#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kop s ARG 3 N 0.00 1.94 0.03 0.00 0.52 -1.26 -5.06 118.95 115.12 3kop s ARG 3 Ca 0.00 -1.09 0.05 0.00 -0.52 0.00 0.00 55.73 54.18 3kop s ARG 3 Cb 0.00 -2.17 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 3kop s ARG 3 CO 0.00 0.51 -0.16 0.71 0.02 0.00 0.00 175.30 176.38 3kop s TYR 4 N -1.08 1.36 0.11 -0.53 2.02 -1.26 -0.96 117.35 117.00 3kop s TYR 4 Ca 0.17 -0.34 0.09 0.00 -0.37 0.00 0.00 57.07 56.62 3kop s TYR 4 Cb -0.11 -0.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.60 3kop s TYR 4 CO 0.09 0.04 -0.18 0.96 -1.57 0.00 0.00 175.55 174.89 3kop s ILE 5 N -0.77 2.82 -0.04 2.71 -4.36 -0.03 -1.11 121.20 120.42 3kop s ILE 5 Ca 0.03 -1.48 -0.08 0.00 -0.26 0.00 0.00 60.65 58.87 3kop s ILE 5 Cb -0.08 -2.28 -0.05 0.00 1.25 0.00 0.00 42.46 41.31 3kop s ILE 5 CO 0.01 0.13 0.25 0.20 0.24 0.00 0.00 174.94 175.77 3kop s ASN 6 N -2.06 6.52 -0.15 4.36 0.01 0.45 -0.57 114.94 123.50 3kop s ASN 6 Ca 0.17 0.60 0.00 0.00 -0.71 0.00 0.00 52.86 52.93 3kop s ASN 6 Cb -0.11 -2.11 0.03 0.00 0.41 0.00 0.00 41.25 39.47 3kop s ASN 6 CO 0.09 0.32 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.27 3kop s ILE 7 N -1.17 1.37 -0.04 0.60 1.01 -0.19 -1.45 121.20 121.34 3kop s ILE 7 Ca 0.23 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.28 3kop s ILE 7 Cb -0.13 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 40.95 3kop s ILE 7 CO 0.12 0.32 -0.11 -0.89 0.00 0.00 0.00 174.94 174.38 3kop s THR 8 N 1.55 0.97 -0.38 2.92 2.01 -0.40 -0.67 115.64 121.65 3kop s THR 8 Ca 0.03 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.40 3kop s THR 8 Cb -0.14 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.51 3kop s THR 8 CO -0.09 0.30 0.54 -0.76 -0.69 0.00 0.00 174.62 173.92 3kop s LEU 9 N 0.31 4.43 0.20 4.42 1.43 0.82 -0.63 118.68 129.66 3kop s LEU 9 Ca -0.06 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3kop s LEU 9 Cb -0.11 -2.61 0.15 0.00 0.03 0.00 0.00 46.19 43.65 3kop s LEU 9 CO 0.01 -0.57 1.54 -0.33 0.23 0.00 0.00 176.35 177.24 3kop h GLU 10 N 8.58 0.56 0.04 1.70 5.08 -1.51 0.24 114.58 129.28 3kop h GLU 10 Ca -0.27 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 57.77 3kop h GLU 10 Cb 1.12 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3kop h GLU 10 CO 0.81 0.92 -0.02 -0.22 -1.00 0.00 0.00 179.01 179.50 3kop h LYS 11 N 0.44 -0.05 0.00 2.33 3.64 -1.82 -3.20 116.57 117.91 3kop h LYS 11 Ca 0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3kop h LYS 11 Cb 1.01 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3kop h LYS 11 CO 0.09 0.57 -0.02 0.00 -2.27 0.00 0.00 179.45 177.82 3kop h ARG 12 N -0.92 0.00 -3.64 1.90 3.08 -1.94 -3.47 114.38 109.39 3kop h ARG 12 Ca -0.01 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 3kop h ARG 12 Cb 0.65 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.77 3kop h ARG 12 CO 0.01 0.02 -0.40 0.41 -1.07 0.00 0.00 179.97 178.94 3kop n GLY 13 N -0.68 0.01 3.34 0.04 0.00 0.05 -5.02 105.19 102.92 3kop n GLY 13 Ca -0.02 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3kop n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kop s VAL 14 N -3.11 2.94 0.02 1.61 1.01 -1.04 -4.98 120.40 116.86 3kop s VAL 14 Ca 0.31 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.65 3kop s VAL 14 Cb -0.14 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3kop s VAL 14 CO 0.38 0.52 -0.16 -0.89 0.00 0.00 0.00 175.10 174.95 3kop s THR 15 N 0.48 1.27 0.29 3.92 2.01 -1.26 -0.13 115.64 122.23 3kop s THR 15 Ca -0.10 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.02 3kop s THR 15 Cb -0.16 -1.11 -0.06 0.00 0.01 0.00 0.00 72.50 71.19 3kop s THR 15 CO 0.04 0.17 0.06 0.00 -0.69 0.00 0.00 174.62 174.20 3kop s LYS 17 N -3.92 1.99 -0.03 0.00 2.20 -0.43 -1.02 119.74 118.52 3kop s LYS 17 Ca 0.36 -0.76 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 3kop s LYS 17 Cb 0.08 -1.78 -0.01 0.00 -1.51 0.00 0.00 37.83 34.61 3kop s LYS 17 CO 0.14 0.37 -0.17 0.00 -0.36 0.00 0.00 175.35 175.33 3kop s ALA 18 N -0.23 1.48 -0.01 3.13 0.00 0.26 0.07 121.76 126.47 3kop s ALA 18 Ca 0.01 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 3kop s ALA 18 Cb -0.11 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 3kop s ALA 18 CO 0.01 0.30 1.30 -1.17 0.00 0.00 0.00 175.76 176.20 3kop s LEU 19 N -0.13 4.31 -0.01 0.00 2.96 0.14 -0.85 118.68 125.09 3kop s LEU 19 Ca 0.00 1.99 -0.30 0.00 -0.22 0.00 0.00 54.13 55.61 3kop s LEU 19 Cb -0.10 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 3kop s LEU 19 CO 0.01 -0.63 1.09 -0.22 -1.32 0.00 0.00 176.35 175.28 3kop s LEU 20 N 2.09 4.33 -1.36 -0.68 2.96 -0.14 -1.49 118.68 124.39 3kop s LEU 20 Ca 0.60 1.76 -0.09 0.00 -0.22 0.00 0.00 54.13 56.18 3kop s LEU 20 Cb -0.29 -3.57 0.10 0.00 0.50 0.00 0.00 46.19 42.94 3kop s LEU 20 CO 0.25 -0.41 2.22 0.18 -1.32 0.00 0.00 176.35 177.27 3kop n LEU 21 N 4.36 7.39 0.25 -0.68 4.77 0.52 -4.63 117.00 128.98 3kop n LEU 21 Ca 0.08 -4.62 0.08 0.00 -0.03 0.00 0.00 56.01 51.53 3kop n LEU 21 Cb 0.48 -1.48 0.62 0.00 -2.33 0.00 0.00 43.42 40.71 3kop n LEU 21 CO 0.54 1.64 0.97 0.44 -1.33 0.00 0.00 177.39 179.65 3kop h ASP 22 N 5.33 0.00 0.11 -1.43 3.32 -1.84 