#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cwk s VAL 2 N 0.00 0.10 0.27 3.17 0.11 -1.26 -5.14 120.40 117.65 1cwk s VAL 2 Ca 0.00 -0.80 -0.29 0.00 -2.93 0.00 0.00 61.98 57.95 1cwk s VAL 2 Cb 0.00 -0.32 -0.10 0.00 -1.53 0.00 0.00 36.38 34.43 1cwk s VAL 2 CO 0.00 -0.44 1.36 0.20 -3.33 0.00 0.00 175.10 172.89 1cwk s ASN 3 N -1.39 6.75 0.48 3.54 0.02 -1.26 -4.98 114.94 118.10 1cwk s ASN 3 Ca -0.15 2.62 -0.23 0.00 -1.02 0.00 0.00 52.86 54.09 1cwk s ASN 3 Cb -0.09 -2.63 -0.07 0.00 0.02 0.00 0.00 41.25 38.48 1cwk s ASN 3 CO -0.00 -0.60 1.21 -2.16 0.02 0.00 0.00 177.10 175.57 1cwk s PRO 4 N -0.90 3.62 -0.14 -0.60 0.04 -1.26 -4.81 135.00 130.96 1cwk s PRO 4 Ca 0.55 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 63.45 1cwk s PRO 4 Cb -0.40 -2.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 1cwk s PRO 4 CO 0.46 -0.70 -0.10 0.99 0.04 0.00 0.00 177.00 177.70 1cwk s THR 5 N -1.49 3.37 0.25 1.26 2.01 -1.26 -1.53 115.64 118.26 1cwk s THR 5 Ca 0.65 -0.55 0.08 0.00 0.31 0.00 0.00 61.69 62.18 1cwk s THR 5 Cb -0.31 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 1cwk s THR 5 CO 0.38 0.52 -0.12 0.68 -0.69 0.00 0.00 174.62 175.38 1cwk s VAL 6 N 0.31 1.83 0.13 3.82 -7.23 -0.56 -0.61 120.40 118.10 1cwk s VAL 6 Ca -0.08 -2.21 0.04 0.00 -1.81 0.00 0.00 61.98 57.92 1cwk s VAL 6 Cb -0.15 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1cwk s VAL 6 CO 0.05 -0.45 -0.10 0.72 -0.31 0.00 0.00 175.10 175.00 1cwk s PHE 7 N -2.91 1.22 -0.05 2.82 -0.71 -0.33 -0.43 117.98 117.61 1cwk s PHE 7 Ca 0.26 -0.72 0.03 0.00 -1.04 0.00 0.00 56.93 55.46 1cwk s PHE 7 Cb 0.00 -0.63 0.00 0.00 -1.21 0.00 0.00 43.02 41.18 1cwk s PHE 7 CO 0.10 0.06 -0.13 -0.06 -1.34 0.00 0.00 175.22 173.85 1cwk s PHE 8 N -3.05 1.41 -0.22 3.49 0.08 0.23 -2.44 117.98 117.48 1cwk s PHE 8 Ca 0.14 -0.44 -0.16 0.00 0.12 0.00 0.00 56.93 56.59 1cwk s PHE 8 Cb 0.01 -1.00 -0.04 0.00 -0.57 0.00 0.00 43.02 41.42 1cwk s PHE 8 CO 0.00 -0.19 0.39 -0.51 -0.10 0.00 0.00 175.22 174.81 1cwk s ASP 9 N 0.33 6.38 -0.12 1.36 1.01 0.17 -1.23 116.67 124.57 1cwk s ASP 9 Ca -0.08 0.45 -0.06 0.00 0.71 0.00 0.00 52.55 53.57 1cwk s ASP 9 Cb -0.12 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 1cwk s ASP 9 CO 0.02 -0.11 0.11 -0.63 0.21 0.00 0.00 175.17 174.78 1cwk s ILE 10 N 1.53 5.25 0.11 0.77 -1.09 0.07 -0.60 121.20 127.23 1cwk s ILE 10 Ca 0.18 0.11 0.08 0.00 -2.23 0.00 0.00 60.65 58.79 1cwk s ILE 10 Cb -0.15 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1cwk s ILE 10 CO 0.08 0.60 -0.20 0.00 -1.23 0.00 0.00 174.94 174.19 1cwk s ALA 11 N -0.83 1.77 -0.21 9.38 0.00 0.07 -0.41 121.76 131.53 1cwk s ALA 11 Ca 0.14 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1cwk s ALA 11 Cb -0.12 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.81 1cwk s ALA 11 CO 0.03 0.32 -0.16 0.08 0.00 0.00 0.00 175.76 176.03 1cwk s VAL 12 N -1.31 2.21 -1.57 0.00 1.01 0.64 -1.17 120.40 120.21 1cwk s VAL 12 Ca 0.07 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1cwk s VAL 12 Cb -0.09 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.28 1cwk s VAL 12 CO 0.04 0.37 0.08 0.47 0.00 0.00 0.00 175.10 176.06 1cwk n ASP 13 N 4.59 0.60 0.00 3.32 8.00 0.06 -0.54 116.55 132.58 1cwk n ASP 13 Ca -0.19 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.05 1cwk n ASP 13 Cb 0.48 -1.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 1cwk n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cwk n GLY 14 N -2.38 2.43 3.69 0.44 0.00 -1.26 -5.01 105.19 103.10 1cwk n GLY 14 Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1cwk n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cwk s GLU 15 N -0.20 4.24 0.22 1.61 2.02 0.30 -4.99 118.70 121.90 1cwk s GLU 15 Ca 0.00 0.34 -0.32 0.00 0.02 0.00 0.00 54.97 55.01 1cwk s GLU 15 Cb 0.00 -3.51 -0.13 0.00 0.10 0.00 0.00 34.13 30.60 1cwk s GLU 15 CO 0.00 0.01 1.61 -2.30 0.02 0.00 0.00 175.26 174.60 1cwk n PRO 16 N 4.26 2.48 -0.09 0.39 -0.02 -1.26 -0.26 135.00 140.50 1cwk n PRO 16 Ca -0.07 0.89 -0.10 0.00 -2.02 0.00 0.00 63.50 62.20 1cwk n PRO 16 Cb 0.51 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 1cwk n PRO 16 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1cwk n LEU 17 N 3.14 1.89 0.00 2.45 7.94 0.45 -4.85 117.00 128.03 1cwk n LEU 17 Ca 0.14 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 1cwk n LEU 17 Cb 0.33 -0.72 0.00 0.00 0.53 0.00 0.00 43.42 43.56 1cwk n LEU 17 CO 0.64 -0.24 0.00 0.61 -1.11 0.00 0.00 177.39 177.29 1cwk n GLY 18 N 1.56 -1.68 3.60 -3.96 0.00 -1.19 -5.00 105.19 98.52 1cwk n GLY 18 Ca -0.16 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 1cwk n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cwk s ARG 19 N -1.54 3.29 -0.11 1.61 3.52 -1.26 -0.75 118.95 123.71 1cwk s ARG 19 Ca 0.00 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.17 1cwk s ARG 19 Cb 0.00 -2.85 -0.01 0.00 -1.56 0.00 0.00 34.95 30.53 1cwk s ARG 19 CO 0.00 0.50 -0.19 0.08 -0.81 0.00 0.00 175.30 174.88 1cwk s VAL 20 N -0.33 2.51 0.17 7.11 1.01 -0.36 -4.23 120.40 126.28 1cwk s VAL 20 Ca 0.06 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1cwk s VAL 20 Cb -0.12 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1cwk s VAL 20 CO 0.02 0.55 -0.15 -0.94 0.00 0.00 0.00 175.10 174.58 1cwk s SER 21 N 0.26 3.97 0.02 3.32 1.04 -0.27 -0.60 113.70 121.44 1cwk s SER 21 Ca -0.13 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.69 1cwk s SER 