#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 0.47 0.49 0.03 1.02 -1.26 -5.16 119.74 115.33 1wpk s LYS 2 Ca 0.00 0.59 -0.13 0.00 0.02 0.00 0.00 55.97 56.45 1wpk s LYS 2 Cb 0.00 0.20 -0.06 0.00 -0.52 0.00 0.00 37.83 37.45 1wpk s LYS 2 CO 0.00 -0.07 0.91 0.15 -0.92 0.00 0.00 175.35 175.42 1wpk s LYS 3 N 0.34 3.81 -0.67 1.68 1.02 -1.26 -4.98 119.74 119.68 1wpk s LYS 3 Ca -0.01 0.71 -0.27 0.00 0.02 0.00 0.00 55.97 56.42 1wpk s LYS 3 Cb -0.03 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1wpk s LYS 3 CO -0.01 -0.24 1.58 0.00 -0.92 0.00 0.00 175.35 175.77 1wpk s ALA 4 N -2.64 2.45 -0.29 5.17 0.00 -1.26 -4.91 121.76 120.29 1wpk s ALA 4 Ca 0.55 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 51.34 1wpk s ALA 4 Cb -0.10 -4.28 0.13 0.00 0.00 0.00 0.00 23.12 18.87 1wpk s ALA 4 CO 0.36 -3.59 0.97 0.95 0.00 0.00 0.00 175.76 174.45 1wpk s THR 5 N 7.47 0.00 0.00 0.00 -4.23 -1.26 -5.07 115.64 112.55 1wpk s THR 5 Ca 0.52 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1wpk s THR 5 Cb -0.11 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1wpk s THR 5 CO 0.18 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.26 1wpk n LEU 7 N -2.29 -1.79 -4.34 0.00 7.99 -1.26 -4.96 117.00 110.35 1wpk n LEU 7 Ca 0.00 -0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.80 1wpk n LEU 7 Cb 0.31 -2.56 -0.09 0.00 -0.11 0.00 0.00 43.42 40.97 1wpk n LEU 7 CO 0.00 -0.21 -0.17 0.42 -1.51 0.00 0.00 177.39 175.92 1wpk s THR 8 N -2.87 0.25 0.62 -5.08 -4.23 -1.26 -5.01 115.64 98.05 1wpk s THR 8 Ca 0.00 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.79 1wpk s THR 8 Cb 0.00 -2.47 0.34 0.00 1.34 0.00 0.00 72.50 71.71 1wpk s THR 8 CO 0.00 0.00 1.87 -0.78 -0.54 0.00 0.00 174.62 175.17 1wpk h ASP 9 N 2.14 0.00 -0.17 3.99 3.58 -1.99 -0.04 116.42 123.93 1wpk h ASP 9 Ca -0.31 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.04 1wpk h ASP 9 Cb 1.25 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.30 1wpk h ASP 9 CO 0.48 0.00 -0.29 -0.78 -2.88 0.00 0.00 179.24 175.77 1wpk h ASP 10 N 0.00 0.56 -0.01 2.28 3.58 -1.96 -2.45 116.42 118.42 1wpk h ASP 10 Ca 0.13 -0.53 -0.02 0.00 0.42 0.00 0.00 57.03 57.03 1wpk h ASP 10 Cb 1.04 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1wpk h ASP 10 CO -0.00 0.98 -0.09 -0.61 -2.88 0.00 0.00 179.24 176.64 1wpk h GLN 11 N 0.15 0.07 -0.19 0.28 5.75 -1.42 -2.48 115.11 117.27 1wpk h GLN 11 Ca 0.01 -0.07 0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1wpk h GLN 11 Cb 0.88 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.38 1wpk h GLN 11 CO 0.07 0.80 -0.21 0.00 -2.65 0.00 0.00 178.83 176.83 1wpk h ARG 12 N -0.62 -0.23 0.00 1.69 -0.00 -1.38 0.21 114.38 114.05 1wpk h ARG 12 Ca -0.01 0.02 -0.03 0.00 -0.50 0.00 0.00 59.98 59.46 1wpk h ARG 12 Cb 0.82 0.05 -0.00 0.00 0.00 0.00 0.00 29.97 30.84 1wpk h ARG 12 CO 0.02 -0.15 -0.13 2.35 0.00 0.00 0.00 179.97 182.05 1wpk h TRP 13 N -0.24 0.00 -0.16 3.04 -0.00 -1.55 -2.69 115.95 114.35 1wpk h TRP 13 Ca 0.12 0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.90 1wpk h TRP 13 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.56 1wpk h TRP 13 CO -0.34 0.13 -0.38 1.96 -0.00 0.00 0.00 178.44 179.80 1wpk h GLN 14 N 0.00 0.36 -0.02 2.65 1.08 -0.49 -0.21 115.11 118.47 1wpk h GLN 14 Ca -0.00 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 56.97 1wpk h GLN 14 Cb 0.46 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1wpk h GLN 14 CO 0.02 0.69 -0.24 0.77 -0.95 0.00 0.00 178.83 179.11 1wpk h SER 15 N 0.30 0.25 -0.01 1.46 0.02 -1.03 -2.61 113.55 111.93 1wpk h SER 15 Ca 0.03 -0.71 -0.09 0.00 -0.84 0.00 0.00 61.79 60.18 1wpk h SER 15 Cb 0.81 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1wpk h SER 15 CO 0.07 0.93 -0.25 -0.37 -1.14 0.00 0.00 176.83 176.06 1wpk h VAL 16 N -0.40 1.26 -0.35 2.27 -1.51 -1.55 0.46 116.25 116.43 1wpk h VAL 16 Ca -0.02 -1.24 -0.04 0.00 -1.23 0.00 0.00 66.70 64.17 1wpk h VAL 16 Cb 0.95 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 1wpk h VAL 16 CO 0.05 0.39 0.08 -0.07 -1.23 0.00 0.00 177.57 176.79 1wpk h LEU 17 N 0.38 0.54 -0.80 4.19 -0.00 -1.08 -2.71 115.31 115.83 1wpk h LEU 17 Ca 0.06 -0.24 -0.10 0.00 -0.00 0.00 0.00 57.88 57.59 1wpk h LEU 17 Cb 0.65 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 1wpk h LEU 17 CO 0.05 0.64 -0.49 0.00 -0.00 0.00 0.00 178.44 178.64 1wpk h ALA 18 N 0.92 0.95 -1.94 1.53 0.00 -1.28 -3.47 119.26 115.97 1wpk h ALA 18 Ca 0.11 -0.45 -0.33 0.00 0.00 0.00 0.00 54.91 54.24 1wpk h ALA 18 Cb 0.32 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1wpk h ALA 18 CO 0.00 0.61 -0.39 0.54 0.00 0.00 0.00 179.25 180.02 1wpk n ARG 19 N -3.61 -1.26 -1.55 0.00 3.00 0.14 -4.89 116.66 108.48 1wpk n ARG 19 Ca -0.00 0.87 -0.44 0.00 -0.01 0.00 0.00 57.85 58.26 1wpk n