#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kop s ALA 2 N 0.00 3.72 0.03 4.61 0.00 -1.26 -5.11 121.76 123.75 3kop s ALA 2 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.65 3kop s ALA 2 Cb 0.00 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 3kop s ALA 2 CO 0.00 0.44 -0.11 1.03 0.00 0.00 0.00 175.76 177.12 3kop s ARG 3 N -0.78 2.33 0.06 0.00 0.52 -1.26 -5.07 118.95 114.75 3kop s ARG 3 Ca 0.20 -0.85 0.07 0.00 -0.52 0.00 0.00 55.73 54.64 3kop s ARG 3 Cb -0.15 -2.36 -0.03 0.00 0.52 0.00 0.00 34.95 32.93 3kop s ARG 3 CO 0.09 0.57 -0.20 0.71 0.02 0.00 0.00 175.30 176.49 3kop s TYR 4 N -0.99 1.75 0.09 -0.53 2.02 -1.26 -0.84 117.35 117.59 3kop s TYR 4 Ca 0.17 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.56 3kop s TYR 4 Cb -0.11 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 3kop s TYR 4 CO 0.07 0.13 -0.19 0.96 -1.57 0.00 0.00 175.55 174.95 3kop s ILE 5 N -0.94 2.74 -0.05 2.71 -4.36 0.38 -1.56 121.20 120.13 3kop s ILE 5 Ca 0.07 -1.40 -0.09 0.00 -0.26 0.00 0.00 60.65 58.97 3kop s ILE 5 Cb -0.09 -2.21 -0.05 0.00 1.25 0.00 0.00 42.46 41.36 3kop s ILE 5 CO 0.03 0.20 0.25 0.20 0.24 0.00 0.00 174.94 175.86 3kop s ASN 6 N -1.83 6.53 -0.13 4.36 0.01 0.17 -0.40 114.94 123.66 3kop s ASN 6 Ca 0.16 0.63 0.01 0.00 -0.71 0.00 0.00 52.86 52.95 3kop s ASN 6 Cb -0.10 -2.12 0.02 0.00 0.41 0.00 0.00 41.25 39.45 3kop s ASN 6 CO 0.08 0.34 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.23 3kop s ILE 7 N -1.12 1.53 -0.02 0.60 1.01 0.26 -1.38 121.20 122.08 3kop s ILE 7 Ca 0.21 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.25 3kop s ILE 7 Cb -0.14 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.92 3kop s ILE 7 CO 0.10 0.45 -0.06 -0.89 0.00 0.00 0.00 174.94 174.54 3kop s THR 8 N 1.28 0.58 -0.36 2.92 2.01 0.01 -0.94 115.64 121.13 3kop s THR 8 Ca -0.00 -0.24 -0.17 0.00 0.31 0.00 0.00 61.69 61.59 3kop s THR 8 Cb -0.14 -0.53 -0.00 0.00 0.01 0.00 0.00 72.50 71.84 3kop s THR 8 CO -0.07 0.20 0.47 -0.76 -0.69 0.00 0.00 174.62 173.77 3kop s LEU 9 N 0.31 4.44 0.13 4.42 1.43 0.03 0.19 118.68 129.63 3kop s LEU 9 Ca -0.04 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 3kop s LEU 9 Cb -0.08 -2.51 -0.09 0.00 0.03 0.00 0.00 46.19 43.55 3kop s LEU 9 CO 0.00 -0.47 1.37 -0.33 0.23 0.00 0.00 176.35 177.15 3kop h GLU 10 N 8.52 0.76 0.08 1.70 4.39 -1.66 0.56 114.58 128.93 3kop h GLU 10 Ca -0.28 -0.56 -0.00 0.00 0.34 0.00 0.00 59.36 58.85 3kop h GLU 10 Cb 1.13 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3kop h GLU 10 CO 0.76 1.18 -0.04 -0.22 -1.16 0.00 0.00 179.01 179.54 3kop h LYS 11 N 0.54 -0.10 0.00 2.33 3.64 -1.81 -3.20 116.57 117.97 3kop h LYS 11 Ca -0.02 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3kop h LYS 11 Cb 1.29 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3kop h LYS 11 CO 0.14 0.44 -0.02 0.00 -2.27 0.00 0.00 179.45 177.74 3kop h ARG 12 N -0.75 0.00 -2.94 1.90 3.08 -1.94 -3.47 114.38 110.26 3kop h ARG 12 Ca -0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 3kop h ARG 12 Cb 0.59 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.69 3kop h ARG 12 CO 0.02 0.02 -0.27 0.41 -1.07 0.00 0.00 179.97 179.08 3kop n GLY 13 N -0.20 0.36 3.19 0.04 0.00 0.15 -5.04 105.19 103.69 3kop n GLY 13 Ca -0.00 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.13 2.13 0.00 1.61 1.01 -0.98 -4.99 120.40 116.06 3kop s VAL 14 Ca 0.23 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.31 3kop s VAL 14 Cb -0.10 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3kop s VAL 14 CO 0.29 0.55 -0.18 -0.89 0.00 0.00 0.00 175.10 174.87 3kop s THR 15 N 0.73 1.45 0.30 3.92 2.01 -1.26 -0.79 115.64 122.01 3kop s THR 15 Ca -0.09 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.07 3kop s THR 15 Cb -0.16 -1.23 -0.06 0.00 0.01 0.00 0.00 72.50 71.06 3kop s THR 15 CO 0.00 0.33 0.03 0.00 -0.69 0.00 0.00 174.62 174.29 3kop s LYS 17 N -3.87 1.92 0.00 0.00 2.20 -0.67 -0.57 119.74 118.75 3kop s LYS 17 Ca 0.34 -0.77 0.06 0.00 -0.36 0.00 0.00 55.97 55.24 3kop s LYS 17 Cb 0.08 -1.77 -0.02 0.00 -1.51 0.00 0.00 37.83 34.61 3kop s LYS 17 CO 0.14 0.42 -0.18 0.00 -0.36 0.00 0.00 175.35 175.36 3kop s ALA 18 N -0.35 1.53 -0.04 3.13 0.00 0.46 -0.30 121.76 126.19 3kop s ALA 18 Ca 0.04 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 3kop s ALA 18 Cb -0.10 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3kop s ALA 18 CO 0.00 0.36 1.19 -1.17 0.00 0.00 0.00 175.76 176.14 3kop s LEU 19 N -0.64 4.29 0.02 0.00 2.96 0.12 -0.47 118.68 124.97 3kop s LEU 19 Ca 0.07 1.83 -0.30 0.00 -0.22 0.00 0.00 54.13 55.50 3kop s LEU 19 Cb -0.07 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 3kop s LEU 19 CO -0.00 -0.55 1.05 -0.22 -1.32 0.00 0.00 176.35 175.31 3kop s LEU 20 N 2.01 4.37 -1.32 -0.68 2.96 -0.02 -1.38 118.68 124.62 3kop s LEU 20 Ca 0.56 1.78 -0.10 0.00 -0.22 0.00 0.00 54.13 56.15 3kop s LEU 20 Cb -0.25 -3.57 0.14 0.00 0.50 0.00 0.00 46.19 43.01 3kop s LEU 20 CO 0.23 -0.33 2.00 0.18 -1.32 0.00 0.00 176.35 177.11 3kop n