#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ki8 n GLY 2 N 0.00 1.94 3.04 3.03 0.00 -1.26 -5.06 105.19 106.88 2ki8 n GLY 2 Ca 0.00 -1.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.01 2ki8 n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ki8 s SER 3 N 0.00 -0.61 0.54 1.61 1.04 -1.26 -5.16 113.70 109.86 2ki8 s SER 3 Ca 0.00 0.49 -0.16 0.00 0.48 0.00 0.00 55.95 56.76 2ki8 s SER 3 Cb 0.00 1.65 -0.07 0.00 0.10 0.00 0.00 66.02 67.71 2ki8 s SER 3 CO 0.00 -0.28 1.00 -0.55 0.98 0.00 0.00 173.24 174.39 2ki8 s SER 4 N 2.71 6.44 -0.40 7.02 0.15 -1.26 -5.06 113.70 123.30 2ki8 s SER 4 Ca 0.16 1.60 0.06 0.00 0.70 0.00 0.00 55.95 58.47 2ki8 s SER 4 Cb -0.15 -2.51 0.17 0.00 -1.71 0.00 0.00 66.02 61.83 2ki8 s SER 4 CO -0.20 -0.71 0.55 -1.38 1.20 0.00 0.00 173.24 172.70 2ki8 s HIS 5 N -2.65 -1.29 -0.16 3.44 -0.00 -1.26 -5.13 115.29 108.25 2ki8 s HIS 5 Ca 0.59 -0.07 0.01 0.00 -0.00 0.00 0.00 55.06 55.59 2ki8 s HIS 5 Cb -0.11 0.09 0.00 0.00 -0.00 0.00 0.00 32.58 32.56 2ki8 s HIS 5 CO 0.34 -1.11 -0.17 -1.58 -0.00 0.00 0.00 174.74 172.22 2ki8 s HIS 6 N 1.73 2.76 -0.04 0.38 5.65 -1.26 -5.12 115.29 119.39 2ki8 s HIS 6 Ca 0.16 -1.15 0.02 0.00 0.25 0.00 0.00 55.06 54.34 2ki8 s HIS 6 Cb -0.08 -1.88 0.01 0.00 -1.18 0.00 0.00 32.58 29.45 2ki8 s HIS 6 CO -0.06 -0.53 -0.07 -3.38 -0.65 0.00 0.00 174.74 170.04 2ki8 s HIS 7 N 0.88 0.94 -0.16 3.88 -0.00 -1.26 -5.14 115.29 114.43 2ki8 s HIS 7 Ca -0.04 -0.28 -0.15 0.00 -0.00 0.00 0.00 55.06 54.59 2ki8 s HIS 7 Cb -0.15 -0.74 0.04 0.00 -0.00 0.00 0.00 32.58 31.73 2ki8 s HIS 7 CO -0.02 -0.18 0.43 -1.58 -0.00 0.00 0.00 174.74 173.40 2ki8 s HIS 8 N 0.62 -0.47 0.01 0.38 5.65 -1.26 -5.18 115.29 115.05 2ki8 s HIS 8 Ca -0.10 1.13 -0.00 0.00 0.25 0.00 0.00 55.06 56.33 2ki8 s HIS 8 Cb -0.13 0.16 -0.01 0.00 -1.18 0.00 0.00 32.58 31.43 2ki8 s HIS 8 CO 0.01 -0.24 -0.00 -1.58 -0.65 0.00 0.00 174.74 172.28 2ki8 s HIS 9 N 0.15 0.11 -0.10 3.88 5.04 -1.26 -5.14 115.29 117.97 2ki8 s HIS 9 Ca -0.01 -0.23 -0.04 0.00 -1.54 0.00 0.00 55.06 53.24 2ki8 s HIS 9 Cb -0.03 -0.09 0.05 0.00 0.04 0.00 0.00 32.58 32.55 2ki8 s HIS 9 CO 0.01 -0.10 0.21 -1.01 -2.34 0.00 0.00 174.74 171.51 2ki8 s HIS 10 N -0.71 -0.29 -0.16 3.88 0.09 -1.26 -5.16 115.29 111.69 2ki8 s HIS 10 Ca -0.08 0.75 -0.10 0.00 -0.00 0.00 0.00 55.06 55.63 2ki8 s HIS 10 Cb -0.05 -0.08 0.05 0.00 -0.00 0.00 0.00 32.58 32.50 2ki8 s HIS 10 CO -0.00 -0.27 0.39 -1.54 -0.00 0.00 0.00 174.74 173.32 2ki8 s SER 11 N 1.87 -0.46 -0.18 1.40 1.04 -1.26 -5.17 113.70 110.94 2ki8 s SER 11 Ca -0.03 0.83 -0.12 0.00 0.48 0.00 0.00 55.95 57.11 2ki8 s SER 11 Cb -0.12 0.75 0.06 0.00 0.10 0.00 0.00 66.02 66.81 2ki8 s SER 11 CO -0.07 -0.17 0.45 -0.44 0.98 0.00 0.00 173.24 173.98 2ki8 s SER 12 N 0.97 -0.55 0.47 7.02 0.01 -1.26 -5.17 113.70 115.18 2ki8 s SER 12 Ca -0.06 0.96 0.08 0.00 1.31 0.00 0.00 55.95 58.24 2ki8 s SER 12 Cb -0.07 0.87 0.02 0.00 0.21 0.00 0.00 66.02 67.06 2ki8 s SER 12 CO -0.08 -0.19 0.53 -0.83 0.41 0.00 0.00 173.24 173.08 2ki8 s GLY 13 N 1.14 2.03 -0.28 3.44 0.00 -1.26 -5.15 107.32 107.24 2ki8 s GLY 13 Ca -0.07 -1.80 -0.20 0.00 0.00 0.00 0.00 44.72 42.65 2ki8 s GLY 13 CO -0.10 -1.67 0.73 -1.60 0.00 0.00 0.00 173.10 170.46 2ki8 s ARG 14 N -4.33 0.75 0.74 2.90 3.52 -1.26 -5.18 118.95 116.09 2ki8 s ARG 14 Ca 0.51 1.08 -0.04 0.00 -0.13 0.00 0.00 55.73 57.16 2ki8 s ARG 14 Cb -0.06 0.26 0.15 0.00 -1.56 0.00 0.00 34.95 33.75 2ki8 s ARG 14 CO 0.31 -0.12 1.01 -0.85 -0.81 0.00 0.00 175.30 174.84 2ki8 n GLU 15 N 3.48 -0.35 -4.06 5.12 0.28 -1.26 -5.14 120.64 118.72 2ki8 n GLU 15 Ca -0.17 -2.40 -0.07 0.00 -0.16 0.00 0.00 57.16 54.35 2ki8 n GLU 15 Cb 0.57 -0.78 -0.10 0.00 1.43 0.00 0.00 31.44 32.56 2ki8 n GLU 15 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2ki8 s ASN 16 N -5.00 0.44 0.06 -1.84 3.84 -1.26 -5.12 114.94 106.06 2ki8 s ASN 16 Ca 0.64 -0.93 -0.37 0.00 0.21 0.00 0.00 52.86 52.41 2ki8 s ASN 16 Cb -0.03 0.21 -0.17 0.00 -0.55 0.00 0.00 41.25 40.70 2ki8 s ASN 16 CO 0.43 -0.59 1.31 -0.11 -2.79 0.00 0.00 177.10 175.35 2ki8 n LEU 17 N 0.20 1.39 -4.80 3.21 0.00 -1.26 -4.92 117.00 110.82 2ki8 n LEU 17 Ca -0.15 1.12 -0.38 0.00 0.00 0.00 0.00 56.01 56.60 2ki8 n LEU 17 Cb 0.61 -1.14 -0.06 0.00 0.00 0.00 0.00 43.42 42.82 2ki8 n LEU 17 CO 0.27 -1.17 0.22 -0.31 0.00 0.00 0.00 177.39 176.40 2ki8 s TYR 18 N 0.50 3.74 0.88 1.96 1.51 -1.26 -5.09 117.35 119.58 2ki8 s TYR 18 Ca 0.86 1.15 -0.10 0.00 -1.01 0.00 0.00 57.07 57.97 2ki8 s TYR 18 Cb -1.01 -2.47 0.19 0.00 -0.11 0.00 0.00 41.96 38.56 2ki8 s TYR 18 CO 0.49 0.52 1.20 1.19 -1.11 0.00 0.00 175.55 177.84 2ki8 n PHE 19 N 2.12 -3.57 -0.00 2.71 3.72 -1.26 -5.05 117.46 116.12 2ki8 n PHE 19 Ca -0.10 -1.42 -0.18 0.00 -0.05 0.00 0.00 57.45 55.70 2ki8 n PHE 19 Cb 0.51 -0.91 -0.14 0.00 -0.94 0.00 0.00 39.48 38.00 2ki8 n PHE 19 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2ki8 