21 Cb -0.17 -0.57 -0.01 0.00 0.10 0.00 0.00 66.02 65.37 1cwk s SER 21 CO 0.07 0.13 -0.11 -0.36 0.98 0.00 0.00 173.24 173.94 1cwk s PHE 22 N -1.56 0.98 -0.18 5.02 0.08 0.43 -0.35 117.98 122.40 1cwk s PHE 22 Ca 0.22 -0.27 -0.09 0.00 0.12 0.00 0.00 56.93 56.91 1cwk s PHE 22 Cb -0.09 -0.60 -0.05 0.00 -0.57 0.00 0.00 43.02 41.71 1cwk s PHE 22 CO 0.13 -0.00 0.12 -2.00 -0.10 0.00 0.00 175.22 173.37 1cwk s GLU 23 N -0.72 4.03 -0.15 0.44 2.12 -0.21 -1.50 118.70 122.72 1cwk s GLU 23 Ca 0.01 -0.22 -0.05 0.00 0.36 0.00 0.00 54.97 55.07 1cwk s GLU 23 Cb -0.06 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1cwk s GLU 23 CO 0.00 0.38 0.04 -0.51 -0.54 0.00 0.00 175.26 174.63 1cwk s LEU 24 N 0.12 3.74 -1.37 2.70 1.43 -0.58 -1.35 118.68 123.37 1cwk s LEU 24 Ca 0.09 0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.21 1cwk s LEU 24 Cb -0.11 -1.91 0.10 0.00 0.03 0.00 0.00 46.19 44.30 1cwk s LEU 24 CO -0.01 0.25 2.20 0.49 0.23 0.00 0.00 176.35 179.52 1cwk n PHE 25 N 2.99 2.90 0.25 0.29 3.72 -0.05 -4.06 117.46 123.49 1cwk n PHE 25 Ca -0.18 -2.87 0.10 0.00 -0.05 0.00 0.00 57.45 54.46 1cwk n PHE 25 Cb 0.53 -2.10 0.63 0.00 -0.94 0.00 0.00 39.48 37.60 1cwk n PHE 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cwk h ALA 26 N 5.43 1.34 0.00 4.37 0.00 -1.85 0.91 119.26 129.47 1cwk h ALA 26 Ca 0.56 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 1cwk h ALA 26 Cb 0.51 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1cwk h ALA 26 CO 1.66 0.20 -0.24 0.38 0.00 0.00 0.00 179.25 181.26 1cwk h ASP 27 N 0.00 0.00 0.00 0.00 2.03 -1.96 -2.84 116.42 113.64 1cwk h ASP 27 Ca -0.00 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.00 1cwk h ASP 27 Cb 0.39 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.84 1cwk h ASP 27 CO 0.02 0.24 -2.11 0.29 -1.03 0.00 0.00 179.24 176.65 1cwk n LYS 28 N -4.15 1.04 -3.24 4.15 5.02 -0.45 -4.78 118.16 115.75 1cwk n LYS 28 Ca -0.02 0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.07 1cwk n LYS 28 Cb 0.30 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 1cwk n LYS 28 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1cwk n VAL 29 N -2.80 0.10 -0.26 -0.18 0.24 0.19 -4.94 118.33 110.68 1cwk n VAL 29 Ca -0.30 -4.34 0.01 0.00 -2.04 0.00 0.00 64.34 57.68 1cwk n VAL 29 Cb 0.96 -1.94 0.14 0.00 -1.47 0.00 0.00 33.84 31.53 1cwk n VAL 29 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1cwk h PRO 30 N 4.00 0.65 -0.31 7.34 0.13 -1.69 -0.54 132.00 141.59 1cwk h PRO 30 Ca 0.10 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.12 1cwk h PRO 30 Cb 0.83 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1cwk h PRO 30 CO 0.56 0.43 -0.11 -0.22 -0.23 0.00 0.00 178.00 178.43 1cwk h LYS 31 N 0.67 0.61 -0.33 0.86 3.64 -1.94 -0.81 116.57 119.27 1cwk h LYS 31 Ca 0.36 -0.25 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 1cwk h LYS 31 Cb 0.34 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1cwk h LYS 31 CO -0.25 0.82 -0.26 1.15 -2.27 0.00 0.00 179.45 178.64 1cwk h THR 32 N 0.38 1.29 -0.65 1.00 2.02 -1.91 -1.94 112.91 113.10 1cwk h THR 32 Ca 0.07 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.84 1cwk h THR 32 Cb 0.61 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1cwk h THR 32 CO 0.04 0.46 0.41 0.00 0.37 0.00 0.00 175.52 176.80 1cwk h ALA 33 N 0.75 0.82 -0.62 6.16 0.00 -1.05 -2.68 119.26 122.64 1cwk h ALA 33 Ca 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1cwk h ALA 33 Cb 0.82 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1cwk h ALA 33 CO 0.07 0.27 0.24 1.49 0.00 0.00 0.00 179.25 181.32 1cwk h GLU 34 N 0.87 0.92 -0.21 0.00 4.57 -1.00 -0.50 114.58 119.24 1cwk h GLU 34 Ca 0.23 -0.17 0.05 0.00 -1.18 0.00 0.00 59.36 58.30 1cwk h GLU 34 Cb -0.07 -0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 28.31 1cwk h GLU 34 CO -0.05 0.78 -0.16 -0.97 -1.18 0.00 0.00 179.01 177.43 1cwk h ASN 35 N 0.86 -0.52 -0.60 1.04 -1.24 -1.17 -0.26 115.58 113.68 1cwk h ASN 35 Ca 0.21 0.11 -0.09 0.00 0.71 0.00 0.00 56.30 57.23 1cwk h ASN 35 Cb 0.21 0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 1cwk h ASN 35 CO -0.02 -0.20 0.02 0.15 -1.29 0.00 0.00 177.43 176.09 1cwk h PHE 36 N -0.17 1.14 -0.03 0.67 3.57 -1.15 -1.40 116.94 119.58 1cwk h PHE 36 Ca 0.12 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1cwk h PHE 36 Cb 0.35 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1cwk h PHE 36 CO -0.31 1.00 0.02 -0.09 -2.23 0.00 0.00 178.31 176.69 1cwk h ARG 37 N 0.95 0.04 -0.13 1.11 2.43 -0.79 -1.55 114.38 116.45 1cwk h ARG 37 Ca 0.17 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1cwk h ARG 37 Cb 0.53 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1cwk h ARG 37 CO 0.03 0.14 -0.29 0.00 -1.51 0.00 0.00 179.97 178.34 1cwk h ALA 38 N 0.90 1.26 0.00 2.80 0.00 -0.93 -1.69 119.26 121.59 1cwk h ALA 38 Ca 0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1cwk h ALA 38 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1cwk h ALA 38 CO -0.00 0.50 -0.30 -0.07 0.00 0.00 0.00 179.25 179.37 1cwk h LEU 39 N 0.22 0.00 0.03 0.00 3.38 -1.12 -1.92 115.31 115.89 1cwk h LEU 39 Ca 0.03 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 1cwk h LEU 39 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1cwk h LEU 39 CO 0.05 0.30 -1.07 0.28 0.09 0.00 0.00 178.44 178.09 1cwk h SER 40 N 0.00 0.10 1.56 -0.43 0.02 -0.54 -1.08 113.55 113.17 1cwk h SER 40 Ca -0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1cwk h SER 40 Cb 0.77 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1cwk h SER 40 CO 0.04 1.08 -0.29 0.71 -1.14 0.00 0.00 176.83 177.23 1cwk h THR 41 N 0.02 0.00 -0.28 -2.27 1.35 -1.23 -3.07 112.91 107.43 1cwk h THR 41 Ca -0.04 -0.85 -0.12 0.00 -0.55 0.00 0.00 66.41 64.85 1cwk h THR 41 Cb 1.82 1.69 -0.05 0.00 -1.73 0.00 0.00 68.15 69.89 1cwk h THR 41 CO 0.15 0.00 -0.11 0.61 -0.25 0.00 0.00 175.52 175.92 1cwk n GLY 42 N 1.18 0.81 0.25 5.82 0.00 -0.73 -4.92 105.19 107.60 1cwk n GLY 42 Ca 0.03 -0.51 0.17 0.00 0.00 0.00 0.00 46.02 45.72 1cwk n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1cwk h GLU 43 N 0.16 0.00 -0.06 1.61 4.11 -1.78 -1.20 114.58 117.42 1cwk h GLU 43 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.31 1cwk h GLU 43 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1cwk h GLU 43 CO 0.17 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.88 1cwk n LYS 44 N -2.83 1.52 -0.21 1.06 4.76 -1.26 -4.89 118.16 116.31 1cwk n LYS 44 Ca -0.00 -0.77 0.00 0.00 -2.87 0.00 0.00 58.31 54.66 1cwk n LYS 44 Cb 0.20 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1cwk n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cwk n GLY 45 N 1.09 0.89 3.42 0.72 0.00 -0.45 -5.06 105.19 105.81 1cwk n GLY 45 Ca 0.18 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1cwk n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1cwk s PHE 46 N -2.00 -0.47 -2.91 1.61 -0.12 -1.24 -5.12 117.98 107.72 1cwk s PHE 46 Ca 0.00 0.24 0.00 0.00 -0.05 0.00 0.00 56.93 57.12 1cwk s PHE 46 Cb 0.00 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1cwk s PHE 46 CO 0.00 -0.84 0.00 0.41 -0.05 0.00 0.00 175.22 174.74 1cwk n GLY 47 N -0.36 -0.66 0.21 1.99 0.00 -1.26 -4.34 105.19 100.76 1cwk n GLY 47 Ca -0.16 -0.92 0.10 0.00 0.00 0.00 0.00 46.02 45.03 1cwk n GLY 47 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1cwk h TYR 48 N 0.00 0.00 -2.45 1.61 0.05 -1.53 -3.45 116.97 111.21 1cwk h TYR 48 Ca 0.00 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.24 1cwk h TYR 48 Cb 0.00 0.00 0.04 0.00 1.01 0.00 0.00 36.73 37.78 1cwk h TYR 48 CO 0.00 0.18 1.10 1.17 -1.05 0.00 0.00 178.16 179.56 1cwk n LYS 49 N -3.19 2.72 -0.47 4.88 4.81 -1.26 -1.18 118.16 124.47 1cwk n LYS 49 Ca 0.02 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 1cwk n LYS 49 Cb 0.53 -2.88 0.00 0.00 0.02 0.00 0.00 35.03 32.70 1cwk n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cwk n GLY 50 N 4.21 0.85 3.97 3.14 0.00 0.77 -5.04 105.19 113.09 1cwk n GLY 50 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1cwk n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cwk s SER 51 N -3.01 4.64 0.35 1.61 1.04 -0.33 -4.76 113.70 113.24 1cwk s SER 51 Ca 0.00 -0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.43 1cwk s SER 51 Cb 0.00 -0.49 -0.07 0.00 0.10 0.00 0.00 66.02 65.57 1cwk s SER 51 CO 0.00 -1.65 -0.03 0.00 0.98 0.00 0.00 173.24 172.54 1cwk s PHE 53 N -2.82 3.00 -0.94 0.00 0.40 -0.11 -4.00 117.98 113.51 1cwk s PHE 53 Ca 0.33 -0.05 0.25 0.00 -0.60 0.00 0.00 56.93 56.87 1cwk s PHE 53 Cb 0.06 -3.59 0.54 0.00 0.51 0.00 0.00 43.02 40.54 1cwk s PHE 53 CO 0.16 -1.01 1.44 -2.39 0.70 0.00 0.00 175.22 174.12 1cwk n HIS 54 N 6.58 0.09 -3.56 0.36 1.44 -0.74 -4.59 115.22 114.81 1cwk n HIS 54 Ca -0.01 0.03 -0.12 0.00 -2.01 0.00 0.00 57.72 55.61 1cwk n HIS 54 Cb 0.48 -0.34 -0.11 0.00 0.12 0.00 0.00 29.99 30.13 1cwk n HIS 54 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1cwk s ARG 55 N -3.03 0.24 -0.09 -1.40 3.52 -1.20 -4.63 118.95 112.36 1cwk s ARG 55 Ca 0.10 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 56.40 1cwk s ARG 55 Cb 0.17 -0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.36 1cwk s ARG 55 CO 0.69 -0.42 -0.09 0.42 -0.81 0.00 0.00 175.30 175.10 1cwk s ILE 56 N 2.48 1.01 -0.26 4.11 1.01 -0.45 -0.44 121.20 128.67 1cwk s ILE 56 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.39 1cwk s ILE 56 Cb -0.13 -1.00 0.06 0.00 0.01 0.00 0.00 42.46 41.40 1cwk s ILE 56 CO -0.12 0.35 -0.10 -0.63 0.00 0.00 0.00 174.94 174.45 1cwk s ILE 57 N 1.35 2.05 0.30 2.92 1.01 -0.45 -2.09 121.20 126.28 1cwk s ILE 57 Ca -0.02 -1.57 -0.28 0.00 0.00 0.00 0.00 60.65 58.78 1cwk s ILE 57 Cb -0.14 -2.20 -0.14 0.00 0.01 0.00 0.00 42.46 40.00 1cwk s ILE 57 CO -0.04 -0.05 1.10 -2.65 0.00 0.00 0.00 174.94 173.30 1cwk n PRO 58 N 4.47 1.58 -0.79 2.79 -0.02 -1.26 -1.44 135.00 140.33 1cwk n PRO 58 Ca -0.13 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1cwk n PRO 58 Cb 0.42 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1cwk n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cwk n GLY 59 N 1.11 1.07 0.87 -1.23 0.00 -1.26 -4.82 105.19 100.93 1cwk n GLY 59 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1cwk n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1cwk n PHE 60 N -2.00 0.00 -3.64 1.61 7.35 -0.52 -4.41 117.46 115.84 1cwk n PHE 60 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 1cwk n PHE 60 Cb 0.00 0.07 -0.01 0.00 0.35 0.00 0.00 39.48 39.89 1cwk n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1cwk s MET 61 N -0.72 0.80 -0.17 -4.13 0.23 -0.98 -0.64 119.30 113.69 1cwk s MET 61 Ca 0.00 -0.40 -0.01 0.00 -1.03 0.00 0.00 55.69 54.25 1cwk s MET 61 Cb 0.00 0.30 -0.00 0.00 -1.53 0.00 0.00 34.83 33.60 1cwk s MET 61 CO 0.00 -0.36 -0.12 0.00 -2.03 0.00 0.00 175.02 172.51 1cwk s GLN 63 N 0.97 2.70 0.00 0.00 0.74 