LEU 21 N 3.92 6.88 0.25 -0.68 4.77 0.15 -4.66 117.00 127.63 3kop n LEU 21 Ca 0.07 -4.59 0.11 0.00 -0.03 0.00 0.00 56.01 51.57 3kop n LEU 21 Cb 0.49 -1.49 0.66 0.00 -2.33 0.00 0.00 43.42 40.76 3kop n LEU 21 CO 0.53 1.43 0.95 0.44 -1.33 0.00 0.00 177.39 179.41 3kop h ASP 22 N 5.64 0.00 0.01 -1.43 3.32 -1.84 0.14 116.42 122.26 3kop h ASP 22 Ca 0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.48 3kop h ASP 22 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3kop h ASP 22 CO 1.66 0.15 -0.12 -2.24 -1.72 0.00 0.00 179.24 176.96 3kop h ASP 23 N 0.00 0.09 0.00 6.45 2.03 -1.97 -3.24 116.42 119.79 3kop h ASP 23 Ca -0.00 -0.86 0.00 0.00 -0.73 0.00 0.00 57.03 55.44 3kop h ASP 23 Cb 0.36 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 3kop h ASP 23 CO 0.02 0.94 -1.21 1.33 -1.03 0.00 0.00 179.24 179.29 3kop n VAL 24 N -4.59 0.00 -3.10 4.15 0.24 -1.18 -4.53 118.33 109.32 3kop n VAL 24 Ca -0.10 -0.20 -0.22 0.00 -2.04 0.00 0.00 64.34 61.79 3kop n VAL 24 Cb 0.47 0.67 -0.04 0.00 -1.47 0.00 0.00 33.84 33.48 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 -1.68 3.01 -0.10 2.33 0.00 0.48 -4.39 120.51 120.16 3kop n ALA 25 Ca 0.01 -3.89 -0.07 0.00 0.00 0.00 0.00 53.44 49.49 3kop n ALA 25 Cb 0.36 -0.85 0.11 0.00 0.00 0.00 0.00 19.45 19.06 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 3.03 0.80 -0.27 0.00 0.13 -1.67 0.88 132.00 134.91 3kop h PRO 26 Ca 0.11 -0.28 -0.14 0.00 -0.87 0.00 0.00 66.00 64.82 3kop h PRO 26 Cb 0.79 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 3kop h PRO 26 CO 0.62 0.90 -0.37 0.00 -0.23 0.00 0.00 178.00 178.92 3kop h ARG 27 N 0.72 0.73 -0.16 0.86 3.08 -1.93 -0.43 114.38 117.25 3kop h ARG 27 Ca 0.12 -0.42 -0.15 0.00 0.07 0.00 0.00 59.98 59.60 3kop h ARG 27 Cb 0.63 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3kop h ARG 27 CO 0.04 1.04 -0.46 1.15 -1.07 0.00 0.00 179.97 180.67 3kop h THR 28 N 0.47 1.34 -0.40 2.04 2.02 -1.90 -0.56 112.91 115.92 3kop h THR 28 Ca 0.03 -1.72 0.06 0.00 0.77 0.00 0.00 66.41 65.55 3kop h THR 28 Cb 0.95 1.98 -0.05 0.00 -1.74 0.00 0.00 68.15 69.30 3kop h THR 28 CO 0.09 0.53 0.08 0.28 0.37 0.00 0.00 175.52 176.87 3kop h SER 29 N 0.26 0.02 -0.31 4.18 0.02 -0.84 -2.00 113.55 114.88 3kop h SER 29 Ca -0.01 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3kop h SER 29 Cb 1.08 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 3kop h SER 29 CO 0.10 0.04 0.13 0.50 -1.14 0.00 0.00 176.83 176.47 3kop h LYS 30 N 0.21 0.46 -0.63 3.45 3.64 -1.00 -0.94 116.57 121.76 3kop h LYS 30 Ca 0.19 -0.08 0.10 0.00 -1.27 0.00 0.00 60.65 59.59 3kop h LYS 30 Cb 0.23 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 3kop h LYS 30 CO -0.25 0.46 0.24 0.00 -2.27 0.00 0.00 179.45 177.63 3kop h ALA 31 N 0.98 0.82 0.05 5.00 0.00 -0.87 -1.61 119.26 123.63 3kop h ALA 31 Ca 0.11 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kop h ALA 31 Cb 0.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kop h ALA 31 CO -0.01 -0.19 -0.03 0.28 0.00 0.00 0.00 179.25 179.31 3kop h VAL 32 N 0.42 1.26 -0.52 0.00 2.07 -1.32 -3.22 116.25 114.94 3kop h VAL 32 Ca 0.32 -1.54 0.11 0.00 0.82 0.00 0.00 66.70 66.41 3kop h VAL 32 Cb 0.40 2.20 -0.10 0.00 -1.52 0.00 0.00 31.29 32.28 3kop h VAL 32 CO -0.31 0.36 -0.10 -0.25 0.02 0.00 0.00 177.57 177.29 3kop h TRP 33 N -0.82 -0.21 0.00 1.57 2.91 -1.04 -0.81 115.95 117.55 3kop h TRP 33 Ca -0.01 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 3kop h TRP 33 Cb 0.64 0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 29.47 3kop h TRP 33 CO 0.15 -0.20 -0.06 -0.44 -1.03 0.00 0.00 178.44 176.86 3kop h ASP 34 N 0.03 0.00 -0.04 2.65 3.32 -1.40 -2.60 116.42 118.37 3kop h ASP 34 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3kop h ASP 34 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3kop h ASP 34 CO -0.51 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.07 3kop n ALA 35 N -2.45 2.46 -1.68 3.45 0.00 -0.37 -4.98 120.51 116.95 3kop n ALA 35 Ca -0.03 -0.70 -0.34 0.00 0.00 0.00 0.00 53.44 52.37 3kop n ALA 35 Cb 0.14 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.97 3.60 0.44 0.00 1.43 -0.86 -4.40 118.68 116.93 3kop s LEU 36 Ca 0.28 2.00 -0.22 0.00 -1.03 0.00 0.00 54.13 55.17 3kop s LEU 36 Cb 0.20 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.77 3kop s LEU 36 CO 0.30 -1.26 1.00 -2.16 0.23 0.00 0.00 176.35 174.46 3kop s PRO 37 N -3.69 4.07 -0.09 1.29 0.04 -1.26 -4.94 135.00 130.41 3kop s PRO 37 Ca 0.68 1.31 0.04 0.00 0.04 0.00 0.00 61.00 63.06 3kop s PRO 37 Cb -0.20 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.09 3kop s PRO 37 CO 0.32 -0.19 -0.21 -0.65 0.04 0.00 0.00 177.00 176.32 3kop s GLN 38 N -2.99 2.64 -0.15 4.56 -1.52 -0.40 -4.99 119.66 116.81 3kop s GLN 38 Ca 0.63 -0.74 -0.07 0.00 -1.95 0.00 0.00 55.36 53.22 3kop s GLN 38 Cb -0.15 -2.03 0.06 0.00 -0.22 0.00 0.00 33.01 30.67 3kop s GLN 38 CO 0.19 0.14 0.34 0.45 -0.25 0.00 0.00 175.29 176.17 3kop s SER 39 N 0.42 -0.28 0.25 5.90 0.15 -1.26 0.39 113.70 119.28 3kop s SER 39 Ca -0.17 0.76 -0.22 0.00 0.70 0.00 0.00 55.95 57.02 3kop s SER 39 Cb -0.17 0.74 0.03 0.00 -1.71 0.00 0.00 66.02 64.91 3kop s SER 39 CO 0.07 -0.20 0.77 -0.55 1.20 0.00 0.00 173.24 174.54 3kop s SER 40 N 1.69 -0.24 0.08 5.45 0.15 -0.86 -4.99 113.70 114.99 3kop s SER 40 Ca -0.07 -0.57 -0.37 0.00 0.70 0.00 0.00 55.95 55.65 3kop s SER 40 Cb -0.10 0.68 -0.18 0.00 -1.71 0.00 0.00 66.02 64.71 3kop s SER 40 CO -0.11 -1.25 1.18 1.67 1.20 0.00 0.00 173.24 175.93 3kop n GLN 41 N -0.46 0.73 -3.04 5.44 -0.06 -1.26 -0.52 117.38 118.21 3kop n GLN 41 Ca -0.04 0.26 -0.31 0.00 -2.00 0.00 0.00 57.00 54.91 3kop n GLN 41 Cb 0.59 -1.80 -0.04 0.00 -4.06 0.00 0.00 30.24 24.93 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 0.13 4.77 0.03 1.69 0.11 -1.00 -4.34 120.40 121.78 3kop s VAL 42 Ca 0.83 0.70 0.03 0.00 -2.93 0.00 0.00 61.98 60.61 3kop s VAL 42 Cb -1.03 -3.67 -0.02 0.00 -1.53 0.00 0.00 36.38 30.13 3kop s VAL 42 CO 0.51 -0.34 -0.09 -0.36 -3.33 0.00 0.00 175.10 171.49 3kop s PHE 43 N -2.16 0.78 0.02 1.54 0.08 0.33 -4.88 117.98 113.68 3kop s PHE 43 Ca 0.52 -0.34 -0.16 0.00 0.12 0.00 0.00 56.93 57.07 3kop s PHE 43 Cb -0.10 -0.47 -0.06 0.00 -0.57 0.00 0.00 43.02 41.82 3kop s PHE 43 CO 0.25 -0.03 0.46 -1.58 -0.10 0.00 0.00 175.22 174.22 3kop s HIS 44 N -0.86 3.75 0.61 0.36 5.65 -1.26 -1.19 115.29 122.35 3kop s HIS 44 Ca -0.03 1.08 -0.19 0.00 0.25 0.00 0.00 55.06 56.17 3kop s HIS 44 Cb -0.07 -2.36 -0.03 0.00 -1.18 0.00 0.00 32.58 28.95 3kop s HIS 44 CO 0.00 0.63 1.27 0.20 -0.65 0.00 0.00 174.74 176.19 3kop s GLY 45 N -1.08 2.82 -0.02 1.59 0.00 -0.09 -4.95 107.32 105.59 3kop s GLY 45 Ca 0.25 1.14 0.13 0.00 0.00 0.00 0.00 44.72 46.25 3kop s GLY 45 CO 0.15 1.57 0.31 0.28 0.00 0.00 0.00 173.10 175.41 3kop n LYS 46 N -1.65 0.70 0.00 2.90 5.02 -1.26 -4.71 118.16 119.15 3kop n LYS 46 Ca 0.14 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3kop n LYS 46 Cb 0.48 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 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 -1.86 0.00 1.36 2.13 0.18 -1.26 -4.80 117.16 112.91 3kop n TYR 47 Ca -0.02 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.88 3kop n TYR 47 Cb 0.31 0.00 0.43 0.00 -0.38 0.00 0.00 39.34 39.71 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 -1.87 2.54 0.00 -3.48 0.00 -1.26 -4.68 120.51 111.76 3kop n ALA 48 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3kop n ALA 48 Cb 0.42 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.19 0.00 -1.78 0.00 0.63 -1.26 -4.23 116.66 110.21 3kop n ARG 49 Ca 0.17 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.69 3kop n ARG 49 Cb 0.31 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.22 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 8.58 5.91 -3.96 6.15 3.02 -1.26 -4.58 115.26 129.13 3kop n ASN 50 Ca 0.00 -2.86 -0.19 0.00 -0.03 0.00 0.00 54.58 51.50 3kop n ASN 50 Cb 0.00 -1.56 -0.15 0.00 -0.61 0.00 0.00 39.78 37.46 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 1.81 0.74 0.29 3.52 2.12 -1.26 -1.31 118.70 124.60 3kop s GLU 51 Ca 0.52 -0.22 0.12 0.00 0.36 0.00 0.00 54.97 55.75 3kop s GLU 51 Cb 0.15 -0.72 -0.05 0.00 0.26 0.00 0.00 34.13 33.77 3kop s GLU 51 CO -0.06 0.07 -0.18 0.96 -0.54 0.00 0.00 175.26 175.50 3kop s ILE 52 N 0.25 2.46 0.10 -3.70 -4.36 -0.60 -0.92 121.20 114.43 3kop s ILE 52 Ca -0.03 -2.38 -0.26 0.00 -0.26 0.00 0.00 60.65 57.72 3kop s ILE 52 Cb -0.08 -2.35 0.08 0.00 1.25 0.00 0.00 42.46 41.36 3kop s ILE 52 CO 0.00 -0.37 0.86 -0.72 0.24 0.00 0.00 174.94 174.94 3kop s TYR 53 N -2.52 -0.29 0.34 1.37 1.13 -0.33 -0.22 117.35 116.83 3kop s TYR 53 Ca 0.30 0.06 0.04 0.00 -1.41 0.00 0.00 57.07 56.06 3kop s TYR 53 Cb -0.04 0.59 -0.07 0.00 -1.10 0.00 0.00 41.96 41.34 3kop s TYR 53 CO 0.15 -0.74 0.04 0.54 -2.51 0.00 0.00 175.55 173.03 3kop s ASN 54 N -2.71 2.64 -0.08 -0.18 2.20 -0.55 -0.51 114.94 115.75 3kop s ASN 54 Ca 0.07 -1.36 0.01 0.00 -0.94 0.00 0.00 52.86 50.64 3kop s ASN 54 Cb -0.02 -0.14 0.02 0.00 -2.00 0.00 0.00 41.25 39.11 3kop s ASN 54 CO -0.04 -0.56 -0.08 -0.76 -2.94 0.00 0.00 177.10 172.71 3kop s LEU 55 N -3.52 1.35 0.10 3.54 1.43 -1.26 -2.26 118.68 118.07 3kop s LEU 55 Ca 0.36 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 3kop s LEU 55 Cb 0.09 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 3kop s LEU 55 CO 0.16 -0.05 -0.10 0.68 0.23 0.00 0.00 176.35 177.27 3kop s VAL 56 N 1.16 0.94 0.49 -1.59 -7.23 0.09 -4.85 120.40 109.40 3kop s VAL 56 Ca -0.06 -1.70 -0.24 0.00 -1.81 0.00 0.00 61.98 58.18 3kop s VAL 56 Cb -0.14 -1.42 -0.07 0.00 0.56 0.00 0.00 36.38 35.31 3kop s VAL 56 CO -0.02 -0.60 1.41 -2.65 -0.31 0.00 0.00 175.10 172.94 3kop n PRO 57 N 0.45 2.05 -1.56 4.82 -0.02 -1.26 0.17 135.00 139.65 3kop n PRO 57 Ca -0.15 0.74 -0.47 0.00 -2.02 0.00 0.00 63.50 61.60 3kop n PRO 57 Cb 0.58 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 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 -0.54 -0.82 0.00 3.55 0.00 -0.62 -4.64 120.51 117.44 3kop n ALA 58 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3kop