h GLN 20 N 0.00 0.17 0.00 -1.08 4.15 -1.98 -3.48 115.11 112.89 2ki8 h GLN 20 Ca -0.39 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 58.73 2ki8 h GLN 20 Cb 1.21 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.01 2ki8 h GLN 20 CO 0.33 1.14 0.00 0.41 -1.93 0.00 0.00 178.83 178.78 2ki8 n GLY 21 N 1.64 1.65 2.48 2.39 0.00 -1.26 -4.79 105.19 107.31 2ki8 n GLY 21 Ca -0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 2ki8 n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ki8 n HIS 22 N 0.00 -2.85 -2.51 1.61 -0.00 -1.26 -3.95 115.22 106.26 2ki8 n HIS 22 Ca 0.00 1.20 -0.33 0.00 0.46 0.00 0.00 57.72 59.06 2ki8 n HIS 22 Cb 0.00 -3.45 -0.04 0.00 -0.12 0.00 0.00 29.99 26.38 2ki8 n HIS 22 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2ki8 s MET 23 N -1.76 3.95 -0.03 1.57 0.23 -1.26 -4.70 119.30 117.29 2ki8 s MET 23 Ca 0.10 1.09 0.06 0.00 -1.03 0.00 0.00 55.69 55.91 2ki8 s MET 23 Cb -0.03 -2.13 -0.02 0.00 -1.53 0.00 0.00 34.83 31.12 2ki8 s MET 23 CO 0.59 -0.28 -0.21 -0.51 -2.03 0.00 0.00 175.02 172.59 2ki8 s LEU 24 N -3.76 2.36 -0.46 0.18 1.43 -0.03 -4.91 118.68 113.50 2ki8 s LEU 24 Ca 0.62 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 53.07 2ki8 s LEU 24 Cb -0.11 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 44.70 2ki8 s LEU 24 CO 0.24 0.33 1.18 -1.61 0.23 0.00 0.00 176.35 176.72 2ki8 s GLU 25 N -0.71 3.72 0.16 1.70 2.02 -1.26 -1.98 118.70 122.34 2ki8 s GLU 25 Ca 0.11 0.64 0.03 0.00 0.02 0.00 0.00 54.97 55.77 2ki8 s GLU 25 Cb -0.10 -3.92 -0.05 0.00 0.10 0.00 0.00 34.13 30.16 2ki8 s GLU 25 CO -0.00 -1.39 -0.04 0.14 0.02 0.00 0.00 175.26 173.98 2ki8 s VAL 26 N 4.57 0.88 -0.31 2.63 -7.23 -0.19 -4.73 120.40 116.02 2ki8 s VAL 26 Ca 0.50 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.55 2ki8 s VAL 26 Cb -0.08 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 2ki8 s VAL 26 CO 0.31 -0.62 0.21 -0.70 -0.31 0.00 0.00 175.10 174.00 2ki8 s GLU 27 N -3.84 3.72 -0.44 4.82 2.12 -0.89 -0.37 118.70 123.81 2ki8 s GLU 27 Ca 0.20 -0.48 -0.22 0.00 0.36 0.00 0.00 54.97 54.83 2ki8 s GLU 27 Cb 0.05 -3.73 0.02 0.00 0.26 0.00 0.00 34.13 30.73 2ki8 s GLU 27 CO 0.02 -0.31 0.69 0.08 -0.54 0.00 0.00 175.26 175.20 2ki8 s VAL 28 N 1.74 4.76 0.25 3.70 1.01 0.25 -0.77 120.40 131.35 2ki8 s VAL 28 Ca 0.07 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.20 2ki8 s VAL 28 Cb -0.17 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.91 2ki8 s VAL 28 CO 0.11 -0.64 0.53 -0.63 0.00 0.00 0.00 175.10 174.47 2ki8 s ILE 29 N 2.98 5.00 -0.44 2.22 1.01 0.11 0.50 121.20 132.59 2ki8 s ILE 29 Ca 0.25 0.23 0.03 0.00 0.00 0.00 0.00 60.65 61.16 2ki8 s ILE 29 Cb -0.13 -3.67 0.12 0.00 0.01 0.00 0.00 42.46 38.79 2ki8 s ILE 29 CO 0.20 -0.18 0.19 -0.55 0.00 0.00 0.00 174.94 174.60 2ki8 s SER 30 N -2.75 4.22 0.30 3.58 0.15 -1.24 -0.27 113.70 117.69 2ki8 s SER 30 Ca 0.45 -2.58 -0.26 0.00 0.70 0.00 0.00 55.95 54.26 2ki8 s SER 30 Cb -0.11 -1.41 -0.10 0.00 -1.71 0.00 0.00 66.02 62.70 2ki8 s SER 30 CO 0.26 -0.29 0.92 -0.83 1.20 0.00 0.00 173.24 174.49 2ki8 s GLY 31 N 0.33 2.84 -1.09 9.45 0.00 -0.68 -4.63 107.32 113.54 2ki8 s GLY 31 Ca 0.15 0.50 -0.24 0.00 0.00 0.00 0.00 44.72 45.13 2ki8 s GLY 31 CO -0.04 0.96 2.03 -1.60 0.00 0.00 0.00 173.10 174.45 2ki8 s ARG 32 N -1.88 1.99 -0.17 2.90 3.52 -1.26 -0.49 118.95 123.55 2ki8 s ARG 32 Ca 0.48 -0.70 -0.07 0.00 -0.13 0.00 0.00 55.73 55.30 2ki8 s ARG 32 Cb -0.20 -5.10 -0.04 0.00 -1.56 0.00 0.00 34.95 28.05 2ki8 s ARG 32 CO 0.25 -4.47 0.08 0.95 -0.81 0.00 0.00 175.30 171.29 2ki8 s THR 33 N 13.25 4.92 0.27 4.11 -4.23 -1.26 -4.96 115.64 127.73 2ki8 s THR 33 Ca 0.75 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.27 2ki8 s THR 33 Cb -0.04 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.60 2ki8 s THR 33 CO 0.13 0.48 0.00 0.18 -0.54 0.00 0.00 174.62 174.87 2ki8 n LEU 34 N 3.27 0.00 -4.61 4.79 4.32 -1.26 -4.63 117.00 118.88 2ki8 n LEU 34 Ca -0.17 1.23 -0.41 0.00 -0.02 0.00 0.00 56.01 56.64 2ki8 n LEU 34 Cb 0.53 -3.47 -0.06 0.00 -1.62 0.00 0.00 43.42 38.80 2ki8 n LEU 34 CO 0.35 -2.39 0.48 0.20 -1.22 0.00 0.00 177.39 174.81 2ki8 s ASN 35 N -6.29 6.59 0.00 -1.43 -0.87 -1.26 -5.06 114.94 106.62 2ki8 s ASN 35 Ca 0.00 0.59 0.00 0.00 -1.57 0.00 0.00 52.86 51.88 2ki8 s ASN 35 Cb 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 2ki8 s ASN 35 CO 0.00 -0.52 0.00 0.00 -2.57 0.00 0.00 177.10 174.01 2ki8 n GLN 36 N 6.00 2.10 0.00 -0.60 3.00 -1.26 -4.59 117.38 122.02 2ki8 n GLN 36 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2ki8 n GLN 36 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.72 2ki8 n GLN 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ki8 n GLY 37 N 4.36 1.69 3.77 1.08 0.00 -1.26 -4.94 105.19 109.88 2ki8 n GLY 37 Ca 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 3.27 0.70 4.61 0.00 -1.26 -5.02 121.76 124.05 2ki8 s