#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klj n GLY 2 N 0.00 -1.48 3.08 2.61 0.00 -1.26 -4.42 105.19 103.72 2klj n GLY 2 Ca 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.56 2klj n GLY 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2klj s LYS 3 N -3.90 0.08 0.30 1.61 2.20 -1.25 -4.55 119.74 114.23 2klj s LYS 3 Ca 0.00 0.06 0.11 0.00 -0.36 0.00 0.00 55.97 55.77 2klj s LYS 3 Cb 0.00 0.03 -0.06 0.00 -1.51 0.00 0.00 37.83 36.29 2klj s LYS 3 CO 0.00 -0.14 -0.15 0.96 -0.36 0.00 0.00 175.35 175.65 2klj s ILE 4 N 2.82 2.31 -0.20 5.43 -0.00 -1.04 -1.21 121.20 129.32 2klj s ILE 4 Ca 0.28 -2.31 0.01 0.00 -0.00 0.00 0.00 60.65 58.62 2klj s ILE 4 Cb 0.00 -2.41 0.03 0.00 -0.00 0.00 0.00 42.46 40.08 2klj s ILE 4 CO -0.21 -0.34 -0.16 -0.89 -0.00 0.00 0.00 174.94 173.34 2klj s THR 5 N -2.60 2.25 -0.18 8.37 2.01 0.23 -1.37 115.64 124.35 2klj s THR 5 Ca 0.30 -1.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 2klj s THR 5 Cb -0.02 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 2klj s THR 5 CO 0.15 0.39 0.14 -0.76 -0.69 0.00 0.00 174.62 173.85 2klj s LEU 6 N 1.27 4.25 -0.18 4.42 1.43 0.13 -0.45 118.68 129.55 2klj s LEU 6 Ca 0.02 0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 2klj s LEU 6 Cb -0.15 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 2klj s LEU 6 CO -0.10 0.22 -0.09 -0.31 0.23 0.00 0.00 176.35 176.30 2klj s TYR 7 N 0.10 2.89 0.24 0.29 1.51 0.15 0.12 117.35 122.66 2klj s TYR 7 Ca 0.10 -0.87 -0.07 0.00 -1.01 0.00 0.00 57.07 55.22 2klj s TYR 7 Cb -0.11 -1.99 0.43 0.00 -0.11 0.00 0.00 41.96 40.18 2klj s TYR 7 CO -0.01 -0.43 1.64 1.49 -1.11 0.00 0.00 175.55 177.14 2klj h GLU 8 N 7.53 0.12 -6.20 -0.62 4.22 0.29 0.65 114.58 120.57 2klj h GLU 8 Ca -0.36 -0.01 -0.53 0.00 0.08 0.00 0.00 59.36 58.55 2klj h GLU 8 Cb 1.18 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 2klj h GLU 8 CO 0.59 0.08 -0.56 0.34 -2.18 0.00 0.00 179.01 177.29 2klj s ASP 9 N -5.20 5.33 0.92 1.04 -1.08 -1.12 -1.35 116.67 115.21 2klj s ASP 9 Ca -0.13 -0.31 0.00 0.00 -0.52 0.00 0.00 52.55 51.59 2klj s ASP 9 Cb 0.22 -1.30 0.00 0.00 -1.46 0.00 0.00 42.92 40.38 2klj s ASP 9 CO 0.75 -0.01 0.00 -2.11 0.52 0.00 0.00 175.17 174.32 2klj n ARG 10 N -0.97 -1.55 -2.44 4.34 1.85 -1.26 -2.38 116.66 114.24 2klj n ARG 10 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.76 2klj n ARG 10 Cb 0.57 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.98 2klj n ARG 10 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2klj n GLY 11 N 0.56 -0.47 3.57 2.89 0.00 0.30 -0.11 105.19 111.92 2klj n GLY 11 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2klj n GLY 11 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2klj n PHE 12 N -2.40 -2.29 -4.05 1.61 3.72 -1.24 -4.99 117.46 107.82 2klj n PHE 12 Ca 0.00 0.85 -0.03 0.00 -0.05 0.00 0.00 57.45 58.22 2klj n PHE 12 Cb 0.47 -3.27 -0.01 0.00 -0.94 0.00 0.00 39.48 35.73 2klj n PHE 12 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2klj n GLN 13 N -2.68 0.90 0.00 -1.08 6.02 0.84 -5.03 117.38 116.35 2klj n GLN 13 Ca -0.18 -0.36 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 2klj n GLN 13 Cb 0.62 0.20 0.00 0.00 1.02 0.00 0.00 30.24 32.07 2klj n GLN 13 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2klj n GLY 14 N 2.01 0.96 3.80 1.08 0.00 -1.26 -2.79 105.19 108.98 2klj n GLY 14 Ca -0.01 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 2klj n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2klj s ARG 15 N 0.00 3.65 0.08 1.61 3.00 -1.26 -4.80 118.95 121.23 2klj s ARG 15 Ca 0.00 1.36 0.01 0.00 0.00 0.00 0.00 55.73 57.10 2klj s ARG 15 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 34.95 32.84 2klj s ARG 15 CO 0.00 -0.56 -0.06 -3.38 0.00 0.00 0.00 175.30 171.30 2klj s HIS 16 N -2.06 0.76 -0.10 -0.53 -3.43 -1.26 0.81 115.29 109.49 2klj s HIS 16 Ca 0.67 -0.90 -0.08 0.00 -0.80 0.00 0.00 55.06 53.95 2klj s HIS 16 Cb -0.17 -0.46 0.03 0.00 -1.43 0.00 0.00 32.58 30.54 2klj s HIS 16 CO 0.24 -0.20 0.26 -0.47 -2.00 0.00 0.00 174.74 172.57 2klj s TYR 17 N -3.39 -0.29 -0.21 0.38 5.04 0.12 -4.97 117.35 114.03 2klj s TYR 17 Ca 0.07 0.71 -0.07 0.00 -2.44 0.00 0.00 57.07 55.34 2klj s TYR 17 Cb 0.04 0.09 -0.04 0.00 0.35 0.00 0.00 41.96 42.40 2klj s TYR 17 CO -0.05 -0.15 0.06 -2.00 -1.34 0.00 0.00 175.55 172.07 2klj s GLU 18 N 0.29 3.85 -0.22 4.97 2.12 -1.26 0.23 118.70 128.67 2klj s GLU 18 Ca -0.01 -0.40 -0.04 0.00 0.36 0.00 0.00 54.97 54.88 2klj s GLU 18 Cb -0.03 -3.25 -0.00 0.00 0.26 0.00 0.00 34.13 31.11 2klj s GLU 18 CO -0.01 0.11 -0.05 0.00 -0.54 0.00 0.00 175.26 174.77 2klj n SER 20 N 4.78 1.98 -3.77 0.00 3.41 -1.26 -2.48 113.62 116.28 2klj n SER 20 Ca -0.18 -1.70 -0.09 0.00 -0.26 0.00 0.00 58.87 56.64 2klj n SER 20 Cb 0.50 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 2klj n SER 20 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2klj s SER 21 N -0.76 -0.09 0.36 4.04 0.15 -1.26 -4.67 113.70 111.47 2klj s SER 21 Ca 0.07 -0.86 -0.28 0.00 0.70 0.00 0.00 55.95 55.58 2klj s SER 21 Cb 0.04 0.68 -0.12 0.00 -1.71 0.00 0.00 66.02 64.92 2klj s SER 21 CO 0.05 -1.30 1.40 -0.90 1.20 0.00 0.00 173.24 173.69 2klj n ASP 22 N -0.60 3.30 -3.89 5.45 5.75 -1.26 -4.56 116.55 120.74 2klj n ASP 22 Ca -0.03 1.22 -0.11 0.00 -0.01 0.00 0.00 54.79 55.85 2klj n ASP 22 Cb 0.60 -1.55 -0.13 0.00 -1.03 0.00 0.00 41.12 39.01 2klj n ASP 22 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2klj s HIS 23 N -1.08 0.04 -0.14 2.11 2.46 0.16 -4.97 115.29 113.86 2klj s HIS 23 Ca 0.55 -0.07 0.07 0.00 0.47 0.00 0.00 55.06 56.07 2klj s HIS 23 Cb -0.52 -0.04 -0.09 0.00 -0.13 0.00 0.00 32.58 31.80 2klj s HIS 23 CO 0.63 -0.06 0.21 0.25 -2.47 0.00 0.00 174.74 173.29 2klj n THR 24 N 2.69 0.00 -3.66 0.89 -2.24 -1.26 -1.99 114.28 108.71 2klj n THR 24 Ca -0.15 -0.24 -0.28 0.00 -2.27 0.00 0.00 64.05 61.11 2klj n THR 24 Cb 0.59 0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 69.29 2klj n THR 24 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2klj s ASN 25 N -2.26 3.17 0.00 3.42 2.47 -1.21 -1.18 114.94 119.34 2klj s ASN 25 Ca -0.00 -1.05 0.19 0.00 0.42 0.00 0.00 52.86 52.42 2klj s ASN 25 Cb 0.05 -0.51 -0.16 0.00 -1.45 0.00 0.00 41.25 39.17 2klj s ASN 25 CO 0.28 -0.37 0.85 0.18 -3.72 0.00 0.00 177.10 174.32 2klj n LEU 26 N 5.11 1.13 0.06 3.21 4.32 0.27 -4.59 117.00 126.51 2klj n LEU 26 Ca -0.06 -0.56 -0.12 0.00 -0.02 0.00 0.00 56.01 55.24 2klj n LEU 26 Cb 0.45 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.20 2klj n LEU 26 CO 0.10 0.26 0.66 1.56 -1.22 0.00 0.00 177.39 178.74 2klj h GLN 27 N 0.52 -0.45 -0.60 3.23 4.20 -1.71 1.76 115.11 122.07 2klj h GLN 27 Ca 0.00 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.81 2klj h GLN 27 Cb 0.50 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 2klj h GLN 27 CO 0.00 -0.30 0.40 -1.00 -0.67 0.00 0.00 178.83 177.26 2klj h PRO 28 N -0.46 0.52 0.14 1.46 0.13 -1.96 -2.90 132.00 128.93 2klj h PRO 28 Ca 0.06 -0.03 -0.35 0.00 -0.87 0.00 0.00 66.00 64.80 2klj h PRO 28 Cb 0.55 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 2klj h PRO 28 CO -0.25 0.34 -1.87 1.88 -0.23 0.00 0.00 178.00 177.87 2klj h TYR 29 N 0.53 0.55 -3.32 1.56 0.05 -1.66 -3.46 116.97 111.23 2klj h TYR 29 Ca 0.26 -0.40 -0.52 0.00 0.05 0.00 0.00 58.73 58.11 2klj h TYR 29 Cb 0.34 -0.02 -0.35 0.00 1.01 0.00 0.00 36.73 37.72 2klj h TYR 29 CO -0.00 1.70 -0.81 -0.51 -1.05 0.00 0.00 178.16 177.48 2klj s LEU 30 N -7.10 1.49 0.16 3.88 1.43 0.59 -4.66 118.68 114.47 2klj s LEU 30 Ca -0.19 -0.31 -0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2klj s LEU 30 Cb 0.06 -0.85 -0.00 0.00 0.03 0.00 0.00 46.19 45.43 2klj s LEU 30 CO 0.81 -0.02 1.38 -1.28 0.23 0.00 0.00 176.35 177.46 2klj h SER 31 N 7.45 0.40 0.00 2.29 0.87 -1.79 -3.31 113.55 119.45 2klj h SER 31 Ca -0.31 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 59.95 2klj h SER 31 Cb 1.16 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2klj h SER 31 CO 0.45 1.07 -0.11 0.54 -0.53 0.00 0.00 176.83 178.26 2klj n ARG 32 N -3.74 0.00 -2.96 2.24 1.74 -1.26 -4.89 116.66 107.79 2klj n ARG 32 Ca -0.05 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.97 2klj n ARG 32 Cb 0.78 -0.54 0.01 0.00 -1.02 0.00 0.00 32.46 31.69 2klj n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2klj n ASN 34 N -0.89 2.79 -3.76 0.00 2.85 0.19 -4.47 115.26 111.97 2klj n ASN 34 Ca 0.06 -1.90 -0.13 0.00 -0.11 0.00 0.00 54.58 52.51 2klj n ASN 34 Cb 0.48 0.04 -0.08 0.00 1.24 0.00 0.00 39.78 41.46 2klj n ASN 34 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2klj s SER 35 N -1.90 -0.17 0.01 1.20 1.04 -1.00 0.12 113.70 113.00 2klj s SER 35 Ca 0.25 0.02 -0.17 0.00 0.48 0.00 0.00 55.95 56.53 2klj s SER 35 Cb 0.19 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.65 2klj s SER 35 CO 0.30 -0.48 0.38 0.00 0.98 0.00 0.00 173.24 174.42 2klj s ALA 36 N -1.57 -0.94 -0.05 5.32 0.00 0.31 0.33 121.76 125.17 2klj s ALA 36 Ca -0.12 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2klj s ALA 36 Cb -0.04 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.31 2klj s ALA 36 CO 0.03 -0.37 -0.03 1.03 0.00 0.00 0.00 175.76 176.42 2klj s ARG 37 N -1.95 0.73 -0.11 0.00 0.52 0.40 0.90 118.95 119.44 2klj s ARG 37 Ca -0.09 -0.04 -0.03 0.00 -0.52 0.00 0.00 55.73 55.05 2klj s ARG 37 Cb -0.02 -0.83 -0.03 0.00 0.52 0.00 0.00 34.95 34.59 2klj s ARG 37 CO 0.01 -0.13 -0.01 0.08 0.02 0.00 0.00 175.30 175.27 2klj s VAL 38 N 1.14 4.23 -0.20 3.52 1.01 -0.79 0.75 120.40 130.06 2klj s VAL 38 Ca -0.08 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 2klj s VAL 38 Cb -0.14 -2.80 -0.17 0.00 0.00 0.00 0.00 36.38 33.27 2klj s VAL 38 CO -0.01 0.57 0.17 -0.78 0.00 0.00 0.00 175.10 175.04 2klj h ASP 39 N 5.66 0.00 -0.33 3.32 1.82 -1.49 -3.28 116.42 122.12 2klj h ASP 39 Ca -0.45 -0.45 0.09 0.00 -0.39 0.00 0.00 57.03 55.83 2klj h ASP 39 Cb 1.19 0.00 -0.17 0.00 0.68 0.00 0.00 39.33 41.02 2klj h ASP 39 CO 0.58 1.40 -0.16 -0.44 -1.61 0.00 0.00 179.24 179.00 2klj s SER 40 N -6.71 -0.50 0.00 2.28 0.01 -1.26 -4.91 113.70 102.60 2klj s SER 40 Ca -0.27 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2klj s SER 40 Cb 0.05 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.93 2klj s SER 40 CO 0.54 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.75 2klj n GLY 41 N 3.67 -2.37 3.46 3.44 0.00 -1.26 -4.02 105.19 108.11 2klj n GLY 41 Ca 0.07 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 2klj n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klj s TRP 43 N -0.73 0.10 -0.05 0.00 0.52 0.62 -2.67 118.94 116.73 2klj s TRP 43 Ca 0.12 -0.20 0.04 0.00 0.02 0.00 0.00 56.10 56.08 2klj s TRP 43 Cb -0.11 -0.08 -0.00 0.00 -1.15 0.00 0.00 33.47 32.13 2klj s TRP 43 CO 0.01 -0.13 -0.17 1.41 0.02 0.00 0.00 176.95 178.09 2klj s MET 44 N -0.79 1.81 0.23 4.98 1.75 -1.07 0.73 119.30 126.94 2klj s MET 44 Ca -0.09 -0.61 0.11 0.00 -1.25 0.00 0.00 55.69 53.86 2klj s MET 44 Cb -0.05 -1.56 -0.05 0.00 2.84 0.00 0.00 34.83 36.01 2klj s MET 44 CO -0.00 0.24 -0.19 -0.51 -0.65 0.00 0.00 175.02 173.91 2klj s LEU 45 N 0.06 2.63 -0.02 4.11 1.43 -1.00 -0.72 118.68 125.18 2klj s LEU 45 Ca -0.04 -0.88 0.03 0.00 -1.03 0.00 0.00 54.13 52.21 2klj s LEU 45 Cb -0.12 -1.25 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 2klj s LEU 45 CO 0.02 0.08 -0.11 -0.31 0.23 0.00 0.00 176.35 176.26 2klj s TYR 46 N -2.07 1.08 0.52 0.29 1.51 0.19 -1.64 117.35 117.23 2klj s TYR 46 Ca 0.26 -0.24 0.24 0.00 -1.01 0.00 0.00 57.07 56.32 2klj s TYR 46 Cb -0.07 -0.72 