0.42 -0.87 119.66 123.61 1cwk s GLN 63 Ca -0.02 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 54.72 1cwk s GLN 63 Cb -0.15 -2.45 0.00 0.00 1.10 0.00 0.00 33.01 31.51 1cwk s GLN 63 CO -0.02 0.55 0.00 0.41 -0.55 0.00 0.00 175.29 175.69 1cwk n GLY 64 N 2.52 3.14 0.00 2.59 0.00 -0.64 -1.79 105.19 111.00 1cwk n GLY 64 Ca -0.17 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1cwk n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwk n GLY 65 N 0.00 0.69 3.47 -0.02 0.00 -1.26 -1.54 105.19 106.54 1cwk n GLY 65 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1cwk n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cwk s ASP 66 N -2.55 6.70 0.00 1.61 -1.08 -1.26 -4.15 116.67 115.95 1cwk s ASP 66 Ca 0.00 -2.17 0.26 0.00 -0.52 0.00 0.00 52.55 50.12 1cwk s ASP 66 Cb 0.00 -2.42 0.67 0.00 -1.46 0.00 0.00 42.92 39.71 1cwk s ASP 66 CO 0.00 -1.06 1.52 2.22 0.52 0.00 0.00 175.17 178.37 1cwk n PHE 67 N 6.70 0.00 -0.04 -5.34 1.16 -1.26 -2.86 117.46 115.82 1cwk n PHE 67 Ca 0.28 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.83 1cwk n PHE 67 Cb 0.48 -0.06 -0.01 0.00 -1.61 0.00 0.00 39.48 38.28 1cwk n PHE 67 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1cwk n THR 68 N -0.18 0.72 0.52 1.97 -2.24 -1.26 -4.62 114.28 109.19 1cwk n THR 68 Ca 0.14 0.34 0.12 0.00 -2.27 0.00 0.00 64.05 62.38 1cwk n THR 68 Cb 0.39 -1.92 0.27 0.00 -2.10 0.00 0.00 70.33 66.96 1cwk n THR 68 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1cwk h ARG 69 N -0.49 0.00 0.00 -0.78 2.47 -1.91 -3.48 114.38 110.19 1cwk h ARG 69 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1cwk h ARG 69 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 1cwk h ARG 69 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 179.97 181.25 1cwk n HIS 70 N -2.35 0.00 -0.31 3.04 8.25 -1.14 -4.77 115.22 117.94 1cwk n HIS 70 Ca 0.04 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.61 1cwk n HIS 70 Cb 0.45 -0.96 0.32 0.00 1.12 0.00 0.00 29.99 30.93 1cwk n HIS 70 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1cwk n ASN 71 N 0.00 3.95 0.00 0.41 0.23 -1.26 -4.84 115.26 113.75 1cwk n ASN 71 Ca 0.00 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 1cwk n ASN 71 Cb 0.00 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.21 1cwk n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cwk n GLY 72 N 1.56 0.73 0.10 4.83 0.00 -1.26 -4.93 105.19 106.22 1cwk n GLY 72 Ca 0.24 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.36 1cwk n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cwk n THR 73 N -2.00 0.00 -1.57 2.61 -2.24 -1.26 -5.03 114.28 104.80 1cwk n THR 73 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1cwk n THR 73 Cb 0.00 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1cwk n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cwk n GLY 74 N 1.48 4.30 0.00 3.38 0.00 -1.26 -4.99 105.19 108.10 1cwk n GLY 74 Ca 0.05 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1cwk n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwk n GLY 75 N 5.00 2.18 3.33 -0.02 0.00 -1.26 -4.57 105.19 109.84 1cwk n GLY 75 Ca 0.00 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 1cwk n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cwk s LYS 76 N -3.30 1.09 0.76 1.61 -2.85 -1.26 -4.62 119.74 111.17 1cwk s LYS 76 Ca 0.00 -0.78 -0.03 0.00 -1.00 0.00 0.00 55.97 54.15 1cwk s LYS 76 Cb 0.00 0.46 0.16 0.00 -2.06 0.00 0.00 37.83 36.38 1cwk s LYS 76 CO 0.00 -0.42 1.04 -1.13 0.10 0.00 0.00 175.35 174.94 1cwk n SER 77 N -0.22 1.07 -0.13 0.03 3.41 -0.75 -4.04 113.62 112.99 1cwk n SER 77 Ca -0.15 -1.98 0.15 0.00 -0.26 0.00 0.00 58.87 56.63 1cwk n SER 77 Cb 0.63 -0.70 0.73 0.00 -0.26 0.00 0.00 64.21 64.61 1cwk n SER 77 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1cwk n ILE 78 N -3.02 0.00 -0.64 -1.33 -5.35 -1.26 -3.56 119.36 104.20 1cwk n ILE 78 Ca 0.16 -0.07 0.08 0.00 -0.27 0.00 0.00 62.75 62.66 1cwk n ILE 78 Cb 0.57 -0.18 0.28 0.00 -1.74 0.00 0.00 39.64 38.58 1cwk n ILE 78 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1cwk n TYR 79 N -0.81 1.11 0.00 4.28 4.01 -1.26 -5.07 117.16 119.42 1cwk n TYR 79 Ca 0.19 -0.67 0.00 0.00 -0.16 0.00 0.00 57.90 57.26 1cwk n TYR 79 Cb 0.23 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1cwk n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cwk n GLY 80 N 0.46 -0.69 0.08 2.72 0.00 -1.23 -4.85 105.19 101.69 1cwk n GLY 80 Ca 0.21 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 1cwk n GLY 80 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1cwk h GLU 81 N 3.62 0.14 -4.47 1.61 4.22 -1.95 -1.99 114.58 115.75 1cwk h GLU 81 Ca 0.00 -0.03 -0.20 0.00 0.08 0.00 0.00 59.36 59.21 1cwk h GLU 81 Cb 0.00 -0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.07 1cwk h GLU 81 CO 0.00 0.30 -0.70 0.15 -2.18 0.00 0.00 179.01 176.58 1cwk s LYS 82 N -5.39 0.69 0.19 1.92 1.02 -1.26 -2.84 119.74 114.07 1cwk s LYS 82 Ca -0.14 -1.18 -0.05 0.00 0.02 0.00 0.00 55.97 54.62 1cwk s LYS 82 Cb 0.06 -0.07 -0.03 0.00 -0.52 0.00 0.00 37.83 37.27 1cwk s LYS 82 CO 0.69 -0.04 0.22 -0.59 -0.92 0.00 0.00 175.35 174.70 1cwk s PHE 83 N -3.27 0.77 0.84 3.18 -0.71 0.06 -4.90 117.98 113.95 1cwk s PHE 83 Ca 0.06 -1.08 -0.11 0.00 -1.04 0.00 0.00 56.93 54.75 1cwk s PHE 83 Cb 0.03 -0.29 0.10 0.00 -1.21 0.00 0.00 43.02 41.65 1cwk s PHE 83 CO -0.05 -0.70 1.10 -1.83 -1.34 0.00 0.00 175.22 172.40 1cwk s GLU 84 N -4.07 1.67 -0.34 1.99 