#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 1.82 0.10 0.00 0.52 -1.26 -5.05 118.95 115.07 3kop s ARG 3 Ca 0.00 -1.14 0.08 0.00 -0.52 0.00 0.00 55.73 54.14 3kop s ARG 3 Cb 0.00 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.33 3kop s ARG 3 CO 0.00 0.49 -0.19 0.71 0.02 0.00 0.00 175.30 176.33 3kop s TYR 4 N -1.06 1.66 0.10 -0.53 2.02 -1.26 -0.57 117.35 117.71 3kop s TYR 4 Ca 0.16 -0.43 0.10 0.00 -0.37 0.00 0.00 57.07 56.53 3kop s TYR 4 Cb -0.10 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 3kop s TYR 4 CO 0.08 0.18 -0.26 0.96 -1.57 0.00 0.00 175.55 174.94 3kop s ILE 5 N -1.23 2.12 -0.02 2.71 -4.36 0.11 -1.50 121.20 119.03 3kop s ILE 5 Ca 0.05 -1.61 -0.10 0.00 -0.26 0.00 0.00 60.65 58.72 3kop s ILE 5 Cb -0.10 -1.87 -0.05 0.00 1.25 0.00 0.00 42.46 41.70 3kop s ILE 5 CO 0.04 0.14 0.30 0.20 0.24 0.00 0.00 174.94 175.86 3kop s ASN 6 N -1.80 6.61 -0.14 4.36 0.01 0.88 -0.63 114.94 124.23 3kop s ASN 6 Ca 0.12 0.72 -0.00 0.00 -0.71 0.00 0.00 52.86 52.99 3kop s ASN 6 Cb -0.10 -2.16 0.03 0.00 0.41 0.00 0.00 41.25 39.43 3kop s ASN 6 CO 0.05 0.31 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.23 3kop s ILE 7 N -1.16 1.24 -0.04 0.60 1.01 0.16 -0.96 121.20 122.06 3kop s ILE 7 Ca 0.23 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.42 3kop s ILE 7 Cb -0.14 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.08 3kop s ILE 7 CO 0.12 0.34 -0.09 -0.89 0.00 0.00 0.00 174.94 174.42 3kop s THR 8 N 1.61 0.83 -0.38 2.92 2.01 0.34 -0.94 115.64 122.03 3kop s THR 8 Ca 0.04 -0.35 -0.19 0.00 0.31 0.00 0.00 61.69 61.50 3kop s THR 8 Cb -0.13 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.62 3kop s THR 8 CO -0.09 0.27 0.56 -0.76 -0.69 0.00 0.00 174.62 173.91 3kop s LEU 9 N 0.42 4.41 0.12 4.42 1.43 0.08 -0.39 118.68 129.17 3kop s LEU 9 Ca -0.07 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 3kop s LEU 9 Cb -0.11 -2.63 -0.09 0.00 0.03 0.00 0.00 46.19 43.38 3kop s LEU 9 CO 0.01 -0.57 1.39 -0.33 0.23 0.00 0.00 176.35 177.08 3kop h GLU 10 N 8.57 0.86 0.04 1.70 5.08 -1.59 0.18 114.58 129.42 3kop h GLU 10 Ca -0.27 -0.57 -0.00 0.00 -1.00 0.00 0.00 59.36 57.52 3kop h GLU 10 Cb 1.11 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3kop h GLU 10 CO 0.81 1.20 -0.02 -0.22 -1.00 0.00 0.00 179.01 179.78 3kop h LYS 11 N 0.65 -0.05 0.00 2.33 3.64 -1.81 -3.14 116.57 118.19 3kop h LYS 11 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3kop h LYS 11 Cb 1.20 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3kop h LYS 11 CO 0.13 0.54 -0.06 0.00 -2.27 0.00 0.00 179.45 177.79 3kop h ARG 12 N -0.69 0.00 -3.89 1.90 3.08 -1.94 -3.47 114.38 109.37 3kop h ARG 12 Ca -0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 3kop h ARG 12 Cb 0.61 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.75 3kop h ARG 12 CO 0.01 0.06 -0.41 0.41 -1.07 0.00 0.00 179.97 178.97 3kop n GLY 13 N -0.12 0.06 3.27 0.04 0.00 0.59 -5.03 105.19 104.00 3kop n GLY 13 Ca -0.00 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.19 2.38 0.04 1.61 1.01 -0.97 -4.98 120.40 116.31 3kop s VAL 14 Ca 0.24 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3kop s VAL 14 Cb -0.11 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3kop s VAL 14 CO 0.42 0.55 -0.15 -0.89 0.00 0.00 0.00 175.10 175.03 3kop s THR 15 N 0.29 1.22 0.26 3.92 2.01 -1.26 -0.74 115.64 121.33 3kop s THR 15 Ca -0.15 -1.07 0.04 0.00 0.31 0.00 0.00 61.69 60.82 3kop s THR 15 Cb -0.17 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 3kop s THR 15 CO 0.07 0.02 0.02 0.00 -0.69 0.00 0.00 174.62 174.04 3kop s LYS 17 N -3.88 1.97 -0.00 0.00 2.20 -0.42 -0.66 119.74 118.95 3kop s LYS 17 Ca 0.31 -0.82 0.05 0.00 -0.36 0.00 0.00 55.97 55.15 3kop s LYS 17 Cb 0.06 -1.85 -0.01 0.00 -1.51 0.00 0.00 37.83 34.52 3kop s LYS 17 CO 0.11 0.46 -0.14 0.00 -0.36 0.00 0.00 175.35 175.42 3kop s ALA 18 N -0.44 1.19 0.03 3.13 0.00 0.19 -0.69 121.76 125.18 3kop s ALA 18 Ca 0.06 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 3kop s ALA 18 Cb -0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 3kop s ALA 18 CO 0.00 0.28 1.16 -1.17 0.00 0.00 0.00 175.76 176.03 3kop s LEU 19 N -0.50 4.35 -0.00 0.00 2.96 -0.01 -0.71 118.68 124.77 3kop s LEU 19 Ca 0.05 1.93 -0.28 0.00 -0.22 0.00 0.00 54.13 55.60 3kop s LEU 19 Cb -0.06 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 3kop s LEU 19 CO -0.00 -0.46 0.91 -0.22 -1.32 0.00 0.00 176.35 175.26 3kop s LEU 20 N 1.24 4.37 -1.34 -0.68 2.96 0.26 -1.47 118.68 124.03 3kop s LEU 20 Ca 0.57 1.56 -0.07 0.00 -0.22 0.00 0.00 54.13 55.97 3kop s LEU 20 Cb -0.27 -3.45 0.12 0.00 0.50 0.00 0.00 46.19 43.08 3kop s LEU 20 CO 0.28 -0.20 2.28 0.18 -1.32 0.00 0.00 176.35 177.57 3kop n LEU 21 N 3.73 7.69 0.20 -0.68 4.77 0.19 -4.59 117.00 128.31 3kop n LEU 21 Ca 0.04 -4.77 0.11 0.00 -0.03 0.00 0.00 56.01 51.37 3kop n LEU 21 Cb 0.51 -1.42 0.66 0.00 -2.33 0.00 0.00 43.42 40.84 3kop n LEU 21 CO 0.51 1.85 1.10 0.44 -1.33 0.00 0.00 177.39 179.96 3kop h ASP 22 N 4.99 0.00 0.03 -1.43 3.32 -1.84 0.16 