#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpk n LYS 2 N 0.00 0.11 -3.91 0.03 3.00 -1.26 -5.04 118.16 111.09 1wpk n LYS 2 Ca 0.00 0.04 -0.34 0.00 -0.00 0.00 0.00 58.31 58.01 1wpk n LYS 2 Cb 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 35.03 34.42 1wpk n LYS 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1wpk s LYS 3 N -1.51 3.42 0.16 1.64 -0.14 -1.26 -5.11 119.74 116.94 1wpk s LYS 3 Ca -0.06 -0.27 0.07 0.00 -1.36 0.00 0.00 55.97 54.35 1wpk s LYS 3 Cb 0.01 -3.11 -0.04 0.00 -1.68 0.00 0.00 37.83 33.01 1wpk s LYS 3 CO 0.09 0.71 -0.01 0.00 -0.76 0.00 0.00 175.35 175.37 1wpk s ALA 4 N -1.22 3.19 0.00 5.17 0.00 -1.26 -5.02 121.76 122.62 1wpk s ALA 4 Ca 0.23 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1wpk s ALA 4 Cb -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1wpk s ALA 4 CO 0.14 0.51 0.00 0.25 0.00 0.00 0.00 175.76 176.66 1wpk n THR 5 N -0.02 0.00 0.00 0.00 -2.24 -1.26 -4.46 114.28 106.30 1wpk n THR 5 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1wpk n THR 5 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1wpk n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wpk n LEU 7 N -0.96 0.00 -4.06 0.00 -0.00 -1.26 -5.14 117.00 105.57 1wpk n LEU 7 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1wpk n LEU 7 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 1wpk n LEU 7 CO 0.00 0.00 -0.38 0.28 -0.00 0.00 0.00 177.39 177.29 1wpk s THR 8 N -0.75 0.42 0.45 1.47 -1.32 -1.26 -5.03 115.64 109.61 1wpk s THR 8 Ca 0.00 -1.26 0.18 0.00 -1.21 0.00 0.00 61.69 59.41 1wpk s THR 8 Cb 0.00 -0.79 0.22 0.00 -1.51 0.00 0.00 72.50 70.42 1wpk s THR 8 CO 0.00 -0.56 2.03 0.44 -2.21 0.00 0.00 174.62 174.32 1wpk h ASP 9 N 4.14 0.00 -0.17 8.08 3.32 -2.01 -2.67 116.42 127.11 1wpk h ASP 9 Ca -0.35 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.58 1wpk h ASP 9 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1wpk h ASP 9 CO 0.47 0.15 -0.38 -0.78 -1.72 0.00 0.00 179.24 176.99 1wpk h ASP 10 N 0.00 0.63 -0.10 6.45 3.58 -2.00 -2.93 116.42 122.05 1wpk h ASP 10 Ca -0.00 -0.56 0.02 0.00 0.42 0.00 0.00 57.03 56.91 1wpk h ASP 10 Cb 0.29 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 1wpk h ASP 10 CO 0.02 1.08 0.07 -0.61 -2.88 0.00 0.00 179.24 176.92 1wpk h GLN 11 N 0.21 0.04 0.13 0.28 5.75 -1.89 -2.69 115.11 116.94 1wpk h GLN 11 Ca 0.00 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1wpk h GLN 11 Cb 0.98 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.52 1wpk h GLN 11 CO 0.08 0.03 -0.06 0.00 -2.65 0.00 0.00 178.83 176.23 1wpk h ARG 12 N 0.04 -0.17 -0.21 1.69 3.08 -1.46 -3.14 114.38 114.21 1wpk h ARG 12 Ca 0.04 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.17 1wpk h ARG 12 Cb 0.13 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1wpk h ARG 12 CO -0.00 0.29 0.38 2.35 -1.07 0.00 0.00 179.97 181.92 1wpk h TRP 13 N -0.78 0.00 0.32 3.04 -0.00 -1.30 -1.86 115.95 115.36 1wpk h TRP 13 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.86 1wpk h TRP 13 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.70 1wpk h TRP 13 CO 0.09 0.00 -0.15 1.96 -0.00 0.00 0.00 178.44 180.34 1wpk h GLN 14 N 0.00 -0.41 -0.38 2.65 1.08 -1.43 -1.93 115.11 114.69 1wpk h GLN 14 Ca 0.10 0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.39 1wpk h GLN 14 Cb 0.87 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 1wpk h GLN 14 CO -0.00 -0.08 0.26 0.77 -0.95 0.00 0.00 178.83 178.83 1wpk h SER 15 N -0.80 0.22 -0.12 1.46 0.02 -1.39 -0.24 113.55 112.70 1wpk h SER 15 Ca -0.04 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1wpk h SER 15 Cb 0.52 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1wpk h SER 15 CO 0.07 0.14 -0.10 0.58 -1.14 0.00 0.00 176.83 176.38 1wpk h VAL 16 N 0.25 1.35 -0.05 2.27 2.07 -1.45 -2.04 116.25 118.65 1wpk h VAL 16 Ca 0.17 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 1wpk h VAL 16 Cb 0.37 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1wpk h VAL 16 CO -0.03 0.35 -0.33 -0.07 0.02 0.00 0.00 177.57 177.51 1wpk h LEU 17 N -0.11 0.10 -0.55 2.57 -0.00 -0.67 -2.62 115.31 114.03 1wpk h LEU 17 Ca 0.02 -0.03 -0.09 0.00 -0.00 0.00 0.00 57.88 57.78 1wpk h LEU 17 Cb 0.61 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.23 1wpk h LEU 17 CO 0.03 0.43 -0.43 0.00 -0.00 0.00 0.00 178.44 178.46 1wpk h ALA 18 N 1.58 0.84 -2.15 1.53 0.00 -1.01 -3.47 119.26 116.59 1wpk h ALA 18 Ca 0.01 -0.39 -0.35 0.00 0.00 0.00 0.00 54.91 54.18 1wpk h ALA 18 Cb 0.63 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1wpk h ALA 18 CO 0.05 0.54 -0.42 -2.13 0.00 0.00 0.00 179.25 177.28 1wpk n ARG 19 N -3.38 -1.34 -1.50 0.00 0.63 -0.77 -4.87 116.66 105.42 1wpk n ARG 19 Ca 0.01 0.89 -0.45 0.00 -0.92 0.00 0.00 57.85 57.37 1wpk n ARG 19 Cb 0.61 -5.31 -0.06 0.00 0.45 0.00 0.00 32.46 28.15 1wpk n ARG 19 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1wpk n ASP 20 N -1.20 