1.35 0.00 -0.11 0.00 0.00 41.96 42.41 2klj s TYR 46 CO 0.13 -0.06 1.99 1.05 -1.11 0.00 0.00 175.55 177.55 2klj h GLU 47 N 6.07 0.05 -6.37 -0.62 4.11 -1.37 0.17 114.58 116.62 2klj h GLU 47 Ca -0.33 -0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.48 2klj h GLU 47 Cb 1.17 -0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.24 2klj h GLU 47 CO 0.49 0.04 -0.79 -0.65 0.07 0.00 0.00 179.01 178.16 2klj s GLN 48 N -5.07 1.58 0.96 1.06 -0.21 -1.21 -3.41 119.66 113.36 2klj s GLN 48 Ca -0.05 -1.64 -0.12 0.00 0.02 0.00 0.00 55.36 53.57 2klj s GLN 48 Cb 0.20 -1.77 0.16 0.00 1.00 0.00 0.00 33.01 32.61 2klj s GLN 48 CO 0.74 0.36 1.09 -1.25 -2.12 0.00 0.00 175.29 174.10 2klj s PRO 49 N -3.09 0.76 -1.50 2.91 0.04 -1.26 -3.67 135.00 129.18 2klj s PRO 49 Ca 0.25 0.79 -0.06 0.00 0.04 0.00 0.00 61.00 62.01 2klj s PRO 49 Cb -0.06 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.73 2klj s PRO 49 CO 0.12 -2.57 0.77 0.09 0.04 0.00 0.00 177.00 175.44 2klj n ASN 50 N -4.11 -6.11 -3.59 6.66 5.03 -0.32 -3.49 115.26 109.33 2klj n ASN 50 Ca 0.06 -0.37 -0.23 0.00 0.87 0.00 0.00 54.58 54.92 2klj n ASN 50 Cb 0.55 -4.90 0.01 0.00 -1.02 0.00 0.00 39.78 34.42 2klj n ASN 50 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2klj n TYR 51 N -4.64 -2.36 -3.52 3.10 4.01 -1.25 -4.99 117.16 107.50 2klj n TYR 51 Ca -0.08 0.96 -0.13 0.00 -0.16 0.00 0.00 57.90 58.49 2klj n TYR 51 Cb 0.60 -2.85 -0.11 0.00 -0.31 0.00 0.00 39.34 36.67 2klj n TYR 51 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2klj s SER 52 N -2.70 0.61 0.00 7.72 0.01 -1.23 -5.10 113.70 113.02 2klj s SER 52 Ca 0.08 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.59 2klj s SER 52 Cb -0.01 0.77 0.00 0.00 0.21 0.00 0.00 66.02 66.99 2klj s SER 52 CO 0.87 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.84 2klj n GLY 53 N 5.35 0.66 3.74 3.44 0.00 -1.26 -3.30 105.19 113.82 2klj n GLY 53 Ca -0.05 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 2klj n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2klj s LEU 54 N 0.00 4.41 0.28 0.99 2.96 -1.26 -4.79 118.68 121.26 2klj s LEU 54 Ca 0.00 2.49 0.10 0.00 -0.22 0.00 0.00 54.13 56.50 2klj s LEU 54 Cb 0.00 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 2klj s LEU 54 CO 0.00 -0.59 -0.15 0.00 -1.32 0.00 0.00 176.35 174.29 2klj s GLN 55 N -0.17 1.63 -0.05 1.98 0.00 -1.26 -1.32 119.66 120.48 2klj s GLN 55 Ca 0.58 -1.78 0.00 0.00 -0.00 0.00 0.00 55.36 54.16 2klj s GLN 55 Cb -0.38 -1.55 0.02 0.00 0.00 0.00 0.00 33.01 31.10 2klj s GLN 55 CO 0.40 0.22 -0.02 0.71 0.00 0.00 0.00 175.29 176.60 2klj s TYR 56 N -2.68 0.61 -0.05 9.60 1.51 -0.65 -4.95 117.35 120.73 2klj s TYR 56 Ca 0.29 -0.14 -0.28 0.00 -1.01 0.00 0.00 57.07 55.93 2klj s TYR 56 Cb -0.01 -0.64 -0.03 0.00 -0.11 0.00 0.00 41.96 41.17 2klj s TYR 56 CO 0.13 -0.21 0.89 0.12 -1.11 0.00 0.00 175.55 175.38 2klj s PHE 57 N 1.24 3.59 -0.01 2.71 5.36 -1.26 -2.37 117.98 127.24 2klj s PHE 57 Ca -0.06 1.52 0.07 0.00 -0.96 0.00 0.00 56.93 57.50 2klj s PHE 57 Cb -0.14 -3.04 -0.02 0.00 -0.34 0.00 0.00 43.02 39.49 2klj s PHE 57 CO -0.02 -0.04 -0.22 -0.51 -1.46 0.00 0.00 175.22 172.97 2klj s LEU 58 N 1.21 2.06 0.12 6.12 1.02 0.22 -4.86 118.68 124.58 2klj s LEU 58 Ca 0.46 -0.41 -0.01 0.00 0.02 0.00 0.00 54.13 54.19 2klj s LEU 58 Cb -0.19 -1.12 -0.04 0.00 0.02 0.00 0.00 46.19 44.86 2klj s LEU 58 CO 0.22 0.26 0.05 -0.13 0.02 0.00 0.00 176.35 176.78 2klj s ARG 59 N -0.59 0.91 -0.32 1.70 0.52 -1.26 -0.27 118.95 119.62 2klj s ARG 59 Ca 0.08 -1.42 -0.27 0.00 -0.52 0.00 0.00 55.73 53.60 2klj s ARG 59 Cb -0.08 0.24 -0.12 0.00 0.52 0.00 0.00 34.95 35.51 2klj s ARG 59 CO -0.01 -0.25 1.35 -2.13 0.02 0.00 0.00 175.30 174.28 2klj n ARG 60 N -0.08 0.00 0.00 3.54 0.63 -1.18 -4.73 116.66 114.84 2klj n ARG 60 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 2klj n ARG 60 Cb 0.63 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 32.61 2klj n ARG 60 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2klj n GLY 61 N 4.68 1.25 3.52 5.14 0.00 -1.24 -4.99 105.19 113.55 2klj n GLY 61 Ca 0.35 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 2klj n GLY 61 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2klj s ASP 62 N 0.00 5.27 -0.37 1.61 -4.77 -1.26 -1.88 116.67 115.28 2klj s ASP 62 Ca 0.00 -0.09 0.01 0.00 -3.30 0.00 0.00 52.55 49.17 2klj s ASP 62 Cb 0.00 -1.92 0.10 0.00 -1.09 0.00 0.00 42.92 40.01 2klj s ASP 62 CO 0.00 0.07 0.11 -0.31 0.70 0.00 0.00 175.17 175.74 2klj s TYR 63 N 0.97 3.67 -1.23 2.11 2.02 0.26 -4.94 117.35 120.20 2klj s TYR 63 Ca 0.03 -2.72 0.27 0.00 -0.37 0.00 0.00 57.07 54.28 2klj s TYR 63 Cb -0.14 -3.01 0.81 0.00 -0.40 0.00 0.00 41.96 39.22 2klj s TYR 63 CO 0.03 -0.95 1.61 0.00 -1.57 0.00 0.00 175.55 174.66 2klj n ALA 64 N 4.41 3.11 -3.05 3.71 0.00 -1.26 0.12 120.51 127.54 2klj n ALA 64 Ca 0.01 -0.30 -0.12 0.00 0.00 0.00 0.00 53.44 53.03 2klj n ALA 64 Cb 0.42 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 2klj n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2klj s ASP 65 N -2.83 -0.09 0.48 0.00 1.11 -1.17 0.11 116.67 114.28 2klj s ASP 65 Ca 0.17 -0.15 0.14 0.00 0.18 0.00 0.00 52.55 52.88 2klj s ASP 65 Cb 0.18 0.31 1.13 0.00 1.07 0.00 0.00 42.92 45.61 2klj s ASP 65 CO 0.60 -0.52 2.09 1.12 1.18 0.00 0.00 175.17 179.64 2klj h HIS 66 N 3.61 0.09 0.00 4.23 2.07 0.59 -0.69 115.15 125.05 2klj h HIS 66 Ca -0.31 -0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.20 2klj h HIS 66 Cb 1.19 -0.03 -0.00 0.00 2.57 0.00 0.00 27.41 31.14 2klj h HIS 66 CO 0.51 0.11 -0.03 -0.56 -3.07 0.00 0.00 177.93 174.88 2klj h GLN 67 N 0.10 0.00 -0.73 5.12 3.07 -1.84 1.20 115.11 122.03 2klj h GLN 67 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.74 2klj h GLN 67 