#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwl n SER 20 N 0.00 0.00 -3.51 1.61 3.41 -1.26 -4.97 113.62 108.90 2jwl n SER 20 Ca 0.00 0.39 -0.08 0.00 -0.26 0.00 0.00 58.87 58.92 2jwl n SER 20 Cb 0.00 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.46 2jwl n SER 20 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jwl s VAL 21 N -0.81 -0.65 0.10 -3.33 1.01 -1.26 -5.00 120.40 110.46 2jwl s VAL 21 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 2jwl s VAL 21 Cb 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.66 2jwl s VAL 21 CO 0.00 -0.01 0.04 -2.65 0.00 0.00 0.00 175.10 172.48 2jwl n PRO 22 N 5.38 0.37 -3.76 2.72 -0.02 -1.26 -2.89 135.00 135.54 2jwl n PRO 22 Ca -0.06 -0.06 -0.36 0.00 -2.02 0.00 0.00 63.50 60.99 2jwl n PRO 22 Cb 0.50 -0.15 -0.13 0.00 -0.02 0.00 0.00 33.50 33.70 2jwl n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jwl s VAL 23 N -0.56 4.22 -0.13 -1.45 1.01 -0.51 -3.08 120.40 119.90 2jwl s VAL 23 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2jwl s VAL 23 Cb -0.01 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 2jwl s VAL 23 CO 0.02 0.33 -0.16 -0.63 0.00 0.00 0.00 175.10 174.65 2jwl s ILE 24 N 1.60 2.69 -0.15 2.22 1.09 -0.03 -2.10 121.20 126.51 2jwl s ILE 24 Ca 0.06 -0.78 0.00 0.00 -1.10 0.00 0.00 60.65 58.83 2jwl s ILE 24 Cb -0.15 -2.11 -0.00 0.00 -1.06 0.00 0.00 42.46 39.14 2jwl s ILE 24 CO 0.03 0.53 -0.15 -0.22 -0.10 0.00 0.00 174.94 175.03 2jwl s LEU 25 N 0.47 2.49 -0.11 2.97 0.20 -0.67 0.11 118.68 124.15 2jwl s LEU 25 Ca -0.12 -0.46 0.02 0.00 0.69 0.00 0.00 54.13 54.27 2jwl s LEU 25 Cb -0.16 -1.57 -0.01 0.00 -0.43 0.00 0.00 46.19 44.02 2jwl s LEU 25 CO 0.05 0.09 -0.18 -0.70 -0.29 0.00 0.00 176.35 175.32 2jwl s GLU 26 N 0.79 3.17 -0.75 1.98 2.56 0.80 -1.12 118.70 126.13 2jwl s GLU 26 Ca -0.06 -0.78 -0.20 0.00 0.00 0.00 0.00 54.97 53.93 2jwl s GLU 26 Cb -0.15 -2.46 0.11 0.00 2.00 0.00 0.00 34.13 33.63 2jwl s GLU 26 CO 0.00 0.23 0.97 0.08 -0.56 0.00 0.00 175.26 175.97 2jwl s VAL 27 N 0.27 4.63 -0.11 3.70 1.01 0.25 -1.12 120.40 129.04 2jwl s VAL 27 Ca -0.13 -1.04 0.29 0.00 0.00 0.00 0.00 61.98 61.11 2jwl s VAL 27 Cb -0.16 -4.67 0.37 0.00 0.00 0.00 0.00 36.38 31.91 2jwl s VAL 27 CO 0.07 -1.39 1.84 0.00 0.00 0.00 0.00 175.10 175.61 2jwl h ALA 28 N 9.14 1.00 -3.00 5.51 0.00 -1.65 -2.45 119.26 127.82 2jwl h ALA 28 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jwl h ALA 28 Cb 1.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jwl h ALA 28 CO 1.