#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 0.10 -2.75 0.03 5.02 -1.26 -5.02 118.16 114.29 1wpk n LYS 2 Ca 0.00 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 1wpk n LYS 2 Cb 0.00 -0.68 -0.04 0.00 -0.02 0.00 0.00 35.03 34.30 1wpk n LYS 2 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wpk s LYS 3 N -2.15 4.60 0.02 1.97 -0.14 -1.26 -5.05 119.74 117.73 1wpk s LYS 3 Ca -0.06 1.39 0.04 0.00 -1.36 0.00 0.00 55.97 55.98 1wpk s LYS 3 Cb 0.01 -3.43 -0.03 0.00 -1.68 0.00 0.00 37.83 32.70 1wpk s LYS 3 CO 0.08 0.06 -0.10 0.00 -0.76 0.00 0.00 175.35 174.63 1wpk s ALA 4 N 0.61 2.91 0.14 5.17 0.00 -1.26 -4.99 121.76 124.34 1wpk s ALA 4 Ca 0.49 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1wpk s ALA 4 Cb -0.22 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1wpk s ALA 4 CO 0.28 0.61 0.00 0.25 0.00 0.00 0.00 175.76 176.89 1wpk n THR 5 N 1.50 0.00 0.00 0.00 -2.24 -1.26 -4.63 114.28 107.65 1wpk n THR 5 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1wpk n THR 5 Cb 0.52 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.01 0.00 -4.07 0.00 -0.00 -1.26 -5.10 117.00 104.56 1wpk n LEU 7 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 1wpk n LEU 7 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1wpk n LEU 7 CO 0.00 0.00 -0.17 0.28 -0.00 0.00 0.00 177.39 177.50 1wpk s THR 8 N 0.00 0.08 0.28 1.47 -1.32 -1.26 -5.05 115.64 109.84 1wpk s THR 8 Ca 0.00 -1.69 0.11 0.00 -1.21 0.00 0.00 61.69 58.90 1wpk s THR 8 Cb 0.00 -1.98 -0.01 0.00 -1.51 0.00 0.00 72.50 68.99 1wpk s THR 8 CO 0.00 -0.36 1.63 0.44 -2.21 0.00 0.00 174.62 174.12 1wpk h ASP 9 N 2.71 0.00 -0.17 8.08 5.19 -2.01 -3.01 116.42 127.20 1wpk h ASP 9 Ca -0.34 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 55.96 1wpk h ASP 9 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1wpk h ASP 9 CO 0.54 0.59 -0.36 -0.78 -3.12 0.00 0.00 179.24 176.11 1wpk h ASP 10 N 0.00 0.61 -0.72 6.45 3.58 -1.98 -2.00 116.42 122.36 1wpk h ASP 10 Ca -0.01 -0.56 0.02 0.00 0.42 0.00 0.00 57.03 56.91 1wpk h ASP 10 Cb 1.05 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.88 1wpk h ASP 10 CO 0.08 1.06 0.47 -0.61 -2.88 0.00 0.00 179.24 177.35 1wpk h GLN 11 N 0.20 0.92 0.38 0.28 -0.00 -1.97 -1.98 115.11 112.94 1wpk h GLN 11 Ca 0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.58 1wpk h GLN 11 Cb 0.96 -0.21 0.00 0.00 0.00 0.00 0.00 27.48 28.23 1wpk h GLN 11 CO 0.08 0.61 -0.18 0.00 0.00 0.00 0.00 178.83 179.33 1wpk h ARG 12 N 0.94 -0.49 -0.40 1.69 3.08 -1.55 -2.94 114.38 114.71 1wpk h ARG 12 Ca 0.28 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.48 1wpk h ARG 12 Cb -0.06 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1wpk h ARG 12 CO -0.08 -0.17 0.54 2.35 -1.07 0.00 0.00 179.97 181.53 1wpk h TRP 13 N -0.87 0.00 0.23 3.04 -0.00 -1.27 -1.39 115.95 115.69 1wpk h TRP 13 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 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 0.02 0.00 -0.11 1.96 -0.00 0.00 0.00 178.44 180.31 1wpk h GLN 14 N 0.00 -0.30 -0.86 2.65 4.20 -1.18 -2.62 115.11 116.99 1wpk h GLN 14 Ca 0.19 0.02 0.23 0.00 0.06 0.00 0.00 58.65 59.15 1wpk h GLN 14 Cb 1.27 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 29.07 1wpk h GLN 14 CO -0.00 0.07 0.60 0.77 -0.67 0.00 0.00 178.83 179.60 1wpk h SER 15 N -0.84 0.16 -0.01 1.46 0.02 -1.19 -0.47 113.55 112.69 1wpk h SER 15 Ca -0.03 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1wpk h SER 15 Cb 0.51 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1wpk h SER 15 CO 0.05 0.06 -0.02 0.58 -1.14 0.00 0.00 176.83 176.37 1wpk h VAL 16 N 0.16 1.43 0.00 2.27 2.07 -1.50 -2.15 116.25 118.53 1wpk h VAL 16 Ca 0.43 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1wpk h VAL 16 Cb 1.43 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1wpk h VAL 16 CO -0.08 0.34 -0.06 -0.07 0.02 0.00 0.00 177.57 177.73 1wpk h LEU 17 N -0.50 0.00 -0.23 2.57 -0.00 -0.79 -1.16 115.31 115.20 1wpk h LEU 17 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.77 1wpk h LEU 17 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.21 1wpk h LEU 17 CO 0.00 0.06 -0.55 0.00 -0.00 0.00 0.00 178.44 177.95 1wpk h ALA 18 N 1.94 0.70 -2.24 1.53 0.00 -1.08 -3.47 119.26 116.63 1wpk h ALA 18 Ca -0.00 -0.50 -0.37 0.00 0.00 0.00 0.00 54.91 54.03 1wpk h ALA 18 Cb 0.12 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1wpk h ALA 18 CO 0.01 0.69 -0.45 -2.13 0.00 0.00 0.00 179.25 177.37 1wpk n ARG 19 N -3.32 -1.44 -1.56 0.00 0.00 -0.44 -4.88 116.66 105.02 1wpk n ARG 19 Ca 0.01 0.96 -0.44 0.00 -0.00 0.00 0.00 57.85 58.38 1wpk n ARG 19 Cb 0.71 -5.44 -0.04 0.00 0.00 0.00 0.00 32.46 27.70 1wpk n ARG 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1wpk n ASP 20 N -1.42 2.93 0.00 6.15 -0.08 -1.22 -4.81 116.55 118.09 1wpk