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.60 2klj h GLN 67 CO 0.00 0.03 0.36 1.96 0.09 0.00 0.00 178.83 181.27 2klj h GLN 68 N 0.00 1.04 -0.71 0.06 1.08 -1.43 -2.20 115.11 112.96 2klj h GLN 68 Ca -0.00 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 2klj h GLN 68 Cb 0.06 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 2klj h GLN 68 CO 0.00 0.81 0.00 -2.67 -0.95 0.00 0.00 178.83 176.02 2klj n TRP 69 N -4.43 1.17 -1.02 2.96 2.14 -0.90 -4.82 117.44 112.54 2klj n TRP 69 Ca 0.06 -0.42 -0.01 0.00 2.07 0.00 0.00 57.50 59.21 2klj n TRP 69 Cb 0.12 -0.30 -0.00 0.00 -0.81 0.00 0.00 31.31 30.32 2klj n TRP 69 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 2klj n MET 70 N 0.44 -0.10 -1.86 -2.67 2.81 -0.82 -4.37 117.12 110.54 2klj n MET 70 Ca 0.17 0.31 -0.43 0.00 -1.81 0.00 0.00 57.70 55.93 2klj n MET 70 Cb 0.76 -3.65 -0.03 0.00 -0.71 0.00 0.00 33.22 29.60 2klj n MET 70 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2klj s GLY 71 N -2.53 0.80 0.42 3.03 0.00 0.41 -4.78 107.32 104.67 2klj s GLY 71 Ca 0.00 0.54 0.23 0.00 0.00 0.00 0.00 44.72 45.48 2klj s GLY 71 CO 0.00 3.42 1.78 1.41 0.00 0.00 0.00 173.10 179.71 2klj h LEU 72 N 13.66 0.00 -7.61 0.66 3.38 -1.93 -3.21 115.31 120.26 2klj h LEU 72 Ca -0.37 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.40 2klj h LEU 72 Cb 1.19 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.68 2klj h LEU 72 CO 1.00 0.26 -0.57 -0.55 0.09 0.00 0.00 178.44 178.66 2klj s SER 73 N -6.24 -0.13 0.00 -0.43 0.15 -1.26 -5.03 113.70 100.77 2klj s SER 73 Ca 0.01 0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.89 2klj s SER 73 Cb 0.10 0.25 -0.06 0.00 -1.71 0.00 0.00 66.02 64.61 2klj s SER 73 CO 0.65 -0.05 1.84 -0.90 1.20 0.00 0.00 173.24 175.99 2klj n ASP 74 N 2.99 3.92 -4.10 5.45 5.75 -1.26 -4.74 116.55 124.56 2klj n ASP 74 Ca -0.12 -2.09 -0.24 0.00 -0.01 0.00 0.00 54.79 52.33 2klj n ASP 74 Cb 0.59 -0.89 -0.16 0.00 -1.03 0.00 0.00 41.12 39.63 2klj n ASP 74 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2klj s SER 75 N 2.07 1.84 -0.30 -1.12 1.04 -1.22 -4.20 113.70 111.82 2klj s SER 75 Ca 0.14 -0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.14 2klj s SER 75 Cb 0.07 -0.44 0.16 0.00 0.10 0.00 0.00 66.02 65.91 2klj s SER 75 CO 0.00 0.14 0.92 0.54 0.98 0.00 0.00 173.24 175.82 2klj s VAL 76 N -0.02 -0.59 -0.82 5.02 0.11 -1.22 -4.21 120.40 118.67 2klj s VAL 76 Ca -0.01 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.11 2klj s VAL 76 Cb -0.09 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.88 2klj s VAL 76 CO 0.01 0.00 0.92 0.54 -3.33 0.00 0.00 175.10 173.24 2klj n ARG 77 N 5.10 1.25 -3.75 1.54 1.74 0.56 -4.57 116.66 118.54 2klj n ARG 77 Ca -0.09 -1.34 -0.13 0.00 -0.77 0.00 0.00 57.85 55.52 2klj n ARG 77 Cb 0.52 -1.16 -0.10 0.00 -1.02 0.00 0.00 32.46 30.70 2klj n ARG 77 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2klj s SER 78 N -0.79 -0.31 -0.14 0.55 0.01 -1.04 0.95 113.70 112.93 2klj s SER 78 Ca 0.12 0.48 -0.13 0.00 1.31 0.00 0.00 55.95 57.74 2klj s SER 78 Cb 0.07 0.57 0.04 0.00 0.21 0.00 0.00 66.02 66.91 2klj s SER 78 CO 0.10 -0.25 0.37 0.00 0.41 0.00 0.00 173.24 173.87 2klj s ARG 80 N 0.21 1.70 -0.15 0.00 1.70 0.10 0.35 118.95 122.86 2klj s ARG 80 Ca -0.00 -1.97 0.02 0.00 -0.47 0.00 0.00 55.73 53.30 2klj s ARG 80 Cb -0.03 -0.66 0.01 0.00 -0.57 0.00 0.00 34.95 33.70 2klj s ARG 80 CO 0.00 -0.31 -0.20 -1.17 -1.08 0.00 0.00 175.30 172.55 2klj s LEU 81 N -3.49 2.20 -0.19 -1.89 2.96 -1.26 -2.60 118.68 114.41 2klj s LEU 81 Ca 0.33 -0.58 -0.28 0.00 -0.22 0.00 0.00 54.13 53.37 2klj s LEU 81 Cb 0.07 -1.48 -0.00 0.00 0.50 0.00 0.00 46.19 45.27 2klj s LEU 81 CO 0.15 0.06 0.98 -0.63 -1.32 0.00 0.00 176.35 175.59 2klj s ILE 82 N 0.92 4.75 0.43 6.68 1.01 -1.09 -4.85 121.20 129.06 2klj s ILE 82 Ca -0.04 1.94 -0.25 0.00 0.00 0.00 0.00 60.65 62.30 2klj s ILE 82 Cb -0.15 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 37.97 2klj s ILE 82 CO -0.04 -0.09 1.32 -2.16 0.00 0.00 0.00 174.94 173.97 2klj s PRO 83 N 2.67 3.81 0.63 2.79 0.04 -1.26 -4.60 135.00 139.07 2klj s PRO 83 Ca 0.44 2.17 -0.11 0.00 0.04 0.00 0.00 61.00 63.54 2klj s PRO 83 Cb -0.16 -2.65 0.15 0.00 0.04 0.00 0.00 34.50 31.88 2klj s PRO 83 CO 0.11 -0.63 0.69 1.58 0.04 0.00 0.00 177.00 178.78 2klj n HIS 84 N -0.11 -3.75 -3.65 0.56 -0.00 -1.26 -4.36 115.22 102.65 2klj n HIS 84 Ca 0.05 -0.61 -0.01 0.00 0.46 0.00 0.00 57.72 57.61 2klj n HIS 84 Cb 0.44 -0.62 -0.07 0.00 -0.12 0.00 0.00 29.99 29.63 2klj n HIS 84 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2klj s SER 85 N -3.47 -0.14 0.00 0.26 0.01 -1.26 -4.50 113.70 104.60 2klj s SER 85 Ca 0.42 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2klj s SER 85 Cb -0.03 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.92 2klj s SER 85 CO 0.30 -0.04 0.90 0.61 0.41 0.00 0.00 173.24 175.42 2klj n GLY 86 N 2.57 -2.80 4.01 3.44 0.00 -1.26 -4.75 105.19 106.39 2klj n GLY 86 Ca -0.15 0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 2klj n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2klj s SER 87 N -2.36 5.07 -0.17 1.61 0.15 -1.26 -5.08 113.70 111.66 2klj s SER 87 Ca 0.00 -0.49 -0.05 0.00 0.70 0.00 0.00 55.95 56.11 2klj s SER 87 Cb 0.00 -0.20 0.06 0.00 -1.71 0.00 0.00 66.02 64.18 2klj s SER 87 CO 0.00 -1.31 0.10 -1.00 1.20 0.00 0.00 173.24 172.23 2klj s HIS 88 N -2.73 0.17 -0.03 3.44 0.09 -1.26 -4.12 115.29 110.84 2klj s HIS 88 Ca 0.61 -0.29 0.01 0.00 -0.00 0.00 0.00 55.06 55.38 2klj s HIS 88 Cb -0.07 -0.68 0.01 0.00 -0.00 0.00 0.00 32.58 31.84 2klj s HIS 88 CO 0.39 -0.52 -0.05 -0.98 -0.00 0.00 0.00 174.74 173.58 2klj s ARG 89 N 2.15 0.68 -0.01 1.40 1.70 -1.26 -4.29 118.95 119.31 2klj s ARG 89 Ca 0.02 -0.13 -0.02 0.00 -0.47 0.00 0.00 55.73 55.14 2klj s ARG 