#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 0.21 0.03 2.12 2.20 -1.26 -5.14 119.74 117.90 1wpk s LYS 2 Ca 0.00 0.23 -0.27 0.00 -0.36 0.00 0.00 55.97 55.56 1wpk s LYS 2 Cb 0.00 -1.12 -0.04 0.00 -1.51 0.00 0.00 37.83 35.16 1wpk s LYS 2 CO 0.00 -0.67 0.86 0.21 -0.36 0.00 0.00 175.35 175.39 1wpk s LYS 3 N 2.35 4.55 0.21 4.03 2.20 -1.26 -5.06 119.74 126.76 1wpk s LYS 3 Ca 0.08 1.22 0.07 0.00 -0.36 0.00 0.00 55.97 56.98 1wpk s LYS 3 Cb -0.16 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1wpk s LYS 3 CO -0.13 0.13 0.10 0.00 -0.36 0.00 0.00 175.35 175.09 1wpk s ALA 4 N 0.42 3.43 0.57 3.13 0.00 -1.26 -5.00 121.76 123.06 1wpk s ALA 4 Ca 0.44 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1wpk s ALA 4 Cb -0.21 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.74 1wpk s ALA 4 CO 0.25 0.39 0.00 2.41 0.00 0.00 0.00 175.76 178.81 1wpk n THR 5 N -0.63 -0.74 0.00 0.00 -1.04 -1.23 -4.85 114.28 105.78 1wpk n THR 5 Ca -0.08 0.83 0.00 0.00 -2.04 0.00 0.00 64.05 62.76 1wpk n THR 5 Cb 0.56 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 1wpk n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wpk n LEU 7 N -1.88 0.00 -4.27 0.00 -0.00 -1.26 -5.09 117.00 104.50 1wpk n LEU 7 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.85 1wpk n LEU 7 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1wpk n LEU 7 CO 0.00 0.00 -0.21 0.28 -0.00 0.00 0.00 177.39 177.46 1wpk s THR 8 N 0.00 0.19 0.18 1.47 -1.32 -1.26 -5.06 115.64 109.83 1wpk s THR 8 Ca 0.00 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.44 1wpk s THR 8 Cb 0.00 -2.53 -0.08 0.00 -1.51 0.00 0.00 72.50 68.39 1wpk s THR 8 CO 0.00 0.00 1.46 -2.24 -2.21 0.00 0.00 174.62 171.63 1wpk h ASP 9 N 2.40 0.64 -0.23 8.08 3.04 -2.01 -3.10 116.42 125.23 1wpk h ASP 9 Ca -0.34 -0.36 -0.14 0.00 -3.24 0.00 0.00 57.03 52.94 1wpk h ASP 9 Cb 1.25 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 39.35 1wpk h ASP 9 CO 0.52 1.10 -0.41 -0.78 -2.04 0.00 0.00 179.24 177.62 1wpk h ASP 10 N 0.42 0.76 -0.12 4.15 3.58 -2.00 -2.85 116.42 120.36 1wpk h ASP 10 Ca -0.01 -0.53 0.03 0.00 0.42 0.00 0.00 57.03 56.94 1wpk h ASP 10 Cb 1.17 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 1wpk h ASP 10 CO 0.11 1.15 0.09 -0.61 -2.88 0.00 0.00 179.24 177.10 1wpk h GLN 11 N 0.40 0.05 -0.01 0.28 5.75 -1.97 -2.54 115.11 117.08 1wpk h GLN 11 Ca 0.01 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1wpk h GLN 11 Cb 1.01 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.55 1wpk h GLN 11 CO 0.09 0.03 -0.05 0.00 -2.65 0.00 0.00 178.83 176.26 1wpk h ARG 12 N 0.05 0.04 -0.31 1.69 3.08 -1.46 -3.17 114.38 114.30 1wpk h ARG 12 Ca 0.05 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.16 1wpk h ARG 12 Cb 0.16 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1wpk h ARG 12 CO -0.00 0.74 0.43 2.35 -1.07 0.00 0.00 179.97 182.42 1wpk h TRP 13 N -0.64 0.00 0.38 3.04 -0.00 -1.22 -1.78 115.95 115.73 1wpk h TRP 13 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.87 1wpk h TRP 13 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.92 1wpk h TRP 13 CO 0.17 0.00 -0.18 1.96 -0.00 0.00 0.00 178.44 180.39 1wpk h GLN 14 N 0.00 -0.49 -0.62 2.65 1.08 -1.46 -2.50 115.11 113.77 1wpk h GLN 14 Ca 0.15 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.46 1wpk h GLN 14 Cb 1.02 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.52 1wpk h GLN 14 CO -0.00 -0.21 0.41 0.77 -0.95 0.00 0.00 178.83 178.85 1wpk h SER 15 N -0.74 0.50 -0.51 1.46 0.02 -1.43 -0.81 113.55 112.04 1wpk h SER 15 Ca -0.05 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1wpk h SER 15 Cb 0.51 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1wpk h SER 15 CO 0.09 0.32 0.08 0.58 -1.14 0.00 0.00 176.83 176.76 1wpk h VAL 16 N 0.56 1.25 0.00 2.27 2.07 -1.44 -1.79 116.25 119.17 1wpk h VAL 16 Ca 0.27 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 1wpk h VAL 16 Cb 0.35 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1wpk h VAL 16 CO -0.08 0.33 -0.50 -0.07 0.02 0.00 0.00 177.57 177.27 1wpk h LEU 17 N 0.71 0.00 0.00 2.57 3.38 -0.87 -2.80 115.31 118.31 1wpk h LEU 17 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1wpk h LEU 17 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1wpk h LEU 17 CO 0.01 0.50 -0.08 0.00 0.09 0.00 0.00 178.44 178.95 1wpk n ALA 18 N -2.37 2.53 -2.70 1.53 0.00 -0.39 -4.90 120.51 114.21 1wpk n ALA 18 Ca -0.01 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1wpk n ALA 18 Cb 0.56 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.50 -2.67 -1.53 0.00 1.85 -0.70 -4.77 116.66 107.34 1wpk n ARG 19 Ca 0.07 0.21 -0.45 0.00 -1.00 0.00 0.00 57.85 56.68 1wpk n ARG 19 Cb 0.34 -4.76 -0.05 0.00 -1.05 0.00 0.00 32.46 26.94 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 -1.71 2.56 0.15 2.89 2.03 -1.24 -4.77 116.55 116.47 1wpk n ASP 20 Ca -0.03 0.17 0.12 0.00 0.52 0.00 0.00 54.79 55.56 1wpk n ASP 20 Cb 0.53 -1.42 0.55 0.00 -0.72 0.00 0.00 41.12 40.06 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 8.58 0.17 -1.11 -0.67 -0.04 -1.26 -2.09 135.00 138.58 1wpk n PRO 21 Ca 0.37 0.54 -0.22 0.00 -0.04 0.00 0.00 63.50 64.14 1wpk n PRO 21 Cb 0.36 -1.93 0.15 0.00 -0.04 0.00 0.00 33.50 32.04 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 -2.27 4.13 -1.90 3.54 4.13 -1.26 -4.43 115.26 117.20 1wpk n ASN 22 Ca 0.00 -3.45 -0.12 0.00 1.68 0.00 0.00 54.58 52.69 1wpk n ASN 22 Cb 0.13 -0.83 0.20 0.00 -1.54 0.00 0.00 39.78 37.74 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 -0.92 4.65 -1.55 5.41 0.00 -0.89 -4.92 120.51 122.29 1wpk n ALA 23 Ca 0.54 -2.14 -0.20 0.00 0.00 0.00 0.00 53.44 51.63 1wpk n ALA 23 Cb 1.43 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.46 1.39 0.00 0.00 8.00 -1.26 0.50 116.55 124.72 1wpk n ASP 24 Ca 0.42 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.84 1wpk n ASP 24 Cb 1.34 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 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 1.08 0.00 0.44 0.00 -1.26 -5.07 105.19 106.83 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 0.18 -4.50 120.64 119.00 1wpk n GLU 26 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 1wpk n GLU 26 Cb 0.00 -0.51 -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 -0.25 -0.45 -0.02 -0.32 -0.71 -1.19 -3.52 117.98 111.52 1wpk s PHE 27 Ca 0.00 1.07 -0.19 0.00 -1.04 0.00 0.00 56.93 56.77 1wpk s PHE 27 Cb 0.00 0.37 -0.05 0.00 -1.21 0.00 0.00 43.02 42.13 1wpk s PHE 27 CO 0.00 -0.22 0.55 0.14 -1.34 0.00 0.00 175.22 174.35 1wpk s VAL 28 N 0.38 4.97 -0.34 -2.49 -7.23 0.19 -3.92 120.40 111.96 1wpk s VAL 28 Ca 0.02 1.14 -0.20 0.00 -1.81 0.00 0.00 61.98 61.13 1wpk s VAL 28 Cb -0.05 -3.88 -0.00 0.00 0.56 0.00 0.00 36.38 33.01 1wpk s VAL 28 CO -0.08 0.43 0.61 -0.36 -0.31 0.00 0.00 175.10 175.39 1wpk s PHE 29 N -0.18 3.17 -0.07 2.82 0.08 -1.26 -1.35 117.98 121.20 1wpk s PHE 29 Ca 0.29 0.38 -0.22 0.00 0.12 0.00 0.00 56.93 57.51 1wpk s PHE 29 Cb -0.17 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.17 1wpk s PHE 29 CO 0.15 -0.57 0.62 0.00 -0.10 0.00 0.00 175.22 175.33 1wpk s ALA 30 N 2.64 3.40 -0.24 5.36 0.00 0.27 -4.01 121.76 129.16 1wpk s ALA 30 Ca 0.24 0.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.15 1wpk s ALA 30 Cb -0.15 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1wpk s ALA 30 CO 0.14 -0.02 0.11 0.08 0.00 0.00 0.00 175.76 176.07 1wpk s VAL 31 N 0.55 4.78 0.02 0.00 1.01 0.43 -0.35 120.40 126.84 1wpk s VAL 31 Ca 0.33 -0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.40 1wpk s VAL 31 Cb -0.17 -3.23 -0.18 0.00 0.00 0.00 0.00 36.38 32.80 1wpk s VAL 31 CO 0.16 0.34 1.09 -0.09 0.00 0.00 0.00 175.10 176.60 1wpk h ARG 32 N 7.88 0.00 -0.20 2.72 1.12 -1.69 1.06 114.38 125.27 1wpk h ARG 32 Ca -0.37 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.37 1wpk h ARG 32 Cb 1.18 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.13 1wpk h ARG 32 CO 0.60 0.74 -0.42 1.79 -3.11 0.00 0.00 179.97 179.58 1wpk h THR 33 N 0.00 1.31 0.00 0.20 1.35 -1.88 -3.32 112.91 110.57 1wpk h THR 33 Ca -0.10 -1.58 -0.10 0.00 -0.55 0.00 0.00 66.41 64.09 1wpk h THR 33 Cb 1.78 1.61 -0.02 0.00 -1.73 0.00 0.00 68.15 69.79 1wpk h THR 33 CO 0.10 0.49 -1.55 0.35 -0.25 0.00 0.00 175.52 174.66 1wpk n THR 34 N -4.02 0.36 -2.27 6.82 -2.24 -1.25 -5.03 114.28 106.65 1wpk n THR 34 Ca -0.02 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1wpk n THR 34 Cb 0.51 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1wpk n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpk n GLY 35 N 2.23 0.81 3.19 3.38 0.00 0.36 -4.94 105.19 110.23 1wpk n GLY 35 Ca -0.09 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.69 1.30 0.14 -0.61 -4.36 -0.90 -0.61 121.20 113.46 1wpk s ILE 36 Ca 0.00 -1.17 0.01 0.00 -0.26 0.00 0.00 60.65 59.23 1wpk s ILE 36 Cb 0.00 -1.18 0.01 0.00 1.25 0.00 0.00 42.46 42.54 1wpk s ILE 36 CO 0.00 -0.01 0.04 2.22 0.24 0.00 0.00 174.94 177.43 1wpk n PHE 37 N 1.66 -0.34 -2.53 1.37 1.16 0.32 0.16 117.46 119.27 1wpk n PHE 37 Ca -0.19 -0.64 -0.23 0.00 -1.87 0.00 0.00 57.45 54.53 1wpk n PHE 37 Cb 0.54 -0.10 0.04 0.00 -1.61 0.00 0.00 39.48 38.36 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 2.49 0.28 3.97 1.81 -1.18 -1.34 118.95 122.46 1wpk s ARG 39 Ca 0.03 -0.58 0.00 0.00 -1.72 0.00 0.00 55.73 53.47 1wpk s ARG 39 Cb -0.00 -2.39 0.67 0.00 -0.45 0.00 0.00 34.95 32.78 1wpk s ARG 39 CO 0.02 -0.84 1.63 -1.35 -0.68 0.00 0.00 175.30 174.08 1wpk h PRO 40 N -0.11 0.13 0.00 3.54 0.11 -1.83 -3.38 132.00 130.46 1wpk h PRO 40 