n ASP 20 Ca -0.21 0.17 0.06 0.00 -1.51 0.00 0.00 54.79 53.31 1wpk n ASP 20 Cb 0.65 -1.50 0.29 0.00 2.34 0.00 0.00 41.12 42.90 1wpk n ASP 20 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1wpk n PRO 21 N 8.68 0.02 -0.84 -0.67 -0.04 -1.26 -2.49 135.00 138.41 1wpk n PRO 21 Ca 0.33 0.26 -0.10 0.00 -0.04 0.00 0.00 63.50 63.95 1wpk n PRO 21 Cb 0.41 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.48 3.90 -1.92 3.54 3.02 -1.26 -4.33 115.26 116.74 1wpk n ASN 22 Ca 0.03 -3.03 -0.12 0.00 -0.03 0.00 0.00 54.58 51.43 1wpk n ASN 22 Cb 0.15 -0.72 0.21 0.00 -0.61 0.00 0.00 39.78 38.81 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 -0.32 4.65 -1.54 5.41 0.00 -1.04 -4.92 120.51 122.75 1wpk n ALA 23 Ca 0.37 -2.16 -0.19 0.00 0.00 0.00 0.00 53.44 51.45 1wpk n ALA 23 Cb 1.24 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 19.30 1wpk n ALA 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wpk n ASP 24 N -0.44 1.19 0.00 0.00 5.75 -1.26 0.76 116.55 122.54 1wpk n ASP 24 Ca 0.42 -1.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 1wpk n ASP 24 Cb 1.35 -1.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1wpk n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wpk n GLY 25 N 6.43 0.76 0.00 6.12 0.00 -1.26 -5.00 105.19 112.24 1wpk n GLY 25 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -3.63 1.61 -0.58 0.23 -5.00 120.64 113.27 1wpk n GLU 26 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1wpk n GLU 26 Cb 0.00 -0.58 -0.07 0.00 -0.57 0.00 0.00 31.44 30.22 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 -0.24 -0.51 -0.07 -0.32 -0.71 -1.19 -4.84 117.98 110.10 1wpk s PHE 27 Ca 0.00 1.20 -0.20 0.00 -1.04 0.00 0.00 56.93 56.89 1wpk s PHE 27 Cb 0.00 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 1wpk s PHE 27 CO 0.00 -0.27 0.57 0.08 -1.34 0.00 0.00 175.22 174.26 1wpk s VAL 28 N 0.05 5.06 -0.35 -2.49 1.01 0.37 -3.77 120.40 120.28 1wpk s VAL 28 Ca 0.02 1.17 -0.15 0.00 0.00 0.00 0.00 61.98 63.02 1wpk s VAL 28 Cb -0.04 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1wpk s VAL 28 CO -0.04 0.34 0.36 -0.36 0.00 0.00 0.00 175.10 175.40 1wpk s PHE 29 N 0.38 3.21 -0.13 5.22 0.40 -1.26 0.11 117.98 125.90 1wpk s PHE 29 Ca 0.31 -0.08 -0.22 0.00 -0.60 0.00 0.00 56.93 56.34 1wpk s PHE 29 Cb -0.17 -2.67 -0.03 0.00 0.51 0.00 0.00 43.02 40.66 1wpk s PHE 29 CO 0.15 -0.45 0.64 0.00 0.70 0.00 0.00 175.22 176.25 1wpk s ALA 30 N 2.00 3.45 -0.23 5.36 0.00 -0.50 -4.02 121.76 127.82 1wpk s ALA 30 Ca 0.11 -0.09 -0.09 0.00 0.00 0.00 0.00 51.96 51.89 1wpk s ALA 30 Cb -0.17 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1wpk s ALA 30 CO 0.12 -0.29 0.12 0.08 0.00 0.00 0.00 175.76 175.79 1wpk s VAL 31 N 1.27 5.04 -0.04 0.00 1.01 0.36 -0.22 120.40 127.82 1wpk s VAL 31 Ca 0.32 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.26 1wpk s VAL 31 Cb -0.16 -3.33 -0.31 0.00 0.00 0.00 0.00 36.38 32.58 1wpk s VAL 31 CO 0.13 0.37 0.69 0.03 0.00 0.00 0.00 175.10 176.33 1wpk h ARG 32 N 7.42 0.39 -0.22 2.72 -0.00 -1.86 0.92 114.38 123.76 1wpk h ARG 32 Ca -0.38 -0.66 0.04 0.00 -0.50 0.00 0.00 59.98 58.48 1wpk h ARG 32 Cb 1.17 0.25 -0.01 0.00 0.00 0.00 0.00 29.97 31.38 1wpk h ARG 32 CO 0.65 1.31 0.15 1.79 0.00 0.00 0.00 179.97 183.87 1wpk h THR 33 N 0.11 0.96 0.00 2.04 1.35 -1.90 -3.17 112.91 112.30 1wpk h THR 33 Ca -0.34 -0.05 -0.14 0.00 -0.55 0.00 0.00 66.41 65.33 1wpk h THR 33 Cb 2.10 0.81 -0.03 0.00 -1.73 0.00 0.00 68.15 69.31 1wpk h THR 33 CO 0.18 0.03 -1.54 0.41 -0.25 0.00 0.00 175.52 174.35 1wpk n THR 34 N -4.50 0.54 -1.38 6.82 -1.04 -1.25 -5.04 114.28 108.43 1wpk n THR 34 Ca 0.01 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1wpk n THR 34 Cb 0.20 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 1wpk n THR 34 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wpk n GLY 35 N 2.70 0.99 3.78 3.41 0.00 0.31 -4.93 105.19 111.44 1wpk n GLY 35 Ca -0.14 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.29 1.19 0.21 -0.61 -4.36 -0.77 0.31 121.20 114.88 1wpk s ILE 36 Ca 0.00 -1.95 0.02 0.00 -0.26 0.00 0.00 60.65 58.46 1wpk s ILE 36 Cb 0.00 -2.14 -0.01 0.00 1.25 0.00 0.00 42.46 41.57 1wpk s ILE 36 CO 0.00 0.00 0.24 2.22 0.24 0.00 0.00 174.94 177.64 1wpk n PHE 37 N -1.32 -0.79 -2.67 1.37 1.16 0.47 0.14 117.46 115.81 1wpk n PHE 37 Ca -0.18 -1.57 -0.21 0.00 -1.87 0.00 0.00 57.45 53.62 1wpk n PHE 37 Cb 0.67 0.26 0.03 0.00 -1.61 0.00 0.00 39.48 38.84 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 -2.65 2.59 0.28 3.97 1.81 -1.18 -1.08 118.95 122.69 1wpk s ARG 39 Ca 0.21 -0.76 0.01 0.00 -1.72 0.00 0.00 55.73 53.47 1wpk s ARG 39 Cb 0.00 -2.49 0.66 0.00 -0.45 0.00 0.00 34.95 32.67 1wpk s ARG 39 CO 0.15 -0.67 1.65 -1.35 -0.68 0.00 0.00 175.30 174.40 1wpk h PRO 40 N 0.10 0.20 0.00 3.54 0.11 -1.74 -3.38 132.00 