#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 -3.10 3.44 3.17 0.00 -1.26 -5.07 105.19 102.37 2ki8 n GLY 2 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.26 -0.64 -0.43 1.61 1.04 -1.26 -5.13 113.70 104.64 2ki8 s SER 3 Ca 0.00 0.89 -0.23 0.00 0.48 0.00 0.00 55.95 57.09 2ki8 s SER 3 Cb 0.00 1.72 0.02 0.00 0.10 0.00 0.00 66.02 67.86 2ki8 s SER 3 CO 0.00 -0.12 0.79 -0.94 0.98 0.00 0.00 173.24 173.94 2ki8 s SER 4 N 2.46 6.45 0.49 7.02 1.04 -1.26 -5.05 113.70 124.85 2ki8 s SER 4 Ca -0.03 0.02 -0.18 0.00 0.48 0.00 0.00 55.95 56.24 2ki8 s SER 4 Cb -0.07 -2.39 -0.09 0.00 0.10 0.00 0.00 66.02 63.58 2ki8 s SER 4 CO -0.18 -0.87 0.98 -1.38 0.98 0.00 0.00 173.24 172.78 2ki8 s HIS 5 N 3.25 3.32 0.34 5.02 0.00 -1.26 -5.09 115.29 120.87 2ki8 s HIS 5 Ca 0.30 1.53 0.10 0.00 -3.00 0.00 0.00 55.06 53.99 2ki8 s HIS 5 Cb -0.12 -2.86 -0.06 0.00 -4.00 0.00 0.00 32.58 25.54 2ki8 s HIS 5 CO 0.21 -0.39 -0.10 -3.38 -1.00 0.00 0.00 174.74 170.08 2ki8 s HIS 6 N -2.40 2.40 0.27 0.38 0.00 -1.26 -5.16 115.29 109.52 2ki8 s HIS 6 Ca 0.61 -0.49 0.01 0.00 -3.00 0.00 0.00 55.06 52.19 2ki8 s HIS 6 Cb -0.11 -1.36 -0.03 0.00 -4.00 0.00 0.00 32.58 27.09 2ki8 s HIS 6 CO 0.24 0.59 0.26 -1.01 -1.00 0.00 0.00 174.74 173.83 2ki8 s HIS 7 N -2.60 1.28 0.01 0.38 4.02 -1.26 -5.18 115.29 111.93 2ki8 s HIS 7 Ca 0.32 -1.41 0.00 0.00 1.02 0.00 0.00 55.06 55.00 2ki8 s HIS 7 Cb 0.02 -0.47 -0.01 0.00 -1.02 0.00 0.00 32.58 31.10 2ki8 s HIS 7 CO 0.16 -0.83 -0.01 -3.38 1.02 0.00 0.00 174.74 171.70 2ki8 s HIS 8 N -3.74 0.12 -0.03 1.40 0.00 -1.26 -5.16 115.29 106.63 2ki8 s HIS 8 Ca 0.37 -0.22 0.04 0.00 -3.00 0.00 0.00 55.06 52.25 2ki8 s HIS 8 Cb 0.04 -0.09 -0.03 0.00 -4.00 0.00 0.00 32.58 28.50 2ki8 s HIS 8 CO 0.18 -0.08 -0.15 -1.01 -1.00 0.00 0.00 174.74 172.69 2ki8 s HIS 9 N -0.60 2.68 -0.01 0.38 4.02 -1.26 -5.12 115.29 115.38 2ki8 s HIS 9 Ca -0.06 -0.17 -0.16 0.00 1.02 0.00 0.00 55.06 55.69 2ki8 s HIS 9 Cb -0.04 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.58 29.87 2ki8 s HIS 9 CO -0.00 0.21 0.44 -3.38 1.02 0.00 0.00 174.74 173.02 2ki8 s HIS 10 N -0.78 3.70 -0.21 1.40 0.00 -1.26 -5.09 115.29 113.05 2ki8 s HIS 10 Ca 0.12 1.00 -0.11 0.00 -3.00 0.00 0.00 55.06 53.08 2ki8 s HIS 10 Cb -0.11 -2.36 0.07 0.00 -4.00 0.00 0.00 32.58 26.19 2ki8 s HIS 10 CO 0.02 0.55 0.50 -1.54 -1.00 0.00 0.00 174.74 173.27 2ki8 s SER 11 N -0.76 -0.64 -0.28 7.38 1.04 -1.26 -5.16 113.70 114.02 2ki8 s SER 11 Ca 0.24 1.11 -0.21 0.00 0.48 0.00 0.00 55.95 57.57 2ki8 s SER 11 Cb -0.17 1.10 0.11 0.00 0.10 0.00 0.00 66.02 67.16 2ki8 s SER 11 CO 0.13 -0.21 0.91 -0.55 0.98 0.00 0.00 173.24 174.50 2ki8 s SER 12 N 1.70 -0.60 -0.50 7.02 0.15 -1.26 -5.12 113.70 115.09 2ki8 s SER 12 Ca -0.08 1.07 0.06 0.00 0.70 0.00 0.00 55.95 57.70 2ki8 s SER 12 Cb -0.08 1.15 0.21 0.00 -1.71 0.00 0.00 66.02 65.59 2ki8 s SER 12 CO -0.15 -0.18 0.81 0.61 1.20 0.00 0.00 173.24 175.53 2ki8 n GLY 13 N 2.99 -0.33 3.34 9.45 0.00 -1.26 -5.13 105.19 114.25 2ki8 n GLY 13 Ca -0.15 0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 0.79 3.28 0.43 1.61 1.81 -1.26 -5.11 118.95 120.50 2ki8 s ARG 14 Ca 0.31 -0.71 0.05 0.00 -1.72 0.00 0.00 55.73 53.66 2ki8 s ARG 14 Cb 0.11 -3.19 0.05 0.00 -0.45 0.00 0.00 34.95 31.47 2ki8 s ARG 14 CO -0.14 -0.30 0.38 0.39 -0.68 0.00 0.00 175.30 174.95 2ki8 n GLU 15 N 4.83 0.83 -4.59 3.54 -0.58 -1.26 -5.14 120.64 118.28 2ki8 n GLU 15 Ca -0.16 -2.59 -0.29 0.00 -0.42 0.00 0.00 57.16 53.69 2ki8 n GLU 15 Cb 0.50 0.18 -0.17 0.00 -0.57 0.00 0.00 31.44 31.38 2ki8 n GLU 15 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2ki8 s ASN 16 N -3.55 2.55 -0.13 1.62 2.47 -1.26 -5.12 114.94 111.52 2ki8 s ASN 16 Ca 0.29 -0.46 0.01 0.00 0.42 0.00 0.00 52.86 53.12 2ki8 s ASN 16 Cb -0.02 -1.16 -0.01 0.00 -1.45 0.00 0.00 41.25 38.61 2ki8 s ASN 16 CO 0.18 0.04 -0.17 -0.76 -3.72 0.00 0.00 177.10 172.68 2ki8 s LEU 17 N 0.86 2.48 0.19 3.21 1.02 -1.26 -5.14 118.68 120.03 2ki8 s LEU 17 Ca -0.09 -0.43 0.06 0.00 0.02 0.00 0.00 54.13 53.69 2ki8 s LEU 17 Cb -0.15 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.47 2ki8 s LEU 17 CO 0.00 0.14 0.10 -0.72 0.02 0.00 0.00 176.35 175.89 2ki8 s TYR 18 N 0.50 3.04 0.36 0.29 1.13 -1.26 -5.14 117.35 116.27 2ki8 s TYR 18 Ca -0.11 -0.07 0.09 0.00 -1.41 0.00 0.00 57.07 55.56 2ki8 s TYR 18 Cb -0.16 -1.44 -0.07 0.00 -1.10 0.00 0.00 41.96 39.19 2ki8 s TYR 18 CO 0.05 0.52 -0.06 -0.06 -2.51 0.00 0.00 175.55 173.49 2ki8 s PHE 19 N -1.83 2.44 0.00 -3.49 0.08 -1.26 -5.09 117.98 108.83 2ki8 s PHE 19 Ca 0.30 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.81 2ki8 s PHE 19 Cb -0.09 -1.49 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 2ki8 s PHE 19 CO 0.22 0.55 0.00 0.00 -0.10 0.00 0.00 175.22 175.89 2ki8 n GLN 20 N -0.85 0.00 -3.70 0.44 10.64 -1.26 -5.15 117.38 117.50 2ki8 n GLN 20 Ca -0.05 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.04 