#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpk s LYS 2 N 0.00 0.09 -0.38 2.12 1.02 -1.26 -5.13 119.74 116.21 1wpk s LYS 2 Ca 0.00 -0.13 -0.08 0.00 0.02 0.00 0.00 55.97 55.77 1wpk s LYS 2 Cb 0.00 -0.01 0.05 0.00 -0.52 0.00 0.00 37.83 37.36 1wpk s LYS 2 CO 0.00 -0.00 0.19 -1.59 -0.92 0.00 0.00 175.35 173.03 1wpk s LYS 3 N -0.30 2.63 0.27 1.68 0.00 -1.26 -5.08 119.74 117.68 1wpk s LYS 3 Ca -0.03 -1.29 -0.29 0.00 0.00 0.00 0.00 55.97 54.36 1wpk s LYS 3 Cb -0.02 -3.64 -0.09 0.00 0.00 0.00 0.00 37.83 34.07 1wpk s LYS 3 CO -0.00 -0.80 1.03 0.00 0.00 0.00 0.00 175.35 175.58 1wpk s ALA 4 N 1.43 3.36 0.00 0.59 0.00 -1.26 -4.89 121.76 121.00 1wpk s ALA 4 Ca 0.01 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1wpk s ALA 4 Cb -0.21 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1wpk s ALA 4 CO 0.03 -0.01 0.00 -2.37 0.00 0.00 0.00 175.76 173.41 1wpk n THR 5 N 1.24 0.00 -1.25 0.00 5.66 -1.22 -4.77 114.28 113.94 1wpk n THR 5 Ca -0.01 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.75 1wpk n THR 5 Cb 0.46 0.00 0.19 0.00 -1.55 0.00 0.00 70.33 69.43 1wpk n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wpk n LEU 7 N 0.00 0.51 -3.50 0.00 7.99 -1.26 -4.93 117.00 115.80 1wpk n LEU 7 Ca 0.13 0.02 -0.13 0.00 -0.01 0.00 0.00 56.01 56.01 1wpk n LEU 7 Cb 0.47 -0.24 -0.04 0.00 -0.11 0.00 0.00 43.42 43.50 1wpk n LEU 7 CO 0.33 0.11 0.34 0.28 -1.51 0.00 0.00 177.39 176.95 1wpk s THR 8 N -3.01 0.02 0.40 -5.08 -1.32 -1.26 -5.03 115.64 100.34 1wpk s THR 8 Ca 0.11 -0.14 0.09 0.00 -1.21 0.00 0.00 61.69 60.54 1wpk s THR 8 Cb 0.17 -1.01 0.30 0.00 -1.51 0.00 0.00 72.50 70.45 1wpk s THR 8 CO 0.70 -0.08 1.99 -2.24 -2.21 0.00 0.00 174.62 172.78 1wpk h ASP 9 N 2.42 0.53 -0.27 8.08 2.03 -2.00 -1.91 116.42 125.30 1wpk h ASP 9 Ca -0.32 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.89 1wpk h ASP 9 Cb 1.25 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 1wpk h ASP 9 CO 0.40 0.34 -0.18 -0.78 -1.03 0.00 0.00 179.24 177.99 1wpk h ASP 10 N 0.60 0.63 0.11 4.15 1.82 -2.00 -2.90 116.42 118.82 1wpk h ASP 10 Ca 0.27 -0.43 -0.03 0.00 -0.39 0.00 0.00 57.03 56.44 1wpk h ASP 10 Cb 0.29 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1wpk h ASP 10 CO -0.08 0.93 -0.14 1.56 -1.61 0.00 0.00 179.24 179.90 1wpk h GLN 11 N 0.33 0.06 0.45 0.28 7.50 -1.81 -2.84 115.11 119.09 1wpk h GLN 11 Ca 0.05 -0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.17 1wpk h GLN 11 Cb 0.71 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.24 1wpk h GLN 11 CO 0.05 0.20 -0.22 0.00 -1.50 0.00 0.00 178.83 177.36 1wpk h ARG 12 N 0.06 -0.59 -0.48 1.46 -0.00 -1.21 -2.63 114.38 110.99 1wpk h ARG 12 Ca 0.01 0.04 0.14 0.00 -0.50 0.00 0.00 59.98 59.67 1wpk h ARG 12 Cb 0.28 0.13 -0.02 0.00 0.00 0.00 0.00 29.97 30.37 1wpk h ARG 12 CO 0.02 -0.30 0.45 2.35 0.00 0.00 0.00 179.97 182.49 1wpk h TRP 13 N -0.83 0.00 0.46 3.04 -0.00 -1.34 -1.54 115.95 115.74 1wpk h TRP 13 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.81 1wpk h TRP 13 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.73 1wpk h TRP 13 CO -0.00 0.00 -0.22 1.96 -0.00 0.00 0.00 178.44 180.18 1wpk h GLN 14 N 0.00 -0.59 -0.22 2.65 7.50 -1.24 0.12 115.11 123.33 1wpk h GLN 14 Ca 0.23 0.04 -0.00 0.00 0.50 0.00 0.00 58.65 59.41 1wpk h GLN 14 Cb 1.13 0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.78 1wpk h GLN 14 CO -0.00 -0.35 0.11 0.77 -1.50 0.00 0.00 178.83 177.86 1wpk h SER 15 N -0.70 0.26 -0.19 1.46 0.02 -1.22 0.68 113.55 113.86 1wpk h SER 15 Ca -0.06 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.72 1wpk h SER 15 Cb 0.51 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1wpk h SER 15 CO 0.10 0.21 -0.49 0.58 -1.14 0.00 0.00 176.83 176.10 1wpk h VAL 16 N 0.30 1.32 -0.04 2.27 2.07 -1.21 -2.91 116.25 118.05 1wpk h VAL 16 Ca 0.08 -1.72 -0.14 0.00 0.82 0.00 0.00 66.70 65.73 1wpk h VAL 16 Cb 0.01 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1wpk h VAL 16 CO -0.01 0.54 -0.61 -0.07 0.02 0.00 0.00 177.57 177.43 1wpk h LEU 17 N 0.35 0.18 0.00 2.57 -0.00 -0.25 -2.83 115.31 115.33 1wpk h LEU 17 Ca -0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1wpk h LEU 17 Cb 1.10 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1wpk h LEU 17 CO 0.11 0.75 0.00 0.00 -0.00 0.00 0.00 178.44 179.30 1wpk n ALA 18 N -2.45 2.18 -2.60 1.53 0.00 0.19 -4.88 120.51 114.47 1wpk n ALA 18 Ca -0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 1wpk n ALA 18 Cb 0.62 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.67 1wpk n ALA 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1wpk n ARG 19 N -1.38 -2.71 -1.55 0.00 1.85 -1.07 -4.77 116.66 107.03 1wpk n ARG 19 Ca 0.09 0.20 -0.44 0.00 -1.00 0.00 0.00 57.85 56.70 1wpk n ARG 19 Cb 0.23 -4.74 -0.04 0.00 -1.05 0.00 0.00 32.46 26.86 1wpk n ARG 19 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1wpk