#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 -4.37 -3.18 0.03 3.00 -1.26 -4.95 118.16 107.43 1wpk n LYS 2 Ca 0.00 3.32 -0.39 0.00 -0.00 0.00 0.00 58.31 61.24 1wpk n LYS 2 Cb 0.00 -4.94 -0.05 0.00 0.00 0.00 0.00 35.03 30.03 1wpk n LYS 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1wpk s LYS 3 N -0.75 4.38 -0.25 1.64 1.02 -1.26 -5.02 119.74 119.50 1wpk s LYS 3 Ca -0.26 0.68 -0.29 0.00 0.02 0.00 0.00 55.97 56.12 1wpk s LYS 3 Cb 0.02 -3.43 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1wpk s LYS 3 CO 0.77 0.15 1.48 0.00 -0.92 0.00 0.00 175.35 176.83 1wpk s ALA 4 N 0.58 3.32 -0.06 5.17 0.00 -1.26 -4.84 121.76 124.67 1wpk s ALA 4 Ca 0.32 0.32 0.13 0.00 0.00 0.00 0.00 51.96 52.72 1wpk s ALA 4 Cb -0.17 -3.82 0.24 0.00 0.00 0.00 0.00 23.12 19.38 1wpk s ALA 4 CO 0.15 -1.87 1.11 0.25 0.00 0.00 0.00 175.76 175.40 1wpk n THR 5 N 6.31 0.68 -1.22 0.00 -2.24 -1.26 -4.86 114.28 111.69 1wpk n THR 5 Ca 0.17 -1.20 0.15 0.00 -2.27 0.00 0.00 64.05 60.90 1wpk n THR 5 Cb 0.46 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 69.04 1wpk n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wpk h LEU 7 N -1.24 0.00 -7.11 0.00 4.07 -2.00 -3.43 115.31 105.61 1wpk h LEU 7 Ca -0.04 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.89 1wpk h LEU 7 Cb 1.29 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.90 1wpk h LEU 7 CO 0.03 0.00 0.13 0.28 -1.08 0.00 0.00 178.44 177.80 1wpk s THR 8 N -4.58 0.02 0.27 0.22 -1.32 -1.24 -5.04 115.64 103.96 1wpk s THR 8 Ca -0.04 -0.15 0.12 0.00 -1.21 0.00 0.00 61.69 60.40 1wpk s THR 8 Cb 0.15 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 1wpk s THR 8 CO 0.53 -0.08 1.65 -0.78 -2.21 0.00 0.00 174.62 173.72 1wpk h ASP 9 N 2.13 0.00 -0.23 8.08 3.58 -1.83 -3.15 116.42 125.00 1wpk h ASP 9 Ca -0.34 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 56.92 1wpk h ASP 9 Cb 1.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1wpk h ASP 9 CO 0.40 0.56 -0.58 -0.78 -2.88 0.00 0.00 179.24 175.97 1wpk h ASP 10 N 0.00 0.93 -0.71 2.28 3.58 -1.96 -3.16 116.42 117.39 1wpk h ASP 10 Ca -0.01 -0.52 0.03 0.00 0.42 0.00 0.00 57.03 56.95 1wpk h ASP 10 Cb 1.03 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.77 1wpk h ASP 10 CO 0.07 1.31 0.47 -0.61 -2.88 0.00 0.00 179.24 177.60 1wpk h GLN 11 N 0.63 0.86 0.56 0.28 5.75 -1.93 -2.66 115.11 118.60 1wpk h GLN 11 Ca 0.00 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1wpk h GLN 11 Cb 1.19 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 29.55 1wpk h GLN 11 CO 0.13 0.57 -0.31 0.00 -2.65 0.00 0.00 178.83 176.56 1wpk h ARG 12 N 0.88 -0.78 -0.10 1.69 3.08 -1.56 -1.73 114.38 115.85 1wpk h ARG 12 Ca 0.27 0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.41 1wpk h ARG 12 Cb 0.01 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1wpk h ARG 12 CO -0.07 -0.52 0.23 2.35 -1.07 0.00 0.00 179.97 180.88 1wpk h TRP 13 N -0.81 0.00 0.28 3.04 -0.00 -1.54 -2.21 115.95 114.70 1wpk h TRP 13 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.81 1wpk h TRP 13 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.81 1wpk h TRP 13 CO -0.07 0.00 -0.13 0.37 -0.00 0.00 0.00 178.44 178.61 1wpk h GLN 14 N 0.00 -0.36 -0.41 2.65 5.75 -0.98 -2.75 115.11 119.00 1wpk h GLN 14 Ca 0.05 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.64 1wpk h GLN 14 Cb 0.50 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 1wpk h GLN 14 CO -0.00 -0.01 0.28 0.77 -2.65 0.00 0.00 178.83 177.22 1wpk h SER 15 N -0.82 0.22 -0.04 -0.69 0.02 -1.13 0.13 113.55 111.26 1wpk h SER 15 Ca -0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1wpk h SER 15 Cb 0.51 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1wpk h SER 15 CO 0.06 0.14 0.01 0.58 -1.14 0.00 0.00 176.83 176.49 1wpk h VAL 16 N 0.25 1.19 -0.05 2.27 2.07 -1.48 -1.98 116.25 118.52 1wpk h VAL 16 Ca 0.19 -0.56 -0.15 0.00 0.82 0.00 0.00 66.70 67.00 1wpk h VAL 16 Cb 0.41 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1wpk h VAL 16 CO -0.04 0.15 -0.62 -0.07 0.02 0.00 0.00 177.57 177.02 1wpk h LEU 17 N -0.16 0.22 -1.68 2.57 -0.00 -1.10 -2.94 115.31 112.22 1wpk h LEU 17 Ca 0.01 -0.13 -0.03 0.00 -0.00 0.00 0.00 57.88 57.73 1wpk h LEU 17 Cb 0.24 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1wpk h LEU 17 CO 0.00 0.79 -0.12 0.00 -0.00 0.00 0.00 178.44 179.10 1wpk h ALA 18 N 1.22 1.13 -1.99 1.53 0.00 -0.66 -3.46 119.26 117.03 1wpk h ALA 18 Ca -0.01 -0.11 -0.35 0.00 0.00 0.00 0.00 54.91 54.44 1wpk h ALA 18 Cb 1.12 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1wpk h ALA 18 CO 0.09 0.15 -0.41 -2.13 0.00 0.00 0.00 179.25 176.96 1wpk n ARG 19 N -3.42 -1.33 -1.49 0.00 0.00 -0.76 -4.86 116.66 104.80 1wpk n ARG 19 Ca -0.01 0.92 -0.45 0.00 -0.00 0.00 0.00 57.85 58.30 1wpk n ARG 