n ALA 58 Cb 0.43 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 0.64 0.00 -2.59 0.00 1.16 -1.26 -5.04 117.46 110.37 3kop n PHE 59 Ca 0.13 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.34 3kop n PHE 59 Cb 0.28 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.11 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 -1.13 3.10 0.34 1.98 0.00 -1.26 -4.94 121.76 119.86 3kop s ALA 60 Ca 0.00 0.66 0.05 0.00 0.00 0.00 0.00 51.96 52.68 3kop s ALA 60 Cb 0.00 -3.25 0.71 0.00 0.00 0.00 0.00 23.12 20.57 3kop s ALA 60 CO 0.00 -0.14 1.92 -1.35 0.00 0.00 0.00 175.76 176.18 3kop h PRO 61 N 2.57 0.78 -3.66 0.00 0.11 -1.97 -3.41 132.00 126.42 3kop h PRO 61 Ca -0.48 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.44 3kop h PRO 61 Cb 1.21 -0.18 -0.19 0.00 0.11 0.00 0.00 31.00 31.95 3kop h PRO 61 CO 0.63 0.52 -0.51 -1.59 -0.21 0.00 0.00 178.00 176.83 3kop s LYS 62 N -5.74 0.52 0.41 1.05 -2.85 -1.26 -5.15 119.74 106.73 3kop s LYS 62 Ca -0.10 -0.57 -0.25 0.00 -1.00 0.00 0.00 55.97 54.05 3kop s LYS 62 Cb 0.20 0.21 -0.08 0.00 -2.06 0.00 0.00 37.83 36.10 3kop s LYS 62 CO 0.78 -0.13 1.20 -1.21 0.10 0.00 0.00 175.35 176.10 3kop s GLU 63 N -1.94 3.99 0.48 1.78 0.41 -1.26 -4.91 118.70 117.25 3kop s GLU 63 Ca -0.11 1.92 0.26 0.00 -0.41 0.00 0.00 54.97 56.63 3kop s GLU 63 Cb -0.05 -2.67 1.17 0.00 -1.78 0.00 0.00 34.13 30.81 3kop s GLU 63 CO -0.01 -0.40 1.94 -1.00 -0.49 0.00 0.00 175.26 175.30 3kop h PRO 64 N 2.58 0.00 -0.90 0.39 0.13 -1.98 -3.49 132.00 128.73 3kop h PRO 64 Ca -0.49 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.75 3kop h PRO 64 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 3kop h PRO 64 CO 0.62 0.18 -0.17 0.41 -0.23 0.00 0.00 178.00 178.81 3kop n GLY 65 N -0.24 -1.61 3.68 1.56 0.00 -1.26 -4.80 105.19 102.52 3kop n GLY 65 Ca -0.01 -1.42 -0.47 0.00 0.00 0.00 0.00 46.02 44.11 3kop n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kop n ALA 66 N -1.68 1.06 -3.70 4.61 0.00 -1.26 -4.97 120.51 114.57 3kop n ALA 66 Ca -0.00 0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.66 3kop n ALA 66 Cb 0.18 -2.45 -0.12 0.00 0.00 0.00 0.00 19.45 17.06 3kop n ALA 66 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3kop s GLU 67 N 3.02 0.29 -1.40 0.00 2.12 -1.26 -4.95 118.70 116.51 3kop s GLU 67 Ca 0.88 0.71 -0.01 0.00 0.36 0.00 0.00 54.97 56.91 3kop s GLU 67 Cb -0.68 -0.03 0.00 0.00 0.26 0.00 0.00 34.13 33.68 3kop s GLU 67 CO 0.47 -0.18 0.41 -1.71 -0.54 0.00 0.00 175.26 173.71 3kop n ASN 68 N 4.46 -0.45 -4.86 -1.70 5.15 -1.26 -3.96 115.26 112.64 3kop n ASN 68 Ca -0.21 -1.03 -0.31 0.00 -0.60 0.00 0.00 54.58 52.43 3kop n ASN 68 Cb 0.53 -2.97 -0.03 0.00 -0.53 0.00 0.00 39.78 36.78 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 -3.96 4.66 0.05 -0.44 -4.23 -1.26 -1.73 115.64 108.73 3kop s THR 69 Ca 0.02 0.93 0.02 0.00 -1.18 0.00 0.00 61.69 61.48 3kop s THR 69 Cb -0.01 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 3kop s THR 69 CO 0.89 -0.59 -0.07 0.28 -0.54 0.00 0.00 174.62 174.60 3kop s THR 70 N -2.48 0.53 -0.59 3.99 -1.32 -0.24 -4.89 115.64 110.65 3kop s THR 70 Ca 0.55 -1.19 0.06 0.00 -1.21 0.00 0.00 61.69 59.90 3kop s THR 70 Cb -0.10 -0.73 0.11 0.00 -1.51 0.00 0.00 72.50 70.27 3kop s THR 70 CO 0.31 -0.46 0.95 1.33 -2.21 0.00 0.00 174.62 174.54 3kop n VAL 71 N 1.26 0.60 -3.24 5.08 0.24 -1.26 -1.63 118.33 119.37 3kop n VAL 71 Ca -0.21 -0.80 -0.25 0.00 -2.04 0.00 0.00 64.34 61.03 3kop n VAL 71 Cb 0.55 0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 33.61 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 0.15 1.58 -2.11 3.34 -2.24 -1.26 -0.94 114.28 112.80 3kop n THR 72 Ca 0.05 -4.97 -0.35 0.00 -2.27 0.00 0.00 64.05 56.51 3kop n THR 72 Cb 0.26 -1.72 0.02 0.00 -2.10 0.00 0.00 70.33 66.79 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 -2.41 3.15 0.34 -0.78 0.04 -1.26 -4.97 135.00 129.12 3kop s PRO 73 Ca 0.41 1.66 0.09 0.00 0.04 0.00 0.00 61.00 63.20 3kop s PRO 73 Cb 0.20 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 3kop s PRO 73 CO -0.07 -1.03 -0.07 0.96 0.04 0.00 0.00 177.00 176.83 3kop s ILE 74 N -1.78 2.32 0.14 0.56 -4.36 -1.26 -4.33 121.20 112.49 3kop s ILE 74 Ca 0.74 -2.16 -0.34 0.00 -0.26 0.00 0.00 60.65 58.63 3kop s ILE 74 Cb -0.26 -2.68 -0.14 0.00 1.25 0.00 0.00 42.46 40.64 3kop s ILE 74 CO 0.31 -0.20 1.59 -2.65 0.24 0.00 0.00 174.94 174.22 3kop n PRO 75 N -0.83 2.09 0.00 0.37 -0.02 -1.18 -1.59 135.00 133.84 3kop n PRO 75 Ca -0.05 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3kop n PRO 75 Cb 0.63 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 3.43 0.83 3.74 -1.23 0.00 0.15 -4.91 105.19 107.21 3kop n GLY 76 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kop n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kop n ASP 77 N 0.00 3.85 -4.32 1.61 8.00 -0.62 -0.44 116.55 124.63 3kop n ASP 77 Ca 0.00 1.14 -0.34 0.00 0.71 0.00 0.00 54.79 56.30 3kop n ASP 77 Cb 0.00 -1.59 -0.14 0.00 -0.02 0.00 0.00 41.12 39.37 3kop n ASP 77 