2.22 0.16 6.15 -0.08 -1.22 -4.79 116.55 117.79 1wpk n ASP 20 Ca -0.20 0.15 0.12 0.00 -1.51 0.00 0.00 54.79 53.36 1wpk n ASP 20 Cb 0.64 -1.36 0.57 0.00 2.34 0.00 0.00 41.12 43.32 1wpk n ASP 20 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1wpk h PRO 21 N 14.42 0.00 -1.02 -0.67 0.13 -1.93 -2.40 132.00 140.53 1wpk h PRO 21 Ca -0.27 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.36 1wpk h PRO 21 Cb 1.29 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.15 1wpk h PRO 21 CO 1.07 0.00 0.64 -1.71 -0.23 0.00 0.00 178.00 177.77 1wpk n ASN 22 N -2.34 4.45 -1.85 1.44 2.85 -1.26 -4.46 115.26 114.08 1wpk n ASN 22 Ca 0.00 -3.50 -0.12 0.00 -0.11 0.00 0.00 54.58 50.85 1wpk n ASN 22 Cb 0.16 -0.85 0.19 0.00 1.24 0.00 0.00 39.78 40.52 1wpk n ASN 22 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wpk n ALA 23 N -0.93 4.55 -1.54 5.20 0.00 -0.91 -4.92 120.51 121.96 1wpk n ALA 23 Ca 0.55 -2.04 -0.20 0.00 0.00 0.00 0.00 53.44 51.74 1wpk n ALA 23 Cb 1.38 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 19.45 1wpk n ALA 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wpk n ASP 24 N -0.44 1.13 0.00 0.00 8.00 -1.26 0.90 116.55 124.88 1wpk n ASP 24 Ca 0.40 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.86 1wpk n ASP 24 Cb 1.30 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1wpk n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wpk n GLY 25 N 6.39 0.82 0.00 0.44 0.00 -1.26 -5.07 105.19 106.52 1wpk n GLY 25 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1wpk n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wpk n GLU 26 N 0.00 0.00 -3.62 1.61 -0.58 0.26 -5.02 120.64 113.29 1wpk n GLU 26 Ca 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.68 1wpk n GLU 26 Cb 0.00 -0.73 -0.05 0.00 -0.57 0.00 0.00 31.44 30.09 1wpk n GLU 26 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1wpk s PHE 27 N -0.53 -0.23 -0.04 -0.32 -0.12 -1.18 -4.79 117.98 110.77 1wpk s PHE 27 Ca 0.00 0.46 -0.19 0.00 -0.05 0.00 0.00 56.93 57.14 1wpk s PHE 27 Cb 0.00 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 1wpk s PHE 27 CO 0.00 -0.17 0.55 0.08 -0.05 0.00 0.00 175.22 175.63 1wpk s VAL 28 N -0.65 5.00 -0.38 -2.49 1.01 0.30 -3.71 120.40 119.47 1wpk s VAL 28 Ca 0.04 1.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.99 1wpk s VAL 28 Cb -0.02 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1wpk s VAL 28 CO -0.06 0.40 0.46 -0.36 0.00 0.00 0.00 175.10 175.55 1wpk s PHE 29 N -0.03 3.17 -0.10 5.22 0.08 -1.26 0.72 117.98 125.78 1wpk s PHE 29 Ca 0.29 -0.08 -0.21 0.00 0.12 0.00 0.00 56.93 57.05 1wpk s PHE 29 Cb -0.17 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.35 1wpk s PHE 29 CO 0.15 -0.60 0.62 0.00 -0.10 0.00 0.00 175.22 175.29 1wpk s ALA 30 N 2.26 3.41 -0.21 5.36 0.00 -1.04 -4.08 121.76 127.45 1wpk s ALA 30 Ca 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 51.96 52.03 1wpk s ALA 30 Cb -0.16 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1wpk s ALA 30 CO 0.14 -0.12 0.03 0.08 0.00 0.00 0.00 175.76 175.89 1wpk s VAL 31 N 0.88 4.26 0.02 0.00 1.01 0.45 -1.52 120.40 125.50 1wpk s VAL 31 Ca 0.32 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.18 1wpk s VAL 31 Cb -0.17 -2.94 -0.23 0.00 0.00 0.00 0.00 36.38 33.04 1wpk s VAL 31 CO 0.14 0.41 0.91 0.03 0.00 0.00 0.00 175.10 176.59 1wpk h ARG 32 N 7.48 0.03 -0.15 2.72 -0.00 -1.86 0.30 114.38 122.91 1wpk h ARG 32 Ca -0.36 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.98 59.04 1wpk h ARG 32 Cb 1.18 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 31.16 1wpk h ARG 32 CO 0.62 0.77 0.04 1.79 0.00 0.00 0.00 179.97 183.19 1wpk h THR 33 N 0.01 1.20 0.00 2.04 1.35 -1.87 -3.28 112.91 112.36 1wpk h THR 33 Ca -0.18 -0.63 -0.11 0.00 -0.55 0.00 0.00 66.41 64.94 1wpk h THR 33 Cb 1.92 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 69.65 1wpk h THR 33 CO 0.11 0.19 -2.00 0.35 -0.25 0.00 0.00 175.52 173.92 1wpk n THR 34 N -4.82 0.48 -2.51 6.82 -2.24 -1.26 -5.01 114.28 105.74 1wpk n THR 34 Ca -0.05 -0.61 -0.02 0.00 -2.27 0.00 0.00 64.05 61.10 1wpk n THR 34 Cb 0.16 -0.19 0.01 0.00 -2.10 0.00 0.00 70.33 68.20 1wpk n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpk n GLY 35 N 1.39 0.72 3.35 3.38 0.00 0.10 -4.91 105.19 109.23 1wpk n GLY 35 Ca -0.12 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 1wpk n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wpk s ILE 36 N -2.88 1.78 0.18 -0.61 -4.36 -0.86 0.27 121.20 114.72 1wpk s ILE 36 Ca 0.05 -2.19 0.01 0.00 -0.26 0.00 0.00 60.65 58.25 1wpk s ILE 36 Cb -0.02 -2.03 -0.00 0.00 1.25 0.00 0.00 42.46 41.65 1wpk s ILE 36 CO 0.06 -0.56 0.03 2.22 0.24 0.00 0.00 174.94 176.93 1wpk n PHE 37 N -0.33 0.25 -2.78 1.37 1.16 0.42 0.17 117.46 117.73 1wpk n PHE 37 Ca -0.08 -1.02 -0.21 0.00 -1.87 0.00 0.00 57.45 54.26 1wpk n PHE 37 Cb 0.60 -0.07 0.07 0.00 -1.61 0.00 0.00 39.48 38.47 1wpk n PHE 37 