19 Cb 0.30 -5.31 -0.07 0.00 0.00 0.00 0.00 32.46 27.37 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 -1.16 2.07 0.13 6.15 2.03 -1.21 -4.79 116.55 119.78 1wpk n ASP 20 Ca -0.20 0.16 0.12 0.00 0.52 0.00 0.00 54.79 55.39 1wpk n ASP 20 Cb 0.63 -1.32 0.50 0.00 -0.72 0.00 0.00 41.12 40.20 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 8.48 0.19 -0.99 -0.67 -0.04 -1.26 -2.46 135.00 138.25 1wpk n PRO 21 Ca 0.42 0.43 -0.17 0.00 -0.04 0.00 0.00 63.50 64.14 1wpk n PRO 21 Cb 0.30 -1.88 0.17 0.00 -0.04 0.00 0.00 33.50 32.05 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 -2.24 3.74 -1.91 3.54 4.13 -1.26 -4.41 115.26 116.84 1wpk n ASN 22 Ca 0.02 -3.28 -0.15 0.00 1.68 0.00 0.00 54.58 52.85 1wpk n ASN 22 Cb 0.22 -0.77 0.17 0.00 -1.54 0.00 0.00 39.78 37.86 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 -0.73 4.74 -1.55 5.41 0.00 -1.03 -4.91 120.51 122.44 1wpk n ALA 23 Ca 0.47 -2.16 -0.16 0.00 0.00 0.00 0.00 53.44 51.58 1wpk n ALA 23 Cb 1.43 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.60 1.27 0.00 0.00 5.75 -1.26 0.11 116.55 121.81 1wpk n ASP 24 Ca 0.43 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.95 1wpk n ASP 24 Cb 1.36 -1.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 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 6.54 1.23 0.00 6.12 0.00 -1.26 -5.04 105.19 112.79 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 -2.21 0.00 0.00 0.00 173.32 171.11 1wpk n GLU 26 N -0.05 0.00 -3.63 1.61 4.07 0.29 -5.00 120.64 117.92 1wpk n GLU 26 Ca 0.00 0.01 -0.08 0.00 -0.06 0.00 0.00 57.16 57.03 1wpk n GLU 26 Cb 0.00 -0.89 -0.07 0.00 -0.06 0.00 0.00 31.44 30.42 1wpk n GLU 26 CO 0.00 0.00 0.00 -0.59 -0.06 0.00 0.00 177.13 176.48 1wpk s PHE 27 N -0.79 -0.35 -0.08 4.31 -0.12 -1.19 -4.87 117.98 114.90 1wpk s PHE 27 Ca 0.00 0.80 -0.19 0.00 -0.05 0.00 0.00 56.93 57.49 1wpk s PHE 27 Cb 0.00 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1wpk s PHE 27 CO 0.00 -0.19 0.52 0.08 -0.05 0.00 0.00 175.22 175.58 1wpk s VAL 28 N -0.07 5.11 -0.39 -2.49 1.01 0.30 -3.78 120.40 120.10 1wpk s VAL 28 Ca 0.04 1.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.90 1wpk s VAL 28 Cb -0.04 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1wpk s VAL 28 CO -0.07 0.35 0.44 -0.36 0.00 0.00 0.00 175.10 175.46 1wpk s PHE 29 N 0.38 3.18 -0.15 5.22 0.08 -1.26 0.21 117.98 125.64 1wpk s PHE 29 Ca 0.28 -0.16 -0.22 0.00 0.12 0.00 0.00 56.93 56.96 1wpk s PHE 29 Cb -0.16 -2.86 -0.03 0.00 -0.57 0.00 0.00 43.02 39.40 1wpk s PHE 29 CO 0.13 -0.61 0.65 0.00 -0.10 0.00 0.00 175.22 175.29 1wpk s ALA 30 N 2.19 3.48 -0.43 5.36 0.00 0.24 -4.02 121.76 128.57 1wpk s ALA 30 Ca 0.14 -0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.80 1wpk s ALA 30 Cb -0.16 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.03 1wpk s ALA 30 CO 0.13 -0.38 0.43 0.08 0.00 0.00 0.00 175.76 176.03 1wpk s VAL 31 N 1.49 5.10 0.17 0.00 1.01 0.25 -1.00 120.40 127.42 1wpk s VAL 31 Ca 0.32 -0.46 0.27 0.00 0.00 0.00 0.00 61.98 62.11 1wpk s VAL 31 Cb -0.16 -4.05 0.28 0.00 0.00 0.00 0.00 36.38 32.45 1wpk s VAL 31 CO 0.13 -0.45 1.90 -0.09 0.00 0.00 0.00 175.10 176.58 1wpk h ARG 32 N 8.74 0.00 -1.56 2.72 1.12 -1.84 0.54 114.38 124.09 1wpk h ARG 32 Ca -0.27 0.00 -0.44 0.00 -1.11 0.00 0.00 59.98 58.16 1wpk h ARG 32 Cb 1.11 0.00 -0.18 0.00 -0.01 0.00 0.00 29.97 30.89 1wpk h ARG 32 CO 0.81 0.15 0.51 0.25 -3.11 0.00 0.00 179.97 178.59 1wpk n THR 33 N -3.34 3.08 0.00 0.20 -2.24 -1.26 -4.14 114.28 106.58 1wpk n THR 33 Ca -0.00 -2.29 0.00 0.00 -2.27 0.00 0.00 64.05 59.49 1wpk n THR 33 Cb 0.37 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.24 1wpk n THR 33 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wpk n THR 34 N 0.22 0.00 -1.32 4.28 -2.24 -1.16 -5.01 114.28 109.05 1wpk n THR 34 Ca 0.41 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 1wpk n THR 34 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.00 1.00 3.70 3.38 0.00 0.19 -4.94 105.19 108.52 1wpk n GLY 35 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.25 1.09 0.00 -0.61 -4.36 -1.10 0.75 121.20 114.71 1wpk s ILE 36 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1wpk s ILE 36 Cb 0.00 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.45 1wpk s ILE 36 CO 0.00 0.00 0.00 2.22 0.24 0.00 0.00 174.94 177.40 1wpk n PHE 37 N -1.16 -0.51 -2.60 1.37 1.16 0.39 0.86 117.46 116.97 1wpk n PHE 37 Ca -0.15 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.21 1wpk n PHE 37 Cb 0.67 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.59 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 -1.97 2.37 0.29 3.97 1.81 -1.18 0.96 118.95 125.19 1wpk s ARG 39 Ca 0.00 -0.81 0.03 0.00 -1.72 0.00 0.00 55.73 53.23 1wpk s ARG 39 Cb 0.00 -2.44 0.73 0.00 -0.45 0.00 0.00 34.95 32.79 1wpk s ARG 39 CO 0.00 -0.88 1.66 -1.35 -0.68 0.00 0.00 175.30 174.05 1wpk h PRO 40 N -0.08 0.26 0.00 3.54 0.11 -1.79 -3.39 132.00 130.64 1wpk h PRO 40 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wpk h PRO 40 Cb 1.