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kop s VAL 78 N 0.11 3.06 0.09 2.53 1.01 -0.38 -0.90 120.40 125.92 3kop s VAL 78 Ca 0.65 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 62.09 3kop s VAL 78 Cb -0.50 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3kop s VAL 78 CO 0.47 0.49 -0.22 0.00 0.00 0.00 0.00 175.10 175.84 3kop s TYR 80 N -1.02 2.64 -0.02 0.00 6.14 -0.24 -0.65 117.35 124.20 3kop s TYR 80 Ca 0.08 -1.03 0.06 0.00 0.64 0.00 0.00 57.07 56.82 3kop s TYR 80 Cb -0.10 -1.77 -0.01 0.00 0.42 0.00 0.00 41.96 40.50 3kop s TYR 80 CO 0.04 -0.42 -0.19 -0.06 0.64 0.00 0.00 175.55 175.55 3kop s PHE 81 N 0.47 1.75 -0.25 4.97 0.40 -0.12 -1.49 117.98 123.71 3kop s PHE 81 Ca -0.14 -0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 55.66 3kop s PHE 81 Cb -0.17 -1.14 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 3kop s PHE 81 CO 0.06 -0.06 0.42 0.99 0.70 0.00 0.00 175.22 177.33 3kop s THR 82 N -0.37 5.15 0.31 0.64 2.01 -1.26 -1.38 115.64 120.73 3kop s THR 82 Ca 0.05 0.70 0.06 0.00 0.31 0.00 0.00 61.69 62.81 3kop s THR 82 Cb -0.08 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 3kop s THR 82 CO -0.00 0.16 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.69 3kop s PHE 83 N 1.98 2.08 0.33 4.92 0.08 0.91 -5.00 117.98 123.28 3kop s PHE 83 Ca 0.18 -0.72 0.07 0.00 0.12 0.00 0.00 56.93 56.58 3kop s PHE 83 Cb -0.15 -1.26 -0.02 0.00 -0.57 0.00 0.00 43.02 41.01 3kop s PHE 83 CO 0.09 0.28 0.33 0.95 -0.10 0.00 0.00 175.22 176.78 3kop s THR 84 N -2.98 3.75 0.48 0.64 -4.23 -1.26 -0.40 115.64 111.63 3kop s THR 84 Ca 0.32 -1.28 0.22 0.00 -1.18 0.00 0.00 61.69 59.78 3kop s THR 84 Cb 0.05 -3.26 0.40 0.00 1.34 0.00 0.00 72.50 71.03 3kop s THR 84 CO 0.14 -0.18 1.92 0.28 -0.54 0.00 0.00 174.62 176.23 3kop h SER 85 N 1.18 0.20 -0.36 3.99 0.02 -1.78 -2.02 113.55 114.78 3kop h SER 85 Ca -0.45 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.46 3kop h SER 85 Cb 1.25 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 3kop h SER 85 CO 0.57 0.09 0.05 0.78 -1.14 0.00 0.00 176.83 177.18 3kop h ASN 86 N 0.21 0.66 0.25 3.07 -0.26 -1.89 0.27 115.58 117.89 3kop h ASN 86 Ca 0.37 -0.13 -0.05 0.00 -0.56 0.00 0.00 56.30 55.94 3kop h ASN 86 Cb 1.17 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 38.25 3kop h ASN 86 CO -0.08 0.70 -0.22 0.44 -1.06 0.00 0.00 177.43 177.22 3kop h ASP 87 N 0.67 0.00 0.00 5.81 3.32 -1.76 -3.38 116.42 121.08 3kop h ASP 87 Ca 0.14 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 3kop h ASP 87 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3kop h ASP 87 CO 0.01 0.22 -1.48 0.18 -1.72 0.00 0.00 179.24 176.45 3kop n LEU 88 N -4.18 2.73 -3.88 1.55 4.77 -1.03 -4.75 117.00 112.21 3kop n LEU 88 Ca -0.02 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 3kop n LEU 88 Cb 0.28 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3kop n LEU 88 CO 0.36 0.59 2.50 0.29 -1.33 0.00 0.00 177.39 179.80 3kop n LYS 89 N -2.81 2.79 -4.19 3.23 5.02 0.93 -4.68 118.16 118.44 3kop n LYS 89 Ca -0.15 -2.66 -0.18 0.00 -2.02 0.00 0.00 58.31 53.30 3kop n LYS 89 Cb 0.65 -3.31 -0.12 0.00 -0.02 0.00 0.00 35.03 32.24 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 3.65 1.15 0.25 -0.18 -4.23 -1.26 -4.86 115.64 110.16 3kop s THR 90 Ca 0.49 -1.42 -0.05 0.00 -1.18 0.00 0.00 61.69 59.53 3kop s THR 90 Cb 0.12 -1.20 0.24 0.00 1.34 0.00 0.00 72.50 73.01 3kop s THR 90 CO -0.04 -0.29 1.67 -0.65 -0.54 0.00 0.00 174.62 174.78 3kop h PRO 91 N 4.07 0.23 0.00 3.99 0.11 -1.99 -1.77 132.00 136.64 3kop h PRO 91 Ca -0.40 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kop h PRO 91 Cb 1.19 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kop h PRO 91 CO 0.43 0.15 -0.01 0.66 -0.21 0.00 0.00 178.00 179.02 3kop h SER 92 N 0.24 0.00 0.16 -2.05 4.64 -1.96 -2.54 113.55 112.04 3kop h SER 92 Ca 0.42 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.42 3kop h SER 92 Cb 0.74 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.83 3kop h SER 92 CO -0.54 0.01 -1.62 0.45 -0.87 0.00 0.00 176.83 174.26 3kop h HIS 93 N 0.00 0.63 -4.86 4.77 3.86 -1.61 -3.49 115.15 114.44 3kop h HIS 93 Ca -0.00 -0.46 -0.38 0.00 -1.16 0.00 0.00 60.37 58.37 3kop h HIS 93 Cb 0.03 -0.03 0.09 0.00 1.06 0.00 0.00 27.41 28.57 3kop h HIS 93 CO 0.00 1.63 -0.61 0.41 0.86 0.00 0.00 177.93 180.23 3kop n GLY 94 N 1.82 -0.46 3.76 2.45 0.00 -0.93 -4.98 105.19 106.85 3kop n GLY 94 Ca -0.25 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3kop n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kop s TYR 95 N -3.22 2.43 -1.82 1.61 2.02 -1.26 -5.15 117.35 111.97 3kop s TYR 95 Ca 0.41 1.36 0.00 0.00 -0.37 0.00 0.00 57.07 58.47 3kop s TYR 95 Cb -0.18 -3.78 0.00 0.00 -0.40 0.00 0.00 41.96 37.60 3kop s TYR 95 CO 0.51 -2.71 0.57 0.39 -1.57 0.00 0.00 175.55 172.74 3kop n GLU 96 N -0.65 0.62 0.00 -0.62 1.02 -1.26 -5.08 120.64 114.67 3kop n GLU 96 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3kop n GLU 96 Cb 0.44 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 