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.79 2jwl n GLY 29 N 0.45 0.10 3.10 0.00 0.00 -1.20 -4.89 105.19 102.75 2jwl n GLY 29 Ca 0.02 0.47 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 2jwl n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jwl s ILE 30 N 2.50 3.89 0.00 -0.61 -1.09 -1.26 -4.59 121.20 120.04 2jwl s ILE 30 Ca 0.00 -3.14 0.00 0.00 -2.23 0.00 0.00 60.65 55.28 2jwl s ILE 30 Cb 0.00 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 2jwl s ILE 30 CO 0.00 -0.92 0.00 0.61 -1.23 0.00 0.00 174.94 173.40 2jwl n GLY 31 N 3.26 0.20 3.61 6.18 0.00 -1.26 -5.07 105.19 112.11 2jwl n GLY 31 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2jwl n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jwl s LYS 32 N -0.97 3.77 0.05 1.61 3.01 -1.26 -4.04 119.74 121.91 2jwl s LYS 32 Ca 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 55.97 54.57 2jwl s LYS 32 Cb 0.00 -3.08 -0.03 0.00 -1.01 0.00 0.00 37.83 33.70 2jwl s LYS 32 CO 0.00 0.33 -0.04 0.71 0.51 0.00 0.00 175.35 176.86 2jwl s TYR 33 N 0.18 0.55 0.01 3.18 1.51 -0.84 -1.70 117.35 120.24 2jwl s TYR 33 Ca 0.02 -0.83 0.07 0.00 -1.01 0.00 0.00 57.07 55.32 2jwl s TYR 33 Cb -0.13 -0.37 -0.02 0.00 -0.11 0.00 0.00 41.96 41.33 2jwl s TYR 33 CO 0.01 -0.25 -0.21 0.00 -1.11 0.00 0.00 175.55 173.99 2jwl s ALA 34 N -2.94 1.76 -0.04 3.71 0.00 -0.27 -1.61 121.76 122.37 2jwl s ALA 34 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.02 2jwl s ALA 34 Cb 0.01 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2jwl s ALA 34 CO -0.05 0.42 -0.09 0.96 0.00 0.00 0.00 175.76 176.99 2jwl s ILE 35 N -0.61 0.83 -0.29 0.00 -4.36 0.04 -0.14 121.20 116.67 2jwl s ILE 35 Ca 0.08 -0.35 -0.05 0.00 -0.26 0.00 0.00 60.65 60.08 2jwl s ILE 35 Cb -0.08 -0.76 0.02 0.00 1.25 0.00 0.00 42.46 42.89 2jwl s ILE 35 CO 0.00 0.27 0.04 -0.55 0.24 0.00 0.00 174.94 174.94 2jwl s SER 36 N 0.44 4.92 -0.36 4.36 0.15 0.12 0.02 113.70 123.35 2jwl s SER 36 Ca -0.08 -0.88 -0.06 0.00 0.70 0.00 0.00 55.95 55.63 2jwl s SER 36 Cb -0.12 -1.80 0.06 0.00 -1.71 0.00 0.00 66.02 62.45 2jwl s SER 36 CO 0.01 -0.20 0.13 -0.63 1.20 0.00 0.00 173.24 173.75 2jwl s ILE 37 N 1.41 3.71 -1.49 6.45 1.01 0.21 -0.85 121.20 131.64 2jwl s ILE 37 Ca 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 60.65 59.30 2jwl s ILE 37 Cb -0.18 -3.18 0.04 0.00 0.01 0.00 0.00 42.46 39.15 2jwl s ILE 37 CO 0.00 -0.28 0.46 0.61 0.00 0.00 0.00 174.94 175.72 2jwl n GLY 38 N 4.78 -0.26 0.99 6.18 0.00 -1.14 -1.06 105.19 114.68 2jwl n GLY 38 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2jwl n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jwl n GLY 39 N -1.92 3.11 3.69 -0.02 0.00 -1.26 -4.82 105.19 103.97 2jwl n GLY 39 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 2jwl n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jwl s GLU 40 N -0.35 4.30 -0.16 1.61 2.12 -0.23 -5.06 118.70 120.93 2jwl s GLU 40 Ca 0.00 0.58 -0.06 0.00 0.36 0.00 0.00 54.97 55.85 2jwl s GLU 40 Cb 0.00 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 2jwl s GLU 40 CO 0.00 -0.02 0.05 0.50 -0.54 0.00 0.00 175.26 175.25 2jwl s ARG 41 N 1.16 3.79 -0.13 4.30 3.00 -1.26 0.64 118.95 130.44 