89 Cb -0.16 -0.69 -0.00 0.00 -0.57 0.00 0.00 34.95 33.53 2klj s ARG 89 CO -0.10 -0.02 0.05 -1.50 -1.08 0.00 0.00 175.30 172.65 2klj s ILE 90 N 0.58 0.03 -0.27 4.99 2.07 -0.71 -2.31 121.20 125.59 2klj s ILE 90 Ca -0.07 -0.26 0.01 0.00 -1.41 0.00 0.00 60.65 58.91 2klj s ILE 90 Cb -0.11 -0.16 0.07 0.00 0.13 0.00 0.00 42.46 42.40 2klj s ILE 90 CO -0.00 -0.15 -0.00 0.00 -1.91 0.00 0.00 174.94 172.88 2klj s ARG 91 N -0.43 1.41 0.26 3.50 1.70 -0.86 -0.96 118.95 123.57 2klj s ARG 91 Ca -0.05 -1.17 -0.07 0.00 -0.47 0.00 0.00 55.73 53.97 2klj s ARG 91 Cb -0.03 -2.59 -0.06 0.00 -0.57 0.00 0.00 34.95 31.70 2klj s ARG 91 CO 0.00 -0.74 0.55 -0.51 -1.08 0.00 0.00 175.30 173.52 2klj s LEU 92 N 1.35 4.11 -0.01 -1.89 1.02 -0.95 -0.50 118.68 121.81 2klj s LEU 92 Ca 0.00 0.82 0.04 0.00 0.02 0.00 0.00 54.13 55.01 2klj s LEU 92 Cb -0.19 -3.61 -0.01 0.00 0.02 0.00 0.00 46.19 42.41 2klj s LEU 92 CO -0.10 -0.13 -0.13 -0.31 0.02 0.00 0.00 176.35 175.71 2klj s TYR 93 N -1.94 1.12 0.00 0.29 1.51 0.25 -2.46 117.35 116.12 2klj s TYR 93 Ca 0.46 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 56.30 2klj s TYR 93 Cb -0.11 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 41.02 2klj s TYR 93 CO 0.25 -0.02 0.85 -1.91 -1.11 0.00 0.00 175.55 173.62 2klj n GLU 94 N 2.77 0.00 -2.23 -0.62 0.00 -0.34 -1.77 120.64 118.45 2klj n GLU 94 Ca -0.14 0.37 -0.29 0.00 0.00 0.00 0.00 57.16 57.11 2klj n GLU 94 Cb 0.56 -1.36 0.02 0.00 0.00 0.00 0.00 31.44 30.65 2klj n GLU 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2klj s ARG 95 N -2.45 3.32 0.84 5.31 0.52 -1.26 0.17 118.95 125.40 2klj s ARG 95 Ca 0.00 0.37 -0.14 0.00 -0.52 0.00 0.00 55.73 55.43 2klj s ARG 95 Cb 0.00 -2.21 -0.00 0.00 0.52 0.00 0.00 34.95 33.26 2klj s ARG 95 CO 0.00 -0.55 0.44 0.39 0.02 0.00 0.00 175.30 175.60 2klj n GLU 96 N -2.60 0.00 0.00 3.54 1.02 -1.20 -4.26 120.64 117.15 2klj n GLU 96 Ca 0.04 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2klj n GLU 96 Cb 0.56 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 2klj n GLU 96 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2klj n ASP 97 N -0.73 0.00 -2.69 1.62 9.92 -0.49 -3.58 116.55 120.61 2klj n ASP 97 Ca 0.08 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.30 2klj n ASP 97 Cb 0.52 0.00 0.12 0.00 -0.64 0.00 0.00 41.12 41.12 2klj n ASP 97 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2klj n TYR 98 N 6.11 -1.94 -0.03 1.24 4.01 -1.26 -4.76 117.16 120.53 2klj n TYR 98 Ca 0.00 -1.88 0.02 0.00 -0.16 0.00 0.00 57.90 55.89 2klj n TYR 98 Cb 0.00 1.41 -0.12 0.00 -0.31 0.00 0.00 39.34 40.32 2klj n TYR 98 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2klj n ARG 99 N -1.03 0.89 -1.42 -0.72 1.74 -1.23 -5.01 116.66 109.89 2klj n ARG 99 Ca -0.09 -0.09 -0.19 0.00 -0.77 0.00 0.00 57.85 56.70 2klj n ARG 99 Cb 0.86 -1.38 0.13 0.00 -1.02 0.00 0.00 32.46 31.05 2klj n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2klj n GLY 100 N 1.78 -1.00 3.68 -0.13 0.00 -1.26 -4.94 105.19 103.32 2klj n GLY 100 Ca -0.11 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 2klj n GLY 100 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2klj n GLN 101 N -2.79 0.36 -4.39 1.61 -0.06 -1.26 -4.57 117.38 106.26 2klj n GLN 101 Ca 0.11 0.19 -0.20 0.00 -2.00 0.00 0.00 57.00 55.11 2klj n GLN 101 Cb 0.40 -2.41 -0.15 0.00 -4.06 0.00 0.00 30.24 24.01 2klj n GLN 101 CO 0.00 0.00 0.00 1.41 -0.20 0.00 0.00 177.06 178.27 2klj s MET 102 N -3.89 0.87 -0.08 3.69 -2.45 -1.26 -1.20 119.30 114.98 2klj s MET 102 Ca 0.75 -0.32 -0.06 0.00 -1.25 0.00 0.00 55.69 54.80 2klj s MET 102 Cb -0.31 -0.83 0.03 0.00 1.25 0.00 0.00 34.83 34.97 2klj s MET 102 CO 0.49 0.16 0.21 -1.50 1.05 0.00 0.00 175.02 175.43 2klj s ILE 103 N -0.01 -0.02 0.11 10.11 2.07 -1.03 -5.04 121.20 127.41 2klj s ILE 103 Ca 0.00 0.06 0.04 0.00 -1.41 0.00 0.00 60.65 59.34 2klj s ILE 103 Cb -0.06 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.18 2klj s ILE 103 CO 0.00 0.02 0.10 -0.70 -1.91 0.00 0.00 174.94 172.45 2klj s GLU 104 N 0.52 2.87 -0.01 3.50 2.12 -1.26 -2.24 118.70 124.19 2klj s GLU 104 Ca -0.03 -0.77 0.02 0.00 0.36 0.00 0.00 54.97 54.54 2klj s GLU 104 Cb -0.05 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.66 2klj s GLU 104 CO -0.03 0.53 -0.06 -0.06 -0.54 0.00 0.00 175.26 175.10 2klj s PHE 105 N -1.53 0.61 -0.02 5.30 0.08 -0.13 -5.00 117.98 117.29 2klj s PHE 105 Ca 0.30 -0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.25 2klj s PHE 105 Cb -0.11 -0.43 0.04 0.00 -0.57 0.00 0.00 43.02 41.95 2klj s PHE 105 CO 0.22 -0.04 0.86 0.25 -0.10 0.00 0.00 175.22 176.41 2klj n THR 106 N 3.13 0.67 -3.65 0.64 -2.24 -1.26 -1.73 114.28 109.84 2klj n THR 106 Ca -0.15 -0.73 -0.06 0.00 -2.27 0.00 0.00 64.05 60.84 2klj n THR 106 Cb 0.56 0.55 -0.00 0.00 -2.10 0.00 0.00 70.33 69.34 2klj n THR 106 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2klj n GLU 107 N -0.41 0.40 -2.41 -0.78 0.28 -1.26 -4.81 120.64 111.65 2klj n GLU 107 Ca 0.02 -1.22 -0.40 0.00 -0.16 0.00 0.00 57.16 55.40 2klj n GLU 107 Cb 0.45 1.28 -0.04 0.00 1.43 0.00 0.00 31.44 34.56 2klj n GLU 107 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2klj s ASP 108 N -2.00 7.15 -0.42 -1.84 -4.77 -1.26 -4.58 116.67 108.94 2klj s ASP 108 Ca 0.11 2.33 0.02 0.00 -3.30 0.00 0.00 52.55 51.72 2klj s ASP 108 Cb -0.01 -2.63 0.15 0.00 -1.09 0.00 0.00 42.92 39.34 2klj s ASP 108 CO 0.08 -0.23 0.27 0.00 0.70 0.00 0.00 175.17 175.99 2klj h SER 110 N 6.50 0.02 -2.50 0.00 4.64 -1.95 0.16 113.55 120.43 2klj h SER 110 Ca 0.09 -0.01 -0.59 0.00 -0.47 0.00 0.00 61.79 60.81 2klj h SER 110 Cb 0.93 -0.01 -0.40 0.00 -0.31 0.00 0.00 62.40 62.62 2klj h SER 110 CO 0.39 0.32 -0.86 0.00 -0.87 0.00 0.00 176.83 175.82 2klj h LEU 112 N 5.22 0.50 -0.35 0.00 6.46 -1.40 0.68 115.31 126.42 2klj h LEU 112 Ca 0.20 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 58.11 2klj h LEU 112 Cb 0.84 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 2klj h LEU 112 CO 0.51 -0.04 0.44 0.00 -0.62 0.00 0.00 178.44 178.73 2klj n GLN 113 N -4.88 0.04 0.04 1.25 3.00 -1.24 0.28 117.38 115.88 2klj n GLN 113 Ca 0.30 0.42 0.05 0.00 -0.01 0.00 0.00 57.00 57.75 2klj n GLN 113 Cb 0.97 -2.07 -0.07 0.00 0.00 0.00 0.00 30.24 29.07 2klj n GLN 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2klj n ASP 114 N -1.69 0.72 -0.10 1.08 8.00 0.23 -4.49 116.55 120.30 2klj n ASP 114 Ca -0.00 0.30 -0.15 0.00 0.71 0.00 0.00 54.79 55.65 2klj n ASP 114 Cb 0.44 0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 41.96 2klj n ASP 114 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2klj n ARG 115 N -2.74 0.48 -4.44 -1.24 5.12 0.80 -5.03 116.66 109.61 2klj n ARG 115 Ca -0.07 0.12 -0.20 0.00 -1.93 0.00 0.00 57.85 55.77 2klj n ARG 115 Cb 0.73 -1.37 -0.14 0.00 -1.16 0.00 0.00 32.46 30.52 2klj n ARG 115 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2klj s PHE 116 N -2.39 1.17 0.00 -1.55 -0.71 0.88 -5.10 117.98 110.28 2klj s PHE 116 Ca -0.27 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 55.33 2klj s PHE 116 Cb 0.07 -0.72 0.00 0.00 -1.21 0.00 0.00 43.02 41.16 2klj s PHE 116 CO 0.44 0.01 0.02 0.54 -1.34 0.00 0.00 175.22 174.89 2klj n ARG 117 N 2.26 0.00 -0.94 1.99 1.74 -1.26 -4.01 116.66 116.44 2klj n ARG 117 Ca -0.16 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.49 2klj n ARG 117 Cb 0.55 -0.31 -0.08 0.00 -1.02 0.00 0.00 32.46 31.60 2klj n ARG 117 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2klj n PHE 118 N -0.27 0.90 1.38 -1.55 -1.74 -1.26 -4.72 117.46 110.20 2klj n PHE 118 Ca 0.00 0.59 0.00 0.00 -0.56 0.00 0.00 57.45 57.48 2klj n PHE 118 Cb 0.00 -1.57 0.00 0.00 1.52 0.00 0.00 39.48 39.43 2klj n PHE 118 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 2klj n ASN 119 N 4.60 0.11 -4.07 5.98 2.85 -1.26 -4.64 115.26 118.84 2klj n ASN 119 Ca 0.34 -1.50 -0.32 0.00 -0.11 0.00 0.00 54.58 52.99 2klj n ASN 119 Cb -0.03 -0.06 -0.16 0.00 1.24 0.00 0.00 39.78 40.77 2klj n ASN 119 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2klj s GLU 120 N -1.85 2.54 -0.21 1.20 2.02 -1.26 -0.42 118.70 120.72 2klj s GLU 120 Ca 0.00 -0.85 -0.05 0.00 0.02 0.00 0.00 54.97 54.09 2klj s GLU 120 Cb 0.00 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.72 2klj s GLU 120 CO 0.00 -0.31 -0.02 0.42 0.02 0.00 0.00 175.26 175.37 2klj s ILE 121 N 1.32 3.70 -0.31 -1.63 -1.09 -1.06 -4.50 121.20 117.64 2klj s ILE 121 Ca 0.02 -0.39 0.07 0.00 -2.23 0.00 0.00 60.65 58.12 2klj s ILE 121 Cb -0.15 -2.68 0.46 0.00 -1.58 0.00 0.00 42.46 38.51 2klj s ILE 121 CO -0.10 0.42 1.17 1.41 -1.23 0.00 0.00 174.94 176.61 2klj n HIS 122 N 4.53 2.79 0.00 3.97 8.25 0.13 -4.42 115.22 130.46 2klj n HIS 122 Ca -0.17 -2.35 0.00 0.00 -0.26 0.00 0.00 57.72 54.94 2klj n HIS 122 Cb 0.51 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.32 2klj n HIS 122 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2klj n SER 123 N -0.67 0.00 -3.45 0.41 7.64 -1.17 -3.17 113.62 113.22 2klj n SER 123 Ca 0.42 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.17 2klj n SER 123 Cb 0.92 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.09 2klj n SER 123 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2klj s LEU 124 N 0.00 -0.56 -0.28 -3.43 0.05 -1.00 0.87 118.68 114.32 2klj s LEU 124 Ca 0.00 0.13 0.00 0.00 0.05 0.00 0.00 54.13 54.32 2klj s LEU 124 Cb 0.00 2.52 0.08 0.00 -2.05 0.00 0.00 46.19 46.75 2klj s LEU 124 CO 0.00 -0.86 0.04 0.21 -0.55 0.00 0.00 176.35 175.19 2klj s ASN 125 N -2.42 3.95 -0.44 1.48 2.47 0.35 -0.67 114.94 119.65 2klj s ASN 125 Ca -0.01 -1.48 -0.24 0.00 0.42 0.00 0.00 52.86 51.55 2klj s ASN 125 Cb -0.01 -1.04 0.02 0.00 -1.45 0.00 0.00 41.25 38.77 2klj s ASN 125 CO -0.08 -0.34 0.83 -0.69 -3.72 0.00 0.00 177.10 173.09 2klj s VAL 126 N 1.47 4.61 -0.15 -5.21 1.01 -0.67 -2.02 120.40 119.44 2klj s VAL 126 Ca 0.04 0.59 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 2klj s VAL 126 Cb -0.18 -4.34 -0.17 0.00 0.00 0.00 0.00 36.38 31.69 2klj s VAL 126 CO -0.15 -0.71 0.40 -0.07 0.00 0.00 0.00 175.10 174.57 2klj h LEU 127 N 10.21 0.00 -9.18 3.92 -0.00 -1.72 -1.81 115.31 116.72 2klj h LEU 127 Ca -0.24 -0.60 -0.63 0.00 -0.00 0.00 0.00 57.88 56.41 2klj h LEU 127 Cb 1.08 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.59 2klj h LEU 127 CO 0.97 0.98 -0.77 -1.61 -0.00 0.00 0.00 178.44 178.02 2klj s GLU 128 N -2.11 1.75 0.04 1.13 8.01 -1.12 -4.85 118.70 121.54 2klj s GLU 128 Ca -0.17 -1.51 0.00 0.00 0.01 0.00 0.00 54.97 53.30 2klj s GLU 128 Cb 0.00 -1.93 0.00 0.00 -4.31 0.00 0.00 34.13 27.89 2klj s GLU 128 CO 0.48 0.39 0.00 0.41 0.01 0.00 0.00 175.26 176.55 2klj n GLY 129 N -0.09 0.18 3.45 -1.39 0.00 -1.26 -4.19 105.19 101.89 2klj n GLY 129 Ca -0.10 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 2klj n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2klj s SER 130 N -4.00 3.27 0.29 1.61 0.01 -1.26 -3.85 113.70 109.78 2klj s SER 130 Ca 0.00 -1.09 0.02 0.00 1.31 0.00 0.00 55.95 56.19 2klj s SER 130 Cb 0.00 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.92 2klj s SER 130 CO 0.00 -0.12 0.09 0.26 0.41 0.00 0.00 173.24 173.87 2klj s TRP 131 N -2.71 1.71 -0.07 2.43 0.52 -1.01 -1.33 118.94 118.49 2klj s TRP 131 Ca 0.29 -1.11 0.02 0.00 0.02 0.00 0.00 56.10 55.32 2klj s TRP 131 Cb -0.01 -1.05 0.02 0.00 -1.15 0.00 0.00 33.47 31.27 2klj s TRP 131 CO 0.13 -0.21 -0.11 0.08 0.02 0.00 0.00 176.95 176.86 2klj s VAL 132 N -3.56 1.07 -0.06 4.03 1.01 -0.31 -2.07 120.40 120.52 2klj s VAL 132 Ca 0.37 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 