ALA 38 Ca 0.00 1.09 -0.14 0.00 0.00 0.00 0.00 51.96 52.90 2ki8 s ALA 38 Cb 0.00 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.72 2ki8 s ALA 38 CO 0.00 -0.59 1.13 0.95 0.00 0.00 0.00 175.76 177.25 2ki8 s THR 39 N -1.30 2.97 0.60 0.00 -4.23 -1.26 -4.85 115.64 107.57 2ki8 s THR 39 Ca 0.54 0.44 0.30 0.00 -1.18 0.00 0.00 61.69 61.80 2ki8 s THR 39 Cb -0.34 -2.94 0.36 0.00 1.34 0.00 0.00 72.50 70.92 2ki8 s THR 39 CO 0.44 -0.29 2.17 -0.37 -0.54 0.00 0.00 174.62 176.03 2ki8 h VAL 40 N -0.24 0.43 0.17 2.29 -1.51 -1.95 -0.86 116.25 114.58 2ki8 h VAL 40 Ca -0.46 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.00 2ki8 h VAL 40 Cb 1.26 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2ki8 h VAL 40 CO 0.52 0.00 -0.08 -0.08 -1.23 0.00 0.00 177.57 176.70 2ki8 h GLU 41 N 0.00 -0.22 -0.64 5.19 4.81 -1.98 0.14 114.58 121.88 2ki8 h GLU 41 Ca 0.05 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2ki8 h GLU 41 Cb 0.29 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.66 2ki8 h GLU 41 CO -0.00 -0.03 0.34 0.93 -0.73 0.00 0.00 179.01 179.52 2ki8 h GLU 42 N -0.38 0.61 -1.01 1.92 4.39 -1.55 -2.60 114.58 115.97 2ki8 h GLU 42 Ca -0.02 -0.04 -0.50 0.00 0.34 0.00 0.00 59.36 59.14 2ki8 h GLU 42 Cb 0.29 -0.14 -0.28 0.00 -0.10 0.00 0.00 28.75 28.52 2ki8 h GLU 42 CO 0.04 0.41 0.63 1.63 -1.16 0.00 0.00 179.01 180.56 2ki8 n LYS 43 N -4.82 2.20 -1.93 2.33 5.02 -0.60 -4.90 118.16 115.46 2ki8 n LYS 43 Ca 0.08 -2.81 -0.24 0.00 -2.02 0.00 0.00 58.31 53.32 2ki8 n LYS 43 Cb 0.18 -2.10 -0.07 0.00 -0.02 0.00 0.00 35.03 33.02 2ki8 n LYS 43 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2ki8 s LEU 44 N -3.10 2.91 0.08 -0.35 1.98 0.47 -4.61 118.68 116.05 2ki8 s LEU 44 Ca 0.54 -1.21 -0.07 0.00 -2.89 0.00 0.00 54.13 50.50 2ki8 s LEU 44 Cb 0.45 -2.58 -0.01 0.00 0.66 0.00 0.00 46.19 44.70 2ki8 s LEU 44 CO 0.09 -3.45 0.14 0.28 -1.89 0.00 0.00 176.35 171.52 2ki8 s THR 45 N 12.44 0.16 0.51 3.68 -1.32 -1.26 -5.03 115.64 124.82 2ki8 s THR 45 Ca 0.73 -1.31 0.25 0.00 -1.21 0.00 0.00 61.69 60.15 2ki8 s THR 45 Cb -0.04 -1.35 0.40 0.00 -1.51 0.00 0.00 72.50 70.01 2ki8 s THR 45 CO 0.11 -0.72 1.96 -0.08 -2.21 0.00 0.00 174.62 173.68 2ki8 h GLU 46 N 2.90 0.07 -0.66 7.08 4.81 -2.00 -0.72 114.58 126.06 2ki8 h GLU 46 Ca -0.34 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.90 2ki8 h GLU 46 Cb 1.18 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 2ki8 h GLU 46 CO 0.58 0.05 0.44 1.49 -0.73 0.00 0.00 179.01 180.84 2ki8 h GLU 47 N 0.07 0.85 0.00 1.92 4.81 -1.96 0.12 114.58 120.40 2ki8 h GLU 47 Ca 0.30 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 2ki8 h GLU 47 Cb 1.11 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2ki8 h GLU 47 CO -0.02 0.56 -0.19 -0.92 -0.73 0.00 0.00 179.01 177.71 2ki8 h TYR 48 N 0.88 0.00 0.00 0.92 5.03 -1.38 -1.33 116.97 121.08 2ki8 h TYR 48 Ca 0.25 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.56 2ki8 h TYR 48 Cb -0.06 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.22 2ki8 h TYR 48 CO -0.00 0.19 -0.55 0.35 -1.32 0.00 0.00 178.16 176.82 2ki8 h PHE 49 N 0.00 0.00 0.14 -3.82 3.57 -0.88 -3.31 116.94 112.64 2ki8 h PHE 49 Ca -0.00 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.23 2ki8 h PHE 49 Cb 0.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2ki8 h PHE 49 CO 0.00 0.00 -1.35 -0.91 -2.23 0.00 0.00 178.31 173.82 2ki8 h ASN 50 N 0.00 0.45 0.00 0.41 2.35 0.01 -3.40 115.58 115.40 2ki8 h ASN 50 Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 56.30 54.87 2ki8 h ASN 50 Cb 0.87 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.10 2ki8 h ASN 50 CO 0.00 1.61 -0.03 0.00 -1.65 0.00 0.00 177.43 177.36 2ki8 h ALA 51 N 0.00 0.00 -0.26 -0.83 0.00 -1.43 -3.39 119.26 113.35 2ki8 h ALA 51 Ca -0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2ki8 h ALA 51 Cb 1.80 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2ki8 h ALA 51 CO 0.10 0.03 0.03 1.33 0.00 0.00 0.00 179.25 180.73 2ki8 n VAL 52 N -3.73 1.23 -0.43 0.00 0.24 -1.24 -4.13 118.33 110.27 2ki8 n VAL 52 Ca -0.00 -0.61 0.09 0.00 -2.04 0.00 0.00 64.34 61.78 2ki8 n VAL 52 Cb 0.01 -0.44 0.26 0.00 -1.47 0.00 0.00 33.84 32.20 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 0.22 3.79 -4.20 -1.34 5.03 -1.26 -4.52 115.26 112.98 2ki8 n ASN 53 Ca 0.13 -2.22 -0.12 0.00 0.87 0.00 0.00 54.58 53.25 2ki8 n ASN 53 Cb 0.68 -0.43 -0.10 0.00 -1.02 0.00 0.00 39.78 38.92 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 -1.40 1.04 0.00 3.10 1.13 -1.26 -1.57 117.35 118.39 2ki8 s TYR 54 Ca 0.40 -1.12 0.06 0.00 -1.41 0.00 0.00 57.07 55.00 2ki8 s TYR 54 Cb 0.23 -0.59 -0.02 0.00 -1.10 0.00 0.00 41.96 40.49 2ki8 s TYR 54 CO 0.22 -0.36 -0.19 0.00 -2.51 0.00 0.00 175.55 172.72 2ki8 s ALA 55 N -3.84 1.59 -0.39 9.51 0.00 0.15 -4.33 121.76 124.45 2ki8 s ALA 55 Ca 0.24 -0.87 -0.18 0.00 0.00 0.00 0.00 51.96 51.14 