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1wpk h PRO 40 CO 0.51 0.17 0.00 0.43 -0.21 0.00 0.00 178.00 178.90 1wpk n SER 41 N -5.17 0.00 -0.97 -2.05 7.64 -1.26 -3.14 113.62 108.68 1wpk n SER 41 Ca 0.22 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.17 1wpk n SER 41 Cb 0.69 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.85 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 -3.00 0.00 -2.09 0.00 -4.01 -1.26 -4.69 116.66 101.60 1wpk n ARG 43 Ca -0.04 -0.75 -0.42 0.00 -1.04 0.00 0.00 57.85 55.60 1wpk n ARG 43 Cb 0.39 0.41 -0.03 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 0.00 3.65 -0.58 2.89 0.00 -1.26 -4.87 121.76 121.58 1wpk s ALA 44 Ca 0.00 1.21 -0.26 0.00 0.00 0.00 0.00 51.96 52.90 1wpk s ALA 44 Cb 0.00 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 1wpk s ALA 44 CO 0.00 -0.67 2.45 -2.13 0.00 0.00 0.00 175.76 175.41 1wpk n ARG 45 N 3.83 0.86 -3.63 0.00 0.63 -1.26 -4.85 116.66 112.24 1wpk n ARG 45 Ca 0.12 -0.08 -0.13 0.00 -0.92 0.00 0.00 57.85 56.83 1wpk n ARG 45 Cb 0.41 -3.23 -0.07 0.00 0.45 0.00 0.00 32.46 30.02 1wpk n ARG 45 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1wpk s HIS 46 N 12.00 -0.71 0.03 -0.14 2.46 -1.26 -5.09 115.29 122.57 1wpk s HIS 46 Ca 1.02 1.73 0.00 0.00 0.47 0.00 0.00 55.06 58.29 1wpk s HIS 46 Cb -0.30 0.29 0.00 0.00 -0.13 0.00 0.00 32.58 32.44 1wpk s HIS 46 CO 0.27 -0.34 0.00 0.00 -2.47 0.00 0.00 174.74 172.20 1wpk n ALA 47 N 2.56 -2.03 -1.02 1.58 0.00 -1.26 -4.98 120.51 115.37 1wpk n ALA 47 Ca -0.14 0.49 -0.04 0.00 0.00 0.00 0.00 53.44 53.75 1wpk n ALA 47 Cb 0.55 -1.46 0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 1.82 0.00 -2.94 0.00 4.32 -1.26 -4.69 117.00 114.25 1wpk n LEU 48 Ca 0.00 -0.23 -0.29 0.00 -0.02 0.00 0.00 56.01 55.48 1wpk n LEU 48 Cb 0.00 -0.19 -0.06 0.00 -1.62 0.00 0.00 43.42 41.54 1wpk n LEU 48 CO 0.00 -1.22 2.74 -1.14 -1.22 0.00 0.00 177.39 176.55 1wpk n ARG 49 N -2.14 2.96 0.00 3.23 0.63 -1.26 -3.04 116.66 117.04 1wpk n ARG 49 Ca 0.03 -1.74 0.00 0.00 -0.92 0.00 0.00 57.85 55.22 1wpk n ARG 49 Cb 0.11 -2.51 0.00 0.00 0.45 0.00 0.00 32.46 30.51 1wpk n ARG 49 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1wpk n GLU 50 N 3.38 0.00 -1.08 -0.14 0.28 -1.26 -4.95 120.64 116.86 1wpk n GLU 50 Ca 0.63 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 57.43 1wpk n GLU 50 Cb 0.39 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.43 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 -0.59 3.73 -4.02 -1.84 3.02 -1.17 -4.89 115.26 109.49 1wpk n ASN 51 Ca 0.00 -3.40 -0.23 0.00 -0.03 0.00 0.00 54.58 50.92 1wpk n ASN 51 Cb 0.00 -0.80 -0.16 0.00 -0.61 0.00 0.00 39.78 38.22 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 -2.91 0.99 -0.15 2.41 0.11 -1.24 -3.23 120.40 116.38 1wpk s VAL 52 Ca 0.50 -0.44 -0.04 0.00 -2.93 0.00 0.00 61.98 59.07 1wpk s VAL 52 Cb 0.42 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 1wpk s VAL 52 CO 0.10 0.31 -0.01 -0.55 -3.33 0.00 0.00 175.10 171.62 1wpk s SER 53 N 0.35 5.05 0.37 3.54 0.15 -0.17 -4.94 113.70 118.06 1wpk s SER 53 Ca -0.07 -0.05 -0.18 0.00 0.70 0.00 0.00 55.95 56.35 1wpk s SER 53 Cb -0.12 -1.79 -0.10 0.00 -1.71 0.00 0.00 66.02 62.30 1wpk s SER 53 CO 0.02 0.19 0.84 -0.36 1.20 0.00 0.00 173.24 175.13 1wpk s PHE 54 N 0.23 3.35 0.08 3.44 0.40 -1.26 0.80 117.98 125.02 1wpk s PHE 54 Ca -0.01 1.41 -0.09 0.00 -0.60 0.00 0.00 56.93 57.65 1wpk s PHE 54 Cb -0.13 -2.69 -0.00 0.00 0.51 0.00 0.00 43.02 40.71 1wpk s PHE 54 CO 0.02 0.00 0.19 0.71 0.70 0.00 0.00 175.22 176.84 1wpk s TYR 55 N -2.06 0.14 -0.16 0.36 2.02 0.13 -4.87 117.35 112.91 1wpk s TYR 55 Ca 0.58 -0.54 -0.12 0.00 -0.37 0.00 0.00 57.07 56.62 1wpk s TYR 55 Cb -0.10 -0.06 -0.23 0.00 -0.40 0.00 0.00 41.96 41.17 1wpk s TYR 55 CO 0.15 -0.52 0.26 0.00 -1.57 0.00 0.00 175.55 173.87 1wpk n ALA 56 N 0.06 0.89 -2.23 3.71 0.00 -1.26 0.11 120.51 121.79 1wpk n ALA 56 Ca -0.16 -0.60 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 1wpk n ALA 56 Cb 0.62 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 1wpk n ALA 56 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wpk s ASN 57 N -6.98 0.24 0.16 0.00 3.84 -1.26 -4.31 114.94 106.63 1wpk s ASN 57 Ca -0.26 -1.40 -0.08 0.00 0.21 0.00 0.00 52.86 51.32 1wpk s ASN 57 Cb 0.07 0.40 0.00 0.00 -0.55 0.00 0.00 41.25 41.17 1wpk s ASN 57 CO 0.69 -0.86 1.47 0.00 -2.79 0.00 0.00 177.10 175.61 1wpk h ALA 58 N 2.58 0.60 -0.06 1.71 0.00 -1.98 -2.82 119.26 119.28 1wpk h ALA 58 Ca -0.35 