2ki8 n GLN 20 Cb 0.64 -0.53 -0.02 0.00 -0.86 0.00 0.00 30.24 29.47 2ki8 n GLN 20 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2ki8 s GLY 21 N -3.95 -0.28 -0.17 2.61 0.00 -1.26 -5.16 107.32 99.10 2ki8 s GLY 21 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.74 2ki8 s GLY 21 CO 0.00 0.01 -0.19 -2.38 0.00 0.00 0.00 173.10 170.54 2ki8 s HIS 22 N -3.81 2.76 0.27 1.90 -3.43 -1.26 -5.12 115.29 106.60 2ki8 s HIS 22 Ca 0.08 -1.48 -0.27 0.00 -0.80 0.00 0.00 55.06 52.59 2ki8 s HIS 22 Cb -0.04 -1.90 -0.09 0.00 -1.43 0.00 0.00 32.58 29.12 2ki8 s HIS 22 CO -0.00 -0.71 0.92 0.00 -2.00 0.00 0.00 174.74 172.94 2ki8 s MET 23 N 1.13 4.69 -0.04 -0.38 0.23 -1.26 -4.83 119.30 118.83 2ki8 s MET 23 Ca 0.01 1.36 -0.01 0.00 -1.03 0.00 0.00 55.69 56.02 2ki8 s MET 23 Cb -0.14 -3.06 -0.04 0.00 -1.53 0.00 0.00 34.83 30.07 2ki8 s MET 23 CO -0.08 0.42 0.05 -0.51 -2.03 0.00 0.00 175.02 172.86 2ki8 s LEU 24 N -1.58 3.78 -0.42 0.18 1.02 -0.63 -4.90 118.68 116.13 2ki8 s LEU 24 Ca 0.45 0.16 -0.28 0.00 0.02 0.00 0.00 54.13 54.47 2ki8 s LEU 24 Cb -0.22 -2.06 0.02 0.00 0.02 0.00 0.00 46.19 43.96 2ki8 s LEU 24 CO 0.28 0.32 1.07 -0.70 0.02 0.00 0.00 176.35 177.34 2ki8 s GLU 25 N -1.35 3.80 0.19 1.70 2.12 -1.26 -0.60 118.70 123.29 2ki8 s GLU 25 Ca 0.18 0.64 0.07 0.00 0.36 0.00 0.00 54.97 56.22 2ki8 s GLU 25 Cb -0.12 -3.86 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 2ki8 s GLU 25 CO 0.08 -1.19 -0.13 0.14 -0.54 0.00 0.00 175.26 173.62 2ki8 s VAL 26 N 4.06 1.56 -0.34 3.70 -7.23 0.63 -4.74 120.40 118.03 2ki8 s VAL 26 Ca 0.45 -2.16 -0.14 0.00 -1.81 0.00 0.00 61.98 58.31 2ki8 s VAL 26 Cb -0.09 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 2ki8 s VAL 26 CO 0.26 -0.63 0.29 -0.70 -0.31 0.00 0.00 175.10 174.01 2ki8 s GLU 27 N -3.68 3.51 -0.37 4.82 2.12 -0.73 0.44 118.70 124.81 2ki8 s GLU 27 Ca 0.21 -0.56 -0.23 0.00 0.36 0.00 0.00 54.97 54.76 2ki8 s GLU 27 Cb 0.00 -3.81 0.01 0.00 0.26 0.00 0.00 34.13 30.59 2ki8 s GLU 27 CO 0.05 -0.48 0.75 0.08 -0.54 0.00 0.00 175.26 175.12 2ki8 s VAL 28 N 1.84 4.75 0.27 3.70 1.01 0.16 -0.97 120.40 131.18 2ki8 s VAL 28 Ca 0.08 0.77 0.03 0.00 0.00 0.00 0.00 61.98 62.86 2ki8 s VAL 28 Cb -0.17 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 2ki8 s VAL 28 CO 0.11 -0.45 0.42 -0.63 0.00 0.00 0.00 175.10 174.56 2ki8 s ILE 29 N 3.04 5.21 -0.27 2.22 1.01 -0.16 0.41 121.20 132.66 2ki8 s ILE 29 Ca 0.30 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2ki8 s ILE 29 Cb -0.13 -3.86 0.08 0.00 0.01 0.00 0.00 42.46 38.56 2ki8 s ILE 29 CO 0.17 -0.40 -0.00 -0.44 0.00 0.00 0.00 174.94 174.27 2ki8 s SER 30 N -3.97 4.03 -0.19 3.58 0.01 -1.23 -1.11 113.70 114.82 2ki8 s SER 30 Ca 0.36 -1.44 -0.15 0.00 1.31 0.00 0.00 55.95 56.03 2ki8 s SER 30 Cb -0.09 -1.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 2ki8 s SER 30 CO 0.31 -0.30 0.35 -0.83 0.41 0.00 0.00 173.24 173.18 2ki8 s GLY 31 N 1.36 2.13 -1.21 3.44 0.00 -0.67 -4.62 107.32 107.75 2ki8 s GLY 31 Ca 0.01 -0.52 -0.20 0.00 0.00 0.00 0.00 44.72 44.00 2ki8 s GLY 31 CO -0.10 0.67 1.77 -1.60 0.00 0.00 0.00 173.10 173.83 2ki8 s ARG 32 N 1.01 3.45 0.04 2.90 3.52 -1.26 -0.73 118.95 127.88 2ki8 s ARG 32 Ca 0.18 -1.56 0.22 0.00 -0.13 0.00 0.00 55.73 54.43 2ki8 s ARG 32 Cb -0.14 -5.41 -0.17 0.00 -1.56 0.00 0.00 34.95 27.67 2ki8 s ARG 32 CO 0.07 -2.79 0.76 -2.37 -0.81 0.00 0.00 175.30 170.16 2ki8 n THR 33 N 6.93 0.16 -3.78 4.11 5.66 -1.26 -4.99 114.28 121.11 2ki8 n THR 33 Ca 0.45 -0.40 -0.12 0.00 -3.05 0.00 0.00 64.05 60.94 2ki8 n THR 33 Cb 0.47 0.09 -0.08 0.00 -1.55 0.00 0.00 70.33 69.26 2ki8 n THR 33 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2ki8 s LEU 34 N -4.38 1.02 -0.04 1.09 2.96 -1.26 -5.09 118.68 112.97 2ki8 s LEU 34 Ca -0.02 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.68 2ki8 s LEU 34 Cb 0.13 1.21 0.01 0.00 0.50 0.00 0.00 46.19 48.05 2ki8 s LEU 34 CO 0.86 -0.55 0.06 0.59 -1.32 0.00 0.00 176.35 175.99 2ki8 n ASN 35 N 0.79 -3.38 0.06 3.68 3.02 -1.26 -4.82 115.26 113.34 2ki8 n ASN 35 Ca -0.19 0.77 -0.04 0.00 -0.03 0.00 0.00 54.58 55.09 2ki8 n ASN 35 Cb 0.58 -3.05 -0.09 0.00 -0.61 0.00 0.00 39.78 36.62 2ki8 n ASN 35 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2ki8 h GLN 36 N 2.02 0.00 0.00 3.52 4.20 -1.98 -3.45 115.11 119.41 2ki8 h GLN 36 Ca -0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2ki8 h GLN 36 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2ki8 h GLN 36 CO 0.00 0.67 0.00 0.41 -0.67 0.00 0.00 178.83 179.25 2ki8 n GLY 37 N 1.37 -1.88 3.23 3.46 0.00 -1.26 -5.18 105.19 104.93 2ki8 n GLY 37 Ca -0.05 0.89 -0.13 0.00 0.00 0.00 0.00 46.02 46.73 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 1.28 0.68 4.61 0.00 -1.26 -5.17 121.76 121.91 2ki8 s ALA 38 Ca 0.00 -1.53 -0.06 0.00 0.00 0.00 0.00 51.96 50.37 2ki8 s ALA 38 Cb 0.00 0.40 0.05 0.00 0.00 0.00 