116.42 121.65 3kop h ASP 22 Ca 0.63 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.51 3kop h ASP 22 Cb 0.40 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.97 3kop h ASP 22 CO 1.56 0.00 -0.66 0.44 -1.72 0.00 0.00 179.24 178.86 3kop h ASP 23 N 0.00 0.53 0.00 6.45 3.32 -1.97 -3.18 116.42 121.57 3kop h ASP 23 Ca 0.06 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 56.32 3kop h ASP 23 Cb 0.25 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3kop h ASP 23 CO -0.00 1.26 -0.89 1.33 -1.72 0.00 0.00 179.24 179.22 3kop n VAL 24 N -4.19 0.00 -3.06 -1.35 0.24 -1.17 -4.53 118.33 104.28 3kop n VAL 24 Ca -0.11 -0.13 -0.20 0.00 -2.04 0.00 0.00 64.34 61.86 3kop n VAL 24 Cb 0.71 0.91 -0.03 0.00 -1.47 0.00 0.00 33.84 33.96 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 -1.47 2.92 -0.30 2.33 0.00 0.56 -4.43 120.51 120.13 3kop n ALA 25 Ca 0.03 -3.76 -0.04 0.00 0.00 0.00 0.00 53.44 49.67 3kop n ALA 25 Cb 0.28 -0.86 0.11 0.00 0.00 0.00 0.00 19.45 18.97 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 2.98 1.19 -0.20 0.00 0.13 -1.66 0.16 132.00 134.61 3kop h PRO 26 Ca 0.10 -0.16 -0.17 0.00 -0.87 0.00 0.00 66.00 64.90 3kop h PRO 26 Cb 0.86 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.77 3kop h PRO 26 CO 0.60 0.90 -0.55 0.00 -0.23 0.00 0.00 178.00 178.71 3kop h ARG 27 N 1.19 0.73 -0.30 0.86 3.08 -1.93 -1.58 114.38 116.43 3kop h ARG 27 Ca 0.29 -0.51 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 3kop h ARG 27 Cb 0.08 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3kop h ARG 27 CO -0.04 1.14 -0.06 1.15 -1.07 0.00 0.00 179.97 181.08 3kop h THR 28 N 0.44 1.28 -0.33 2.04 2.02 -1.88 -1.36 112.91 115.12 3kop h THR 28 Ca -0.01 -1.09 0.04 0.00 0.77 0.00 0.00 66.41 66.12 3kop h THR 28 Cb 1.17 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.91 3kop h THR 28 CO 0.12 0.35 0.12 0.28 0.37 0.00 0.00 175.52 176.75 3kop h SER 29 N 0.35 0.13 -0.31 4.18 0.02 -0.95 -1.32 113.55 115.65 3kop h SER 29 Ca 0.08 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3kop h SER 29 Cb 0.54 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3kop h SER 29 CO 0.03 0.11 0.12 0.50 -1.14 0.00 0.00 176.83 176.45 3kop h LYS 30 N 0.26 0.46 -0.50 3.45 3.64 -1.27 0.53 116.57 123.14 3kop h LYS 30 Ca 0.15 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3kop h LYS 30 Cb 0.12 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 3kop h LYS 30 CO -0.15 0.47 0.21 0.00 -2.27 0.00 0.00 179.45 177.71 3kop h ALA 31 N 0.97 0.63 0.37 5.00 0.00 -0.96 -0.87 119.26 124.40 3kop h ALA 31 Ca 0.10 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kop h ALA 31 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kop h ALA 31 CO -0.01 -0.16 -0.18 0.28 0.00 0.00 0.00 179.25 179.19 3kop h VAL 32 N 0.42 0.40 -0.55 0.00 2.07 -1.11 -3.20 116.25 114.28 3kop h VAL 32 Ca 0.23 -0.69 0.11 0.00 0.82 0.00 0.00 66.70 67.17 3kop h VAL 32 Cb 0.20 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 30.50 3kop h VAL 32 CO -0.20 0.09 -0.06 -0.25 0.02 0.00 0.00 177.57 177.16 3kop h TRP 33 N -0.99 -0.15 -0.21 1.57 2.91 -0.80 -0.85 115.95 117.43 3kop h TRP 33 Ca -0.05 0.04 0.04 0.00 1.13 0.00 0.00 58.89 60.06 3kop h TRP 33 Cb 0.52 0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.31 3kop h TRP 33 CO 0.03 -0.18 0.15 -0.44 -1.03 0.00 0.00 178.44 176.96 3kop h ASP 34 N 0.06 0.08 0.20 2.65 3.32 -1.26 -2.72 116.42 118.76 3kop h ASP 34 Ca 0.28 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3kop h ASP 34 Cb 0.43 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3kop h ASP 34 CO -0.51 0.06 -0.50 0.00 -1.72 0.00 0.00 179.24 176.56 3kop n ALA 35 N -2.55 3.62 -1.77 3.45 0.00 -0.38 -4.98 120.51 117.90 3kop n ALA 35 Ca 0.01 -0.48 -0.37 0.00 0.00 0.00 0.00 53.44 52.61 3kop n ALA 35 Cb 0.22 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.71 3.90 0.49 0.00 1.43 -0.87 -4.36 118.68 116.55 3kop s LEU 36 Ca 0.17 2.34 -0.18 0.00 -1.03 0.00 0.00 54.13 55.42 3kop s LEU 36 Cb 0.18 -4.36 -0.09 0.00 0.03 0.00 0.00 46.19 41.95 3kop s LEU 36 CO 0.64 -1.13 0.98 -2.16 0.23 0.00 0.00 176.35 174.91 3kop s PRO 37 N -2.92 3.99 -0.09 1.29 0.04 -1.26 -4.90 135.00 131.16 3kop s PRO 37 Ca 0.68 1.05 0.02 0.00 0.04 0.00 0.00 61.00 62.80 3kop s PRO 37 Cb -0.29 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.12 3kop s PRO 37 CO 0.34 -0.23 -0.15 -0.65 0.04 0.00 0.00 177.00 176.34 3kop s GLN 38 N -3.71 2.13 -0.07 4.56 -1.52 -0.55 -4.99 119.66 115.51 3kop s GLN 38 Ca 0.61 -0.55 -0.04 0.00 -1.95 0.00 0.00 55.36 53.43 3kop s GLN 38 Cb -0.10 -1.74 0.03 0.00 -0.22 0.00 0.00 33.01 30.98 3kop s GLN 38 CO 0.25 0.02 0.16 0.45 -0.25 0.00 0.00 175.29 175.91 3kop s SER 39 N 0.74 -0.14 0.20 5.90 0.15 -1.26 -0.53 113.70 118.76 3kop s SER 39 Ca -0.12 0.32 -0.23 0.00 0.70 0.00 0.00 55.95 56.62 3kop s SER 39 Cb -0.16 0.24 0.05 0.00 -1.71 0.00 0.00 66.02 64.44 3kop s SER 39 CO 0.03 -0.13 0.82 -0.55 1.20 0.00 0.00 173.24 174.62 3kop s SER 40 N 0.90 -0.25 0.01 5.45 0.15 -0.96 -4.99 113.70 114.01 3kop s SER 40 