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1wpk h PRO 40 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1wpk h PRO 40 CO 0.55 0.09 0.00 0.43 -0.21 0.00 0.00 178.00 178.86 1wpk n SER 41 N -5.31 0.00 -0.10 -2.05 7.64 -1.26 -3.15 113.62 109.39 1wpk n SER 41 Ca 0.20 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.09 1wpk n SER 41 Cb 0.67 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.86 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 -2.11 0.71 -3.99 0.00 0.63 -1.26 -4.50 116.66 106.15 1wpk n ARG 43 Ca -0.01 -1.53 -0.34 0.00 -0.92 0.00 0.00 57.85 55.05 1wpk n ARG 43 Cb 0.05 -0.91 -0.15 0.00 0.45 0.00 0.00 32.46 31.90 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 0.33 2.65 -0.59 5.13 0.00 -1.26 -5.04 121.76 122.98 1wpk s ALA 44 Ca 0.25 -1.43 -0.26 0.00 0.00 0.00 0.00 51.96 50.52 1wpk s ALA 44 Cb 0.27 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 1wpk s ALA 44 CO -0.13 -0.75 2.11 1.03 0.00 0.00 0.00 175.76 178.02 1wpk s ARG 45 N 1.31 2.35 -0.07 0.00 0.52 -1.26 -4.59 118.95 117.22 1wpk s ARG 45 Ca 0.01 0.87 0.09 0.00 -0.52 0.00 0.00 55.73 56.18 1wpk s ARG 45 Cb -0.16 -4.53 0.19 0.00 0.52 0.00 0.00 34.95 30.97 1wpk s ARG 45 CO -0.06 -3.08 1.13 1.58 0.02 0.00 0.00 175.30 174.90 1wpk n HIS 46 N 14.40 -0.27 0.00 -0.53 -0.00 -1.26 -5.07 115.22 122.50 1wpk n HIS 46 Ca 0.29 -0.80 0.00 0.00 0.46 0.00 0.00 57.72 57.67 1wpk n HIS 46 Cb 0.53 0.50 0.00 0.00 -0.12 0.00 0.00 29.99 30.90 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 -0.19 0.00 -0.90 1.57 0.00 -1.26 -4.82 120.51 114.90 1wpk n ALA 47 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 1wpk n ALA 47 Cb 0.83 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.35 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 -3.13 0.00 4.77 -1.26 -4.73 117.00 112.65 1wpk n LEU 48 Ca 0.00 -0.26 -0.35 0.00 -0.03 0.00 0.00 56.01 55.37 1wpk n LEU 48 Cb 0.00 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1wpk n LEU 48 CO 0.00 -1.59 2.81 -2.11 -1.33 0.00 0.00 177.39 175.17 1wpk n ARG 49 N -2.69 3.64 0.00 3.23 0.00 -1.26 -3.35 116.66 116.23 1wpk n ARG 49 Ca 0.04 -2.38 0.00 0.00 -0.00 0.00 0.00 57.85 55.51 1wpk n ARG 49 Cb 0.15 -2.61 0.00 0.00 -0.00 0.00 0.00 32.46 30.00 1wpk n ARG 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1wpk n GLU 50 N 2.79 0.00 -0.64 2.89 0.28 -1.26 -4.94 120.64 119.76 1wpk n GLU 50 Ca 0.68 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.72 1wpk n GLU 50 Cb 0.34 0.00 0.27 0.00 1.43 0.00 0.00 31.44 33.49 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 -0.74 4.24 -4.25 -1.84 4.13 -1.21 -4.89 115.26 110.70 1wpk n ASN 51 Ca 0.00 -2.67 -0.22 0.00 1.68 0.00 0.00 54.58 53.37 1wpk n ASN 51 Cb 0.00 -0.64 -0.12 0.00 -1.54 0.00 0.00 39.78 37.48 1wpk n ASN 51 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1wpk s VAL 52 N -2.22 1.53 -0.10 2.41 0.11 -1.24 -1.94 120.40 118.94 1wpk s VAL 52 Ca 0.38 -1.43 0.03 0.00 -2.93 0.00 0.00 61.98 58.02 1wpk s VAL 52 Cb 0.29 -1.40 0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1wpk s VAL 52 CO 0.11 -0.08 -0.20 -0.55 -3.33 0.00 0.00 175.10 171.05 1wpk s SER 53 N -1.78 2.74 -0.18 3.54 0.15 0.52 -4.91 113.70 113.78 1wpk s SER 53 Ca 0.04 -0.50 -0.22 0.00 0.70 0.00 0.00 55.95 55.98 1wpk s SER 53 Cb -0.10 -1.25 -0.02 0.00 -1.71 0.00 0.00 66.02 62.94 1wpk s SER 53 CO 0.03 0.09 0.66 -0.36 1.20 0.00 0.00 173.24 174.87 1wpk s PHE 54 N 0.63 3.40 -0.02 3.44 0.08 -1.26 0.94 117.98 125.19 1wpk s PHE 54 Ca -0.13 1.00 0.05 0.00 0.12 0.00 0.00 56.93 57.97 1wpk s PHE 54 Cb -0.16 -2.83 -0.01 0.00 -0.57 0.00 0.00 43.02 39.44 1wpk s PHE 54 CO 0.04 -0.16 -0.18 0.71 -0.10 0.00 0.00 175.22 175.52 1wpk s TYR 55 N 1.86 1.64 0.15 0.36 2.02 -0.45 -4.98 117.35 117.95 1wpk s TYR 55 Ca 0.31 -0.33 -0.14 0.00 -0.37 0.00 0.00 57.07 56.54 1wpk s TYR 55 Cb -0.16 -1.06 0.04 0.00 -0.40 0.00 0.00 41.96 40.38 1wpk s TYR 55 CO 0.11 -0.04 1.72 0.00 -1.57 0.00 0.00 175.55 175.77 1wpk h ALA 56 N 5.75 0.65 -4.65 3.71 0.00 -1.86 0.55 119.26 123.40 1wpk h ALA 56 Ca -0.37 -0.14 -0.43 0.00 0.00 0.00 0.00 54.91 53.98 1wpk h ALA 56 Cb 1.15 -0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.63 1wpk h ALA 56 CO 0.48 0.24 -0.41 -1.71 0.00 0.00 0.00 179.25 177.85 1wpk n ASN 57 N -4.58 -0.37 0.06 0.00 4.05 -1.26 -4.30 115.26 108.86 1wpk n ASN 57 Ca 0.02 -2.91 -0.21 0.00 0.45 0.00 0.00 54.58 51.93 1wpk n ASN 57 Cb 0.14 1.38 -0.12 0.00 1.23 0.00 0.00 39.78 42.41 1wpk n ASN 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1wpk h ALA 58 N 1.89 0.04 -0.42 5.20 0.00 -1.98 -3.04 119.26 120.94 1wpk h ALA 58 Ca -0.21 -0.71 0.09 0.00 0.00 0.00 0.00 54.91 54.08 1wpk h ALA 58 Cb 1.05 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1wpk h ALA 58 CO 0.32 0.60 0.29 0.66 0.00 0.00 0.00 179.25 