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1wpk s ARG 39 N -2.67 2.17 0.22 3.97 1.81 -1.17 0.12 118.95 123.40 1wpk s ARG 39 Ca 0.04 -1.21 -0.12 0.00 -1.72 0.00 0.00 55.73 52.72 1wpk s ARG 39 Cb 0.00 -2.51 0.29 0.00 -0.45 0.00 0.00 34.95 32.28 1wpk s ARG 39 CO 0.03 -0.99 1.62 -1.35 -0.68 0.00 0.00 175.30 173.93 1wpk h PRO 40 N -0.06 0.01 0.00 3.54 0.11 -1.82 -3.38 132.00 130.40 1wpk h PRO 40 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1wpk h PRO 40 Cb 1.28 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1wpk h PRO 40 CO 0.43 0.01 0.00 0.43 -0.21 0.00 0.00 178.00 178.66 1wpk n SER 41 N -5.44 0.00 0.00 -2.05 7.64 -1.26 -3.12 113.62 109.39 1wpk n SER 41 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1wpk n SER 41 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1wpk n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wpk n ARG 43 N -1.01 0.70 -4.06 0.00 0.63 -1.26 -4.64 116.66 107.02 1wpk n ARG 43 Ca 0.00 -1.62 -0.32 0.00 -0.92 0.00 0.00 57.85 54.99 1wpk n ARG 43 Cb 0.00 -1.33 -0.16 0.00 0.45 0.00 0.00 32.46 31.42 1wpk n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wpk s ALA 44 N 0.64 2.30 -0.53 5.13 0.00 -1.26 -5.06 121.76 122.98 1wpk s ALA 44 Ca 0.31 -1.41 -0.26 0.00 0.00 0.00 0.00 51.96 50.61 1wpk s ALA 44 Cb 0.22 -1.35 -0.08 0.00 0.00 0.00 0.00 23.12 21.91 1wpk s ALA 44 CO -0.23 -0.80 2.43 -2.13 0.00 0.00 0.00 175.76 175.03 1wpk n ARG 45 N 4.58 0.96 -2.00 0.00 0.63 -1.26 -4.57 116.66 115.00 1wpk n ARG 45 Ca -0.16 -0.09 -0.04 0.00 -0.92 0.00 0.00 57.85 56.64 1wpk n ARG 45 Cb 0.46 -3.43 0.05 0.00 0.45 0.00 0.00 32.46 29.99 1wpk n ARG 45 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1wpk n HIS 46 N 16.11 -1.10 0.00 -0.14 -0.00 -1.26 -5.08 115.22 123.74 1wpk n HIS 46 Ca 0.39 -1.23 0.00 0.00 0.46 0.00 0.00 57.72 57.34 1wpk n HIS 46 Cb 0.52 1.05 0.00 0.00 -0.12 0.00 0.00 29.99 31.44 1wpk n HIS 46 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wpk n ALA 47 N -0.87 0.00 -0.82 1.57 0.00 -1.26 -4.80 120.51 114.33 1wpk n ALA 47 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.95 1wpk n ALA 47 Cb 0.81 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.49 1wpk n ALA 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wpk s LEU 48 N 0.00 1.06 0.61 0.00 1.02 -1.26 -4.55 118.68 115.56 1wpk s LEU 48 Ca 0.00 1.33 0.30 0.00 0.02 0.00 0.00 54.13 55.78 1wpk s LEU 48 Cb 0.00 -3.33 1.63 0.00 0.02 0.00 0.00 46.19 44.51 1wpk s LEU 48 CO 0.00 -3.81 2.01 -0.09 0.02 0.00 0.00 176.35 174.48 1wpk h ARG 49 N -2.36 0.00 0.01 1.70 2.43 -2.02 0.53 114.38 114.67 1wpk h ARG 49 Ca -0.59 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.25 1wpk h ARG 49 Cb 1.34 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.83 1wpk h ARG 49 CO 0.54 0.00 -2.00 0.39 -1.51 0.00 0.00 179.97 177.39 1wpk n GLU 50 N -3.56 0.66 -1.15 0.20 -0.58 -1.26 -4.19 120.64 110.76 1wpk n GLU 50 Ca 0.03 0.18 -0.24 0.00 -0.42 0.00 0.00 57.16 56.71 1wpk n GLU 50 Cb 0.44 -1.68 0.14 0.00 -0.57 0.00 0.00 31.44 29.77 1wpk n GLU 50 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1wpk n ASN 51 N -2.99 4.68 -3.89 1.62 3.02 0.04 -4.88 115.26 112.85 1wpk n ASN 51 Ca -0.25 -3.52 -0.21 0.00 -0.03 0.00 0.00 54.58 50.57 1wpk n ASN 51 Cb 1.08 -0.86 -0.17 0.00 -0.61 0.00 0.00 39.78 39.23 1wpk n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wpk s VAL 52 N -3.37 0.59 0.43 2.41 0.11 -0.36 -4.15 120.40 116.07 1wpk s VAL 52 Ca 0.54 -0.13 0.07 0.00 -2.93 0.00 0.00 61.98 59.53 1wpk s VAL 52 Cb 0.44 -0.62 -0.02 0.00 -1.53 0.00 0.00 36.38 34.66 1wpk s VAL 52 CO 0.07 0.25 0.37 -0.55 -3.33 0.00 0.00 175.10 171.91 1wpk s SER 53 N 1.07 4.96 0.03 3.54 0.15 -0.58 -4.96 113.70 117.91 1wpk s SER 53 Ca -0.09 -0.82 0.07 0.00 0.70 0.00 0.00 55.95 55.82 1wpk s SER 53 Cb -0.14 -0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 63.69 1wpk s SER 53 CO -0.01 -0.70 -0.22 -0.36 1.20 0.00 0.00 173.24 173.16 1wpk s PHE 54 N -2.52 1.90 0.12 3.44 0.08 -1.26 -2.51 117.98 117.24 1wpk s PHE 54 Ca 0.47 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 57.10 1wpk s PHE 54 Cb -0.03 -1.16 -0.03 0.00 -0.57 0.00 0.00 43.02 41.24 1wpk s PHE 54 CO 0.27 0.06 0.12 0.71 -0.10 0.00 0.00 175.22 176.28 1wpk s TYR 55 N -0.72 0.56 -0.18 0.36 2.02 0.22 -4.87 117.35 114.74 1wpk s TYR 55 Ca 0.08 -0.97 -0.11 0.00 -0.37 0.00 0.00 57.07 55.70 1wpk s TYR 55 Cb -0.09 -0.28 -0.22 0.00 -0.40 0.00 0.00 41.96 40.97 1wpk s TYR 55 CO 0.01 -0.55 0.19 0.00 -1.57 0.00 0.00 175.55 173.63 1wpk n ALA 56 N -0.08 0.94 -3.86 3.71 0.00 -1.26 0.11 120.51 120.07 1wpk n ALA 56 Ca -0.09 -0.66 -0.16 0.00 0.00 0.00 0.00 53.44 52.53 1wpk n ALA 56 Cb 0.63 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.52 1wpk n ALA 56 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wpk n ASN 57 N -3.83 -0.49 0.06 0.00 2.85 -1.26 -4.32 115.26 108.28 1wpk n ASN 57 Ca -0.36 -2.50 -0.21 0.00 -0.11 0.00 0.00 