Ca -0.07 -0.44 -0.39 0.00 0.70 0.00 0.00 55.95 55.75 3kop s SER 40 Cb -0.09 0.60 -0.20 0.00 -1.71 0.00 0.00 66.02 64.62 3kop s SER 40 CO -0.05 -1.09 1.04 1.67 1.20 0.00 0.00 173.24 176.02 3kop n GLN 41 N -0.45 0.02 -2.83 5.44 -0.06 -1.26 -0.71 117.38 117.53 3kop n GLN 41 Ca -0.06 0.01 -0.32 0.00 -2.00 0.00 0.00 57.00 54.63 3kop n GLN 41 Cb 0.60 -1.48 -0.05 0.00 -4.06 0.00 0.00 30.24 25.26 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 -0.05 4.64 0.02 1.69 0.11 -0.95 -4.37 120.40 121.48 3kop s VAL 42 Ca 0.89 0.98 0.01 0.00 -2.93 0.00 0.00 61.98 60.93 3kop s VAL 42 Cb -1.24 -3.67 -0.01 0.00 -1.53 0.00 0.00 36.38 29.92 3kop s VAL 42 CO 0.57 -0.43 -0.05 -0.36 -3.33 0.00 0.00 175.10 171.50 3kop s PHE 43 N -2.29 0.40 0.00 1.54 0.08 -0.17 -4.87 117.98 112.68 3kop s PHE 43 Ca 0.55 -0.28 -0.16 0.00 0.12 0.00 0.00 56.93 57.16 3kop s PHE 43 Cb -0.10 -0.26 -0.06 0.00 -0.57 0.00 0.00 43.02 42.04 3kop s PHE 43 CO 0.25 -0.06 0.45 -1.58 -0.10 0.00 0.00 175.22 174.18 3kop s HIS 44 N -0.73 3.72 0.52 0.36 5.65 -1.26 -0.83 115.29 122.71 3kop s HIS 44 Ca -0.05 1.05 -0.23 0.00 0.25 0.00 0.00 55.06 56.08 3kop s HIS 44 Cb -0.06 -2.37 -0.06 0.00 -1.18 0.00 0.00 32.58 28.92 3kop s HIS 44 CO -0.00 0.57 1.35 0.20 -0.65 0.00 0.00 174.74 176.22 3kop s GLY 45 N -0.88 2.89 -0.03 1.59 0.00 -0.26 -4.96 107.32 105.67 3kop s GLY 45 Ca 0.25 1.32 0.16 0.00 0.00 0.00 0.00 44.72 46.45 3kop s GLY 45 CO 0.14 1.85 0.33 0.28 0.00 0.00 0.00 173.10 175.71 3kop n LYS 46 N -0.79 0.51 -0.00 2.90 5.02 -1.26 -4.65 118.16 119.88 3kop n LYS 46 Ca 0.09 -0.14 -0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3kop n LYS 46 Cb 0.45 -1.37 -0.00 0.00 -0.02 0.00 0.00 35.03 34.08 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 -2.06 0.00 1.76 2.13 0.18 -1.26 -4.77 117.16 113.14 3kop n TYR 47 Ca -0.04 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.87 3kop n TYR 47 Cb 0.43 -0.02 0.66 0.00 -0.38 0.00 0.00 39.34 40.03 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 -2.22 2.62 -0.11 -3.48 0.00 -1.26 -4.65 120.51 111.41 3kop n ALA 48 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3kop n ALA 48 Cb 0.51 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.46 0.00 -2.04 0.00 0.63 -1.26 -4.24 116.66 109.29 3kop n ARG 49 Ca 0.19 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.70 3kop n ARG 49 Cb 0.19 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.10 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 8.33 5.68 -3.92 6.15 3.02 -1.26 -4.61 115.26 128.65 3kop n ASN 50 Ca 0.00 -3.01 -0.15 0.00 -0.03 0.00 0.00 54.58 51.39 3kop n ASN 50 Cb 0.00 -1.50 -0.15 0.00 -0.61 0.00 0.00 39.78 37.52 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 0.89 0.34 0.27 3.52 2.12 -1.26 -1.21 118.70 123.37 3kop s GLU 51 Ca 0.46 -0.12 0.11 0.00 0.36 0.00 0.00 54.97 55.79 3kop s GLU 51 Cb 0.13 -0.35 -0.05 0.00 0.26 0.00 0.00 34.13 34.12 3kop s GLU 51 CO -0.04 0.05 -0.18 0.96 -0.54 0.00 0.00 175.26 175.52 3kop s ILE 52 N 0.07 2.28 0.21 -3.70 -4.36 -0.37 -1.10 121.20 114.23 3kop s ILE 52 Ca -0.00 -2.34 -0.22 0.00 -0.26 0.00 0.00 60.65 57.82 3kop s ILE 52 Cb -0.03 -2.27 0.05 0.00 1.25 0.00 0.00 42.46 41.45 3kop s ILE 52 CO -0.00 -0.43 0.66 -0.72 0.24 0.00 0.00 174.94 174.69 3kop s TYR 53 N -2.63 -0.37 0.38 1.37 1.13 -0.01 -0.42 117.35 116.79 3kop s TYR 53 Ca 0.29 0.05 0.05 0.00 -1.41 0.00 0.00 57.07 56.04 3kop s TYR 53 Cb -0.03 0.63 -0.06 0.00 -1.10 0.00 0.00 41.96 41.39 3kop s TYR 53 CO 0.13 -1.02 0.04 0.54 -2.51 0.00 0.00 175.55 172.73 3kop s ASN 54 N -2.83 3.16 -0.09 -0.18 2.20 -0.37 -1.00 114.94 115.84 3kop s ASN 54 Ca 0.06 -1.42 0.01 0.00 -0.94 0.00 0.00 52.86 50.57 3kop s ASN 54 Cb -0.03 -0.12 0.02 0.00 -2.00 0.00 0.00 41.25 39.12 3kop s ASN 54 CO -0.04 -0.59 -0.10 -0.76 -2.94 0.00 0.00 177.10 172.68 3kop s LEU 55 N -3.62 1.42 0.12 3.54 1.43 -1.26 -1.76 118.68 118.55 3kop s LEU 55 Ca 0.32 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 3kop s LEU 55 Cb 0.08 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 3kop s LEU 55 CO 0.15 -0.05 -0.10 0.68 0.23 0.00 0.00 176.35 177.27 3kop s VAL 56 N 1.22 1.03 0.61 -1.59 -7.23 -0.06 -4.85 120.40 109.52 3kop s VAL 56 Ca -0.04 -1.83 -0.19 0.00 -1.81 0.00 0.00 61.98 58.11 3kop s VAL 56 Cb -0.14 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 3kop s VAL 56 CO -0.03 -0.65 1.28 -2.84 -0.31 0.00 0.00 175.10 172.55 3kop s PRO 57 N -3.24 2.83 0.30 4.82 0.02 -1.26 -0.91 135.00 137.55 3kop s PRO 57 Ca 0.10 2.02 -0.28 0.00 0.02 0.00 0.00 61.00 62.86 3kop s PRO 57 Cb -0.00 -1.97 -0.14 0.00 0.02 0.00 0.00 34.50 32.42 3kop s PRO 57 CO -0.00 -1.37 1.04 0.00 -0.33 0.00 0.00 177.00 176.34 3kop n ALA 58 N -1.60 -0.05 0.00 -1.55 0.00 -0.66 -4.61 120.51 112.05 3kop n ALA 58 Ca 0.14 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3kop n ALA 58 Cb 0.48 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 0.21 0.00 -2.58 0.00 1.16 -1.26 -5.04 117.46 109.95 3kop n PHE 59 Ca 0.09 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.34 3kop