3kop n GLU 96 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3kop n GLN 105 N -0.37 0.00 -3.54 3.49 7.27 -1.26 -5.25 117.38 117.72 3kop n GLN 105 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 3kop n GLN 105 Cb 0.03 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.60 3kop n GLN 105 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 3kop s THR 106 N -1.33 5.30 -0.04 1.69 2.01 -1.26 -1.93 115.64 120.07 3kop s THR 106 Ca 0.00 0.50 0.06 0.00 0.31 0.00 0.00 61.69 62.56 3kop s THR 106 Cb 0.00 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 3kop s THR 106 CO 0.00 0.36 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.42 3kop s ILE 107 N 0.72 1.90 -0.11 1.82 1.01 0.46 -1.59 121.20 125.41 3kop s ILE 107 Ca 0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 3kop s ILE 107 Cb -0.13 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 3kop s ILE 107 CO 0.04 0.53 -0.02 -0.69 0.00 0.00 0.00 174.94 174.81 3kop s VAL 108 N -0.27 4.11 -0.24 2.92 1.01 0.13 -0.06 120.40 127.99 3kop s VAL 108 Ca 0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3kop s VAL 108 Cb -0.12 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 3kop s VAL 108 CO 0.02 0.56 0.02 -0.62 0.00 0.00 0.00 175.10 175.07 3kop s ASP 109 N -0.39 4.73 -0.29 3.32 -1.08 -0.48 -0.73 116.67 121.75 3kop s ASP 109 Ca 0.07 -0.38 -0.07 0.00 -0.52 0.00 0.00 52.55 51.64 3kop s ASP 109 Cb -0.12 -1.83 0.00 0.00 -1.46 0.00 0.00 42.92 39.51 3kop s ASP 109 CO 0.02 -0.05 0.09 -0.76 0.52 0.00 0.00 175.17 174.98 3kop s LEU 110 N 1.53 3.82 0.06 -1.34 1.43 -0.96 -0.94 118.68 122.28 3kop s LEU 110 Ca 0.05 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 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 0.00 -0.17 -0.24 0.00 0.23 0.00 0.00 176.35 176.17 3kop s ALA 111 N 1.53 2.39 -0.12 4.21 0.00 0.17 -1.48 121.76 128.46 3kop s ALA 111 Ca 0.03 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.73 3kop s ALA 111 Cb -0.17 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.41 3kop s ALA 111 CO 0.03 0.55 -0.22 0.08 0.00 0.00 0.00 175.76 176.20 3kop s VAL 112 N -0.90 2.21 -0.32 0.00 1.01 0.70 -0.93 120.40 122.16 3kop s VAL 112 Ca 0.13 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 3kop s VAL 112 Cb -0.10 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3kop s VAL 112 CO 0.04 0.55 0.19 -0.36 0.00 0.00 0.00 175.10 175.52 3kop s PHE 113 N 0.50 3.20 -2.43 5.22 0.08 -0.08 -1.55 117.98 122.92 3kop s PHE 113 Ca -0.14 -0.40 0.20 0.00 0.12 0.00 0.00 56.93 56.71 3kop s PHE 113 Cb -0.17 -2.41 0.18 0.00 -0.57 0.00 0.00 43.02 40.05 3kop s PHE 113 CO 0.05 -0.41 1.15 2.48 -0.10 0.00 0.00 175.22 178.39 3kop n TYR 114 N 5.04 0.05 -3.79 0.36 0.18 -0.43 0.34 117.16 118.90 3kop n TYR 114 Ca -0.13 -0.03 -0.07 0.00 1.88 0.00 0.00 57.90 59.55 3kop n TYR 114 Cb 0.49 -0.00 -0.01 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 2.68 2.74 -7.48 0.00 -1.24 -4.74 105.19 98.27 3kop n GLY 115 Ca 0.12 -1.49 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.26 0.99 -3.45 1.61 1.85 -1.26 -3.08 116.66 113.06 3kop n ARG 116 Ca 0.00 -2.63 -0.19 0.00 -1.00 0.00 0.00 57.85 54.04 3kop n ARG 116 Cb 0.27 0.49 0.08 0.00 -1.05 0.00 0.00 32.46 32.25 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 -1.56 -3.72 -4.73 2.89 4.13 -1.26 -4.76 115.26 106.25 3kop n ASN 117 Ca -0.08 -0.57 -0.35 0.00 1.68 0.00 0.00 54.58 55.26 3kop n ASN 117 Cb 0.47 -4.92 -0.08 0.00 -1.54 0.00 0.00 39.78 33.70 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 -3.91 5.50 -0.11 6.41 0.01 -1.26 -4.91 114.94 116.67 3kop s ASN 118 Ca 0.23 0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.59 3kop s ASN 118 Cb -0.10 -1.60 0.01 0.00 0.41 0.00 0.00 41.25 39.98 3kop s ASN 118 CO 0.70 0.37 -0.16 -0.76 -1.51 0.00 0.00 177.10 175.74 3kop s LEU 119 N -1.06 1.75 -1.27 0.60 1.43 -1.26 -4.17 118.68 114.71 3kop s LEU 119 Ca 0.15 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 3kop s LEU 119 Cb -0.12 -1.11 0.13 0.00 0.03 0.00 0.00 46.19 45.12 3kop s LEU 119 CO 0.04 0.02 1.64 0.18 0.23 0.00 0.00 176.35 178.47 3kop n LEU 120 N 4.17 5.40 -3.68 1.79 4.77 -0.12 -4.22 117.00 125.11 3kop n LEU 120 Ca -0.19 -4.28 -0.10 0.00 -0.03 0.00 0.00 56.01 51.41 3kop n LEU 120 Cb 0.51 -1.65 -0.10 0.00 -2.33 0.00 0.00 43.42 39.85 3kop n LEU 120 CO 0.24 0.64 0.07 -0.22 -1.33 0.00 0.00 177.39 176.79 3kop s LEU 121 N 2.29 -0.28 0.16 2.23 2.96 -1.26 -0.45 118.68 124.34 3kop s LEU 121 Ca 0.46 0.96 -0.01 0.00 -0.22 0.00 0.00 54.13 55.33 3kop s LEU 121 Cb 0.02 1.42 -0.04 0.00 0.50 0.00 0.00 46.19 48.09 3kop s LEU 121 CO 0.02 -0.21 0.09 0.54 -1.32 0.00 0.00 176.35 175.47 3kop s ASN 122 N 1.69 0.27 0.00 3.68 2.20 0.37 -4.76 114.94 118.39 3kop s ASN 122 Ca -0.08 -1.28 0.18 0.00 -0.94 0.00 0.00 52.86 50.74 3kop s ASN 122 Cb -0.09 0.33 0.76 0.00 -2.00 0.00 0.00 41.25 40.25 3kop s ASN 122 CO -0.13 -0.77 1.53 0.61 -2.94 0.00 0.00 177.10 175.40 3kop n GLY 123 N -0.17 -0.09 0.08 0.45 0.00 -1.26 -1.15 105.19 103.04 3kop n GLY 123 Ca -0.02 