0.00 23.12 23.58 2ki8 s ALA 38 CO 0.00 -0.28 0.99 0.95 0.00 0.00 0.00 175.76 177.42 2ki8 s THR 39 N -3.61 2.43 0.27 0.00 -4.23 -1.26 -4.98 115.64 104.25 2ki8 s THR 39 Ca 0.20 -0.26 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 2ki8 s THR 39 Cb 0.06 -3.04 0.04 0.00 1.34 0.00 0.00 72.50 70.89 2ki8 s THR 39 CO 0.02 -0.05 1.68 -0.37 -0.54 0.00 0.00 174.62 175.36 2ki8 h VAL 40 N -0.52 1.29 0.00 2.29 -1.51 -2.00 -2.82 116.25 112.97 2ki8 h VAL 40 Ca -0.44 -1.42 -0.11 0.00 -1.23 0.00 0.00 66.70 63.50 2ki8 h VAL 40 Cb 1.31 1.50 -0.02 0.00 -2.13 0.00 0.00 31.29 31.95 2ki8 h VAL 40 CO 0.60 0.44 -0.51 -0.08 -1.23 0.00 0.00 177.57 176.80 2ki8 h GLU 41 N 0.38 0.00 -0.43 5.19 4.22 -1.99 0.78 114.58 122.73 2ki8 h GLU 41 Ca 0.04 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.61 2ki8 h GLU 41 Cb 0.78 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2ki8 h GLU 41 CO 0.06 0.51 0.33 1.49 -2.18 0.00 0.00 179.01 179.22 2ki8 h GLU 42 N 0.00 0.00 0.00 1.92 4.22 -1.88 -3.35 114.58 115.49 2ki8 h GLU 42 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2ki8 h GLU 42 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2ki8 h GLU 42 CO 0.07 0.00 0.00 1.63 -2.18 0.00 0.00 179.01 178.53 2ki8 n LYS 43 N -4.27 0.00 -0.92 1.92 4.01 -1.02 -4.99 118.16 112.90 2ki8 n LYS 43 Ca 0.07 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.84 2ki8 n LYS 43 Cb 0.53 -0.16 -0.01 0.00 -0.51 0.00 0.00 35.03 34.87 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 -1.92 0.37 -4.79 -0.35 4.77 0.24 -4.97 117.00 110.35 2ki8 n LEU 44 Ca 0.00 0.08 -0.31 0.00 -0.03 0.00 0.00 56.01 55.75 2ki8 n LEU 44 Cb 0.00 -2.11 0.07 0.00 -2.33 0.00 0.00 43.42 39.05 2ki8 n LEU 44 CO 0.00 -0.79 0.70 0.28 -1.33 0.00 0.00 177.39 176.25 2ki8 s THR 45 N -1.11 3.61 0.37 -5.08 -1.32 -1.26 -4.92 115.64 105.93 2ki8 s THR 45 Ca 0.00 0.52 0.06 0.00 -1.21 0.00 0.00 61.69 61.06 2ki8 s THR 45 Cb 0.00 -3.12 0.29 0.00 -1.51 0.00 0.00 72.50 68.16 2ki8 s THR 45 CO 0.00 -0.68 1.99 -0.08 -2.21 0.00 0.00 174.62 173.64 2ki8 h GLU 46 N -0.96 0.69 -0.79 7.08 4.81 -1.99 0.14 114.58 123.56 2ki8 h GLU 46 Ca -0.44 -0.04 0.16 0.00 -0.13 0.00 0.00 59.36 58.91 2ki8 h GLU 46 Cb 1.22 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 2ki8 h GLU 46 CO 0.54 0.46 0.53 0.93 -0.73 0.00 0.00 179.01 180.73 2ki8 h GLU 47 N 0.71 0.43 -0.19 1.92 5.08 -2.00 0.44 114.58 120.99 2ki8 h GLU 47 Ca 0.27 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 2ki8 h GLU 47 Cb 0.16 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2ki8 h GLU 47 CO -0.08 0.28 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.16 2ki8 h TYR 48 N 0.44 0.32 -0.14 4.33 5.03 -1.31 0.14 116.97 125.78 2ki8 h TYR 48 Ca 0.39 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.66 2ki8 h TYR 48 Cb 0.88 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.07 2ki8 h TYR 48 CO -0.00 0.44 0.00 0.34 -1.32 0.00 0.00 178.16 177.61 2ki8 n PHE 49 N -4.25 0.18 0.00 -3.82 7.35 0.13 -3.83 117.46 113.21 2ki8 n PHE 49 Ca -0.00 -0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 2ki8 n PHE 49 Cb 0.29 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.12 2ki8 n PHE 49 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2ki8 n ASN 50 N 0.06 4.05 0.15 -2.13 3.02 -0.81 -4.70 115.26 114.91 2ki8 n ASN 50 Ca 0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.58 2ki8 n ASN 50 Cb 0.26 0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.53 2ki8 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ki8 h ALA 51 N 0.00 -0.44 -0.51 5.41 0.00 -0.89 -3.33 119.26 119.52 2ki8 h ALA 51 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ki8 h ALA 51 Cb 0.93 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ki8 h ALA 51 CO 0.00 -0.51 0.00 1.33 0.00 0.00 0.00 179.25 180.07 2ki8 n VAL 52 N -5.10 1.84 -0.89 0.00 0.24 -1.25 -4.38 118.33 108.80 2ki8 n VAL 52 Ca -0.09 -1.05 0.08 0.00 -2.04 0.00 0.00 64.34 61.24 2ki8 n VAL 52 Cb 0.27 -0.12 0.37 0.00 -1.47 0.00 0.00 33.84 32.89 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 0.72 5.27 -4.02 -1.34 5.03 -1.25 -4.60 115.26 115.07 2ki8 n ASN 53 Ca 0.22 -2.90 -0.12 0.00 0.87 0.00 0.00 54.58 52.65 2ki8 n ASN 53 Cb 0.88 -0.64 -0.08 0.00 -1.02 0.00 0.00 39.78 38.91 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 -2.68 0.94 -0.02 3.10 -0.85 -1.26 -1.01 117.35 115.57 2ki8 s TYR 54 Ca 0.52 -1.19 0.02 0.00 -0.52 0.00 0.00 57.07 55.90 2ki8 s TYR 54 Cb 0.39 -0.30 0.00 0.00 0.38 0.00 0.00 41.96 42.43 2ki8 s TYR 54 CO 0.15 -0.80 -0.07 0.00 -1.52 0.00 0.00 175.55 173.31 2ki8 s ALA 55 N -4.00 0.72 -0.30 9.51 0.00 -0.34 -4.38 121.76 122.96 2ki8 s ALA 55 Ca 0.33 -0.27 -0.23 0.00 0.00 0.00 0.00 51.96 51.79 2ki8 s ALA 55 Cb 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2ki8 s ALA 55 CO 0.13 0.12 0.79 -1.21 0.00 0.00 0.00 175.76 175.58 2ki8 s GLU 56 N 0.18 