181.12 1wpk h SER 59 N 0.20 0.16 0.05 0.00 4.64 -1.97 0.96 113.55 117.59 1wpk h SER 59 Ca -0.15 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1wpk h SER 59 Cb 1.73 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1wpk h SER 59 CO 0.20 0.10 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.90 1wpk h GLU 60 N 0.17 -0.07 -0.20 4.77 4.39 -1.98 -2.61 114.58 119.07 1wpk h GLU 60 Ca 0.20 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.82 1wpk h GLU 60 Cb 0.55 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1wpk h GLU 60 CO -0.03 0.56 -0.18 0.00 -1.16 0.00 0.00 179.01 178.20 1wpk h ALA 61 N -0.06 0.28 -0.59 3.43 0.00 -1.34 -2.96 119.26 118.03 1wpk h ALA 61 Ca -0.01 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1wpk h ALA 61 Cb 0.66 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1wpk h ALA 61 CO 0.01 0.20 0.34 1.25 0.00 0.00 0.00 179.25 181.05 1wpk h LEU 62 N 0.14 0.53 -1.21 0.00 6.46 0.81 -2.01 115.31 120.03 1wpk h LEU 62 Ca 0.03 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1wpk h LEU 62 Cb 0.72 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.51 1wpk h LEU 62 CO 0.05 0.36 0.55 0.00 -0.62 0.00 0.00 178.44 178.77 1wpk h ALA 63 N 1.28 1.48 0.00 1.25 0.00 -1.47 -0.08 119.26 121.73 1wpk h ALA 63 Ca 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1wpk h ALA 63 Cb 0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1wpk h ALA 63 CO -0.13 0.44 -0.00 0.00 0.00 0.00 0.00 179.25 179.55 1wpk h ALA 64 N 1.51 1.04 0.00 0.00 0.00 -1.19 -3.45 119.26 117.18 1wpk h ALA 64 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1wpk h ALA 64 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 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 -1.09 0.95 3.24 0.00 0.00 -0.06 -5.13 105.19 103.12 1wpk n GLY 65 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.70 2.06 0.20 1.61 0.40 -1.14 -4.93 117.98 114.48 1wpk s PHE 66 Ca 0.00 -0.45 -0.30 0.00 -0.60 0.00 0.00 56.93 55.58 1wpk s PHE 66 Cb 0.00 -1.34 -0.08 0.00 0.51 0.00 0.00 43.02 42.11 1wpk s PHE 66 CO 0.00 -0.08 0.96 1.03 0.70 0.00 0.00 175.22 177.84 1wpk s ARG 67 N -0.42 4.79 0.22 0.44 0.52 0.22 -4.27 118.95 120.45 1wpk s ARG 67 Ca 0.06 1.51 -0.28 0.00 -0.52 0.00 0.00 55.73 56.50 1wpk s ARG 67 Cb -0.10 -3.30 -0.09 0.00 0.52 0.00 0.00 34.95 31.98 1wpk s ARG 67 CO 0.00 0.39 0.88 -1.25 0.02 0.00 0.00 175.30 175.34 1wpk s PRO 68 N -0.80 4.72 -0.48 3.54 0.04 -1.26 0.12 135.00 140.89 1wpk s PRO 68 Ca 0.43 1.35 -0.09 0.00 0.04 0.00 0.00 61.00 62.73 1wpk s PRO 68 Cb -0.26 -3.22 0.12 0.00 0.04 0.00 0.00 34.50 31.19 1wpk s PRO 68 CO 0.32 0.51 0.35 0.00 0.04 0.00 0.00 177.00 178.22 1wpk n LYS 70 N 4.87 1.13 0.19 0.00 2.85 -1.26 -3.13 118.16 122.80 1wpk n LYS 70 Ca -0.07 -0.41 0.18 0.00 -1.05 0.00 0.00 58.31 56.96 1wpk n LYS 70 Cb 0.41 -1.49 0.79 0.00 -0.65 0.00 0.00 35.03 34.08 1wpk n LYS 70 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 1wpk h ARG 71 N 1.01 0.00 -0.66 -1.58 2.43 -2.00 0.83 114.38 114.41 1wpk h ARG 71 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1wpk h ARG 71 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1wpk h ARG 71 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 1wpk n GLN 73 N 0.63 -4.24 0.09 0.00 6.02 0.29 -4.66 117.38 115.51 1wpk n GLN 73 Ca 0.21 3.21 -0.19 0.00 -0.01 0.00 0.00 57.00 60.22 1wpk n GLN 73 Cb 0.89 -3.75 -0.11 0.00 1.02 0.00 0.00 30.24 28.28 1wpk n GLN 73 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1wpk h PRO 74 N 1.06 0.49 0.00 -1.09 0.13 -1.84 -3.46 132.00 127.28 1wpk h PRO 74 Ca 0.00 -0.66 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1wpk h PRO 74 Cb 0.35 0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1wpk h PRO 74 CO 0.00 1.28 0.00 -0.85 -0.23 0.00 0.00 178.00 178.20 1wpk n GLU 75 N -3.71 0.00 0.00 0.86 0.28 -1.26 -4.90 120.64 111.91 1wpk n GLU 75 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1wpk n GLU 75 Cb 0.97 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.84 1wpk n GLU 75 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wpk n LYS 76 N -1.86 0.00 -2.72 3.44 4.76 -1.26 -4.97 118.16 115.54 1wpk n LYS 76 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 1wpk n LYS 76 Cb 0.00 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.25 1wpk n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wpk n ALA 77 N -2.00 1.07 -0.10 7.82 0.00 -1.26 -5.03 120.51 121.01 1wpk n ALA 77 Ca 0.00 -1.83 -0.15 0.00 0.00 0.00 0.00 53.44 51.46 1wpk n ALA 77 Cb 0.00 0.50 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 1wpk n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wpk n ASN 78 N -2.41 1.86 -1.27 0.00 4.13 -1.26 -4.69 115.26 111.62 1wpk n ASN 78 Ca 0.14 0.48 0.13 0.00 1.68 0.00 0.00 54.58 57.00 1wpk n ASN 