130.83 1wpk h PRO 40 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1wpk h PRO 40 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1wpk h PRO 40 CO 0.53 0.13 0.00 0.45 -0.21 0.00 0.00 178.00 178.90 1wpk n SER 41 N -5.23 0.00 -1.26 -2.05 2.88 -1.25 -3.18 113.62 103.52 1wpk n SER 41 Ca 0.20 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.88 1wpk n SER 41 Cb 0.64 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.03 1wpk n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wpk n ARG 43 N -3.99 0.28 -3.13 0.00 1.85 -1.26 -4.65 116.66 105.76 1wpk n ARG 43 Ca -0.06 -0.38 -0.39 0.00 -1.00 0.00 0.00 57.85 56.02 1wpk n ARG 43 Cb 0.59 0.28 -0.06 0.00 -1.05 0.00 0.00 32.46 32.22 1wpk n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wpk s ALA 44 N 0.03 3.52 -0.70 2.89 0.00 -1.26 -4.99 121.76 121.25 1wpk s ALA 44 Ca 0.02 0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.90 1wpk s ALA 44 Cb 0.09 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1wpk s ALA 44 CO -0.03 0.34 1.58 -0.98 0.00 0.00 0.00 175.76 176.67 1wpk s ARG 45 N -1.07 2.93 -0.22 0.00 1.70 -1.26 -4.63 118.95 116.40 1wpk s ARG 45 Ca 0.32 0.10 0.09 0.00 -0.47 0.00 0.00 55.73 55.78 1wpk s ARG 45 Cb -0.21 -4.36 0.28 0.00 -0.57 0.00 0.00 34.95 30.08 1wpk s ARG 45 CO 0.22 -2.47 1.34 1.58 -1.08 0.00 0.00 175.30 174.90 1wpk n HIS 46 N 11.07 -1.22 0.00 5.89 -0.00 -1.26 -5.09 115.22 124.61 1wpk n HIS 46 Ca 0.14 -1.30 0.00 0.00 0.46 0.00 0.00 57.72 57.01 1wpk n HIS 46 Cb 0.50 1.11 0.00 0.00 -0.12 0.00 0.00 29.99 31.49 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 -0.96 0.00 -0.53 1.57 0.00 -1.26 -4.88 120.51 114.45 1wpk n ALA 47 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 1wpk n ALA 47 Cb 0.82 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.53 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 0.43 0.60 0.00 1.02 -1.26 -4.58 118.68 114.89 1wpk s LEU 48 Ca 0.00 1.37 0.30 0.00 0.02 0.00 0.00 54.13 55.81 1wpk s LEU 48 Cb 0.00 -3.18 1.70 0.00 0.02 0.00 0.00 46.19 44.74 1wpk s LEU 48 CO 0.00 -4.44 2.10 -0.09 0.02 0.00 0.00 176.35 173.95 1wpk h ARG 49 N -2.79 0.00 0.00 1.70 2.43 -2.02 -0.77 114.38 112.94 1wpk h ARG 49 Ca -0.60 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.40 1wpk h ARG 49 Cb 1.34 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.86 1wpk h ARG 49 CO 0.48 0.00 -2.16 -0.85 -1.51 0.00 0.00 179.97 175.93 1wpk n GLU 50 N -3.70 0.70 -1.00 0.20 0.28 -1.26 -4.31 120.64 111.55 1wpk n GLU 50 Ca 0.01 -0.11 -0.20 0.00 -0.16 0.00 0.00 57.16 56.71 1wpk n GLU 50 Cb 0.32 -1.51 0.14 0.00 1.43 0.00 0.00 31.44 31.82 1wpk n GLU 50 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1wpk n ASN 51 N -2.47 3.78 -4.06 -1.84 3.02 -0.36 -4.88 115.26 108.44 1wpk n ASN 51 Ca -0.17 -3.31 -0.23 0.00 -0.03 0.00 0.00 54.58 50.83 1wpk n ASN 51 Cb 0.83 -0.79 -0.16 0.00 -0.61 0.00 0.00 39.78 39.06 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 -2.72 1.11 0.32 2.41 0.11 -0.79 -4.13 120.40 116.70 1wpk s VAL 52 Ca 0.46 -0.53 0.08 0.00 -2.93 0.00 0.00 61.98 59.06 1wpk s VAL 52 Cb 0.39 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 1wpk s VAL 52 CO 0.08 0.33 0.23 -0.55 -3.33 0.00 0.00 175.10 171.87 1wpk s SER 53 N 0.21 5.17 0.21 3.54 0.15 0.70 -4.94 113.70 118.74 1wpk s SER 53 Ca -0.05 -0.51 0.11 0.00 0.70 0.00 0.00 55.95 56.20 1wpk s SER 53 Cb -0.11 -0.99 -0.05 0.00 -1.71 0.00 0.00 66.02 63.16 1wpk s SER 53 CO 0.02 -0.27 -0.23 -0.36 1.20 0.00 0.00 173.24 173.60 1wpk s PHE 54 N -2.30 2.26 0.09 3.44 0.08 -1.26 -1.41 117.98 118.88 1wpk s PHE 54 Ca 0.38 -0.36 -0.23 0.00 0.12 0.00 0.00 56.93 56.84 1wpk s PHE 54 Cb -0.06 -1.08 0.06 0.00 -0.57 0.00 0.00 43.02 41.37 1wpk s PHE 54 CO 0.25 0.54 0.57 0.71 -0.10 0.00 0.00 175.22 177.18 1wpk s TYR 55 N -1.90 -0.49 -0.10 0.36 2.02 0.29 -4.75 117.35 112.78 1wpk s TYR 55 Ca 0.22 0.44 -0.15 0.00 -0.37 0.00 0.00 57.07 57.21 1wpk s TYR 55 Cb -0.07 0.44 -0.28 0.00 -0.40 0.00 0.00 41.96 41.66 1wpk s TYR 55 CO 0.11 -0.74 0.57 0.00 -1.57 0.00 0.00 175.55 173.91 1wpk h ALA 56 N 2.40 0.17 -2.46 3.71 0.00 -1.83 1.07 119.26 122.33 1wpk h ALA 56 Ca -0.32 -1.09 -0.46 0.00 0.00 0.00 0.00 54.91 53.04 1wpk h ALA 56 Cb 1.25 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 19.38 1wpk h ALA 56 CO 0.40 0.84 -0.52 -0.80 0.00 0.00 0.00 179.25 179.17 1wpk s ASN 57 N -7.05 1.77 0.14 0.00 -0.87 -1.26 -4.38 114.94 103.30 1wpk s ASN 57 Ca -0.19 -1.66 -0.02 0.00 -1.57 0.00 0.00 52.86 49.42 1wpk s ASN 57 Cb 0.04 0.49 -0.07 0.00 -0.02 0.00 0.00 41.25 41.70 1wpk s ASN 57 CO 0.77 -0.97 1.33 0.00 -2.57 0.00 0.00 177.10 175.66 1wpk h ALA 58 N 2.11 0.42 -0.75 0.60 0.00 -1.98 -3.10 119.26 116.56 1wpk h ALA 58 Ca -0.30 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 53.88 1wpk h ALA 58 Cb 1.25 