3.97 0.00 0.00 2.02 0.59 -1.49 118.70 123.97 2ki8 s GLU 56 Ca -0.02 0.59 0.05 0.00 0.02 0.00 0.00 54.97 55.60 2ki8 s GLU 56 Cb -0.07 -3.72 -0.03 0.00 0.10 0.00 0.00 34.13 30.40 2ki8 s GLU 56 CO 0.00 -0.67 -0.13 0.42 0.02 0.00 0.00 175.26 174.91 2ki8 s ILE 57 N 2.94 3.21 0.46 -1.63 1.01 0.92 -1.42 121.20 126.69 2ki8 s ILE 57 Ca 0.32 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 59.84 2ki8 s ILE 57 Cb -0.14 -2.35 -0.07 0.00 0.01 0.00 0.00 42.46 39.91 2ki8 s ILE 57 CO 0.12 0.43 1.25 0.21 0.00 0.00 0.00 174.94 176.95 2ki8 s ASN 58 N -1.25 6.02 0.41 3.58 3.84 -1.26 -0.84 114.94 125.45 2ki8 s ASN 58 Ca 0.15 2.53 0.09 0.00 0.21 0.00 0.00 52.86 55.84 2ki8 s ASN 58 Cb -0.11 -2.62 0.86 0.00 -0.55 0.00 0.00 41.25 38.83 2ki8 s ASN 58 CO 0.05 -1.04 1.99 -0.08 -2.79 0.00 0.00 177.10 175.23 2ki8 h GLU 59 N 2.14 0.32 0.66 0.43 4.81 -1.86 0.98 114.58 122.07 2ki8 h GLU 59 Ca -0.50 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.66 2ki8 h GLU 59 Cb 1.26 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 2ki8 h GLU 59 CO 0.60 0.33 -0.37 0.93 -0.73 0.00 0.00 179.01 179.77 2ki8 h GLU 60 N 0.32 -0.93 -0.62 1.92 4.39 -1.96 0.16 114.58 117.86 2ki8 h GLU 60 Ca 0.08 0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 2ki8 h GLU 60 Cb 0.18 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2ki8 h GLU 60 CO 0.00 -0.62 0.26 -0.44 -1.16 0.00 0.00 179.01 177.05 2ki8 h ASP 61 N -0.96 0.82 -0.19 1.42 5.19 -1.90 0.14 116.42 120.95 2ki8 h ASP 61 Ca -0.08 -0.10 0.05 0.00 -0.62 0.00 0.00 57.03 56.27 2ki8 h ASP 61 Cb 0.76 -0.21 -0.06 0.00 0.18 0.00 0.00 39.33 40.01 2ki8 h ASP 61 CO 0.11 0.73 -0.17 -0.25 -3.12 0.00 0.00 179.24 176.53 2ki8 h TRP 62 N 0.89 -0.45 -0.48 4.55 2.91 -0.61 -0.06 115.95 122.69 2ki8 h TRP 62 Ca 0.21 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 60.15 2ki8 h TRP 62 Cb 0.16 0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 29.02 2ki8 h TRP 62 CO 0.01 -0.25 -0.13 -0.91 -1.03 0.00 0.00 178.44 176.13 2ki8 h ASN 63 N -0.19 0.91 -0.38 2.65 4.21 -0.36 -0.53 115.58 121.89 2ki8 h ASN 63 Ca 0.12 -0.30 0.00 0.00 1.21 0.00 0.00 56.30 57.33 2ki8 h ASN 63 Cb 0.37 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.30 2ki8 h ASN 63 CO -0.30 1.04 0.24 0.00 -1.29 0.00 0.00 177.43 177.13 2ki8 h ALA 64 N 1.03 1.70 -0.01 -0.83 0.00 -0.20 -1.78 119.26 119.18 2ki8 h ALA 64 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ki8 h ALA 64 Cb 0.66 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2ki8 h ALA 64 CO 0.05 0.27 -0.56 1.28 0.00 0.00 0.00 179.25 180.29 2ki8 n LEU 65 N -4.46 1.09 -2.89 0.00 4.77 -0.08 -4.90 117.00 110.53 2ki8 n LEU 65 Ca 0.03 -0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 55.51 2ki8 n LEU 65 Cb 0.07 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.13 2ki8 n LEU 65 CO 0.35 0.23 0.11 0.61 -1.33 0.00 0.00 177.39 177.36 2ki8 n GLY 66 N 1.44 -0.19 3.81 -0.72 0.00 -0.58 -4.85 105.19 104.11 2ki8 n GLY 66 Ca 0.08 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.48 4.43 0.12 0.99 1.43 -0.31 -5.03 118.68 114.83 2ki8 s LEU 67 Ca 0.08 1.42 0.06 0.00 -1.03 0.00 0.00 54.13 54.66 2ki8 s LEU 67 Cb -0.04 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 2ki8 s LEU 67 CO 0.57 0.12 -0.03 -1.58 0.23 0.00 0.00 176.35 175.66 2ki8 s GLN 68 N -1.65 2.39 -0.42 1.70 0.74 -1.26 -4.86 119.66 116.30 2ki8 s GLN 68 Ca 0.39 -0.97 -0.27 0.00 0.05 0.00 0.00 55.36 54.56 2ki8 s GLN 68 Cb -0.18 -2.42 -0.04 0.00 1.10 0.00 0.00 33.01 31.46 2ki8 s GLN 68 CO 0.22 0.51 2.14 -1.21 -0.55 0.00 0.00 175.29 176.39 2ki8 s GLU 69 N -2.47 2.68 0.00 1.67 2.02 -1.26 -1.22 118.70 120.12 2ki8 s GLU 69 Ca 0.25 1.40 0.00 0.00 0.02 0.00 0.00 54.97 56.64 2ki8 s GLU 69 Cb -0.11 -4.42 0.00 0.00 0.10 0.00 0.00 34.13 29.70 2ki8 s GLU 69 CO 0.17 -2.62 0.00 0.41 0.02 0.00 0.00 175.26 173.24 2ki8 n GLY 70 N 5.77 0.96 3.62 -1.39 0.00 -1.18 -5.10 105.19 107.88 2ki8 n GLY 70 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 2ki8 n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ki8 s ASP 71 N -0.23 1.83 -0.19 1.61 1.11 -0.36 -4.75 116.67 115.70 2ki8 s ASP 71 Ca 0.00 1.05 -0.04 0.00 0.18 0.00 0.00 52.55 53.74 2ki8 s ASP 71 Cb 0.00 -1.62 -0.02 0.00 1.07 0.00 0.00 42.92 42.35 2ki8 s ASP 71 CO 0.00 -3.61 -0.03 -0.13 1.18 0.00 0.00 175.17 172.58 2ki8 s ARG 72 N -5.02 3.56 0.15 8.23 0.52 -1.26 -0.40 118.95 124.72 2ki8 s ARG 72 Ca 0.67 -0.56 0.08 0.00 -0.52 0.00 0.00 55.73 55.41 2ki8 s ARG 72 Cb -0.17 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.27 2ki8 s ARG 72 CO 0.58 0.05 -0.10 0.14 0.02 0.00 0.00 175.30 175.99 2ki8 s VAL 73 N 0.88 3.26 -0.15 3.52 -7.23 0.39 -2.00 120.40 119.07 2ki8 s VAL 73 Ca -0.00 -1.48 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2ki8 s VAL 73 Cb -0.14 -2.57 0.02 0.00 0.56 0.00 0.00 36.38 34.25 2ki8 s VAL 73 CO 0.02 -0.01 