n ASP 20 N -1.66 2.75 0.12 2.89 2.03 -1.24 -4.79 116.55 116.65 1wpk n ASP 20 Ca -0.04 0.14 0.11 0.00 0.52 0.00 0.00 54.79 55.51 1wpk n ASP 20 Cb 0.53 -1.47 0.48 0.00 -0.72 0.00 0.00 41.12 39.94 1wpk n ASP 20 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wpk n PRO 21 N 8.66 0.15 -1.04 -0.67 -0.04 -1.26 -2.27 135.00 138.53 1wpk n PRO 21 Ca 0.35 0.47 -0.20 0.00 -0.04 0.00 0.00 63.50 64.07 1wpk n PRO 21 Cb 0.40 -1.85 0.15 0.00 -0.04 0.00 0.00 33.50 32.16 1wpk n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wpk n ASN 22 N -2.15 3.66 -1.81 3.54 3.02 -1.26 -4.40 115.26 115.86 1wpk n ASN 22 Ca 0.01 -3.36 -0.08 0.00 -0.03 0.00 0.00 54.58 51.12 1wpk n ASN 22 Cb 0.16 -0.79 0.23 0.00 -0.61 0.00 0.00 39.78 38.77 1wpk n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wpk n ALA 23 N -0.89 4.35 -1.55 5.41 0.00 -0.96 -4.91 120.51 121.96 1wpk n ALA 23 Ca 0.51 -1.95 -0.21 0.00 0.00 0.00 0.00 53.44 51.79 1wpk n ALA 23 Cb 1.49 -1.24 -0.09 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.21 1.41 0.00 0.00 8.00 -1.26 0.54 116.55 125.03 1wpk n ASP 24 Ca 0.36 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1wpk n ASP 24 Cb 1.24 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 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 6.45 0.61 0.00 0.44 0.00 -1.26 -5.04 105.19 106.38 1wpk n GLY 25 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -3.64 1.61 4.71 0.19 -4.68 120.64 118.83 1wpk n GLU 26 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 1wpk n GLU 26 Cb 0.00 -0.52 -0.07 0.00 -1.01 0.00 0.00 31.44 29.85 1wpk n GLU 26 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 1wpk s PHE 27 N -0.23 -0.32 -0.04 -0.32 -0.71 -1.19 -3.41 117.98 111.76 1wpk s PHE 27 Ca 0.00 0.77 -0.20 0.00 -1.04 0.00 0.00 56.93 56.46 1wpk s PHE 27 Cb 0.00 0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 42.17 1wpk s PHE 27 CO 0.00 -0.16 0.56 0.14 -1.34 0.00 0.00 175.22 174.43 1wpk s VAL 28 N 0.11 5.00 -0.27 -2.49 -7.23 0.12 -3.91 120.40 111.73 1wpk s VAL 28 Ca 0.05 1.16 -0.19 0.00 -1.81 0.00 0.00 61.98 61.19 1wpk s VAL 28 Cb -0.05 -3.90 -0.02 0.00 0.56 0.00 0.00 36.38 32.97 1wpk s VAL 28 CO -0.09 0.39 0.57 -0.36 -0.31 0.00 0.00 175.10 175.29 1wpk s PHE 29 N 0.06 3.26 -0.05 2.82 0.08 -1.26 -0.64 117.98 122.24 1wpk s PHE 29 Ca 0.30 0.65 -0.21 0.00 0.12 0.00 0.00 56.93 57.79 1wpk s PHE 29 Cb -0.17 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 1wpk s PHE 29 CO 0.15 -0.34 0.62 0.00 -0.10 0.00 0.00 175.22 175.55 1wpk s ALA 30 N 2.42 3.41 -0.38 5.36 0.00 0.25 -4.02 121.76 128.81 1wpk s ALA 30 Ca 0.23 0.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 1wpk s ALA 30 Cb -0.15 -2.82 0.02 0.00 0.00 0.00 0.00 23.12 20.16 1wpk s ALA 30 CO 0.10 0.01 0.24 0.08 0.00 0.00 0.00 175.76 176.19 1wpk s VAL 31 N 0.42 4.89 0.23 0.00 1.01 0.51 0.26 120.40 127.72 1wpk s VAL 31 Ca 0.33 -0.71 0.20 0.00 0.00 0.00 0.00 61.98 61.80 1wpk s VAL 31 Cb -0.17 -3.70 0.17 0.00 0.00 0.00 0.00 36.38 32.68 1wpk s VAL 31 CO 0.16 -0.23 1.82 -0.09 0.00 0.00 0.00 175.10 176.76 1wpk h ARG 32 N 8.51 0.00 0.38 2.72 1.12 -1.85 1.16 114.38 126.42 1wpk h ARG 32 Ca -0.27 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.58 1wpk h ARG 32 Cb 1.12 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.08 1wpk h ARG 32 CO 0.69 0.31 -0.18 1.79 -3.11 0.00 0.00 179.97 179.46 1wpk h THR 33 N 0.00 0.00 0.00 0.20 1.35 -1.89 -3.35 112.91 109.22 1wpk h THR 33 Ca -0.00 -0.41 -0.05 0.00 -0.55 0.00 0.00 66.41 65.39 1wpk h THR 33 Cb 0.74 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 1wpk h THR 33 CO 0.04 0.00 -0.62 0.71 -0.25 0.00 0.00 175.52 175.40 1wpk h THR 34 N -0.92 0.27 -1.09 6.82 1.35 -1.89 -3.48 112.91 113.97 1wpk h THR 34 Ca -0.05 -1.43 -0.02 0.00 -0.55 0.00 0.00 66.41 64.36 1wpk h THR 34 Cb 0.39 1.96 0.01 0.00 -1.73 0.00 0.00 68.15 68.77 1wpk h THR 34 CO 0.08 0.15 -0.04 0.61 -0.25 0.00 0.00 175.52 176.08 1wpk n GLY 35 N 1.20 0.78 3.25 5.82 0.00 0.40 -4.95 105.19 111.68 1wpk n GLY 35 Ca 0.00 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.86 1.46 0.18 -0.61 -4.36 -0.96 -1.08 121.20 112.98 1wpk s ILE 36 Ca 0.03 -1.64 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 1wpk s ILE 36 Cb -0.01 -1.51 -0.00 0.00 1.25 0.00 0.00 42.46 42.19 1wpk s ILE 36 CO 0.03 -0.29 0.01 2.22 0.24 0.00 0.00 174.94 177.16 1wpk n PHE 37 N 0.74 0.36 -2.57 1.37 -1.74 0.40 0.19 117.46 116.21 1wpk n PHE 37 Ca -0.17 -0.92 -0.22 0.00 -0.56 0.00 0.00 57.45 55.58 1wpk n PHE 37 Cb 0.56 -0.10 0.05 0.00 1.52 0.00 0.00 39.48 41.51 1wpk n PHE 37 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1wpk s ARG 39 N -2.65 2.36 0.23 3.97 1.81 -1.18 -1.40 118.95 122.09 1wpk s ARG 39 Ca 0.01 -0.77 -0.15 0.00 -1.72 0.00 0.00 55.73 53.10 1wpk s ARG 39 Cb 0.00 -2.42 0.27 0.00 -0.45 0.00 0.00 34.95 32.35 