54.58 51.41 1wpk n ASN 57 Cb 0.91 1.15 -0.14 0.00 1.24 0.00 0.00 39.78 42.94 1wpk n ASN 57 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wpk h ALA 58 N 1.73 -0.06 -0.22 5.20 0.00 -1.98 -3.05 119.26 120.88 1wpk h ALA 58 Ca -0.16 -0.71 0.06 0.00 0.00 0.00 0.00 54.91 54.10 1wpk h ALA 58 Cb 0.82 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1wpk h ALA 58 CO 0.23 0.46 0.16 0.66 0.00 0.00 0.00 179.25 180.76 1wpk h SER 59 N -0.17 0.03 0.05 0.00 4.64 -1.97 0.85 113.55 116.98 1wpk h SER 59 Ca -0.15 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1wpk h SER 59 Cb 1.69 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1wpk h SER 59 CO 0.18 0.02 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.80 1wpk h GLU 60 N 0.04 -0.06 -0.14 4.77 4.39 -1.98 -2.51 114.58 119.08 1wpk h GLU 60 Ca 0.10 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.67 1wpk h GLU 60 Cb 0.37 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1wpk h GLU 60 CO -0.01 0.57 -0.50 0.00 -1.16 0.00 0.00 179.01 177.91 1wpk h ALA 61 N -0.03 0.88 -0.28 3.43 0.00 -1.36 -2.95 119.26 118.95 1wpk h ALA 61 Ca -0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1wpk h ALA 61 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1wpk h ALA 61 CO 0.01 0.67 0.07 1.25 0.00 0.00 0.00 179.25 181.25 1wpk h LEU 62 N 0.30 0.43 -1.17 0.00 6.46 0.62 -2.89 115.31 119.06 1wpk h LEU 62 Ca 0.01 -0.23 0.03 0.00 -0.12 0.00 0.00 57.88 57.57 1wpk h LEU 62 Cb 0.99 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.76 1wpk h LEU 62 CO 0.09 0.55 0.57 0.00 -0.62 0.00 0.00 178.44 179.03 1wpk h ALA 63 N 0.90 1.44 0.00 1.25 0.00 -1.41 -0.54 119.26 120.89 1wpk h ALA 63 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wpk h ALA 63 Cb 0.29 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wpk h ALA 63 CO 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 179.25 179.69 1wpk h ALA 64 N 1.49 1.28 0.00 0.00 0.00 -1.33 -3.45 119.26 117.24 1wpk h ALA 64 Ca 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1wpk h ALA 64 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wpk h ALA 64 CO -0.09 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1wpk n GLY 65 N -0.94 0.52 3.02 0.00 0.00 -0.22 -5.12 105.19 102.44 1wpk n GLY 65 Ca -0.02 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 1wpk n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wpk s PHE 66 N -0.52 -0.18 0.20 1.61 0.08 -1.16 -4.88 117.98 113.12 1wpk s PHE 66 Ca 0.00 0.44 -0.30 0.00 0.12 0.00 0.00 56.93 57.20 1wpk s PHE 66 Cb 0.00 0.04 -0.08 0.00 -0.57 0.00 0.00 43.02 42.41 1wpk s PHE 66 CO 0.00 -0.10 0.97 1.03 -0.10 0.00 0.00 175.22 177.02 1wpk s ARG 67 N 0.28 4.77 0.55 0.44 0.52 0.14 -4.29 118.95 121.37 1wpk s ARG 67 Ca -0.02 1.52 -0.19 0.00 -0.52 0.00 0.00 55.73 56.52 1wpk s ARG 67 Cb -0.03 -3.30 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 1wpk s ARG 67 CO -0.01 0.36 1.15 -1.25 0.02 0.00 0.00 175.30 175.58 1wpk s PRO 68 N -0.76 3.28 -0.26 3.54 0.04 -1.26 0.16 135.00 139.73 1wpk s PRO 68 Ca 0.44 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 63.14 1wpk s PRO 68 Cb -0.26 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.36 1wpk s PRO 68 CO 0.32 -0.93 0.05 0.00 0.04 0.00 0.00 177.00 176.49 1wpk n LYS 70 N 4.87 1.74 -0.96 0.00 5.02 -1.26 -3.03 118.16 124.55 1wpk n LYS 70 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1wpk n LYS 70 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 1wpk n LYS 70 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wpk n ARG 71 N -0.20 -0.47 -1.09 1.97 1.74 -1.26 -4.85 116.66 112.50 1wpk n ARG 71 Ca 0.00 0.12 -0.05 0.00 -0.77 0.00 0.00 57.85 57.14 1wpk n ARG 71 Cb 0.00 -3.51 0.15 0.00 -1.02 0.00 0.00 32.46 28.08 1wpk n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wpk n GLN 73 N -0.99 -3.21 0.00 0.00 1.13 -1.26 -3.38 117.38 109.67 1wpk n GLN 73 Ca 0.29 2.61 0.00 0.00 -1.94 0.00 0.00 57.00 57.96 1wpk n GLN 73 Cb 0.81 -5.11 0.00 0.00 0.11 0.00 0.00 30.24 26.05 1wpk n GLN 73 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1wpk n PRO 74 N 0.60 0.03 -3.58 -1.09 -0.04 -1.26 -4.47 135.00 125.19 1wpk n PRO 74 Ca 0.01 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.08 1wpk n PRO 74 Cb 0.03 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.43 1wpk n PRO 74 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1wpk s GLU 75 N -2.18 3.21 -0.04 0.54 2.56 -1.26 -4.65 118.70 116.89 1wpk s GLU 75 Ca 0.00 -2.91 0.01 0.00 0.00 0.00 0.00 54.97 52.07 1wpk s GLU 75 Cb 0.00 -4.03 0.05 0.00 2.00 0.00 0.00 34.13 32.15 1wpk s GLU 75 CO 0.00 -1.24 0.53 1.63 -0.56 0.00 0.00 175.26 175.62 1wpk n LYS 76 N 2.99 0.16 -3.82 4.30 5.02 -1.26 -5.15 118.16 120.40 1wpk n LYS 76 Ca 0.16 -0.18 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 1wpk n LYS 76 Cb 0.39 0.19 -0.03 0.00 -0.02 0.00 0.00 35.03 35.55 1wpk n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wpk