ARG 19 Cb 0.57 -5.22 -0.04 0.00 0.00 0.00 0.00 32.46 27.77 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 -1.00 2.78 0.06 0.55 2.03 -1.23 -4.80 116.55 114.94 1wpk n ASP 20 Ca -0.19 0.14 0.08 0.00 0.52 0.00 0.00 54.79 55.34 1wpk n ASP 20 Cb 0.62 -1.48 0.34 0.00 -0.72 0.00 0.00 41.12 39.88 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 8.67 0.07 -1.03 -0.67 -0.04 -1.26 -2.28 135.00 138.46 1wpk n PRO 21 Ca 0.35 0.40 -0.21 0.00 -0.04 0.00 0.00 63.50 64.00 1wpk n PRO 21 Cb 0.40 -1.67 0.14 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.82 4.10 -1.88 3.54 4.13 -1.26 -4.40 115.26 117.67 1wpk n ASN 22 Ca 0.02 -3.35 -0.10 0.00 1.68 0.00 0.00 54.58 52.83 1wpk n ASN 22 Cb 0.14 -0.81 0.22 0.00 -1.54 0.00 0.00 39.78 37.79 1wpk n ASN 22 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wpk n ALA 23 N -0.81 4.52 -1.55 5.41 0.00 -0.97 -4.92 120.51 122.21 1wpk n ALA 23 Ca 0.50 -2.08 -0.19 0.00 0.00 0.00 0.00 53.44 51.67 1wpk n ALA 23 Cb 1.36 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.32 1.20 0.00 0.00 5.75 -1.26 0.69 116.55 122.60 1wpk n ASP 24 Ca 0.39 -1.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 1wpk n ASP 24 Cb 1.31 -1.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 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 6.45 0.46 0.00 6.12 0.00 -1.26 -5.08 105.19 111.89 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 0.22 -5.00 120.64 113.25 1wpk n GLU 26 Ca 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 1wpk n GLU 26 Cb 0.00 -0.63 -0.07 0.00 -0.57 0.00 0.00 31.44 30.17 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 -0.29 -0.32 -0.07 -0.32 -0.12 -1.19 -4.88 117.98 110.79 1wpk s PHE 27 Ca 0.00 0.73 -0.20 0.00 -0.05 0.00 0.00 56.93 57.41 1wpk s PHE 27 Cb 0.00 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1wpk s PHE 27 CO 0.00 -0.18 0.57 0.08 -0.05 0.00 0.00 175.22 175.64 1wpk s VAL 28 N -0.12 5.07 -0.32 -2.49 1.01 0.34 -3.79 120.40 120.08 1wpk s VAL 28 Ca 0.04 1.17 -0.15 0.00 0.00 0.00 0.00 61.98 63.04 1wpk s VAL 28 Cb -0.04 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1wpk s VAL 28 CO -0.08 0.34 0.36 -0.36 0.00 0.00 0.00 175.10 175.36 1wpk s PHE 29 N 0.41 3.22 -0.11 5.22 0.40 -1.26 0.10 117.98 125.96 1wpk s PHE 29 Ca 0.31 0.08 -0.21 0.00 -0.60 0.00 0.00 56.93 56.50 1wpk s PHE 29 Cb -0.17 -2.64 -0.04 0.00 0.51 0.00 0.00 43.02 40.68 1wpk s PHE 29 CO 0.14 -0.38 0.63 0.00 0.70 0.00 0.00 175.22 176.31 1wpk s ALA 30 N 2.03 3.41 -0.23 5.36 0.00 -0.22 -4.09 121.76 128.03 1wpk s ALA 30 Ca 0.12 -0.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.97 1wpk s ALA 30 Cb -0.16 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1wpk s ALA 30 CO 0.11 -0.16 0.09 0.08 0.00 0.00 0.00 175.76 175.89 1wpk s VAL 31 N 0.96 4.76 -0.02 0.00 1.01 0.29 0.36 120.40 127.76 1wpk s VAL 31 Ca 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 1wpk s VAL 31 Cb -0.17 -3.20 -0.27 0.00 0.00 0.00 0.00 36.38 32.74 1wpk s VAL 31 CO 0.14 0.37 0.76 0.03 0.00 0.00 0.00 175.10 176.41 1wpk h ARG 32 N 7.56 0.24 -0.38 2.72 -0.00 -1.86 0.94 114.38 123.60 1wpk h ARG 32 Ca -0.37 -0.40 0.03 0.00 -0.50 0.00 0.00 59.98 58.74 1wpk h ARG 32 Cb 1.17 0.15 -0.02 0.00 0.00 0.00 0.00 29.97 31.27 1wpk h ARG 32 CO 0.63 1.08 0.25 1.79 0.00 0.00 0.00 179.97 183.72 1wpk h THR 33 N 0.06 1.01 0.00 2.04 1.35 -1.90 -3.23 112.91 112.24 1wpk h THR 33 Ca -0.28 -0.13 -0.12 0.00 -0.55 0.00 0.00 66.41 65.33 1wpk h THR 33 Cb 2.02 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 69.03 1wpk h THR 33 CO 0.15 0.07 -1.47 0.41 -0.25 0.00 0.00 175.52 174.43 1wpk n THR 34 N -4.48 0.47 -0.94 6.82 -1.04 -1.25 -5.05 114.28 108.81 1wpk n THR 34 Ca 0.04 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1wpk n THR 34 Cb 0.17 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 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 2.83 1.20 3.81 3.41 0.00 0.32 -4.94 105.19 111.81 1wpk n GLY 35 Ca -0.13 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.13 1.27 0.22 -0.61 -4.36 -0.81 0.79 121.20 115.57 1wpk s ILE 36 Ca 0.00 -1.84 -0.01 0.00 -0.26 0.00 0.00 60.65 58.54 1wpk s ILE 36 Cb 0.00 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.60 1wpk s ILE 36 CO 0.00 0.00 0.30 2.22 0.24 0.00 0.00 174.94 177.70 1wpk n PHE 37 N -1.44 -1.04 -2.63 1.37 1.16 0.41 0.11 117.46 115.40 1wpk n PHE 37 Ca -0.14 -1.51 -0.22 0.00 -1.87 0.00 0.00 57.45 53.71 1wpk n PHE 37 Cb 0.66 0.34 0.04 0.00 -1.61 0.00 0.00 39.48 38.90 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 -2.53 2.63 0.30 3.97 3.00 -1.19 -0.44 118.95 124.69 1wpk s ARG 39 Ca 0.19 -0.59 0.02 0.00 0.00 0.00 0.00 55.73 55.35 1wpk s ARG 39 Cb -0.00 -2.44 0.75 0.00 0.00 0.00 0.00 34.95 33.26 1wpk s ARG 39 CO 0.13 -0.69 1.60 -1.35 0.00 0.00 0.00 175.30 