n PHE 59 Cb 0.33 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.15 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 -1.79 2.99 0.42 1.98 0.00 -1.26 -4.96 121.76 119.15 3kop s ALA 60 Ca 0.00 0.37 0.10 0.00 0.00 0.00 0.00 51.96 52.42 3kop s ALA 60 Cb 0.00 -3.16 0.93 0.00 0.00 0.00 0.00 23.12 20.89 3kop s ALA 60 CO 0.00 -0.14 2.04 -1.35 0.00 0.00 0.00 175.76 176.32 3kop h PRO 61 N 1.42 0.47 -3.20 0.00 0.11 -1.97 -3.42 132.00 125.41 3kop h PRO 61 Ca -0.48 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.46 3kop h PRO 61 Cb 1.19 -0.11 -0.23 0.00 0.11 0.00 0.00 31.00 31.97 3kop h PRO 61 CO 0.60 0.31 -0.40 -1.59 -0.21 0.00 0.00 178.00 176.72 3kop s LYS 62 N -5.44 0.45 0.49 1.05 -2.85 -1.26 -5.15 119.74 107.03 3kop s LYS 62 Ca -0.08 0.00 -0.23 0.00 -1.00 0.00 0.00 55.97 54.67 3kop s LYS 62 Cb 0.18 0.20 -0.06 0.00 -2.06 0.00 0.00 37.83 36.09 3kop s LYS 62 CO 0.73 -0.10 1.30 -1.21 0.10 0.00 0.00 175.35 176.18 3kop s GLU 63 N -0.67 3.48 0.50 1.78 0.41 -1.26 -4.92 118.70 118.01 3kop s GLU 63 Ca -0.08 2.11 0.31 0.00 -0.41 0.00 0.00 54.97 56.90 3kop s GLU 63 Cb -0.04 -2.40 1.14 0.00 -1.78 0.00 0.00 34.13 31.04 3kop s GLU 63 CO 0.02 -0.88 1.89 -1.00 -0.49 0.00 0.00 175.26 174.80 3kop h PRO 64 N 1.87 0.00 0.00 0.39 0.13 -1.99 -3.50 132.00 128.91 3kop h PRO 64 Ca -0.50 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.74 3kop h PRO 64 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 3kop h PRO 64 CO 0.59 0.00 -0.15 0.41 -0.23 0.00 0.00 178.00 178.62 3kop n GLY 65 N 0.25 -1.90 3.74 1.56 0.00 -1.26 -4.80 105.19 102.78 3kop n GLY 65 Ca 0.01 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.52 3.67 -0.28 4.61 0.00 -1.26 -4.98 121.76 122.00 3kop s ALA 66 Ca 0.00 1.35 -0.13 0.00 0.00 0.00 0.00 51.96 53.19 3kop s ALA 66 Cb 0.00 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 19.64 3kop s ALA 66 CO 0.00 -0.77 0.65 -2.00 0.00 0.00 0.00 175.76 173.64 3kop s GLU 67 N -0.02 0.62 -1.48 0.00 2.12 -1.26 -4.94 118.70 113.74 3kop s GLU 67 Ca 0.62 1.31 -0.07 0.00 0.36 0.00 0.00 54.97 57.19 3kop s GLU 67 Cb -0.43 0.49 0.05 0.00 0.26 0.00 0.00 34.13 34.51 3kop s GLU 67 CO 0.41 -0.18 0.68 -1.71 -0.54 0.00 0.00 175.26 173.92 3kop n ASN 68 N 4.90 -2.14 -4.83 -1.70 5.15 -1.26 -3.84 115.26 111.53 3kop n ASN 68 Ca -0.16 -0.91 -0.32 0.00 -0.60 0.00 0.00 54.58 52.59 3kop n ASN 68 Cb 0.54 -3.40 -0.01 0.00 -0.53 0.00 0.00 39.78 36.37 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 -3.61 4.33 0.03 -0.44 -4.23 -1.26 -1.73 115.64 108.74 3kop s THR 69 Ca 0.31 1.04 0.01 0.00 -1.18 0.00 0.00 61.69 61.86 3kop s THR 69 Cb -0.16 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 3kop s THR 69 CO 0.87 -0.72 -0.05 0.28 -0.54 0.00 0.00 174.62 174.46 3kop s THR 70 N -2.68 0.28 -0.63 3.99 -1.32 -0.18 -4.88 115.64 110.21 3kop s THR 70 Ca 0.60 -1.05 0.06 0.00 -1.21 0.00 0.00 61.69 60.08 3kop s THR 70 Cb -0.12 -0.50 0.12 0.00 -1.51 0.00 0.00 72.50 70.50 3kop s THR 70 CO 0.37 -0.50 0.96 1.33 -2.21 0.00 0.00 174.62 174.57 3kop n VAL 71 N 1.41 0.59 -3.14 5.08 0.24 -1.26 -1.34 118.33 119.91 3kop n VAL 71 Ca -0.23 -0.79 -0.24 0.00 -2.04 0.00 0.00 64.34 61.04 3kop n VAL 71 Cb 0.55 0.76 -0.05 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 0.18 1.49 -2.02 3.34 -2.24 -1.26 -1.47 114.28 112.30 3kop n THR 72 Ca 0.05 -5.01 -0.38 0.00 -2.27 0.00 0.00 64.05 56.44 3kop n THR 72 Cb 0.27 -1.30 0.01 0.00 -2.10 0.00 0.00 70.33 67.22 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 -2.66 3.55 0.32 -0.78 0.04 -1.26 -4.97 135.00 129.24 3kop s PRO 73 Ca 0.43 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.61 3kop s PRO 73 Cb 0.26 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 3kop s PRO 73 CO -0.09 -0.80 -0.05 0.96 0.04 0.00 0.00 177.00 177.06 3kop s ILE 74 N -1.39 2.65 0.18 0.56 -4.36 -1.26 -4.37 121.20 113.22 3kop s ILE 74 Ca 0.65 -2.08 -0.33 0.00 -0.26 0.00 0.00 60.65 58.63 3kop s ILE 74 Cb -0.35 -2.69 -0.15 0.00 1.25 0.00 0.00 42.46 40.52 3kop s ILE 74 CO 0.43 -0.26 1.38 -2.65 0.24 0.00 0.00 174.94 174.08 3kop n PRO 75 N -0.86 1.72 0.00 0.37 -0.02 -1.17 -1.65 135.00 133.39 3kop n PRO 75 Ca -0.05 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3kop n PRO 75 Cb 0.62 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.45 0.88 3.76 -1.23 0.00 0.84 -4.93 105.19 106.97 3kop n GLY 76 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.46 6.94 -0.15 1.61 1.01 -0.66 -0.56 116.67 122.40 3kop s ASP 77 Ca 0.00 2.53 0.02 0.00 0.71 0.00 0.00 52.55 55.81 3kop s ASP 77 Cb 0.00 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.30 3kop s ASP 77 CO 0.00 -0.42 -0.20 -0.69 0.21 0.00 0.00 175.17 174.07 3kop s VAL 78 N -0.99 2.17 0.18 -1.27 1.01 -0.26 -1.40 120.40 119.83 3kop s VAL 78 Ca 0.48 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.63 3kop s VAL 78 Cb -0.37 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3kop s VAL 78 CO 0.48 0.54 -0.23 0.00 0.00 0.00 0.00 175.10 175.89 3kop s TYR 80 N -1.68 2.16 -0.04 0.00 6.14 -0.27 -0.68 117.35 122.98 3kop