s ALA 77 N 0.01 -0.97 -0.85 7.82 0.00 -1.26 -5.11 121.76 121.41 1wpk s ALA 77 Ca 0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.47 1wpk s ALA 77 Cb 0.05 0.90 0.18 0.00 0.00 0.00 0.00 23.12 24.25 1wpk s ALA 77 CO -0.01 -0.91 0.90 -0.80 0.00 0.00 0.00 175.76 174.93 1wpk s ASN 78 N -2.91 6.67 0.07 0.00 0.01 -1.26 -4.88 114.94 112.64 1wpk s ASN 78 Ca 0.12 -2.34 -0.18 0.00 -0.71 0.00 0.00 52.86 49.75 1wpk s ASN 78 Cb -0.03 -2.29 -0.10 0.00 0.41 0.00 0.00 41.25 39.24 1wpk s ASN 78 CO 0.03 -0.80 1.43 0.00 -1.51 0.00 0.00 177.10 176.24 1wpk h ALA 79 N 8.30 0.33 -1.63 0.60 0.00 -1.98 -3.42 119.26 121.47 1wpk h ALA 79 Ca 0.09 -0.32 -0.23 0.00 0.00 0.00 0.00 54.91 54.46 1wpk h ALA 79 Cb 1.04 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.48 1wpk h ALA 79 CO 0.92 0.21 -0.58 -1.14 0.00 0.00 0.00 179.25 178.66 1wpk s GLN 80 N -4.54 0.61 0.00 0.00 0.74 -1.26 -5.04 119.66 110.18 1wpk s GLN 80 Ca -0.13 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 54.88 1wpk s GLN 80 Cb 0.07 -0.38 0.00 0.00 1.10 0.00 0.00 33.01 33.80 1wpk s GLN 80 CO 0.78 -1.14 0.00 0.94 -0.55 0.00 0.00 175.29 175.31 1wpk n GLN 81 N 4.64 0.20 0.03 1.67 7.27 -1.26 -5.03 117.38 124.90 1wpk n GLN 81 Ca 0.08 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.15 1wpk n GLN 81 Cb 0.49 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.14 1wpk n GLN 81 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1wpk n HIS 82 N -1.46 0.00 -0.12 3.69 8.25 -1.26 -4.38 115.22 119.94 1wpk n HIS 82 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1wpk n HIS 82 Cb 0.00 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 1wpk n HIS 82 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1wpk h ARG 83 N -0.01 0.78 0.00 -0.41 2.43 -2.00 -1.92 114.38 113.25 1wpk h ARG 83 Ca 0.00 -0.35 -0.15 0.00 -0.81 0.00 0.00 59.98 58.67 1wpk h ARG 83 Cb 0.01 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1wpk h ARG 83 CO 0.00 0.97 -0.71 1.25 -1.51 0.00 0.00 179.97 179.98 1wpk h LEU 84 N 0.57 0.00 -0.65 3.80 6.46 -1.95 -3.08 115.31 120.47 1wpk h LEU 84 Ca 0.08 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.69 1wpk h LEU 84 Cb 0.75 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1wpk h LEU 84 CO 0.06 0.71 -0.61 -0.78 -0.62 0.00 0.00 178.44 177.19 1wpk h ASP 85 N 0.00 0.24 0.42 1.25 1.82 -1.74 -2.48 116.42 115.93 1wpk h ASP 85 Ca -0.01 -0.14 -0.02 0.00 -0.39 0.00 0.00 57.03 56.47 1wpk h ASP 85 Cb 1.31 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.25 1wpk h ASP 85 CO 0.09 0.80 -0.20 0.11 -1.61 0.00 0.00 179.24 178.43 1wpk h LYS 86 N 0.16 -0.54 -0.85 0.28 1.57 -1.31 -2.27 116.57 113.61 1wpk h LYS 86 Ca -0.01 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1wpk h LYS 86 Cb 1.12 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.50 1wpk h LYS 86 CO 0.09 -0.23 0.55 -0.84 -0.57 0.00 0.00 179.45 178.45 1wpk h ILE 87 N -0.98 1.02 -0.84 1.86 -0.00 -1.62 -0.60 117.51 116.35 1wpk h ILE 87 Ca -0.06 -0.31 -0.02 0.00 -0.00 0.00 0.00 64.86 64.47 1wpk h ILE 87 Cb 0.55 0.04 -0.04 0.00 -0.00 0.00 0.00 36.82 37.38 1wpk h ILE 87 CO 0.09 0.16 0.43 0.74 -0.00 0.00 0.00 178.15 179.58 1wpk h THR 88 N 0.90 1.25 0.00 0.16 2.02 -1.45 0.10 112.91 115.90 1wpk h THR 88 Ca 0.38 -0.67 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 1wpk h THR 88 Cb 0.29 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1wpk h THR 88 CO -0.14 0.29 -0.48 -0.74 0.37 0.00 0.00 175.52 174.82 1wpk h HIS 89 N 1.18 0.00 -0.05 3.16 2.76 -0.57 -2.86 115.15 118.77 1wpk h HIS 89 Ca 0.29 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.38 1wpk h HIS 89 Cb 0.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1wpk h HIS 89 CO 0.01 0.48 -0.30 0.00 -1.30 0.00 0.00 177.93 176.82 1wpk h ALA 90 N 1.52 0.11 -0.96 5.26 0.00 -0.26 -1.93 119.26 122.99 1wpk h ALA 90 Ca -0.00 -0.44 0.08 0.00 0.00 0.00 0.00 54.91 54.55 1wpk h ALA 90 Cb 0.86 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1wpk h ALA 90 CO 0.06 0.15 0.61 0.00 0.00 0.00 0.00 179.25 180.07 1wpk h ARG 92 N 1.05 0.01 -0.17 0.00 2.43 -1.54 -2.96 114.38 113.20 1wpk h ARG 92 Ca 0.44 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.54 1wpk h ARG 92 Cb 0.28 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1wpk h ARG 92 CO -0.21 0.76 -0.12 1.25 -1.51 0.00 0.00 179.97 180.15 1wpk h LEU 93 N 0.01 0.39 0.42 3.80 5.85 -0.37 -3.28 115.31 122.14 1wpk h LEU 93 Ca -0.01 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1wpk h LEU 93 Cb 1.34 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1wpk h LEU 93 CO 0.10 0.76 -0.20 0.25 -0.34 0.00 0.00 178.44 179.00 1wpk h LEU 94 N 0.03 -0.48 -1.99 2.25 5.85 -1.05 -3.49 115.31 116.43 1wpk h LEU 94 Ca 0.03 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1wpk h LEU 94 Cb 0.63 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.68 1wpk h LEU 94 CO 0.03 -0.34 -1.38 -0.62 -0.34 0.00 0.00 178.44 175.80 1wpk n GLU 95 N -5.33 -4.51 -1.62 1.25 -0.58 -1.12 -4.78 120.64 103.95 1wpk n GLU 95 Ca -0.11 3.38 -0.43 0.00 -0.42 0.00 0.00 57.16 59.58 1wpk n GLU 95 Cb 0.24 -4.76 -0.03 0.00 -0.57 0.00 0.00 31.44 26.32 1wpk n GLU 95 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1wpk n GLN 96 N 1.64 2.25 0.00 3.49 3.00 -1.26 -4.15 117.38 122.35 1wpk n GLN 96 Ca -0.31 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 1wpk n GLN 96 Cb 0.47 -3.14 0.00 0.00 0.00 0.00 0.00 30.24 27.58 1wpk n GLN 96 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1wpk n GLU 97 N 8.30 0.00 -4.85 -1.09 2.13 -1.26 -5.14 120.64 118.73 1wpk n GLU 97 Ca 0.27 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.83 1wpk n GLU 97 Cb 0.43 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.98 1wpk n GLU 97 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1wpk s THR 98 N -0.86 1.50 -0.22 6.31 2.01 -1.26 -5.10 115.64 118.02 1wpk s THR 98 Ca 0.00 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 1wpk s THR 98 Cb 0.00 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1wpk s THR 98 CO 0.00 0.37 1.79 -2.16 -0.69 0.00 0.00 174.62 173.93 1wpk s PRO 99 N -0.57 3.62 0.25 4.92 0.04 -1.26 -4.99 135.00 137.00 1wpk s PRO 99 Ca 0.07 1.76 0.11 0.00 0.04 0.00 0.00 61.00 62.98 1wpk s PRO 99 Cb -0.07 -4.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.28 1wpk s PRO 99 CO -0.00 -1.52 -0.13 0.54 0.04 0.00 0.00 177.00 175.93 1wpk s VAL 100 N 6.01 2.88 0.55 -0.36 0.11 -1.26 -5.14 120.40 123.19 1wpk s VAL 100 Ca 0.80 -2.12 -0.06 0.00 -2.93 0.00 0.00 61.98 57.67 1wpk s VAL 100 Cb -0.27 -2.50 -0.01 0.00 -1.53 0.00 0.00 36.38 32.06 1wpk s VAL 100 CO 0.32 -0.33 0.87 0.28 -3.33 0.00 0.00 175.10 172.92 1wpk s THR 101 N -2.27 4.26 0.02 5.04 -1.32 -1.26 -5.02 115.64 115.10 1wpk s THR 101 Ca 0.29 0.19 -0.21 0.00 -1.21 0.00 0.00 61.69 60.74 1wpk s THR 101 Cb -0.06 -3.66 -0.16 0.00 -1.51 0.00 0.00 72.50 67.11 1wpk s THR 101 CO 0.16 -0.70 1.31 -0.07 -2.21 0.00 0.00 174.62 173.11 1wpk h LEU 102 N -0.05 0.32 -2.12 9.08 4.07 -2.02 -3.09 115.31 121.51 1wpk h LEU 102 Ca -0.46 -0.51 0.06 0.00 0.08 0.00 0.00 57.88 57.06 1wpk h LEU 102 Cb 1.23 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 1wpk h LEU 102 CO 0.61 0.77 0.19 1.05 -1.08 0.00 0.00 178.44 179.98 1wpk h GLU 103 N -0.11 0.00 -0.43 1.13 4.11 -1.97 -1.68 114.58 115.63 1wpk h GLU 103 Ca 0.01 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.50 1wpk h GLU 103 Cb 0.69 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 1wpk h GLU 103 CO 0.03 0.00 0.13 0.00 0.07 0.00 0.00 179.01 179.24 1wpk h ALA 104 N 1.83 0.49 -0.05 1.06 0.00 -1.94 0.66 119.26 121.31 1wpk h ALA 104 Ca 0.10 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1wpk h ALA 104 Cb 0.48 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1wpk h ALA 104 CO -0.00 -0.27 -0.15 1.25 0.00 0.00 0.00 179.25 180.08 1wpk h LEU 105 N 0.28 0.07 -0.85 0.00 5.85 -1.43 -0.69 115.31 118.53 1wpk h LEU 105 Ca 0.20 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 1wpk h LEU 105 Cb 0.22 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1wpk h LEU 105 CO -0.23 0.23 -0.48 0.00 -0.34 0.00 0.00 178.44 177.63 1wpk h ALA 106 N 1.78 0.99 -0.41 1.25 0.00 -0.40 -2.87 119.26 119.59 1wpk h ALA 106 Ca 0.01 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1wpk h ALA 106 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1wpk h ALA 106 CO 0.02 0.60 -0.21 0.22 0.00 0.00 0.00 179.25 179.89 1wpk h ASP 107 N 0.00 0.83 0.01 0.00 3.58 0.17 0.37 116.42 121.38 1wpk h ASP 107 Ca -0.00 -0.29 -0.20 0.00 0.42 0.00 0.00 57.03 56.95 1wpk h ASP 107 Cb 0.99 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1wpk h ASP 107 CO 0.06 1.01 -0.74 1.56 -2.88 0.00 0.00 179.24 178.26 1wpk h GLN 108 N 0.71 0.64 0.00 0.28 1.08 -1.41 -3.12 115.11 113.29 1wpk h GLN 108 Ca 0.10 -0.51 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 1wpk h GLN 108 Cb 0.73 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1wpk h GLN 108 CO 0.06 1.13 -0.32 1.33 -0.95 0.00 0.00 178.83 180.07 1wpk n VAL 109 N -3.90 0.02 -3.31 -0.54 0.24 -1.09 -4.95 118.33 104.79 1wpk n VAL 109 Ca -0.06 -0.01 -0.17 0.00 -2.04 0.00 0.00 64.34 62.06 1wpk n VAL 109 Cb 0.72 -0.03 0.07 0.00 -1.47 0.00 0.00 33.84 33.12 1wpk n VAL 109 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wpk n ALA 110 N -1.51 -1.35 -3.40 2.33 0.00 0.11 -5.01 120.51 111.68 1wpk n ALA 110 Ca 0.06 0.17 -0.07 0.00 0.00 0.00 0.00 53.44 53.60 1wpk n ALA 110 Cb 0.34 -3.53 -0.02 0.00 0.00 0.00 0.00 19.45 16.24 1wpk n ALA 110 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1wpk n MET 111 N -3.96 0.19 -3.20 0.00 2.81 -0.12 -5.03 117.12 107.81 1wpk n MET 111 Ca -0.10 -1.08 -0.22 0.00 -1.81 0.00 0.00 57.70 54.49 1wpk n MET 111 Cb 0.59 0.94 0.00 0.00 -0.71 0.00 0.00 33.22 34.05 1wpk n MET 111 