1wpk s ARG 39 CO 0.01 -0.90 1.57 -1.35 -0.68 0.00 0.00 175.30 173.95 1wpk h PRO 40 N -0.11 -0.04 0.00 3.54 0.11 -1.76 -3.38 132.00 130.36 1wpk h PRO 40 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1wpk h PRO 40 Cb 1.29 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1wpk h PRO 40 CO 0.51 -0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.15 1wpk n SER 41 N -5.50 0.00 -0.99 -2.05 3.41 -1.26 -3.15 113.62 104.08 1wpk n SER 41 Ca 0.10 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.81 1wpk n SER 41 Cb 0.41 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 1wpk n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wpk n ARG 43 N -3.43 0.45 -4.30 0.00 0.63 -1.26 -4.63 116.66 104.12 1wpk n ARG 43 Ca -0.06 -1.48 -0.33 0.00 -0.92 0.00 0.00 57.85 55.06 1wpk n ARG 43 Cb 0.45 -0.94 -0.16 0.00 0.45 0.00 0.00 32.46 32.27 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 0.73 2.39 -0.60 5.13 0.00 -1.26 -5.04 121.76 123.11 1wpk s ALA 44 Ca 0.29 -1.16 -0.26 0.00 0.00 0.00 0.00 51.96 50.83 1wpk s ALA 44 Cb 0.12 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1wpk s ALA 44 CO -0.12 -0.23 2.03 1.03 0.00 0.00 0.00 175.76 178.48 1wpk s ARG 45 N 1.12 2.44 -0.12 0.00 3.00 -1.26 -4.54 118.95 119.59 1wpk s ARG 45 Ca 0.00 0.77 0.05 0.00 0.00 0.00 0.00 55.73 56.56 1wpk s ARG 45 Cb -0.14 -4.50 0.15 0.00 0.00 0.00 0.00 34.95 30.46 1wpk s ARG 45 CO -0.07 -2.98 1.06 1.58 0.00 0.00 0.00 175.30 174.89 1wpk n HIS 46 N 13.88 -0.75 0.00 -0.53 -0.00 -1.26 -5.09 115.22 121.47 1wpk n HIS 46 Ca 0.27 -0.85 0.00 0.00 0.46 0.00 0.00 57.72 57.59 1wpk n HIS 46 Cb 0.52 0.87 0.00 0.00 -0.12 0.00 0.00 29.99 31.26 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 -0.57 0.00 -0.93 1.57 0.00 -1.26 -4.86 120.51 114.46 1wpk n ALA 47 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 1wpk n ALA 47 Cb 0.71 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.33 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 1.99 0.60 0.00 1.43 -1.26 -4.69 118.68 116.75 1wpk s LEU 48 Ca 0.00 1.63 0.29 0.00 -1.03 0.00 0.00 54.13 55.02 1wpk s LEU 48 Cb 0.00 -3.90 1.58 0.00 0.03 0.00 0.00 46.19 43.90 1wpk s LEU 48 CO 0.00 -3.15 1.98 0.08 0.23 0.00 0.00 176.35 175.49 1wpk h ARG 49 N -1.90 0.00 -0.51 1.70 0.11 -2.02 0.35 114.38 112.10 1wpk h ARG 49 Ca -0.51 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.34 1wpk h ARG 49 Cb 1.29 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.24 1wpk h ARG 49 CO 0.51 0.00 0.12 -0.85 0.10 0.00 0.00 179.97 179.85 1wpk n GLU 50 N -3.62 2.27 -0.51 0.08 -0.00 -1.26 -4.37 120.64 113.22 1wpk n GLU 50 Ca 0.04 -3.09 0.00 0.00 -0.00 0.00 0.00 57.16 54.11 1wpk n GLU 50 Cb 0.49 -1.94 -0.00 0.00 -0.00 0.00 0.00 31.44 30.00 1wpk n GLU 50 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1wpk n ASN 51 N -0.95 0.01 -3.97 -1.84 3.02 0.12 -5.10 115.26 106.55 1wpk n ASN 51 Ca 0.38 -1.70 -0.11 0.00 -0.03 0.00 0.00 54.58 53.12 1wpk n ASN 51 Cb 1.18 -0.14 -0.12 0.00 -0.61 0.00 0.00 39.78 40.09 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 0.00 0.21 0.25 2.41 0.11 -1.08 -3.30 120.40 119.01 1wpk s VAL 52 Ca 0.00 -0.65 0.09 0.00 -2.93 0.00 0.00 61.98 58.49 1wpk s VAL 52 Cb 0.00 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1wpk s VAL 52 CO -0.00 -0.28 0.01 -0.44 -3.33 0.00 0.00 175.10 171.05 1wpk s SER 53 N -0.99 4.64 -0.13 3.54 0.01 0.14 -4.88 113.70 116.03 1wpk s SER 53 Ca -0.09 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.62 1wpk s SER 53 Cb -0.07 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.26 1wpk s SER 53 CO -0.00 0.02 -0.20 -0.36 0.41 0.00 0.00 173.24 173.10 1wpk s PHE 54 N -2.18 2.68 -0.02 2.43 0.40 -1.26 0.88 117.98 120.90 1wpk s PHE 54 Ca 0.30 -1.09 0.06 0.00 -0.60 0.00 0.00 56.93 55.61 1wpk s PHE 54 Cb -0.07 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 1wpk s PHE 54 CO 0.20 -0.47 -0.20 0.71 0.70 0.00 0.00 175.22 176.17 1wpk s TYR 55 N 0.60 1.78 0.18 0.36 2.02 0.19 -4.96 117.35 117.51 1wpk s TYR 55 Ca -0.11 -0.37 -0.13 0.00 -0.37 0.00 0.00 57.07 56.09 1wpk s TYR 55 Cb -0.16 -1.15 0.08 0.00 -0.40 0.00 0.00 41.96 40.32 1wpk s TYR 55 CO 0.03 -0.05 1.80 0.00 -1.57 0.00 0.00 175.55 175.76 1wpk h ALA 56 N 5.74 0.75 -2.29 3.71 0.00 -1.86 0.33 119.26 125.64 1wpk h ALA 56 Ca -0.37 -0.09 -0.38 0.00 0.00 0.00 0.00 54.91 54.07 1wpk h ALA 56 Cb 1.15 -0.23 -0.14 0.00 0.00 0.00 0.00 17.79 18.56 1wpk h ALA 56 CO 0.48 0.25 -0.60 1.21 0.00 0.00 0.00 179.25 180.58 1wpk s ASN 57 N -5.86 1.39 0.22 0.00 2.47 -1.26 -4.30 114.94 107.60 1wpk s ASN 57 Ca -0.13 -1.42 0.07 0.00 0.42 0.00 0.00 52.86 51.80 1wpk s ASN 57 Cb 0.13 0.19 0.16 0.00 -1.45 0.00 0.00 41.25 40.27 1wpk s ASN 57 CO 0.77 -0.75 1.49 0.00 -3.72 0.00 0.00 177.10 174.89 1wpk h ALA 58 N 2.32 0.74 -0.01 1.71 0.00 -1.96 -3.07 119.26 118.98 1wpk h ALA 58 Ca -0.38 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 53.79 1wpk h ALA 58 Cb 1.