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1wpk h ALA 58 Cb 1.25 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1wpk h ALA 58 CO 0.52 0.68 0.04 0.66 0.00 0.00 0.00 179.25 181.14 1wpk h SER 59 N 0.64 0.05 0.05 0.00 4.64 -1.97 0.94 113.55 117.90 1wpk h SER 59 Ca 0.03 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1wpk h SER 59 Cb 1.05 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1wpk h SER 59 CO 0.10 0.04 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.75 1wpk h GLU 60 N 0.06 -0.07 -0.06 4.77 4.39 -1.94 -2.24 114.58 119.49 1wpk h GLU 60 Ca 0.02 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 1wpk h GLU 60 Cb 0.02 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1wpk h GLU 60 CO -0.00 0.56 -0.58 0.00 -1.16 0.00 0.00 179.01 177.82 1wpk h ALA 61 N -0.06 0.91 -0.20 3.43 0.00 -1.26 -2.97 119.26 119.12 1wpk h ALA 61 Ca -0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1wpk h ALA 61 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1wpk h ALA 61 CO 0.01 0.72 -0.09 1.25 0.00 0.00 0.00 179.25 181.13 1wpk h LEU 62 N 0.14 0.43 -1.36 0.00 6.46 0.81 -3.00 115.31 118.79 1wpk h LEU 62 Ca -0.00 -0.41 0.03 0.00 -0.12 0.00 0.00 57.88 57.38 1wpk h LEU 62 Cb 1.06 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.84 1wpk h LEU 62 CO 0.09 0.74 0.45 0.00 -0.62 0.00 0.00 178.44 179.10 1wpk h ALA 63 N 0.70 1.59 0.00 1.25 0.00 -1.39 -0.74 119.26 120.68 1wpk h ALA 63 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1wpk h ALA 63 Cb 0.58 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1wpk h ALA 63 CO 0.03 0.34 -0.09 0.00 0.00 0.00 0.00 179.25 179.53 1wpk h ALA 64 N 1.60 1.52 0.00 0.00 0.00 -1.42 -3.45 119.26 117.51 1wpk h ALA 64 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wpk h ALA 64 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wpk h ALA 64 CO -0.07 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1wpk n GLY 65 N -1.04 0.86 2.93 0.00 0.00 -0.29 -5.13 105.19 102.53 1wpk n GLY 65 Ca -0.02 -0.16 -0.14 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 -0.07 0.30 0.44 1.61 0.40 -1.14 -4.89 117.98 114.63 1wpk s PHE 66 Ca 0.00 -0.08 -0.21 0.00 -0.60 0.00 0.00 56.93 56.04 1wpk s PHE 66 Cb 0.00 -0.19 -0.11 0.00 0.51 0.00 0.00 43.02 43.23 1wpk s PHE 66 CO 0.00 -0.01 0.96 1.03 0.70 0.00 0.00 175.22 177.90 1wpk s ARG 67 N -0.17 4.16 0.26 0.44 0.52 0.23 -4.22 118.95 120.17 1wpk s ARG 67 Ca 0.00 1.14 -0.19 0.00 -0.52 0.00 0.00 55.73 56.16 1wpk s ARG 67 Cb -0.02 -2.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.20 1wpk s ARG 67 CO -0.00 -0.09 0.75 -1.25 0.02 0.00 0.00 175.30 174.72 1wpk s PRO 68 N -3.23 4.21 -0.28 3.54 0.04 -1.26 0.15 135.00 138.16 1wpk s PRO 68 Ca 0.62 0.86 0.02 0.00 0.04 0.00 0.00 61.00 62.54 1wpk s PRO 68 Cb -0.10 -2.75 0.07 0.00 0.04 0.00 0.00 34.50 31.76 1wpk s PRO 68 CO 0.15 0.32 -0.06 0.00 0.04 0.00 0.00 177.00 177.45 1wpk n LYS 70 N 4.45 2.10 -1.12 0.00 4.81 -1.26 -3.09 118.16 124.05 1wpk n LYS 70 Ca -0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.29 1wpk n LYS 70 Cb 0.42 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.46 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 -1.27 -1.27 1.64 1.74 -1.26 -4.81 116.66 111.43 1wpk n ARG 71 Ca 0.00 0.53 0.02 0.00 -0.77 0.00 0.00 57.85 57.63 1wpk n ARG 71 Cb 0.00 -4.58 0.10 0.00 -1.02 0.00 0.00 32.46 26.97 1wpk n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wpk n GLN 73 N -0.39 -4.17 -0.03 0.00 6.02 -1.26 -3.34 117.38 114.20 1wpk n GLN 73 Ca 0.15 3.13 -0.16 0.00 -0.01 0.00 0.00 57.00 60.11 1wpk n GLN 73 Cb 0.91 -4.28 -0.09 0.00 1.02 0.00 0.00 30.24 27.80 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 4.30 0.46 0.00 -1.09 0.13 -1.95 -3.39 132.00 130.46 1wpk h PRO 74 Ca -0.35 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1wpk h PRO 74 Cb 0.78 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1wpk h PRO 74 CO 0.01 1.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.94 1wpk n GLU 75 N -4.29 0.00 0.00 0.86 0.28 -1.26 -4.50 120.64 111.73 1wpk n GLU 75 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1wpk n GLU 75 Cb 0.57 -0.06 0.00 0.00 1.43 0.00 0.00 31.44 33.38 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 -2.07 0.00 0.00 3.44 4.76 -1.26 -4.63 118.16 118.41 1wpk n LYS 76 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1wpk n LYS 76 Cb 0.00 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.17 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 -2.47 0.00 -4.08 7.82 0.00 -1.26 -4.44 120.51 116.07 1wpk n ALA 77 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1wpk n ALA 77 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1wpk n ALA 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wpk s ASN 78 N -4.00 3.08 -0.65 0.00 