0.18 116.42 122.09 3kop h ASP 22 Ca 0.57 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.62 3kop h ASP 22 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3kop h ASP 22 CO 1.64 0.12 -0.05 -2.24 -1.72 0.00 0.00 179.24 176.99 3kop h ASP 23 N 0.00 -0.12 0.09 6.45 2.03 -1.97 -3.24 116.42 119.65 3kop h ASP 23 Ca -0.00 -0.39 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 3kop h ASP 23 Cb 0.23 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.76 3kop h ASP 23 CO 0.02 0.36 -1.69 1.33 -1.03 0.00 0.00 179.24 178.22 3kop n VAL 24 N -4.93 0.05 -3.18 4.15 0.24 -1.19 -4.51 118.33 108.96 3kop n VAL 24 Ca -0.09 -0.39 -0.24 0.00 -2.04 0.00 0.00 64.34 61.58 3kop n VAL 24 Cb 0.26 0.18 -0.05 0.00 -1.47 0.00 0.00 33.84 32.75 3kop n VAL 24 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kop n ALA 25 N -2.09 3.25 -0.20 2.33 0.00 0.63 -4.42 120.51 120.01 3kop n ALA 25 Ca -0.02 -4.04 -0.08 0.00 0.00 0.00 0.00 53.44 49.30 3kop n ALA 25 Cb 0.52 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 19.14 3kop n ALA 25 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3kop h PRO 26 N 3.49 0.92 -0.51 0.00 0.13 -1.67 -1.41 132.00 132.96 3kop h PRO 26 Ca 0.12 -0.22 -0.11 0.00 -0.87 0.00 0.00 66.00 64.92 3kop h PRO 26 Cb 0.76 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 3kop h PRO 26 CO 0.65 0.86 -0.11 0.00 -0.23 0.00 0.00 178.00 179.16 3kop h ARG 27 N 0.82 0.97 -0.18 0.86 3.08 -1.93 -1.62 114.38 116.38 3kop h ARG 27 Ca 0.18 -0.37 -0.12 0.00 0.07 0.00 0.00 59.98 59.74 3kop h ARG 27 Cb 0.36 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3kop h ARG 27 CO 0.00 1.04 -0.36 1.15 -1.07 0.00 0.00 179.97 180.73 3kop h THR 28 N 0.83 1.34 -0.53 2.04 2.02 -1.90 -1.90 112.91 114.81 3kop h THR 28 Ca 0.13 -1.59 0.04 0.00 0.77 0.00 0.00 66.41 65.75 3kop h THR 28 Cb 0.67 1.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 3kop h THR 28 CO 0.05 0.49 0.29 0.28 0.37 0.00 0.00 175.52 177.00 3kop h SER 29 N 0.23 0.44 -0.15 4.18 0.02 -1.23 -1.06 113.55 115.99 3kop h SER 29 Ca 0.01 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3kop h SER 29 Cb 0.96 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 3kop h SER 29 CO 0.08 0.30 0.03 0.50 -1.14 0.00 0.00 176.83 176.60 3kop h LYS 30 N 0.57 0.24 -0.55 3.45 3.64 -1.27 0.02 116.57 122.67 3kop h LYS 30 Ca 0.23 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.64 3kop h LYS 30 Cb 0.10 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.81 3kop h LYS 30 CO -0.14 0.42 0.13 0.00 -2.27 0.00 0.00 179.45 177.59 3kop h ALA 31 N 0.81 0.64 0.26 5.00 0.00 -1.06 0.04 119.26 124.96 3kop h ALA 31 Ca 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kop h ALA 31 Cb 0.29 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3kop h ALA 31 CO 0.00 -0.29 -0.13 0.28 0.00 0.00 0.00 179.25 179.11 3kop h VAL 32 N 0.27 0.72 -0.45 0.00 2.07 -1.17 -3.20 116.25 114.48 3kop h VAL 32 Ca 0.28 -0.77 0.07 0.00 0.82 0.00 0.00 66.70 67.10 3kop h VAL 32 Cb 0.39 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 3kop h VAL 32 CO -0.35 0.14 0.08 -0.25 0.02 0.00 0.00 177.57 177.22 3kop h TRP 33 N -0.81 0.13 0.00 1.57 2.91 -0.73 -0.53 115.95 118.50 3kop h TRP 33 Ca -0.04 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.01 3kop h TRP 33 Cb 0.51 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.17 3kop h TRP 33 CO 0.04 -0.00 -0.02 -0.44 -1.03 0.00 0.00 178.44 176.99 3kop h ASP 34 N 0.22 0.00 -0.03 2.65 3.32 -1.10 -2.89 116.42 118.58 3kop h ASP 34 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3kop h ASP 34 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3kop h ASP 34 CO -0.29 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.25 3kop n ALA 35 N -2.15 2.47 -1.76 3.45 0.00 -0.24 -5.01 120.51 117.26 3kop n ALA 35 Ca -0.02 -0.67 -0.34 0.00 0.00 0.00 0.00 53.44 52.41 3kop n ALA 35 Cb 0.14 -0.69 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 3kop n ALA 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kop s LEU 36 N -1.71 3.75 0.52 0.00 1.43 -0.98 -4.26 118.68 117.44 3kop s LEU 36 Ca 0.24 2.02 -0.17 0.00 -1.03 0.00 0.00 54.13 55.19 3kop s LEU 36 Cb 0.17 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.75 3kop s LEU 36 CO 0.26 -1.03 1.00 -2.16 0.23 0.00 0.00 176.35 174.65 3kop s PRO 37 N -3.37 3.81 -0.08 1.29 0.04 -1.26 -4.95 135.00 130.48 3kop s PRO 37 Ca 0.69 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.84 3kop s PRO 37 Cb -0.20 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.24 3kop s PRO 37 CO 0.25 -0.39 -0.20 -0.65 0.04 0.00 0.00 177.00 176.05 3kop s GLN 38 N -3.90 2.49 -0.14 4.56 -1.52 0.03 -4.99 119.66 116.21 3kop s GLN 38 Ca 0.61 -0.73 -0.08 0.00 -1.95 0.00 0.00 55.36 53.22 3kop s GLN 38 Cb -0.12 -1.96 0.05 0.00 -0.22 0.00 0.00 33.01 30.76 3kop s GLN 38 CO 0.30 0.17 0.33 0.45 -0.25 0.00 0.00 175.29 176.29 3kop s SER 39 N 0.34 -0.39 0.13 5.90 0.15 -1.26 -0.04 113.70 118.52 3kop s SER 39 Ca -0.15 0.72 -0.26 0.00 0.70 0.00 0.00 55.95 56.97 3kop s SER 39 Cb -0.16 0.61 0.07 0.00 -1.71 0.00 0.00 66.02 64.83 3kop s SER 39 CO 0.06 -0.17 0.93 -0.55 1.20 0.00 0.00 173.24 174.71 3kop s SER 40 N 1.19 -0.23 -0.31 5.45 0.15 -0.84 -4.99 113.70 