.44 2ki8 s GLN 36 N 5.65 3.17 0.00 0.43 -0.21 -1.26 -3.69 119.66 123.75 2ki8 s GLN 36 Ca 0.84 0.91 0.00 0.00 0.02 0.00 0.00 55.36 57.13 2ki8 s GLN 36 Cb -0.26 -4.21 0.00 0.00 1.00 0.00 0.00 33.01 29.54 2ki8 s GLN 36 CO 0.34 -2.07 0.00 0.41 -2.12 0.00 0.00 175.29 171.85 2ki8 n GLY 37 N 5.41 1.11 3.70 3.09 0.00 -1.26 -5.12 105.19 112.11 2ki8 n GLY 37 Ca 0.19 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 3.43 0.79 4.61 0.00 -1.24 -5.07 121.76 124.28 2ki8 s ALA 38 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 2ki8 s ALA 38 Cb 0.00 -2.93 0.07 0.00 0.00 0.00 0.00 23.12 20.26 2ki8 s ALA 38 CO 0.00 -0.25 1.09 0.95 0.00 0.00 0.00 175.76 177.55 2ki8 s THR 39 N 1.16 3.25 0.46 0.00 -4.23 -1.26 -4.84 115.64 110.17 2ki8 s THR 39 Ca 0.33 0.40 0.15 0.00 -1.18 0.00 0.00 61.69 61.40 2ki8 s THR 39 Cb -0.17 -2.95 0.33 0.00 1.34 0.00 0.00 72.50 71.05 2ki8 s THR 39 CO 0.14 -0.53 2.01 1.62 -0.54 0.00 0.00 174.62 177.33 2ki8 h VAL 40 N -1.17 0.90 -0.53 2.29 3.04 -1.97 0.81 116.25 119.62 2ki8 h VAL 40 Ca -0.45 -0.10 -0.03 0.00 -1.01 0.00 0.00 66.70 65.10 2ki8 h VAL 40 Cb 1.24 0.57 -0.03 0.00 -2.01 0.00 0.00 31.29 31.07 2ki8 h VAL 40 CO 0.54 0.06 0.21 -0.08 -1.01 0.00 0.00 177.57 177.28 2ki8 h GLU 41 N 0.31 0.76 -0.37 4.17 4.81 -1.99 0.20 114.58 122.47 2ki8 h GLU 41 Ca 0.23 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2ki8 h GLU 41 Cb 0.49 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2ki8 h GLU 41 CO -0.05 0.63 -0.07 0.93 -0.73 0.00 0.00 179.01 179.71 2ki8 h GLU 42 N 0.75 0.61 -0.67 1.92 4.39 -1.21 -3.31 114.58 117.06 2ki8 h GLU 42 Ca 0.18 -0.17 -0.48 0.00 0.34 0.00 0.00 59.36 59.23 2ki8 h GLU 42 Cb 0.15 -0.07 -0.36 0.00 -0.10 0.00 0.00 28.75 28.37 2ki8 h GLU 42 CO -0.02 0.68 -0.64 1.63 -1.16 0.00 0.00 179.01 179.51 2ki8 n LYS 43 N -4.21 3.26 -1.88 2.33 5.02 -0.55 -4.97 118.16 117.15 2ki8 n LYS 43 Ca 0.01 -3.98 -0.23 0.00 -2.02 0.00 0.00 58.31 52.10 2ki8 n LYS 43 Cb 0.31 -2.19 -0.08 0.00 -0.02 0.00 0.00 35.03 33.05 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 -3.56 2.84 0.09 -0.35 1.43 0.59 -4.57 118.68 115.15 2ki8 s LEU 44 Ca 0.50 -1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 2ki8 s LEU 44 Cb 0.41 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2ki8 s LEU 44 CO 0.02 -3.62 0.09 0.28 0.23 0.00 0.00 176.35 173.35 2ki8 s THR 45 N 13.06 0.16 0.45 5.49 -1.32 -1.26 -5.04 115.64 127.18 2ki8 s THR 45 Ca 0.75 -1.59 0.17 0.00 -1.21 0.00 0.00 61.69 59.81 2ki8 s THR 45 Cb -0.04 -1.61 0.21 0.00 -1.51 0.00 0.00 72.50 69.56 2ki8 s THR 45 CO 0.12 -0.71 2.03 -0.08 -2.21 0.00 0.00 174.62 173.77 2ki8 h GLU 46 N 2.90 0.00 -0.87 7.08 4.57 -2.01 -1.72 114.58 124.53 2ki8 h GLU 46 Ca -0.34 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 57.93 2ki8 h GLU 46 Cb 1.18 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.70 2ki8 h GLU 46 CO 0.60 0.15 0.52 0.93 -1.18 0.00 0.00 179.01 180.03 2ki8 h GLU 47 N 0.00 0.85 -0.57 1.92 5.08 -1.96 -1.78 114.58 118.12 2ki8 h GLU 47 Ca -0.00 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2ki8 h GLU 47 Cb 0.29 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2ki8 h GLU 47 CO 0.02 0.56 0.10 -0.92 -1.00 0.00 0.00 179.01 177.77 2ki8 h TYR 48 N 0.87 0.95 0.29 4.33 5.03 -1.55 -2.76 116.97 124.13 2ki8 h TYR 48 Ca 0.42 -0.11 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 2ki8 h TYR 48 Cb 0.35 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.37 2ki8 h TYR 48 CO -0.04 0.81 -0.14 0.35 -1.32 0.00 0.00 178.16 177.82 2ki8 h PHE 49 N 0.86 -0.36 -0.07 -3.82 3.04 -1.29 -2.96 116.94 112.35 2ki8 h PHE 49 Ca 0.18 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.14 2ki8 h PHE 49 Cb 0.37 