1.03 -1.26 -1.35 118.70 116.36 1cwk s GLU 84 Ca 0.28 1.14 -0.29 0.00 0.03 0.00 0.00 54.97 56.13 1cwk s GLU 84 Cb 0.05 -1.83 0.01 0.00 -0.80 0.00 0.00 34.13 31.56 1cwk s GLU 84 CO 0.07 -2.05 1.25 -0.51 -1.33 0.00 0.00 175.26 172.69 1cwk s ASP 85 N -3.23 6.67 0.01 0.83 1.01 -1.26 -4.79 116.67 115.91 1cwk s ASP 85 Ca 0.63 1.03 -0.25 0.00 0.71 0.00 0.00 52.55 54.66 1cwk s ASP 85 Cb -0.19 -2.54 -0.18 0.00 1.01 0.00 0.00 42.92 41.02 1cwk s ASP 85 CO 0.57 -1.11 1.33 -0.08 0.21 0.00 0.00 175.17 176.09 1cwk h GLU 86 N 9.24 -0.15 -2.29 8.23 4.81 -2.00 -3.48 114.58 128.94 1cwk h GLU 86 Ca -0.25 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.18 1cwk h GLU 86 Cb 1.09 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.43 1cwk h GLU 86 CO 1.05 0.18 0.53 0.54 -0.73 0.00 0.00 179.01 180.59 1cwk s ASN 87 N -5.37 -0.13 -0.32 1.04 2.20 -1.26 -5.05 114.94 106.05 1cwk s ASN 87 Ca -0.15 -0.43 0.10 0.00 -0.94 0.00 0.00 52.86 51.45 1cwk s ASN 87 Cb 0.03 0.46 0.46 0.00 -2.00 0.00 0.00 41.25 40.20 1cwk s ASN 87 CO 0.62 -0.86 1.13 0.49 -2.94 0.00 0.00 177.10 175.54 1cwk n PHE 88 N -0.51 2.49 -0.14 1.54 3.72 -1.26 -4.74 117.46 118.56 1cwk n PHE 88 Ca -0.06 -2.47 -0.08 0.00 -0.05 0.00 0.00 57.45 54.79 1cwk n PHE 88 Cb 0.61 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1cwk n PHE 88 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1cwk h ILE 89 N 2.98 1.15 -3.24 4.37 2.04 -1.95 -3.44 117.51 119.41 1cwk h ILE 89 Ca 0.22 -0.36 -0.56 0.00 1.00 0.00 0.00 64.86 65.15 1cwk h ILE 89 Cb 1.31 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1cwk h ILE 89 CO 0.65 0.15 -0.25 -0.76 0.00 0.00 0.00 178.15 177.94 1cwk s LEU 90 N -10.01 4.23 0.42 1.44 1.43 -1.26 -5.10 118.68 109.84 1cwk s LEU 90 Ca -0.13 0.69 0.07 0.00 -1.03 0.00 0.00 54.13 53.73 1cwk s LEU 90 Cb 0.11 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.85 1cwk s LEU 90 CO 0.74 0.01 0.15 -0.54 0.23 0.00 0.00 176.35 176.93 1cwk s LYS 91 N -2.74 2.17 -1.15 1.70 -0.14 -1.26 -4.49 119.74 113.83 1cwk s LYS 91 Ca 0.43 -1.94 -0.08 0.00 -1.36 0.00 0.00 55.97 53.01 1cwk s LYS 91 Cb -0.12 -1.89 0.25 0.00 -1.68 0.00 0.00 37.83 34.39 1cwk s LYS 91 CO 0.24 -0.14 1.42 0.72 -0.76 0.00 0.00 175.35 176.82 1cwk n HIS 92 N -1.21 3.93 0.45 3.18 8.25 -1.26 -4.83 115.22 123.74 1cwk n HIS 92 Ca -0.03 -3.22 0.12 0.00 -0.26 0.00 0.00 57.72 54.33 1cwk n HIS 92 Cb 0.65 -1.71 0.27 0.00 1.12 0.00 0.00 29.99 30.33 1cwk n HIS 92 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1cwk h THR 93 N 3.79 0.00 0.00 1.59 1.35 -1.92 -2.50 112.91 115.21 1cwk h THR 93 Ca 0.25 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1cwk h THR 93 Cb 0.75 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1cwk h THR 93 CO 1.26 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.14 1cwk n GLY 94 N 1.24 -1.36 3.65 5.82 0.00 -1.26 -4.52 105.19 108.76 1cwk n GLY 94 Ca 0.04 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1cwk n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cwk n PRO 95 N -0.06 1.67 -0.01 1.61 -0.02 -1.26 -3.53 135.00 133.40 1cwk n PRO 95 Ca 0.00 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1cwk n PRO 95 Cb 0.00 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1cwk n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cwk n GLY 96 N 1.00 0.82 3.74 -1.23 0.00 0.63 -4.94 105.19 105.21 1cwk n GLY 96 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1cwk n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cwk s ILE 97 N -2.29 2.95 -0.21 -0.61 -1.09 -1.23 -0.39 121.20 118.33 1cwk s ILE 97 Ca 0.00 0.79 -0.07 0.00 -2.23 0.00 0.00 60.65 59.14 1cwk s ILE 97 Cb 0.00 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1cwk s ILE 97 CO 0.00 0.12 0.06 -0.22 -1.23 0.00 0.00 174.94 173.67 1cwk s LEU 98 N -0.26 3.60 0.08 2.97 2.96 -0.27 -0.86 118.68 126.89 1cwk s LEU 98 Ca 0.58 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 54.39 1cwk s LEU 98 Cb -0.39 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1cwk s LEU 98 CO 0.41 0.08 0.03 -0.55 -1.32 0.00 0.00 176.35 175.00 1cwk s SER 99 N 0.95 0.38 -0.04 3.68 0.15 -0.66 -1.37 113.70 116.78 1cwk s SER 99 Ca 0.04 -0.98 -0.20 0.00 0.70 0.00 0.00 55.95 55.50 1cwk s SER 99 Cb -0.14 0.25 -0.05 0.00 -1.71 0.00 0.00 66.02 64.37 1cwk s SER 99 CO 0.03 -0.66 0.56 -0.04 1.20 0.00 0.00 173.24 174.33 1cwk s MET 100 N -3.94 4.30 0.59 5.44 1.00 -0.69 -1.14 119.30 124.86 1cwk s MET 100 Ca 0.11 0.65 -0.13 0.00 0.00 0.00 0.00 55.69 56.31 1cwk s MET 100 Cb 0.07 -3.37 -0.05 0.00 0.00 0.00 0.00 34.83 31.49 1cwk s MET 100 CO -0.07 0.31 1.02 0.00 0.00 0.00 0.00 175.02 176.27 1cwk s ALA 101 N 0.06 3.00 0.13 3.03 0.00 -0.67 -4.35 121.76 122.96 1cwk s ALA 101 Ca 0.30 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 1cwk s ALA 101 Cb -0.17 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.85 1cwk s ALA 101 CO 0.15 -0.60 0.32 0.27 0.00 0.00 0.00 175.76 175.90 1cwk n ASN 102 N -2.30 -0.82 -1.65 0.00 2.04 -1.26 -4.55 115.26 106.72 1cwk n ASN 102 Ca 0.07 -1.54 -0.05 0.00 -0.44 0.00 0.00 54.58 52.62 1cwk n ASN 102 Cb 0.54 1.36 0.08 0.00 -2.53 0.00 0.00 39.78 39.23 1cwk n ASN 102 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1cwk n ALA 103 N -2.10 3.62 0.00 -2.53 0.00 -1.26 -5.09 120.51 113.16 1cwk n ALA 103 Ca -0.06 -3.17 0.00 0.00 0.00 0.00 0.00 53.44 50.21 1cwk n ALA 103 Cb 0.22 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1cwk