4.22 -1.26 -5.07 114.94 111.26 1wpk s ASN 78 Ca 0.00 -0.65 0.00 0.00 -2.14 0.00 0.00 52.86 50.07 1wpk s ASN 78 Cb 0.00 -1.39 0.16 0.00 1.28 0.00 0.00 41.25 41.30 1wpk s ASN 78 CO 0.00 -0.03 0.45 0.00 -2.04 0.00 0.00 177.10 175.48 1wpk s ALA 79 N 1.34 3.64 0.03 3.54 0.00 -1.26 -4.94 121.76 124.11 1wpk s ALA 79 Ca 0.04 -3.43 0.00 0.00 0.00 0.00 0.00 51.96 48.57 1wpk s ALA 79 Cb -0.13 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.49 1wpk s ALA 79 CO -0.12 -2.09 0.00 0.94 0.00 0.00 0.00 175.76 174.49 1wpk n GLN 80 N 3.01 -4.95 -3.78 0.00 -0.06 -1.26 -5.07 117.38 105.28 1wpk n GLN 80 Ca 0.11 3.61 -0.13 0.00 -2.00 0.00 0.00 57.00 58.59 1wpk n GLN 80 Cb 0.36 -4.49 -0.12 0.00 -4.06 0.00 0.00 30.24 21.93 1wpk n GLN 80 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1wpk s GLN 81 N -0.71 0.24 -0.07 3.69 -2.07 -1.26 -5.15 119.66 114.33 1wpk s GLN 81 Ca 0.00 0.37 0.04 0.00 -1.82 0.00 0.00 55.36 53.95 1wpk s GLN 81 Cb 0.00 0.05 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 1wpk s GLN 81 CO 0.00 -0.07 -0.18 -1.01 -1.32 0.00 0.00 175.29 172.71 1wpk s HIS 82 N 0.45 1.89 0.21 9.60 3.76 -1.26 -5.03 115.29 124.91 1wpk s HIS 82 Ca -0.03 -0.67 -0.10 0.00 -0.15 0.00 0.00 55.06 54.11 1wpk s HIS 82 Cb -0.04 -1.30 0.19 0.00 1.11 0.00 0.00 32.58 32.54 1wpk s HIS 82 CO -0.02 -0.28 1.87 0.07 -0.85 0.00 0.00 174.74 175.52 1wpk h ARG 83 N 6.64 0.94 -0.00 1.40 0.11 -2.01 -0.75 114.38 120.71 1wpk h ARG 83 Ca -0.28 -0.06 -0.12 0.00 0.10 0.00 0.00 59.98 59.62 1wpk h ARG 83 Cb 1.20 -0.21 -0.02 0.00 1.11 0.00 0.00 29.97 32.05 1wpk h ARG 83 CO 0.47 0.62 -0.56 1.25 0.10 0.00 0.00 179.97 181.85 1wpk h LEU 84 N 0.96 0.01 -0.66 0.08 6.46 -1.95 -2.84 115.31 117.36 1wpk h LEU 84 Ca 0.29 -0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.90 1wpk h LEU 84 Cb -0.03 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 1wpk h LEU 84 CO -0.09 0.57 -0.62 0.44 -0.62 0.00 0.00 178.44 178.12 1wpk h ASP 85 N 0.01 0.23 0.30 1.25 3.32 -1.77 -2.62 116.42 117.14 1wpk h ASP 85 Ca -0.01 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1wpk h ASP 85 Cb 1.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1wpk h ASP 85 CO 0.07 0.79 -0.14 0.50 -1.72 0.00 0.00 179.24 178.73 1wpk h LYS 86 N 0.15 -0.39 -0.89 3.56 1.63 -1.02 -2.64 116.57 116.98 1wpk h LYS 86 Ca -0.01 0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.92 1wpk h LYS 86 Cb 1.12 0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 32.77 1wpk h LYS 86 CO 0.09 -0.06 0.57 -0.84 -3.45 0.00 0.00 179.45 175.77 1wpk h ILE 87 N -0.91 0.96 -0.74 2.00 -0.00 -1.58 0.76 117.51 117.99 1wpk h ILE 87 Ca -0.04 -0.30 -0.02 0.00 -0.00 0.00 0.00 64.86 64.50 1wpk h ILE 87 Cb 0.51 0.01 -0.03 0.00 -0.00 0.00 0.00 36.82 37.31 1wpk h ILE 87 CO 0.07 0.16 0.38 0.74 -0.00 0.00 0.00 178.15 179.50 1wpk h THR 88 N 0.87 1.23 -0.18 0.16 2.02 -1.50 0.86 112.91 116.37 1wpk h THR 88 Ca 0.41 -0.60 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 1wpk h THR 88 Cb 0.42 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1wpk h THR 88 CO -0.18 0.26 -0.45 -0.74 0.37 0.00 0.00 175.52 174.78 1wpk h HIS 89 N 1.02 0.55 -0.29 3.16 2.76 -0.78 -3.03 115.15 118.55 1wpk h HIS 89 Ca 0.26 -0.17 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 1wpk h HIS 89 Cb 0.07 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1wpk h HIS 89 CO 0.00 0.83 -0.11 0.00 -1.30 0.00 0.00 177.93 177.36 1wpk h ALA 90 N 1.14 0.40 -0.80 5.26 0.00 -0.32 -0.83 119.26 124.11 1wpk h ALA 90 Ca 0.02 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.71 1wpk h ALA 90 Cb 0.94 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 1wpk h ALA 90 CO 0.08 0.26 0.47 0.00 0.00 0.00 0.00 179.25 180.06 1wpk h ARG 92 N 0.81 0.16 0.00 0.00 1.12 -1.47 -3.06 114.38 111.94 1wpk h ARG 92 Ca 0.37 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 59.08 1wpk h ARG 92 Cb 0.28 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.29 1wpk h ARG 92 CO -0.22 0.89 0.00 1.25 -3.11 0.00 0.00 179.97 178.78 1wpk h LEU 93 N 0.09 0.00 -3.54 3.80 5.85 -0.10 -2.56 115.31 118.84 1wpk h LEU 93 Ca -0.03 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.32 1wpk h LEU 93 Cb 1.42 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 42.23 1wpk h LEU 93 CO 0.12 0.00 0.47 -0.11 -0.34 0.00 0.00 178.44 178.59 1wpk n LEU 94 N -2.61 5.88 -3.26 2.25 0.00 -0.72 -4.60 117.00 113.94 1wpk n LEU 94 Ca 0.01 -3.11 -0.40 0.00 0.00 0.00 0.00 56.01 52.50 1wpk n LEU 94 Cb 0.21 -0.76 0.03 0.00 0.00 0.00 0.00 43.42 42.90 1wpk n LEU 94 CO 0.21 0.90 1.50 -0.62 0.00 0.00 0.00 177.39 179.38 1wpk n GLU 95 N -0.69 4.05 -0.02 1.96 1.02 -0.97 -4.39 120.64 121.61 1wpk n GLU 95 Ca 0.45 -4.07 -0.02 0.00 -0.02 0.00 0.00 57.16 53.50 1wpk n GLU 95 Cb 1.40 -2.37 -0.04 0.00 -0.02 