78 Cb 0.52 -0.89 -0.03 0.00 -1.54 0.00 0.00 39.78 37.84 1wpk n ASN 78 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wpk n ALA 79 N -3.74 -2.41 -1.78 5.41 0.00 -1.26 -4.40 120.51 112.33 1wpk n ALA 79 Ca -0.25 0.29 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 1wpk n ALA 79 Cb 0.55 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 1wpk n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wpk s GLN 80 N -1.44 2.39 0.01 0.00 -0.21 -1.26 -4.90 119.66 114.25 1wpk s GLN 80 Ca 0.00 1.09 0.00 0.00 0.02 0.00 0.00 55.36 56.47 1wpk s GLN 80 Cb 0.00 -4.48 -0.00 0.00 1.00 0.00 0.00 33.01 29.53 1wpk s GLN 80 CO 0.00 -2.97 0.00 1.04 -2.12 0.00 0.00 175.29 171.24 1wpk n GLN 81 N 9.06 1.07 -2.35 2.91 1.13 -1.26 -4.84 117.38 123.10 1wpk n GLN 81 Ca 0.29 -0.11 -0.21 0.00 -1.94 0.00 0.00 57.00 55.03 1wpk n GLN 81 Cb 0.53 0.06 -0.02 0.00 0.11 0.00 0.00 30.24 30.92 1wpk n GLN 81 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1wpk n HIS 82 N -0.03 -0.93 -0.03 1.08 8.25 -1.26 -4.89 115.22 117.40 1wpk n HIS 82 Ca -0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 1wpk n HIS 82 Cb 0.02 -3.96 -0.09 0.00 1.12 0.00 0.00 29.99 27.07 1wpk n HIS 82 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wpk h ARG 83 N 0.00 0.15 -0.02 -0.41 3.08 -2.00 -2.81 114.38 112.36 1wpk h ARG 83 Ca -0.49 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.33 1wpk h ARG 83 Cb 1.37 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.42 1wpk h ARG 83 CO 0.59 0.68 -0.59 1.25 -1.07 0.00 0.00 179.97 180.83 1wpk h LEU 84 N -0.36 0.09 -1.33 3.04 6.46 -1.95 -2.97 115.31 118.28 1wpk h LEU 84 Ca 0.00 -0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.66 1wpk h LEU 84 Cb 0.67 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1wpk h LEU 84 CO 0.02 0.66 -0.13 -0.78 -0.62 0.00 0.00 178.44 177.59 1wpk h ASP 85 N 0.06 0.28 0.32 1.25 3.58 -1.95 -1.18 116.42 118.78 1wpk h ASP 85 Ca -0.01 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 1wpk h ASP 85 Cb 1.06 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1wpk h ASP 85 CO 0.08 0.44 -0.15 0.11 -2.88 0.00 0.00 179.24 176.83 1wpk h LYS 86 N 0.28 -0.42 -0.42 0.28 1.57 -1.34 -2.89 116.57 113.64 1wpk h LYS 86 Ca 0.06 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1wpk h LYS 86 Cb 0.40 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1wpk h LYS 86 CO 0.02 -0.12 0.28 -0.84 -0.57 0.00 0.00 179.45 178.23 1wpk h ILE 87 N -0.99 0.94 -0.66 1.86 -0.00 -1.51 -0.52 117.51 116.63 1wpk h ILE 87 Ca -0.04 -0.10 -0.04 0.00 -0.00 0.00 0.00 64.86 64.68 1wpk h ILE 87 Cb 0.49 0.63 -0.03 0.00 -0.00 0.00 0.00 36.82 37.91 1wpk h ILE 87 CO 0.07 0.05 0.24 0.74 -0.00 0.00 0.00 178.15 179.26 1wpk h THR 88 N 0.29 1.23 -0.10 0.16 2.02 -1.23 0.63 112.91 115.91 1wpk h THR 88 Ca 0.18 -0.76 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 1wpk h THR 88 Cb 0.37 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1wpk h THR 88 CO -0.04 0.30 -0.46 0.45 0.37 0.00 0.00 175.52 176.14 1wpk h HIS 89 N 0.95 0.30 -0.10 3.16 3.86 -0.88 -2.89 115.15 119.54 1wpk h HIS 89 Ca 0.22 -0.09 -0.17 0.00 -1.16 0.00 0.00 60.37 59.17 1wpk h HIS 89 Cb 0.22 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 28.63 1wpk h HIS 89 CO 0.02 0.67 -0.60 0.00 0.86 0.00 0.00 177.93 178.87 1wpk h ALA 90 N 1.32 0.21 -0.73 2.45 0.00 -0.89 -2.02 119.26 119.61 1wpk h ALA 90 Ca 0.01 -0.54 0.07 0.00 0.00 0.00 0.00 54.91 54.45 1wpk h ALA 90 Cb 0.89 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1wpk h ALA 90 CO 0.07 0.46 0.41 0.00 0.00 0.00 0.00 179.25 180.19 1wpk h ARG 92 N 0.72 0.07 -0.00 0.00 3.08 -1.55 -3.04 114.38 113.66 1wpk h ARG 92 Ca 0.34 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1wpk h ARG 92 Cb 0.25 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1wpk h ARG 92 CO -0.21 0.76 0.00 1.25 -1.07 0.00 0.00 179.97 180.71 1wpk h LEU 93 N 0.05 0.00 -3.72 3.04 7.12 -0.48 -1.41 115.31 119.91 1wpk h LEU 93 Ca -0.01 0.00 -0.49 0.00 0.13 0.00 0.00 57.88 57.51 1wpk h LEU 93 Cb 1.28 0.00 -0.24 0.00 -0.53 0.00 0.00 40.66 41.17 1wpk h LEU 93 CO 0.10 0.00 0.63 -0.11 -0.13 0.00 0.00 178.44 178.93 1wpk n LEU 94 N -3.94 6.66 0.00 2.25 7.94 -1.01 -4.95 117.00 123.96 1wpk n LEU 94 Ca -0.03 -3.58 -0.11 0.00 -1.11 0.00 0.00 56.01 51.18 1wpk n LEU 94 Cb 0.09 -0.89 0.06 0.00 0.53 0.00 0.00 43.42 43.21 1wpk n LEU 94 CO 0.28 1.17 0.29 -0.62 -1.11 0.00 0.00 177.39 177.40 1wpk n GLU 95 N -0.65 0.07 -0.61 1.96 -0.58 -0.53 -4.99 120.64 115.31 1wpk n GLU 95 Ca 0.50 -1.17 0.08 0.00 -0.42 0.00 0.00 57.16 56.15 1wpk n GLU 95 Cb 1.04 -0.38 -0.02 0.00 -0.57 0.00 0.00 31.44 31.51 1wpk n GLU 95 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1wpk n GLN 96 N -1.95 -1.22 -0.94 3.49 6.02 -1.26 -4.41 117.38 117.11 1wpk n GLN 