174.99 1wpk h PRO 40 N 0.03 0.07 0.00 3.54 0.11 -1.78 -3.38 132.00 130.59 1wpk h PRO 40 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1wpk h PRO 40 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1wpk h PRO 40 CO 0.55 0.05 0.00 0.43 -0.21 0.00 0.00 178.00 178.82 1wpk n SER 41 N -5.38 0.00 -0.75 -2.05 7.64 -1.25 -3.18 113.62 108.64 1wpk n SER 41 Ca 0.23 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.19 1wpk n SER 41 Cb 0.75 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.90 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 -3.11 0.21 -2.90 0.00 -4.01 -1.26 -4.39 116.66 101.20 1wpk n ARG 43 Ca -0.05 -0.86 -0.43 0.00 -1.04 0.00 0.00 57.85 55.48 1wpk n ARG 43 Cb 0.35 0.47 -0.05 0.00 -3.04 0.00 0.00 32.46 30.19 1wpk n ARG 43 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1wpk s ALA 44 N 0.02 3.21 -0.53 2.89 0.00 -1.26 -4.97 121.76 121.12 1wpk s ALA 44 Ca 0.01 -1.25 -0.26 0.00 0.00 0.00 0.00 51.96 50.46 1wpk s ALA 44 Cb 0.07 -3.64 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 1wpk s ALA 44 CO -0.02 -2.25 2.42 0.54 0.00 0.00 0.00 175.76 176.45 1wpk n ARG 45 N 7.16 0.97 -2.40 0.00 1.74 -1.26 -4.67 116.66 118.20 1wpk n ARG 45 Ca 0.01 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1wpk n ARG 45 Cb 0.47 -3.44 0.05 0.00 -1.02 0.00 0.00 32.46 28.52 1wpk n ARG 45 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1wpk n HIS 46 N 16.18 0.40 0.00 -1.55 -0.00 -1.26 -5.07 115.22 123.92 1wpk n HIS 46 Ca 0.39 -1.60 0.00 0.00 0.46 0.00 0.00 57.72 56.97 1wpk n HIS 46 Cb 0.53 0.10 0.00 0.00 -0.12 0.00 0.00 29.99 30.50 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 -0.45 0.00 -0.47 1.57 0.00 -1.26 -4.88 120.51 115.02 1wpk n ALA 47 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1wpk n ALA 47 Cb 0.89 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.53 1wpk n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wpk n LEU 48 N 0.00 0.00 -2.16 0.00 4.77 -1.26 -4.81 117.00 113.54 1wpk n LEU 48 Ca 0.00 -0.59 -0.19 0.00 -0.03 0.00 0.00 56.01 55.21 1wpk n LEU 48 Cb 0.00 -0.70 -0.07 0.00 -2.33 0.00 0.00 43.42 40.32 1wpk n LEU 48 CO 0.00 -2.43 1.48 -2.11 -1.33 0.00 0.00 177.39 173.00 1wpk n ARG 49 N -4.18 2.06 0.00 3.23 0.00 -1.26 -3.62 116.66 112.89 1wpk n ARG 49 Ca 0.09 -1.62 0.00 0.00 -0.00 0.00 0.00 57.85 56.32 1wpk n ARG 49 Cb 0.40 -1.91 0.00 0.00 -0.00 0.00 0.00 32.46 30.95 1wpk n ARG 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1wpk n GLU 50 N 1.30 0.00 -1.25 2.89 1.02 -1.26 -4.93 120.64 118.41 1wpk n GLU 50 Ca 0.40 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.27 1wpk n GLU 50 Cb 0.66 -0.09 0.03 0.00 -0.02 0.00 0.00 31.44 32.02 1wpk n GLU 50 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wpk n ASN 51 N -1.54 6.96 -4.02 1.62 3.02 -1.24 -4.89 115.26 115.18 1wpk n ASN 51 Ca 0.00 -3.39 -0.21 0.00 -0.03 0.00 0.00 54.58 50.94 1wpk n ASN 51 Cb 0.00 -1.07 -0.16 0.00 -0.61 0.00 0.00 39.78 37.94 1wpk n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wpk s VAL 52 N -3.35 0.89 0.35 2.41 1.01 -1.26 -3.83 120.40 116.63 1wpk s VAL 52 Ca 0.49 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1wpk s VAL 52 Cb 0.37 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1wpk s VAL 52 CO -0.09 0.28 0.28 -0.55 0.00 0.00 0.00 175.10 175.01 1wpk s SER 53 N 0.24 5.10 0.15 3.32 0.15 0.16 -4.93 113.70 117.88 1wpk s SER 53 Ca -0.04 -0.61 0.09 0.00 0.70 0.00 0.00 55.95 56.09 1wpk s SER 53 Cb -0.10 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 63.34 1wpk s SER 53 CO 0.01 -0.41 -0.17 -0.36 1.20 0.00 0.00 173.24 173.51 1wpk s PHE 54 N -2.37 2.51 0.15 3.44 0.08 -1.26 -1.06 117.98 119.47 1wpk s PHE 54 Ca 0.42 -0.27 -0.18 0.00 0.12 0.00 0.00 56.93 57.02 1wpk s PHE 54 Cb -0.04 -1.29 0.04 0.00 -0.57 0.00 0.00 43.02 41.15 1wpk s PHE 54 CO 0.26 0.43 0.47 0.71 -0.10 0.00 0.00 175.22 177.00 1wpk s TYR 55 N -1.37 -0.23 -0.18 0.36 2.02 0.28 -4.79 117.35 113.44 1wpk s TYR 55 Ca 0.20 -0.07 -0.11 0.00 -0.37 0.00 0.00 57.07 56.72 1wpk s TYR 55 Cb -0.10 0.35 -0.21 0.00 -0.40 0.00 0.00 41.96 41.60 1wpk s TYR 55 CO 0.11 -0.80 0.16 0.00 -1.57 0.00 0.00 175.55 173.46 1wpk n ALA 56 N -0.29 0.97 -3.92 3.71 0.00 -1.26 0.13 120.51 119.84 1wpk n ALA 56 Ca -0.14 -0.69 -0.16 0.00 0.00 0.00 0.00 53.44 52.45 1wpk n ALA 56 Cb 0.64 -0.48 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 1wpk n ALA 56 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wpk n ASN 57 N -3.80 -0.61 -0.00 0.00 6.94 -1.26 -4.29 115.26 112.23 1wpk n ASN 57 Ca -0.36 -2.62 -0.17 0.00 -0.02 0.00 0.00 54.58 51.41 1wpk n ASN 57 Cb 0.92 1.36 -0.10 0.00 -2.36 0.00 0.00 39.78 39.60 1wpk n ASN 57 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wpk h ALA 58 N 1.82 0.15 -0.38 -2.53 0.00 -1.98 -2.97 119.26 