2jwl s ARG 41 Ca 0.29 -0.36 0.02 0.00 -1.00 0.00 0.00 55.73 54.68 2jwl s ARG 41 Cb -0.16 -3.12 0.00 0.00 0.00 0.00 0.00 34.95 31.67 2jwl s ARG 41 CO 0.12 0.36 -0.20 -0.65 0.00 0.00 0.00 175.30 174.93 2jwl s GLN 42 N 0.11 3.11 0.21 5.12 -0.21 0.10 -4.98 119.66 123.13 2jwl s GLN 42 Ca 0.04 -0.82 0.10 0.00 0.02 0.00 0.00 55.36 54.70 2jwl s GLN 42 Cb -0.12 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 2jwl s GLN 42 CO 0.01 0.08 -0.15 -2.00 -2.12 0.00 0.00 175.29 171.11 2jwl s GLU 43 N 0.62 1.85 0.00 2.91 2.12 -1.26 -0.78 118.70 124.16 2jwl s GLU 43 Ca -0.11 -1.45 0.00 0.00 0.36 0.00 0.00 54.97 53.77 2jwl s GLU 43 Cb -0.16 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.23 2jwl s GLU 43 CO 0.03 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.55 2jwl n GLY 44 N -0.12 0.49 3.85 -1.50 0.00 -1.23 -5.03 105.19 101.65 2jwl n GLY 44 Ca -0.10 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 2jwl n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jwl s LEU 45 N 0.00 4.16 0.60 0.99 1.43 -0.63 -4.93 118.68 120.30 2jwl s LEU 45 Ca 0.00 1.22 -0.01 0.00 -1.03 0.00 0.00 54.13 54.31 2jwl s LEU 45 Cb 0.00 -3.83 0.04 0.00 0.03 0.00 0.00 46.19 42.43 2jwl s LEU 45 CO 0.00 -0.11 0.84 0.42 0.23 0.00 0.00 176.35 177.74 2jwl s THR 46 N -1.82 2.55 0.10 5.49 -4.23 -1.26 -1.99 115.64 114.48 2jwl s THR 46 Ca 0.49 -0.57 -0.17 0.00 -1.18 0.00 0.00 61.69 60.27 2jwl s THR 46 Cb -0.12 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 2jwl s THR 46 CO 0.19 0.00 1.55 -0.08 -0.54 0.00 0.00 174.62 175.73 2jwl h GLU 47 N -0.12 0.56 -0.63 3.99 4.81 -1.99 0.19 114.58 121.39 2jwl h GLU 47 Ca -0.42 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 58.57 2jwl h GLU 47 Cb 1.30 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 2jwl h GLU 47 CO 0.53 0.69 0.16 1.49 -0.73 0.00 0.00 179.01 181.15 2jwl h GLU 48 N 0.36 0.99 -0.21 1.92 4.81 -1.95 -2.30 114.58 118.19 2jwl h GLU 48 Ca 0.09 -0.22 -0.19 0.00 -0.13 0.00 0.00 59.36 58.91 2jwl h GLU 48 Cb 0.44 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2jwl h GLU 48 CO 0.02 0.88 -0.64 1.98 -0.73 0.00 0.00 179.01 180.52 2jwl h MET 49 N 0.94 0.76 -0.56 1.92 4.05 -1.92 -2.70 114.93 117.43 2jwl h MET 49 Ca 0.20 -0.53 0.01 0.00 -0.28 0.00 0.00 59.70 59.10 2jwl h MET 49 Cb 0.33 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 2jwl h MET 49 CO -0.00 1.15 0.37 -0.24 0.23 0.00 0.00 176.91 178.42 2jwl h VAL 50 N 0.56 1.13 0.06 -5.77 3.04 -0.38 -1.52 116.25 113.37 2jwl h VAL 50 Ca -0.01 -0.26 -0.00 0.00 -1.01 0.00 0.00 66.70 65.42 2jwl h VAL 50 Cb 1.24 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2jwl h VAL 50 CO 0.13 0.14 -0.03 0.74 -1.01 0.00 0.00 177.57 177.54 2jwl h THR 51 N 0.74 1.09 -0.36 3.17 2.02 -1.31 -0.40 112.91 117.87 2jwl h THR 51 Ca 0.21 -0.50 0.08 0.00 0.77 0.00 0.00 66.41 66.96 2jwl