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1wpk s SER 112 N -1.78 5.93 0.39 7.83 0.01 -1.26 -4.49 113.70 120.33 1wpk s SER 112 Ca 0.12 0.16 0.27 0.00 1.31 0.00 0.00 55.95 57.81 1wpk s SER 112 Cb 0.00 -1.50 1.40 0.00 0.21 0.00 0.00 66.02 66.13 1wpk s SER 112 CO 0.09 -0.57 1.83 1.55 0.41 0.00 0.00 173.24 176.55 1wpk h PRO 113 N 0.60 0.00 -0.06 12.44 0.13 -1.94 -2.00 132.00 141.18 1wpk h PRO 113 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 1wpk h PRO 113 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wpk h PRO 113 CO 0.57 0.00 -0.77 0.35 -0.23 0.00 0.00 178.00 177.92 1wpk h PHE 114 N 0.00 0.51 -0.14 1.56 3.04 -2.00 -2.83 116.94 117.09 1wpk h PHE 114 Ca 0.00 -0.24 -0.08 0.00 3.98 0.00 0.00 57.97 61.63 1wpk h PHE 114 Cb 0.09 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.52 1wpk h PHE 114 CO 0.00 1.00 -0.22 0.45 -2.02 0.00 0.00 178.31 177.52 1wpk h HIS 115 N 0.24 0.49 -0.76 0.41 3.86 -1.75 -2.13 115.15 115.51 1wpk h HIS 115 Ca -0.04 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.00 1wpk h HIS 115 Cb 1.35 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.69 1wpk h HIS 115 CO 0.04 0.84 0.47 -0.07 0.86 0.00 0.00 177.93 180.07 1wpk h LEU 116 N -0.00 0.91 0.18 2.43 -0.00 -1.61 0.10 115.31 117.32 1wpk h LEU 116 Ca 0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1wpk h LEU 116 Cb 0.79 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1wpk h LEU 116 CO 0.05 0.69 -0.09 0.45 -0.00 0.00 0.00 178.44 179.54 1wpk h HIS 117 N 1.05 -0.23 -0.52 1.13 3.86 -1.49 0.12 115.15 119.07 1wpk h HIS 117 Ca 0.28 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 1wpk h HIS 117 Cb -0.06 0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 1wpk h HIS 117 CO 0.00 0.17 0.24 0.07 0.86 0.00 0.00 177.93 179.27 1wpk h ARG 118 N -0.71 0.73 -0.03 2.45 0.11 -1.26 0.92 114.38 116.58 1wpk h ARG 118 Ca -0.03 -0.09 -0.04 0.00 0.10 0.00 0.00 59.98 59.93 1wpk h ARG 118 Cb 0.50 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.44 1wpk h ARG 118 CO 0.04 0.58 -0.12 1.25 0.10 0.00 0.00 179.97 181.82 1wpk h LEU 119 N 0.73 0.16 -0.06 0.08 5.85 -0.81 -2.37 115.31 118.88 1wpk h LEU 119 Ca 0.18 -0.63 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1wpk h LEU 119 Cb 0.10 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1wpk h LEU 119 CO -0.02 0.77 0.02 -0.26 -0.34 0.00 0.00 178.44 178.61 1wpk h PHE 120 N -0.43 0.10 -0.56 1.25 -1.00 -0.81 -2.38 116.94 113.12 1wpk h PHE 120 Ca -0.01 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.81 1wpk h PHE 120 Cb 0.76 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 40.24 1wpk h PHE 120 CO 0.14 0.26 0.31 0.87 -1.61 0.00 0.00 178.31 178.28 1wpk h LYS 121 N -0.09 0.58 0.00 1.51 1.57 -0.92 0.96 116.57 120.18 1wpk h LYS 121 Ca 0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1wpk h LYS 121 Cb 0.21 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1wpk h LYS 121 CO -0.00 0.38 -0.06 0.00 -0.57 0.00 0.00 179.45 179.20 1wpk h ALA 122 N 1.28 1.25 0.00 3.86 0.00 -1.33 0.78 119.26 125.09 1wpk h ALA 122 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wpk h ALA 122 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1wpk h ALA 122 CO -0.14 0.08 -0.33 2.41 0.00 0.00 0.00 179.25 181.27 1wpk n THR 123 N -3.52 0.53 -0.00 0.00 -1.04 -0.37 -4.79 114.28 105.09 1wpk n THR 123 Ca -0.02 0.38 -0.15 0.00 -2.04 0.00 0.00 64.05 62.22 1wpk n THR 123 Cb 0.18 -1.80 -0.14 0.00 -1.82 0.00 0.00 70.33 66.75 1wpk n THR 123 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1wpk h THR 124 N -0.35 0.78 0.00 12.58 2.02 0.78 -3.49 112.91 125.23 1wpk h THR 124 Ca 0.00 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.63 1wpk h THR 124 Cb 0.33 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1wpk h THR 124 CO 0.00 0.71 0.00 0.61 0.37 0.00 0.00 175.52 177.21 1wpk n GLY 125 N 1.77 0.63 3.27 2.16 0.00 0.27 -4.95 105.19 108.34 1wpk n GLY 125 Ca -0.24 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 1wpk n GLY 125 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wpk s MET 126 N -3.09 1.31 0.35 1.61 -1.94 -1.26 -4.90 119.30 111.39 1wpk s MET 126 Ca 0.00 -1.70 0.09 0.00 -1.71 0.00 0.00 55.69 52.37 1wpk s MET 126 Cb 0.00 -0.11 -0.06 0.00 2.01 0.00 0.00 34.83 36.67 1wpk s MET 126 CO 0.00 -0.30 -0.00 0.95 -0.01 0.00 0.00 175.02 175.65 1wpk s THR 127 N -3.86 2.43 0.29 2.05 -4.23 -1.26 -4.10 115.64 106.95 1wpk s THR 127 Ca 0.37 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 1wpk s THR 127 Cb 0.07 -2.79 0.29 0.00 1.34 0.00 0.00 72.50 71.41 1wpk s THR 127 CO 0.12 -0.16 1.79 -0.65 -0.54 0.00 0.00 174.62 175.17 1wpk h PRO 128 N 1.83 0.78 -0.26 3.99 0.11 -2.01 0.21 132.00 136.65 1wpk h PRO 128 Ca -0.43 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 1wpk h PRO 128 Cb 1.