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.90 2ki8 s LYS 74 N -2.54 2.37 -0.18 4.82 2.20 0.83 -0.41 119.74 126.84 2ki8 s LYS 74 Ca 0.23 -0.59 -0.08 0.00 -0.36 0.00 0.00 55.97 55.17 2ki8 s LYS 74 Cb -0.10 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 34.05 2ki8 s LYS 74 CO 0.14 -0.20 0.08 0.08 -0.36 0.00 0.00 175.35 175.09 2ki8 s VAL 75 N 1.38 4.97 -0.12 4.02 1.01 -0.14 -2.10 120.40 129.43 2ki8 s VAL 75 Ca 0.03 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.07 2ki8 s VAL 75 Cb -0.13 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2ki8 s VAL 75 CO -0.09 0.47 -0.21 -0.54 0.00 0.00 0.00 175.10 174.72 2ki8 s LYS 76 N 0.25 3.10 0.09 2.72 3.01 0.04 -1.75 119.74 127.19 2ki8 s LYS 76 Ca 0.05 -0.83 0.01 0.00 -1.01 0.00 0.00 55.97 54.19 2ki8 s LYS 76 Cb -0.12 -2.42 -0.00 0.00 -1.01 0.00 0.00 37.83 34.28 2ki8 s LYS 76 CO -0.00 0.10 0.03 0.25 0.51 0.00 0.00 175.35 176.24 2ki8 n THR 77 N 3.78 0.00 0.34 2.17 -2.24 0.03 0.10 114.28 118.46 2ki8 n THR 77 Ca -0.19 -0.54 0.14 0.00 -2.27 0.00 0.00 64.05 61.19 2ki8 n THR 77 Cb 0.52 0.19 0.59 0.00 -2.10 0.00 0.00 70.33 69.54 2ki8 n THR 77 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2ki8 h GLU 78 N 0.00 0.00 0.03 -0.78 4.11 -1.86 -3.26 114.58 112.82 2ki8 h GLU 78 Ca -0.07 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.03 2ki8 h GLU 78 Cb 0.27 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2ki8 h GLU 78 CO 0.11 0.00 -1.84 1.19 0.07 0.00 0.00 179.01 178.55 2ki8 n PHE 79 N -2.52 0.73 -2.12 2.06 3.72 -1.26 -5.11 117.46 112.95 2ki8 n PHE 79 Ca 0.01 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 2ki8 n PHE 79 Cb 0.23 -1.08 0.00 0.00 -0.94 0.00 0.00 39.48 37.69 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 1.58 -0.63 3.22 1.37 0.00 -1.03 -4.95 105.19 104.75 2ki8 n GLY 80 Ca -0.39 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.11 1.01 -0.20 1.61 -1.05 -1.25 -0.79 118.70 117.92 2ki8 s GLU 81 Ca 0.00 -1.44 -0.27 0.00 -0.15 0.00 0.00 54.97 53.11 2ki8 s GLU 81 Cb 0.00 -0.40 0.07 0.00 -0.44 0.00 0.00 34.13 33.36 2ki8 s GLU 81 CO 0.00 -0.01 0.73 0.54 0.95 0.00 0.00 175.26 177.47 2ki8 s VAL 82 N -3.51 0.00 -0.27 1.83 0.11 -0.72 -4.80 120.40 113.04 2ki8 s VAL 82 Ca 0.17 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.13 2ki8 s VAL 82 Cb 0.04 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2ki8 s VAL 82 CO -0.00 0.00 0.12 -0.69 -3.33 0.00 0.00 175.10 171.20 2ki8 s VAL 83 N -0.14 4.65 0.40 2.04 1.01 -1.26 -0.96 120.40 126.15 2ki8 s VAL 83 Ca -0.03 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2ki8 s VAL 83 Cb -0.03 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2ki8 s VAL 83 CO 0.03 0.25 0.13 0.68 0.00 0.00 0.00 175.10 176.19 2ki8 s VAL 84 N 1.65 0.61 0.31 2.92 -7.23 0.46 -2.21 120.40 116.91 2ki8 s VAL 84 Ca 0.06 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.97 2ki8 s VAL 84 Cb -0.16 -2.37 -0.10 0.00 0.56 0.00 0.00 36.38 34.32 2ki8 s VAL 84 CO 0.06 0.00 0.94 -0.36 -0.31 0.00 0.00 175.10 175.43 2ki8 s PHE 85 N -3.22 3.71 -0.26 2.82 0.08 -0.18 -0.46 117.98 120.47 2ki8 s PHE 85 Ca 0.25 1.78 -0.16 0.00 0.12 0.00 0.00 56.93 58.91 2ki8 s PHE 85 Cb 0.03 -2.92 -0.03 0.00 -0.57 0.00 0.00 43.02 39.53 2ki8 s PHE 85 CO 0.15 0.23 0.45 0.00 -0.10 0.00 0.00 175.22 175.95 2ki8 s ALA 86 N -1.59 3.58 0.07 5.36 0.00 0.46 -1.20 121.76 128.44 2ki8 s ALA 86 Ca 0.49 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.80 2ki8 s ALA 86 Cb -0.19 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 2ki8 s ALA 86 CO 0.24 -0.69 -0.13 0.15 0.00 0.00 0.00 175.76 175.33 2ki8 s LYS 87 N 2.18 0.76 -0.22 0.00 1.02 -0.56 -3.10 119.74 119.82 2ki8 s LYS 87 Ca 0.18 -0.93 -0.18 0.00 0.02 0.00 0.00 55.97 55.07 2ki8 s LYS 87 Cb -0.16 -0.70 -0.03 0.00 -0.52 0.00 0.00 37.83 36.42 2ki8 s LYS 87 CO 0.09 0.15 0.51 0.21 -0.92 0.00 0.00 175.35 175.39 2ki8 s LYS 88 N -1.77 4.15 0.44 1.68 2.20 -1.26 -0.06 119.74 125.13 2ki8 s LYS 88 Ca -0.03 0.36 0.05 0.00 -0.36 0.00 0.00 55.97 55.99 2ki8 s LYS 88 Cb -0.10 -3.59 -0.06 0.00 -1.51 0.00 0.00 37.83 32.58 2ki8 s LYS 88 CO 0.02 -0.21 0.01 0.20 -0.36 0.00 0.00 175.35 175.00 2ki8 s GLY 89 N 1.28 2.69 0.00 5.54 0.00 -0.02 -4.74 107.32 112.08 2ki8 s GLY 89 Ca 0.23 -1.63 0.04 0.00 0.00 0.00 0.00 44.72 43.35 2ki8 s GLY 89 CO 0.09 -2.13 1.10 1.22 0.00 0.00 0.00 173.10 173.38 2ki8 n ASP 90 N -1.07 0.58 -4.74 1.64 9.92 -1.26 -4.37 116.55 117.24 2ki8 n ASP 90 Ca -0.10 -1.98 -0.35 0.00 -0.53 0.00 0.00 54.79 51.83 2ki8 n ASP 90 Cb 0.67 -0.07 0.06 0.00 -0.64 0.00 0.00 41.12 41.14 2ki8 n ASP 90 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2ki8 s VAL 91 N -1.86 2.59 0.84 2.53 -7.23 -1.26 -5.02 120.40 110.99 2ki8 s VAL 91 Ca 0.08 0.31 -0.11 0.00 -1.81 0.00 0.00 61.98 60.45 2ki8 s VAL 91 Cb 0.04 -2.94 0.09 0.00 0.56 0.00 0.00 36.38 34.14 2ki8 s VAL 91 CO 0.06 -0.14 1.09 -2.16 -0.31 