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1wpk h ALA 58 CO 0.46 0.86 0.43 0.77 0.00 0.00 0.00 179.25 181.78 1wpk h SER 59 N 0.17 0.91 0.18 0.00 0.02 -1.97 0.85 113.55 113.73 1wpk h SER 59 Ca -0.07 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1wpk h SER 59 Cb 1.56 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1wpk h SER 59 CO 0.15 0.73 -0.09 -0.33 -1.14 0.00 0.00 176.83 176.15 1wpk h GLU 60 N 1.02 -0.24 -0.41 3.45 4.39 -1.98 0.23 114.58 121.04 1wpk h GLU 60 Ca 0.27 0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.88 1wpk h GLU 60 Cb -0.00 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1wpk h GLU 60 CO -0.05 0.02 -0.15 0.00 -1.16 0.00 0.00 179.01 177.68 1wpk h ALA 61 N 0.28 0.57 -0.31 3.43 0.00 -1.45 -2.58 119.26 119.21 1wpk h ALA 61 Ca -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1wpk h ALA 61 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1wpk h ALA 61 CO 0.04 0.49 0.14 1.25 0.00 0.00 0.00 179.25 181.17 1wpk h LEU 62 N 0.64 0.41 -2.46 0.00 6.46 0.74 -2.12 115.31 118.99 1wpk h LEU 62 Ca 0.10 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1wpk h LEU 62 Cb 0.69 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1wpk h LEU 62 CO 0.05 0.44 -0.03 0.00 -0.62 0.00 0.00 178.44 178.28 1wpk h ALA 63 N 0.99 1.30 -0.22 1.25 0.00 -0.49 -0.87 119.26 121.24 1wpk h ALA 63 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wpk h ALA 63 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wpk h ALA 63 CO -0.01 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1wpk n ALA 64 N -2.23 2.77 -1.54 0.00 0.00 -0.80 -4.89 120.51 113.82 1wpk n ALA 64 Ca -0.03 -0.56 -0.00 0.00 0.00 0.00 0.00 53.44 52.85 1wpk n ALA 64 Cb 0.12 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1wpk n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wpk n GLY 65 N 0.48 0.09 3.22 0.00 0.00 -0.34 -5.06 105.19 103.57 1wpk n GLY 65 Ca 0.09 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.00 -0.45 0.38 1.61 0.40 -1.14 -4.85 117.98 110.93 1wpk s PHE 66 Ca 0.00 1.03 -0.24 0.00 -0.60 0.00 0.00 56.93 57.13 1wpk s PHE 66 Cb -0.00 0.16 -0.10 0.00 0.51 0.00 0.00 43.02 43.59 1wpk s PHE 66 CO 0.02 -0.25 0.96 1.03 0.70 0.00 0.00 175.22 177.68 1wpk s ARG 67 N 0.77 4.37 0.46 0.44 0.52 0.15 -4.34 118.95 121.32 1wpk s ARG 67 Ca -0.05 1.27 -0.20 0.00 -0.52 0.00 0.00 55.73 56.23 1wpk s ARG 67 Cb -0.06 -2.50 -0.10 0.00 0.52 0.00 0.00 34.95 32.82 1wpk s ARG 67 CO -0.05 0.08 0.98 -1.25 0.02 0.00 0.00 175.30 175.07 1wpk s PRO 68 N -2.59 4.07 -0.21 3.54 0.04 -1.26 0.18 135.00 138.76 1wpk s PRO 68 Ca 0.56 1.13 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 1wpk s PRO 68 Cb -0.15 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.30 1wpk s PRO 68 CO 0.20 -0.17 0.02 0.00 0.04 0.00 0.00 177.00 177.08 1wpk n LYS 70 N 4.96 1.93 -1.06 0.00 4.81 -1.26 -3.12 118.16 124.41 1wpk n LYS 70 Ca -0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.33 1wpk n LYS 70 Cb 0.46 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.50 1wpk n LYS 70 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wpk n ARG 71 N 0.00 -1.15 -0.96 1.64 3.00 -1.26 -4.80 116.66 113.13 1wpk n ARG 71 Ca 0.00 0.40 0.05 0.00 -0.01 0.00 0.00 57.85 58.29 1wpk n ARG 71 Cb 0.00 -4.32 0.10 0.00 0.00 0.00 0.00 32.46 28.24 1wpk n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wpk n GLN 73 N -0.29 -4.16 0.00 0.00 3.00 -1.26 -3.19 117.38 111.47 1wpk n GLN 73 Ca 0.11 3.12 0.00 0.00 -0.01 0.00 0.00 57.00 60.22 1wpk n GLN 73 Cb 0.90 -4.27 0.00 0.00 0.00 0.00 0.00 30.24 26.87 1wpk n GLN 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1wpk n PRO 74 N 1.88 -0.24 0.07 -1.09 -0.04 -1.26 -4.28 135.00 130.04 1wpk n PRO 74 Ca -0.26 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.10 1wpk n PRO 74 Cb 0.40 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.73 1wpk n PRO 74 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1wpk h GLU 75 N 0.00 0.09 -1.64 0.54 4.11 -1.95 -3.44 114.58 112.29 1wpk h GLU 75 Ca 0.00 -0.15 -0.16 0.00 0.07 0.00 0.00 59.36 59.11 1wpk h GLU 75 Cb 0.00 0.06 -0.28 0.00 0.50 0.00 0.00 28.75 29.03 1wpk h GLU 75 CO 0.00 1.07 -0.52 0.15 0.07 0.00 0.00 179.01 179.78 1wpk s LYS 76 N -2.69 0.43 0.00 1.06 1.02 -1.26 -4.90 119.74 113.39 1wpk s LYS 76 Ca -0.01 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.18 1wpk s LYS 76 Cb 0.09 -0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.15 1wpk s LYS 76 CO 0.84 -1.01 0.00 0.00 -0.92 0.00 0.00 175.35 174.26 1wpk n ALA 77 N 5.36 0.00 -2.76 5.17 0.00 -1.26 -4.89 120.51 122.12 1wpk n ALA 77 Ca 0.01 -0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1wpk n ALA 77 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 1wpk n ALA 77 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wpk s ASN 78 N -1.85 