s TYR 80 Ca 0.18 -0.90 0.05 0.00 0.64 0.00 0.00 57.07 57.04 3kop s TYR 80 Cb -0.08 -1.48 -0.01 0.00 0.42 0.00 0.00 41.96 40.81 3kop s TYR 80 CO 0.08 -0.40 -0.18 -0.06 0.64 0.00 0.00 175.55 175.63 3kop s PHE 81 N 0.55 1.77 -0.20 4.97 0.40 -0.40 -1.21 117.98 123.86 3kop s PHE 81 Ca -0.15 -0.46 -0.14 0.00 -0.60 0.00 0.00 56.93 55.57 3kop s PHE 81 Cb -0.17 -1.18 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 3kop s PHE 81 CO 0.05 -0.13 0.34 0.99 0.70 0.00 0.00 175.22 177.17 3kop s THR 82 N -0.11 5.25 0.29 0.64 2.01 -1.26 -1.44 115.64 121.01 3kop s THR 82 Ca -0.01 0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.60 3kop s THR 82 Cb -0.11 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 68.68 3kop s THR 82 CO 0.01 0.29 0.06 -0.36 -0.69 0.00 0.00 174.62 173.93 3kop s PHE 83 N 1.16 1.78 0.39 4.92 0.08 0.83 -4.99 117.98 122.14 3kop s PHE 83 Ca 0.16 -1.02 0.08 0.00 0.12 0.00 0.00 56.93 56.27 3kop s PHE 83 Cb -0.14 -1.11 -0.04 0.00 -0.57 0.00 0.00 43.02 41.15 3kop s PHE 83 CO 0.07 -0.10 0.22 0.95 -0.10 0.00 0.00 175.22 176.26 3kop s THR 84 N -3.45 2.70 0.34 0.64 -4.23 -1.26 -0.31 115.64 110.06 3kop s THR 84 Ca 0.36 -1.59 0.12 0.00 -1.18 0.00 0.00 61.69 59.40 3kop s THR 84 Cb 0.08 -3.00 0.37 0.00 1.34 0.00 0.00 72.50 71.29 3kop s THR 84 CO 0.14 -0.07 1.59 0.28 -0.54 0.00 0.00 174.62 176.02 3kop h SER 85 N 1.36 0.03 -0.35 3.99 0.02 -1.82 -1.67 113.55 115.11 3kop h SER 85 Ca -0.43 0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 3kop h SER 85 Cb 1.26 0.33 -0.02 0.00 0.14 0.00 0.00 62.40 64.11 3kop h SER 85 CO 0.64 -0.35 0.12 0.78 -1.14 0.00 0.00 176.83 176.87 3kop h ASN 86 N 0.05 0.57 -0.58 3.07 -0.26 -1.90 -0.48 115.58 116.05 3kop h ASN 86 Ca 0.72 -0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 56.36 3kop h ASN 86 Cb 1.73 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 38.82 3kop h ASN 86 CO -0.80 0.55 0.28 0.44 -1.06 0.00 0.00 177.43 176.85 3kop h ASP 87 N 0.61 0.76 0.00 5.81 3.32 -1.70 -3.38 116.42 121.84 3kop h ASP 87 Ca 0.14 -0.13 -0.36 0.00 0.02 0.00 0.00 57.03 56.70 3kop h ASP 87 Cb 0.20 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.49 3kop h ASP 87 CO -0.01 0.68 -2.38 0.18 -1.72 0.00 0.00 179.24 175.99 3kop n LEU 88 N -4.54 1.76 -4.03 1.55 4.77 -0.94 -4.59 117.00 110.98 3kop n LEU 88 Ca 0.03 -0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.51 3kop n LEU 88 Cb 0.12 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3kop n LEU 88 CO 0.38 0.74 2.24 0.29 -1.33 0.00 0.00 177.39 179.71 3kop n LYS 89 N -3.02 3.14 -4.25 3.23 5.02 -0.23 -4.76 118.16 117.30 3kop n LYS 89 Ca -0.39 -3.07 -0.16 0.00 -2.02 0.00 0.00 58.31 52.67 3kop n LYS 89 Cb 1.03 -3.24 -0.10 0.00 -0.02 0.00 0.00 35.03 32.70 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 2.71 1.25 0.13 -0.18 -4.23 -1.26 -4.89 115.64 109.17 3kop s THR 90 Ca 0.47 -1.94 -0.20 0.00 -1.18 0.00 0.00 61.69 58.83 3kop s THR 90 Cb 0.09 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 3kop s THR 90 CO -0.02 -0.62 1.68 -0.65 -0.54 0.00 0.00 174.62 174.47 3kop h PRO 91 N 3.04 -0.07 -1.19 3.99 0.11 -1.99 -2.18 132.00 133.71 3kop h PRO 91 Ca -0.38 0.01 0.35 0.00 0.11 0.00 0.00 66.00 66.08 3kop h PRO 91 Cb 1.20 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 3kop h PRO 91 CO 0.59 -0.05 1.10 0.66 -0.21 0.00 0.00 178.00 180.09 3kop h SER 92 N -0.08 0.00 0.07 -2.05 4.64 -1.97 -2.57 113.55 111.58 3kop h SER 92 Ca 0.11 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.05 3kop h SER 92 Cb 0.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.28 3kop h SER 92 CO -0.25 0.00 -2.28 1.41 -0.87 0.00 0.00 176.83 174.84 3kop n HIS 93 N -3.61 0.44 -3.57 4.77 8.25 -0.85 -5.02 115.22 115.63 3kop n HIS 93 Ca 0.26 0.10 -0.26 0.00 -0.26 0.00 0.00 57.72 57.56 3kop n HIS 93 Cb 1.47 -1.06 0.03 0.00 1.12 0.00 0.00 29.99 31.55 3kop n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kop n GLY 94 N 2.09 -0.51 0.00 -1.41 0.00 -0.97 -5.03 105.19 99.36 3kop n GLY 94 Ca -0.39 0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3kop n GLY 94 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kop n TYR 95 N -4.53 0.00 -2.88 1.61 4.01 -1.26 -5.16 117.16 108.96 3kop n TYR 95 Ca -0.01 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.30 3kop n TYR 95 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 3kop n TYR 95 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3kop n VAL 104 N 0.00 4.49 -4.40 -0.72 0.24 -1.26 -5.18 118.33 111.50 3kop n VAL 104 Ca 0.00 -4.94 -0.24 0.00 -2.04 0.00 0.00 64.34 57.12 3kop n VAL 104 Cb 0.00 -2.41 -0.11 0.00 -1.47 0.00 0.00 33.84 29.85 3kop n VAL 104 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kop s GLN 105 N 0.09 1.46 -0.06 7.34 -2.07 -1.26 -4.96 119.66 120.19 3kop s GLN 105 Ca 0.38 -1.54 -0.20 0.00 -1.82 0.00 0.00 55.36 52.17 3kop s GLN 105 Cb -0.00 -1.60 -0.04 0.00 -1.09 0.00 0.00 33.01 30.27 3kop s GLN 105 CO 0.00 0.33 0.58 0.99 -1.32 0.00 0.00 175.29 175.86 3kop s THR 106 N -2.08 5.05 -0.01 3.63 2.01 -1.26 -2.21 115.64 