0.00 0.00 175.10 173.64 2ki8 s PRO 92 N -3.76 1.75 0.23 4.82 0.04 -1.26 -4.37 135.00 132.45 2ki8 s PRO 92 Ca 0.74 0.87 -0.31 0.00 0.04 0.00 0.00 61.00 62.34 2ki8 s PRO 92 Cb -0.28 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 2ki8 s PRO 92 CO 0.41 -1.91 1.53 0.21 0.04 0.00 0.00 177.00 177.27 2ki8 s LYS 93 N -4.98 4.22 -0.26 4.56 2.20 -1.26 -2.25 119.74 121.96 2ki8 s LYS 93 Ca 0.62 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.62 2ki8 s LYS 93 Cb -0.17 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 2ki8 s LYS 93 CO 0.56 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 2ki8 n GLY 94 N 2.81 0.44 3.23 5.54 0.00 -1.26 -5.03 105.19 110.92 2ki8 n GLY 94 Ca 0.10 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.06 0.39 0.03 1.61 0.00 -0.96 -1.77 119.30 115.54 2ki8 s MET 95 Ca 0.00 0.55 0.05 0.00 0.00 0.00 0.00 55.69 56.29 2ki8 s MET 95 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 34.83 34.94 2ki8 s MET 95 CO 0.00 -0.08 -0.14 0.96 0.00 0.00 0.00 175.02 175.76 2ki8 s ILE 96 N 0.53 1.09 -0.25 10.11 -4.36 -0.14 -4.17 121.20 124.00 2ki8 s ILE 96 Ca -0.03 -0.92 -0.07 0.00 -0.26 0.00 0.00 60.65 59.37 2ki8 s ILE 96 Cb -0.04 -0.98 -0.02 0.00 1.25 0.00 0.00 42.46 42.67 2ki8 s ILE 96 CO -0.03 0.05 0.07 0.12 0.24 0.00 0.00 174.94 175.39 2ki8 s PHE 97 N -0.76 3.08 -0.14 1.37 5.36 -0.51 -0.99 117.98 125.40 2ki8 s PHE 97 Ca 0.02 -0.52 0.01 0.00 -0.96 0.00 0.00 56.93 55.49 2ki8 s PHE 97 Cb -0.07 -2.24 -0.00 0.00 -0.34 0.00 0.00 43.02 40.37 2ki8 s PHE 97 CO 0.01 -0.40 -0.18 0.42 -1.46 0.00 0.00 175.22 173.62 2ki8 s ILE 98 N 1.60 2.49 0.23 3.12 1.01 -0.27 -0.30 121.20 129.08 2ki8 s ILE 98 Ca 0.06 -0.84 -0.32 0.00 0.00 0.00 0.00 60.65 59.55 2ki8 s ILE 98 Cb -0.15 -2.03 -0.12 0.00 0.01 0.00 0.00 42.46 40.17 2ki8 s ILE 98 CO 0.03 0.53 1.63 -0.81 0.00 0.00 0.00 174.94 176.32 2ki8 n PRO 99 N 3.94 2.58 -1.59 2.79 -0.04 -1.26 -1.67 135.00 139.76 2ki8 n PRO 99 Ca -0.19 0.93 -0.52 0.00 -0.04 0.00 0.00 63.50 63.68 2ki8 n PRO 99 Cb 0.52 -2.72 -0.06 0.00 -0.04 0.00 0.00 33.50 31.19 2ki8 n PRO 99 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ki8 n MET 100 N 3.14 1.42 -3.88 0.54 0.00 0.09 -4.64 117.12 113.79 2ki8 n MET 100 Ca 0.13 0.47 -0.03 0.00 -0.00 0.00 0.00 57.70 58.28 2ki8 n MET 100 Cb 0.34 -2.44 0.02 0.00 0.00 0.00 0.00 33.22 31.14 2ki8 n MET 100 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2ki8 s GLY 101 N 5.46 0.08 0.44 -5.12 0.00 -1.26 -4.74 107.32 102.18 2ki8 s GLY 101 Ca 1.02 -0.28 0.19 0.00 0.00 0.00 0.00 44.72 45.65 2ki8 s GLY 101 CO 0.54 2.60 1.89 -0.56 0.00 0.00 0.00 173.10 177.57 2ki8 h PRO 102 N 2.00 0.33 -0.17 2.90 0.13 -1.90 0.12 132.00 135.41 2ki8 h PRO 102 Ca -0.27 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 2ki8 h PRO 102 Cb 1.22 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2ki8 h PRO 102 CO 0.35 0.22 0.04 1.88 -0.23 0.00 0.00 178.00 180.25 2ki8 h TYR 103 N 0.34 0.28 -0.73 1.56 -1.99 -1.92 -2.78 116.97 111.72 2ki8 h TYR 103 Ca 0.42 -0.04 -0.06 0.00 2.00 0.00 0.00 58.73 61.05 2ki8 h TYR 103 Cb 1.11 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 39.73 2ki8 h TYR 103 CO -0.00 0.42 0.21 0.00 -0.00 0.00 0.00 178.16 178.78 2ki8 h ALA 104 N 0.83 0.99 0.00 3.88 0.00 -1.25 -2.53 119.26 121.18 2ki8 h ALA 104 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ki8 h ALA 104 Cb 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ki8 h ALA 104 CO 0.00 0.67 0.00 0.09 0.00 0.00 0.00 179.25 180.01 2ki8 n ASN 105 N -4.24 0.00 0.11 0.00 3.02 0.23 -0.24 115.26 114.13 2ki8 n ASN 105 Ca 0.06 0.29 0.01 0.00 -0.03 0.00 0.00 54.58 54.91 2ki8 n ASN 105 Cb 0.24 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 2ki8 n ASN 105 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2ki8 h MET 106 N 0.00 0.00 0.00 3.52 2.86 -1.19 -3.40 114.93 116.73 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 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2ki8 h MET 106 CO 0.00 0.49 -0.62 1.33 1.06 0.00 0.00 176.91 179.17 2ki8 n VAL 107 N -3.15 0.00 -3.20 -2.22 0.24 0.20 -2.48 118.33 107.73 2ki8 n VAL 107 Ca -0.01 -0.17 -0.18 0.00 -2.04 0.00 0.00 64.34 61.94 2ki8 n VAL 107 Cb 0.78 0.66 0.05 0.00 -1.47 0.00 0.00 33.84 33.85 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 -1.26 0.00 -3.22 1.34 -5.35 0.66 -4.55 119.36 106.98 2ki8 n ILE 108 Ca 0.00 -1.73 -0.42 0.00 -0.27 0.00 0.00 62.75 60.33 2ki8 n ILE 108 Cb 0.00 -0.48 -0.08 0.00 -1.74 0.00 0.00 39.64 37.34 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 -4.07 6.31 -0.06 7.28 -1.08 -1.26 -4.85 116.67 118.94 2ki8 s ASP 109 Ca 0.48 -0.14 0.07 0.00 -0.52 0.00 0.00 52.55 52.45 2ki8 s ASP 109 Cb -0.04 -2.27 0.33 0.00 -1.46 0.00 0.00 42.92 39.48 2ki8 s ASP 109 CO 0.30 -0.54 1.11 -0.81 0.52 0.00 0.00 175.17 175.75 2ki8 n PRO 110 N 5.83 2.34 -0.43 4.34 -0.04 -1.26 -3.96 135.00 