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 2ki8 h PHE 49 CO 0.02 -0.22 0.23 -0.91 -2.02 0.00 0.00 178.31 175.41 2ki8 h ASN 50 N -0.42 0.00 0.52 0.41 2.35 -1.45 -1.63 115.58 115.36 2ki8 h ASN 50 Ca -0.04 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.42 2ki8 h ASN 50 Cb 0.29 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.68 2ki8 h ASN 50 CO 0.06 0.00 -1.34 0.00 -1.65 0.00 0.00 177.43 174.50 2ki8 h ALA 51 N 1.62 0.06 -0.10 -0.83 0.00 -1.46 -3.38 119.26 115.18 2ki8 h ALA 51 Ca 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2ki8 h ALA 51 Cb 0.48 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ki8 h ALA 51 CO -0.00 0.94 0.00 1.33 0.00 0.00 0.00 179.25 181.52 2ki8 n VAL 52 N -3.56 1.79 -1.14 0.00 0.24 -0.68 -4.69 118.33 110.29 2ki8 n VAL 52 Ca -0.12 -1.87 -0.09 0.00 -2.04 0.00 0.00 64.34 60.22 2ki8 n VAL 52 Cb 1.05 -0.07 0.26 0.00 -1.47 0.00 0.00 33.84 33.60 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 -0.89 4.22 -3.93 -1.34 3.02 -0.83 -4.71 115.26 110.79 2ki8 n ASN 53 Ca 0.15 -3.37 -0.09 0.00 -0.03 0.00 0.00 54.58 51.23 2ki8 n ASN 53 Cb 0.63 -0.74 -0.07 0.00 -0.61 0.00 0.00 39.78 38.99 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 -3.09 0.34 -0.04 3.10 1.13 -1.26 -0.94 117.35 116.58 2ki8 s TYR 54 Ca 0.53 -0.71 0.03 0.00 -1.41 0.00 0.00 57.07 55.51 2ki8 s TYR 54 Cb 0.44 -0.04 0.00 0.00 -1.10 0.00 0.00 41.96 41.26 2ki8 s TYR 54 CO 0.11 -0.69 -0.12 0.00 -2.51 0.00 0.00 175.55 172.33 2ki8 s ALA 55 N -3.95 1.19 -0.22 9.51 0.00 -0.11 -4.25 121.76 123.93 2ki8 s ALA 55 Ca 0.15 -0.46 -0.21 0.00 0.00 0.00 0.00 51.96 51.43 2ki8 s ALA 55 Cb 0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 2ki8 s ALA 55 CO -0.02 0.17 0.66 -1.21 0.00 0.00 0.00 175.76 175.36 2ki8 s GLU 56 N 0.30 4.18 0.12 0.00 2.02 1.00 -0.95 118.70 125.36 2ki8 s GLU 56 Ca -0.07 0.65 0.10 0.00 0.02 0.00 0.00 54.97 55.67 2ki8 s GLU 56 Cb -0.12 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 2ki8 s GLU 56 CO 0.02 -0.33 -0.23 0.42 0.02 0.00 0.00 175.26 175.16 2ki8 s ILE 57 N 2.23 2.54 0.60 -1.63 1.01 0.12 -1.59 121.20 124.49 2ki8 s ILE 57 Ca 0.29 -1.63 -0.16 0.00 0.00 0.00 0.00 60.65 59.15 2ki8 s ILE 57 Cb -0.16 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2ki8 s ILE 57 CO 0.09 0.10 1.08 0.21 0.00 0.00 0.00 174.94 176.42 2ki8 s ASN 58 N -2.08 5.59 0.18 3.58 3.84 -1.26 -1.16 114.94 123.63 2ki8 s ASN 58 Ca 0.16 1.91 -0.13 0.00 0.21 0.00 0.00 52.86 55.01 2ki8 s ASN 58 Cb -0.10 -2.54 0.15 0.00 -0.55 0.00 0.00 41.25 38.20 2ki8 s ASN 58 CO 0.08 -1.30 1.77 -0.08 -2.79 0.00 0.00 177.10 174.78 2ki8 h GLU 59 N 0.44 0.43 0.33 0.43 4.57 -1.86 0.16 114.58 119.07 2ki8 h GLU 59 Ca -0.47 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2ki8 h GLU 59 Cb 1.23 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 2ki8 h GLU 59 CO 0.56 0.28 -0.30 0.93 -1.18 0.00 0.00 179.01 179.30 2ki8 h GLU 60 N 0.44 -0.63 -0.57 1.92 4.39 -1.97 -1.72 114.58 116.44 2ki8 h GLU 60 Ca 0.23 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 2ki8 h GLU 60 Cb 0.18 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 2ki8 h GLU 60 CO -0.19 -0.42 0.28 -0.44 -1.16 0.00 0.00 179.01 177.08 2ki8 h ASP 61 N -0.66 0.71 0.14 1.42 5.19 -1.90 -0.27 116.42 121.05 2ki8 h ASP 61 Ca -0.02 -0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.34 2ki8 h ASP 61 Cb 0.59 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.89 2ki8 h ASP 61 CO -0.05 0.60 -0.22 -0.25 -3.12 0.00 0.00 179.24 176.21 2ki8 h TRP 62 N 0.79 -0.57 0.00 4.55 2.91 -0.35 -1.77 115.95 121.51 2ki8 h TRP 62 Ca 0.20 0.01 -0.12 0.00 1.13 0.00 0.00 58.89 60.10 2ki8 h TRP 62 Cb 0.07 0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 28.94 