0.00 0.00 31.44 30.41 1wpk n GLU 95 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1wpk n GLN 96 N -0.30 3.15 -2.51 3.49 7.27 -1.26 -5.03 117.38 122.19 1wpk n GLN 96 Ca 0.51 -0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.43 1wpk n GLN 96 Cb 0.25 -1.13 0.01 0.00 2.41 0.00 0.00 30.24 31.77 1wpk n GLN 96 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1wpk n GLU 97 N -2.18 -2.17 -4.34 3.69 2.13 -1.26 -5.02 120.64 111.49 1wpk n GLU 97 Ca -0.08 0.62 -0.17 0.00 0.66 0.00 0.00 57.16 58.18 1wpk n GLU 97 Cb 0.66 -4.84 -0.10 0.00 0.27 0.00 0.00 31.44 27.43 1wpk n GLU 97 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1wpk s THR 98 N -2.82 0.94 -0.52 6.31 -4.23 -1.26 -5.09 115.64 108.97 1wpk s THR 98 Ca 0.10 -2.02 -0.27 0.00 -1.18 0.00 0.00 61.69 58.33 1wpk s THR 98 Cb -0.04 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1wpk s THR 98 CO 0.13 -0.23 1.98 -2.16 -0.54 0.00 0.00 174.62 173.79 1wpk s PRO 99 N -3.90 2.65 0.09 3.99 0.04 -1.26 -4.97 135.00 131.64 1wpk s PRO 99 Ca 0.31 0.97 0.08 0.00 0.04 0.00 0.00 61.00 62.40 1wpk s PRO 99 Cb 0.06 -4.40 -0.04 0.00 0.04 0.00 0.00 34.50 30.17 1wpk s PRO 99 CO 0.10 -2.68 -0.17 0.08 0.04 0.00 0.00 177.00 174.37 1wpk s VAL 100 N 9.36 2.93 0.56 -0.36 1.01 -1.26 -5.13 120.40 127.52 1wpk s VAL 100 Ca 0.77 -1.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1wpk s VAL 100 Cb -0.16 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1wpk s VAL 100 CO 0.25 0.16 0.97 0.42 0.00 0.00 0.00 175.10 176.90 1wpk s THR 101 N -1.10 4.68 -0.00 3.92 -4.23 -1.26 -5.00 115.64 112.64 1wpk s THR 101 Ca 0.18 0.91 -0.23 0.00 -1.18 0.00 0.00 61.69 61.36 1wpk s THR 101 Cb -0.11 -3.81 -0.19 0.00 1.34 0.00 0.00 72.50 69.74 1wpk s THR 101 CO 0.10 -0.93 1.23 0.25 -0.54 0.00 0.00 174.62 174.72 1wpk h LEU 102 N 0.24 0.24 -2.14 4.79 6.46 -2.02 -3.12 115.31 119.75 1wpk h LEU 102 Ca -0.45 -0.57 0.05 0.00 -0.12 0.00 0.00 57.88 56.79 1wpk h LEU 102 Cb 1.19 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.04 1wpk h LEU 102 CO 0.62 0.76 0.15 1.05 -0.62 0.00 0.00 178.44 180.40 1wpk h GLU 103 N -0.28 0.00 -0.43 1.25 4.11 -1.98 -1.77 114.58 115.48 1wpk h GLU 103 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.49 1wpk h GLU 103 Cb 0.73 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 1wpk h GLU 103 CO 0.03 0.00 0.13 0.00 0.07 0.00 0.00 179.01 179.24 1wpk h ALA 104 N 1.86 0.51 -0.07 1.06 0.00 -1.94 0.72 119.26 121.39 1wpk h ALA 104 Ca 0.08 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1wpk h ALA 104 Cb 0.39 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1wpk h ALA 104 CO -0.00 -0.26 -0.15 -0.07 0.00 0.00 0.00 179.25 178.76 1wpk h LEU 105 N 0.29 0.10 -0.83 0.00 4.07 -1.43 -1.04 115.31 116.46 1wpk h LEU 105 Ca 0.21 -0.02 -0.12 0.00 0.08 0.00 0.00 57.88 58.03 1wpk h LEU 105 Cb 0.22 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 1wpk h LEU 105 CO -0.23 0.26 -0.56 0.00 -1.08 0.00 0.00 178.44 176.84 1wpk h ALA 106 N 1.75 1.02 -0.17 1.53 0.00 -0.39 -2.97 119.26 120.04 1wpk h ALA 106 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wpk h ALA 106 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1wpk h ALA 106 CO 0.02 0.70 0.11 0.22 0.00 0.00 0.00 179.25 180.30 1wpk h ASP 107 N 0.06 0.19 -0.30 0.00 1.82 0.16 0.83 116.42 119.19 1wpk h ASP 107 Ca -0.00 -0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 56.56 1wpk h ASP 107 Cb 1.00 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.95 1wpk h ASP 107 CO 0.08 0.15 -0.02 1.56 -1.61 0.00 0.00 179.24 179.39 1wpk h GLN 108 N 0.22 0.65 0.00 0.28 7.50 -1.50 -2.47 115.11 119.79 1wpk h GLN 108 Ca 0.06 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 59.04 1wpk h GLN 108 Cb -0.02 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.43 1wpk h GLN 108 CO -0.01 0.69 -0.22 0.28 -1.50 0.00 0.00 178.83 178.06 1wpk h VAL 109 N 0.62 0.07 -2.40 -0.54 2.07 -1.30 -3.47 116.25 111.30 1wpk h VAL 109 Ca 0.12 -1.10 -0.30 0.00 0.82 0.00 0.00 66.70 66.24 1wpk h VAL 109 Cb 0.42 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1wpk h VAL 109 CO 0.02 0.04 -0.40 0.00 0.02 0.00 0.00 177.57 177.25 1wpk n ALA 110 N -2.13 -0.50 -2.32 1.67 0.00 0.28 -5.00 120.51 112.52 1wpk n ALA 110 Ca 0.03 0.14 -0.17 0.00 0.00 0.00 0.00 53.44 53.44 1wpk n ALA 110 Cb 0.55 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.92 1wpk n ALA 110 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wpk s MET 111 N -4.88 1.39 0.70 0.00 -1.94 -0.96 -5.04 119.30 108.57 1wpk s MET 111 Ca 0.05 -1.74 -0.11 0.00 -1.71 0.00 0.00 55.69 52.17 1wpk s MET 111 Cb -0.02 -0.34 0.01 0.00 2.01 0.00 0.00 34.83 36.49 1wpk s MET 111 CO 0.06 -0.25 1.07 -1.12 -0.01 0.00 0.00 175.02 174.77 1wpk s SER 112 N -3.31 5.42 0.44 3.03 0.01 -1.26 -4.63 113.70 113.40 1wpk s SER 112 Ca 0.35 1.33 0.28 0.00 1.31 0.00 0.00 55.95 59.23 1wpk s SER 112 Cb 0.08 -2.19 1.54 0.00 0.21 0.00 0.00 66.02 65.65 1wpk s SER 112 CO 0.12 -1.38 1.86 -0.65 0.41 0.00 0.00 173.24 173.60 1wpk h PRO 113 N -0.68 0.00 -0.10 12.44 0.11 -1.96 -1.92 132.00 139.90 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 1.