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1wpk h ALA 58 CO 0.60 0.87 -0.41 0.66 0.00 0.00 0.00 179.25 180.97 1wpk h SER 59 N 0.06 0.02 0.02 0.00 4.64 -1.98 -0.32 113.55 116.00 1wpk h SER 59 Ca -0.02 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1wpk h SER 59 Cb 1.30 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1wpk h SER 59 CO 0.10 0.43 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.16 1wpk h GLU 60 N 0.02 -0.03 -0.38 4.77 4.39 -1.96 -2.38 114.58 119.01 1wpk h GLU 60 Ca -0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1wpk h GLU 60 Cb 0.73 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1wpk h GLU 60 CO 0.05 0.52 -0.10 0.00 -1.16 0.00 0.00 179.01 178.32 1wpk h ALA 61 N 0.35 0.53 -0.39 3.43 0.00 -1.50 -2.88 119.26 118.80 1wpk h ALA 61 Ca -0.00 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1wpk h ALA 61 Cb 0.56 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1wpk h ALA 61 CO 0.00 0.40 0.21 1.25 0.00 0.00 0.00 179.25 181.12 1wpk h LEU 62 N 0.55 0.32 -1.47 0.00 6.46 -1.14 -2.07 115.31 117.97 1wpk h LEU 62 Ca 0.10 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.90 1wpk h LEU 62 Cb 0.63 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 1wpk h LEU 62 CO 0.04 0.23 0.39 0.00 -0.62 0.00 0.00 178.44 178.48 1wpk h ALA 63 N 1.19 1.68 0.00 1.25 0.00 -1.39 -0.09 119.26 121.90 1wpk h ALA 63 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wpk h ALA 63 Cb 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1wpk h ALA 63 CO -0.10 0.26 -0.02 0.00 0.00 0.00 0.00 179.25 179.39 1wpk h ALA 64 N 1.65 1.08 0.00 0.00 0.00 -1.15 -3.45 119.26 117.39 1wpk h ALA 64 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1wpk h ALA 64 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wpk h ALA 64 CO -0.06 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1wpk n GLY 65 N -0.72 0.72 3.12 0.00 0.00 -0.06 -5.12 105.19 103.13 1wpk n GLY 65 Ca -0.02 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.61 0.86 -0.12 1.61 0.40 -1.16 -4.97 117.98 113.98 1wpk s PHE 66 Ca 0.00 -0.62 -0.14 0.00 -0.60 0.00 0.00 56.93 55.57 1wpk s PHE 66 Cb 0.00 -0.49 -0.05 0.00 0.51 0.00 0.00 43.02 42.99 1wpk s PHE 66 CO 0.00 -0.07 0.33 1.03 0.70 0.00 0.00 175.22 177.22 1wpk s ARG 67 N -2.34 4.14 0.45 0.44 0.52 -0.24 -4.45 118.95 117.46 1wpk s ARG 67 Ca -0.01 0.20 -0.22 0.00 -0.52 0.00 0.00 55.73 55.18 1wpk s ARG 67 Cb -0.05 -3.37 -0.09 0.00 0.52 0.00 0.00 34.95 31.96 1wpk s ARG 67 CO -0.01 0.36 1.04 -1.25 0.02 0.00 0.00 175.30 175.46 1wpk s PRO 68 N 0.07 3.97 -0.27 3.54 0.04 -1.26 0.15 135.00 141.24 1wpk s PRO 68 Ca 0.19 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.65 1wpk s PRO 68 Cb -0.14 -2.28 0.05 0.00 0.04 0.00 0.00 34.50 32.17 1wpk s PRO 68 CO 0.07 -0.29 -0.07 0.00 0.04 0.00 0.00 177.00 176.74 1wpk n LYS 70 N 4.54 0.30 -1.02 0.00 5.02 -1.26 -3.12 118.16 122.62 1wpk n LYS 70 Ca -0.14 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.14 1wpk n LYS 70 Cb 0.44 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.44 1wpk n LYS 70 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1wpk n ARG 71 N -0.95 -0.37 -2.65 1.97 0.63 -1.26 -4.88 116.66 109.15 1wpk n ARG 71 Ca 0.00 0.18 -0.06 0.00 -0.92 0.00 0.00 57.85 57.05 1wpk n ARG 71 Cb 0.00 -3.52 0.04 0.00 0.45 0.00 0.00 32.46 29.43 1wpk n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wpk n GLN 73 N -0.61 -3.28 -0.02 0.00 1.13 -1.26 -3.80 117.38 109.54 1wpk n GLN 73 Ca 0.15 2.63 -0.16 0.00 -1.94 0.00 0.00 57.00 57.68 1wpk n GLN 73 Cb 0.84 -4.25 -0.09 0.00 0.11 0.00 0.00 30.24 26.84 1wpk n GLN 73 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1wpk h PRO 74 N 3.73 0.45 0.00 -1.09 0.13 -1.96 -3.40 132.00 129.87 1wpk h PRO 74 Ca -0.21 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1wpk h PRO 74 Cb 0.59 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1wpk h PRO 74 CO 0.04 1.04 0.00 -1.91 -0.23 0.00 0.00 178.00 176.95 1wpk n GLU 75 N -4.26 0.00 0.15 0.86 4.07 -1.26 -4.63 120.64 115.57 1wpk n GLU 75 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1wpk n GLU 75 Cb 0.60 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.98 1wpk n GLU 75 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1wpk n LYS 76 N -2.80 0.00 -2.29 5.31 5.02 -1.26 -4.79 118.16 117.35 1wpk n LYS 76 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wpk n LYS 76 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1wpk n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wpk n ALA 77 N -3.30 -2.03 -3.60 7.82 0.00 -1.26 -5.09 120.51 113.04 1wpk n ALA 77 Ca 0.00 0.48 -0.09 0.00 0.00 0.00 0.00 53.44 53.84 1wpk n ALA 77 Cb 0.00 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 17.94 1wpk n ALA 