2ki8 h TRP 62 CO 0.01 -0.32 -0.60 -0.91 -1.03 0.00 0.00 178.44 175.60 2ki8 h ASN 63 N -0.42 0.00 -0.05 2.65 2.35 -1.12 -1.41 115.58 117.58 2ki8 h ASN 63 Ca 0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2ki8 h ASN 63 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2ki8 h ASN 63 CO -0.10 0.60 -0.06 0.00 -1.65 0.00 0.00 177.43 176.21 2ki8 h ALA 64 N 1.40 1.57 -0.01 -0.83 0.00 -0.80 -1.54 119.26 119.06 2ki8 h ALA 64 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ki8 h ALA 64 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2ki8 h ALA 64 CO 0.08 0.31 -0.27 1.28 0.00 0.00 0.00 179.25 180.65 2ki8 n LEU 65 N -4.33 1.16 -3.36 0.00 4.77 -0.69 -4.79 117.00 109.77 2ki8 n LEU 65 Ca -0.00 -0.33 -0.19 0.00 -0.03 0.00 0.00 56.01 55.46 2ki8 n LEU 65 Cb 0.22 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.29 2ki8 n LEU 65 CO 0.37 0.22 0.15 0.61 -1.33 0.00 0.00 177.39 177.41 2ki8 n GLY 66 N 1.34 -0.38 3.88 -0.72 0.00 -0.58 -4.74 105.19 103.99 2ki8 n GLY 66 Ca 0.12 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 2ki8 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ki8 s LEU 67 N -6.46 3.71 0.04 0.99 1.43 -0.57 -5.03 118.68 112.79 2ki8 s LEU 67 Ca 0.21 1.15 0.06 0.00 -1.03 0.00 0.00 54.13 54.52 2ki8 s LEU 67 Cb -0.09 -4.07 -0.02 0.00 0.03 0.00 0.00 46.19 42.04 2ki8 s LEU 67 CO 0.69 -0.50 -0.17 -1.58 0.23 0.00 0.00 176.35 175.02 2ki8 s GLN 68 N -4.21 1.11 -0.50 1.70 0.74 -1.26 -4.87 119.66 112.37 2ki8 s GLN 68 Ca 0.51 -0.83 -0.26 0.00 0.05 0.00 0.00 55.36 54.83 2ki8 s GLN 68 Cb -0.10 -1.16 -0.06 0.00 1.10 0.00 0.00 33.01 32.78 2ki8 s GLN 68 CO 0.37 0.29 2.30 -1.21 -0.55 0.00 0.00 175.29 176.49 2ki8 s GLU 69 N -1.15 2.23 0.00 1.67 2.02 -1.26 -0.90 118.70 121.31 2ki8 s GLU 69 Ca 0.04 1.28 0.00 0.00 0.02 0.00 0.00 54.97 56.31 2ki8 s GLU 69 Cb -0.08 -4.54 0.00 0.00 0.10 0.00 0.00 34.13 29.61 2ki8 s GLU 69 CO 0.01 -3.14 0.00 0.41 0.02 0.00 0.00 175.26 172.57 2ki8 n GLY 70 N 5.94 0.88 3.75 -1.39 0.00 -1.24 -5.11 105.19 108.03 2ki8 n GLY 70 Ca 0.33 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 2ki8 n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ki8 s ASP 71 N -0.85 4.39 -0.21 1.61 1.01 -0.08 -4.80 116.67 117.75 2ki8 s ASP 71 Ca 0.00 1.94 -0.09 0.00 0.71 0.00 0.00 52.55 55.12 2ki8 s ASP 71 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2ki8 s ASP 71 CO 0.00 -2.12 0.10 -0.13 0.21 0.00 0.00 175.17 173.24 2ki8 s ARG 72 N -4.64 4.02 0.12 8.23 0.52 -1.26 -0.95 118.95 124.98 2ki8 s ARG 72 Ca 0.64 -0.31 0.09 0.00 -0.52 0.00 0.00 55.73 55.63 2ki8 s ARG 72 Cb -0.19 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 2ki8 s ARG 72 CO 0.53 0.18 -0.23 0.14 0.02 0.00 0.00 175.30 175.93 2ki8 s VAL 73 N 0.68 1.91 -0.07 3.52 -7.23 0.11 -1.21 120.40 118.11 2ki8 s VAL 73 Ca 0.06 -1.64 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 2ki8 s VAL 73 Cb -0.13 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 2ki8 s VAL 73 CO 0.01 -0.02 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.89 2ki8 s LYS 74 N -2.00 2.74 -0.21 4.82 2.20 0.15 -0.59 119.74 126.85 2ki8 s LYS 74 Ca 0.09 -0.71 -0.05 0.00 -0.36 0.00 0.00 55.97 54.95 2ki8 s LYS 74 Cb -0.10 -2.43 -0.02 0.00 -1.51 0.00 0.00 37.83 33.77 2ki8 s LYS 74 CO 0.05 0.50 -0.02 0.08 -0.36 0.00 0.00 175.35 175.60 2ki8 s VAL 75 N -0.40 3.69 -0.21 4.02 1.01 -0.37 -2.02 120.40 126.12 2ki8 s VAL 75 Ca 0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 2ki8 s VAL 75 Cb -0.12 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 2ki8 s VAL 75 CO 0.02 0.42 -0.04 -0.54 0.00 0.00 0.00 175.10 174.96 2ki8 s LYS 76 N 1.28 3.40 0.38 2.72 3.01 0.38 -2.25 119.74 128.66 2ki8 s LYS 76 Ca 0.04 -0.62 