h THR 51 Cb -0.07 1.42 -0.08 0.00 -1.74 0.00 0.00 68.15 67.69 2jwl h THR 51 CO -0.05 0.13 -0.17 -0.61 0.37 0.00 0.00 175.52 175.19 2jwl h GLN 52 N -0.30 -0.11 -0.16 6.66 4.15 -1.07 0.80 115.11 125.08 2jwl h GLN 52 Ca -0.01 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2jwl h GLN 52 Cb 0.27 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2jwl h GLN 52 CO 0.01 -0.07 0.02 -0.07 -1.93 0.00 0.00 178.83 176.79 2jwl h LEU 53 N -0.11 0.26 -0.71 -2.39 3.38 -1.28 -1.30 115.31 113.16 2jwl h LEU 53 Ca 0.18 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2jwl h LEU 53 Cb 0.39 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2jwl h LEU 53 CO -0.43 0.47 0.44 0.28 0.09 0.00 0.00 178.44 179.29 2jwl h SER 54 N 0.03 0.70 -0.38 -0.43 0.02 -0.69 -0.79 113.55 112.01 2jwl h SER 54 Ca 0.05 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2jwl h SER 54 Cb 0.33 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2jwl h SER 54 CO 0.00 0.48 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.07 2jwl h ARG 55 N 0.84 0.68 -0.59 3.45 1.12 -0.80 -2.09 114.38 116.99 2jwl h ARG 55 Ca 0.29 -0.23 -0.08 0.00 -1.11 0.00 0.00 59.98 58.86 2jwl h ARG 55 Cb 0.06 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 29.94 2jwl h ARG 55 CO -0.13 0.79 0.06 0.37 -3.11 0.00 0.00 179.97 177.96 2jwl h GLN 56 N 0.50 0.97 -0.27 0.20 4.15 -0.89 -1.70 115.11 118.07 2jwl h GLN 56 Ca 0.11 -0.26 -0.15 0.00 0.77 0.00 0.00 58.65 59.12 2jwl h GLN 56 Cb 0.49 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 2jwl h GLN 56 CO 0.02 0.92 -0.44 0.93 -1.93 0.00 0.00 178.83 178.33 2jwl h GLU 57 N 0.91 0.68 -0.04 1.69 3.07 -1.09 -2.79 114.58 117.02 2jwl h GLU 57 Ca 0.18 -0.37 -0.14 0.00 -0.50 0.00 0.00 59.36 58.53 2jwl h GLU 57 Cb 0.44 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2jwl h GLU 57 CO 0.02 0.98 -0.61 0.35 -1.40 0.00 0.00 179.01 178.35 2jwl h PHE 58 N 0.55 0.17 0.00 4.33 3.57 -1.19 -1.73 116.94 122.63 2jwl h PHE 58 Ca 0.04 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 2jwl h PHE 58 Cb 0.99 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2jwl h PHE 58 CO 0.05 0.70 -0.48 0.22 -2.23 0.00 0.00 178.31 176.57 2jwl h ASP 59 N 0.10 0.00 0.50 0.41 3.58 -1.24 -3.18 116.42 116.58 2jwl h ASP 59 Ca -0.01 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 2jwl h ASP 59 Cb 1.09 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 2jwl h ASP 59 CO 0.09 0.48 -1.49 0.50 -2.88 0.00 0.00 179.24 175.93 2jwl h LYS 60 N 0.00 0.23 -4.25 0.28 3.64 -1.40 -3.44 116.57 111.64 2jwl h LYS 60 Ca -0.00 -0.39 -0.56 0.00 -1.27 0.00 0.00 60.65 58.43 2jwl h LYS 60 Cb 1.08 0.14 -0.37 0.00 -0.41 0.00 0.00 32.23 32.66 2jwl h LYS 60 CO 0.06 1.09 -0.80 -0.51 -2.27 0.00 0.00 179.45 177.02 2jwl s ASP 61 N -6.94 2.81 0.30 4.20 1.11 -0.66 -5.01 116.67 112.48 2jwl s ASP 61 Ca -0.08 -0.63 0.23 0.00 0.18 0.00 0.00 52.55 52.24 2jwl s ASP 61 Cb 0.07 -0.96 0.15 0.00 1.07 0.00 0.00 42.92 43.25 2jwl s ASP 61 CO 0.85 -0.16 1.28 0.78 1.18 0.00 0.00 175.17 179.10 2jwl h ASN 62 N 8.11 0.00 -0.57 0.27 4.21 -1.85 -3.32 115.58 122.42 2jwl h ASN 62 Ca -0.26 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.24 2jwl h ASN 62 Cb 1.