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.35 1wpk h PRO 113 CO 0.61 0.00 -0.67 0.35 -0.21 0.00 0.00 178.00 178.08 1wpk h PHE 114 N 0.00 0.86 -0.08 0.65 3.04 -1.99 -2.12 116.94 117.31 1wpk h PHE 114 Ca 0.00 -0.40 -0.02 0.00 3.98 0.00 0.00 57.97 61.53 1wpk h PHE 114 Cb 0.09 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.47 1wpk h PHE 114 CO 0.00 1.21 -0.03 0.45 -2.02 0.00 0.00 178.31 177.92 1wpk h HIS 115 N 0.27 0.18 -0.20 0.41 3.86 -1.72 -2.09 115.15 115.86 1wpk h HIS 115 Ca -0.06 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1wpk h HIS 115 Cb 1.32 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 1wpk h HIS 115 CO 0.11 0.50 0.13 1.25 0.86 0.00 0.00 177.93 180.77 1wpk h LEU 116 N -0.19 0.24 -1.11 2.43 6.46 -1.63 0.35 115.31 121.87 1wpk h LEU 116 Ca 0.02 -0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1wpk h LEU 116 Cb 0.44 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 1wpk h LEU 116 CO 0.01 0.21 0.60 -0.74 -0.62 0.00 0.00 178.44 177.90 1wpk h HIS 117 N 0.26 1.11 -0.03 1.25 2.76 -1.41 0.25 115.15 119.34 1wpk h HIS 117 Ca 0.07 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 58.03 1wpk h HIS 117 Cb 0.01 -0.37 0.02 0.00 1.55 0.00 0.00 27.41 28.61 1wpk h HIS 117 CO -0.05 0.64 -0.93 -0.09 -1.30 0.00 0.00 177.93 176.19 1wpk h ARG 118 N 1.14 0.68 -0.49 5.26 1.12 -1.00 -2.51 114.38 118.58 1wpk h ARG 118 Ca 0.37 -0.69 -0.07 0.00 -1.11 0.00 0.00 59.98 58.48 1wpk h ARG 118 Cb 0.04 0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.17 1wpk h ARG 118 CO -0.12 1.28 0.04 -0.07 -3.11 0.00 0.00 179.97 177.99 1wpk h LEU 119 N 0.34 0.82 -0.72 3.80 4.07 0.13 0.99 115.31 124.74 1wpk h LEU 119 Ca -0.11 -0.29 -0.09 0.00 0.08 0.00 0.00 57.88 57.47 1wpk h LEU 119 Cb 1.59 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 43.09 1wpk h LEU 119 CO 0.18 0.90 -0.05 0.15 -1.08 0.00 0.00 178.44 178.54 1wpk h PHE 120 N 0.71 1.01 0.00 1.13 3.04 -0.59 -2.43 116.94 119.81 1wpk h PHE 120 Ca 0.14 -0.18 -0.13 0.00 3.98 0.00 0.00 57.97 61.79 1wpk h PHE 120 Cb 0.46 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 1wpk h PHE 120 CO 0.03 0.94 -0.62 -0.22 -2.02 0.00 0.00 178.31 176.42 1wpk h LYS 121 N 0.85 0.00 0.00 1.11 3.11 -1.29 0.38 116.57 120.72 1wpk h LYS 121 Ca 0.15 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.88 1wpk h LYS 121 Cb 0.57 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.78 1wpk h LYS 121 CO 0.03 0.62 -0.54 0.00 -2.81 0.00 0.00 179.45 176.76 1wpk h ALA 122 N 1.38 1.00 0.00 5.00 0.00 -0.53 -2.70 119.26 123.41 1wpk h ALA 122 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wpk h ALA 122 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wpk h ALA 122 CO 0.08 0.67 -0.20 2.41 0.00 0.00 0.00 179.25 182.21 1wpk n THR 123 N -3.74 0.44 -0.10 0.00 -1.04 -0.94 -4.77 114.28 104.14 1wpk n THR 123 Ca -0.01 0.30 -0.14 0.00 -2.04 0.00 0.00 64.05 62.16 1wpk n THR 123 Cb 0.57 -1.56 -0.03 0.00 -1.82 0.00 0.00 70.33 67.49 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 -0.20 1.27 -1.18 12.58 2.02 -0.66 -3.48 112.91 123.26 1wpk h THR 124 Ca 0.00 -1.65 -0.13 0.00 0.77 0.00 0.00 66.41 65.39 1wpk h THR 124 Cb 0.20 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1wpk h THR 124 CO 0.00 0.55 -0.18 0.61 0.37 0.00 0.00 175.52 176.87 1wpk n GLY 125 N 0.26 0.14 3.09 2.16 0.00 0.82 -4.95 105.19 106.72 1wpk n GLY 125 Ca -0.03 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.48 0.48 0.48 1.61 -1.94 -1.26 -4.93 119.30 109.27 1wpk s MET 126 Ca 0.02 -0.51 -0.12 0.00 -1.71 0.00 0.00 55.69 53.37 1wpk s MET 126 Cb -0.01 0.19 -0.06 0.00 2.01 0.00 0.00 34.83 36.96 1wpk s MET 126 CO 0.03 -0.11 0.88 0.95 -0.01 0.00 0.00 175.02 176.76 1wpk s THR 127 N -1.67 4.71 0.55 2.05 -4.23 -1.26 -4.46 115.64 111.33 1wpk s THR 127 Ca -0.13 0.79 0.24 0.00 -1.18 0.00 0.00 61.69 61.41 1wpk s THR 127 Cb -0.07 -3.77 0.34 0.00 1.34 0.00 0.00 72.50 70.35 1wpk s THR 127 CO -0.00 -0.72 2.11 1.55 -0.54 0.00 0.00 174.62 177.01 1wpk h PRO 128 N 0.75 0.00 0.00 3.99 0.13 -2.00 -0.98 132.00 133.90 1wpk h PRO 128 Ca -0.46 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 1wpk h PRO 128 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wpk h PRO 128 CO 0.62 0.00 -0.94 -0.22 -0.23 0.00 0.00 178.00 177.23 1wpk h LYS 129 N 0.00 0.39 -0.35 0.86 3.64 -2.00 -3.16 116.57 115.95 1wpk h LYS 129 Ca 0.09 -0.42 -0.13 0.00 -1.27 0.00 0.00 60.65 58.92 1wpk h LYS 129 Cb 0.41 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1wpk h LYS 129 CO -0.00 1.09 -0.30 0.00 -2.27 0.00 0.00 179.45 177.98 1wpk h ALA 130 N 0.76 0.83 -0.28 5.00 0.00 -1.58 0.37 119.26 124.36 1wpk h ALA 130 Ca -0.08 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1wpk h ALA 130 Cb 1.