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wpk s ASN 78 N -0.58 -0.33 0.11 0.00 4.22 -1.26 -5.10 114.94 111.99 1wpk s ASN 78 Ca 0.00 0.45 0.00 0.00 -2.14 0.00 0.00 52.86 51.17 1wpk s ASN 78 Cb 0.00 0.39 0.00 0.00 1.28 0.00 0.00 41.25 42.92 1wpk s ASN 78 CO 0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 177.10 174.81 1wpk n ALA 79 N 1.10 2.42 -4.04 3.54 0.00 -1.26 -5.09 120.51 117.18 1wpk n ALA 79 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 1wpk n ALA 79 Cb 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 1wpk n ALA 79 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1wpk s GLN 80 N -1.32 2.67 -0.04 0.00 -2.07 -1.26 -4.92 119.66 112.73 1wpk s GLN 80 Ca 0.00 -1.05 0.03 0.00 -1.82 0.00 0.00 55.36 52.51 1wpk s GLN 80 Cb 0.00 -2.76 0.06 0.00 -1.09 0.00 0.00 33.01 29.23 1wpk s GLN 80 CO 0.00 -0.38 1.06 1.04 -1.32 0.00 0.00 175.29 175.69 1wpk n GLN 81 N 4.55 0.15 0.08 9.60 1.13 -1.26 -4.94 117.38 126.69 1wpk n GLN 81 Ca -0.18 -1.08 0.00 0.00 -1.94 0.00 0.00 57.00 53.81 1wpk n GLN 81 Cb 0.46 0.46 0.00 0.00 0.11 0.00 0.00 30.24 31.28 1wpk n GLN 81 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1wpk n HIS 82 N -0.14 -1.38 -0.19 1.08 -0.00 -1.26 -4.69 115.22 108.64 1wpk n HIS 82 Ca -0.25 0.24 -0.08 0.00 0.46 0.00 0.00 57.72 58.09 1wpk n HIS 82 Cb 0.74 0.54 0.02 0.00 -0.12 0.00 0.00 29.99 31.17 1wpk n HIS 82 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wpk h ARG 83 N 0.00 0.83 0.00 1.57 3.08 -1.98 -1.94 114.38 115.95 1wpk h ARG 83 Ca 0.00 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 59.77 1wpk h ARG 83 Cb 0.01 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1wpk h ARG 83 CO 0.00 0.73 -0.60 1.25 -1.07 0.00 0.00 179.97 180.28 1wpk h LEU 84 N 0.75 0.00 -0.95 3.04 6.46 -1.92 -3.03 115.31 119.67 1wpk h LEU 84 Ca 0.18 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.84 1wpk h LEU 84 Cb 0.22 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1wpk h LEU 84 CO -0.01 0.60 -0.41 -0.78 -0.62 0.00 0.00 178.44 177.22 1wpk h ASP 85 N 0.00 0.24 0.34 1.25 3.58 -1.75 -2.22 116.42 117.86 1wpk h ASP 85 Ca -0.01 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 1wpk h ASP 85 Cb 1.11 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1wpk h ASP 85 CO 0.08 0.63 -0.16 0.11 -2.88 0.00 0.00 179.24 177.02 1wpk h LYS 86 N 0.19 -0.44 -0.69 0.28 1.57 -1.25 -2.86 116.57 113.37 1wpk h LYS 86 Ca 0.02 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1wpk h LYS 86 Cb 0.82 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 1wpk h LYS 86 CO 0.06 -0.14 0.46 -0.84 -0.57 0.00 0.00 179.45 178.42 1wpk h ILE 87 N -0.98 0.91 -0.79 1.86 -0.00 -1.58 -0.35 117.51 116.58 1wpk h ILE 87 Ca -0.05 -0.19 -0.03 0.00 -0.00 0.00 0.00 64.86 64.60 1wpk h ILE 87 Cb 0.51 0.32 -0.04 0.00 -0.00 0.00 0.00 36.82 37.61 1wpk h ILE 87 CO 0.08 0.10 0.39 0.74 -0.00 0.00 0.00 178.15 179.45 1wpk h THR 88 N 0.55 1.25 -0.08 0.16 2.02 -1.42 0.64 112.91 116.03 1wpk h THR 88 Ca 0.32 -0.68 -0.11 0.00 0.77 0.00 0.00 66.41 66.70 1wpk h THR 88 Cb 0.51 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1wpk h THR 88 CO -0.10 0.29 -0.47 -0.74 0.37 0.00 0.00 175.52 174.87 1wpk h HIS 89 N 1.13 0.22 -0.09 3.16 2.76 -0.85 -2.89 115.15 118.60 1wpk h HIS 89 Ca 0.27 -0.07 -0.12 0.00 -2.20 0.00 0.00 60.37 58.26 1wpk h HIS 89 Cb 0.10 -0.05 0.01 0.00 1.55 0.00 0.00 27.41 29.02 1wpk h HIS 89 CO 0.01 0.62 -0.43 0.00 -1.30 0.00 0.00 177.93 176.83 1wpk h ALA 90 N 1.37 0.17 -0.74 5.26 0.00 -0.64 -1.68 119.26 122.99 1wpk h ALA 90 Ca 0.01 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 54.51 1wpk h ALA 90 Cb 0.88 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1wpk h ALA 90 CO 0.07 0.30 0.42 0.00 0.00 0.00 0.00 179.25 180.04 1wpk h ARG 92 N 0.75 0.12 -0.32 0.00 3.08 -1.56 -2.35 114.38 114.10 1wpk h ARG 92 Ca 0.34 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.19 1wpk h ARG 92 Cb 0.25 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1wpk h ARG 92 CO -0.21 0.83 -0.15 1.25 -1.07 0.00 0.00 179.97 180.62 1wpk h LEU 93 N 0.07 0.69 -0.78 3.04 6.46 -0.29 -3.06 115.31 121.45 1wpk h LEU 93 Ca -0.02 -0.40 -0.13 0.00 -0.12 0.00 0.00 57.88 57.20 1wpk h LEU 93 Cb 1.35 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 1wpk h LEU 93 CO 0.11 0.94 -0.57 0.25 -0.62 0.00 0.00 178.44 178.55 1wpk h LEU 94 N 0.44 0.14 -9.08 2.25 6.46 -0.75 -3.42 115.31 111.34 1wpk h LEU 94 Ca 0.07 -0.08 -0.56 0.00 -0.12 0.00 0.00 57.88 57.19 1wpk h LEU 94 Cb 0.68 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 1wpk h LEU 94 CO 0.05 0.68 1.06 -0.70 -0.62 0.00 0.00 178.44 178.90 1wpk s GLU 95 N -3.78 3.95 0.13 1.25 2.12 -0.89 -4.72 118.70 116.77 1wpk s GLU 95 Ca -0.03 1.67 -0.19 0.00 0.36 0.00 0.00 54.97 56.78 1wpk s GLU 95 Cb 0.13 -3.95 0.07 0.00 0.26 0.00 0.00 34.13 30.63 1wpk s GLU 95 CO 0.78 -1.09 0.91 0.00 -0.54 0.00 0.00 175.26 175.32 1wpk n GLN 96 N 7.34 0.50 0.09 4.30 10.64 -1.26 -4.91 117.38 134.07 1wpk n GLN 96 Ca 0.17 -1.18 -0.14 0.00 -1.83 0.00 0.00 57.00 54.02 1wpk n GLN 96 Cb 0.45 1.62 -0.14 0.00 -0.86 0.00 0.00 30.24 31.32 1wpk n GLN 96 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1wpk h GLU 97 N 0.00 0.21 -5.99 2.61 5.08 -1.99 -3.45 114.58 111.04 1wpk h GLU 97 Ca -0.22 -0.35 -0.61 0.00 -1.00 0.00 0.00 59.36 57.17 1wpk h GLU 97 Cb 1.02 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1wpk h GLU 97 CO 0.30 1.16 -0.26 0.99 -1.00 0.00 0.00 179.01 180.20 1wpk s THR 98 N -2.66 5.13 0.72 1.13 2.01 -1.26 -5.06 115.64 115.65 1wpk s THR 98 Ca -0.03 0.58 -0.16 0.00 0.31 0.00 0.00 61.69 62.39 1wpk s THR 98 Cb 0.08 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1wpk s THR 98 CO 0.87 0.47 0.62 -2.65 -0.69 0.00 0.00 174.62 173.24 1wpk n PRO 99 N 1.48 0.33 -4.58 4.92 -0.02 -1.26 -5.02 135.00 130.85 1wpk n PRO 99 Ca -0.13 0.16 -0.22 0.00 -2.02 0.00 0.00 63.50 61.29 1wpk n PRO 99 Cb 0.53 -1.91 -0.15 0.00 -0.02 0.00 0.00 33.50 31.94 1wpk n PRO 99 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wpk s VAL 100 N -1.90 1.03 0.52 -1.45 1.01 -1.26 -5.09 120.40 113.26 1wpk s VAL 100 Ca 0.67 -0.52 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 1wpk s VAL 100 Cb -0.35 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 1wpk s VAL 100 CO 0.56 0.30 0.95 -0.89 0.00 0.00 0.00 175.10 176.03 1wpk s THR 101 N -0.06 4.64 0.02 3.92 2.01 -1.26 -5.00 115.64 119.90 1wpk s THR 101 Ca 0.00 0.98 -0.25 0.00 0.31 0.00 0.00 61.69 62.73 1wpk s THR 101 Cb -0.08 -3.77 -0.17 0.00 0.01 0.00 0.00 72.50 68.49 1wpk s THR 101 CO 0.00 -0.79 1.37 0.25 -0.69 0.00 0.00 174.62 174.77 1wpk h LEU 102 N 0.62 -0.20 -2.04 4.42 5.85 -2.01 -2.93 115.31 119.01 1wpk h LEU 102 Ca -0.46 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 1wpk h LEU 102 Cb 1.19 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1wpk h LEU 102 CO 0.62 0.12 -0.06 1.05 -0.34 0.00 0.00 178.44 179.83 1wpk h GLU 103 N -0.53 0.00 -0.63 1.25 4.11 -1.98 -2.19 114.58 114.62 1wpk h GLU 103 Ca -0.02 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.48 1wpk h GLU 103 Cb 0.40 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1wpk h GLU 103 CO 0.04 0.06 0.31 0.00 0.07 0.00 0.00 179.01 179.48 1wpk h ALA 104 N 1.94 0.83 -0.19 1.06 0.00 -1.91 0.52 119.26 121.51 1wpk h ALA 104 Ca -0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1wpk h ALA 104 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1wpk h ALA 104 CO 0.01 -0.06 -0.17 -0.07 0.00 0.00 0.00 179.25 178.95 1wpk h LEU 105 N 0.56 0.31 -1.22 0.00 4.07 -1.40 -1.34 115.31 116.28 1wpk h LEU 105 Ca 0.30 -0.08 -0.07 0.00 0.08 0.00 0.00 57.88 58.11 1wpk h LEU 105 Cb 0.26 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1wpk h LEU 105 CO -0.23 0.51 -0.33 0.00 -1.08 0.00 0.00 178.44 177.31 1wpk h ALA 106 N 1.53 1.17 -0.23 1.53 0.00 -0.44 -2.74 119.26 120.08 1wpk h ALA 106 Ca 0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1wpk h ALA 106 Cb 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1wpk h ALA 106 CO 0.03 0.42 -0.07 0.22 0.00 0.00 0.00 179.25 179.85 1wpk h ASP 107 N 0.00 0.45 -0.38 0.00 1.82 0.10 0.28 116.42 118.70 1wpk h ASP 107 Ca -0.00 -0.38 -0.10 0.00 -0.39 0.00 0.00 57.03 56.16 1wpk h ASP 107 Cb 0.72 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.59 1wpk h ASP 107 CO 0.04 0.73 -0.12 -0.61 -1.61 0.00 0.00 179.24 177.67 1wpk h GLN 108 N 0.18 0.84 0.00 0.28 -0.00 -1.40 -2.80 115.11 112.20 1wpk h GLN 108 Ca 0.06 -0.29 0.00 0.00 -0.00 0.00 0.00 58.65 58.42 1wpk h GLN 108 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 27.95 1wpk h GLN 108 CO 0.02 0.91 -0.18 -0.39 0.00 0.00 0.00 178.83 179.20 1wpk h VAL 109 N 0.75 0.00 -2.37 2.39 -1.51 -1.45 -3.47 116.25 110.58 1wpk h VAL 109 Ca 0.12 -0.89 -0.25 0.00 -1.23 0.00 0.00 66.70 64.46 1wpk h VAL 109 Cb 0.62 1.79 0.01 0.00 -2.13 0.00 0.00 31.29 31.59 1wpk h VAL 109 CO 0.04 0.00 -0.35 0.00 -1.23 0.00 0.00 177.57 176.03 1wpk n ALA 110 N -2.04 -0.48 -2.24 5.19 0.00 0.91 -5.02 120.51 116.83 1wpk n ALA 110 Ca 0.04 0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.52 1wpk n ALA 110 Cb 0.51 -2.07 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 1wpk n ALA 110 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wpk s MET 111 N -4.94 0.75 1.04 0.00 -1.94 -0.69 -5.03 119.30 108.48 1wpk s MET 111 Ca 0.10 -1.24 -0.12 0.00 -1.71 0.00 0.00 55.69 52.72 1wpk s MET 111 Cb -0.04 -0.13 0.21 0.00 2.01 0.00 0.00 34.83 36.88 1wpk s MET 111 CO 0.12 -0.03 1.07 -1.12 -0.01 0.00 0.00 175.02 175.05 1wpk s SER 112 N -2.84 2.10 0.21 3.03 0.01 -1.26 -4.54 113.70 110.41 1wpk s SER 112 Ca 0.08 1.60 0.18 0.00 1.31 0.00 0.00 55.95 59.12 1wpk s SER 112 Cb 0.04 -2.27 0.87 0.00 0.21 0.00 0.00 