114.13 3kop s SER 40 Ca -0.08 -0.32 -0.43 0.00 0.70 0.00 0.00 55.95 55.82 3kop s SER 40 Cb -0.08 0.48 -0.18 0.00 -1.71 0.00 0.00 66.02 64.52 3kop s SER 40 CO -0.09 -0.86 1.54 1.67 1.20 0.00 0.00 173.24 176.69 3kop n GLN 41 N -0.42 0.45 -2.62 5.44 -0.06 -1.26 -0.70 117.38 118.20 3kop n GLN 41 Ca -0.07 0.16 -0.35 0.00 -2.00 0.00 0.00 57.00 54.75 3kop n GLN 41 Cb 0.61 -1.73 -0.05 0.00 -4.06 0.00 0.00 30.24 25.01 3kop n GLN 41 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3kop s VAL 42 N 2.48 3.93 0.03 1.69 0.11 -0.92 -4.37 120.40 123.35 3kop s VAL 42 Ca 0.99 1.33 0.03 0.00 -2.93 0.00 0.00 61.98 61.40 3kop s VAL 42 Cb -1.29 -3.61 -0.02 0.00 -1.53 0.00 0.00 36.38 29.94 3kop s VAL 42 CO 0.70 -0.14 -0.11 -0.36 -3.33 0.00 0.00 175.10 171.87 3kop s PHE 43 N -1.88 0.93 0.06 1.54 0.08 0.40 -4.86 117.98 114.26 3kop s PHE 43 Ca 0.61 -0.32 -0.23 0.00 0.12 0.00 0.00 56.93 57.12 3kop s PHE 43 Cb -0.17 -0.57 -0.06 0.00 -0.57 0.00 0.00 43.02 41.65 3kop s PHE 43 CO 0.21 -0.01 0.69 -1.58 -0.10 0.00 0.00 175.22 174.44 3kop s HIS 44 N -0.76 3.77 0.50 0.36 5.65 -1.26 -0.80 115.29 122.76 3kop s HIS 44 Ca -0.01 1.40 -0.23 0.00 0.25 0.00 0.00 55.06 56.47 3kop s HIS 44 Cb -0.07 -2.70 -0.06 0.00 -1.18 0.00 0.00 32.58 28.57 3kop s HIS 44 CO 0.01 0.40 1.40 0.20 -0.65 0.00 0.00 174.74 176.10 3kop s GLY 45 N -0.52 2.91 -0.03 1.59 0.00 0.01 -4.94 107.32 106.33 3kop s GLY 45 Ca 0.34 1.42 0.20 0.00 0.00 0.00 0.00 44.72 46.68 3kop s GLY 45 CO 0.21 1.98 0.43 0.28 0.00 0.00 0.00 173.10 176.00 3kop n LYS 46 N -0.65 0.61 0.00 2.90 5.02 -1.26 -4.66 118.16 120.12 3kop n LYS 46 Ca 0.08 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 3kop n LYS 46 Cb 0.43 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3kop n LYS 46 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 3kop n TYR 47 N -2.20 0.00 1.32 2.13 0.18 -1.26 -4.77 117.16 112.55 3kop n TYR 47 Ca -0.04 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.83 3kop n TYR 47 Cb 0.53 0.00 0.34 0.00 -0.38 0.00 0.00 39.34 39.84 3kop n TYR 47 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3kop n ALA 48 N -2.15 2.52 -0.22 -3.48 0.00 -1.26 -4.70 120.51 111.22 3kop n ALA 48 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3kop n ALA 48 Cb 0.48 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3kop n ALA 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kop n ARG 49 N 0.15 0.00 -2.05 0.00 0.63 -1.26 -4.28 116.66 109.85 3kop n ARG 49 Ca 0.14 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.65 3kop n ARG 49 Cb 0.27 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.18 3kop n ARG 49 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3kop n ASN 50 N 7.92 5.15 -3.85 6.15 3.02 -1.26 -4.60 115.26 127.79 3kop n ASN 50 Ca 0.00 -2.99 -0.14 0.00 -0.03 0.00 0.00 54.58 51.42 3kop n ASN 50 Cb 0.00 -1.53 -0.15 0.00 -0.61 0.00 0.00 39.78 37.49 3kop n ASN 50 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3kop s GLU 51 N 1.27 0.07 0.26 3.52 2.12 -1.26 -1.11 118.70 123.56 3kop s GLU 51 Ca 0.45 0.03 0.12 0.00 0.36 0.00 0.00 54.97 55.93 3kop s GLU 51 Cb 0.12 -0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.31 3kop s GLU 51 CO -0.04 -0.04 -0.21 0.96 -0.54 0.00 0.00 175.26 175.39 3kop s ILE 52 N 0.35 2.44 0.26 -3.70 -4.36 -0.35 -0.81 121.20 115.03 3kop s ILE 52 Ca -0.03 -2.31 -0.18 0.00 -0.26 0.00 0.00 60.65 57.87 3kop s ILE 52 Cb -0.05 -2.25 0.01 0.00 1.25 0.00 0.00 42.46 41.42 3kop s ILE 52 CO -0.01 -0.33 0.63 -0.72 0.24 0.00 0.00 174.94 174.75 3kop s TYR 53 N -2.29 0.00 0.37 1.37 1.13 0.02 -0.27 117.35 117.69 3kop s TYR 53 Ca 0.28 -0.42 0.04 0.00 -1.41 0.00 0.00 57.07 55.55 3kop s TYR 53 Cb -0.06 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 3kop s TYR 53 CO 0.14 -1.14 0.08 0.54 -2.51 0.00 0.00 175.55 172.66 3kop s ASN 54 N -2.95 2.69 -0.07 -0.18 2.20 -0.51 -0.45 114.94 115.67 3kop s ASN 54 Ca 0.15 -1.52 0.02 0.00 -0.94 0.00 0.00 52.86 50.56 3kop s ASN 54 Cb -0.04 0.20 0.02 0.00 -2.00 0.00 0.00 41.25 39.43 3kop s ASN 54 CO 0.07 -0.76 -0.10 -0.76 -2.94 0.00 0.00 177.10 172.61 3kop s LEU 55 N -3.57 1.52 0.02 3.54 1.43 -1.26 -2.10 118.68 118.26 3kop s LEU 55 Ca 0.29 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3kop s LEU 55 Cb 0.06 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 3kop s LEU 55 CO 0.14 -0.01 -0.05 0.68 0.23 0.00 0.00 176.35 177.34 3kop s VAL 56 N 0.87 0.34 0.53 -1.59 -7.23 -0.09 -4.84 120.40 108.39 3kop s VAL 56 Ca -0.11 -0.81 -0.22 0.00 -1.81 0.00 0.00 61.98 59.03 3kop s VAL 56 Cb -0.15 -0.41 -0.06 0.00 0.56 0.00 0.00 36.38 36.32 3kop s VAL 56 CO 0.01 -0.32 1.24 -2.65 -0.31 0.00 0.00 175.10 173.08 3kop n PRO 57 N 1.86 1.55 -1.64 4.82 -0.02 -1.26 0.19 135.00 140.49 3kop n PRO 57 Ca -0.21 0.57 -0.44 0.00 -2.02 0.00 0.00 63.50 61.40 3kop n PRO 57 Cb 0.56 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 3kop n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kop n ALA 58 N -1.00 0.48 -0.01 3.55 0.00 -0.62 -4.62 120.51 118.30 3kop n ALA 58 Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3kop n ALA 58 Cb 0.44 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 3kop n ALA 58 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3kop