2klj s VAL 132 Cb 0.08 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2klj s VAL 132 CO 0.15 0.34 0.08 -0.76 0.00 0.00 0.00 175.10 174.91 2klj s LEU 133 N 0.81 3.96 0.03 3.92 1.43 -0.82 -1.84 118.68 126.17 2klj s LEU 133 Ca -0.12 0.24 0.09 0.00 -1.03 0.00 0.00 54.13 53.30 2klj s LEU 133 Cb -0.15 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 2klj s LEU 133 CO 0.02 0.33 -0.25 -0.31 0.23 0.00 0.00 176.35 176.38 2klj s TYR 134 N -1.08 2.37 0.45 0.29 1.51 0.96 -0.86 117.35 120.99 2klj s TYR 134 Ca 0.19 -0.38 0.11 0.00 -1.01 0.00 0.00 57.07 55.97 2klj s TYR 134 Cb -0.12 -1.42 1.01 0.00 -0.11 0.00 0.00 41.96 41.32 2klj s TYR 134 CO 0.09 0.13 2.08 1.49 -1.11 0.00 0.00 175.55 178.22 2klj h GLU 135 N 4.85 0.29 0.00 -0.62 4.81 -1.69 0.46 114.58 122.68 2klj h GLU 135 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2klj h GLU 135 Cb 1.14 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2klj h GLU 135 CO 0.45 0.22 0.00 1.47 -0.73 0.00 0.00 179.01 180.42 2klj n LEU 136 N -4.47 0.00 0.00 1.64 -0.00 -1.26 -2.75 117.00 110.16 2klj n LEU 136 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2klj n LEU 136 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 2klj n LEU 136 CO 0.35 0.00 0.00 -1.54 -0.00 0.00 0.00 177.39 176.20 2klj n SER 137 N -1.36 0.00 -0.62 1.45 3.41 -1.26 -2.80 113.62 112.45 2klj n SER 137 Ca 0.00 -0.51 -0.02 0.00 -0.26 0.00 0.00 58.87 58.08 2klj n SER 137 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2klj n SER 137 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2klj n ASN 138 N -1.53 -0.83 -3.65 4.04 0.23 -0.72 -2.37 115.26 110.43 2klj n ASN 138 Ca 0.00 0.04 -0.22 0.00 -0.53 0.00 0.00 54.58 53.88 2klj n ASN 138 Cb 0.00 -1.05 0.01 0.00 -2.08 0.00 0.00 39.78 36.66 2klj n ASN 138 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2klj n TYR 139 N -0.81 -2.18 -2.53 -2.53 4.02 -1.26 -4.94 117.16 106.93 2klj n TYR 139 Ca -0.02 0.80 -0.04 0.00 -0.01 0.00 0.00 57.90 58.63 2klj n TYR 139 Cb 0.09 -3.12 0.05 0.00 -0.02 0.00 0.00 39.34 36.33 2klj n TYR 139 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2klj n ARG 140 N -2.79 1.87 0.00 -0.72 3.00 -1.00 -5.08 116.66 111.94 2klj n ARG 140 Ca -0.21 -3.41 0.00 0.00 -0.00 0.00 0.00 57.85 54.23 2klj n ARG 140 Cb 0.63 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.58 2klj n ARG 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2klj n GLY 141 N -0.49 4.44 3.92 5.14 0.00 -1.26 -4.98 105.19 111.96 2klj n GLY 141 Ca 0.16 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 2klj n GLY 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2klj s ARG 142 N 4.95 2.58 0.02 1.61 1.81 -1.26 -4.92 118.95 123.74 2klj s ARG 142 Ca 0.00 -0.05 -0.06 0.00 -1.72 0.00 0.00 55.73 53.90 2klj s ARG 142 Cb 0.00 -2.19 -0.01 0.00 -0.45 0.00 0.00 34.95 32.31 2klj s ARG 142 CO 0.00 -1.00 0.11 1.14 -0.68 0.00 0.00 175.30 174.87 2klj s GLN 143 N -5.16 0.52 0.10 3.54 0.00 -1.26 -2.47 119.66 114.93 2klj s GLN 143 Ca 0.57 -0.57 0.06 0.00 -0.00 0.00 0.00 55.36 55.42 2klj s GLN 143 Cb -0.11 0.21 -0.03 0.00 0.00 0.00 0.00 33.01 33.08 2klj s GLN 143 CO 0.46 -0.13 -0.14 0.71 0.00 0.00 0.00 175.29 176.19 2klj s TYR 144 N -1.93 1.32 -0.17 9.60 2.02 -0.04 -4.95 117.35 123.20 2klj s TYR 144 Ca -0.11 -0.52 -0.04 0.00 -0.37 0.00 0.00 57.07 56.03 2klj s TYR 144 Cb -0.05 -0.71 -0.03 0.00 -0.40 0.00 0.00 41.96 40.77 2klj s TYR 144 CO -0.01 0.10 -0.03 -1.17 -1.57 0.00 0.00 175.55 172.87 2klj s LEU 145 N -2.18 3.23 -0.34 -1.29 1.98 -1.26 -1.94 118.68 116.88 2klj s LEU 145 Ca 0.05 -0.16 -0.01 0.00 -2.89 0.00 0.00 54.13 51.11 2klj s LEU 145 Cb -0.07 -1.79 0.08 0.00 0.66 0.00 0.00 46.19 45.07 2klj s LEU 145 CO 0.03 0.13 0.07 -0.76 -1.89 0.00 0.00 176.35 173.93 2klj s LEU 146 N 0.60 4.48 0.67 -0.68 2.01 -0.88 -4.97 118.68 119.91 2klj s LEU 146 Ca -0.02 -1.66 -0.11 0.00 0.01 0.00 0.00 54.13 52.34 2klj s LEU 146 Cb -0.14 -1.74 -0.01 0.00 0.01 0.00 0.00 46.19 44.31 2klj s LEU 146 CO 0.02 -0.37 1.06 0.00 1.01 0.00 0.00 176.35 178.07 2klj s MET 147 N 1.16 3.19 -0.28 1.70 0.23 -1.26 -2.40 119.30 121.64 2klj s MET 147 Ca 0.02 0.62 -0.32 0.00 -1.03 0.00 0.00 55.69 54.97 2klj s MET 147 Cb -0.21 -2.04 -0.09 0.00 -1.53 0.00 0.00 34.83 30.96 2klj s MET 147 CO -0.03 -0.84 2.20 -0.35 -2.03 0.00 0.00 175.02 173.97 2klj n PRO 148 N -2.90 1.49 -2.44 3.16 -0.04 -1.25 -4.69 135.00 128.31 2klj n PRO 148 Ca 0.07 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 2klj n PRO 148 Cb 0.56 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 2klj n PRO 148 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2klj n GLY 149 N 6.15 -0.60 3.03 0.55 0.00 -0.68 -4.99 105.19 108.65 2klj n GLY 149 Ca 0.36 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 2klj n GLY 149 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2klj s ASP 150 N -4.00 2.04 -0.09 1.61 -1.08 -1.26 -1.67 116.67 112.22 2klj s ASP 150 Ca 0.00 -0.34 0.03 0.00 -0.52 0.00 0.00 52.55 51.72 2klj s ASP 150 Cb 0.00 -0.92 -0.01 0.00 -1.46 0.00 0.00 42.92 40.53 2klj s ASP 150 CO 0.00 0.02 -0.20 -0.31 0.52 0.00 0.00 175.17 175.20 2klj s TYR 151 N 0.85 2.61 -1.72 -5.34 1.51 0.15 -5.00 117.35 110.42 2klj s TYR 151 Ca -0.11 -0.70 0.15 0.00 -1.01 0.00 0.00 57.07 55.40 2klj s TYR 151 Cb -0.15 -1.70 0.20 0.00 -0.11 0.00 0.00 41.96 40.20 2klj s TYR 151 CO 0.01 -0.21 1.08 0.54 -1.11 0.00 0.00 175.55 175.87 2klj n ARG 152 N 3.17 1.59 -3.88 -0.62 5.12 -1.26 -2.38 116.66 118.40 2klj n ARG 152 Ca -0.18 -1.64 -0.03 0.00 -1.93 0.00 0.00 57.85 54.07 2klj n ARG 152 Cb 0.52 -1.31 0.02 0.00 -1.16 0.00 0.00 32.46 30.53 2klj n ARG 152 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2klj s ARG 153 N -1.19 1.22 0.25 5.56 3.03 -1.19 -1.40 118.95 125.23 2klj