120.78 3kop s THR 106 Ca 0.21 1.18 0.07 0.00 0.31 0.00 0.00 61.69 63.46 3kop s THR 106 Cb -0.06 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 3kop s THR 106 CO 0.10 0.34 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.52 3kop s ILE 107 N 0.35 1.78 -0.13 1.82 1.01 0.58 -1.66 121.20 124.95 3kop s ILE 107 Ca 0.31 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 3kop s ILE 107 Cb -0.17 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 3kop s ILE 107 CO 0.15 0.45 -0.06 -0.69 0.00 0.00 0.00 174.94 174.79 3kop s VAL 108 N -0.58 3.68 -0.29 2.92 1.01 -0.09 -0.12 120.40 126.93 3kop s VAL 108 Ca 0.09 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 3kop s VAL 108 Cb -0.09 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3kop s VAL 108 CO -0.00 0.52 0.18 -0.62 0.00 0.00 0.00 175.10 175.18 3kop s ASP 109 N 0.10 5.85 -0.24 3.32 -1.08 -0.52 -0.89 116.67 123.21 3kop s ASP 109 Ca -0.02 -0.19 -0.07 0.00 -0.52 0.00 0.00 52.55 51.75 3kop s ASP 109 Cb -0.14 -2.08 -0.03 0.00 -1.46 0.00 0.00 42.92 39.21 3kop s ASP 109 CO 0.03 -0.11 0.05 -0.76 0.52 0.00 0.00 175.17 174.91 3kop s LEU 110 N 1.71 3.41 -0.02 -1.34 1.43 -0.72 -1.28 118.68 121.88 3kop s LEU 110 Ca 0.06 -0.20 0.06 0.00 -1.03 0.00 0.00 54.13 53.02 3kop s LEU 110 Cb -0.16 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3kop s LEU 110 CO 0.09 -0.01 -0.19 0.00 0.23 0.00 0.00 176.35 176.48 3kop s ALA 111 N 1.45 1.56 -0.13 4.21 0.00 0.14 -1.23 121.76 127.75 3kop s ALA 111 Ca 0.05 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3kop s ALA 111 Cb -0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3kop s ALA 111 CO 0.03 0.38 -0.16 0.08 0.00 0.00 0.00 175.76 176.09 3kop s VAL 112 N -0.42 2.74 -0.29 0.00 1.01 0.44 -0.51 120.40 123.37 3kop s VAL 112 Ca 0.07 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 3kop s VAL 112 Cb -0.07 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3kop s VAL 112 CO -0.01 0.53 0.15 -0.36 0.00 0.00 0.00 175.10 175.41 3kop s PHE 113 N 0.52 3.17 -0.81 5.22 0.08 -0.49 -1.24 117.98 124.44 3kop s PHE 113 Ca -0.10 -0.25 0.15 0.00 0.12 0.00 0.00 56.93 56.85 3kop s PHE 113 Cb -0.16 -2.34 -0.15 0.00 -0.57 0.00 0.00 43.02 39.80 3kop s PHE 113 CO 0.04 -0.31 0.67 2.48 -0.10 0.00 0.00 175.22 178.00 3kop n TYR 114 N 5.01 0.00 -4.03 0.36 0.18 -0.35 -0.11 117.16 118.21 3kop n TYR 114 Ca -0.14 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.57 3kop n TYR 114 Cb 0.51 0.00 -0.02 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 1.34 3.45 3.66 -7.48 0.00 -1.23 -4.76 105.19 100.17 3kop n GLY 115 Ca 0.03 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.23 0.73 -3.42 1.61 1.85 -1.26 -3.03 116.66 112.92 3kop n ARG 116 Ca 0.02 -3.45 -0.17 0.00 -1.00 0.00 0.00 57.85 53.26 3kop n ARG 116 Cb 0.22 0.57 0.09 0.00 -1.05 0.00 0.00 32.46 32.28 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 -1.65 -2.49 -4.62 2.89 4.13 -1.26 -4.77 115.26 107.50 3kop n ASN 117 Ca -0.08 -0.64 -0.32 0.00 1.68 0.00 0.00 54.58 55.22 3kop n ASN 117 Cb 0.62 -5.11 -0.10 0.00 -1.54 0.00 0.00 39.78 33.65 3kop n ASN 117 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3kop s ASN 118 N -4.26 4.73 -0.10 6.41 0.01 -1.26 -4.91 114.94 115.56 3kop s ASN 118 Ca 0.05 -0.13 0.01 0.00 -0.71 0.00 0.00 52.86 52.07 3kop s ASN 118 Cb -0.01 -1.12 0.02 0.00 0.41 0.00 0.00 41.25 40.55 3kop s ASN 118 CO 0.73 0.27 -0.12 -0.76 -1.51 0.00 0.00 177.10 175.72 3kop s LEU 119 N -1.53 1.51 -1.27 0.60 1.43 -1.26 -4.24 118.68 113.92 3kop s LEU 119 Ca 0.18 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 3kop s LEU 119 Cb -0.11 -0.92 0.13 0.00 0.03 0.00 0.00 46.19 45.32 3kop s LEU 119 CO 0.09 -0.03 1.64 0.18 0.23 0.00 0.00 176.35 178.46 3kop n LEU 120 N 4.34 5.37 -3.71 1.79 4.77 -0.54 -4.21 117.00 124.80 3kop n LEU 120 Ca -0.18 -4.27 -0.11 0.00 -0.03 0.00 0.00 56.01 51.41 3kop n LEU 120 Cb 0.51 -1.65 -0.12 0.00 -2.33 0.00 0.00 43.42 39.82 3kop n LEU 120 CO 0.22 0.61 -0.04 -0.22 -1.33 0.00 0.00 177.39 176.63 3kop s LEU 121 N 2.37 0.15 0.21 2.23 2.96 -1.26 -0.97 118.68 124.37 3kop s LEU 121 Ca 0.47 0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 55.07 3kop s LEU 121 Cb 0.02 1.02 -0.04 0.00 0.50 0.00 0.00 46.19 47.69 3kop s LEU 121 CO 0.02 -0.18 0.12 0.54 -1.32 0.00 0.00 176.35 175.53 3kop s ASN 122 N 1.37 0.36 0.00 3.68 2.20 0.26 -4.78 114.94 118.04 3kop s ASN 122 Ca -0.09 -1.38 0.29 0.00 -0.94 0.00 0.00 52.86 50.74 3kop s ASN 122 Cb -0.10 0.33 1.47 0.00 -2.00 0.00 0.00 41.25 40.96 3kop s ASN 122 CO -0.11 -0.81 1.98 0.61 -2.94 0.00 0.00 177.10 175.83 3kop n GLY 123 N -0.30 -0.58 0.08 0.45 0.00 -1.26 -1.02 105.19 102.56 3kop n GLY 123 Ca 0.01 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 0.94 0.06 0.00 1.61 3.32 -2.00 -3.44 116.42 116.91 3kop h ASP 124 Ca 0.00 -0.94 0.00 0.00 0.02 0.00 0.00 57.03 56.11 3kop h ASP 124 Cb 0.20 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3kop h ASP 124 CO 0.00 1.11 0.00 0.35 -1.72 0.00 0.00 179.24 178.98 3kop n THR 125 N -4.52 0.00 0.00 0.35 -2.24 -1.25 -5.14 114.28 101.48 3kop n THR 125 Ca -0.13 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3kop n THR 125 Cb 0.55 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 3kop n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kop n GLY 126 N 0.15 0.92 3.75 3.38 0.00 -0.19 -4.96 105.19 108.23 3kop n GLY 126 Ca 0.00 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 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 3.31 -0.55 1.61 0.52 -1.26 -0.58 118.94 121.99 3kop s TRP 127 Ca 0.00 1.42 0.04 0.00 0.02 0.00 0.00 56.10 57.58 3kop s TRP 127 Cb 0.00 -3.52 0.16 0.00 -1.15 0.00 0.00 33.47 28.96 3kop s TRP 127 CO 0.00 -1.44 0.37 0.54 0.02 0.00 0.00 176.95 176.44 3kop s VAL 128 N -0.54 1.86 0.39 4.03 0.11 -0.14 -4.93 120.40 121.18 3kop s VAL 128 Ca 0.51 -3.36 -0.27 0.00 -2.93 0.00 0.00 61.98 55.92 3kop s VAL 128 Cb -0.36 -2.25 -0.10 0.00 -1.53 0.00 0.00 36.38 32.14 3kop s VAL 128 CO 0.42 -1.02 1.41 -2.84 -3.33 0.00 0.00 175.10 169.75 3kop s PRO 129 N -0.53 4.04 0.03 1.54 0.02 -1.26 -4.79 135.00 134.04 3kop s PRO 129 Ca 0.24 2.41 0.04 0.00 0.02 0.00 0.00 61.00 63.71 3kop s PRO 129 Cb -0.09 -2.89 -0.04 0.00 0.02 0.00 0.00 34.50 31.51 3kop s PRO 129 CO -0.12 -0.53 -0.05 0.20 -0.33 0.00 0.00 177.00 176.17 3kop s GLY 130 N -0.38 1.80 -0.28 0.52 0.00 -0.45 -4.90 107.32 103.64 3kop s GLY 130 Ca 0.54 -1.05 -0.29 0.00 0.00 0.00 0.00 44.72 43.93 3kop s GLY 130 CO 0.58 -0.94 1.10 -1.31 0.00 0.00 0.00 173.10 172.52 3kop s ASN 131 N -1.65 6.96 -0.46 1.64 -0.87 -0.35 -1.01 114.94 119.21 3kop s ASN 131 Ca 0.19 1.21 -0.25 0.00 -1.57 0.00 0.00 52.86 52.44 3kop s ASN 131 Cb -0.11 -2.54 0.03 0.00 -0.02 0.00 0.00 41.25 38.60 3kop s ASN 131 CO 0.10 -0.83 0.91 -0.69 -2.57 0.00 0.00 177.10 174.03 3kop s VAL 132 N 3.56 4.50 -0.08 1.60 1.01 -0.70 -1.11 120.40 129.17 3kop s VAL 132 Ca 0.47 0.72 0.01 0.00 0.00 0.00 0.00 61.98 63.18 3kop s VAL 132 Cb -0.14 -4.42 -0.00 0.00 0.00 0.00 0.00 36.38 31.82 3kop s VAL 132 CO 0.13 -0.81 0.22 2.22 0.00 0.00 0.00 175.10 176.86 3kop n PHE 133 N 7.10 0.00 -3.67 5.22 -1.74 -0.37 -4.72 117.46 119.29 3kop n PHE 133 Ca 0.06 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.83 3kop n PHE 133 Cb 0.48 0.00 -0.06 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 -0.74 -0.93 -0.11 1.98 0.00 -1.17 -0.64 121.76 120.15 3kop s ALA 134 Ca 0.01 0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.10 3kop s ALA 134 Cb 0.01 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.62 3kop s ALA 134 CO 0.03 -0.52 -0.08 0.99 0.00 0.00 0.00 175.76 176.18 3kop s THR 135 N -2.99 1.04 0.03 0.00 2.01 -0.54 -1.10 115.64 114.09 3kop s THR 135 Ca -0.02 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 3kop s THR 135 Cb 0.00 -1.04 -0.07 0.00 0.01 0.00 0.00 72.50 71.40 3kop s THR 135 CO -0.06 0.37 1.49 -0.63 -0.69 0.00 0.00 174.62 175.10 3kop s ILE 136 N 1.60 3.44 -0.20 1.82 1.01 0.28 -0.83 121.20 128.31 3kop s ILE 136 Ca 0.03 0.86 0.06 0.00 0.00 0.00 0.00 60.65 61.60 3kop s ILE 136 Cb -0.13 -3.56 -0.07 0.00 0.01 0.00 0.00 42.46 38.72 3kop s ILE 136 CO -0.07 0.00 0.22 1.33 0.00 0.00 0.00 174.94 176.42 3kop n VAL 137 N 4.65 0.00 -3.75 2.92 0.24 0.14 -4.88 118.33 117.65 3kop n VAL 137 Ca 0.14 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 3kop n VAL 137 Cb 0.42 0.84 -0.11 0.00 -1.47 0.00 0.00 33.84 33.52 3kop n VAL 137 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3kop s GLU 138 N -1.77 0.35 -0.21 7.34 2.12 -1.05 -4.91 118.70 120.58 3kop s GLU 138 Ca 0.01 0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.86 3kop s GLU 138 Cb 0.04 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.53 3kop s GLU 138 CO 0.24 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.29 3kop n GLY 139 N 3.34 0.50 0.21 -1.50 0.00 -1.26 -1.31 105.19 105.17 3kop n GLY 139 Ca -0.17 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 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 0.60 -0.45 0.99 5.85 -1.91 -3.08 115.31 117.32 3kop h LEU 140 Ca -0.04 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3kop h LEU 140 Cb 0.23 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3kop h LEU 140 CO 0.06 0.58 0.21 0.44 -0.34 0.00 0.00 178.44 179.39 3kop h ASP 141 N 0.58 0.28 0.00 1.25 3.32 -1.96 0.17 116.42 120.06 3kop h ASP 141 Ca 0.15 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3kop h ASP 141 Cb 0.15 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3kop h ASP 141 CO -0.02 0.20 0.00 -0.62 -1.72 0.00 0.00 179.24 177.08 3kop n GLU 142 N -4.93 0.27 0.00 3.56 4.71 -1.16 -1.55 120.64 121.54 3kop n GLU 142 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 3kop n GLU 142 Cb 0.13 -1.25 0.00 0.00 -1.01 0.00 0.00 31.44 29.32 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 0.60 0.00 -0.22 0.62 0.00 0.61 -1.57 120.51 120.56 3kop n ALA 144 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3kop n ALA 144 Cb 0.10 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.58 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 