5.85 0.02 0.00 -0.87 -1.26 -4.99 114.94 111.85 1wpk s ASN 78 Ca 0.00 0.08 -0.19 0.00 -1.57 0.00 0.00 52.86 51.18 1wpk s ASN 78 Cb 0.00 -2.04 -0.21 0.00 -0.02 0.00 0.00 41.25 38.99 1wpk s ASN 78 CO 0.00 0.10 1.17 0.00 -2.57 0.00 0.00 177.10 175.80 1wpk h ALA 79 N 7.25 0.14 -2.91 0.60 0.00 -2.04 -3.41 119.26 118.89 1wpk h ALA 79 Ca -0.38 -0.53 -0.60 0.00 0.00 0.00 0.00 54.91 53.41 1wpk h ALA 79 Cb 1.17 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.57 1wpk h ALA 79 CO 0.67 0.35 -0.77 -0.65 0.00 0.00 0.00 179.25 178.85 1wpk s GLN 80 N -3.47 1.00 -0.10 0.00 -0.21 -1.26 -5.09 119.66 110.53 1wpk s GLN 80 Ca -0.13 -1.67 -0.04 0.00 0.02 0.00 0.00 55.36 53.54 1wpk s GLN 80 Cb 0.04 -2.01 0.05 0.00 1.00 0.00 0.00 33.01 32.10 1wpk s GLN 80 CO 0.82 -1.14 0.22 -0.65 -2.12 0.00 0.00 175.29 172.42 1wpk s GLN 81 N 0.76 0.14 -0.08 2.91 -1.52 -1.26 -5.02 119.66 115.58 1wpk s GLN 81 Ca 0.16 0.58 0.03 0.00 -1.95 0.00 0.00 55.36 54.18 1wpk s GLN 81 Cb -0.23 -0.13 -0.07 0.00 -0.22 0.00 0.00 33.01 32.36 1wpk s GLN 81 CO -0.04 -0.23 -0.04 -2.39 -0.25 0.00 0.00 175.29 172.34 1wpk n HIS 82 N 4.79 0.00 -0.06 0.91 1.44 -1.26 -4.23 115.22 116.82 1wpk n HIS 82 Ca -0.15 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.43 1wpk n HIS 82 Cb 0.51 -0.33 -0.06 0.00 0.12 0.00 0.00 29.99 30.23 1wpk n HIS 82 CO 0.00 0.00 0.00 -0.09 -2.81 0.00 0.00 176.34 173.44 1wpk h ARG 83 N 0.00 0.32 0.00 -1.40 2.43 -2.00 -2.11 114.38 111.62 1wpk h ARG 83 Ca -0.19 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 58.75 1wpk h ARG 83 Cb 1.34 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1wpk h ARG 83 CO -0.02 0.61 -0.50 1.25 -1.51 0.00 0.00 179.97 179.80 1wpk h LEU 84 N 0.01 0.00 -0.80 3.80 6.46 -1.94 -2.91 115.31 119.93 1wpk h LEU 84 Ca 0.04 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.67 1wpk h LEU 84 Cb 0.49 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 1wpk h LEU 84 CO 0.02 0.50 -0.51 -0.78 -0.62 0.00 0.00 178.44 177.05 1wpk h ASP 85 N 0.00 0.24 0.38 1.25 3.58 -1.71 -2.55 116.42 117.61 1wpk h ASP 85 Ca -0.01 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 1wpk h ASP 85 Cb 0.92 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.90 1wpk h ASP 85 CO 0.07 0.71 -0.18 0.50 -2.88 0.00 0.00 179.24 177.46 1wpk h LYS 86 N 0.18 -0.49 -0.86 0.28 1.63 -1.19 -2.66 116.57 113.45 1wpk h LYS 86 Ca 0.01 0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.94 1wpk h LYS 86 Cb 0.96 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 32.64 1wpk h LYS 86 CO 0.08 -0.19 0.56 -0.84 -3.45 0.00 0.00 179.45 175.61 1wpk h ILE 87 N -0.99 0.94 -0.84 2.00 -0.00 -1.59 -0.41 117.51 116.61 1wpk h ILE 87 Ca -0.05 -0.28 -0.02 0.00 -0.00 0.00 0.00 64.86 64.51 1wpk h ILE 87 Cb 0.52 0.06 -0.04 0.00 -0.00 0.00 0.00 36.82 37.37 1wpk h ILE 87 CO 0.08 0.15 0.43 0.74 -0.00 0.00 0.00 178.15 179.56 1wpk h THR 88 N 0.81 1.25 -0.05 0.16 2.02 -1.48 0.10 112.91 115.72 1wpk h THR 88 Ca 0.40 -0.66 -0.11 0.00 0.77 0.00 0.00 66.41 66.81 1wpk h THR 88 Cb 0.47 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1wpk h THR 88 CO -0.17 0.29 -0.48 -0.74 0.37 0.00 0.00 175.52 174.79 1wpk h HIS 89 N 1.18 0.14 -0.07 3.16 2.76 -0.76 -2.90 115.15 118.67 1wpk h HIS 89 Ca 0.29 -0.04 -0.10 0.00 -2.20 0.00 0.00 60.37 58.32 1wpk h HIS 89 Cb 0.07 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1wpk h HIS 89 CO 0.01 0.58 -0.33 0.00 -1.30 0.00 0.00 177.93 176.89 1wpk h ALA 90 N 1.42 0.13 -0.71 5.26 0.00 -0.46 -2.05 119.26 122.85 1wpk h ALA 90 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.54 1wpk h ALA 90 Cb 0.89 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1wpk h ALA 90 CO 0.07 0.19 0.39 0.00 0.00 0.00 0.00 179.25 179.90 1wpk h ARG 92 N 0.69 0.00 -0.58 0.00 3.08 -1.57 -3.09 114.38 112.91 1wpk h ARG 92 Ca 0.33 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.31 1wpk h ARG 92 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1wpk h ARG 92 CO -0.22 0.41 0.08 1.25 -1.07 0.00 0.00 179.97 180.42 1wpk h LEU 93 N 0.00 0.93 -3.88 3.04 6.46 -0.41 -3.00 115.31 118.46 1wpk h LEU 93 Ca -0.00 -0.27 -0.57 0.00 -0.12 0.00 0.00 57.88 56.92 1wpk h LEU 93 Cb 1.05 -0.25 -0.30 0.00 -0.73 0.00 0.00 40.66 40.44 1wpk h LEU 93 CO 0.05 0.97 0.39 0.00 -0.62 0.00 0.00 178.44 179.23 1wpk n LEU 94 N -4.30 6.60 -4.01 2.25 -0.00 -0.87 -4.81 117.00 111.86 1wpk n LEU 94 Ca 0.03 -4.22 -0.42 0.00 -0.00 0.00 0.00 56.01 51.39 1wpk n LEU 94 Cb 0.28 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 1wpk n LEU 94 CO 0.42 1.51 1.05 1.21 -0.00 0.00 0.00 177.39 181.58 1wpk n GLU 95 N -0.94 4.31 -3.83 1.47 2.13 -1.13 -4.86 120.64 117.78 1wpk n GLU 95 Ca 0.55 -4.55 -0.16 0.00 0.66 0.00 0.00 57.16 53.65 1wpk n GLU 95 Cb 0.93 -2.