113.37 1wpk h ALA 58 Ca -0.18 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.24 1wpk h ALA 58 Cb 0.90 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1wpk h ALA 58 CO 0.26 0.45 0.26 0.77 0.00 0.00 0.00 179.25 180.99 1wpk h SER 59 N 0.12 0.10 0.05 0.00 0.02 -1.97 1.03 113.55 112.90 1wpk h SER 59 Ca -0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1wpk h SER 59 Cb 1.33 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1wpk h SER 59 CO 0.13 0.07 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.53 1wpk h GLU 60 N 0.12 -0.06 -0.09 3.45 4.39 -1.97 -2.33 114.58 118.08 1wpk h GLU 60 Ca 0.18 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.73 1wpk h GLU 60 Cb 0.55 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1wpk h GLU 60 CO -0.02 0.56 -0.62 0.00 -1.16 0.00 0.00 179.01 177.78 1wpk h ALA 61 N -0.05 0.78 -0.26 3.43 0.00 -1.30 -2.99 119.26 118.87 1wpk h ALA 61 Ca -0.01 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 1wpk h ALA 61 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1wpk h ALA 61 CO 0.01 0.73 -0.09 1.25 0.00 0.00 0.00 179.25 181.15 1wpk h LEU 62 N 0.23 0.52 -1.21 0.00 6.46 0.98 -3.04 115.31 119.26 1wpk h LEU 62 Ca -0.01 -0.39 0.03 0.00 -0.12 0.00 0.00 57.88 57.40 1wpk h LEU 62 Cb 1.14 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.88 1wpk h LEU 62 CO 0.10 0.79 0.55 0.00 -0.62 0.00 0.00 178.44 179.26 1wpk h ALA 63 N 0.75 1.47 0.00 1.25 0.00 -1.42 -0.17 119.26 121.14 1wpk h ALA 63 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wpk h ALA 63 Cb 0.58 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wpk h ALA 63 CO 0.03 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1wpk h ALA 64 N 1.51 1.00 0.00 0.00 0.00 -1.42 -3.45 119.26 116.90 1wpk h ALA 64 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1wpk h ALA 64 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wpk h ALA 64 CO -0.09 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.57 1wpk n GLY 65 N -0.74 0.66 2.92 0.00 0.00 -0.09 -5.12 105.19 102.83 1wpk n GLY 65 Ca -0.02 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.97 0.16 0.40 1.61 0.40 -1.16 -4.91 117.98 113.51 1wpk s PHE 66 Ca 0.00 -0.19 -0.23 0.00 -0.60 0.00 0.00 56.93 55.91 1wpk s PHE 66 Cb 0.00 -0.11 -0.10 0.00 0.51 0.00 0.00 43.02 43.32 1wpk s PHE 66 CO 0.00 -0.06 0.96 1.03 0.70 0.00 0.00 175.22 177.85 1wpk s ARG 67 N -0.53 4.31 0.23 0.44 0.52 0.24 -4.37 118.95 119.79 1wpk s ARG 67 Ca -0.05 1.23 -0.25 0.00 -0.52 0.00 0.00 55.73 56.13 1wpk s ARG 67 Cb -0.04 -2.39 -0.09 0.00 0.52 0.00 0.00 34.95 32.96 1wpk s ARG 67 CO -0.00 0.03 0.83 -1.25 0.02 0.00 0.00 175.30 174.93 1wpk s PRO 68 N -2.79 4.56 -0.22 3.54 0.04 -1.26 0.15 135.00 139.02 1wpk s PRO 68 Ca 0.58 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1wpk s PRO 68 Cb -0.13 -3.07 0.05 0.00 0.04 0.00 0.00 34.50 31.38 1wpk s PRO 68 CO 0.18 0.45 -0.11 0.00 0.04 0.00 0.00 177.00 177.56 1wpk n LYS 70 N 4.61 1.60 -1.06 0.00 4.81 -1.26 -3.17 118.16 123.69 1wpk n LYS 70 Ca -0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.27 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 -2.13 1.17 0.00 0.00 177.40 176.44 1wpk n ARG 71 N 0.00 -0.97 -1.74 1.64 0.63 -1.26 -4.82 116.66 110.15 1wpk n ARG 71 Ca 0.00 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 1wpk n ARG 71 Cb 0.00 -4.17 0.06 0.00 0.45 0.00 0.00 32.46 28.81 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 -0.23 -3.74 -1.12 0.00 6.02 -1.26 -3.91 117.38 113.13 1wpk n GLN 73 Ca 0.13 2.89 -0.29 0.00 -0.01 0.00 0.00 57.00 59.72 1wpk n GLN 73 Cb 0.95 -4.03 0.19 0.00 1.02 0.00 0.00 30.24 28.37 1wpk n GLN 73 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wpk s PRO 74 N -0.81 0.09 -0.12 -1.09 0.04 -1.26 -4.50 135.00 127.34 1wpk s PRO 74 Ca -0.15 0.45 0.05 0.00 0.04 0.00 0.00 61.00 61.39 1wpk s PRO 74 Cb 0.01 -1.70 -0.11 0.00 0.04 0.00 0.00 34.50 32.74 1wpk s PRO 74 CO 0.41 -2.95 -0.05 -1.91 0.04 0.00 0.00 177.00 172.54 1wpk n GLU 75 N -4.31 1.20 -3.13 4.56 2.13 -1.26 -4.93 120.64 114.89 1wpk n GLU 75 Ca 0.05 0.04 -0.05 0.00 0.66 0.00 0.00 57.16 57.87 1wpk n GLU 75 Cb 0.57 -1.27 -0.02 0.00 0.27 0.00 0.00 31.44 30.99 1wpk n GLU 75 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1wpk s LYS 76 N -2.26 0.86 0.06 5.31 -0.14 -1.26 -5.15 119.74 117.15 1wpk s LYS 76 Ca -0.12 -0.67 0.08 0.00 -1.36 0.00 0.00 55.97 53.89 1wpk s LYS 76 Cb 0.04 -0.16 -0.03 0.00 -1.68 0.00 0.00 37.83 36.00 1wpk s LYS 76 CO 0.37 -1.24 -0.21 0.00 -0.76 0.00 0.00 175.35 173.51 1wpk s ALA 77 N 1.43 1.82 -0.35 5.17 0.00 -1.26 -5.09 121.76 123.48 1wpk s ALA 77 Ca 0.21 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 1wpk s ALA 77 Cb -0.05 -0.34 0.19 0.00 0.00 0.00 0.00 23.12 22.93 1wpk s ALA 77 CO -0.06 0.40 0.99 1.21 0.00 