2ki8 s ALA 55 Cb 0.07 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2ki8 s ALA 55 CO 0.03 0.38 0.52 -1.21 0.00 0.00 0.00 175.76 175.47 2ki8 s GLU 56 N -0.64 3.42 0.02 0.00 2.02 0.91 -1.24 118.70 123.19 2ki8 s GLU 56 Ca 0.07 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.74 2ki8 s GLU 56 Cb -0.08 -3.88 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 2ki8 s GLU 56 CO -0.00 -0.77 -0.04 0.42 0.02 0.00 0.00 175.26 174.89 2ki8 s ILE 57 N 2.42 3.82 0.62 -1.63 1.09 0.36 -1.43 121.20 126.45 2ki8 s ILE 57 Ca 0.18 -0.80 -0.17 0.00 -1.10 0.00 0.00 60.65 58.75 2ki8 s ILE 57 Cb -0.16 -2.71 -0.02 0.00 -1.06 0.00 0.00 42.46 38.51 2ki8 s ILE 57 CO 0.15 0.32 1.17 0.21 -0.10 0.00 0.00 174.94 176.69 2ki8 s ASN 58 N -1.67 5.09 0.23 3.58 3.84 -1.26 -2.29 114.94 122.47 2ki8 s ASN 58 Ca 0.19 2.26 -0.07 0.00 0.21 0.00 0.00 52.86 55.46 2ki8 s ASN 58 Cb -0.11 -2.58 0.29 0.00 -0.55 0.00 0.00 41.25 38.29 2ki8 s ASN 58 CO 0.11 -1.66 1.86 -0.08 -2.79 0.00 0.00 177.10 174.54 2ki8 h GLU 59 N 0.55 0.95 -0.12 0.43 4.81 -1.88 0.21 114.58 119.53 2ki8 h GLU 59 Ca -0.49 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 2ki8 h GLU 59 Cb 1.28 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2ki8 h GLU 59 CO 0.54 0.63 0.05 0.93 -0.73 0.00 0.00 179.01 180.43 2ki8 h GLU 60 N 0.98 0.18 -0.46 1.92 4.39 -1.98 -1.00 114.58 118.62 2ki8 h GLU 60 Ca 0.35 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.94 2ki8 h GLU 60 Cb 0.10 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2ki8 h GLU 60 CO -0.15 0.29 -0.02 -0.44 -1.16 0.00 0.00 179.01 177.53 2ki8 h ASP 61 N 0.03 0.73 -0.39 1.42 3.32 -1.88 -0.89 116.42 118.76 2ki8 h ASP 61 Ca 0.04 -0.18 0.08 0.00 0.02 0.00 0.00 57.03 56.99 2ki8 h ASP 61 Cb 0.18 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.46 2ki8 h ASP 61 CO -0.00 0.81 -0.04 -0.25 -1.72 0.00 0.00 179.24 178.03 2ki8 h TRP 62 N 0.71 -0.11 -0.56 4.55 2.91 -0.31 0.11 115.95 123.26 2ki8 h TRP 62 Ca 0.14 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 60.09 2ki8 h TRP 62 Cb 0.46 0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 29.20 2ki8 h TRP 62 CO 0.02 -0.12 -0.03 -0.91 -1.03 0.00 0.00 178.44 176.37 2ki8 h ASN 63 N 0.05 1.00 -0.91 2.65 2.35 -0.90 -1.08 115.58 118.75 2ki8 h ASN 63 Ca 0.19 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2ki8 h ASN 63 Cb 0.29 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 2ki8 h ASN 63 CO -0.36 1.08 0.55 0.00 -1.65 0.00 0.00 177.43 177.05 2ki8 h ALA 64 N 0.95 1.26 0.00 -0.83 0.00 -0.53 -1.23 119.26 118.89 2ki8 h ALA 64 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ki8 h ALA 64 Cb 0.59 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2ki8 h ALA 64 CO 0.04 0.64 -0.03 1.28 0.00 0.00 0.00 179.25 181.17 2ki8 n LEU 65 N -4.36 0.10 -2.90 0.00 4.77 0.33 -4.94 117.00 110.00 2ki8 n LEU 65 Ca 0.10 0.48 -0.18 0.00 -0.03 0.00 0.00 56.01 56.37 2ki8 n LEU 65 Cb 0.06 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 40.74 2ki8 n LEU 65 CO 0.38 -0.01 0.19 0.61 -1.33 0.00 0.00 177.39 177.23 2ki8 n GLY 66 N 1.48 -0.21 3.85 -0.72 0.00 -0.46 -4.69 105.19 104.44 2ki8 n GLY 66 Ca 0.07 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.89 3.10 -0.02 0.99 1.43 -0.49 -5.03 118.68 112.77 2ki8 s LEU 67 Ca 0.45 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 2ki8 s LEU 67 Cb -0.20 -4.35 0.03 0.00 0.03 0.00 0.00 46.19 41.70 2ki8 s LEU 67 CO 0.57 -1.20 0.01 -1.58 0.23 0.00 0.00 176.35 174.38 2ki8 s GLN 68 N -5.17 0.17 -0.73 1.70 0.74 -1.26 -4.90 119.66 110.22 2ki8 s GLN 68 Ca 0.57 0.11 -0.25 0.00 0.05 0.00 0.00 55.36 55.84 2ki8 s GLN 68 Cb -0.12 -0.38 -0.15 0.00 1.10 0.00 0.00 33.01 33.46 2ki8 s GLN 68 CO 0.54 -0.14 2.42 0.39 -0.55 0.00 0.00 175.29 177.95 2ki8 n GLU 69 N 4.09 0.61 0.00 1.67 1.02 -1.26 -1.19 120.64 125.58 2ki8 n GLU 69 Ca -0.27 -0.36 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 2ki8 n GLU 69 Cb 0.51 -3.06 0.00 0.00 -0.02 0.00 0.00 31.44 28.86 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 6.33 0.70 0.00 0.62 0.00 -1.26 -5.16 105.19 106.43 2ki8 n GLY 70 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 -4.20 1.61 5.68 -0.33 -4.92 116.55 114.39 2ki8 n ASP 71 Ca 0.00 -1.00 -0.12 0.00 -0.50 0.00 0.00 54.79 53.18 2ki8 n ASP 71 Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 2ki8 n ASP 71 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ki8 s ARG 72 N -2.51 0.95 0.10 0.11 3.03 -1.26 -1.42 118.95 117.95 2ki8 s ARG 72 Ca 0.00 -1.42 0.04 0.00 2.03 0.00 0.00 55.73 56.38 2ki8 s ARG 72 Cb 0.00 -0.21 -0.04 0.00 -1.03 0.00 0.00 34.95 33.67 2ki8 s ARG 72 CO 0.00 -0.08 -0.11 0.14 -1.13 0.00 0.00 175.30 174.12 2ki8 s VAL 73 N -3.66 1.02 -0.18 4.99 -7.23 -0.28 -3.69 120.40 111.38 2ki8 s VAL 73 Ca 0.17 -1.63 -0.12 0.00 -1.81 0.00 0.00 61.98 58.59 2ki8 s VAL 73 Cb 0.06 -1.37 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 