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 2jwl h ASN 62 CO 0.42 0.00 0.00 -3.20 -1.29 0.00 0.00 177.43 173.36 2jwl n ASN 63 N -2.83 5.55 -4.64 5.81 5.15 -1.26 -4.96 115.26 118.07 2jwl n ASN 63 Ca 0.02 -2.89 -0.43 0.00 -0.60 0.00 0.00 54.58 50.68 2jwl n ASN 63 Cb 0.54 -0.67 -0.03 0.00 -0.53 0.00 0.00 39.78 39.10 2jwl n ASN 63 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2jwl s THR 64 N -2.68 3.73 -0.03 -0.44 -4.23 -1.25 -4.95 115.64 105.78 2jwl s THR 64 Ca 0.54 0.85 -0.30 0.00 -1.18 0.00 0.00 61.69 61.60 2jwl s THR 64 Cb 0.40 -3.65 -0.06 0.00 1.34 0.00 0.00 72.50 70.53 2jwl s THR 64 CO 0.16 -0.19 1.68 -0.22 -0.54 0.00 0.00 174.62 175.51 2jwl s LEU 65 N 4.60 4.34 -0.21 4.79 2.96 -1.26 -4.89 118.68 129.00 2jwl s LEU 65 Ca 0.70 2.30 -0.07 0.00 -0.22 0.00 0.00 54.13 56.84 2jwl s LEU 65 Cb -0.27 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 2jwl s LEU 65 CO 0.27 -0.93 0.07 -0.36 -1.32 0.00 0.00 176.35 174.08 2jwl s PHE 66 N 3.90 3.16 -0.01 5.38 0.08 -1.26 -1.42 117.98 127.81 2jwl s PHE 66 Ca 0.75 -0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.67 2jwl s PHE 66 Cb -0.35 -2.15 -0.00 0.00 -0.57 0.00 0.00 43.02 39.94 2jwl s PHE 66 CO 0.31 -0.09 -0.08 -0.48 -0.10 0.00 0.00 175.22 174.78 2jwl s LEU 67 N 0.97 1.96 -0.04 -0.37 0.05 -0.89 -5.02 118.68 115.33 2jwl s LEU 67 Ca 0.04 -0.14 0.04 0.00 0.05 0.00 0.00 54.13 54.12 2jwl s LEU 67 Cb -0.14 -0.41 -0.00 0.00 -2.05 0.00 0.00 46.19 43.58 2jwl s LEU 67 CO 0.03 0.09 -0.17 0.54 -0.55 0.00 0.00 176.35 176.28 2jwl s VAL 68 N -0.10 1.43 0.02 1.48 0.11 -1.26 -1.66 120.40 120.42 2jwl s VAL 68 Ca 0.02 -0.73 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2jwl s VAL 68 Cb -0.04 -1.22 -0.02 0.00 -1.53 0.00 0.00 36.38 33.57 2jwl s VAL 68 CO -0.00 0.41 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.29 2jwl s GLY 69 N -0.03 0.38 0.18 6.54 0.00 -0.27 -4.99 107.32 109.13 2jwl s GLY 69 Ca -0.02 -0.55 0.10 0.00 0.00 0.00 0.00 44.72 44.25 2jwl s GLY 69 CO 0.02 -0.58 -0.22 -0.32 0.00 0.00 0.00 173.10 172.00 2jwl s GLY 70 N -1.08 1.60 0.74 0.20 0.00 -1.26 -0.59 107.32 106.93 2jwl s GLY 70 Ca -0.07 -1.58 -0.12 0.00 0.00 0.00 0.00 44.72 42.95 2jwl s GLY 70 CO 0.00 -1.61 1.12 0.00 0.00 0.00 0.00 173.10 172.60 2jwl s ALA 71 N -1.76 2.77 0.47 3.20 0.00 -0.92 -4.93 121.76 120.59 2jwl s ALA 71 Ca 0.19 -0.40 0.18 0.00 0.00 0.00 0.00 51.96 51.93 2jwl s ALA 71 Cb -0.07 -3.02 1.18 0.00 0.00 0.00 0.00 23.12 21.21 2jwl s ALA 71 CO 0.09 -1.32 2.05 0.87 0.00 0.00 0.00 175.76 177.45 2jwl h LYS 72 N -0.79 0.00 -0.01 0.00 6.56 -1.97 -2.48 116.57 117.88 2jwl h LYS 72 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 2jwl h LYS 72 Cb 1.