0.00 0.00 175.76 178.30 1wpk s ASN 78 N -1.33 -0.53 -0.21 0.00 3.84 -1.26 -5.15 114.94 110.30 1wpk s ASN 78 Ca 0.08 -0.37 -0.10 0.00 0.21 0.00 0.00 52.86 52.68 1wpk s ASN 78 Cb -0.09 0.69 -0.05 0.00 -0.55 0.00 0.00 41.25 41.25 1wpk s ASN 78 CO 0.02 -0.05 0.13 0.00 -2.79 0.00 0.00 177.10 174.41 1wpk s ALA 79 N 1.66 3.62 -0.25 1.71 0.00 -1.26 -4.76 121.76 122.47 1wpk s ALA 79 Ca 0.18 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 1wpk s ALA 79 Cb 0.04 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 21.01 1wpk s ALA 79 CO -0.12 0.05 0.12 0.94 0.00 0.00 0.00 175.76 176.75 1wpk n GLN 80 N 3.76 -4.06 -3.48 0.00 -0.06 -1.26 -5.04 117.38 107.24 1wpk n GLN 80 Ca -0.16 3.14 -0.26 0.00 -2.00 0.00 0.00 57.00 57.71 1wpk n GLN 80 Cb 0.52 -5.27 -0.13 0.00 -4.06 0.00 0.00 30.24 21.30 1wpk n GLN 80 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1wpk s GLN 81 N -1.19 0.34 -0.51 3.69 -1.52 -1.26 -5.00 119.66 114.21 1wpk s GLN 81 Ca -0.14 -0.71 0.01 0.00 -1.95 0.00 0.00 55.36 52.57 1wpk s GLN 81 Cb 0.01 -1.09 0.49 0.00 -0.22 0.00 0.00 33.01 32.20 1wpk s GLN 81 CO 0.80 -1.09 1.94 0.72 -0.25 0.00 0.00 175.29 177.41 1wpk n HIS 82 N 4.86 2.84 0.18 0.91 8.25 -1.26 -4.51 115.22 126.49 1wpk n HIS 82 Ca 0.01 -2.34 0.03 0.00 -0.26 0.00 0.00 57.72 55.16 1wpk n HIS 82 Cb 0.42 -1.15 0.39 0.00 1.12 0.00 0.00 29.99 30.77 1wpk n HIS 82 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1wpk h ARG 83 N 1.46 0.05 0.02 -0.41 0.11 -1.99 -0.44 114.38 113.17 1wpk h ARG 83 Ca 0.56 -0.01 -0.22 0.00 0.10 0.00 0.00 59.98 60.40 1wpk h ARG 83 Cb 1.64 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.71 1wpk h ARG 83 CO 1.24 0.33 -0.96 1.25 0.10 0.00 0.00 179.97 181.94 1wpk h LEU 84 N 0.04 0.44 -0.30 0.08 7.12 -1.94 -2.74 115.31 118.00 1wpk h LEU 84 Ca 0.00 -0.37 -0.19 0.00 0.13 0.00 0.00 57.88 57.46 1wpk h LEU 84 Cb 0.53 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.52 1wpk h LEU 84 CO 0.04 1.18 -0.86 -0.78 -0.13 0.00 0.00 178.44 177.88 1wpk h ASP 85 N 0.18 0.23 0.22 1.25 1.82 -1.81 -2.89 116.42 115.42 1wpk h ASP 85 Ca -0.08 -0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 56.37 1wpk h ASP 85 Cb 1.60 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.55 1wpk h ASP 85 CO 0.16 0.98 -0.11 0.50 -1.61 0.00 0.00 179.24 179.16 1wpk h LYS 86 N 0.10 -0.29 -0.45 0.28 3.64 -1.12 -2.91 116.57 115.82 1wpk h LYS 86 Ca -0.04 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1wpk h LYS 86 Cb 1.49 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.35 1wpk h LYS 86 CO 0.13 0.07 0.31 -0.84 -2.27 0.00 0.00 179.45 176.85 1wpk h ILE 87 N -0.73 0.96 -0.84 2.00 -0.00 -1.59 -0.80 117.51 116.51 1wpk h ILE 87 Ca -0.03 -0.12 -0.02 0.00 -0.00 0.00 0.00 64.86 64.68 1wpk h ILE 87 Cb 0.49 0.57 -0.04 0.00 -0.00 0.00 0.00 36.82 37.84 1wpk h ILE 87 CO 0.05 0.06 0.43 0.74 -0.00 0.00 0.00 178.15 179.43 1wpk h THR 88 N 0.36 1.25 -0.06 0.16 2.02 -1.45 0.11 112.91 115.30 1wpk h THR 88 Ca 0.20 -0.67 -0.11 0.00 0.77 0.00 0.00 66.41 66.60 1wpk h THR 88 Cb 0.33 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1wpk h THR 88 CO -0.05 0.29 -0.47 0.45 0.37 0.00 0.00 175.52 176.11 1wpk h HIS 89 N 1.18 0.18 -0.06 3.16 3.86 -0.96 -2.86 115.15 119.65 1wpk h HIS 89 Ca 0.29 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.36 1wpk h HIS 89 Cb 0.07 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1wpk h HIS 89 CO 0.01 0.60 -0.31 0.00 0.86 0.00 0.00 177.93 179.09 1wpk h ALA 90 N 1.39 0.12 -1.00 2.45 0.00 -0.79 -2.12 119.26 119.32 1wpk h ALA 90 Ca 0.01 -0.44 0.09 0.00 0.00 0.00 0.00 54.91 54.56 1wpk h ALA 90 Cb 0.88 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1wpk h ALA 90 CO 0.07 0.17 0.64 0.00 0.00 0.00 0.00 179.25 180.13 1wpk h ARG 92 N 1.09 0.01 -0.19 0.00 2.47 -1.54 -3.19 114.38 113.03 1wpk h ARG 92 Ca 0.46 -0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 59.01 1wpk h ARG 92 Cb 0.31 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1wpk h ARG 92 CO -0.21 0.78 -0.56 1.25 0.56 0.00 0.00 179.97 181.79 1wpk h LEU 93 N 0.01 0.64 -3.84 3.04 7.12 -0.46 -3.10 115.31 118.72 1wpk h LEU 93 Ca -0.01 -0.34 -0.55 0.00 0.13 0.00 0.00 57.88 57.10 1wpk h LEU 93 Cb 1.37 -0.18 -0.26 0.00 -0.53 0.00 0.00 40.66 41.05 1wpk h LEU 93 CO 0.10 1.06 0.71 -0.11 -0.13 0.00 0.00 178.44 180.08 1wpk n LEU 94 N -3.96 7.09 -3.71 2.25 7.94 0.05 -4.73 117.00 121.92 1wpk n LEU 94 Ca -0.03 -3.85 -0.29 0.00 -1.11 0.00 0.00 56.01 50.73 1wpk n LEU 94 Cb 0.61 -0.94 -0.12 0.00 0.53 0.00 0.00 43.42 43.50 1wpk n LEU 94 CO 0.47 1.28 -0.19 -0.70 -1.11 0.00 0.00 177.39 177.14 1wpk s GLU 95 N -3.22 1.61 0.27 1.96 2.12 -1.17 -4.99 118.70 115.26 1wpk s GLU 95 Ca 0.55 -2.48 -0.14 0.00 0.36 0.00 0.00 54.97 53.27 1wpk s GLU 95 Cb 0.44 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 