n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cwk n GLY 104 N -0.58 0.67 3.66 0.00 0.00 -1.26 -4.99 105.19 102.69 1cwk n GLY 104 Ca 0.22 -2.24 -0.49 0.00 0.00 0.00 0.00 46.02 43.52 1cwk n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cwk n PRO 105 N -0.66 1.85 -3.26 1.61 -0.02 -1.26 -3.47 135.00 129.78 1cwk n PRO 105 Ca 0.00 0.67 -0.16 0.00 -2.02 0.00 0.00 63.50 61.99 1cwk n PRO 105 Cb 0.00 -2.42 0.07 0.00 -0.02 0.00 0.00 33.50 31.14 1cwk n PRO 105 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cwk n ASN 106 N 4.04 -2.82 -2.38 2.55 3.02 -1.26 -4.95 115.26 113.45 1cwk n ASN 106 Ca 0.19 -0.51 -0.09 0.00 -0.03 0.00 0.00 54.58 54.14 1cwk n ASN 106 Cb 0.25 -4.42 0.04 0.00 -0.61 0.00 0.00 39.78 35.05 1cwk n ASN 106 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1cwk n THR 107 N -3.87 1.71 -2.47 3.41 -2.24 -1.21 -4.51 114.28 105.10 1cwk n THR 107 Ca -0.19 -3.32 -0.41 0.00 -2.27 0.00 0.00 64.05 57.86 1cwk n THR 107 Cb 0.62 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 1cwk n THR 107 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1cwk s ASN 108 N -3.62 7.23 0.00 3.42 0.01 -0.46 -4.33 114.94 117.20 1cwk s ASN 108 Ca 0.37 2.18 0.00 0.00 -0.71 0.00 0.00 52.86 54.70 1cwk s ASN 108 Cb 0.36 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.41 1cwk s ASN 108 CO -0.02 -0.22 0.00 0.61 -1.51 0.00 0.00 177.10 175.96 1cwk n GLY 109 N 1.77 1.93 0.00 0.66 0.00 -1.26 -0.76 105.19 107.53 1cwk n GLY 109 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1cwk n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cwk n SER 110 N 0.00 0.98 -4.77 1.61 3.41 -1.26 -3.93 113.62 109.66 1cwk n SER 110 Ca 0.00 -0.32 -0.38 0.00 -0.26 0.00 0.00 58.87 57.91 1cwk n SER 110 Cb 0.00 0.83 -0.04 0.00 -0.26 0.00 0.00 64.21 64.74 1cwk n SER 110 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cwk s GLN 111 N -1.03 4.44 0.21 4.33 -0.21 -1.26 -4.58 119.66 121.57 1cwk s GLN 111 Ca 0.00 1.64 -0.05 0.00 0.02 0.00 0.00 55.36 56.97 1cwk s GLN 111 Cb 0.00 -2.89 -0.03 0.00 1.00 0.00 0.00 33.01 31.09 1cwk s GLN 111 CO 0.00 0.07 0.23 -0.59 -2.12 0.00 0.00 175.29 172.89 1cwk s PHE 112 N -1.40 0.91 0.02 0.91 -0.12 -0.59 -1.67 117.98 116.03 1cwk s PHE 112 Ca 0.50 -1.17 -0.02 0.00 -0.05 0.00 0.00 56.93 56.19 1cwk s PHE 112 Cb -0.27 -0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 41.78 1cwk s PHE 112 CO 0.34 -0.74 0.02 -0.59 -0.05 0.00 0.00 175.22 174.20 1cwk s PHE 113 N -4.11 0.21 -0.25 3.49 -0.71 -0.29 -1.63 117.98 114.69 1cwk s PHE 113 Ca 0.33 -0.44 -0.07 0.00 -1.04 0.00 0.00 56.93 55.71 1cwk s PHE 113 Cb 0.05 -0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.67 1cwk s PHE 113 CO 0.11 -0.23 0.07 0.42 -1.34 0.00 0.00 175.22 174.25 1cwk s ILE 114 N -1.59 4.35 0.27 -4.49 1.01 -0.05 -1.66 121.20 119.04 1cwk s ILE 114 Ca -0.14 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 1cwk s ILE 114 Cb -0.08 -3.04 -0.09 0.00 0.01 0.00 0.00 42.46 39.26 1cwk s ILE 114 CO -0.01 0.34 1.06 0.00 0.00 0.00 0.00 174.94 176.33 1cwk n THR 116 N 1.24 0.77 -3.83 0.00 -2.24 0.19 -0.27 114.28 110.13 1cwk n THR 116 Ca -0.01 -0.88 -0.09 0.00 -2.27 0.00 0.00 64.05 60.79 1cwk n THR 116 Cb 0.45 0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 69.32 1cwk n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cwk s ALA 117 N -1.01 -0.75 0.14 6.98 0.00 -1.24 -4.35 121.76 121.53 1cwk s ALA 117 Ca 0.23 -0.44 -0.31 0.00 0.00 0.00 0.00 51.96 51.44 1cwk s ALA 117 Cb 0.13 0.91 -0.09 0.00 0.00 0.00 0.00 23.12 24.06 1cwk s ALA 117 CO 0.17 -0.84 1.58 0.21 0.00 0.00 0.00 175.76 176.87 1cwk s LYS 118 N -3.92 4.22 -0.53 0.00 2.20 -1.26 -4.10 119.74 116.35 1cwk s LYS 118 Ca 0.13 2.34 0.07 0.00 -0.36 0.00 0.00 55.97 58.15 1cwk s LYS 118 Cb -0.01 -3.26 0.28 0.00 -1.51 0.00 0.00 37.83 33.32 1cwk s LYS 118 CO 0.02 -0.63 0.72 0.25 -0.36 0.00 0.00 175.35 175.36 1cwk n THR 119 N 4.15 1.39 0.31 3.43 -2.24 -0.94 -4.91 114.28 115.47 1cwk n THR 119 Ca 0.14 -4.89 0.20 0.00 -2.27 0.00 0.00 64.05 57.23 1cwk n THR 119 Cb 0.39 -1.72 1.02 0.00 -2.10 0.00 0.00 70.33 67.92 1cwk n THR 119 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1cwk h GLU 120 N 3.77 0.00 0.00 -0.78 9.09 -1.94 -2.33 114.58 122.40 1cwk h GLU 120 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1cwk h GLU 120 Cb 0.73 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.83 1cwk h GLU 120 CO 0.69 0.00 0.00 -2.67 0.05 0.00 0.00 179.01 177.08 1cwk n TRP 121 N -2.97 0.53 1.06 2.06 2.14 -1.26 -1.91 117.44 117.09 1cwk n TRP 121 Ca -0.02 0.23 0.11 0.00 2.07 0.00 0.00 57.50 59.90 1cwk n TRP 121 Cb 0.13 -0.87 0.12 0.00 -0.81 0.00 0.00 31.31 29.88 1cwk n TRP 121 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1cwk n LEU 122 N -2.00 1.12 -4.77 5.67 4.77 -0.87 -4.89 117.00 116.02 1cwk n LEU 122 Ca 0.01 -0.37 -0.41 0.00 -0.03 0.00 0.00 56.01 55.21 1cwk n LEU 122 Cb 0.14 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1cwk n LEU 122 CO 0.13 0.23 1.07 -1.81 -1.33 0.00 0.00 177.39 175.68 1cwk s ASP 123 N -2.76 6.57 0.00 -1.43 1.01 -0.80 -1.69 116.67 117.57 1cwk s ASP 123 Ca 0.15 2.84 0.00 0.00 0.71 0.00 0.00 52.55 56.25 1cwk s ASP 123 Cb 0.18 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1cwk s ASP 123 CO 0.67 -0.70 0.00 0.61 0.21 0.00 0.00 175.17 175.96 1cwk n GLY 124 N 0.89 1.86 0.00 0.21 0.00 -1.26 -4.76 105.19 102.13 1cwk n GLY 124 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1cwk