66.02 64.87 1wpk s SER 112 CO -0.05 -3.52 1.56 -0.81 0.41 0.00 0.00 173.24 170.83 1wpk n PRO 113 N -4.47 0.12 -0.01 12.44 -0.04 -1.26 -2.35 135.00 139.43 1wpk n PRO 113 Ca 0.06 0.49 -0.17 0.00 -0.04 0.00 0.00 63.50 63.84 1wpk n PRO 113 Cb 0.54 -1.81 -0.07 0.00 -0.04 0.00 0.00 33.50 32.13 1wpk n PRO 113 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1wpk h PHE 114 N 0.00 1.06 -0.11 0.54 0.04 -1.99 -2.49 116.94 113.98 1wpk h PHE 114 Ca 0.00 -0.48 -0.10 0.00 2.80 0.00 0.00 57.97 60.20 1wpk h PHE 114 Cb 0.16 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1wpk h PHE 114 CO 0.00 1.31 -0.31 0.45 -0.60 0.00 0.00 178.31 179.16 1wpk h HIS 115 N 0.52 0.52 -0.83 -0.55 3.86 -1.82 -1.83 115.15 115.03 1wpk h HIS 115 Ca -0.06 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1wpk h HIS 115 Cb 1.43 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.77 1wpk h HIS 115 CO 0.09 0.92 0.51 1.25 0.86 0.00 0.00 177.93 181.57 1wpk h LEU 116 N -0.03 0.97 -0.33 2.43 7.12 -1.62 0.48 115.31 124.33 1wpk h LEU 116 Ca -0.01 -0.05 -0.19 0.00 0.13 0.00 0.00 57.88 57.76 1wpk h LEU 116 Cb 0.93 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.81 1wpk h LEU 116 CO 0.07 0.73 -0.71 -0.74 -0.13 0.00 0.00 178.44 177.66 1wpk h HIS 117 N 1.13 0.79 -0.03 1.25 2.76 -1.46 -1.65 115.15 117.94 1wpk h HIS 117 Ca 0.30 -0.33 -0.07 0.00 -2.20 0.00 0.00 60.37 58.06 1wpk h HIS 117 Cb -0.08 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.76 1wpk h HIS 117 CO 0.00 1.12 -0.25 -0.09 -1.30 0.00 0.00 177.93 177.41 1wpk h ARG 118 N 0.42 0.23 -0.76 5.26 2.43 -0.84 -0.73 114.38 120.38 1wpk h ARG 118 Ca -0.03 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 58.89 1wpk h ARG 118 Cb 1.30 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.86 1wpk h ARG 118 CO 0.13 0.88 0.27 1.25 -1.51 0.00 0.00 179.97 180.99 1wpk h LEU 119 N -0.36 1.08 -0.02 3.80 5.85 -0.13 0.21 115.31 125.75 1wpk h LEU 119 Ca -0.02 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1wpk h LEU 119 Cb 0.94 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1wpk h LEU 119 CO 0.05 0.98 -0.05 0.15 -0.34 0.00 0.00 178.44 179.23 1wpk h PHE 120 N 1.12 0.09 0.00 1.25 3.57 -1.37 -2.56 116.94 119.03 1wpk h PHE 120 Ca 0.25 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1wpk h PHE 120 Cb 0.26 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1wpk h PHE 120 CO 0.02 0.66 -0.23 0.87 -2.23 0.00 0.00 178.31 177.41 1wpk h LYS 121 N -0.51 0.00 0.00 1.11 1.57 -1.08 0.25 116.57 117.91 1wpk h LYS 121 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1wpk h LYS 121 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1wpk h LYS 121 CO 0.01 0.23 -0.44 0.00 -0.57 0.00 0.00 179.45 178.68 1wpk h ALA 122 N 1.77 0.85 0.00 3.86 0.00 -0.57 -2.19 119.26 122.98 1wpk h ALA 122 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1wpk h ALA 122 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wpk h ALA 122 CO 0.03 0.55 -0.20 2.41 0.00 0.00 0.00 179.25 182.04 1wpk n THR 123 N -3.41 0.47 0.13 0.00 -1.04 -0.83 -4.72 114.28 104.89 1wpk n THR 123 Ca 0.01 0.40 -0.12 0.00 -2.04 0.00 0.00 64.05 62.29 1wpk n THR 123 Cb 0.61 -1.79 -0.08 0.00 -1.82 0.00 0.00 70.33 67.25 1wpk n THR 123 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1wpk h THR 124 N -0.33 0.71 0.00 12.58 1.35 -1.15 -3.48 112.91 122.59 1wpk h THR 124 Ca 0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1wpk h THR 124 Cb 0.20 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1wpk h THR 124 CO 0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 1wpk n GLY 125 N -0.00 2.12 0.00 5.82 0.00 -0.82 -5.04 105.19 107.27 1wpk n GLY 125 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1wpk n GLY 125 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wpk n MET 126 N -0.25 0.76 -4.46 1.61 0.00 -1.26 -4.93 117.12 108.59 1wpk n MET 126 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.70 57.46 1wpk n MET 126 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 1wpk n MET 126 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1wpk s THR 127 N 0.37 2.45 0.23 1.12 -4.23 -1.26 -4.56 115.64 109.76 1wpk s THR 127 Ca 0.00 -2.35 -0.07 0.00 -1.18 0.00 0.00 61.69 58.09 1wpk s THR 127 Cb 0.00 -2.27 0.18 0.00 1.34 0.00 0.00 72.50 71.75 1wpk s THR 127 CO 0.00 -0.36 1.74 -0.65 -0.54 0.00 0.00 174.62 174.81 1wpk h PRO 128 N 2.41 0.42 -0.99 3.99 0.11 -2.00 -1.07 132.00 134.87 1wpk h PRO 128 Ca -0.41 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.69 1wpk h PRO 128 Cb 1.25 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1wpk h PRO 128 CO 0.58 0.28 0.65 0.87 -0.21 0.00 0.00 178.00 180.18 1wpk h LYS 129 N 0.44 1.28 -0.38 1.05 1.57 -1.99 -1.92 116.57 116.61 1wpk h LYS 129 Ca 0.36 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1wpk h LYS 129 Cb 0.50 