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 2jwl h LYS 72 CO 0.64 0.13 -0.09 0.39 -2.06 0.00 0.00 179.45 178.45 2jwl n GLU 73 N -4.23 1.00 -3.30 3.15 4.71 -1.26 -4.88 120.64 115.83 2jwl n GLU 73 Ca -0.03 -0.43 -0.38 0.00 -0.01 0.00 0.00 57.16 56.31 2jwl n GLU 73 Cb 0.20 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.08 2jwl n GLU 73 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2jwl s VAL 74 N -2.29 4.96 0.37 2.62 0.11 -0.94 -5.01 120.40 120.22 2jwl s VAL 74 Ca 0.33 1.09 -0.27 0.00 -2.93 0.00 0.00 61.98 60.20 2jwl s VAL 74 Cb 0.20 -3.85 -0.09 0.00 -1.53 0.00 0.00 36.38 31.11 2jwl s VAL 74 CO 0.43 0.46 1.23 -2.16 -3.33 0.00 0.00 175.10 171.73 2jwl s PRO 75 N -0.38 4.17 0.30 1.54 0.04 -1.26 -4.89 135.00 134.52 2jwl s PRO 75 Ca 0.28 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.31 2jwl s PRO 75 Cb -0.17 -2.85 0.45 0.00 0.04 0.00 0.00 34.50 31.97 2jwl s PRO 75 CO 0.15 -0.27 1.97 -0.92 0.04 0.00 0.00 177.00 177.97 2jwl h TYR 76 N 2.96 1.03 -0.48 0.56 3.20 -1.97 -1.75 116.97 120.52 2jwl h TYR 76 Ca -0.49 0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.52 2jwl h TYR 76 Cb 1.23 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2jwl h TYR 76 CO 0.55 0.65 0.34 0.93 -1.64 0.00 0.00 178.16 178.99 2jwl h GLU 77 N 1.11 0.12 0.01 1.82 5.08 -2.00 0.22 114.58 120.93 2jwl h GLU 77 Ca 0.30 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.47 2jwl h GLU 77 Cb -0.12 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2jwl h GLU 77 CO -0.07 0.08 -0.87 1.49 -1.00 0.00 0.00 179.01 178.64 2jwl h GLU 78 N 0.12 0.08 -0.64 2.33 4.57 -1.70 -2.45 114.58 116.89 2jwl h GLU 78 Ca 0.23 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.23 2jwl h GLU 78 Cb 0.74 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 2jwl h GLU 78 CO -0.03 0.90 0.07 0.28 -1.18 0.00 0.00 179.01 179.05 2jwl h VAL 79 N 0.04 1.26 -0.44 0.32 2.07 -0.88 -0.80 116.25 117.82 2jwl h VAL 79 Ca -0.03 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 2jwl h VAL 79 Cb 1.52 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2jwl h VAL 79 CO 0.12 0.40 0.27 0.40 0.02 0.00 0.00 177.57 178.78 2jwl h ILE 80 N 1.00 1.14 -0.59 4.57 1.08 -1.26 -1.26 117.51 122.19 2jwl h ILE 80 Ca 0.19 -0.32 0.06 0.00 -0.39 0.00 0.00 64.86 64.40 2jwl h ILE 80 Cb 0.48 0.55 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 2jwl h ILE 80 CO 0.02 0.14 0.30 0.11 -0.69 0.00 0.00 178.15 178.03 2jwl h LYS 81 N 0.58 0.55 -0.31 2.37 1.79 -1.03 0.12 116.57 120.65 2jwl h LYS 81 Ca 0.16 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.61 2jwl h LYS 81 Cb -0.00 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 