n PHE 59 N 0.63 0.00 -2.43 0.00 1.16 -1.26 -5.04 117.46 110.52 3kop n PHE 59 Ca 0.09 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.34 3kop n PHE 59 Cb 0.33 -0.08 -0.04 0.00 -1.61 0.00 0.00 39.48 38.09 3kop n PHE 59 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3kop s ALA 60 N -2.11 3.04 0.42 1.98 0.00 -1.26 -4.95 121.76 118.88 3kop s ALA 60 Ca -0.01 0.23 0.08 0.00 0.00 0.00 0.00 51.96 52.26 3kop s ALA 60 Cb 0.01 -3.13 0.89 0.00 0.00 0.00 0.00 23.12 20.89 3kop s ALA 60 CO 0.09 -0.23 2.05 -1.35 0.00 0.00 0.00 175.76 176.33 3kop h PRO 61 N 1.02 0.46 -3.04 0.00 0.11 -1.97 -3.42 132.00 125.16 3kop h PRO 61 Ca -0.47 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.46 3kop h PRO 61 Cb 1.19 -0.10 -0.23 0.00 0.11 0.00 0.00 31.00 31.96 3kop h PRO 61 CO 0.61 0.33 -0.35 -1.59 -0.21 0.00 0.00 178.00 176.79 3kop s LYS 62 N -5.38 0.44 0.51 1.05 -2.85 -1.26 -5.15 119.74 107.10 3kop s LYS 62 Ca -0.08 0.21 -0.23 0.00 -1.00 0.00 0.00 55.97 54.88 3kop s LYS 62 Cb 0.17 0.21 -0.06 0.00 -2.06 0.00 0.00 37.83 36.09 3kop s LYS 62 CO 0.73 -0.08 1.31 -1.21 0.10 0.00 0.00 175.35 176.19 3kop s GLU 63 N -0.33 3.39 0.48 1.78 0.41 -1.26 -4.92 118.70 118.26 3kop s GLU 63 Ca -0.04 2.11 0.27 0.00 -0.41 0.00 0.00 54.97 56.90 3kop s GLU 63 Cb -0.03 -2.35 1.08 0.00 -1.78 0.00 0.00 34.13 31.04 3kop s GLU 63 CO 0.01 -0.95 1.88 -1.00 -0.49 0.00 0.00 175.26 174.72 3kop h PRO 64 N 1.75 0.00 0.00 0.39 0.13 -1.98 -3.50 132.00 128.80 3kop h PRO 64 Ca -0.50 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.76 3kop h PRO 64 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 3kop h PRO 64 CO 0.59 0.14 -0.18 0.41 -0.23 0.00 0.00 178.00 178.73 3kop n GLY 65 N 0.10 -2.07 3.71 1.56 0.00 -1.26 -4.81 105.19 102.41 3kop n GLY 65 Ca 0.00 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 3kop n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kop s ALA 66 N -1.46 3.85 -0.26 4.61 0.00 -1.26 -4.97 121.76 122.27 3kop s ALA 66 Ca 0.00 1.52 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 3kop s ALA 66 Cb 0.00 -3.73 0.09 0.00 0.00 0.00 0.00 23.12 19.48 3kop s ALA 66 CO 0.00 -1.08 0.61 -2.00 0.00 0.00 0.00 175.76 173.29 3kop s GLU 67 N 1.98 0.58 -1.48 0.00 2.12 -1.26 -4.95 118.70 115.69 3kop s GLU 67 Ca 0.78 1.21 -0.06 0.00 0.36 0.00 0.00 54.97 57.26 3kop s GLU 67 Cb -0.48 0.36 0.05 0.00 0.26 0.00 0.00 34.13 34.32 3kop s GLU 67 CO 0.34 -0.18 0.60 -1.71 -0.54 0.00 0.00 175.26 173.78 3kop n ASN 68 N 4.76 -1.64 -4.84 -1.70 5.15 -1.26 -3.86 115.26 111.88 3kop n ASN 68 Ca -0.17 -0.96 -0.32 0.00 -0.60 0.00 0.00 54.58 52.53 3kop n ASN 68 Cb 0.54 -3.18 -0.04 0.00 -0.53 0.00 0.00 39.78 36.57 3kop n ASN 68 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3kop s THR 69 N -3.70 4.53 0.04 -0.44 -4.23 -1.26 -1.64 115.64 108.95 3kop s THR 69 Ca 0.26 1.21 0.01 0.00 -1.18 0.00 0.00 61.69 61.99 3kop s THR 69 Cb -0.14 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 3kop s THR 69 CO 0.88 -0.62 -0.06 0.28 -0.54 0.00 0.00 174.62 174.57 3kop s THR 70 N -2.53 0.38 -0.68 3.99 -1.32 -0.41 -4.89 115.64 110.18 3kop s THR 70 Ca 0.59 -1.15 0.07 0.00 -1.21 0.00 0.00 61.69 59.98 3kop s THR 70 Cb -0.10 -0.66 0.13 0.00 -1.51 0.00 0.00 72.50 70.36 3kop s THR 70 CO 0.29 -0.51 0.96 1.33 -2.21 0.00 0.00 174.62 174.48 3kop n VAL 71 N 1.27 0.57 -3.25 5.08 0.24 -1.26 -1.62 118.33 119.36 3kop n VAL 71 Ca -0.22 -0.79 -0.25 0.00 -2.04 0.00 0.00 64.34 61.04 3kop n VAL 71 Cb 0.56 0.77 -0.06 0.00 -1.47 0.00 0.00 33.84 33.64 3kop n VAL 71 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3kop n THR 72 N 0.22 1.61 -2.28 3.34 -2.24 -1.26 -0.74 114.28 112.93 3kop n THR 72 Ca 0.06 -4.98 -0.36 0.00 -2.27 0.00 0.00 64.05 56.50 3kop n THR 72 Cb 0.27 -1.75 -0.01 0.00 -2.10 0.00 0.00 70.33 66.75 3kop n THR 72 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kop s PRO 73 N -2.40 3.60 0.37 -0.78 0.04 -1.26 -4.98 135.00 129.59 3kop s PRO 73 Ca 0.41 1.68 0.08 0.00 0.04 0.00 0.00 61.00 63.21 3kop s PRO 73 Cb 0.20 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 3kop s PRO 73 CO -0.07 -0.66 0.04 0.96 0.04 0.00 0.00 177.00 177.31 3kop s ILE 74 N -1.66 2.40 0.18 0.56 -4.36 -1.26 -4.38 121.20 112.68 3kop s ILE 74 Ca 0.67 -1.94 -0.33 0.00 -0.26 0.00 0.00 60.65 58.79 3kop s ILE 74 Cb -0.26 -2.86 -0.13 0.00 1.25 0.00 0.00 42.46 40.45 3kop s ILE 74 CO 0.30 -0.12 1.57 -2.65 0.24 0.00 0.00 174.94 174.28 3kop n PRO 75 N -1.00 2.22 0.00 0.37 -0.02 -1.20 -1.66 135.00 133.71 3kop n PRO 75 Ca -0.04 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3kop n PRO 75 Cb 0.64 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3kop n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kop n GLY 76 N 3.22 0.75 3.75 -1.23 0.00 0.59 -4.93 105.19 107.36 3kop n GLY 76 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3kop n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kop s ASP 77 N -2.22 6.81 -0.16 1.61 1.01 -0.66 -0.38 116.67 122.67 3kop s ASP 77 Ca 0.00 2.58 0.01 0.00 0.71 0.00 0.00 52.55 55.85 3kop s ASP 77 Cb 0.00 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3kop s ASP 77 CO 0.00 -0.55 -0.17 -0.69 0.21 0.00 0.00 175.17 173.97 3kop s VAL 78 N -0.55 2.45 0.17 -1.27 1.01 -0.31 -1.24 120.40 120.66 3kop s VAL 78 Ca 0.53 -0.84 0.11 0.00 0.00 0.00 0.00 61.98 61.78 3kop s VAL 78 Cb -0.39 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3kop s VAL 78 CO 0.46 0.52 -0.21 0.00 0.00 0.00 0.00 175.10 175.87 3kop s TYR 80 N -1.54 2.47 -0.04 0.00 6.14 0.03 -1.19 117.35 123.22 3kop s TYR 80 Ca 0.20 -1.04 0.04 0.00 0.64 0.00 0.00 57.07 56.92 3kop s TYR 80 Cb -0.09 -1.66 -0.00 0.00 0.42 0.00 0.00 41.96 40.63 3kop s TYR 80 CO 0.10 -0.43 -0.18 -0.06 0.64 0.00 0.00 175.55 175.62 3kop s PHE 81 N 0.44 1.75 -0.24 4.97 0.40 -0.56 -0.83 117.98 123.91 3kop s PHE 81 Ca -0.17 -0.50 -0.12 0.00 -0.60 0.00 0.00 56.93 55.53 3kop s PHE 81 Cb -0.17 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.13 3kop s PHE 81 CO 0.07 -0.17 0.24 0.99 0.70 0.00 0.00 175.22 177.05 3kop s THR 82 N 0.03 5.30 0.28 0.64 2.01 -1.26 -1.20 115.64 121.44 3kop s THR 82 Ca -0.04 0.34 0.06 0.00 0.31 0.00 0.00 61.69 62.36 3kop s THR 82 Cb -0.12 -3.58 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 3kop s THR 82 CO 0.02 0.29 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.84 3kop s PHE 83 N 1.31 1.92 0.38 4.92 0.08 0.35 -5.00 117.98 121.94 3kop s PHE 83 Ca 0.11 -0.74 0.08 0.00 0.12 0.00 0.00 56.93 56.49 3kop s PHE 83 Cb -0.14 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.16 3kop s PHE 83 CO 0.07 0.23 0.32 0.95 -0.10 0.00 0.00 175.22 176.69 3kop s THR 84 N -3.07 3.04 0.36 0.64 -4.23 -1.26 -0.71 115.64 110.41 3kop s THR 84 Ca 0.30 -1.38 0.08 0.00 -1.18 0.00 0.00 61.69 59.51 3kop s THR 84 Cb 0.05 -3.08 0.32 0.00 1.34 0.00 0.00 72.50 71.13 3kop s THR 84 CO 0.12 -0.08 1.89 0.28 -0.54 0.00 0.00 174.62 176.29 3kop h SER 85 N 1.16 0.66 -0.75 3.99 0.02 -1.71 -1.83 113.55 115.09 3kop h SER 85 Ca -0.43 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 60.61 3kop h SER 85 Cb 1.26 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 3kop h SER 85 CO 0.58 0.36 0.49 0.78 -1.14 0.00 0.00 176.83 177.90 3kop h ASN 86 N 0.71 0.71 -0.38 3.07 -0.26 -1.89 0.48 115.58 118.03 3kop h ASN 86 Ca 0.42 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 56.11 3kop h ASN 86 Cb 0.61 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.69 3kop h ASN 86 CO -0.18 0.47 0.09 0.44 -1.06 0.00 0.00 177.43 177.19 3kop h ASP 87 N 0.81 0.64 0.00 5.81 3.32 -1.73 -3.38 116.42 121.89 3kop h ASP 87 Ca 0.32 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 57.08 3kop h ASP 87 Cb 0.21 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3kop h ASP 87 CO -0.10 0.65 -1.67 0.18 -1.72 0.00 0.00 179.24 176.58 3kop n LEU 88 N -4.29 2.86 -3.37 1.55 4.77 -0.81 -4.65 117.00 113.06 3kop n LEU 88 Ca 0.03 -0.05 -0.35 0.00 -0.03 0.00 0.00 56.01 55.61 3kop n LEU 88 Cb 0.22 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 3kop n LEU 88 CO 0.39 0.67 2.90 0.29 -1.33 0.00 0.00 177.39 180.31 3kop n LYS 89 N -2.89 2.94 -4.36 3.23 5.02 0.16 -4.77 118.16 117.50 3kop n LYS 89 Ca -0.21 -2.03 -0.28 0.00 -2.02 0.00 0.00 58.31 53.77 3kop n LYS 89 Cb 0.72 -2.79 -0.12 0.00 -0.02 0.00 0.00 35.03 32.81 3kop n LYS 89 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kop s THR 90 N 2.91 2.56 0.20 -0.18 -4.23 -1.26 -4.87 115.64 110.77 3kop s THR 90 Ca 0.57 -1.75 -0.11 0.00 -1.18 0.00 0.00 61.69 59.22 3kop s THR 90 Cb 0.15 -2.19 0.14 0.00 1.34 0.00 0.00 72.50 71.95 3kop s THR 90 CO -0.04 0.02 1.72 -0.65 -0.54 0.00 0.00 174.62 175.12 3kop h PRO 91 N 3.55 0.28 -0.93 3.99 0.11 -1.98 -2.57 132.00 134.44 3kop h PRO 91 Ca -0.49 -0.02 0.27 0.00 0.11 0.00 0.00 66.00 65.87 3kop h PRO 91 Cb 1.18 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3kop h PRO 91 CO 0.45 0.18 0.74 0.66 -0.21 0.00 0.00 178.00 179.83 3kop h SER 92 N 0.28 0.00 0.00 -2.05 4.64 -1.96 -3.55 113.55 110.91 3kop h SER 92 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3kop h SER 92 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3kop h SER 92 CO -0.36 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.01 3kop n HIS 93 N -4.00 0.00 -3.66 4.77 8.25 -0.98 -5.13 115.22 114.47 3kop n HIS 93 Ca 0.19 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.51 3kop n HIS 93 Cb 1.06 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 32.09 3kop n HIS 93 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kop s VAL 104 N 0.04 0.01 0.23 1.59 1.01 -1.26 -5.04 120.40 116.98 3kop s VAL 104 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 3kop s VAL 104 Cb 0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.52 3kop s VAL 104 CO 0.00 -0.06 0.53 -1.10 0.00 0.00 0.00 175.10 174.47 3kop s GLN 105 N -0.46 3.77 -0.19 2.72 -0.21 -1.26 -4.92 119.66 119.11 3kop s GLN 105 Ca -0.06 0.22 -0.16 0.00 0.02 0.00 0.00 55.36 55.38 3kop s GLN 105 Cb -0.03 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 3kop s GLN 105 CO 0.04 0.32 0.38 0.99 -2.12 0.00 0.00 175.29 174.90 3kop s THR 106 N -1.82 5.22 0.03 -0.19 2.01 -1.26 -1.81 115.64 117.81 3kop s THR 106 Ca 0.46 0.69 0.08 0.00 0.31 0.00 0.00 61.69 63.23 3kop s THR 106 Cb -0.11 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 3kop s THR 106 CO 0.22 0.28 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.56 3kop s ILE 