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 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 1.48 0.06 0.00 1.61 3.32 -2.00 -3.44 116.42 117.44 3kop h ASP 124 Ca 0.00 -0.95 0.00 0.00 0.02 0.00 0.00 57.03 56.10 3kop h ASP 124 Cb 0.33 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3kop h ASP 124 CO 0.00 1.10 0.00 1.07 -1.72 0.00 0.00 179.24 179.69 3kop n THR 125 N -4.52 0.00 0.00 0.35 5.66 -1.24 -5.13 114.28 109.39 3kop n THR 125 Ca -0.13 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 3kop n THR 125 Cb 0.55 1.57 0.00 0.00 -1.55 0.00 0.00 70.33 70.90 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 0.00 0.97 3.76 1.09 0.00 -0.30 -4.96 105.19 105.74 3kop n GLY 126 Ca 0.00 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 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 3.63 -0.48 1.61 0.52 -1.26 -0.48 118.94 122.47 3kop s TRP 127 Ca 0.00 1.74 0.03 0.00 0.02 0.00 0.00 56.10 57.89 3kop s TRP 127 Cb 0.00 -3.21 0.16 0.00 -1.15 0.00 0.00 33.47 29.27 3kop s TRP 127 CO 0.00 -0.36 0.34 0.14 0.02 0.00 0.00 176.95 177.09 3kop s VAL 128 N -1.22 1.20 0.35 4.03 -7.23 0.41 -4.93 120.40 113.00 3kop s VAL 128 Ca 0.45 -2.93 -0.28 0.00 -1.81 0.00 0.00 61.98 57.41 3kop s VAL 128 Cb -0.30 -1.82 -0.10 0.00 0.56 0.00 0.00 36.38 34.72 3kop s VAL 128 CO 0.38 -1.07 1.38 -2.84 -0.31 0.00 0.00 175.10 172.63 3kop s PRO 129 N -0.14 4.23 0.07 4.82 0.02 -1.26 -4.80 135.00 137.95 3kop s PRO 129 Ca 0.26 2.35 0.06 0.00 0.02 0.00 0.00 61.00 63.69 3kop s PRO 129 Cb -0.08 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.40 3kop s PRO 129 CO -0.12 -0.34 -0.08 0.20 -0.33 0.00 0.00 177.00 176.32 3kop s GLY 130 N -0.37 1.79 -0.28 0.52 0.00 -0.65 -4.92 107.32 103.42 3kop s GLY 130 Ca 0.51 -1.16 -0.29 0.00 0.00 0.00 0.00 44.72 43.78 3kop s GLY 130 CO 0.57 -1.11 1.04 -1.31 0.00 0.00 0.00 173.10 172.29 3kop s ASN 131 N -1.97 6.99 -0.40 1.64 -0.87 -0.56 -1.07 114.94 118.70 3kop s ASN 131 Ca 0.21 1.18 -0.26 0.00 -1.57 0.00 0.00 52.86 52.42 3kop s ASN 131 Cb -0.11 -2.53 0.02 0.00 -0.02 0.00 0.00 41.25 38.60 3kop s ASN 131 CO 0.12 -0.77 0.92 -0.69 -2.57 0.00 0.00 177.10 174.12 3kop s VAL 132 N 3.40 4.55 0.00 1.60 1.01 -0.70 -1.08 120.40 129.18 3kop s VAL 132 Ca 0.44 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.42 3kop s VAL 132 Cb -0.14 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.88 3kop s VAL 132 CO 0.11 -0.65 0.04 2.22 0.00 0.00 0.00 175.10 176.82 3kop n PHE 133 N 6.92 0.00 -3.78 5.22 -1.74 -0.53 -4.69 117.46 118.86 3kop n PHE 133 Ca 0.07 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.86 3kop n PHE 133 Cb 0.48 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.42 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 -0.89 -0.47 -0.09 1.98 0.00 -1.20 0.32 121.76 121.41 3kop s ALA 134 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3kop s ALA 134 Cb 0.00 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.70 3kop s ALA 134 CO 0.00 -0.55 -0.09 0.99 0.00 0.00 0.00 175.76 176.11 3kop s THR 135 N -3.83 1.01 0.03 0.00 2.01 -0.48 -1.25 115.64 113.14 3kop s THR 135 Ca 0.04 -0.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 3kop s THR 135 Cb 0.04 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 3kop s THR 135 CO -0.11 0.35 1.27 -0.63 -0.69 0.00 0.00 174.62 174.80 3kop s ILE 136 N 1.30 3.91 -0.14 1.82 1.01 0.42 -0.70 121.20 128.82 3kop s ILE 136 Ca -0.03 1.34 0.05 0.00 0.00 0.00 0.00 60.65 62.01 3kop s ILE 136 Cb -0.14 -3.86 -0.07 0.00 0.01 0.00 0.00 42.46 38.41 3kop s ILE 136 CO -0.03 0.06 0.17 1.33 0.00 0.00 0.00 174.94 176.47 3kop n VAL 137 N 4.21 0.00 -3.80 2.92 0.24 0.59 -4.91 118.33 117.58 3kop n VAL 137 Ca 0.11 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 3kop n VAL 137 Cb 0.45 0.73 -0.12 0.00 -1.47 0.00 0.00 33.84 33.43 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 -1.87 0.20 0.00 7.34 2.02 -1.07 -4.92 118.70 120.41 3kop s GLU 138 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.26 3kop s GLU 138 Cb 0.04 0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.34 3kop s GLU 138 CO 0.21 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.86 3kop n GLY 139 N 3.11 0.43 0.33 -1.39 0.00 -1.26 -1.67 105.19 104.74 3kop n GLY 139 Ca -0.14 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 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 1.06 -0.53 0.99 5.85 -1.91 -3.04 115.31 117.73 3kop h LEU 140 Ca 0.00 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3kop h LEU 140 Cb 0.00 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3kop h LEU 140 CO 0.00 0.92 0.14 0.44 -0.34 0.00 0.00 178.44 179.60 3kop h ASP 141 N 1.13 0.80 0.00 1.25 3.32 -1.96 0.17 116.42 121.12 3kop h ASP 141 Ca 0.26 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3kop h ASP 141 Cb 0.18 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3kop h ASP 141 CO -0.03 0.81 0.00 -0.62 -1.72 0.00 0.00 179.24 177.69 3kop n GLU 142 N -4.44 0.21 0.00 3.56 4.71 -1.15 -1.66 120.64 121.87 