s ARG 153 Ca 0.22 -0.78 0.13 0.00 2.03 0.00 0.00 55.73 57.33 2klj s ARG 153 Cb 0.14 0.35 0.05 0.00 -1.03 0.00 0.00 34.95 34.45 2klj s ARG 153 CO 0.20 -0.57 1.43 0.10 -1.13 0.00 0.00 175.30 175.32 2klj h TYR 154 N 2.00 0.00 0.00 5.89 -0.00 -1.82 -3.14 116.97 119.90 2klj h TYR 154 Ca -0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.44 2klj h TYR 154 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.94 2klj h TYR 154 CO 1.28 0.61 -0.09 1.96 -0.00 0.00 0.00 178.16 181.92 2klj h GLN 155 N 0.00 0.00 -0.67 0.10 4.20 -1.96 -2.80 115.11 113.98 2klj h GLN 155 Ca -0.01 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.79 2klj h GLN 155 Cb 1.44 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.15 2klj h GLN 155 CO 0.08 0.09 0.32 -0.44 -0.67 0.00 0.00 178.83 178.21 2klj h ASP 156 N 0.00 0.41 -0.52 1.46 3.32 -1.93 0.23 116.42 119.40 2klj h ASP 156 Ca -0.00 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 2klj h ASP 156 Cb 0.70 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.17 2klj h ASP 156 CO 0.01 0.24 0.16 -2.67 -1.72 0.00 0.00 179.24 175.27 2klj n TRP 157 N -4.89 1.76 -3.30 4.55 2.14 -1.19 -4.94 117.44 111.58 2klj n TRP 157 Ca 0.10 -0.85 -0.13 0.00 2.07 0.00 0.00 57.50 58.69 2klj n TRP 157 Cb 0.26 -0.52 0.01 0.00 -0.81 0.00 0.00 31.31 30.24 2klj n TRP 157 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2klj n GLY 158 N 0.06 -1.13 3.12 -1.67 0.00 0.82 -4.85 105.19 101.54 2klj n GLY 158 Ca 0.28 0.70 -0.23 0.00 0.00 0.00 0.00 46.02 46.77 2klj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klj s ALA 159 N -2.78 1.25 0.40 4.61 0.00 -1.06 -5.01 121.76 119.16 2klj s ALA 159 Ca 0.08 -0.63 0.10 0.00 0.00 0.00 0.00 51.96 51.51 2klj s ALA 159 Cb -0.01 -0.34 0.84 0.00 0.00 0.00 0.00 23.12 23.61 2klj s ALA 159 CO 0.81 0.29 1.95 0.00 0.00 0.00 0.00 175.76 178.81 2klj h THR 160 N 4.87 1.15 -3.03 0.00 1.03 -1.95 -3.40 112.91 111.57 2klj h THR 160 Ca -0.35 -0.64 -0.05 0.00 -0.01 0.00 0.00 66.41 65.36 2klj h THR 160 Cb 1.16 1.12 -0.14 0.00 -1.07 0.00 0.00 68.15 69.21 2klj h THR 160 CO 0.49 0.20 0.02 0.20 -0.01 0.00 0.00 175.52 176.41 2klj s ASN 161 N -6.88 -0.38 0.48 0.00 -0.87 -1.26 -5.02 114.94 101.01 2klj s ASN 161 Ca -0.06 -0.03 0.30 0.00 -1.57 0.00 0.00 52.86 51.51 2klj s ASN 161 Cb 0.16 0.50 1.15 0.00 -0.02 0.00 0.00 41.25 43.03 2klj s ASN 161 CO 0.73 -0.80 1.88 0.00 -2.57 0.00 0.00 177.10 176.34 2klj h ALA 162 N 2.55 1.00 -0.49 0.60 0.00 -1.87 -3.46 119.26 117.59 2klj h ALA 162 Ca -0.32 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.97 2klj h ALA 162 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2klj h ALA 162 CO 0.43 0.00 0.65 0.54 0.00 0.00 0.00 179.25 180.87 2klj n ARG 163 N -2.92 0.00 -3.69 0.00 1.74 -1.26 -2.55 116.66 107.97 2klj n ARG 163 Ca 0.01 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.89 2klj n ARG 163 Cb 0.33 -1.09 -0.18 0.00 -1.02 0.00 0.00 32.46 30.50 2klj n ARG 163 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2klj s VAL 164 N 2.90 -0.03 -0.04 1.55 1.01 0.44 -4.38 120.40 121.84 2klj s VAL 164 Ca 0.80 0.37 0.15 0.00 0.00 0.00 0.00 61.98 63.30 2klj s VAL 164 Cb -1.09 -0.20 -0.23 0.00 0.00 0.00 0.00 36.38 34.86 2klj s VAL 164 CO 0.56 0.19 0.29 0.61 0.00 0.00 0.00 175.10 176.74 2klj n GLY 165 N 5.21 -0.71 3.70 4.51 0.00 0.16 -4.55 105.19 113.51 2klj n GLY 165 Ca -0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 2klj n GLY 165 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2klj s SER 166 N -3.96 -0.19 0.02 1.61 0.01 -1.12 -1.47 113.70 108.60 2klj s SER 166 Ca -0.06 -0.31 -0.27 0.00 1.31 0.00 0.00 55.95 56.62 2klj s SER 166 Cb 0.09 0.43 0.09 0.00 0.21 0.00 0.00 66.02 66.83 2klj s SER 166 CO 0.63 -0.77 0.77 -1.48 0.41 0.00 0.00 173.24 172.80 2klj s LEU 167 N -2.87 -0.48 0.28 2.44 2.34 0.57 -0.03 118.68 120.93 2klj s LEU 167 Ca 0.11 0.17 -0.00 0.00 0.06 0.00 0.00 54.13 54.47 2klj s LEU 167 Cb -0.01 2.29 -0.02 0.00 -0.56 0.00 0.00 46.19 47.89 2klj s LEU 167 CO -0.00 -0.70 0.30 0.00 -1.06 0.00 0.00 176.35 174.88 2klj s ARG 168 N -2.76 1.58 -0.14 1.48 1.70 -0.77 0.17 118.95 120.22 2klj s ARG 168 Ca 0.00 -1.74 -0.25 0.00 -0.47 0.00 0.00 55.73 53.27 2klj s ARG 168 Cb -0.01 0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 34.70 2klj s ARG 168 CO -0.06 -0.60 0.79 -0.98 -1.08 0.00 0.00 175.30 173.38 2klj s ARG 169 N -3.66 4.34 -0.26 3.89 1.70 -1.26 -1.16 118.95 122.53 2klj s ARG 169 Ca 0.36 0.98 -0.02 0.00 -0.47 0.00 0.00 55.73 56.58 2klj s ARG 169 Cb 0.03 -3.54 0.11 0.00 -0.57 0.00 0.00 34.95 30.98 2klj s ARG 169 CO 0.19 -0.22 2.30 1.55 -1.08 0.00 0.00 175.30 178.04 2klj n VAL 170 N 4.47 2.77 -4.68 4.99 3.14 -0.44 -4.84 118.33 123.74 2klj n VAL 170 Ca 0.03 -1.71 -0.28 0.00 -2.96 0.00 0.00 64.34 59.42 2klj n VAL 170 Cb 0.50 -1.47 -0.17 0.00 -1.06 0.00 0.00 33.84 31.64 2klj n VAL 170 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2klj s ILE 171 N -1.62 1.50 0.00 1.55 1.09 -1.26 -4.79 121.20 117.67 2klj s ILE 171 Ca 0.34 -0.68 0.00 0.00 -1.10 0.00 0.00 60.65 59.22 2klj s ILE 171 Cb 0.24 -1.35 0.00 0.00 -1.06 0.00 0.00 42.46 40.29 2klj s ILE 171 CO -0.05 0.44 0.38 -0.67 -0.10 0.00 0.00 174.94 174.95 2klj n ASP 172 N 3.90 0.25 0.00 3.58 2.03 -1.26 -4.92 116.55 120.13 2klj n ASP 172 Ca -0.20 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.01 2klj n ASP 172 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 2klj n ASP 172 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2klj n PHE 173 N -0.05 0.00 -0.10 -0.67 3.01 -1.26 -4.56 117.46 113.82 2klj n PHE 173 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2klj n PHE 173 Cb 0.36 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 2klj n PHE 173 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22