141.82 2ki8 n PRO 110 Ca -0.04 -1.28 0.07 0.00 -0.04 0.00 0.00 63.50 62.21 2ki8 n PRO 110 Cb 0.49 -1.62 0.16 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.33 1.86 -4.62 3.54 2.88 -1.26 -5.04 113.62 111.31 2ki8 n SER 111 Ca 0.12 -3.40 -0.43 0.00 -1.33 0.00 0.00 58.87 53.83 2ki8 n SER 111 Cb 0.52 -0.46 -0.02 0.00 -0.75 0.00 0.00 64.21 63.49 2ki8 n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2ki8 s THR 112 N -2.79 4.15 -0.17 2.46 -4.23 -1.25 -4.81 115.64 109.00 2ki8 s THR 112 Ca 0.34 1.28 0.05 0.00 -1.18 0.00 0.00 61.69 62.18 2ki8 s THR 112 Cb 0.32 -4.24 -0.06 0.00 1.34 0.00 0.00 72.50 69.86 2ki8 s THR 112 CO -0.03 -0.57 0.18 -0.90 -0.54 0.00 0.00 174.62 172.76 2ki8 n ASP 113 N 7.74 1.17 -4.72 3.99 5.75 -1.26 -5.06 116.55 124.16 2ki8 n ASP 113 Ca 0.14 -0.45 -0.35 0.00 -0.01 0.00 0.00 54.79 54.11 2ki8 n ASP 113 Cb 0.47 1.06 0.08 0.00 -1.03 0.00 0.00 41.12 41.71 2ki8 n ASP 113 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2ki8 s GLY 114 N -1.75 2.58 -1.10 6.12 0.00 -1.26 -4.85 107.32 107.06 2ki8 s GLY 114 Ca 0.01 1.05 -0.20 0.00 0.00 0.00 0.00 44.72 45.57 2ki8 s GLY 114 CO 0.20 1.46 1.94 2.41 0.00 0.00 0.00 173.10 179.12 2ki8 n THR 115 N -2.38 2.49 -0.10 0.90 -1.04 -1.26 -4.48 114.28 108.41 2ki8 n THR 115 Ca 0.15 -2.39 -0.14 0.00 -2.04 0.00 0.00 64.05 59.63 2ki8 n THR 115 Cb 0.49 -2.33 -0.05 0.00 -1.82 0.00 0.00 70.33 66.63 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 5.00 -0.61 0.98 3.41 0.00 -1.26 -5.12 105.19 107.59 2ki8 n GLY 116 Ca 0.48 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.41 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 -4.44 -2.05 0.00 1.61 2.81 -1.26 -3.79 117.12 110.00 2ki8 n MET 117 Ca -0.23 1.45 0.00 0.00 -1.81 0.00 0.00 57.70 57.11 2ki8 n MET 117 Cb 0.57 -2.47 0.00 0.00 -0.71 0.00 0.00 33.22 30.61 2ki8 n MET 117 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2ki8 n PRO 118 N -3.48 0.00 -1.42 0.03 -0.02 -1.26 -4.76 135.00 124.10 2ki8 n PRO 118 Ca -0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.17 2ki8 n PRO 118 Cb 0.45 -1.04 0.19 0.00 -0.02 0.00 0.00 33.50 33.09 2ki8 n PRO 118 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2ki8 s GLN 119 N -0.25 -0.02 -1.44 -0.52 -0.21 -1.25 -4.91 119.66 111.07 2ki8 s GLN 119 Ca 0.00 -0.02 -0.09 0.00 0.02 0.00 0.00 55.36 55.28 2ki8 s GLN 119 Cb 0.00 -1.73 -0.06 0.00 1.00 0.00 0.00 33.01 32.22 2ki8 s GLN 119 CO 0.00 -2.92 2.89 0.34 -2.12 0.00 0.00 175.29 173.48 2ki8 n PHE 120 N -4.21 2.28 -5.08 0.91 7.35 -1.26 -4.85 117.46 112.59 2ki8 n PHE 120 Ca 0.11 -2.92 -0.29 0.00 -0.76 0.00 0.00 57.45 53.60 2ki8 n PHE 120 Cb 0.59 -2.29 -0.16 0.00 0.35 0.00 0.00 39.48 37.97 2ki8 n PHE 120 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2ki8 s LYS 121 N 1.36 2.11 0.27 -4.13 3.01 -1.26 -5.15 119.74 115.96 2ki8 s LYS 121 Ca 0.66 -0.78 0.01 0.00 -1.01 0.00 0.00 55.97 54.86 2ki8 s LYS 121 Cb 0.19 -1.85 -0.03 0.00 -1.01 0.00 0.00 37.83 35.13 2ki8 s LYS 121 CO -0.07 0.36 0.26 0.20 0.51 0.00 0.00 175.35 176.62 2ki8 s GLY 122 N -0.18 1.72 -0.25 -3.33 0.00 -1.26 -4.66 107.32 99.36 2ki8 s GLY 122 Ca -0.01 -1.76 -0.17 0.00 0.00 0.00 0.00 44.72 42.79 2ki8 s GLY 122 CO 0.02 -1.31 0.46 0.14 0.00 0.00 0.00 173.10 172.41 2ki8 s VAL 123 N -3.71 5.12 0.73 1.40 1.01 0.16 -4.79 120.40 120.33 2ki8 s VAL 123 Ca 0.37 0.77 -0.14 0.00 0.00 0.00 0.00 61.98 62.99 2ki8 s VAL 123 Cb 0.04 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2ki8 s VAL 123 CO 0.19 0.13 1.15 -0.54 0.00 0.00 0.00 175.10 176.04 2ki8 s LYS 124 N 2.07 2.24 0.00 2.72 1.02 -1.26 0.40 119.74 126.93 2ki8 s LYS 124 Ca 0.19 1.53 0.00 0.00 0.02 0.00 0.00 55.97 57.72 2ki8 s LYS 124 Cb -0.16 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2ki8 s LYS 124 CO 0.09 -1.71 0.00 0.41 -0.92 0.00 0.00 175.35 173.22 2ki8 n GLY 125 N -0.14 1.06 2.99 -3.33 0.00 0.17 -4.46 105.19 101.48 2ki8 n GLY 125 Ca 0.12 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 2ki8 n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ki8 s THR 126 N -1.15 0.08 0.04 2.61 -4.23 0.11 -0.27 115.64 112.84 2ki8 s THR 126 Ca 0.00 -0.67 0.07 0.00 -1.18 0.00 0.00 61.69 59.91 2ki8 s THR 126 Cb 0.00 -0.25 -0.02 0.00 1.34 0.00 0.00 72.50 73.57 2ki8 s THR 126 CO 0.00 -0.37 -0.20 0.54 -0.54 0.00 0.00 174.62 174.06 2ki8 s VAL 127 N -1.12 1.58 0.24 2.29 0.11 0.23 -0.78 120.40 122.94 2ki8 s VAL 127 Ca -0.12 -1.14 -0.15 0.00 -2.93 0.00 0.00 61.98 57.64 2ki8 s VAL 127 Cb -0.07 -1.37 0.01 0.00 -1.53 0.00 0.00 36.38 33.41 2ki8 s VAL 127 CO -0.00 0.20 0.52 -1.83 -3.33 0.00 0.00 175.10 170.66 2ki8 s GLU 128 N -1.11 1.55 -0.12 1.54 -1.05 -0.89 -1.60 118.70 117.02 2ki8 s GLU 128 Ca 0.07 -1.13 -0.08 0.00 -0.15 0.00 0.00 54.97 53.68 2ki8 s GLU 128 Cb -0.09 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.07 2ki8 s GLU 128 CO 0.01 -0.66 0.15 0.21 0.95 0.00 0.00 175.26 