96 Ca 0.08 0.80 -0.07 0.00 -0.01 0.00 0.00 57.00 57.80 1wpk n GLN 96 Cb 0.27 -1.49 0.18 0.00 1.02 0.00 0.00 30.24 30.22 1wpk n GLN 96 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1wpk n GLU 97 N -2.49 2.00 -4.22 -1.09 4.71 -1.26 -5.01 120.64 113.28 1wpk n GLU 97 Ca 0.00 -3.29 -0.33 0.00 -0.01 0.00 0.00 57.16 53.53 1wpk n GLU 97 Cb 0.28 -1.87 -0.08 0.00 -1.01 0.00 0.00 31.44 28.76 1wpk n GLU 97 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1wpk s THR 98 N -3.44 4.42 -0.54 2.62 2.01 -1.26 -5.03 115.64 114.43 1wpk s THR 98 Ca 0.46 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 1wpk s THR 98 Cb 0.41 -2.98 -0.11 0.00 0.01 0.00 0.00 72.50 69.84 1wpk s THR 98 CO -0.00 0.40 2.41 -2.65 -0.69 0.00 0.00 174.62 174.08 1wpk n PRO 99 N 1.43 0.92 -3.27 4.92 -0.02 -1.26 -4.91 135.00 132.81 1wpk n PRO 99 Ca -0.15 0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 61.04 1wpk n PRO 99 Cb 0.53 -2.80 -0.08 0.00 -0.02 0.00 0.00 33.50 31.13 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 10.05 5.06 0.21 -1.45 1.01 -1.26 -5.05 120.40 128.97 1wpk s VAL 100 Ca 1.09 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 63.23 1wpk s VAL 100 Cb -0.57 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 31.83 1wpk s VAL 100 CO 0.37 -0.09 1.27 0.42 0.00 0.00 0.00 175.10 177.06 1wpk s THR 101 N 2.31 3.28 0.17 3.92 -4.23 -1.26 -4.94 115.64 114.90 1wpk s THR 101 Ca 0.18 1.09 -0.14 0.00 -1.18 0.00 0.00 61.69 61.65 1wpk s THR 101 Cb -0.16 -3.70 0.07 0.00 1.34 0.00 0.00 72.50 70.06 1wpk s THR 101 CO 0.12 0.18 1.82 0.25 -0.54 0.00 0.00 174.62 176.45 1wpk h LEU 102 N 5.10 0.65 -2.14 4.79 6.46 -2.02 -1.90 115.31 126.24 1wpk h LEU 102 Ca -0.45 -0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.32 1wpk h LEU 102 Cb 1.22 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 1wpk h LEU 102 CO 0.75 0.50 0.16 1.05 -0.62 0.00 0.00 178.44 180.28 1wpk h GLU 103 N 0.74 0.00 -0.40 1.25 4.11 -1.98 -1.78 114.58 116.52 1wpk h GLU 103 Ca 0.20 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.69 1wpk h GLU 103 Cb -0.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1wpk h GLU 103 CO -0.04 0.00 0.11 0.00 0.07 0.00 0.00 179.01 179.15 1wpk h ALA 104 N 1.86 0.46 -0.05 1.06 0.00 -1.73 0.59 119.26 121.45 1wpk h ALA 104 Ca 0.09 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1wpk h ALA 104 Cb 0.40 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wpk h ALA 104 CO -0.00 -0.29 -0.14 -0.07 0.00 0.00 0.00 179.25 178.75 1wpk h LEU 105 N 0.25 0.07 -0.89 0.00 4.07 -1.41 -0.42 115.31 116.98 1wpk h LEU 105 Ca 0.19 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.05 1wpk h LEU 105 Cb 0.20 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1wpk h LEU 105 CO -0.22 0.22 -0.43 0.00 -1.08 0.00 0.00 178.44 176.93 1wpk h ALA 106 N 1.79 1.00 -0.07 1.53 0.00 -0.42 -2.82 119.26 120.27 1wpk h ALA 106 Ca 0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1wpk h ALA 106 Cb 0.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wpk h ALA 106 CO 0.02 0.54 -0.06 0.22 0.00 0.00 0.00 179.25 179.97 1wpk h ASP 107 N 0.00 0.17 -0.60 0.00 3.58 0.17 0.50 116.42 120.24 1wpk h ASP 107 Ca -0.00 -0.47 -0.04 0.00 0.42 0.00 0.00 57.03 56.93 1wpk h ASP 107 Cb 0.94 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.92 1wpk h ASP 107 CO 0.06 0.60 0.22 0.06 -2.88 0.00 0.00 179.24 177.30 1wpk h GLN 108 N -0.27 0.94 0.00 0.28 3.07 -1.47 -2.46 115.11 115.20 1wpk h GLN 108 Ca 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 58.65 58.58 1wpk h GLN 108 Cb 0.55 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 27.96 1wpk h GLN 108 CO 0.01 0.80 -0.44 -0.39 0.09 0.00 0.00 178.83 178.90 1wpk h VAL 109 N 0.92 0.00 -3.63 1.86 -1.51 -1.50 -3.48 116.25 108.92 1wpk h VAL 109 Ca 0.21 -0.94 -0.28 0.00 -1.23 0.00 0.00 66.70 64.46 1wpk h VAL 109 Cb 0.23 1.72 0.06 0.00 -2.13 0.00 0.00 31.29 31.17 1wpk h VAL 109 CO -0.01 0.00 -0.44 0.00 -1.23 0.00 0.00 177.57 175.89 1wpk n ALA 110 N -2.10 -0.75 -2.27 5.19 0.00 0.16 -5.01 120.51 115.72 1wpk n ALA 110 Ca 0.02 0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.53 1wpk n ALA 110 Cb 0.53 -3.26 -0.09 0.00 0.00 0.00 0.00 19.45 16.63 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 -5.54 1.49 0.59 0.00 -1.94 -0.52 -5.03 119.30 108.35 1wpk s MET 111 Ca 0.28 -1.83 -0.06 0.00 -1.71 0.00 0.00 55.69 52.36 1wpk s MET 111 Cb -0.12 0.14 0.00 0.00 2.01 0.00 0.00 34.83 36.86 1wpk s MET 111 CO 0.34 -0.48 0.91 0.45 -0.01 0.00 0.00 175.02 176.24 1wpk s SER 112 N -3.29 5.64 0.63 3.03 0.15 -1.26 -4.59 113.70 114.01 1wpk s SER 112 Ca 0.38 0.78 0.29 0.00 0.70 0.00 0.00 55.95 58.11 1wpk s SER 112 Cb 0.05 -1.78 1.57 0.00 -1.71 0.00 0.00 66.02 64.15 1wpk s SER 112 CO 0.18 -1.05 1.92 -0.65 1.20 0.00 0.00 