107 N 1.14 1.89 -0.11 1.82 -1.09 0.12 -1.58 121.20 123.39 3kop s ILE 107 Ca 0.19 -1.21 -0.01 0.00 -2.23 0.00 0.00 60.65 57.39 3kop s ILE 107 Cb -0.14 -1.61 -0.03 0.00 -1.58 0.00 0.00 42.46 39.10 3kop s ILE 107 CO 0.07 0.35 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.37 3kop s VAL 108 N -0.73 3.59 -0.24 2.92 1.01 0.13 -0.49 120.40 126.60 3kop s VAL 108 Ca 0.10 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 3kop s VAL 108 Cb -0.09 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3kop s VAL 108 CO 0.01 0.55 0.06 -0.62 0.00 0.00 0.00 175.10 175.11 3kop s ASP 109 N -0.22 5.16 -0.27 3.32 -1.08 -0.34 -0.91 116.67 122.33 3kop s ASP 109 Ca 0.03 -0.17 -0.07 0.00 -0.52 0.00 0.00 52.55 51.81 3kop s ASP 109 Cb -0.13 -1.92 -0.01 0.00 -1.46 0.00 0.00 42.92 39.40 3kop s ASP 109 CO 0.03 -0.00 0.07 -0.76 0.52 0.00 0.00 175.17 175.03 3kop s LEU 110 N 1.41 3.63 0.04 -1.34 1.43 -0.89 -1.49 118.68 121.46 3kop s LEU 110 Ca 0.05 -0.45 0.09 0.00 -1.03 0.00 0.00 54.13 52.80 3kop s LEU 110 Cb -0.15 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 3kop s LEU 110 CO 0.03 -0.11 -0.26 0.00 0.23 0.00 0.00 176.35 176.24 3kop s ALA 111 N 1.56 2.20 -0.15 4.21 0.00 -0.33 -1.42 121.76 127.83 3kop s ALA 111 Ca 0.05 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.78 3kop s ALA 111 Cb -0.16 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3kop s ALA 111 CO 0.03 0.52 -0.17 0.08 0.00 0.00 0.00 175.76 176.22 3kop s VAL 112 N -0.78 2.50 -0.27 0.00 1.01 0.63 -0.90 120.40 122.60 3kop s VAL 112 Ca 0.11 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 3kop s VAL 112 Cb -0.10 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3kop s VAL 112 CO 0.02 0.53 0.23 -0.36 0.00 0.00 0.00 175.10 175.52 3kop s PHE 113 N 0.77 3.24 -1.29 5.22 0.08 -0.37 -1.22 117.98 124.41 3kop s PHE 113 Ca -0.07 0.21 0.15 0.00 0.12 0.00 0.00 56.93 57.34 3kop s PHE 113 Cb -0.16 -2.42 -0.02 0.00 -0.57 0.00 0.00 43.02 39.85 3kop s PHE 113 CO 0.00 -0.15 0.79 2.48 -0.10 0.00 0.00 175.22 178.24 3kop n TYR 114 N 5.04 0.00 -4.05 0.36 0.18 -0.27 -0.30 117.16 118.13 3kop n TYR 114 Ca -0.13 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.54 3kop n TYR 114 Cb 0.52 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.44 3kop n TYR 114 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3kop n GLY 115 N 1.13 2.88 2.27 -7.48 0.00 -1.24 -4.77 105.19 97.98 3kop n GLY 115 Ca 0.06 -1.68 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 3kop n GLY 115 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kop n ARG 116 N -0.41 1.02 -3.61 1.61 1.85 -1.26 -3.22 116.66 112.64 3kop n ARG 116 Ca 0.03 -2.06 -0.21 0.00 -1.00 0.00 0.00 57.85 54.61 3kop n ARG 116 Cb 0.40 0.25 0.06 0.00 -1.05 0.00 0.00 32.46 32.12 3kop n ARG 116 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3kop n ASN 117 N -1.86 -2.45 -4.70 2.89 3.02 -1.26 -4.76 115.26 106.15 3kop n ASN 117 Ca -0.02 -0.71 -0.34 0.00 -0.03 0.00 0.00 54.58 53.48 3kop n ASN 117 Cb 0.37 -4.54 -0.09 0.00 -0.61 0.00 0.00 39.78 34.91 3kop n ASN 117 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3kop s ASN 118 N -4.14 5.24 -0.10 6.41 0.01 -1.26 -4.91 114.94 116.19 3kop s ASN 118 Ca 0.14 0.07 0.01 0.00 -0.71 0.00 0.00 52.86 52.37 3kop s ASN 118 Cb -0.06 -1.43 0.02 0.00 0.41 0.00 0.00 41.25 40.19 3kop s ASN 118 CO 0.77 0.32 -0.12 -0.76 -1.51 0.00 0.00 177.10 175.80 3kop s LEU 119 N -1.32 1.56 -1.24 0.60 1.43 -1.26 -4.09 118.68 114.37 3kop s LEU 119 Ca 0.17 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 3kop s LEU 119 Cb -0.11 -0.94 0.15 0.00 0.03 0.00 0.00 46.19 45.31 3kop s LEU 119 CO 0.08 -0.01 1.55 0.18 0.23 0.00 0.00 176.35 178.37 3kop n LEU 120 N 4.27 5.28 -3.73 1.79 4.77 0.08 -4.24 117.00 125.22 3kop n LEU 120 Ca -0.19 -4.35 -0.12 0.00 -0.03 0.00 0.00 56.01 51.33 3kop n LEU 120 Cb 0.51 -1.64 -0.12 0.00 -2.33 0.00 0.00 43.42 39.84 3kop n LEU 120 CO 0.22 0.65 -0.03 -0.22 -1.33 0.00 0.00 177.39 176.69 3kop s LEU 121 N 2.05 0.37 0.22 2.23 2.96 -1.26 -0.90 118.68 124.35 3kop s LEU 121 Ca 0.45 0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 55.01 3kop s LEU 121 Cb -0.00 1.06 -0.03 0.00 0.50 0.00 0.00 46.19 47.72 3kop s LEU 121 CO 0.02 -0.16 0.23 0.54 -1.32 0.00 0.00 176.35 175.66 3kop s ASN 122 N 0.92 0.12 0.00 3.68 2.20 0.47 -4.79 114.94 117.54 3kop s ASN 122 Ca -0.06 -1.28 0.21 0.00 -0.94 0.00 0.00 52.86 50.80 3kop s ASN 122 Cb -0.07 0.44 0.88 0.00 -2.00 0.00 0.00 41.25 40.51 3kop s ASN 122 CO -0.07 -0.93 1.62 0.61 -2.94 0.00 0.00 177.10 175.39 3kop n GLY 123 N -0.31 -0.03 0.10 0.45 0.00 -1.26 -0.97 105.19 103.17 3kop n GLY 123 Ca 0.01 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 3kop n GLY 123 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kop h ASP 124 N 1.74 0.29 0.00 1.61 3.32 -2.00 -3.44 116.42 117.93 3kop h ASP 124 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 56.15 3kop h ASP 124 Cb 0.38 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3kop h ASP 124 CO 0.00 1.35 0.00 1.07 -1.72 0.00 0.00 179.24 179.94 3kop n THR 125 N -4.23 0.00 -0.16 0.35 5.66 -1.24 -5.14 114.28 109.53 3kop n THR 125 Ca -0.17 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 