0.01 0.00 -1.01 0.00 0.00 55.97 54.39 2ki8 s LYS 76 Cb -0.14 -3.00 -0.00 0.00 -1.01 0.00 0.00 37.83 33.67 2ki8 s LYS 76 CO -0.00 -0.16 0.03 0.25 0.51 0.00 0.00 175.35 175.98 2ki8 n THR 77 N 4.69 0.00 0.50 2.17 -2.24 0.13 0.33 114.28 119.86 2ki8 n THR 77 Ca -0.18 -1.87 0.09 0.00 -2.27 0.00 0.00 64.05 59.82 2ki8 n THR 77 Cb 0.51 0.44 0.37 0.00 -2.10 0.00 0.00 70.33 69.56 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 -0.92 0.05 -0.11 -0.78 0.28 -1.26 -3.43 120.64 114.46 2ki8 n GLU 78 Ca -0.14 0.28 -0.25 0.00 -0.16 0.00 0.00 57.16 56.89 2ki8 n GLU 78 Cb 0.50 -1.60 -0.11 0.00 1.43 0.00 0.00 31.44 31.66 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 -1.69 0.57 -2.00 -1.84 3.72 -1.26 -5.11 117.46 109.84 2ki8 n PHE 79 Ca 0.03 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 2ki8 n PHE 79 Cb 0.20 -1.06 0.00 0.00 -0.94 0.00 0.00 39.48 37.68 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 1.45 1.87 3.42 1.37 0.00 -1.04 -4.90 105.19 107.35 2ki8 n GLY 80 Ca -0.42 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 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 1.57 0.67 -0.00 1.61 -1.05 -1.26 -0.70 118.70 119.54 2ki8 s GLU 81 Ca 0.00 0.61 -0.08 0.00 -0.15 0.00 0.00 54.97 55.35 2ki8 s GLU 81 Cb 0.00 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 2ki8 s GLU 81 CO 0.00 -0.11 0.15 0.54 0.95 0.00 0.00 175.26 176.80 2ki8 s VAL 82 N -0.01 0.08 -0.28 1.83 0.11 -0.95 -4.93 120.40 116.24 2ki8 s VAL 82 Ca -0.02 -0.64 -0.08 0.00 -2.93 0.00 0.00 61.98 58.31 2ki8 s VAL 82 Cb -0.03 -0.44 -0.01 0.00 -1.53 0.00 0.00 36.38 34.36 2ki8 s VAL 82 CO 0.02 -0.35 0.11 -0.69 -3.33 0.00 0.00 175.10 170.86 2ki8 s VAL 83 N -1.30 4.42 0.42 2.04 1.01 -1.26 -1.24 120.40 124.48 2ki8 s VAL 83 Ca -0.14 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.53 2ki8 s VAL 83 Cb -0.07 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 2ki8 s VAL 83 CO 0.02 0.18 0.10 0.68 0.00 0.00 0.00 175.10 176.08 2ki8 s VAL 84 N 1.60 0.74 0.25 2.92 -7.23 0.24 -2.46 120.40 116.46 2ki8 s VAL 84 Ca 0.05 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.98 2ki8 s VAL 84 Cb -0.16 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.35 2ki8 s VAL 84 CO 0.05 0.00 0.84 -0.36 -0.31 0.00 0.00 175.10 175.32 2ki8 s PHE 85 N -3.15 3.77 -0.24 2.82 0.08 -0.12 -0.71 117.98 120.43 2ki8 s PHE 85 Ca 0.21 1.65 -0.19 0.00 0.12 0.00 0.00 56.93 58.72 2ki8 s PHE 85 Cb 0.03 -2.80 -0.03 0.00 -0.57 0.00 0.00 43.02 39.65 2ki8 s PHE 85 CO 0.13 0.35 0.56 0.00 -0.10 0.00 0.00 175.22 176.15 2ki8 s ALA 86 N -1.43 3.58 0.13 5.36 0.00 -0.13 -0.93 121.76 128.34 2ki8 s ALA 86 Ca 0.44 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.97 2ki8 s ALA 86 Cb -0.20 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2ki8 s ALA 86 CO 0.25 -0.66 -0.11 0.15 0.00 0.00 0.00 175.76 175.39 2ki8 s LYS 87 N 2.14 0.99 -0.04 0.00 1.02 -0.13 -3.61 119.74 120.12 2ki8 s LYS 87 Ca 0.24 -1.33 -0.11 0.00 0.02 0.00 0.00 55.97 54.79 2ki8 s LYS 87 Cb -0.16 -0.65 -0.05 0.00 -0.52 0.00 0.00 37.83 36.46 2ki8 s LYS 87 CO 0.09 0.09 0.30 0.21 -0.92 0.00 0.00 175.35 175.13 2ki8 s LYS 88 N -3.27 3.72 0.15 1.68 2.20 -1.26 0.12 119.74 123.09 2ki8 s LYS 88 Ca 0.12 0.18 0.03 0.00 -0.36 0.00 0.00 55.97 55.94 2ki8 s LYS 88 Cb -0.00 -3.19 -0.01 0.00 -1.51 0.00 0.00 37.83 33.11 2ki8 s LYS 88 CO 0.01 0.72 0.14 0.41 -0.36 0.00 0.00 175.35 176.27 2ki8 n GLY 89 N 1.79 3.41 1.95 5.54 0.00 -0.31 -4.65 105.19 112.92 2ki8 n GLY 89 Ca -0.16 -1.74 -0.19 0.00 0.00 0.00 0.00 46.02 43.93 2ki8 n GLY 89 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ki8 n ASP 90 N -2.33 4.34 -4.89 1.61 8.00 -1.26 -4.56 116.55 117.46 2ki8 n ASP 90 Ca 0.03 -3.24 -0.30 