173.24 174.85 1wpk h PRO 113 N -0.19 0.00 -0.09 5.44 0.11 -1.96 0.94 132.00 136.25 1wpk h PRO 113 Ca -0.45 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 1wpk h PRO 113 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1wpk h PRO 113 CO 0.61 0.00 -0.72 0.74 -0.21 0.00 0.00 178.00 178.42 1wpk h PHE 114 N 0.00 0.62 -0.05 0.65 -1.00 -1.99 -1.44 116.94 113.73 1wpk h PHE 114 Ca 0.09 -0.27 -0.03 0.00 2.81 0.00 0.00 57.97 60.57 1wpk h PHE 114 Cb 0.85 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.32 1wpk h PHE 114 CO 0.00 1.03 -0.11 0.45 -1.61 0.00 0.00 178.31 178.07 1wpk h HIS 115 N 0.32 0.20 -0.69 -0.55 3.86 -1.18 -2.65 115.15 114.45 1wpk h HIS 115 Ca -0.03 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.03 1wpk h HIS 115 Cb 1.30 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.70 1wpk h HIS 115 CO 0.05 0.70 0.14 1.25 0.86 0.00 0.00 177.93 180.94 1wpk h LEU 116 N -0.37 1.07 0.25 2.43 5.85 -1.56 -0.16 115.31 122.82 1wpk h LEU 116 Ca 0.00 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1wpk h LEU 116 Cb 0.70 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1wpk h LEU 116 CO 0.02 1.04 -0.17 0.45 -0.34 0.00 0.00 178.44 179.45 1wpk h HIS 117 N 1.06 -0.43 -0.61 1.25 3.86 -1.31 0.14 115.15 119.11 1wpk h HIS 117 Ca 0.21 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.33 1wpk h HIS 117 Cb 0.40 0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 1wpk h HIS 117 CO 0.03 -0.26 0.02 0.00 0.86 0.00 0.00 177.93 178.59 1wpk h ARG 118 N -0.41 1.06 -0.47 2.45 3.08 -1.42 -0.69 114.38 117.98 1wpk h ARG 118 Ca -0.02 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 1wpk h ARG 118 Cb 0.35 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1wpk h ARG 118 CO 0.01 1.02 0.24 1.25 -1.07 0.00 0.00 179.97 181.42 1wpk h LEU 119 N 0.97 0.61 -0.20 3.04 5.85 -0.81 -0.07 115.31 124.71 1wpk h LEU 119 Ca 0.18 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1wpk h LEU 119 Cb 0.53 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1wpk h LEU 119 CO 0.03 0.56 -0.11 -0.26 -0.34 0.00 0.00 178.44 178.31 1wpk h PHE 120 N 0.62 0.49 -0.25 1.25 -1.00 -0.59 -2.48 116.94 114.98 1wpk h PHE 120 Ca 0.16 -0.13 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 1wpk h PHE 120 Cb 0.10 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 1wpk h PHE 120 CO -0.01 0.73 0.08 0.87 -1.61 0.00 0.00 178.31 178.37 1wpk h LYS 121 N 0.11 0.35 0.00 1.51 1.57 -1.01 0.13 116.57 119.23 1wpk h LYS 121 Ca 0.04 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1wpk h LYS 121 Cb 0.62 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1wpk h LYS 121 CO 0.03 0.32 -0.29 0.00 -0.57 0.00 0.00 179.45 178.94 1wpk h ALA 122 N 1.74 0.90 0.00 3.86 0.00 -0.89 -2.09 119.26 122.78 1wpk h ALA 122 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wpk h ALA 122 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wpk h ALA 122 CO -0.01 0.36 -0.15 2.41 0.00 0.00 0.00 179.25 181.87 1wpk n THR 123 N -3.30 0.34 -0.04 0.00 -1.04 -0.58 -4.78 114.28 104.87 1wpk n THR 123 Ca 0.01 0.43 -0.15 0.00 -2.04 0.00 0.00 64.05 62.30 1wpk n THR 123 Cb 0.54 -1.71 -0.14 0.00 -1.82 0.00 0.00 70.33 67.20 1wpk n THR 123 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1wpk n THR 124 N -2.85 1.61 -1.92 12.58 5.66 0.36 -5.02 114.28 124.71 1wpk n THR 124 Ca -0.02 -0.72 0.00 0.00 -3.05 0.00 0.00 64.05 60.26 1wpk n THR 124 Cb 0.08 -1.24 0.00 0.00 -1.55 0.00 0.00 70.33 67.62 1wpk n THR 124 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wpk n GLY 125 N 1.86 0.90 3.44 1.09 0.00 -0.75 -4.98 105.19 106.74 1wpk n GLY 125 Ca -0.30 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 1wpk n GLY 125 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wpk s MET 126 N -3.89 1.77 0.38 1.61 -1.94 -1.26 -4.93 119.30 111.03 1wpk s MET 126 Ca 0.00 -1.72 0.08 0.00 -1.71 0.00 0.00 55.69 52.34 1wpk s MET 126 Cb 0.00 0.41 -0.07 0.00 2.01 0.00 0.00 34.83 37.18 1wpk s MET 126 CO 0.00 -0.71 -0.00 0.95 -0.01 0.00 0.00 175.02 175.25 1wpk s THR 127 N -3.35 2.21 0.28 2.05 -4.23 -1.26 -4.28 115.64 107.07 1wpk s THR 127 Ca 0.32 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.83 1wpk s THR 127 Cb 0.01 -2.86 0.27 0.00 1.34 0.00 0.00 72.50 71.26 1wpk s THR 127 CO 0.19 -0.10 1.77 -0.65 -0.54 0.00 0.00 174.62 175.29 1wpk h PRO 128 N 1.82 0.68 -0.51 3.99 0.11 -2.01 0.37 132.00 136.44 1wpk h PRO 128 Ca -0.43 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 1wpk h PRO 128 Cb 1.