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 0.22 -1.27 0.00 0.00 -1.01 0.00 0.00 31.44 29.38 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 0.69 0.00 -0.24 0.62 0.00 0.59 -1.01 120.51 121.17 3kop n ALA 144 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3kop n ALA 144 Cb 0.08 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.57 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 0.84 -0.77 0.00 0.00 -1.57 -0.88 119.26 116.88 3kop h ALA 145 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kop h ALA 145 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3kop h ALA 145 CO 0.00 0.38 0.44 0.00 0.00 0.00 0.00 179.25 180.08 3kop h ALA 146 N 1.16 1.32 -0.25 0.00 0.00 -1.35 -2.16 119.26 117.98 3kop h ALA 146 Ca 0.23 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3kop h ALA 146 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3kop h ALA 146 CO -0.03 0.57 -0.44 0.00 0.00 0.00 0.00 179.25 179.34 3kop h GLN 148 N 0.50 0.80 0.00 0.00 1.08 -1.00 -1.03 115.11 115.46 3kop h GLN 148 Ca 0.03 -0.14 -0.08 0.00 -1.45 0.00 0.00 58.65 57.01 3kop h GLN 148 Cb 0.97 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 3kop h GLN 148 CO 0.09 0.69 -0.40 0.22 -0.95 0.00 0.00 178.83 178.48 3kop h ASP 149 N 0.78 0.00 -0.49 1.46 3.58 -0.86 -2.42 116.42 118.47 3kop h ASP 149 Ca 0.18 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.55 3kop h ASP 149 Cb 0.22 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 3kop h ASP 149 CO -0.01 0.40 -0.01 0.40 -2.88 0.00 0.00 179.24 177.14 3kop h ILE 150 N 0.00 1.26 0.00 2.25 2.04 -0.21 0.47 117.51 123.32 3kop h ILE 150 Ca -0.00 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.77 3kop h ILE 150 Cb 0.81 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3kop h ILE 150 CO 0.05 0.38 0.00 1.87 0.00 0.00 0.00 178.15 180.45 3kop n TRP 151 N -4.33 0.00 0.00 1.37 -0.00 -0.46 -0.35 117.44 113.67 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 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.63 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 -0.70 0.00 0.00 5.87 0.00 0.17 -5.02 105.19 105.50 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 -0.23 0.13 -0.02 0.00 0.52 -4.82 105.19 100.78 3kop n GLY 154 Ca 0.00 -1.82 0.01 0.00 0.00 0.00 0.00 46.02 44.22 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 0.05 2.11 -1.68 4.61 0.00 -1.26 -4.45 120.51 119.89 3kop n ALA 155 Ca 0.00 -0.95 -0.45 0.00 0.00 0.00 0.00 53.44 52.05 3kop n ALA 155 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.21 2.29 -1.51 0.00 5.12 -1.26 -1.64 116.66 119.46 3kop n ARG 156 Ca 0.02 0.82 -0.18 0.00 -1.93 0.00 0.00 57.85 56.59 3kop n ARG 156 Cb 0.25 -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 3.24 -5.08 -4.80 0.55 8.00 -1.26 -4.97 116.55 112.23 3kop n ASP 157 Ca 0.15 0.44 -0.36 0.00 0.71 0.00 0.00 54.79 55.73 3kop n ASP 157 Cb 0.31 -4.40 -0.07 0.00 -0.02 0.00 0.00 41.12 36.93 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 -3.49 3.25 -0.07 -1.24 2.56 -0.65 -4.58 118.70 114.49 3kop s GLU 158 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 54.97 54.73 3kop s GLU 158 Cb 0.00 -3.03 0.02 0.00 2.00 0.00 0.00 34.13 33.12 3kop s GLU 158 CO 0.00 0.74 -0.10 0.99 -0.56 0.00 0.00 175.26 176.34 3kop s THR 159 N -0.99 0.96 -0.24 -1.70 2.01 -1.26 -2.36 115.64 112.05 3kop s THR 159 Ca 0.15 -0.36 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 3kop s THR 159 Cb -0.12 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 3kop s THR 159 CO 0.04 0.32 0.30 -0.22 -0.69 0.00 0.00 174.62 174.37 3kop s LEU 160 N 0.87 4.09 -0.12 4.42 2.96 0.32 -1.79 118.68 129.42 3kop s LEU 160 Ca -0.11 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 3kop s LEU 160 Cb -0.15 -2.33 -0.00 0.00 0.50 0.00 0.00 46.19 44.21 3kop s LEU 160 CO 0.01 -0.07 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.89 3kop s THR 161 N 1.55 2.42 -0.18 3.68 2.01 0.13 -2.02 115.64 123.22 3kop s THR 161 Ca 0.13 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 61.18 3kop s THR 161 Cb -0.15 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 3kop s THR 161 CO 0.08 0.54 0.05 -0.36 -0.69 0.00 0.00 174.62 174.25 3kop s PHE 162 N 0.52 3.23 0.10 4.92 0.40 0.16 -0.81 117.98 126.49 3kop s PHE 162 Ca -0.12 0.04 -0.06 0.00 -0.60 0.00 0.00 56.93 56.19 3kop s PHE 162 Cb -0.17 -2.07 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 3kop s PHE 162 CO 0.05 0.13 0.13 -1.54 0.70 0.00 0.00 175.22 174.68 3kop s SER 163 N 0.39 0.23 0.25 1.36 1.04 -0.48 -1.27 113.70 115.22 3kop s SER 163 Ca 0.03 -0.85 -0.30 0.00 0.48 0.00 0.00 55.95 55.31 3kop s SER 163 Cb -0.13 0.31 -0.09 0.00 0.10 0.00 0.00 66.02 66.21 3kop s SER 163 CO 0.00 -0.72 1.24 -0.13 0.98 0.00 0.00 173.24 174.61 3kop s ARG 164 N -3.92 4.46 0.00 4.02 0.52 -1.26 -0.65 118.95 122.12 3kop s ARG 164 Ca 0.10 2.00 0.27 0.00 -0.52 0.00 0.00 55.73 57.58 3kop s ARG 164 Cb 0.06 -3.17 0.87 0.00 0.52 0.00 0.00 34.95 33.22 3kop s ARG 164 CO -0.07 -0.09 1.64 0.00 0.02 0.00 0.00 175.30 176.79