0.00 0.71 0.00 0.00 54.79 51.99 2ki8 n ASP 90 Cb 0.28 -0.81 -0.04 0.00 -0.02 0.00 0.00 41.12 40.53 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 -2.67 4.94 0.90 2.53 -7.23 -1.26 -5.09 120.40 112.52 2ki8 s VAL 91 Ca 0.43 0.35 -0.11 0.00 -1.81 0.00 0.00 61.98 60.83 2ki8 s VAL 91 Cb 0.36 -3.68 0.13 0.00 0.56 0.00 0.00 36.38 33.75 2ki8 s VAL 91 CO 0.06 -0.23 1.09 -2.84 -0.31 0.00 0.00 175.10 172.87 2ki8 s PRO 92 N -3.25 1.21 0.41 4.82 0.02 -1.26 -4.35 135.00 132.60 2ki8 s PRO 92 Ca 0.47 1.00 -0.26 0.00 0.02 0.00 0.00 61.00 62.23 2ki8 s PRO 92 Cb -0.11 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.54 2ki8 s PRO 92 CO 0.26 -2.32 1.27 0.21 -0.33 0.00 0.00 177.00 176.09 2ki8 s LYS 93 N -4.84 3.98 -1.13 5.54 2.20 -1.26 -2.60 119.74 121.62 2ki8 s LYS 93 Ca 0.64 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 58.32 2ki8 s LYS 93 Cb -0.19 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 2ki8 s LYS 93 CO 0.58 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 2ki8 n GLY 94 N 0.67 1.04 3.21 5.54 0.00 -1.26 -5.01 105.19 109.38 2ki8 n GLY 94 Ca 0.04 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.16 0.37 0.03 1.61 0.00 -1.07 -1.75 119.30 115.33 2ki8 s MET 95 Ca 0.00 0.54 0.04 0.00 0.00 0.00 0.00 55.69 56.27 2ki8 s MET 95 Cb 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 34.83 34.91 2ki8 s MET 95 CO 0.00 -0.09 -0.11 0.96 0.00 0.00 0.00 175.02 175.78 2ki8 s ILE 96 N 0.58 0.88 -0.19 10.11 -4.36 -0.31 -4.40 121.20 123.51 2ki8 s ILE 96 Ca -0.03 -0.87 -0.08 0.00 -0.26 0.00 0.00 60.65 59.41 2ki8 s ILE 96 Cb -0.05 -0.81 -0.04 0.00 1.25 0.00 0.00 42.46 42.81 2ki8 s ILE 96 CO -0.03 -0.04 0.08 0.12 0.24 0.00 0.00 174.94 175.31 2ki8 s PHE 97 N -0.81 3.29 -0.07 1.37 2.19 -0.62 -1.10 117.98 122.23 2ki8 s PHE 97 Ca -0.00 0.13 0.03 0.00 0.33 0.00 0.00 56.93 57.41 2ki8 s PHE 97 Cb -0.07 -2.11 0.01 0.00 -1.31 0.00 0.00 43.02 39.54 2ki8 s PHE 97 CO 0.01 0.17 -0.16 0.42 1.83 0.00 0.00 175.22 177.49 2ki8 s ILE 98 N 0.41 1.41 0.05 3.12 1.01 0.32 -0.00 121.20 127.52 2ki8 s ILE 98 Ca 0.04 -0.66 -0.35 0.00 0.00 0.00 0.00 60.65 59.69 2ki8 s ILE 98 Cb -0.12 -1.24 -0.14 0.00 0.01 0.00 0.00 42.46 40.97 2ki8 s ILE 98 CO -0.00 0.41 1.66 -2.65 0.00 0.00 0.00 174.94 174.36 2ki8 n PRO 99 N 3.56 2.01 -1.53 2.79 -0.02 -1.26 -2.19 135.00 138.36 2ki8 n PRO 99 Ca -0.21 0.73 -0.37 0.00 -2.02 0.00 0.00 63.50 61.63 2ki8 n PRO 99 Cb 0.52 -2.51 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 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 4.43 0.66 -2.73 -0.52 1.56 -0.02 -4.62 117.12 115.88 2ki8 n MET 100 Ca 0.19 -0.02 -0.07 0.00 -0.27 0.00 0.00 57.70 57.54 2ki8 n MET 100 Cb 0.27 -2.76 -0.00 0.00 2.15 0.00 0.00 33.22 32.88 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 6.19 2.16 0.26 -5.12 0.00 -1.26 -4.79 105.19 102.63 2ki8 n GLY 101 Ca 0.48 -1.37 0.11 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 0.24 1.61 0.13 -1.90 0.65 132.00 132.73 2ki8 h PRO 102 Ca -0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 2ki8 h PRO 102 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2ki8 h PRO 102 CO 0.21 0.12 -0.12 1.88 -0.23 0.00 0.00 178.00 179.87 2ki8 h TYR 103 N 0.00 -0.30 -0.38 1.56 -1.99 -1.91 -2.99 116.97 110.96 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 0.29 0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 2ki8 h TYR 103 CO 0.00 0.07 0.17 0.00 -0.00 0.00 0.00 178.16 178.40 2ki8 h ALA 104 N -0.19 1.59 0.00 3.88 0.00 -1.75 -2.27 119.26 120.52 2ki8 h ALA 104 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ki8 h ALA 104 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ki8 h ALA 104 CO 0.05 0.33 0.00 -0.97 0.00 0.00 0.00 