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.07 1wpk n GLU 95 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wpk n GLN 96 N 1.42 0.37 0.09 5.31 10.64 -1.26 -5.05 117.38 128.90 1wpk n GLN 96 Ca 0.26 -2.72 -0.13 0.00 -1.83 0.00 0.00 57.00 52.59 1wpk n GLN 96 Cb 0.34 2.13 -0.13 0.00 -0.86 0.00 0.00 30.24 31.72 1wpk n GLN 96 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1wpk h GLU 97 N 0.00 0.17 -6.71 2.61 4.57 -2.03 -3.45 114.58 109.74 1wpk h GLU 97 Ca -0.20 -0.29 -0.50 0.00 -1.18 0.00 0.00 59.36 57.19 1wpk h GLU 97 Cb 0.97 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 1wpk h GLU 97 CO 0.29 1.13 0.41 0.99 -1.18 0.00 0.00 179.01 180.65 1wpk s THR 98 N -2.67 3.96 -0.29 0.32 2.01 -1.26 -4.97 115.64 112.73 1wpk s THR 98 Ca -0.02 1.84 -0.29 0.00 0.31 0.00 0.00 61.69 63.53 1wpk s THR 98 Cb 0.08 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 1wpk s THR 98 CO 0.86 0.39 1.80 -2.16 -0.69 0.00 0.00 174.62 174.81 1wpk s PRO 99 N -0.86 3.43 0.49 4.92 0.04 -1.26 -4.99 135.00 136.77 1wpk s PRO 99 Ca 0.45 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 62.95 1wpk s PRO 99 Cb -0.28 -4.18 -0.05 0.00 0.04 0.00 0.00 34.50 30.04 1wpk s PRO 99 CO 0.34 -1.74 0.84 0.08 0.04 0.00 0.00 177.00 176.56 1wpk s VAL 100 N 6.60 4.82 0.35 -0.36 1.01 -1.26 -5.07 120.40 126.49 1wpk s VAL 100 Ca 0.80 0.48 -0.11 0.00 0.00 0.00 0.00 61.98 63.15 1wpk s VAL 100 Cb -0.24 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1wpk s VAL 100 CO 0.33 -0.81 0.71 0.42 0.00 0.00 0.00 175.10 175.75 1wpk s THR 101 N -2.72 4.81 -0.05 3.92 -4.23 -1.26 -5.02 115.64 111.09 1wpk s THR 101 Ca 0.50 0.60 -0.24 0.00 -1.18 0.00 0.00 61.69 61.38 1wpk s THR 101 Cb -0.10 -3.69 -0.19 0.00 1.34 0.00 0.00 72.50 69.86 1wpk s THR 101 CO 0.42 -0.37 1.01 -0.07 -0.54 0.00 0.00 174.62 175.08 1wpk h LEU 102 N 1.69 -0.10 -2.20 4.79 3.38 -2.02 -3.20 115.31 117.65 1wpk h LEU 102 Ca -0.47 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.04 1wpk h LEU 102 Cb 1.18 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1wpk h LEU 102 CO 0.65 0.47 0.02 1.05 0.09 0.00 0.00 178.44 180.72 1wpk h GLU 103 N -0.74 0.00 -0.68 1.13 4.11 -1.98 -1.82 114.58 114.59 1wpk h GLU 103 Ca -0.01 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.49 1wpk h GLU 103 Cb 0.57 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 1wpk h GLU 103 CO 0.02 0.00 0.35 0.00 0.07 0.00 0.00 179.01 179.45 1wpk h ALA 104 N 1.98 0.92 -0.18 1.06 0.00 -1.96 0.60 119.26 121.68 1wpk h ALA 104 Ca 0.01 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1wpk h ALA 104 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wpk h ALA 104 CO -0.00 -0.01 -0.21 -0.07 0.00 0.00 0.00 179.25 178.96 1wpk h LEU 105 N 0.63 0.30 -1.07 0.00 -0.00 -1.41 -1.70 115.31 112.06 1wpk h LEU 105 Ca 0.32 -0.08 -0.10 0.00 -0.00 0.00 0.00 57.88 58.02 1wpk h LEU 105 Cb 0.28 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 1wpk h LEU 105 CO -0.23 0.52 -0.46 0.00 -0.00 0.00 0.00 178.44 178.28 1wpk h ALA 106 N 1.51 1.23 -0.15 1.53 0.00 -0.42 -2.41 119.26 120.54 1wpk h ALA 106 Ca 0.05 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1wpk h ALA 106 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wpk h ALA 106 CO 0.04 0.58 0.08 0.22 0.00 0.00 0.00 179.25 180.16 1wpk h ASP 107 N 0.01 0.20 0.21 0.00 1.82 0.97 0.82 116.42 120.44 1wpk h ASP 107 Ca -0.00 -0.10 -0.12 0.00 -0.39 0.00 0.00 57.03 56.41 1wpk h ASP 107 Cb 0.82 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.77 1wpk h ASP 107 CO 0.06 0.24 -0.46 1.56 -1.61 0.00 0.00 179.24 179.04 1wpk h GLN 108 N 0.14 0.31 0.00 0.28 4.20 -1.45 -2.86 115.11 115.72 1wpk h GLN 108 Ca 0.05 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1wpk h GLN 108 Cb 0.09 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1wpk h GLN 108 CO -0.01 0.71 -0.18 0.28 -0.67 0.00 0.00 178.83 178.95 1wpk h VAL 109 N 0.25 0.00 -4.64 -0.54 2.07 -1.17 -3.48 116.25 108.74 1wpk h VAL 109 Ca 0.02 -0.95 -0.28 0.00 0.82 0.00 0.00 66.70 66.31 1wpk h VAL 109 Cb 0.90 1.86 0.11 0.00 -1.52 0.00 0.00 31.29 32.65 1wpk h VAL 109 CO 0.07 0.00 -0.53 0.00 0.02 0.00 0.00 177.57 177.13 1wpk n ALA 110 N -2.09 -1.19 -2.34 1.67 0.00 0.28 -5.02 120.51 111.82 1wpk n ALA 110 Ca 0.03 0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.45 1wpk n ALA 110 Cb 0.52 -3.30 -0.08 0.00 0.00 0.00 0.00 19.45 16.60 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 -5.58 1.75 0.42 0.00 -1.94 -0.77 -5.05 119.30 108.12 1wpk s MET 111 Ca 0.26 -1.97 -0.00 0.00 -1.71 0.00 0.00 55.69 52.26 1wpk s MET 111 Cb -0.11 0.34 -0.02 0.00 2.01 0.00 0.00 34.83 37.04 1wpk s MET 111 CO 0.54 -0.65 0.64 -1.12 -0.01 0.00 0.00 175.02 174.42 1wpk s SER 112 N -3.35 6.06 0.45 3.03 0.01 -1.26 -4.62 113.70 114.02 1wpk s SER 112 Ca 0.40 0.45 0.26 0.00 1.31 0.00 0.00 55.95 58.37 1wpk s SER 112 Cb 0.02 -1.83 1.43 0.00 0.21 0.00 0.00 66.02 65.86 1wpk s SER 112 CO 0.26 -0.53 1.79 -0.65 0.41 0.00 0.00 173.24 174.52 1wpk h PRO 113 N 0.50 0.00 -0.11 12.44 0.11 -1.96 -1.46 132.00 141.51 1wpk h PRO 113 Ca -0.48 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.40 1wpk h PRO 113 Cb 1.