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1wpk h PRO 128 CO 0.70 0.51 -0.27 0.87 -0.21 0.00 0.00 178.00 179.60 1wpk h LYS 129 N 0.80 0.51 -0.54 1.05 1.79 -2.00 -2.78 116.57 115.41 1wpk h LYS 129 Ca 0.55 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.77 1wpk h LYS 129 Cb 0.78 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.38 1wpk h LYS 129 CO -0.36 0.73 0.15 0.00 -1.08 0.00 0.00 179.45 178.90 1wpk h ALA 130 N 1.27 1.26 -0.06 3.86 0.00 -1.36 -0.35 119.26 123.88 1wpk h ALA 130 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1wpk h ALA 130 Cb 0.70 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wpk h ALA 130 CO 0.05 0.52 -0.02 -1.49 0.00 0.00 0.00 179.25 178.31 1wpk h TRP 131 N 0.79 0.14 -0.62 0.00 -0.00 -1.21 0.51 115.95 115.55 1wpk h TRP 131 Ca 0.18 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.99 1wpk h TRP 131 Cb 0.25 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.16 29.35 1wpk h TRP 131 CO 0.01 0.48 0.22 1.96 -0.00 0.00 0.00 178.44 181.11 1wpk h GLN 132 N -0.25 0.92 -0.09 0.49 4.20 -1.35 0.21 115.11 119.24 1wpk h GLN 132 Ca 0.01 -0.16 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 1wpk h GLN 132 Cb 0.44 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1wpk h GLN 132 CO 0.01 0.78 -0.67 0.37 -0.67 0.00 0.00 178.83 178.64 1wpk h GLN 133 N 0.90 0.39 -0.04 1.46 4.15 -1.01 -2.41 115.11 118.54 1wpk h GLN 133 Ca 0.21 -0.29 -0.25 0.00 0.77 0.00 0.00 58.65 59.09 1wpk h GLN 133 Cb 0.22 0.05 0.02 0.00 0.21 0.00 0.00 27.48 27.98 1wpk h GLN 133 CO -0.01 0.92 -0.94 0.00 -1.93 0.00 0.00 178.83 176.87 1wpk h ALA 134 N 1.00 0.17 -0.44 3.38 0.00 -0.48 -1.95 119.26 120.94 1wpk h ALA 134 Ca -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1wpk h ALA 134 Cb 1.23 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1wpk h ALA 134 CO 0.11 0.65 0.14 -1.49 0.00 0.00 0.00 179.25 178.67 1wpk h TRP 135 N 0.39 0.70 -0.39 0.00 4.06 -0.61 0.26 115.95 120.36 1wpk h TRP 135 Ca -0.11 -0.07 -0.13 0.00 2.06 0.00 0.00 58.89 60.65 1wpk h TRP 135 Cb 1.59 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 29.53 1wpk h TRP 135 CO 0.10 0.63 -0.26 -0.09 -3.56 0.00 0.00 178.44 175.27 1wpk h ARG 136 N 0.57 0.87 -0.14 0.49 2.43 -1.50 -2.06 114.38 115.05 1wpk h ARG 136 Ca 0.14 -0.41 -0.12 0.00 -0.81 0.00 0.00 59.98 58.78 1wpk h ARG 136 Cb 0.25 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1wpk h ARG 136 CO -0.01 1.05 -0.45 0.00 -1.51 0.00 0.00 179.97 179.05 1wpk h ALA 137 N 0.80 0.97 -0.10 2.80 0.00 -1.22 -2.83 119.26 119.68 1wpk h ALA 137 Ca 0.08 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 1wpk h ALA 137 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1wpk h ALA 137 CO 0.07 0.64 -0.54 0.00 0.00 0.00 0.00 179.25 179.41 1wpk h ARG 138 N 0.27 0.28 -0.03 0.00 3.08 -0.38 0.06 114.38 117.66 1wpk h ARG 138 Ca 0.02 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.79 1wpk h ARG 138 Cb 0.91 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1wpk h ARG 138 CO 0.08 0.75 -0.51 -0.09 -1.07 0.00 0.00 179.97 179.12 1wpk h ARG 139 N 0.21 0.07 0.07 0.04 1.12 -1.21 0.11 114.38 114.80 1wpk h ARG 139 Ca 0.00 -0.04 -0.30 0.00 -1.11 0.00 0.00 59.98 58.53 1wpk h ARG 139 Cb 1.02 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.96 1wpk h ARG 139 CO 0.09 0.57 -1.59 1.25 -3.11 0.00 0.00 179.97 177.18 1wpk h LEU 140 N 0.06 0.23 -0.21 3.80 5.85 -1.34 -3.33 115.31 120.37 1wpk h LEU 140 Ca -0.00 -0.37 -0.20 0.00 0.84 0.00 0.00 57.88 58.15 1wpk h LEU 140 Cb 0.93 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1wpk h LEU 140 CO 0.07 1.32 -0.92 0.03 -0.34 0.00 0.00 178.44 178.60 1wpk h ARG 141 N 0.04 0.09 -1.24 1.25 3.08 -0.93 -3.25 114.38 113.42 1wpk h ARG 141 Ca -0.25 -0.12 -0.58 0.00 0.07 0.00 0.00 59.98 59.10 1wpk h ARG 141 Cb 1.99 0.04 -0.24 0.00 0.08 0.00 0.00 29.97 31.83 1wpk h ARG 141 CO 0.12 0.94 0.75 -1.91 -1.07 0.00 0.00 179.97 178.80 1wpk n GLU 142 N -3.54 2.44 -3.09 0.04 4.07 0.38 -4.95 120.64 115.98 1wpk n GLU 142 Ca -0.02 -2.79 -0.20 0.00 -0.06 0.00 0.00 57.16 54.08 1wpk n GLU 142 Cb 0.85 -2.10 0.06 0.00 -0.06 0.00 0.00 31.44 30.20 1wpk n GLU 142 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1wpk n SER 143 N -0.49 2.21 -2.56 4.31 2.88 -1.23 -4.93 113.62 113.81 1wpk n SER 143 Ca 0.53 -2.60 -0.05 0.00 -1.33 0.00 0.00 58.87 55.42 1wpk n SER 143 Cb 0.61 -0.39 -0.04 0.00 -0.75 0.00 0.00 64.21 63.63 1wpk n SER 143 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wpk n LEU 144 N 0.00 -6.15 -4.72 2.46 4.77 -1.26 -4.90 117.00 107.19 1wpk n LEU 144 Ca 0.15 2.18 -0.42 0.00 -0.03 0.00 0.00 56.01 57.89 1wpk n LEU 144 Cb 0.61 -3.22 -0.03 0.00 -2.33 0.00 0.00 43.42 38.45 1wpk n LEU 144 CO 0.39 -3.86 0.94 0.00 -1.33 0.00 0.00 177.39 173.53 1wpk s ALA 145 N -0.72 3.47 -2.02 -1.18 0.00 -1.26 -5.22 121.76 114.83 1wpk s ALA 145 Ca -0.26 0.98 0.32 0.00 0.00 0.00 0.00 51.96 53.00 1wpk s ALA 145 Cb 0.02 -3.46 1.88 0.00 0.00 0.00 0.00 23.12 21.55 1wpk s ALA 145 CO 0.77 -0.48 2.21 1.17 0.00 0.00 0.00 175.76 179.44