179.25 178.66 2ki8 h ASN 105 N 0.53 0.00 1.02 0.00 -1.24 -0.77 0.37 115.58 115.49 2ki8 h ASN 105 Ca 0.13 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 57.00 2ki8 h ASN 105 Cb 0.07 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 2ki8 h ASN 105 CO -0.02 0.00 -0.69 0.24 -1.29 0.00 0.00 177.43 175.68 2ki8 h MET 106 N 0.00 0.00 0.00 6.67 2.86 -1.27 -3.37 114.93 119.82 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 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2ki8 h MET 106 CO 0.00 0.69 -1.00 1.33 1.06 0.00 0.00 176.91 178.99 2ki8 n VAL 107 N -3.44 0.00 -2.67 -2.22 0.24 0.15 -2.51 118.33 107.88 2ki8 n VAL 107 Ca 0.00 -0.15 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 2ki8 n VAL 107 Cb 0.75 0.52 0.06 0.00 -1.47 0.00 0.00 33.84 33.70 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 -1.54 0.00 -4.00 1.34 -5.35 0.11 -4.46 119.36 105.45 2ki8 n ILE 108 Ca -0.00 -1.08 -0.34 0.00 -0.27 0.00 0.00 62.75 61.05 2ki8 n ILE 108 Cb 0.10 -0.93 -0.15 0.00 -1.74 0.00 0.00 39.64 36.92 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 -3.48 4.07 -0.03 7.28 2.15 -1.26 -4.91 116.67 120.49 2ki8 s ASP 109 Ca 0.41 -0.85 0.03 0.00 0.43 0.00 0.00 52.55 52.57 2ki8 s ASP 109 Cb -0.03 -1.62 0.13 0.00 -0.30 0.00 0.00 42.92 41.10 2ki8 s ASP 109 CO 0.27 -0.10 0.78 -0.81 -0.17 0.00 0.00 175.17 175.14 2ki8 n PRO 110 N 4.64 1.56 -0.40 4.34 -0.04 -1.26 -3.90 135.00 139.94 2ki8 n PRO 110 Ca -0.17 -0.49 0.06 0.00 -0.04 0.00 0.00 63.50 62.86 2ki8 n PRO 110 Cb 0.47 -1.51 0.23 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.05 3.24 -2.36 3.54 2.88 -1.26 -4.93 113.62 114.78 2ki8 n SER 111 Ca 0.04 -2.27 -0.03 0.00 -1.33 0.00 0.00 58.87 55.28 2ki8 n SER 111 Cb 0.34 -0.46 0.01 0.00 -0.75 0.00 0.00 64.21 63.36 2ki8 n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2ki8 n THR 112 N 0.67 0.00 -0.65 2.46 -2.24 -1.25 -5.05 114.28 108.22 2ki8 n THR 112 Ca 0.17 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2ki8 n THR 112 Cb 0.61 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2ki8 n THR 112 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2ki8 n ASP 113 N -2.97 -3.53 0.00 3.42 2.03 -1.26 -5.08 116.55 109.16 2ki8 n ASP 113 Ca 0.02 0.76 0.00 0.00 0.52 0.00 0.00 54.79 56.10 2ki8 n ASP 113 Cb 0.08 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 38.97 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 -1.91 -1.19 0.04 0.27 0.00 -1.26 -5.04 105.19 96.10 2ki8 n GLY 114 Ca 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 46.02 46.43 2ki8 n GLY 114 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ki8 h THR 115 N 0.00 0.00 0.00 2.61 1.35 -2.05 -3.51 112.91 111.32 2ki8 h THR 115 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2ki8 h THR 115 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2ki8 h THR 115 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2ki8 n GLY 116 N 1.66 -1.42 0.80 5.82 0.00 -1.26 -5.18 105.19 105.61 2ki8 n GLY 116 Ca -0.01 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2ki8 n GLY 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ki8 n MET 117 N -0.05 -2.15 -0.21 1.61 2.81 -1.26 -4.74 117.12 113.13 2ki8 n MET 117 Ca 0.00 1.65 -0.04 0.00 -1.81 0.00 0.00 57.70 57.50 2ki8 n MET 117 Cb 0.00 -2.03 0.06 0.00 -0.71 0.00 0.00 33.22 30.55 2ki8 n MET 117 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2ki8 h PRO 118 N 0.24 0.70 -4.53 0.03 0.13 -2.06 -3.49 132.00 123.01 2ki8 h PRO 118 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2ki8 h PRO 118 Cb 0.40 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 31.33 2ki8 h PRO 118 CO 0.00 0.47 -1.04 1.04 -0.23 0.00 0.00 178.00 178.23 2ki8 n GLN 119 