2jwl h LYS 81 CO -0.03 0.36 0.17 0.00 -1.08 0.00 0.00 179.45 178.87 2jwl h ALA 82 N 1.32 0.38 -0.81 3.86 0.00 -0.63 -0.24 119.26 123.14 2jwl h ALA 82 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2jwl h ALA 82 Cb 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2jwl h ALA 82 CO -0.19 -0.20 0.52 -0.07 0.00 0.00 0.00 179.25 179.31 2jwl h LEU 83 N 0.35 0.94 -0.68 0.00 3.38 -0.66 -1.85 115.31 116.79 2jwl h LEU 83 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jwl h LEU 83 Cb 0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2jwl h LEU 83 CO -0.07 0.69 0.43 -1.13 0.09 0.00 0.00 178.44 178.45 2jwl h ASN 84 N 1.10 0.80 -0.59 -0.43 -0.73 0.23 -1.61 115.58 114.36 2jwl h ASN 84 Ca 0.30 -0.04 -0.09 0.00 1.87 0.00 0.00 56.30 58.34 2jwl h ASN 84 Cb -0.11 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.26 2jwl h ASN 84 CO -0.06 0.61 0.04 -0.07 -0.37 0.00 0.00 177.43 177.58 2jwl h LEU 85 N 0.93 1.00 -0.59 0.34 3.38 -0.29 -1.15 115.31 118.93 2jwl h LEU 85 Ca 0.25 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2jwl h LEU 85 Cb -0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2jwl h LEU 85 CO -0.05 1.03 0.17 -0.07 0.09 0.00 0.00 178.44 179.61 2jwl h LEU 86 N 0.96 0.87 -0.79 1.67 -0.00 -1.09 -2.28 115.31 114.65 2jwl h LEU 86 Ca 0.18 -0.22 -0.05 0.00 -0.00 0.00 0.00 57.88 57.79 2jwl h LEU 86 Cb 0.49 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.89 2jwl h LEU 86 CO 0.02 0.86 0.28 -0.74 -0.00 0.00 0.00 178.44 178.86 2jwl h HIS 87 N 0.84 1.22 -0.91 1.13 2.76 -1.07 0.13 115.15 119.25 2jwl h HIS 87 Ca 0.19 -0.10 0.04 0.00 -2.20 0.00 0.00 60.37 58.29 2jwl h HIS 87 Cb 0.31 -0.36 -0.05 0.00 1.55 0.00 0.00 27.41 28.85 2jwl h HIS 87 CO 0.02 0.93 0.60 1.25 -1.30 0.00 0.00 177.93 179.43 2jwl h LEU 88 N 1.15 0.98 -1.31 0.26 6.46 -0.80 -1.05 115.31 121.00 2jwl h LEU 88 Ca 0.26 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2jwl h LEU 88 Cb 0.26 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 2jwl h LEU 88 CO -0.02 0.67 0.00 0.00 -0.62 0.00 0.00 178.44 178.47 2jwl n ALA 89 N -2.39 2.45 -3.15 1.25 0.00 -0.89 -4.93 120.51 112.84 2jwl n ALA 89 Ca 0.12 -0.62 -0.15 0.00 0.00 0.00 0.00 53.44 52.79 2jwl n ALA 89 Cb 0.11 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 18.63 2jwl n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jwl n GLY 90 N 1.09 -0.10 0.11 0.00 0.00 -0.40 -4.87 105.19 101.02 2jwl n GLY 90 Ca 0.13 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 2jwl n GLY 90 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jwl n ILE 91 N -3.81 1.58 -1.35 -0.61 -0.00 0.42 -5.00 119.36 110.58 2jwl n ILE 91 Ca -0.08 -0.72 0.00 0.00 -0.00 0.00 0.00 62.75 61.95 2jwl n ILE 91 Cb 0.57 -1.18 0.00 0.00 -0.00 0.00 0.00 39.64 39.03 2jwl n ILE 91 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72