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.35 1wpk h PRO 113 CO 0.60 0.00 -0.84 0.74 -0.21 0.00 0.00 178.00 178.29 1wpk h PHE 114 N 0.00 1.02 -0.12 0.65 0.04 -1.99 -2.47 116.94 114.07 1wpk h PHE 114 Ca 0.00 -0.47 -0.02 0.00 2.80 0.00 0.00 57.97 60.27 1wpk h PHE 114 Cb 0.20 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 1wpk h PHE 114 CO 0.00 1.30 -0.01 1.25 -0.60 0.00 0.00 178.31 180.26 1wpk h HIS 115 N 0.49 0.24 -0.27 -0.55 2.76 -1.65 -1.69 115.15 114.48 1wpk h HIS 115 Ca -0.07 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1wpk h HIS 115 Cb 1.47 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.35 1wpk h HIS 115 CO 0.09 0.47 0.17 1.25 -1.30 0.00 0.00 177.93 178.60 1wpk h LEU 116 N -0.06 0.31 0.21 0.26 5.85 -1.62 -0.24 115.31 120.02 1wpk h LEU 116 Ca 0.03 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1wpk h LEU 116 Cb 0.38 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1wpk h LEU 116 CO 0.01 0.26 -0.15 0.45 -0.34 0.00 0.00 178.44 178.66 1wpk h HIS 117 N 0.34 -0.39 -0.38 1.25 3.86 -1.44 0.11 115.15 118.51 1wpk h HIS 117 Ca 0.10 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1wpk h HIS 117 Cb -0.00 0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 1wpk h HIS 117 CO -0.05 -0.23 0.18 0.00 0.86 0.00 0.00 177.93 178.69 1wpk h ARG 118 N -0.36 0.36 -0.53 2.45 3.08 -1.20 0.53 114.38 118.70 1wpk h ARG 118 Ca -0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1wpk h ARG 118 Cb 0.32 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1wpk h ARG 118 CO 0.00 0.24 0.30 1.25 -1.07 0.00 0.00 179.97 180.69 1wpk h LEU 119 N 0.37 0.65 -0.63 3.04 5.85 -0.85 0.73 115.31 124.46 1wpk h LEU 119 Ca 0.16 -0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 1wpk h LEU 119 Cb 0.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1wpk h LEU 119 CO -0.12 0.54 -0.48 0.15 -0.34 0.00 0.00 178.44 178.19 1wpk h PHE 120 N 0.71 0.61 0.01 1.25 3.57 -0.37 -2.25 116.94 120.46 1wpk h PHE 120 Ca 0.19 -0.20 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 1wpk h PHE 120 Cb 0.03 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1wpk h PHE 120 CO -0.02 0.89 -0.90 0.87 -2.23 0.00 0.00 178.31 176.92 1wpk h LYS 121 N 0.40 0.03 0.00 1.11 1.57 0.39 0.24 116.57 120.31 1wpk h LYS 121 Ca 0.02 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1wpk h LYS 121 Cb 0.99 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1wpk h LYS 121 CO 0.09 0.91 -0.31 0.00 -0.57 0.00 0.00 179.45 179.56 1wpk h ALA 122 N 1.08 0.90 0.00 3.86 0.00 0.57 -2.12 119.26 123.55 1wpk h ALA 122 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wpk h ALA 122 Cb 1.58 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1wpk h ALA 122 CO 0.12 0.39 -0.84 2.41 0.00 0.00 0.00 179.25 181.34 1wpk n THR 123 N -3.32 1.36 0.02 0.00 -1.04 -0.86 -4.79 114.28 105.65 1wpk n THR 123 Ca 0.01 0.19 -0.22 0.00 -2.04 0.00 0.00 64.05 61.99 1wpk n THR 123 Cb 0.55 -2.21 -0.14 0.00 -1.82 0.00 0.00 70.33 66.70 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 -0.84 1.08 -1.13 12.58 2.02 -0.80 -3.49 112.91 122.34 1wpk h THR 124 Ca 0.00 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.74 1wpk h THR 124 Cb 0.84 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 70.03 1wpk h THR 124 CO 0.00 0.73 0.00 0.61 0.37 0.00 0.00 175.52 177.23 1wpk n GLY 125 N 1.75 0.89 3.36 2.16 0.00 -0.21 -4.96 105.19 108.18 1wpk n GLY 125 Ca -0.23 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 -4.87 1.19 0.32 1.61 -1.94 -1.26 -4.97 119.30 109.38 1wpk s MET 126 Ca 0.00 -1.14 0.08 0.00 -1.71 0.00 0.00 55.69 52.92 1wpk s MET 126 Cb 0.00 0.39 -0.03 0.00 2.01 0.00 0.00 34.83 37.20 1wpk s MET 126 CO 0.00 -0.44 0.25 0.95 -0.01 0.00 0.00 175.02 175.76 1wpk s THR 127 N -3.96 3.66 0.36 2.05 -4.23 -1.26 -4.45 115.64 107.81 1wpk s THR 127 Ca 0.16 -1.43 0.11 0.00 -1.18 0.00 0.00 61.69 59.35 1wpk s THR 127 Cb 0.03 -3.20 0.33 0.00 1.34 0.00 0.00 72.50 71.01 1wpk s THR 127 CO -0.00 -0.22 1.83 -0.65 -0.54 0.00 0.00 174.62 175.04 1wpk h PRO 128 N 1.35 0.61 -0.18 3.99 0.11 -2.01 0.57 132.00 136.44 1wpk h PRO 128 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1wpk h PRO 128 Cb 1.25 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1wpk h PRO 128 CO 0.59 0.40 0.02 0.87 -0.21 0.00 0.00 178.00 179.68 1wpk h LYS 129 N 0.63 0.30 -0.62 1.05 1.57 -1.98 0.34 116.57 117.87 1wpk h LYS 129 Ca 0.51 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 59.12 1wpk h LYS 129 Cb 0.95 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1wpk