N -4.74 -4.55 -1.57 0.86 1.13 -1.26 -4.77 117.38 102.48 2ki8 n GLN 119 Ca 0.06 3.38 -0.42 0.00 -1.94 0.00 0.00 57.00 58.08 2ki8 n GLN 119 Cb 0.09 -4.41 -0.02 0.00 0.11 0.00 0.00 30.24 26.01 2ki8 n GLN 119 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2ki8 n PHE 120 N 1.62 3.02 -3.82 1.08 3.01 -1.26 -4.83 117.46 116.28 2ki8 n PHE 120 Ca -0.11 -2.58 -0.30 0.00 1.01 0.00 0.00 57.45 55.47 2ki8 n PHE 120 Cb 0.17 -2.29 -0.15 0.00 -0.01 0.00 0.00 39.48 37.20 2ki8 n PHE 120 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2ki8 s LYS 121 N 3.85 0.96 0.22 -1.08 2.36 -1.26 -5.12 119.74 119.67 2ki8 s LYS 121 Ca 0.51 -1.33 0.08 0.00 -2.55 0.00 0.00 55.97 52.68 2ki8 s LYS 121 Cb 0.14 -2.38 -0.04 0.00 -1.05 0.00 0.00 37.83 34.50 2ki8 s LYS 121 CO -0.01 -0.97 0.05 0.20 1.55 0.00 0.00 175.35 176.16 2ki8 s GLY 122 N 1.39 1.63 -0.23 5.54 0.00 -1.26 -4.84 107.32 109.55 2ki8 s GLY 122 Ca 0.10 -1.48 -0.23 0.00 0.00 0.00 0.00 44.72 43.11 2ki8 s GLY 122 CO -0.20 -1.52 0.75 0.14 0.00 0.00 0.00 173.10 172.27 2ki8 s VAL 123 N -2.04 4.91 0.85 1.40 1.01 0.14 -4.69 120.40 121.98 2ki8 s VAL 123 Ca 0.30 1.41 -0.11 0.00 0.00 0.00 0.00 61.98 63.58 2ki8 s VAL 123 Cb -0.08 -4.05 0.10 0.00 0.00 0.00 0.00 36.38 32.36 2ki8 s VAL 123 CO 0.21 -0.01 1.09 -0.54 0.00 0.00 0.00 175.10 175.85 2ki8 s LYS 124 N 2.52 1.64 0.00 2.72 1.02 -1.26 0.42 119.74 126.80 2ki8 s LYS 124 Ca 0.32 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.35 2ki8 s LYS 124 Cb -0.16 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 2ki8 s LYS 124 CO 0.09 -2.04 0.00 0.41 -0.92 0.00 0.00 175.35 172.89 2ki8 n GLY 125 N -1.00 -0.69 3.09 -3.33 0.00 0.77 -4.43 105.19 99.59 2ki8 n GLY 125 Ca 0.08 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.84 0.58 0.03 2.61 -4.23 0.15 -0.97 115.64 109.97 2ki8 s THR 126 Ca 0.00 -1.29 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 2ki8 s THR 126 Cb 0.00 -0.88 -0.02 0.00 1.34 0.00 0.00 72.50 72.94 2ki8 s THR 126 CO 0.00 -0.50 -0.11 0.54 -0.54 0.00 0.00 174.62 174.01 2ki8 s VAL 127 N -1.93 0.87 0.01 2.29 0.11 0.01 -0.47 120.40 121.28 2ki8 s VAL 127 Ca -0.05 -0.82 -0.25 0.00 -2.93 0.00 0.00 61.98 57.94 2ki8 s VAL 127 Cb -0.06 -0.79 0.06 0.00 -1.53 0.00 0.00 36.38 34.05 2ki8 s VAL 127 CO -0.01 -0.01 0.57 -1.83 -3.33 0.00 0.00 175.10 170.50 2ki8 s GLU 128 N -0.93 1.04 0.23 1.54 -1.05 -0.85 -1.71 118.70 116.97 2ki8 s GLU 128 Ca -0.00 -0.06 -0.30 0.00 -0.15 0.00 0.00 54.97 54.46 2ki8 s GLU 128 Cb -0.07 0.48 -0.09 0.00 -0.44 0.00 0.00 34.13 34.02 2ki8 s GLU 128 CO 0.01 -0.36 0.97 0.21 0.95 0.00 0.00 175.26 177.04 2ki8 s LYS 129 N -1.98 4.80 0.05 -4.83 2.20 -1.26 -0.67 119.74 118.04 2ki8 s LYS 129 Ca -0.08 1.54 0.02 0.00 -0.36 0.00 0.00 55.97 57.10 2ki8 s LYS 129 Cb -0.01 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 2ki8 s LYS 129 CO 0.02 0.43 -0.08 -0.08 -0.36 0.00 0.00 175.35 175.28 2ki8 s THR 130 N -1.02 0.57 -1.70 3.43 -1.32 -0.35 -4.86 115.64 110.40 2ki8 s THR 130 Ca 0.42 -1.14 0.31 0.00 -1.21 0.00 0.00 61.69 60.08 2ki8 s THR 130 Cb -0.27 -0.68 0.69 0.00 -1.51 0.00 0.00 72.50 70.73 2ki8 s THR 130 CO 0.33 -0.40 2.12 -0.90 -2.21 0.00 0.00 174.62 173.56 2ki8 n ASP 131 N 1.37 0.04 -4.74 8.08 5.75 -1.26 -4.45 116.55 121.34 2ki8 n ASP 131 Ca -0.22 -0.55 -0.33 0.00 -0.01 0.00 0.00 54.79 53.68 2ki8 n ASP 131 Cb 0.55 -0.15 0.08 0.00 -1.03 0.00 0.00 41.12 40.57 2ki8 n ASP 131 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2ki8 s GLU 132 N -2.31 2.32 0.46 0.11 2.02 -1.26 -5.02 118.70 115.01 2ki8 s GLU 132 Ca 0.37 1.58 -0.20 0.00 0.02 0.00 0.00 54.97 56.74 2ki8 s GLU 132 Cb 0.21 -1.87 -0.10 0.00 0.10 0.00 0.00 34.13 32.47 2ki8 s GLU 132 CO 0.42 -1.66 0.97 -1.59 0.02 