0.79 -0.51 0.00 0.00 -1.53 -1.32 119.26 116.69 3kop h ALA 145 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3kop h ALA 145 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3kop h ALA 145 CO 0.00 0.43 0.07 0.00 0.00 0.00 0.00 179.25 179.75 3kop h ALA 146 N 1.08 1.16 -0.42 0.00 0.00 -1.57 -1.85 119.26 117.66 3kop h ALA 146 Ca 0.20 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3kop h ALA 146 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kop h ALA 146 CO -0.01 0.56 -0.19 0.00 0.00 0.00 0.00 179.25 179.61 3kop h GLN 148 N 0.72 0.69 0.00 0.00 1.08 -1.01 -0.52 115.11 116.06 3kop h GLN 148 Ca 0.11 -0.13 -0.11 0.00 -1.45 0.00 0.00 58.65 57.07 3kop h GLN 148 Cb 0.70 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 3kop h GLN 148 CO 0.05 0.63 -0.52 0.22 -0.95 0.00 0.00 178.83 178.26 3kop h ASP 149 N 0.67 0.00 -0.48 1.46 3.58 -0.74 -2.67 116.42 118.23 3kop h ASP 149 Ca 0.15 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.48 3kop h ASP 149 Cb 0.26 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 3kop h ASP 149 CO -0.00 0.52 -0.15 0.40 -2.88 0.00 0.00 179.24 177.13 3kop h ILE 150 N 0.00 1.27 0.00 2.25 2.04 -0.15 0.54 117.51 123.46 3kop h ILE 150 Ca -0.01 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.56 3kop h ILE 150 Cb 0.96 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3kop h ILE 150 CO 0.07 0.45 0.00 1.87 0.00 0.00 0.00 178.15 180.54 3kop n TRP 151 N -4.13 0.00 0.00 1.37 -0.00 -0.28 -0.85 117.44 113.54 3kop n TRP 151 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.51 3kop n TRP 151 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.73 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 -0.77 0.00 0.00 5.87 0.00 0.19 -5.03 105.19 105.45 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 0.80 0.47 -0.02 0.00 -0.03 -4.82 105.19 101.58 3kop n GLY 154 Ca 0.00 -1.90 0.05 0.00 0.00 0.00 0.00 46.02 44.16 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 1.21 2.31 -1.69 4.61 0.00 -1.26 -4.43 120.51 121.26 3kop n ALA 155 Ca 0.00 -0.85 -0.44 0.00 0.00 0.00 0.00 53.44 52.14 3kop n ALA 155 Cb 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 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 0.45 2.41 -1.43 0.00 5.12 -1.26 -1.35 116.66 120.60 3kop n ARG 156 Ca 0.08 0.87 -0.15 0.00 -1.93 0.00 0.00 57.85 56.71 3kop n ARG 156 Cb 0.32 -2.66 -0.06 0.00 -1.16 0.00 0.00 32.46 28.90 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 3.48 -5.50 -4.79 0.55 8.00 -1.26 -4.96 116.55 112.07 3kop n ASP 157 Ca 0.16 0.37 -0.36 0.00 0.71 0.00 0.00 54.79 55.67 3kop n ASP 157 Cb 0.32 -4.40 -0.08 0.00 -0.02 0.00 0.00 41.12 36.94 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 -3.26 3.44 -0.04 -1.24 2.56 -0.45 -4.60 118.70 115.11 3kop s GLU 158 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 54.97 54.77 3kop s GLU 158 Cb 0.00 -3.10 -0.00 0.00 2.00 0.00 0.00 34.13 33.02 3kop s GLU 158 CO 0.00 0.66 -0.16 0.99 -0.56 0.00 0.00 175.26 176.19 3kop s THR 159 N -0.72 1.37 -0.25 -1.70 2.01 -1.26 -2.23 115.64 112.86 3kop s THR 159 Ca 0.13 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 3kop s THR 159 Cb -0.12 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 3kop s THR 159 CO 0.03 0.40 0.13 -0.22 -0.69 0.00 0.00 174.62 174.26 3kop s LEU 160 N 0.03 3.86 -0.10 4.42 2.96 0.11 -1.58 118.68 128.38 3kop s LEU 160 Ca -0.03 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3kop s LEU 160 Cb -0.11 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.55 3kop s LEU 160 CO 0.02 0.02 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.01 3kop s THR 161 N 1.31 1.57 -0.19 3.68 2.01 0.48 -2.25 115.64 122.24 3kop s THR 161 Ca 0.06 -0.70 -0.09 0.00 0.31 0.00 0.00 61.69 61.27 3kop s THR 161 Cb -0.15 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 3kop s THR 161 CO 0.06 0.45 0.10 -0.36 -0.69 0.00 0.00 174.62 174.18 3kop s PHE 162 N 0.83 3.35 0.05 4.92 0.40 0.31 -0.51 117.98 127.33 3kop s PHE 162 Ca -0.10 0.23 -0.06 0.00 -0.60 0.00 0.00 56.93 56.41 3kop s PHE 162 Cb -0.16 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 3kop s PHE 162 CO 0.01 0.24 0.10 -1.54 0.70 0.00 0.00 175.22 174.73 3kop s SER 163 N 0.33 0.20 0.18 1.36 1.04 -0.14 -1.48 113.70 115.21 3kop s SER 163 Ca 0.06 -0.61 -0.30 0.00 0.48 0.00 0.00 55.95 55.58 3kop s SER 163 Cb -0.12 0.25 -0.09 0.00 0.10 0.00 0.00 66.02 66.16 3kop s SER 163 CO -0.01 -0.56 1.35 -0.13 0.98 0.00 0.00 173.24 174.87 3kop s ARG 164 N -3.00 4.35 -0.07 4.02 0.52 -1.26 -0.08 118.95 123.43 3kop s ARG 164 Ca -0.02 2.09 -0.21 0.00 -0.52 0.00 0.00 55.73 57.08 3kop s ARG 164 Cb 0.01 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 3kop s ARG 164 CO -0.06 -0.32 0.59 0.00 0.02 0.00 0.00 175.30 175.52 3kop s ALA 165 N 0.37 3.43 -2.00 2.13 0.00 -0.56 -4.63 121.76 120.49 3kop s ALA 165 Ca 0.59 -0.02 0.25 0.00 0.00 0.00 0.00 51.96 52.78 3kop s ALA 165 Cb -0.37 -2.78 1.47 0.00 0.00 0.00 0.00 23.12 21.44 3kop s ALA 165 CO 0.37 0.02 1.83 0.39 0.00 0.00 0.00 175.76 178.36