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1wpk h PRO 128 CO 0.74 0.45 -0.07 0.87 -0.21 0.00 0.00 178.00 179.78 1wpk h LYS 129 N 0.70 0.95 -0.50 1.05 1.57 -1.99 -2.35 116.57 116.00 1wpk h LYS 129 Ca 0.52 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.89 1wpk h LYS 129 Cb 0.77 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1wpk h LYS 129 CO -0.38 1.00 0.04 0.00 -0.57 0.00 0.00 179.45 179.55 1wpk h ALA 130 N 0.92 0.66 -0.19 3.86 0.00 -1.57 -2.27 119.26 120.68 1wpk h ALA 130 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wpk h ALA 130 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1wpk h ALA 130 CO 0.04 0.44 0.12 -1.49 0.00 0.00 0.00 179.25 178.36 1wpk h TRP 131 N 0.72 0.24 -0.46 0.00 -0.00 -0.91 -1.70 115.95 113.84 1wpk h TRP 131 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.04 1wpk h TRP 131 Cb 0.46 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 29.51 1wpk h TRP 131 CO 0.03 0.17 0.29 0.37 -0.00 0.00 0.00 178.44 179.30 1wpk h GLN 132 N 0.24 0.61 -0.09 0.49 4.15 -1.35 -1.42 115.11 117.73 1wpk h GLN 132 Ca 0.07 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 1wpk h GLN 132 Cb -0.01 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1wpk h GLN 132 CO -0.01 0.42 -0.43 0.37 -1.93 0.00 0.00 178.83 177.25 1wpk h GLN 133 N 0.63 0.20 -0.36 1.69 5.75 -0.87 -1.45 115.11 120.70 1wpk h GLN 133 Ca 0.17 -0.10 -0.09 0.00 -0.15 0.00 0.00 58.65 58.48 1wpk h GLN 133 Cb -0.04 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 1wpk h GLN 133 CO -0.03 0.60 -0.12 0.00 -2.65 0.00 0.00 178.83 176.62 1wpk h ALA 134 N 1.39 0.50 -0.22 3.38 0.00 -0.37 0.69 119.26 124.63 1wpk h ALA 134 Ca 0.01 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1wpk h ALA 134 Cb 0.83 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1wpk h ALA 134 CO 0.06 0.38 -0.60 2.35 0.00 0.00 0.00 179.25 181.44 1wpk h TRP 135 N 0.50 0.93 -0.38 0.00 7.01 -1.37 -2.14 115.95 120.50 1wpk h TRP 135 Ca 0.09 -0.35 -0.16 0.00 2.11 0.00 0.00 58.89 60.58 1wpk h TRP 135 Cb 0.64 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 1wpk h TRP 135 CO 0.05 1.14 -0.37 0.00 -2.79 0.00 0.00 178.44 176.48 1wpk h ARG 136 N 0.55 0.92 -0.12 2.65 3.08 -1.22 -1.94 114.38 118.28 1wpk h ARG 136 Ca -0.00 -0.48 -0.09 0.00 0.07 0.00 0.00 59.98 59.47 1wpk h ARG 136 Cb 1.19 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1wpk h ARG 136 CO 0.12 1.14 -0.35 0.00 -1.07 0.00 0.00 179.97 179.81 1wpk h ALA 137 N 0.77 1.19 -0.02 0.04 0.00 -0.86 -2.60 119.26 117.78 1wpk h ALA 137 Ca 0.06 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1wpk h ALA 137 Cb 0.97 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1wpk h ALA 137 CO 0.09 0.54 -0.80 -0.09 0.00 0.00 0.00 179.25 179.00 1wpk h ARG 138 N 0.21 0.20 -0.06 0.00 1.12 -1.27 -2.10 114.38 112.47 1wpk h ARG 138 Ca 0.03 -0.19 -0.11 0.00 -1.11 0.00 0.00 59.98 58.59 1wpk h ARG 138 Cb 0.72 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.72 1wpk h ARG 138 CO 0.05 0.89 -0.48 0.00 -3.11 0.00 0.00 179.97 177.33 1wpk h ARG 139 N 0.12 0.16 0.14 0.20 2.47 -1.12 0.18 114.38 116.53 1wpk h ARG 139 Ca -0.03 -0.09 -0.20 0.00 -1.26 0.00 0.00 59.98 58.40 1wpk h ARG 139 Cb 1.39 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.74 1wpk h ARG 139 CO 0.12 0.61 -0.87 -0.07 0.56 0.00 0.00 179.97 180.32 1wpk h LEU 140 N 0.13 0.53 -0.42 3.04 -0.00 -1.43 -3.02 115.31 114.14 1wpk h LEU 140 Ca 0.01 -0.92 -0.17 0.00 -0.00 0.00 0.00 57.88 56.79 1wpk h LEU 140 Cb 0.90 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1wpk h LEU 140 CO 0.07 1.41 -0.57 0.03 -0.00 0.00 0.00 178.44 179.39 1wpk h ARG 141 N -0.26 0.67 -1.08 1.13 3.08 -1.37 -3.12 114.38 113.42 1wpk h ARG 141 Ca -0.15 -0.43 -0.58 0.00 0.07 0.00 0.00 59.98 58.89 1wpk h ARG 141 Cb 1.67 0.05 -0.26 0.00 0.08 0.00 0.00 29.97 31.51 1wpk h ARG 141 CO 0.16 1.05 0.74 -1.91 -1.07 0.00 0.00 179.97 178.95 1wpk n GLU 142 N -3.97 2.42 -2.53 0.04 2.13 0.63 -4.96 120.64 114.41 1wpk n GLU 142 Ca -0.04 -2.89 -0.43 0.00 0.66 0.00 0.00 57.16 54.47 1wpk n GLU 142 Cb 0.62 -2.13 -0.02 0.00 0.27 0.00 0.00 31.44 30.18 1wpk n GLU 142 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1wpk s SER 143 N -1.34 6.95 -0.21 4.31 0.01 -1.14 -4.88 113.70 117.40 1wpk s SER 143 Ca 0.56 1.43 -0.10 0.00 1.31 0.00 0.00 55.95 59.15 1wpk s SER 143 Cb 0.45 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 64.09 1wpk s SER 143 CO 0.02 -0.80 0.15 -0.76 0.41 0.00 0.00 173.24 172.25 1wpk s LEU 144 N 3.56 4.19 -0.03 2.44 1.02 -1.26 -5.09 118.68 123.51 1wpk s LEU 144 Ca 0.50 0.23 -0.01 0.00 0.02 0.00 0.00 54.13 54.86 1wpk s LEU 144 Cb -0.17 -2.11 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 1wpk s LEU 144 CO 0.13 0.15 0.07 0.00 0.02 0.00 0.00 176.35 176.72 1wpk s ALA 145 N 0.51 3.55 0.00 4.21 0.00 -1.26 -5.25 121.76 123.52 1wpk s ALA 145 Ca 0.08 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1wpk s ALA 145 Cb -0.12 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1wpk s ALA 145 CO -0.00 0.66 0.00 1.17 0.00 0.00 0.00 175.76 177.59