2ki8 s VAL 73 CO -0.01 -0.51 0.22 -0.75 -0.31 0.00 0.00 175.10 173.74 2ki8 s LYS 74 N -2.70 4.22 -0.17 4.82 2.47 0.93 -2.27 119.74 127.03 2ki8 s LYS 74 Ca 0.06 -0.06 -0.00 0.00 -1.56 0.00 0.00 55.97 54.40 2ki8 s LYS 74 Cb -0.04 -3.43 0.00 0.00 -1.46 0.00 0.00 37.83 32.90 2ki8 s LYS 74 CO 0.01 0.25 -0.14 0.08 0.16 0.00 0.00 175.35 175.71 2ki8 s VAL 75 N 0.46 2.69 -0.12 4.02 1.01 -0.39 -1.70 120.40 126.38 2ki8 s VAL 75 Ca 0.12 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2ki8 s VAL 75 Cb -0.12 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.12 2ki8 s VAL 75 CO 0.01 0.50 -0.16 -0.54 0.00 0.00 0.00 175.10 174.91 2ki8 s LYS 76 N 1.05 2.33 0.06 2.72 1.02 -0.18 -1.93 119.74 124.80 2ki8 s LYS 76 Ca -0.01 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.39 2ki8 s LYS 76 Cb -0.15 -1.98 -0.00 0.00 -0.52 0.00 0.00 37.83 35.18 2ki8 s LYS 76 CO -0.03 -0.07 0.03 0.25 -0.92 0.00 0.00 175.35 174.60 2ki8 n THR 77 N 4.24 0.00 1.01 2.17 -2.24 -0.33 -0.43 114.28 118.71 2ki8 n THR 77 Ca -0.19 -0.36 0.09 0.00 -2.27 0.00 0.00 64.05 61.32 2ki8 n THR 77 Cb 0.51 0.14 0.51 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.13 0.43 -0.09 -0.78 0.28 -1.26 -3.39 120.64 115.70 2ki8 n GLU 78 Ca -0.01 0.06 -0.12 0.00 -0.16 0.00 0.00 57.16 56.93 2ki8 n GLU 78 Cb 0.09 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.38 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 -1.14 0.00 0.00 -1.84 3.72 -1.26 -5.13 117.46 111.81 2ki8 n PHE 79 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2ki8 n PHE 79 Cb 0.10 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 37.98 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 2.64 -0.73 3.23 1.37 0.00 -1.02 -4.93 105.19 105.75 2ki8 n GLY 80 Ca -0.31 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.63 0.66 0.04 1.61 -1.05 -1.19 -1.18 118.70 116.97 2ki8 s GLU 81 Ca 0.00 -0.21 -0.06 0.00 -0.15 0.00 0.00 54.97 54.55 2ki8 s GLU 81 Cb 0.00 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 33.97 2ki8 s GLU 81 CO 0.00 -0.18 0.10 0.54 0.95 0.00 0.00 175.26 176.67 2ki8 s VAL 82 N -1.36 0.14 -0.23 1.83 0.11 -0.81 -4.88 120.40 115.20 2ki8 s VAL 82 Ca -0.13 -1.15 -0.00 0.00 -2.93 0.00 0.00 61.98 57.76 2ki8 s VAL 82 Cb -0.05 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2ki8 s VAL 82 CO 0.04 -0.64 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.38 2ki8 s VAL 83 N -2.87 2.59 0.29 2.04 1.01 -1.26 -1.27 120.40 120.93 2ki8 s VAL 83 Ca -0.03 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 60.90 2ki8 s VAL 83 Cb 0.00 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.03 2ki8 s VAL 83 CO -0.06 0.25 0.04 0.68 0.00 0.00 0.00 175.10 176.01 2ki8 s VAL 84 N 1.28 1.13 0.12 2.92 -7.23 -0.96 -2.46 120.40 115.19 2ki8 s VAL 84 Ca -0.00 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 2ki8 s VAL 84 Cb -0.16 -2.66 -0.07 0.00 0.56 0.00 0.00 36.38 34.05 2ki8 s VAL 84 CO -0.06 -0.09 1.23 -0.36 -0.31 0.00 0.00 175.10 175.50 2ki8 s PHE 85 N -3.35 3.41 -0.21 2.82 0.08 -0.61 -1.12 117.98 119.00 2ki8 s PHE 85 Ca 0.34 1.30 -0.23 0.00 0.12 0.00 0.00 56.93 58.46 2ki8 s PHE 85 Cb 0.08 -3.46 -0.01 0.00 -0.57 0.00 0.00 43.02 39.05 2ki8 s PHE 85 CO 0.14 -1.41 0.76 0.00 -0.10 0.00 0.00 175.22 174.61 2ki8 s ALA 86 N 0.61 3.58 0.06 5.36 0.00 -0.51 -0.68 121.76 130.18 2ki8 s ALA 86 Ca 0.57 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.42 2ki8 s ALA 86 Cb -0.32 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2ki8 s ALA 86 CO 0.32 -0.74 -0.10 0.15 0.00 0.00 0.00 175.76 175.39 2ki8 s LYS 87 N 2.37 0.65 -0.61 0.00 1.02 -0.37 -4.32 119.74 118.48 2ki8 s LYS 87 Ca 0.34 -0.85 -0.24 0.00 0.02 0.00 0.00 55.97 55.23 2ki8 s LYS 87 Cb -0.16 -0.51 0.05 0.00 -0.52 0.00 0.00 37.83 36.69 2ki8 s LYS 87 CO 0.10 0.10 1.01 0.21 -0.92 0.00 0.00 175.35 175.86 2ki8 s LYS 88 N -1.69 3.27 0.00 1.68 2.20 -1.26 -0.49 119.74 123.45 2ki8 s LYS 88 Ca -0.06 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 2ki8 s LYS 88 Cb -0.10 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.11 2ki8 s LYS 88 CO 0.01 -1.68 0.00 0.41 -0.36 0.00 0.00 175.35 173.73 2ki8 n GLY 89 N 5.20 5.73 3.33 5.54 0.00 -0.97 -4.87 105.19 119.16 2ki8 n GLY 89 Ca 0.01 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 2ki8 n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ki8 n ASP 90 N -0.59 5.02 -3.78 1.61 2.03 -1.26 -4.67 116.55 114.92 2ki8 n ASP 90 Ca 0.00 -2.97 -0.12 0.00 0.52 0.00 0.00 54.79 52.21 2ki8 n ASP 90 Cb 0.00 -1.61 -0.08 0.00 -0.72 0.00 0.00 41.12 38.71 2ki8 n ASP 90 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2ki8 s VAL 91 N 2.19 0.07 0.75 5.18 -7.23 -1.26 -4.92 120.40 115.18 2ki8 s VAL 91 Ca 0.46 -0.61 -0.10 0.00 -1.81 0.00 0.00 61.98 59.91 2ki8 s VAL 91 Cb 0.02 -0.76 0.06 0.00 0.56 0.00 0.00 36.38 36.26 2ki8 s VAL 91 CO 0.02 -0.34 1.11 -2.16 -0.31 0.00 0.00 175.10 173.42 2ki8 s PRO 92 N -1.93 2.26 0.44 4.82 0.04 -1.26 -4.49 135.00 134.88 2ki8 s PRO 92 Ca -0.09 0.10 -0.24 0.00 0.04 0.00 0.00 61.00 60.80 2ki8 s PRO 92 Cb -0.03 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 2ki8 s PRO 92 CO 0.00 -1.35 1.24 0.21 0.04 0.00 0.00 177.00 177.14 2ki8 s LYS 93 N -5.43 3.83 -0.48 4.56 2.20 -1.26 -2.62 119.74 120.54 2ki8 s LYS 93 Ca 0.60 1.98 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 2ki8 s LYS 93 Cb -0.11 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 2ki8 s LYS 93 CO 0.48 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 2ki8 n GLY 94 N 0.61 0.73 3.35 5.54 0.00 -1.26 -5.03 105.19 109.13 2ki8 n GLY 94 Ca 0.06 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.22 0.51 0.07 1.61 0.00 -1.08 -2.10 119.30 116.08 2ki8 s MET 95 Ca 0.00 0.71 0.04 0.00 0.00 0.00 0.00 55.69 56.44 2ki8 s MET 95 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 34.83 34.98 2ki8 s MET 95 CO 0.00 -0.09 -0.12 0.96 0.00 0.00 0.00 175.02 175.77 2ki8 s ILE 96 N 0.62 0.92 -0.13 10.11 -4.36 0.05 -4.30 121.20 124.11 2ki8 s ILE 96 Ca -0.03 -1.29 -0.01 0.00 -0.26 0.00 0.00 60.65 59.07 2ki8 s ILE 96 Cb -0.05 -0.98 -0.02 0.00 1.25 0.00 0.00 42.46 42.67 2ki8 s ILE 96 CO -0.04 -0.32 -0.10 0.12 0.24 0.00 0.00 174.94 174.84 2ki8 s PHE 97 N -1.46 2.87 -0.06 1.37 2.19 -0.51 -0.71 117.98 121.66 2ki8 s PHE 97 Ca -0.03 -0.51 0.03 0.00 0.33 0.00 0.00 56.93 56.75 2ki8 s PHE 97 Cb -0.09 -1.86 0.00 0.00 -1.31 0.00 0.00 43.02 39.76 2ki8 s PHE 97 CO 0.01 -0.13 -0.17 0.42 1.83 0.00 0.00 175.22 177.19 2ki8 s ILE 98 N 0.27 1.45 0.39 3.12 1.01 0.63 -0.07 121.20 128.01 2ki8 s ILE 98 Ca -0.08 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 59.62 2ki8 s ILE 98 Cb -0.15 -1.27 -0.11 0.00 0.01 0.00 0.00 42.46 40.94 2ki8 s ILE 98 CO 0.05 0.42 1.34 -2.65 0.00 0.00 0.00 174.94 174.10 2ki8 n PRO 99 N 3.49 2.18 -1.62 2.79 -0.02 -1.26 -1.68 135.00 138.88 2ki8 n PRO 99 Ca -0.20 0.77 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 2ki8 n PRO 99 Cb 0.52 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 2ki8 n PRO 99 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2ki8 s MET 100 N -2.13 2.51 0.23 -0.52 1.75 0.36 -4.44 119.30 117.06 2ki8 s MET 100 Ca 0.58 1.56 -0.17 0.00 -1.25 0.00 0.00 55.69 56.41 2ki8 s MET 100 Cb -0.51 -4.49 0.06 0.00 2.84 0.00 0.00 34.83 32.73 2ki8 s MET 100 CO 0.60 -2.82 0.83 0.41 -0.65 0.00 0.00 175.02 173.39 2ki8 n GLY 101 N 5.89 0.84 0.38 2.11 0.00 -1.26 -4.69 105.19 108.46 2ki8 n GLY 101 Ca 0.33 -1.16 0.18 0.00 0.00 0.00 0.00 46.02 45.37 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 0.16 0.04 1.61 0.13 -1.89 0.19 132.00 132.24 2ki8 h PRO 102 Ca -0.26 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2ki8 h PRO 102 Cb 1.07 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2ki8 h PRO 102 CO 0.34 0.11 -0.02 1.88 -0.23 0.00 0.00 178.00 180.08 2ki8 h TYR 103 N 0.17 -0.05 -0.74 1.56 -1.99 -1.91 -2.83 116.97 111.19 2ki8 h TYR 103 Ca 0.30 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.00 2ki8 h TYR 103 Cb 0.94 0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.65 2ki8 h TYR 103 CO -0.00 0.26 0.36 0.00 -0.00 0.00 0.00 178.16 178.78 2ki8 h ALA 104 N 0.59 1.24 -0.46 3.88 0.00 -1.47 -2.44 119.26 120.60 2ki8 h ALA 104 Ca -0.01 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.90 2ki8 h ALA 104 Cb 0.33 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2ki8 h ALA 104 CO 0.01 0.59 0.45 -0.97 0.00 0.00 0.00 179.25 179.32 2ki8 h ASN 105 N 1.05 0.00 1.33 0.00 -1.24 -0.51 0.42 115.58 116.63 2ki8 h ASN 105 Ca 0.26 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 2ki8 h ASN 105 Cb 0.10 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.15 2ki8 h ASN 105 CO -0.03 0.00 -0.05 0.24 -1.29 0.00 0.00 177.43 176.30 2ki8 h MET 106 N 0.00 0.00 0.00 6.67 2.86 -1.19 -3.35 114.93 119.92 2ki8 h MET 106 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2ki8 h MET 106 Cb 1.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.77 2ki8 h MET 106 CO -0.00 0.05 0.00 1.33 1.06 0.00 0.00 176.91 179.35 2ki8 n VAL 107 N -3.14 0.00 -3.54 -2.22 0.24 0.30 -2.43 118.33 107.54 2ki8 n VAL 107 Ca 0.02 -0.28 -0.24 0.00 -2.04 0.00 0.00 64.34 61.80 2ki8 n VAL 107 Cb 0.41 1.12 0.03 0.00 -1.47 0.00 0.00 33.84 33.93 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 -0.41 1.74 -0.42 1.34 -4.36 0.12 -4.65 121.20 114.56 2ki8 s ILE 108 Ca 0.00 -1.29 -0.21 0.00 -0.26 0.00 0.00 60.65 58.89 2ki8 s ILE 108 Cb 0.00 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.71 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 -4.48 6.36 0.20 4.36 2.15 -1.26 -4.87 116.67 119.12 2ki8 s ASP 109 Ca 0.45 -0.21 0.24 0.00 0.43 0.00 0.00 52.55 53.47 2ki8 s ASP 109 Cb -0.04 -2.33 0.91 0.00 -0.30 0.00 0.00 42.92 41.16 2ki8 s ASP 109 CO 0.29 -0.76 1.74 -0.81 -0.17 0.00 0.00 175.17 175.45 2ki8 n PRO 110 N 6.29 0.19 0.04 4.34 -0.04 -1.26 -4.02 135.00 140.54 2ki8 n PRO 110 Ca -0.01 0.29 -0.01 0.00 -0.04 0.00 0.00 63.50 63.73 2ki8 n PRO 110 Cb 0.48 -1.79 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 2ki8 n PRO 110 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2ki8 h SER 111 N 0.00 -0.08 -0.18 3.54 0.02 -2.01 -3.48 113.55 111.35 2ki8 h SER 111 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ki8 h SER 111 Cb 0.52 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2ki8 h SER 111 CO 0.00 -0.05 0.00 0.35 -1.14 0.00 0.00 176.83 175.99 2ki8 n THR 112 N -2.28 0.00 -3.78 -2.27 -2.24 -1.26 -4.94 114.28 97.51 2ki8 n THR 112 Ca -0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 2ki8 n THR 112 Cb 0.04 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.20 2ki8 n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ki8 s ASP 113 N -4.00 -0.04 0.61 3.42 2.15 -1.26 -5.04 116.67 112.51 2ki8 s ASP 113 Ca 0.00 -0.40 0.36 0.00 0.43 0.00 0.00 52.55 52.94 2ki8 s ASP 113 Cb 0.00 0.36 2.02 0.00 -0.30 0.00 0.00 42.92 45.00 2ki8 s ASP 113 CO 0.00 -0.69 2.27 1.23 -0.17 0.00 0.00 175.17 177.82 2ki8 h GLY 114 N 2.95 0.00 0.00 2.66 0.00 -2.04 -3.30 103.07 103.35 2ki8 h GLY 114 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2ki8 h GLY 114 CO 0.50 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.74 2ki8 n THR 115 N -3.49 0.00 0.00 4.70 -2.24 -1.26 -5.12 114.28 106.87 2ki8 n THR 115 Ca -0.03 0.41 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 2ki8 n THR 115 Cb 0.10 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 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 1.97 0.42 3.86 3.38 0.00 -1.24 -5.04 105.19 108.53 2ki8 n GLY 116 Ca 0.00 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.54 3.95 0.61 1.61 -1.94 -1.26 -5.10 119.30 112.63 2ki8 s MET 117 Ca 0.00 0.57 -0.10 0.00 -1.71 0.00 0.00 55.69 54.45 2ki8 s MET 117 Cb 0.00 -2.47 0.14 0.00 2.01 0.00 0.00 34.83 34.51 2ki8 s MET 117 CO 0.00 0.18 0.84 -0.35 -0.01 0.00 0.00 175.02 175.67 2ki8 n PRO 118 N -0.38 -0.80 -1.12 2.03 -0.04 -1.26 -4.98 135.00 128.45 2ki8 n PRO 118 Ca 0.03 -1.31 0.14 0.00 -0.04 0.00 0.00 63.50 62.32 2ki8 n PRO 118 Cb 0.53 -0.85 -0.06 0.00 -0.04 0.00 0.00 33.50 33.08 2ki8 n PRO 118 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2ki8 n GLN 119 N -2.76 -2.49 -2.26 0.54 6.02 -1.26 -4.70 117.38 110.47 2ki8 n GLN 119 Ca 0.11 1.92 -0.43 0.00 -0.01 0.00 0.00 57.00 58.58 2ki8 n GLN 119 Cb 0.36 -2.95 -0.02 0.00 1.02 0.00 0.00 30.24 28.65 2ki8 n GLN 119 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 2ki8 s PHE 120 N -3.30 2.26 -0.09 1.08 -0.71 -1.26 -4.98 117.98 110.98 2ki8 s PHE 120 Ca 0.00 0.66 -0.08 0.00 -1.04 0.00 0.00 56.93 56.47 2ki8 s PHE 120 Cb 0.00 -4.22 0.03 0.00 -1.21 0.00 0.00 43.02 37.62 2ki8 s PHE 120 CO 0.00 -2.26 0.25 0.21 -1.34 0.00 0.00 175.22 172.08 2ki8 s LYS 121 N 5.03 0.28 0.25 1.99 2.47 -1.26 -5.17 119.74 123.33 2ki8 s LYS 121 Ca 0.66 0.36 0.03 0.00 -1.56 0.00 0.00 55.97 55.46 2ki8 s LYS 121 Cb -0.17 0.11 -0.01 0.00 -1.46 0.00 0.00 37.83 36.30 2ki8 s LYS 121 CO 0.32 -0.05 0.26 0.41 0.16 0.00 0.00 175.35 176.45 2ki8 n GLY 122 N 3.09 2.92 3.69 5.54 0.00 -1.26 -4.68 105.19 114.49 2ki8 n GLY 122 Ca -0.14 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 2ki8 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ki8 s VAL 123 N -2.90 4.96 0.70 1.61 1.01 0.18 -4.74 120.40 121.22 2ki8 s VAL 123 Ca 0.27 1.58 -0.11 0.00 0.00 0.00 0.00 61.98 63.72 2ki8 s VAL 123 Cb 0.01 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.29 2ki8 s VAL 123 CO 0.19 0.14 1.06 -0.54 0.00 0.00 0.00 175.10 175.95 2ki8 s LYS 124 N 1.47 2.92 0.00 2.72 1.02 -1.26 0.87 119.74 127.47 2ki8 s LYS 124 Ca 0.39 0.94 0.00 0.00 0.02 0.00 0.00 55.97 57.32 2ki8 s LYS 124 Cb -0.17 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 2ki8 s LYS 124 CO 0.16 -1.11 0.00 0.41 -0.92 0.00 0.00 175.35 173.89 2ki8 n GLY 125 N -2.01 -0.66 3.14 -3.33 0.00 0.50 -4.45 105.19 98.38 2ki8 n GLY 125 Ca 0.07 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.85 0.52 -0.08 2.61 -4.23 0.43 -1.02 115.64 110.03 2ki8 s THR 126 Ca 0.00 -1.87 -0.12 0.00 -1.18 0.00 0.00 61.69 58.51 2ki8 s THR 126 Cb 0.00 -1.60 0.03 0.00 1.34 0.00 0.00 72.50 72.26 2ki8 s THR 126 CO 0.00 -0.91 0.31 0.54 -0.54 0.00 0.00 174.62 174.02 2ki8 s VAL 127 N -3.69 0.02 0.12 2.29 0.11 -0.84 -1.01 120.40 117.41 2ki8 s VAL 127 Ca 0.10 -0.21 -0.16 0.00 -2.93 0.00 0.00 61.98 58.78 2ki8 s VAL 127 Cb 0.06 -0.51 0.03 0.00 -1.53 0.00 0.00 36.38 34.44 2ki8 s VAL 127 CO -0.07 -0.11 0.39 -1.83 -3.33 0.00 0.00 175.10 170.15 2ki8 s GLU 128 N -0.45 1.05 0.26 1.54 -1.05 -0.69 -0.85 118.70 118.52 2ki8 s GLU 128 Ca -0.06 -0.70 -0.23 0.00 -0.15 0.00 0.00 54.97 53.84 2ki8 s GLU 128 Cb -0.04 0.46 -0.09 0.00 -0.44 0.00 0.00 34.13 34.03 2ki8 s GLU 128 CO 0.02 -0.40 0.82 0.21 0.95 0.00 0.00 175.26 176.85 2ki8 s LYS 129 N -3.72 4.41 0.13 -4.83 2.20 -1.25 -0.05 119.74 116.63 2ki8 s LYS 129 Ca 0.02 1.07 -0.12 0.00 -0.36 0.00 0.00 55.97 56.59 2ki8 s LYS 129 Cb 0.02 -2.88 0.01 0.00 -1.51 0.00 0.00 37.83 33.47 2ki8 s LYS 129 CO -0.11 0.36 0.31 -0.08 -0.36 0.00 0.00 175.35 175.47 2ki8 s THR 130 N -1.53 0.09 -1.20 3.43 -1.32 -1.24 -4.45 115.64 109.42 2ki8 s THR 130 Ca 0.45 -1.01 0.25 0.00 -1.21 0.00 0.00 61.69 60.17 2ki8 s THR 130 Cb -0.18 -1.44 0.31 0.00 -1.51 0.00 0.00 72.50 69.68 2ki8 s THR 130 CO 0.22 -0.41 1.81 -0.67 -2.21 0.00 0.00 174.62 173.36 2ki8 n ASP 131 N -0.18 0.00 -4.45 8.08 2.03 -1.26 -4.75 116.55 116.01 2ki8 n ASP 131 Ca -0.13 0.23 -0.37 0.00 0.52 0.00 0.00 54.79 55.05 2ki8 n ASP 131 Cb 0.63 -0.40 0.06 0.00 -0.72 0.00 0.00 41.12 40.69 2ki8 n ASP 131 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ki8 n GLU 132 N -1.40 0.35 -3.20 -0.67 -0.58 -1.26 -4.98 120.64 108.90 2ki8 n GLU 132 Ca 0.09 0.15 -0.34 0.00 -0.42 0.00 0.00 57.16 56.64 2ki8 n GLU 132 Cb 0.24 -1.76 -0.06 0.00 -0.57 0.00 0.00 31.44 29.29 2ki8 n GLU 132 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2ki8 s LYS 133 N -2.52 4.07 0.16 3.49 0.00 -1.26 -4.93 119.74 118.75 2ki8 s LYS 133 Ca 0.66 0.66 -0.31 0.00 0.00 0.00 0.00 55.97 56.98 2ki8 s LYS 133 Cb -0.38 -2.74 -0.08 0.00 0.00 0.00 0.00 37.83 34.63 2ki8 s LYS 133 CO 0.57 0.34 1.37 0.08 0.00 0.00 0.00 175.35 177.71 2ki8 s VAL 134 N -1.67 3.20 0.51 1.79 1.01 -1.26 -4.72 120.40 119.25 2ki8 s VAL 134 Ca 0.45 0.91 -0.22 0.00 0.00 0.00 0.00 61.98 63.13 2ki8 s VAL 134 Cb -0.14 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 2ki8 s VAL 134 CO 0.20 0.10 1.21 -0.76 0.00 0.00 0.00 175.10 175.85 2ki8 s LEU 135 N 0.55 3.90 0.26 3.92 1.43 -1.03 -5.03 118.68 122.67 2ki8 s LEU 135 Ca 0.61 2.41 -0.09 0.00 -1.03 0.00 0.00 54.13 56.03 2ki8 s LEU 135 Cb -0.37 -4.34 -0.07 0.00 0.03 0.00 0.00 46.19 41.44 2ki8 s LEU 135 CO 0.34 -1.20 0.58 -0.55 0.23 0.00 0.00 176.35 175.75 2ki8 s SER 136 N -1.34 6.59 0.23 2.29 0.15 -1.26 -4.92 113.70 115.44 2ki8 s SER 136 Ca 0.68 0.92 -0.08 0.00 0.70 0.00 0.00 55.95 58.17 2ki8 s SER 136 Cb -0.31 -2.23 0.37 0.00 -1.71 0.00 0.00 66.02 62.14 2ki8 s SER 136 CO 0.37 -0.13 1.67 0.58 1.20 0.00 0.00 173.24 176.92 2ki8 h VAL 137 N 1.80 0.48 -0.20 4.45 2.07 -1.96 0.34 116.25 123.23 2ki8 h VAL 137 Ca -0.47 -0.06 -0.20 0.00 0.82 0.00 0.00 66.70 66.79 2ki8 h VAL 137 Cb 1.17 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2ki8 h VAL 137 CO 0.68 0.03 -0.67 0.50 0.02 0.00 0.00 177.57 178.13 2ki8 h LYS 138 N 0.16 0.80 -0.37 1.57 3.64 -1.99 -2.81 116.57 117.57 2ki8 h LYS 138 Ca 0.36 -0.60 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2ki8 h LYS 138 Cb 0.61 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 2ki8 h LYS 138 CO -0.54 1.22 0.22 1.49 -2.27 0.00 0.00 179.45 179.57 2ki8 h GLU 139 N 0.55 0.49 -0.61 1.90 4.81 -1.56 0.11 114.58 120.26 2ki8 h GLU 139 Ca -0.03 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 2ki8 h GLU 139 Cb 1.30 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2ki8 h GLU 139 CO 0.14 0.34 0.04 1.25 -0.73 0.00 0.00 179.01 180.06 2ki8 h LEU 140 N 0.50 1.01 -0.22 1.64 6.46 -0.36 -2.00 115.31 122.33 2ki8 h LEU 140 Ca 0.13 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2ki8 h LEU 140 Cb -0.02 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.63 2ki8 h LEU 140 CO -0.03 1.03 0.14 -0.07 -0.62 0.00 0.00 178.44 178.90 2ki8 h LEU 141 N 0.96 0.25 -1.49 2.25 3.38 -0.59 -1.36 115.31 118.70 2ki8 h LEU 141 Ca 0.18 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.19 2ki8 h LEU 141 Cb 0.50 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2ki8 h LEU 141 CO 0.02 0.19 0.41 -0.33 0.09 0.00 0.00 178.44 178.83 2ki8 h GLU 142 N 0.29 0.61 -0.14 1.13 5.08 -0.94 0.18 114.58 120.78 2ki8 h GLU 142 Ca 0.08 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2ki8 h GLU 142 Cb -0.02 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 2ki8 h GLU 142 CO -0.02 0.40 -0.11 0.00 -1.00 0.00 0.00 179.01 178.29 2ki8 h ALA 143 N 1.66 0.20 -0.00 3.43 0.00 -0.86 -3.15 119.26 120.53 2ki8 h ALA 143 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ki8 h ALA 143 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2ki8 h ALA 143 CO -0.08 0.04 -0.04 0.44 0.00 0.00 0.00 179.25 179.61 2ki8 n ILE 144 N -4.61 0.00 -1.70 0.00 -6.64 -0.56 -4.93 119.36 100.92 2ki8 n ILE 144 Ca -0.06 -0.02 0.00 0.00 -1.77 0.00 0.00 62.75 60.90 2ki8 n ILE 144 Cb 0.33 -0.36 0.00 0.00 -1.44 0.00 0.00 39.64 38.17 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 1.25 0.96 0.73 3.28 0.00 0.35 -5.07 105.19 106.69 2ki8 n GLY 145 Ca 0.15 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.80 2ki8 n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06