n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cwk n LYS 125 N -2.00 1.58 -4.48 1.61 5.02 -0.68 -5.02 118.16 114.18 1cwk n LYS 125 Ca 0.00 -0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 1cwk n LYS 125 Cb 0.00 -1.03 -0.16 0.00 -0.02 0.00 0.00 35.03 33.82 1cwk n LYS 125 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1cwk s HIS 126 N -2.07 1.23 -0.31 2.13 3.76 -0.93 -4.91 115.29 114.19 1cwk s HIS 126 Ca -0.01 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.21 1cwk s HIS 126 Cb 0.01 -0.91 0.02 0.00 1.11 0.00 0.00 32.58 32.80 1cwk s HIS 126 CO 0.05 -0.21 1.06 0.08 -0.85 0.00 0.00 174.74 174.88 1cwk s VAL 127 N 0.56 4.54 0.03 -0.90 1.01 -1.26 -4.82 120.40 119.56 1cwk s VAL 127 Ca -0.11 1.76 -0.29 0.00 0.00 0.00 0.00 61.98 63.34 1cwk s VAL 127 Cb -0.14 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1cwk s VAL 127 CO 0.02 -0.44 0.95 -0.69 0.00 0.00 0.00 175.10 174.94 1cwk s VAL 128 N 3.58 4.77 0.00 2.92 1.01 -1.26 -1.71 120.40 129.71 1cwk s VAL 128 Ca 0.45 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.43 1cwk s VAL 128 Cb -0.13 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1cwk s VAL 128 CO 0.14 0.22 0.04 2.22 0.00 0.00 0.00 175.10 177.72 1cwk n PHE 129 N 3.52 0.00 -3.76 5.22 -1.74 -0.47 -4.70 117.46 115.53 1cwk n PHE 129 Ca 0.04 -0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.89 1cwk n PHE 129 Cb 0.50 -0.00 0.02 0.00 1.52 0.00 0.00 39.48 41.53 1cwk n PHE 129 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1cwk n GLY 130 N -0.00 0.88 3.27 4.97 0.00 -1.10 -0.87 105.19 112.34 1cwk n GLY 130 Ca 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 1cwk n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cwk s LYS 131 N -2.06 0.90 0.11 1.61 -2.85 -0.45 -1.12 119.74 115.89 1cwk s LYS 131 Ca 0.17 -0.63 -0.31 0.00 -1.00 0.00 0.00 55.97 54.19 1cwk s LYS 131 Cb -0.03 0.39 -0.08 0.00 -2.06 0.00 0.00 37.83 36.05 1cwk s LYS 131 CO 0.07 -0.31 1.43 0.08 0.10 0.00 0.00 175.35 176.72 1cwk s VAL 132 N -3.16 3.21 -0.27 1.79 1.01 0.48 -1.05 120.40 122.42 1cwk s VAL 132 Ca -0.01 0.84 -0.06 0.00 0.00 0.00 0.00 61.98 62.75 1cwk s VAL 132 Cb 0.01 -3.54 -0.15 0.00 0.00 0.00 0.00 36.38 32.70 1cwk s VAL 132 CO -0.07 0.06 -0.29 1.17 0.00 0.00 0.00 175.10 175.97 1cwk n LYS 133 N 4.17 0.62 -3.88 2.72 4.81 0.52 -4.86 118.16 122.26 1cwk n LYS 133 Ca 0.12 0.21 -0.10 0.00 -0.87 0.00 0.00 58.31 57.67 1cwk n LYS 133 Cb 0.42 -1.51 -0.09 0.00 0.02 0.00 0.00 35.03 33.87 1cwk n LYS 133 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1cwk s GLU 134 N -2.51 0.60 0.00 1.64 8.01 -1.16 -4.90 118.70 120.38 1cwk s GLU 134 Ca -0.37 -0.60 0.00 0.00 0.01 0.00 0.00 54.97 54.01 1cwk s GLU 134 Cb 0.12 0.25 0.00 0.00 -4.31 0.00 0.00 34.13 30.19 1cwk s GLU 134 CO 0.55 -0.16 0.00 0.41 0.01 0.00 0.00 175.26 176.07 1cwk n GLY 135 N 0.93 0.79 0.28 -1.39 0.00 -1.26 -1.11 105.19 103.43 1cwk n GLY 135 Ca -0.20 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.42 1cwk n GLY 135 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1cwk h MET 136 N 0.00 0.00 -0.02 1.61 4.05 -1.90 -0.11 114.93 118.57 1cwk h MET 136 Ca 0.00 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 1cwk h MET 136 Cb 0.11 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1cwk h MET 136 CO 0.00 0.01 -0.33 -2.95 0.23 0.00 0.00 176.91 173.87 1cwk h ASN 137 N 0.00 0.03 -0.06 1.39 -1.07 -1.96 -1.29 115.58 112.61 1cwk h ASN 137 Ca -0.00 -0.01 -0.18 0.00 0.07 0.00 0.00 56.30 56.18 1cwk h ASN 137 Cb 0.03 -0.01 -0.00 0.00 -2.07 0.00 0.00 38.32 36.27 1cwk h ASN 137 CO 0.00 0.36 -0.61 0.40 0.07 0.00 0.00 177.43 177.65 1cwk h ILE 138 N 0.03 1.31 -0.65 6.14 1.08 -1.35 -1.98 117.51 122.08 1cwk h ILE 138 Ca 0.00 -1.85 -0.01 0.00 -0.39 0.00 0.00 64.86 62.62 1cwk h ILE 138 Cb 0.60 1.80 -0.03 0.00 -3.07 0.00 0.00 36.82 36.12 1cwk h ILE 138 CO 0.04 0.58 0.38 0.58 -0.69 0.00 0.00 178.15 179.04 1cwk h VAL 139 N 0.50 1.19 -0.91 1.67 2.07 -1.19 -1.49 116.25 118.10 1cwk h VAL 139 Ca -0.00 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1cwk h VAL 139 Cb 1.18 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1cwk h VAL 139 CO 0.12 0.21 0.60 -0.33 0.02 0.00 0.00 177.57 178.18 1cwk h GLU 140 N 0.88 1.16 -0.75 1.57 5.08 -1.21 -2.14 114.58 119.17 1cwk h GLU 140 Ca 0.23 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1cwk h GLU 140 Cb -0.00 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 28.95 1cwk h GLU 140 CO -0.04 0.77 0.39 0.00 -1.00 0.00 0.00 179.01 179.13 1cwk h ALA 141 N 1.35 0.96 -0.89 3.43 0.00 -0.95 -2.79 119.26 120.38 1cwk h ALA 141 Ca 0.34 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1cwk h ALA 141 Cb -0.09 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.35 1cwk h ALA 141 CO -0.09 0.50 0.58 0.52 0.00 0.00 0.00 179.25 180.75 1cwk h MET 142 N 1.04 0.97 -0.31 0.00 2.86 -0.64 -2.58 114.93 116.27 1cwk h MET 142 Ca 0.26 -0.06 0.09 0.00 -2.06 0.00 0.00 59.70 57.93 1cwk h MET 142 Cb 0.07 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1cwk h MET 142 CO -0.04 0.64 0.23 0.93 1.06 0.00 0.00 176.91 179.73 1cwk h GLU 143 N 0.99 0.00 0.00 1.72 5.08 -1.17 -1.86 114.58 119.35 1cwk h GLU 143 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1cwk h GLU 143 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1cwk h GLU 143 CO -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.87 1cwk h ARG 144 N 0.00 0.00 -0.03 2.33 -0.00 -1.53 -2.17 114.38 