32.30 1wpk s GLU 95 CO 0.02 -1.25 0.53 1.14 -0.54 0.00 0.00 175.26 175.17 1wpk s GLN 96 N -0.31 1.64 0.21 4.30 -2.07 -1.26 -5.01 119.66 117.17 1wpk s GLN 96 Ca 0.23 -1.25 0.07 0.00 -1.82 0.00 0.00 55.36 52.58 1wpk s GLN 96 Cb -0.12 0.50 0.14 0.00 -1.09 0.00 0.00 33.01 32.44 1wpk s GLN 96 CO -0.09 -0.70 1.48 1.49 -1.32 0.00 0.00 175.29 176.15 1wpk h GLU 97 N 2.19 0.10 -6.72 9.60 4.22 -2.01 -3.44 114.58 118.52 1wpk h GLU 97 Ca -0.25 -0.09 -0.50 0.00 0.08 0.00 0.00 59.36 58.60 1wpk h GLU 97 Cb 1.25 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1wpk h GLU 97 CO 0.34 0.80 0.38 0.99 -2.18 0.00 0.00 179.01 179.34 1wpk s THR 98 N -3.37 4.05 0.37 0.32 2.01 -1.26 -5.02 115.64 112.74 1wpk s THR 98 Ca -0.02 1.97 -0.27 0.00 0.31 0.00 0.00 61.69 63.69 1wpk s THR 98 Cb 0.11 -4.25 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1wpk s THR 98 CO 0.80 0.43 1.22 -2.16 -0.69 0.00 0.00 174.62 174.22 1wpk s PRO 99 N -0.95 4.17 0.08 4.92 0.04 -1.26 -5.02 135.00 136.97 1wpk s PRO 99 Ca 0.43 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.49 1wpk s PRO 99 Cb -0.27 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.40 1wpk s PRO 99 CO 0.33 -0.26 -0.10 0.14 0.04 0.00 0.00 177.00 177.14 1wpk s VAL 100 N -1.29 0.88 0.33 -0.36 -7.23 -1.26 -5.15 120.40 106.32 1wpk s VAL 100 Ca 0.54 -1.44 -0.13 0.00 -1.81 0.00 0.00 61.98 59.14 1wpk s VAL 100 Cb -0.34 -1.12 -0.08 0.00 0.56 0.00 0.00 36.38 35.39 1wpk s VAL 100 CO 0.44 -0.45 0.71 0.42 -0.31 0.00 0.00 175.10 175.92 1wpk s THR 101 N -1.95 4.75 0.15 5.32 -4.23 -1.26 -5.00 115.64 113.42 1wpk s THR 101 Ca 0.00 0.78 -0.15 0.00 -1.18 0.00 0.00 61.69 61.14 1wpk s THR 101 Cb -0.06 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 70.16 1wpk s THR 101 CO 0.00 -0.25 1.74 0.25 -0.54 0.00 0.00 174.62 175.82 1wpk h LEU 102 N 2.05 0.58 -2.17 4.79 6.46 -2.02 -2.19 115.31 122.81 1wpk h LEU 102 Ca -0.48 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.20 1wpk h LEU 102 Cb 1.18 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.96 1wpk h LEU 102 CO 0.66 0.53 0.08 1.05 -0.62 0.00 0.00 178.44 180.13 1wpk h GLU 103 N 0.59 0.00 -0.31 1.25 4.11 -1.98 -2.06 114.58 116.17 1wpk h GLU 103 Ca 0.16 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.63 1wpk h GLU 103 Cb 0.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1wpk h GLU 103 CO -0.02 0.00 0.03 0.00 0.07 0.00 0.00 179.01 179.09 1wpk h ALA 104 N 1.93 0.30 -0.07 1.06 0.00 -1.79 0.45 119.26 121.15 1wpk h ALA 104 Ca 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1wpk h ALA 104 Cb 0.20 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1wpk h ALA 104 CO -0.00 -0.38 -0.06 1.25 0.00 0.00 0.00 179.25 180.06 1wpk h LEU 105 N 0.13 0.09 -1.08 0.00 7.12 -1.45 0.49 115.31 120.61 1wpk h LEU 105 Ca 0.15 -0.01 -0.08 0.00 0.13 0.00 0.00 57.88 58.07 1wpk h LEU 105 Cb 0.18 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 1wpk h LEU 105 CO -0.22 0.17 -0.36 0.00 -0.13 0.00 0.00 178.44 177.90 1wpk h ALA 106 N 1.84 1.08 -0.15 1.25 0.00 -0.44 -1.94 119.26 120.89 1wpk h ALA 106 Ca 0.02 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 1wpk h ALA 106 Cb 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wpk h ALA 106 CO 0.01 0.45 -0.62 0.22 0.00 0.00 0.00 179.25 179.31 1wpk h ASP 107 N 0.00 0.60 0.47 0.00 1.82 0.20 0.10 116.42 119.62 1wpk h ASP 107 Ca -0.00 -0.34 -0.30 0.00 -0.39 0.00 0.00 57.03 55.99 1wpk h ASP 107 Cb 0.81 -0.17 0.02 0.00 0.68 0.00 0.00 39.33 40.67 1wpk h ASP 107 CO 0.05 1.07 -1.36 -0.61 -1.61 0.00 0.00 179.24 176.78 1wpk h GLN 108 N 0.39 0.38 0.00 0.28 4.15 -1.32 -3.29 115.11 115.70 1wpk h GLN 108 Ca -0.01 -0.65 -0.02 0.00 0.77 0.00 0.00 58.65 58.74 1wpk h GLN 108 Cb 1.17 0.24 -0.00 0.00 0.21 0.00 0.00 27.48 29.10 1wpk h GLN 108 CO 0.11 1.31 -0.25 -0.24 -1.93 0.00 0.00 178.83 177.83 1wpk h VAL 109 N 0.10 0.14 -4.08 2.39 3.04 -1.39 -3.48 116.25 112.98 1wpk h VAL 109 Ca -0.19 -1.20 -0.29 0.00 -1.01 0.00 0.00 66.70 64.00 1wpk h VAL 109 Cb 2.06 1.99 0.08 0.00 -2.01 0.00 0.00 31.29 33.41 1wpk h VAL 109 CO 0.23 0.08 -0.48 0.00 -1.01 0.00 0.00 177.57 176.39 1wpk n ALA 110 N -2.14 -0.86 -2.82 3.17 0.00 0.32 -5.02 120.51 113.17 1wpk n ALA 110 Ca 0.03 0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.63 1wpk n ALA 110 Cb 0.57 -3.71 -0.09 0.00 0.00 0.00 0.00 19.45 16.22 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 -5.73 0.56 0.94 0.00 -1.94 -1.07 -5.06 119.30 107.01 1wpk s MET 111 Ca 0.35 -0.67 -0.11 0.00 -1.71 0.00 0.00 55.69 53.55 1wpk s MET 111 Cb -0.15 0.22 0.16 0.00 2.01 0.00 0.00 34.83 37.07 1wpk s MET 111 CO 0.43 -0.14 1.10 -1.12 -0.01 0.00 0.00 175.02 175.28 1wpk s SER 112 N -1.95 2.85 0.38 3.03 0.01 -1.26 -4.59 113.70 112.17 1wpk s SER 112 Ca -0.07 1.87 0.25 0.00 1.31 0.00 