3kop n THR 125 Cb 0.74 1.26 0.00 0.00 -1.55 0.00 0.00 70.33 70.78 3kop n THR 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kop n GLY 126 N 0.07 0.78 3.76 1.09 0.00 -0.14 -4.95 105.19 105.80 3kop n GLY 126 Ca 0.00 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 3kop n GLY 126 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kop s TRP 127 N 0.00 3.54 -0.48 1.61 0.52 -1.26 -0.40 118.94 122.48 3kop s TRP 127 Ca 0.00 1.66 0.03 0.00 0.02 0.00 0.00 56.10 57.81 3kop s TRP 127 Cb 0.00 -3.32 0.15 0.00 -1.15 0.00 0.00 33.47 29.15 3kop s TRP 127 CO 0.00 -0.67 0.31 0.14 0.02 0.00 0.00 176.95 176.75 3kop s VAL 128 N -1.05 1.32 0.44 4.03 -7.23 -0.08 -4.93 120.40 112.90 3kop s VAL 128 Ca 0.45 -2.83 -0.25 0.00 -1.81 0.00 0.00 61.98 57.54 3kop s VAL 128 Cb -0.32 -1.91 -0.08 0.00 0.56 0.00 0.00 36.38 34.63 3kop s VAL 128 CO 0.41 -1.01 1.30 -2.84 -0.31 0.00 0.00 175.10 172.66 3kop s PRO 129 N 0.00 3.80 -0.01 4.82 0.02 -1.26 -4.79 135.00 137.58 3kop s PRO 129 Ca 0.23 2.14 0.05 0.00 0.02 0.00 0.00 61.00 63.44 3kop s PRO 129 Cb -0.14 -2.63 -0.03 0.00 0.02 0.00 0.00 34.50 31.72 3kop s PRO 129 CO -0.08 -0.63 -0.17 0.20 -0.33 0.00 0.00 177.00 176.00 3kop s GLY 130 N -0.83 1.52 -0.17 0.52 0.00 -0.64 -4.87 107.32 102.84 3kop s GLY 130 Ca 0.60 -1.07 -0.29 0.00 0.00 0.00 0.00 44.72 43.95 3kop s GLY 130 CO 0.47 -0.90 1.41 -1.31 0.00 0.00 0.00 173.10 172.77 3kop s ASN 131 N -0.99 6.75 -0.41 1.64 -0.87 -0.01 -1.29 114.94 119.76 3kop s ASN 131 Ca 0.13 1.73 -0.25 0.00 -1.57 0.00 0.00 52.86 52.89 3kop s ASN 131 Cb -0.10 -2.54 0.02 0.00 -0.02 0.00 0.00 41.25 38.61 3kop s ASN 131 CO 0.02 -0.92 0.91 -0.69 -2.57 0.00 0.00 177.10 173.85 3kop s VAL 132 N 4.01 4.55 -0.02 1.60 1.01 -0.65 -0.79 120.40 130.11 3kop s VAL 132 Ca 0.62 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.54 3kop s VAL 132 Cb -0.24 -4.37 -0.00 0.00 0.00 0.00 0.00 36.38 31.77 3kop s VAL 132 CO 0.21 -0.67 0.16 2.22 0.00 0.00 0.00 175.10 177.03 3kop n PHE 133 N 6.92 0.00 -3.67 5.22 -1.74 -0.42 -4.70 117.46 119.07 3kop n PHE 133 Ca 0.06 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.84 3kop n PHE 133 Cb 0.48 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.43 3kop n PHE 133 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3kop s ALA 134 N -0.72 -0.88 -0.11 1.98 0.00 -1.16 -0.36 121.76 120.51 3kop s ALA 134 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3kop s ALA 134 Cb 0.00 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.69 3kop s ALA 134 CO 0.01 -0.56 -0.10 0.99 0.00 0.00 0.00 175.76 176.10 3kop s THR 135 N -3.33 1.13 0.00 0.00 2.01 -0.55 -1.16 115.64 113.73 3kop s THR 135 Ca 0.00 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 3kop s THR 135 Cb 0.01 -1.10 -0.06 0.00 0.01 0.00 0.00 72.50 71.36 3kop s THR 135 CO -0.09 0.38 1.45 -0.63 -0.69 0.00 0.00 174.62 175.05 3kop s ILE 136 N 1.43 3.62 -0.20 1.82 1.01 0.48 -0.69 121.20 128.67 3kop s ILE 136 Ca 0.00 0.99 0.09 0.00 0.00 0.00 0.00 60.65 61.73 3kop s ILE 136 Cb -0.13 -3.64 -0.12 0.00 0.01 0.00 0.00 42.46 38.58 3kop s ILE 136 CO -0.06 -0.01 0.28 1.33 0.00 0.00 0.00 174.94 176.48 3kop n VAL 137 N 4.76 0.00 -3.82 2.92 0.24 0.11 -4.90 118.33 117.63 3kop n VAL 137 Ca 0.14 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 62.07 3kop n VAL 137 Cb 0.43 0.61 -0.12 0.00 -1.47 0.00 0.00 33.84 33.29 3kop n VAL 137 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3kop s GLU 138 N -2.28 0.21 0.00 7.34 8.01 -1.01 -4.92 118.70 126.05 3kop s GLU 138 Ca -0.00 0.15 0.00 0.00 0.01 0.00 0.00 54.97 55.12 3kop s GLU 138 Cb 0.06 0.10 0.00 0.00 -4.31 0.00 0.00 34.13 29.98 3kop s GLU 138 CO 0.38 -0.03 0.00 0.41 0.01 0.00 0.00 175.26 176.03 3kop n GLY 139 N 2.83 0.58 0.19 -1.39 0.00 -1.26 -1.32 105.19 104.82 3kop n GLY 139 Ca -0.14 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 3kop n GLY 139 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kop h LEU 140 N 0.00 0.43 -0.46 0.99 5.85 -1.91 -2.75 115.31 117.46 3kop h LEU 140 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3kop h LEU 140 Cb 0.00 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3kop h LEU 140 CO 0.00 0.31 0.29 0.44 -0.34 0.00 0.00 178.44 179.14 3kop h ASP 141 N 0.54 0.49 0.00 1.25 3.32 -1.96 0.11 116.42 120.17 3kop h ASP 141 Ca 0.19 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3kop h ASP 141 Cb 0.02 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3kop h ASP 141 CO -0.09 0.35 0.00 -0.62 -1.72 0.00 0.00 179.24 177.16 3kop n GLU 142 N -4.79 0.27 0.00 3.56 4.71 -1.04 -1.69 120.64 121.66 3kop n GLU 142 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 3kop n GLU 142 Cb 0.04 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 3kop n GLU 142 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kop n ALA 144 N 0.75 0.00 -0.26 0.62 0.00 0.38 -1.74 120.51 120.26 3kop n ALA 144 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3kop n ALA 144 Cb 0.12 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.63 3kop n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kop h ALA 145 N 0.00 0.92 -0.44 0.00 0.00 -1.58 -0.55 119.26 117.61 3kop h ALA 145 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3kop