h LYS 129 CO -0.26 0.49 0.08 0.00 -0.57 0.00 0.00 179.45 179.19 1wpk h ALA 130 N 0.80 0.83 -0.13 3.86 0.00 -1.67 -0.76 119.26 122.19 1wpk h ALA 130 Ca 0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1wpk h ALA 130 Cb 0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wpk h ALA 130 CO 0.01 0.60 -0.17 -1.49 0.00 0.00 0.00 179.25 178.20 1wpk h TRP 131 N 0.95 0.42 -0.90 0.00 -0.00 -0.86 -1.69 115.95 113.87 1wpk h TRP 131 Ca 0.19 -0.13 -0.00 0.00 -0.00 0.00 0.00 58.89 58.94 1wpk h TRP 131 Cb 0.46 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.16 29.49 1wpk h TRP 131 CO 0.03 0.77 0.55 0.37 -0.00 0.00 0.00 178.44 180.16 1wpk h GLN 132 N -0.05 1.22 0.00 0.49 5.75 -0.27 -1.79 115.11 120.46 1wpk h GLN 132 Ca 0.02 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.36 1wpk h GLN 132 Cb 0.71 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 1wpk h GLN 132 CO 0.04 0.85 -0.25 1.96 -2.65 0.00 0.00 178.83 178.78 1wpk h GLN 133 N 1.24 0.00 -0.14 1.69 4.20 -1.13 -2.80 115.11 118.17 1wpk h GLN 133 Ca 0.32 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.03 1wpk h GLN 133 Cb -0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1wpk h GLN 133 CO -0.06 0.25 0.08 0.00 -0.67 0.00 0.00 178.83 178.43 1wpk h ALA 134 N 1.75 0.18 -0.06 3.87 0.00 -0.39 0.19 119.26 124.80 1wpk h ALA 134 Ca -0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1wpk h ALA 134 Cb 0.84 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1wpk h ALA 134 CO 0.03 -0.29 -0.82 0.11 0.00 0.00 0.00 179.25 178.28 1wpk h TRP 135 N 0.13 0.69 0.23 0.00 5.08 -1.55 -2.75 115.95 117.78 1wpk h TRP 135 Ca 0.05 -0.33 -0.01 0.00 1.08 0.00 0.00 58.89 59.68 1wpk h TRP 135 Cb 0.07 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 26.13 1wpk h TRP 135 CO -0.04 1.12 -0.11 -0.09 -1.28 0.00 0.00 178.44 178.04 1wpk h ARG 136 N 0.31 -0.29 -0.50 0.12 2.43 -1.37 0.14 114.38 115.22 1wpk h ARG 136 Ca -0.06 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1wpk h ARG 136 Cb 1.43 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 31.02 1wpk h ARG 136 CO 0.15 -0.02 0.33 0.00 -1.51 0.00 0.00 179.97 178.92 1wpk h ALA 137 N 0.16 1.70 -0.01 2.80 0.00 -0.70 0.72 119.26 123.93 1wpk h ALA 137 Ca -0.03 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 1wpk h ALA 137 Cb 0.41 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wpk h ALA 137 CO 0.05 0.26 -0.92 -0.09 0.00 0.00 0.00 179.25 178.55 1wpk h ARG 138 N 0.63 0.41 0.00 0.00 2.43 -1.36 -1.16 114.38 115.33 1wpk h ARG 138 Ca 0.19 -0.43 -0.14 0.00 -0.81 0.00 0.00 59.98 58.79 1wpk h ARG 138 Cb 0.01 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1wpk h ARG 138 CO -0.05 1.10 -0.66 -0.09 -1.51 0.00 0.00 179.97 178.76 1wpk h ARG 139 N 0.24 0.00 0.05 0.20 2.43 0.03 -1.89 114.38 115.44 1wpk h ARG 139 Ca -0.07 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.83 1wpk h ARG 139 Cb 1.56 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.08 1wpk h ARG 139 CO 0.16 0.66 -1.37 -0.07 -1.51 0.00 0.00 179.97 177.84 1wpk h LEU 140 N 0.00 0.18 -0.36 3.80 3.38 -0.88 -2.89 115.31 118.53 1wpk h LEU 140 Ca -0.01 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.53 1wpk h LEU 140 Cb 1.16 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1wpk h LEU 140 CO 0.09 1.20 -0.75 -0.09 0.09 0.00 0.00 178.44 178.97 1wpk h ARG 141 N 0.03 0.44 0.00 1.13 2.43 -1.18 -3.18 114.38 114.04 1wpk h ARG 141 Ca -0.16 -0.37 -0.18 0.00 -0.81 0.00 0.00 59.98 58.46 1wpk h ARG 141 Cb 1.93 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 31.54 1wpk h ARG 141 CO 0.14 1.00 -0.83 1.05 -1.51 0.00 0.00 179.97 179.82 1wpk h GLU 142 N 0.29 0.09 -6.89 0.20 -0.00 -1.45 -3.45 114.58 103.37 1wpk h GLU 142 Ca -0.04 -0.09 -0.48 0.00 -0.00 0.00 0.00 59.36 58.75 1wpk h GLU 142 Cb 1.33 0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 30.11 1wpk h GLU 142 CO 0.13 0.87 0.39 0.45 -0.00 0.00 0.00 179.01 180.85 1wpk s SER 143 N -6.85 7.16 -0.83 3.06 0.15 -1.09 -4.97 113.70 110.33 1wpk s SER 143 Ca -0.01 1.98 -0.25 0.00 0.70 0.00 0.00 55.95 58.36 1wpk s SER 143 Cb 0.11 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.85 1wpk s SER 143 CO 0.81 -0.20 1.43 -0.76 1.20 0.00 0.00 173.24 175.71 1wpk s LEU 144 N -2.09 3.29 0.29 3.45 1.43 -1.26 -4.91 118.68 118.88 1wpk s LEU 144 Ca 0.51 -0.73 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 1wpk s LEU 144 Cb -0.22 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.34 1wpk s LEU 144 CO 0.28 -1.83 1.22 0.00 0.23 0.00 0.00 176.35 176.25 1wpk s ALA 145 N 6.04 3.46 -2.67 4.21 0.00 -1.26 -5.20 121.76 126.35 1wpk s ALA 145 Ca 0.44 1.09 0.27 0.00 0.00 0.00 0.00 51.96 53.76 1wpk s ALA 145 Cb -0.06 -3.42 0.76 0.00 0.00 0.00 0.00 23.12 20.41 1wpk s ALA 145 CO 0.06 -0.43 1.58 1.17 0.00 0.00 0.00 175.76 178.15