0.00 55.95 59.30 1wpk s SER 112 Cb -0.03 -2.43 1.35 0.00 0.21 0.00 0.00 66.02 65.12 1wpk s SER 112 CO -0.03 -3.09 1.76 -0.65 0.41 0.00 0.00 173.24 171.63 1wpk h PRO 113 N -1.86 0.00 -0.11 12.44 0.11 -1.96 -1.77 132.00 138.85 1wpk h PRO 113 Ca -0.48 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.41 1wpk h PRO 113 Cb 1.28 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 1wpk h PRO 113 CO 0.47 0.00 -0.81 0.74 -0.21 0.00 0.00 178.00 178.19 1wpk h PHE 114 N 0.00 0.89 -0.10 0.65 -1.00 -1.99 -2.06 116.94 113.34 1wpk h PHE 114 Ca 0.00 -0.41 -0.06 0.00 2.81 0.00 0.00 57.97 60.31 1wpk h PHE 114 Cb 0.04 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.47 1wpk h PHE 114 CO 0.00 1.22 -0.16 0.45 -1.61 0.00 0.00 178.31 178.22 1wpk h HIS 115 N 0.43 0.35 -0.00 -0.55 3.86 -1.66 -2.01 115.15 115.57 1wpk h HIS 115 Ca -0.06 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1wpk h HIS 115 Cb 1.42 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.83 1wpk h HIS 115 CO 0.07 0.75 0.00 1.25 0.86 0.00 0.00 177.93 180.87 1wpk h LEU 116 N -0.16 0.00 0.12 2.43 5.85 -1.62 -0.96 115.31 120.96 1wpk h LEU 116 Ca 0.01 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1wpk h LEU 116 Cb 0.72 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1wpk h LEU 116 CO 0.04 0.09 -0.14 -0.74 -0.34 0.00 0.00 178.44 177.35 1wpk h HIS 117 N -0.09 -0.36 -0.43 1.25 2.76 -1.44 0.69 115.15 117.52 1wpk h HIS 117 Ca 0.00 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.23 1wpk h HIS 117 Cb 0.09 0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.15 1wpk h HIS 117 CO -0.05 -0.21 0.15 0.00 -1.30 0.00 0.00 177.93 176.52 1wpk h ARG 118 N -0.29 0.31 -0.39 5.26 3.08 -1.31 0.41 114.38 121.45 1wpk h ARG 118 Ca 0.01 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 1wpk h ARG 118 Cb 0.29 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1wpk h ARG 118 CO -0.05 0.20 -0.31 1.25 -1.07 0.00 0.00 179.97 179.99 1wpk h LEU 119 N 0.32 0.94 -1.15 3.04 5.85 -0.93 -0.08 115.31 123.29 1wpk h LEU 119 Ca 0.20 -0.45 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 1wpk h LEU 119 Cb 0.20 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1wpk h LEU 119 CO -0.21 1.19 -0.36 0.15 -0.34 0.00 0.00 178.44 178.86 1wpk h PHE 120 N 0.70 0.12 0.22 1.25 3.04 0.85 -2.63 116.94 120.49 1wpk h PHE 120 Ca 0.07 -0.03 -0.30 0.00 3.98 0.00 0.00 57.97 61.70 1wpk h PHE 120 Cb 0.89 -0.03 0.03 0.00 2.56 0.00 0.00 35.95 39.40 1wpk h PHE 120 CO 0.06 0.46 -1.33 0.87 -2.02 0.00 0.00 178.31 176.36 1wpk h LYS 121 N 0.10 0.46 0.00 1.11 1.57 -0.07 -1.56 116.57 118.17 1wpk h LYS 121 Ca 0.01 -0.78 -0.01 0.00 -1.87 0.00 0.00 60.65 58.00 1wpk h LYS 121 Cb 0.69 0.29 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 1wpk h LYS 121 CO 0.05 1.37 -0.04 0.00 -0.57 0.00 0.00 179.45 180.26 1wpk h ALA 122 N 0.12 1.31 0.02 3.86 0.00 -0.94 0.85 119.26 124.48 1wpk h ALA 122 Ca -0.24 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.28 1wpk h ALA 122 Cb 2.01 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.74 1wpk h ALA 122 CO 0.23 0.05 -2.00 -2.37 0.00 0.00 0.00 179.25 175.16 1wpk n THR 123 N -3.59 1.56 -0.10 0.00 5.66 -1.00 -4.77 114.28 112.05 1wpk n THR 123 Ca -0.02 -0.31 -0.14 0.00 -3.05 0.00 0.00 64.05 60.53 1wpk n THR 123 Cb 0.15 -1.86 -0.05 0.00 -1.55 0.00 0.00 70.33 67.01 1wpk n THR 123 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1wpk n THR 124 N -4.09 1.48 0.00 1.09 -2.24 -0.59 -5.03 114.28 104.90 1wpk n THR 124 Ca -0.42 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1wpk n THR 124 Cb 0.85 -2.22 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 1wpk n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpk n GLY 125 N 1.47 1.74 3.82 3.38 0.00 0.29 -5.01 105.19 110.89 1wpk n GLY 125 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.08 3.66 0.81 1.61 1.00 -1.26 -4.90 119.30 120.14 1wpk s MET 126 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 55.69 55.38 1wpk s MET 126 Cb 0.00 -3.24 0.08 0.00 0.00 0.00 0.00 34.83 31.66 1wpk s MET 126 CO 0.00 0.62 1.12 -2.37 0.00 0.00 0.00 175.02 174.39 1wpk n THR 127 N 2.50 1.87 -0.17 2.05 5.66 -1.26 -4.74 114.28 120.19 1wpk n THR 127 Ca -0.19 -0.21 0.10 0.00 -3.05 0.00 0.00 64.05 60.71 1wpk n THR 127 Cb 0.54 -1.14 0.42 0.00 -1.55 0.00 0.00 70.33 68.61 1wpk n THR 127 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1wpk h PRO 128 N -0.93 0.58 -0.04 1.09 0.11 -1.96 -0.24 132.00 130.60 1wpk h PRO 128 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1wpk h PRO 128 Cb 1.30 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1wpk h PRO 128 CO 0.45 0.38 -0.08 -0.22 -0.21 0.00 0.00 178.00 178.32 1wpk h LYS 129 N 0.59 0.05 -0.02 1.05 3.64 -2.01 -1.77 116.57 118.10 1wpk h LYS 129 Ca 0.34 