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1wpk h ALA 130 CO 0.16 0.64 0.18 -1.49 0.00 0.00 0.00 179.25 178.74 1wpk h TRP 131 N 0.63 0.36 -0.12 0.00 -0.00 -1.45 0.14 115.95 115.51 1wpk h TRP 131 Ca 0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.83 1wpk h TRP 131 Cb 0.81 -0.12 0.01 0.00 -0.00 0.00 0.00 29.16 29.86 1wpk h TRP 131 CO 0.04 0.25 -0.47 1.96 -0.00 0.00 0.00 178.44 180.22 1wpk h GLN 132 N 0.37 0.53 -0.57 0.49 4.20 -1.51 -2.67 115.11 115.95 1wpk h GLN 132 Ca 0.10 -0.41 0.01 0.00 0.06 0.00 0.00 58.65 58.41 1wpk h GLN 132 Cb -0.02 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1wpk h GLN 132 CO -0.02 1.04 0.38 1.96 -0.67 0.00 0.00 178.83 181.51 1wpk h GLN 133 N 0.14 0.73 -0.31 1.46 4.20 -0.80 -1.12 115.11 119.42 1wpk h GLN 133 Ca -0.02 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.47 1wpk h GLN 133 Cb 1.10 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 1wpk h GLN 133 CO 0.10 0.48 -0.47 0.00 -0.67 0.00 0.00 178.83 178.27 1wpk h ALA 134 N 1.65 0.47 -0.14 3.87 0.00 -0.71 -0.72 119.26 123.68 1wpk h ALA 134 Ca 0.21 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1wpk h ALA 134 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1wpk h ALA 134 CO -0.05 0.63 0.03 -1.49 0.00 0.00 0.00 179.25 178.37 1wpk h TRP 135 N 0.64 0.23 -0.02 0.00 4.06 -1.05 0.91 115.95 120.72 1wpk h TRP 135 Ca 0.03 -0.03 -0.10 0.00 2.06 0.00 0.00 58.89 60.85 1wpk h TRP 135 Cb 1.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 1wpk h TRP 135 CO 0.07 0.38 -0.44 0.07 -3.56 0.00 0.00 178.44 174.96 1wpk h ARG 136 N 0.02 0.05 -0.02 0.49 0.11 -1.26 -2.05 114.38 111.72 1wpk h ARG 136 Ca 0.04 -0.02 -0.20 0.00 0.10 0.00 0.00 59.98 59.90 1wpk h ARG 136 Cb 0.26 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 1wpk h ARG 136 CO 0.00 0.49 -0.85 0.00 0.10 0.00 0.00 179.97 179.71 1wpk h ALA 137 N 1.51 0.52 -0.01 0.08 0.00 -0.93 -2.74 119.26 117.69 1wpk h ALA 137 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 54.91 54.07 1wpk h ALA 137 Cb 0.80 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1wpk h ALA 137 CO 0.06 0.84 -0.74 0.00 0.00 0.00 0.00 179.25 179.41 1wpk h ARG 138 N 0.18 0.06 0.00 0.00 3.08 -0.62 -2.11 114.38 114.96 1wpk h ARG 138 Ca -0.05 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 1wpk h ARG 138 Cb 1.46 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.50 1wpk h ARG 138 CO 0.14 0.77 -0.57 0.00 -1.07 0.00 0.00 179.97 179.24 1wpk h ARG 139 N 0.04 0.00 0.18 0.04 2.47 -1.37 -2.09 114.38 113.65 1wpk h ARG 139 Ca -0.01 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.44 1wpk h ARG 139 Cb 1.31 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.65 1wpk h ARG 139 CO 0.10 0.57 -1.23 1.25 0.56 0.00 0.00 179.97 181.22 1wpk h LEU 140 N 0.00 0.60 -0.94 3.04 5.85 -1.41 -2.31 115.31 120.14 1wpk h LEU 140 Ca -0.01 -0.93 -0.11 0.00 0.84 0.00 0.00 57.88 57.68 1wpk h LEU 140 Cb 1.20 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1wpk h LEU 140 CO 0.07 1.58 -0.50 0.08 -0.34 0.00 0.00 178.44 179.34 1wpk h ARG 141 N -0.14 0.08 -0.52 1.25 0.11 -1.44 -3.01 114.38 110.71 1wpk h ARG 141 Ca -0.23 -0.04 -0.29 0.00 0.10 0.00 0.00 59.98 59.52 1wpk h ARG 141 Cb 1.89 0.00 -0.17 0.00 1.11 0.00 0.00 29.97 32.80 1wpk h ARG 141 CO 0.18 0.56 0.05 0.39 0.10 0.00 0.00 179.97 181.25 1wpk n GLU 142 N -3.95 2.05 0.02 0.08 1.02 -0.79 -4.59 120.64 114.49 1wpk n GLU 142 Ca -0.02 -3.23 -0.22 0.00 -0.02 0.00 0.00 57.16 53.67 1wpk n GLU 142 Cb 0.52 -1.93 -0.14 0.00 -0.02 0.00 0.00 31.44 29.87 1wpk n GLU 142 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1wpk h SER 143 N 1.12 0.44 -4.45 1.62 0.87 -1.27 -3.47 113.55 108.40 1wpk h SER 143 Ca 0.33 -0.88 -0.26 0.00 -1.23 0.00 0.00 61.79 59.75 1wpk h SER 143 Cb 1.82 -0.14 -0.15 0.00 -0.44 0.00 0.00 62.40 63.48 1wpk h SER 143 CO 0.60 1.65 -0.71 -0.22 -0.53 0.00 0.00 176.83 177.63 1wpk s LEU 144 N -7.50 2.49 -0.39 2.23 2.96 -1.26 -5.09 118.68 112.11 1wpk s LEU 144 Ca -0.19 -0.96 -0.07 0.00 -0.22 0.00 0.00 54.13 52.69 1wpk s LEU 144 Cb 0.04 -0.16 0.07 0.00 0.50 0.00 0.00 46.19 46.64 1wpk s LEU 144 CO 0.79 -0.40 0.21 0.00 -1.32 0.00 0.00 176.35 175.63 1wpk s ALA 145 N -3.28 3.20 0.00 5.97 0.00 -1.26 -5.03 121.76 121.35 1wpk s ALA 145 Ca 0.11 -2.09 0.00 0.00 0.00 0.00 0.00 51.96 49.97 1wpk s ALA 145 Cb 0.03 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1wpk s ALA 145 CO -0.03 -1.58 0.00 1.63 0.00 0.00 0.00 175.76 175.78