h ALA 145 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3kop h ALA 145 CO 0.00 0.33 0.04 0.00 0.00 0.00 0.00 179.25 179.62 3kop h ALA 146 N 1.27 1.24 -0.18 0.00 0.00 -1.61 -1.58 119.26 118.41 3kop h ALA 146 Ca 0.27 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3kop h ALA 146 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3kop h ALA 146 CO -0.06 0.51 -0.45 0.00 0.00 0.00 0.00 179.25 179.24 3kop h GLN 148 N 0.36 0.68 -0.03 0.00 1.08 -0.82 -1.04 115.11 115.34 3kop h GLN 148 Ca 0.02 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 56.95 3kop h GLN 148 Cb 0.94 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 3kop h GLN 148 CO 0.08 0.74 -0.36 0.22 -0.95 0.00 0.00 178.83 178.55 3kop h ASP 149 N 0.63 0.06 -0.33 1.46 3.58 -0.89 -2.69 116.42 118.24 3kop h ASP 149 Ca 0.12 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.40 3kop h ASP 149 Cb 0.48 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 3kop h ASP 149 CO 0.02 0.42 -0.37 0.40 -2.88 0.00 0.00 179.24 176.84 3kop h ILE 150 N 0.05 1.29 0.00 2.25 2.04 -0.68 0.47 117.51 122.92 3kop h ILE 150 Ca 0.00 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.32 3kop h ILE 150 Cb 0.67 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3kop h ILE 150 CO 0.05 0.51 0.00 1.87 0.00 0.00 0.00 178.15 180.57 3kop n TRP 151 N -4.14 0.00 0.00 1.37 -0.00 -0.45 -0.84 117.44 113.38 3kop n TRP 151 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.47 3kop n TRP 151 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.84 3kop n TRP 151 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3kop n GLY 153 N -0.73 0.00 0.00 5.87 0.00 0.16 -5.04 105.19 105.45 3kop n GLY 153 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kop n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kop n GLY 154 N 0.00 -0.15 0.26 -0.02 0.00 -0.02 -4.83 105.19 100.44 3kop n GLY 154 Ca 0.00 -1.80 0.03 0.00 0.00 0.00 0.00 46.02 44.24 3kop n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kop n ALA 155 N 0.06 2.27 -1.67 4.61 0.00 -1.26 -4.41 120.51 120.10 3kop n ALA 155 Ca 0.00 -0.83 -0.46 0.00 0.00 0.00 0.00 53.44 52.15 3kop n ALA 155 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 3kop n ALA 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kop n ARG 156 N 0.13 2.22 -1.53 0.00 5.12 -1.26 -1.35 116.66 119.99 3kop n ARG 156 Ca 0.04 0.80 -0.18 0.00 -1.93 0.00 0.00 57.85 56.58 3kop n ARG 156 Cb 0.24 -2.59 -0.08 0.00 -1.16 0.00 0.00 32.46 28.88 3kop n ARG 156 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3kop n ASP 157 N 3.85 -5.47 -4.71 0.55 8.00 -1.26 -4.96 116.55 112.54 3kop n ASP 157 Ca 0.17 0.45 -0.35 0.00 0.71 0.00 0.00 54.79 55.77 3kop n ASP 157 Cb 0.30 -4.58 -0.09 0.00 -0.02 0.00 0.00 41.12 36.72 3kop n ASP 157 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3kop s GLU 158 N -3.54 3.15 -0.07 -1.24 2.56 -0.46 -4.62 118.70 114.48 3kop s GLU 158 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 54.97 54.63 3kop s GLU 158 Cb 0.00 -2.89 0.01 0.00 2.00 0.00 0.00 34.13 33.25 3kop s GLU 158 CO 0.00 0.67 -0.12 0.99 -0.56 0.00 0.00 175.26 176.25 3kop s THR 159 N -0.79 1.11 -0.25 -1.70 2.01 -1.26 -2.16 115.64 112.60 3kop s THR 159 Ca 0.12 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.56 3kop s THR 159 Cb -0.12 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 3kop s THR 159 CO 0.02 0.35 0.22 -0.22 -0.69 0.00 0.00 174.62 174.30 3kop s LEU 160 N 0.77 4.08 -0.14 4.42 2.96 0.12 -1.35 118.68 129.54 3kop s LEU 160 Ca -0.13 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3kop s LEU 160 Cb -0.15 -2.18 0.01 0.00 0.50 0.00 0.00 46.19 44.36 3kop s LEU 160 CO 0.02 -0.02 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.95 3kop s THR 161 N 1.44 1.91 -0.19 3.68 2.01 0.20 -1.98 115.64 122.71 3kop s THR 161 Ca 0.09 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 3kop s THR 161 Cb -0.15 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 3kop s THR 161 CO 0.08 0.52 0.07 -0.36 -0.69 0.00 0.00 174.62 174.24 3kop s PHE 162 N 0.92 3.26 0.07 4.92 0.40 0.94 -1.27 117.98 127.22 3kop s PHE 162 Ca -0.06 0.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.32 3kop s PHE 162 Cb -0.15 -2.09 -0.03 0.00 0.51 0.00 0.00 43.02 41.26 3kop s PHE 162 CO -0.03 0.15 0.07 -1.54 0.70 0.00 0.00 175.22 174.57 3kop s SER 163 N 0.42 0.33 0.23 1.36 1.04 -0.52 -0.79 113.70 115.77 3kop s SER 163 Ca 0.04 -0.88 -0.30 0.00 0.48 0.00 0.00 55.95 55.29 3kop s SER 163 Cb -0.12 0.26 -0.09 0.00 0.10 0.00 0.00 66.02 66.17 3kop s SER 163 CO 0.00 -0.67 1.17 -0.13 0.98 0.00 0.00 173.24 174.60 3kop s ARG 164 N -3.91 4.54 -0.01 4.02 0.52 -1.26 -0.41 118.95 122.44 3kop s ARG 164 Ca 0.08 1.87 -0.29 0.00 -0.52 0.00 0.00 55.73 56.88 3kop s ARG 164 Cb 0.07 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 3kop s ARG 164 CO -0.09 0.01 0.92 0.00 0.02 0.00 0.00 175.30 176.16 3kop s ALA 165 N -0.54 3.20 -1.18 2.13 0.00 -0.27 -4.62 121.76 120.48 3kop s ALA 165 Ca 0.49 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3kop s ALA 165 Cb -0.33 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3kop s ALA 165 CO 0.40 -0.19 0.30 0.39 0.00 0.00 0.00 175.76 176.65