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1wpk h LYS 129 CO -0.36 0.84 0.24 0.00 -0.57 0.00 0.00 179.45 179.61 1wpk h ALA 130 N 1.39 0.48 -0.01 3.86 0.00 -1.62 0.12 119.26 123.49 1wpk h ALA 130 Ca 0.37 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1wpk h ALA 130 Cb -0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1wpk h ALA 130 CO -0.09 -0.04 0.01 -1.49 0.00 0.00 0.00 179.25 177.63 1wpk h TRP 131 N 0.51 0.02 -0.83 0.00 -0.00 -1.02 0.40 115.95 115.03 1wpk h TRP 131 Ca 0.14 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.01 1wpk h TRP 131 Cb -0.04 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.16 29.08 1wpk h TRP 131 CO -0.04 0.07 0.46 0.37 -0.00 0.00 0.00 178.44 179.30 1wpk h GLN 132 N -0.04 1.16 -0.18 0.49 4.15 -1.20 0.41 115.11 119.90 1wpk h GLN 132 Ca 0.00 -0.13 -0.14 0.00 0.77 0.00 0.00 58.65 59.15 1wpk h GLN 132 Cb 0.06 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 1wpk h GLN 132 CO -0.00 0.85 -0.50 0.37 -1.93 0.00 0.00 178.83 177.61 1wpk h GLN 133 N 1.15 0.48 -0.33 1.69 5.75 -0.53 -2.44 115.11 120.88 1wpk h GLN 133 Ca 0.29 -0.28 -0.17 0.00 -0.15 0.00 0.00 58.65 58.34 1wpk h GLN 133 Cb 0.02 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 1wpk h GLN 133 CO -0.05 0.87 -0.45 0.00 -2.65 0.00 0.00 178.83 176.55 1wpk h ALA 134 N 1.08 0.50 -0.46 3.38 0.00 0.26 -1.42 119.26 122.60 1wpk h ALA 134 Ca 0.02 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1wpk h ALA 134 Cb 1.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1wpk h ALA 134 CO 0.09 0.65 0.08 2.35 0.00 0.00 0.00 179.25 182.42 1wpk h TRP 135 N 0.69 0.81 -0.26 0.00 7.01 -0.89 0.11 115.95 123.42 1wpk h TRP 135 Ca 0.04 -0.11 -0.13 0.00 2.11 0.00 0.00 58.89 60.80 1wpk h TRP 135 Cb 1.05 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.88 1wpk h TRP 135 CO 0.07 0.76 -0.37 -0.09 -2.79 0.00 0.00 178.44 176.01 1wpk h ARG 136 N 0.63 0.58 -0.10 2.65 2.43 -1.44 -0.32 114.38 118.82 1wpk h ARG 136 Ca 0.14 -0.28 -0.19 0.00 -0.81 0.00 0.00 59.98 58.84 1wpk h ARG 136 Cb 0.38 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1wpk h ARG 136 CO 0.01 0.87 -0.72 0.00 -1.51 0.00 0.00 179.97 178.62 1wpk h ALA 137 N 1.11 0.57 -0.00 2.80 0.00 -1.08 -2.70 119.26 119.95 1wpk h ALA 137 Ca 0.05 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.18 1wpk h ALA 137 Cb 0.87 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1wpk h ALA 137 CO 0.07 0.74 -0.83 -0.09 0.00 0.00 0.00 179.25 179.15 1wpk h ARG 138 N 0.33 0.11 -0.01 0.00 9.65 -0.68 -1.63 114.38 122.15 1wpk h ARG 138 Ca -0.03 -0.12 -0.12 0.00 -1.10 0.00 0.00 59.98 58.61 1wpk h ARG 138 Cb 1.29 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.89 1wpk h ARG 138 CO 0.13 0.87 -0.55 0.00 2.80 0.00 0.00 179.97 183.22 1wpk h ARG 139 N 0.06 0.02 0.00 0.20 2.47 -1.02 -2.02 114.38 114.10 1wpk h ARG 139 Ca -0.03 -0.01 -0.25 0.00 -1.26 0.00 0.00 59.98 58.43 1wpk h ARG 139 Cb 1.44 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.72 1wpk h ARG 139 CO 0.12 0.57 -1.46 -0.07 0.56 0.00 0.00 179.97 179.69 1wpk h LEU 140 N 0.02 0.00 0.54 3.04 -0.00 -1.45 -2.08 115.31 115.38 1wpk h LEU 140 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1wpk h LEU 140 Cb 0.98 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.65 1wpk h LEU 140 CO 0.07 0.92 -0.26 -0.09 -0.00 0.00 0.00 178.44 179.09 1wpk h ARG 141 N 0.00 -0.70 0.00 1.13 1.12 -1.23 -3.42 114.38 111.28 1wpk h ARG 141 Ca -0.19 0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.69 1wpk h ARG 141 Cb 1.88 0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 31.99 1wpk h ARG 141 CO 0.09 -0.47 -1.16 0.39 -3.11 0.00 0.00 179.97 175.71 1wpk n GLU 142 N -5.20 3.11 0.00 0.20 1.02 -0.95 -5.02 120.64 113.80 1wpk n GLU 142 Ca -0.09 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1wpk n GLU 142 Cb 0.29 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 1wpk n GLU 142 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wpk n SER 143 N -2.02 0.00 -4.14 1.62 2.88 -0.78 -4.67 113.62 106.50 1wpk n SER 143 Ca -0.03 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.21 1wpk n SER 143 Cb 0.51 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.80 1wpk n SER 143 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wpk s LEU 144 N 0.00 1.93 -0.31 2.46 1.43 -1.26 -4.78 118.68 118.15 1wpk s LEU 144 Ca 0.00 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 1wpk s LEU 144 Cb 0.00 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 1wpk s LEU 144 CO 0.00 0.10 0.29 0.00 0.23 0.00 0.00 176.35 176.96 1wpk s ALA 145 N 0.57 3.52 0.00 4.21 0.00 -1.26 -5.20 121.76 123.59 1wpk s ALA 145 Ca -0.15 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1wpk s ALA 145 Cb -0.17 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1wpk s ALA 145 CO 0.05 -0.83 0.00 1.63 0.00 0.00 0.00 175.76 176.61