0.00 0.00 175.26 173.42 2ki8 s LYS 133 N -4.07 4.09 0.06 1.61 -2.85 -1.26 -4.86 119.74 112.46 2ki8 s LYS 133 Ca 0.70 1.13 -0.31 0.00 -1.00 0.00 0.00 55.97 56.49 2ki8 s LYS 133 Cb -0.25 -2.16 -0.06 0.00 -2.06 0.00 0.00 37.83 33.30 2ki8 s LYS 133 CO 0.45 -0.16 1.33 0.08 0.10 0.00 0.00 175.35 177.16 2ki8 s VAL 134 N -2.24 3.68 0.23 1.79 1.01 -1.26 -4.77 120.40 118.83 2ki8 s VAL 134 Ca 0.62 1.16 -0.31 0.00 0.00 0.00 0.00 61.98 63.46 2ki8 s VAL 134 Cb -0.10 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 32.43 2ki8 s VAL 134 CO 0.18 0.06 1.54 -0.76 0.00 0.00 0.00 175.10 176.11 2ki8 s LEU 135 N 1.55 4.37 0.33 3.92 1.43 -1.03 -4.99 118.68 124.26 2ki8 s LEU 135 Ca 0.62 2.74 -0.28 0.00 -1.03 0.00 0.00 54.13 56.18 2ki8 s LEU 135 Cb -0.32 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.19 2ki8 s LEU 135 CO 0.28 -0.81 1.11 -0.55 0.23 0.00 0.00 176.35 176.61 2ki8 s SER 136 N 0.68 7.01 0.25 2.29 0.15 -1.26 -4.87 113.70 117.96 2ki8 s SER 136 Ca 0.65 2.25 -0.05 0.00 0.70 0.00 0.00 55.95 59.50 2ki8 s SER 136 Cb -0.44 -2.62 0.49 0.00 -1.71 0.00 0.00 66.02 61.74 2ki8 s SER 136 CO 0.40 -0.32 1.64 0.58 1.20 0.00 0.00 173.24 176.74 2ki8 h VAL 137 N 2.78 0.35 -0.21 4.45 2.07 -1.97 0.88 116.25 124.59 2ki8 h VAL 137 Ca -0.47 -0.05 -0.19 0.00 0.82 0.00 0.00 66.70 66.81 2ki8 h VAL 137 Cb 1.22 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2ki8 h VAL 137 CO 0.65 0.02 -0.62 0.50 0.02 0.00 0.00 177.57 178.14 2ki8 h LYS 138 N 0.13 0.79 -0.25 1.57 3.64 -2.01 -3.02 116.57 117.42 2ki8 h LYS 138 Ca 0.44 -0.57 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 2ki8 h LYS 138 Cb 0.79 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 2ki8 h LYS 138 CO -0.65 1.19 -0.09 1.49 -2.27 0.00 0.00 179.45 179.12 2ki8 h GLU 139 N 0.54 0.40 -0.92 1.90 4.81 -1.56 -0.71 114.58 119.05 2ki8 h GLU 139 Ca -0.02 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 59.20 2ki8 h GLU 139 Cb 1.24 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.50 2ki8 h GLU 139 CO 0.13 0.51 0.57 1.25 -0.73 0.00 0.00 179.01 180.74 2ki8 h LEU 140 N 0.38 0.87 -0.19 1.64 6.46 -0.84 0.18 115.31 123.81 2ki8 h LEU 140 Ca 0.08 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 2ki8 h LEU 140 Cb 0.40 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 2ki8 h LEU 140 CO 0.02 0.53 0.13 -0.07 -0.62 0.00 0.00 178.44 178.43 2ki8 h LEU 141 N 0.99 0.22 -0.67 2.25 3.38 -1.02 -2.00 115.31 118.46 2ki8 h LEU 141 Ca 0.42 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2ki8 h LEU 141 Cb 0.28 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2ki8 h LEU 141 CO -0.21 0.16 0.43 -0.33 0.09 0.00 0.00 178.44 178.59 2ki8 h GLU 142 N 0.26 0.89 -0.47 1.13 5.08 -0.88 0.42 114.58 121.01 2ki8 h GLU 142 Ca 0.07 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2ki8 h GLU 142 Cb -0.03 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 2ki8 h GLU 142 CO -0.02 0.61 0.28 0.00 -1.00 0.00 0.00 179.01 178.88 2ki8 h ALA 143 N 1.23 0.60 0.00 3.43 0.00 -0.35 -1.82 119.26 122.36 2ki8 h ALA 143 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2ki8 h ALA 143 Cb -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2ki8 h ALA 143 CO -0.05 -0.03 0.00 0.44 0.00 0.00 0.00 179.25 179.61 2ki8 n ILE 144 N -4.82 0.18 0.00 0.00 -6.64 -0.78 -4.89 119.36 102.41 2ki8 n ILE 144 Ca 0.03 0.05 0.00 0.00 -1.77 0.00 0.00 62.75 61.05 2ki8 n ILE 144 Cb 0.07 -0.60 0.00 0.00 -1.44 0.00 0.00 39.64 37.67 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 1.06 1.13 0.06 3.28 0.00 -0.68 -5.10 105.19 104.93 2ki8 n GLY 145 Ca 0.10 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.21 2ki8 n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06