175.93 2ki8 s LYS 129 N -3.97 3.52 0.16 -4.83 2.20 -1.26 -0.12 119.74 115.44 2ki8 s LYS 129 Ca 0.18 -0.11 0.04 0.00 -0.36 0.00 0.00 55.97 55.71 2ki8 s LYS 129 Cb -0.02 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 33.05 2ki8 s LYS 129 CO 0.06 0.74 -0.08 -0.08 -0.36 0.00 0.00 175.35 175.63 2ki8 s THR 130 N -0.91 1.11 -2.08 3.43 -1.32 -0.85 -4.87 115.64 110.15 2ki8 s THR 130 Ca 0.15 -2.05 0.27 0.00 -1.21 0.00 0.00 61.69 58.85 2ki8 s THR 130 Cb -0.12 -1.95 0.39 0.00 -1.51 0.00 0.00 72.50 69.31 2ki8 s THR 130 CO 0.04 -0.66 1.64 0.47 -2.21 0.00 0.00 174.62 173.90 2ki8 n ASP 131 N -0.24 1.23 -4.76 8.08 8.00 -1.26 -4.57 116.55 123.03 2ki8 n ASP 131 Ca -0.09 -1.15 -0.34 0.00 0.71 0.00 0.00 54.79 53.92 2ki8 n ASP 131 Cb 0.61 0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.83 2ki8 n ASP 131 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2ki8 s GLU 132 N -2.29 2.88 0.42 -1.24 2.02 -1.26 -5.05 118.70 114.19 2ki8 s GLU 132 Ca 0.30 1.52 -0.08 0.00 0.02 0.00 0.00 54.97 56.73 2ki8 s GLU 132 Cb 0.20 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 32.43 2ki8 s GLU 132 CO 0.44 -1.21 0.75 -1.59 0.02 0.00 0.00 175.26 173.67 2ki8 s LYS 133 N -3.81 3.66 0.22 1.61 0.00 -1.26 -4.91 119.74 115.25 2ki8 s LYS 133 Ca 0.70 0.30 -0.32 0.00 0.00 0.00 0.00 55.97 56.65 2ki8 s LYS 133 Cb -0.23 -2.42 -0.12 0.00 0.00 0.00 0.00 37.83 35.06 2ki8 s LYS 133 CO 0.37 -0.07 1.70 0.08 0.00 0.00 0.00 175.35 177.44 2ki8 s VAL 134 N -2.48 2.03 -0.48 1.79 1.01 -1.26 -4.83 120.40 116.18 2ki8 s VAL 134 Ca 0.49 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 62.23 2ki8 s VAL 134 Cb -0.10 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 2ki8 s VAL 134 CO 0.36 0.00 2.30 -0.76 0.00 0.00 0.00 175.10 177.01 2ki8 s LEU 135 N 0.94 3.39 0.40 3.92 1.43 -0.94 -4.92 118.68 122.91 2ki8 s LEU 135 Ca 0.73 1.04 -0.25 0.00 -1.03 0.00 0.00 54.13 54.63 2ki8 s LEU 135 Cb -0.49 -2.61 -0.11 0.00 0.03 0.00 0.00 46.19 43.00 2ki8 s LEU 135 CO 0.34 -2.71 1.01 -1.20 0.23 0.00 0.00 176.35 174.02 2ki8 n SER 136 N 15.00 1.28 -0.21 2.29 7.64 -1.26 -4.55 113.62 133.81 2ki8 n SER 136 Ca 0.33 1.06 -0.03 0.00 1.01 0.00 0.00 58.87 61.24 2ki8 n SER 136 Cb 0.53 -1.35 0.03 0.00 -1.01 0.00 0.00 64.21 62.42 2ki8 n SER 136 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2ki8 h VAL 137 N 1.62 0.21 -0.24 0.44 2.07 -1.98 0.40 116.25 118.76 2ki8 h VAL 137 Ca -0.44 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.88 2ki8 h VAL 137 Cb 1.34 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2ki8 h VAL 137 CO 0.57 0.00 -0.63 0.50 0.02 0.00 0.00 177.57 178.03 2ki8 h LYS 138 N -0.11 0.86 -0.77 1.57 3.64 -2.00 -2.86 116.57 116.88 2ki8 h LYS 138 Ca 0.26 -0.60 0.10 0.00 -1.27 0.00 0.00 60.65 59.15 2ki8 h LYS 138 Cb 0.54 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 2ki8 h LYS 138 CO -0.69 1.22 0.51 1.49 -2.27 0.00 0.00 179.45 179.71 2ki8 h GLU 139 N 0.63 0.67 -0.82 1.90 4.81 -1.47 0.86 114.58 121.16 2ki8 h GLU 139 Ca -0.01 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2ki8 h GLU 139 Cb 1.25 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2ki8 h GLU 139 CO 0.14 0.44 0.44 1.25 -0.73 0.00 0.00 179.01 180.55 2ki8 h LEU 140 N 0.69 1.03 -0.52 1.64 6.46 -0.15 0.19 115.31 124.64 2ki8 h LEU 140 Ca 0.36 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 2ki8 h LEU 140 Cb 0.47 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2ki8 h LEU 140 CO -0.13 0.83 0.29 -0.07 -0.62 0.00 0.00 178.44 178.74 2ki8 h LEU 141 N 1.14 0.65 -1.38 2.25 3.38 -0.68 -1.94 115.31 118.73 2ki8 h LEU 141 Ca 0.29 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2ki8 h LEU 141 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2ki8 h LEU 141 CO -0.04 0.55 -0.18 -0.33 0.09 0.00 0.00 178.44 178.53 2ki8 h GLU 142 N 0.70 0.19 0.00 1.13 5.08 -0.62 0.21 114.58 121.27 2ki8 h GLU 142 Ca 0.18 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2ki8 h GLU 142 Cb 0.05 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2ki8 h GLU 142 CO -0.03 0.37 -0.00 0.00 -1.00 0.00 0.00 179.01 178.35 2ki8 h ALA 143 N 1.64 -0.00 0.00 3.43 0.00 -0.15 -3.12 119.26 121.06 2ki8 h ALA 143 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ki8 h ALA 143 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ki8 h ALA 143 CO 0.03 -0.34 0.00 -0.84 0.00 0.00 0.00 179.25 178.10 2ki8 h ILE 144 N -0.32 0.00 0.00 0.00 -0.00 -1.26 -3.49 117.51 112.44 2ki8 h ILE 144 Ca -0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 64.86 64.09 2ki8 h ILE 144 Cb 0.32 1.76 0.00 0.00 -0.00 0.00 0.00 36.82 38.90 2ki8 h ILE 144 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.76 2ki8 n GLY 145 N 0.75 2.22 3.99 0.16 0.00 0.05 -5.10 105.19 107.26 2ki8 n GLY 145 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2ki8 n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06