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.56 1wpk h LYS 129 Cb 0.52 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1wpk h LYS 129 CO -0.12 0.14 -0.66 0.00 -2.27 0.00 0.00 179.45 176.55 1wpk h ALA 130 N 1.87 0.87 -0.12 5.00 0.00 -1.37 -2.84 119.26 122.67 1wpk h ALA 130 Ca 0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1wpk h ALA 130 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1wpk h ALA 130 CO 0.01 0.80 0.06 -1.49 0.00 0.00 0.00 179.25 178.62 1wpk h TRP 131 N 0.06 0.17 -0.63 0.00 -0.00 -1.21 0.82 115.95 115.17 1wpk h TRP 131 Ca -0.01 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.89 58.81 1wpk h TRP 131 Cb 1.17 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.16 30.25 1wpk h TRP 131 CO 0.01 0.23 0.14 1.96 -0.00 0.00 0.00 178.44 180.78 1wpk h GLN 132 N 0.06 1.01 -0.11 0.49 4.20 -1.55 0.56 115.11 119.76 1wpk h GLN 132 Ca 0.04 -0.23 -0.20 0.00 0.06 0.00 0.00 58.65 58.32 1wpk h GLN 132 Cb 0.13 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 27.78 1wpk h GLN 132 CO -0.00 0.90 -0.70 1.96 -0.67 0.00 0.00 178.83 180.32 1wpk h GLN 133 N 0.96 0.67 -0.32 1.46 4.20 -1.29 -2.73 115.11 118.06 1wpk h GLN 133 Ca 0.20 -0.57 -0.09 0.00 0.06 0.00 0.00 58.65 58.24 1wpk h GLN 133 Cb 0.36 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1wpk h GLN 133 CO 0.00 1.19 -0.19 0.00 -0.67 0.00 0.00 178.83 179.16 1wpk h ALA 134 N 0.49 1.08 -0.22 3.87 0.00 0.82 -2.03 119.26 123.28 1wpk h ALA 134 Ca -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1wpk h ALA 134 Cb 1.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1wpk h ALA 134 CO 0.14 0.56 -0.01 2.35 0.00 0.00 0.00 179.25 182.30 1wpk h TRP 135 N 0.52 0.43 -0.46 0.00 7.01 -0.90 -2.68 115.95 119.87 1wpk h TRP 135 Ca 0.08 -0.08 -0.05 0.00 2.11 0.00 0.00 58.89 60.96 1wpk h TRP 135 Cb 0.62 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 1wpk h TRP 135 CO 0.02 0.59 0.08 -0.09 -2.79 0.00 0.00 178.44 176.25 1wpk h ARG 136 N 0.16 0.71 -0.11 2.65 2.43 -1.39 -2.23 114.38 116.59 1wpk h ARG 136 Ca 0.06 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1wpk h ARG 136 Cb 0.42 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1wpk h ARG 136 CO 0.01 0.67 -0.12 0.00 -1.51 0.00 0.00 179.97 179.01 1wpk h ALA 137 N 1.41 1.58 -0.05 2.80 0.00 -1.23 -2.19 119.26 121.58 1wpk h ALA 137 Ca 0.15 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1wpk h ALA 137 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wpk h ALA 137 CO 0.00 0.30 -0.70 -0.09 0.00 0.00 0.00 179.25 178.76 1wpk h ARG 138 N 0.17 0.25 -0.05 0.00 1.12 -1.07 -0.69 114.38 114.11 1wpk h ARG 138 Ca 0.04 -0.20 -0.13 0.00 -1.11 0.00 0.00 59.98 58.57 1wpk h ARG 138 Cb 0.33 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.32 1wpk h ARG 138 CO 0.02 0.85 -0.56 -0.09 -3.11 0.00 0.00 179.97 177.09 1wpk h ARG 139 N 0.17 0.15 0.14 0.20 9.65 -1.15 -2.81 114.38 120.73 1wpk h ARG 139 Ca -0.02 -0.09 -0.31 0.00 -1.10 0.00 0.00 59.98 58.46 1wpk h ARG 139 Cb 1.25 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.84 1wpk h ARG 139 CO 0.11 0.67 -1.51 1.25 2.80 0.00 0.00 179.97 183.29 1wpk h LEU 140 N 0.11 0.45 -1.01 3.80 7.12 -1.35 0.20 115.31 124.63 1wpk h LEU 140 Ca -0.00 -0.59 0.01 0.00 0.13 0.00 0.00 57.88 57.43 1wpk h LEU 140 Cb 1.02 -0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 40.95 1wpk h LEU 140 CO 0.08 1.48 0.65 -0.09 -0.13 0.00 0.00 178.44 180.44 1wpk h ARG 141 N 0.08 1.31 0.00 1.25 2.43 -1.10 -3.32 114.38 115.03 1wpk h ARG 141 Ca -0.24 -0.08 -0.21 0.00 -0.81 0.00 0.00 59.98 58.64 1wpk h ARG 141 Cb 2.03 -0.29 -0.03 0.00 -0.42 0.00 0.00 29.97 31.25 1wpk h ARG 141 CO 0.18 0.87 -1.58 0.39 -1.51 0.00 0.00 179.97 178.32 1wpk n GLU 142 N -4.38 0.55 0.00 0.20 1.02 -1.06 -4.96 120.64 112.00 1wpk n GLU 142 Ca 0.12 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1wpk n GLU 142 Cb 0.02 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 -4.39 0.00 -2.66 1.62 2.88 0.71 -4.79 113.62 106.99 1wpk n SER 143 Ca -0.31 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.18 1wpk n SER 143 Cb 0.65 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.07 1wpk n SER 143 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1wpk n LEU 144 N 0.00 -6.23 -4.58 2.46 7.94 -1.26 -4.94 117.00 110.39 1wpk n LEU 144 Ca 0.00 2.12 -0.40 0.00 -1.11 0.00 0.00 56.01 56.63 1wpk n LEU 144 Cb 0.00 -3.16 -0.09 0.00 0.53 0.00 0.00 43.42 40.70 1wpk n LEU 144 CO 0.00 -3.89 0.04 0.00 -1.11 0.00 0.00 177.39 172.43 1wpk s ALA 145 N -0.73 3.53 0.00 1.96 0.00 -1.26 -5.23 121.76 120.04 1wpk s ALA 145 Ca -0.24 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1wpk s ALA 145 Cb 0.02 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1wpk s ALA 145 CO 0.73 -0.82 0.00 1.63 0.00 0.00 0.00 175.76 177.31