112.99 1cwk h ARG 144 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.63 1cwk h ARG 144 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.57 1cwk h ARG 144 CO -0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.97 181.16 1cwk n PHE 145 N -2.84 0.01 -2.40 3.04 3.72 -0.70 -4.94 117.46 113.35 1cwk n PHE 145 Ca -0.01 -0.01 -0.03 0.00 -0.05 0.00 0.00 57.45 57.35 1cwk n PHE 145 Cb 0.13 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.68 1cwk n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cwk n GLY 146 N 1.26 0.93 3.62 1.37 0.00 -0.82 -1.03 105.19 110.51 1cwk n GLY 146 Ca 0.17 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 1cwk n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cwk s SER 147 N -1.52 -0.11 0.34 1.61 1.04 -0.89 -4.82 113.70 109.35 1cwk s SER 147 Ca 0.09 -0.89 0.02 0.00 0.48 0.00 0.00 55.95 55.65 1cwk s SER 147 Cb -0.01 0.60 0.61 0.00 0.10 0.00 0.00 66.02 67.32 1cwk s SER 147 CO 0.06 -1.16 1.98 -0.09 0.98 0.00 0.00 173.24 175.00 1cwk h ARG 148 N 2.22 0.89 -0.01 4.02 2.43 -1.91 -0.50 114.38 121.53 1cwk h ARG 148 Ca -0.25 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1cwk h ARG 148 Cb 1.25 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1cwk h ARG 148 CO 0.34 0.59 -0.09 0.27 -1.51 0.00 0.00 179.97 179.57 1cwk n ASN 149 N -4.45 1.01 0.00 -3.80 0.23 -1.26 -4.95 115.26 102.05 1cwk n ASN 149 Ca 0.09 -1.11 0.00 0.00 -0.53 0.00 0.00 54.58 53.03 1cwk n ASN 149 Cb 0.10 0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1cwk n ASN 149 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cwk n GLY 150 N 1.22 3.28 3.77 4.83 0.00 -0.19 -4.97 105.19 113.12 1cwk n GLY 150 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1cwk n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cwk s LYS 151 N -0.82 3.76 0.15 1.61 1.02 -1.26 -1.34 119.74 122.86 1cwk s LYS 151 Ca 0.00 1.95 0.00 0.00 0.02 0.00 0.00 55.97 57.95 1cwk s LYS 151 Cb 0.00 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 1cwk s LYS 151 CO 0.00 -0.60 0.32 0.95 -0.92 0.00 0.00 175.35 175.10 1cwk s THR 152 N -1.41 5.28 -0.26 2.17 -4.23 -1.26 -3.02 115.64 112.90 1cwk s THR 152 Ca 0.62 -0.45 0.23 0.00 -1.18 0.00 0.00 61.69 60.91 1cwk s THR 152 Cb -0.33 -3.71 0.05 0.00 1.34 0.00 0.00 72.50 69.85 1cwk s THR 152 CO 0.41 -0.07 1.13 0.77 -0.54 0.00 0.00 174.62 176.32 1cwk h SER 153 N 2.32 0.00 -3.41 3.99 4.64 -1.41 -3.47 113.55 116.21 1cwk h SER 153 Ca -0.47 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.42 1cwk h SER 153 Cb 1.18 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 1cwk h SER 153 CO 0.70 0.00 -0.69 -0.54 -0.87 0.00 0.00 176.83 175.43 1cwk s LYS 154 N -3.34 1.36 -0.25 4.77 3.01 -1.26 -5.12 119.74 118.91 1cwk s LYS 154 Ca 0.01 -1.66 -0.22 0.00 -1.01 0.00 0.00 55.97 53.09 1cwk s LYS 154 Cb 0.09 -0.91 -0.01 0.00 -1.01 0.00 0.00 37.83 35.98 1cwk s LYS 154 CO 0.77 0.04 0.72 0.21 0.51 0.00 0.00 175.35 177.60 1cwk s LYS 155 N -3.75 4.13 -0.32 1.68 2.47 -1.26 -4.92 119.74 117.76 1cwk s LYS 155 Ca 0.26 0.70 -0.08 0.00 -1.56 0.00 0.00 55.97 55.29 1cwk s LYS 155 Cb 0.03 -3.65 0.02 0.00 -1.46 0.00 0.00 37.83 32.76 1cwk s LYS 155 CO 0.08 -0.47 0.13 0.42 0.16 0.00 0.00 175.35 175.67 1cwk s ILE 156 N 2.66 4.20 0.28 5.43 -1.09 -1.26 -0.76 121.20 130.65 1cwk s ILE 156 Ca 0.30 -0.76 0.09 0.00 -2.23 0.00 0.00 60.65 58.05 1cwk s ILE 156 Cb -0.15 -3.24 -0.05 0.00 -1.58 0.00 0.00 42.46 37.43 1cwk s ILE 156 CO 0.08 -0.04 -0.13 0.42 -1.23 0.00 0.00 174.94 174.04 1cwk s THR 157 N 1.52 2.06 -0.71 2.92 -4.23 -0.32 -0.93 115.64 115.95 1cwk s THR 157 Ca 0.02 -2.25 -0.19 0.00 -1.18 0.00 0.00 61.69 58.09 1cwk s THR 157 Cb -0.18 -2.36 0.12 0.00 1.34 0.00 0.00 72.50 71.43 1cwk s THR 157 CO 0.04 -0.38 0.84 -0.63 -0.54 0.00 0.00 174.62 173.96 1cwk s ILE 158 N -2.75 4.87 0.23 2.99 1.01 -0.24 -0.75 121.20 126.55 1cwk s ILE 158 Ca 0.29 -1.29 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 1cwk s ILE 158 Cb -0.00 -4.58 0.05 0.00 0.01 0.00 0.00 42.46 37.95 1cwk s ILE 158 CO 0.13 -1.24 1.66 0.00 0.00 0.00 0.00 174.94 175.49 1cwk h ALA 159 N 8.93 0.94 -2.82 9.38 0.00 -1.17 0.22 119.26 134.75 1cwk h ALA 159 Ca -0.13 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1cwk h ALA 159 Cb 1.06 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.57 1cwk h ALA 159 CO 1.06 0.62 -0.01 0.34 0.00 0.00 0.00 179.25 181.25 1cwk s ASP 160 N -6.73 -0.27 -0.00 0.00 2.15 -1.19 -4.52 116.67 106.11 1cwk s ASP 160 Ca -0.09 -0.35 -0.28 0.00 0.43 0.00 0.00 52.55 52.25 1cwk s ASP 160 Cb 0.13 0.52 0.10 0.00 -0.30 0.00 0.00 42.92 43.38 1cwk s ASP 160 CO 0.83 -0.93 0.87 0.00 -0.17 0.00 0.00 175.17 175.77 1cwk n GLY 162 N -0.20 -1.26 3.67 0.00 0.00 -1.02 -4.75 105.19 101.63 1cwk n GLY 162 Ca -0.09 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 1cwk n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cwk s GLN 163 N -0.53 3.15 -0.22 1.61 0.74 -1.26 -1.18 119.66 121.96 1cwk s GLN 163 Ca 0.00 -0.40 0.08 0.00 0.05 0.00 0.00 55.36 55.09 1cwk s GLN 163 Cb 0.00 -2.85 -0.21 0.00 1.10 0.00 0.00 33.01 31.05 1cwk s GLN 163 CO 0.00 0.63 -0.05 1.28 -0.55 0.00 0.00 175.29 176.60 1cwk n LEU 164 N 2.38 1.68 0.00 3.68 4.77 0.23 -4.95 117.00 124.78 1cwk n LEU 164 Ca -0.18 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1cwk n LEU 164 Cb 0.53 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1cwk n LEU 164 CO 0.29 0.74 0.00 1.21 -1.33 0.00 0.00 177.39 178.30