#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 -3.54 1.61 3.41 -1.26 -4.99 113.62 108.85 2jwl n SER 20 Ca 0.00 0.32 -0.09 0.00 -0.26 0.00 0.00 58.87 58.84 2jwl n SER 20 Cb 0.00 -0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 63.47 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 -0.79 -0.63 0.12 -3.33 1.01 -1.26 -5.00 120.40 110.52 2jwl s VAL 21 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 2jwl s VAL 21 Cb 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.69 2jwl s VAL 21 CO 0.00 0.01 0.04 -2.65 0.00 0.00 0.00 175.10 172.50 2jwl n PRO 22 N 5.38 0.42 -3.74 2.72 -0.02 -1.26 -2.84 135.00 135.65 2jwl n PRO 22 Ca -0.07 -0.08 -0.37 0.00 -2.02 0.00 0.00 63.50 60.97 2jwl n PRO 22 Cb 0.50 -0.19 -0.12 0.00 -0.02 0.00 0.00 33.50 33.66 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 -0.60 4.33 -0.13 -1.45 1.01 -0.56 -3.09 120.40 119.91 2jwl s VAL 23 Ca 0.03 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2jwl s VAL 23 Cb -0.01 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 2jwl s VAL 23 CO 0.03 0.30 -0.17 -0.63 0.00 0.00 0.00 175.10 174.64 2jwl s ILE 24 N 1.61 2.68 -0.14 2.22 1.09 -0.00 -2.11 121.20 126.55 2jwl s ILE 24 Ca 0.06 -0.79 0.01 0.00 -1.10 0.00 0.00 60.65 58.83 2jwl s ILE 24 Cb -0.15 -2.10 -0.00 0.00 -1.06 0.00 0.00 42.46 39.14 2jwl s ILE 24 CO 0.04 0.53 -0.16 -0.22 -0.10 0.00 0.00 174.94 175.03 2jwl s LEU 25 N 0.47 2.44 -0.10 2.97 0.20 -0.64 0.19 118.68 124.21 2jwl s LEU 25 Ca -0.12 -0.47 0.03 0.00 0.69 0.00 0.00 54.13 54.27 2jwl s LEU 25 Cb -0.16 -1.54 -0.01 0.00 -0.43 0.00 0.00 46.19 44.05 2jwl s LEU 25 CO 0.05 0.11 -0.21 -1.61 -0.29 0.00 0.00 176.35 174.40 2jwl s GLU 26 N 0.69 3.06 -0.72 1.98 8.01 0.68 -1.06 118.70 131.34 2jwl s GLU 26 Ca -0.08 -0.82 -0.21 0.00 0.01 0.00 0.00 54.97 53.87 2jwl s GLU 26 Cb -0.16 -2.38 0.09 0.00 -4.31 0.00 0.00 34.13 27.38 2jwl s GLU 26 CO 0.02 0.23 0.97 0.08 0.01 0.00 0.00 175.26 176.56 2jwl s VAL 27 N 0.24 4.50 -0.17 2.63 1.01 0.09 -1.16 120.40 127.53 2jwl s VAL 27 Ca -0.14 -0.76 0.26 0.00 0.00 0.00 0.00 61.98 61.35 2jwl s VAL 27 Cb -0.17 -4.68 0.33 0.00 0.00 0.00 0.00 36.38 31.86 2jwl s VAL 27 CO 0.07 -1.42 1.75 0.00 0.00 0.00 0.00 175.10 175.50 2jwl h ALA 28 N 9.33 0.98 -3.00 5.51 0.00 -1.62 -2.66 119.26 127.80 2jwl h ALA 28 Ca -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jwl h ALA 28 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jwl h ALA 28 CO 1.15 0.07 0.00 0.41 0.00 0.00 0.00 179.25 180.89 2jwl n GLY 29 N 0.64 -0.10 3.04 0.00 0.00 -1.19 -4.89 105.19 102.68 2jwl n GLY 29 Ca 0.02 0.56 -0.34 0.00 0.00 0.00 0.00 46.02 46.26 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 2.87 3.33 0.00 -0.61 -1.09 -1.26 -4.62 121.20 119.82 2jwl s ILE 30 Ca 0.00 -3.22 0.00 0.00 -2.23 0.00 0.00 60.65 55.20 2jwl s ILE 30 Cb 0.00 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 2jwl s ILE 30 CO 0.00 -0.87 0.00 0.61 -1.23 0.00 0.00 174.94 173.45 2jwl n GLY 31 N 3.20 0.45 3.58 6.18 0.00 -1.26 -5.06 105.19 112.28 2jwl n GLY 31 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.87 3.76 0.06 1.61 3.01 -1.26 -4.28 119.74 121.77 2jwl s LYS 32 Ca 0.00 -0.42 0.01 0.00 -1.01 0.00 0.00 55.97 54.55 2jwl s LYS 32 Cb 0.00 -3.05 -0.04 0.00 -1.01 0.00 0.00 37.83 33.74 2jwl s LYS 32 CO 0.00 0.30 -0.06 0.71 0.51 0.00 0.00 175.35 176.82 2jwl s TYR 33 N 0.24 0.68 0.01 3.18 1.51 -0.85 -1.60 117.35 120.52 2jwl s TYR 33 Ca 0.01 -0.82 0.07 0.00 -1.01 0.00 0.00 57.07 55.32 2jwl s TYR 33 Cb -0.13 -0.42 -0.02 0.00 -0.11 0.00 0.00 41.96 41.28 2jwl s TYR 33 CO 0.02 -0.20 -0.21 0.00 -1.11 0.00 0.00 175.55 174.05 2jwl s ALA 34 N -2.97 1.73 -0.04 3.71 0.00 -0.31 -1.58 121.76 122.30 2jwl s ALA 34 Ca 0.03 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.05 2jwl s ALA 34 Cb 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.75 2jwl s ALA 34 CO -0.05 0.41 -0.10 0.96 0.00 0.00 0.00 175.76 176.99 2jwl s ILE 35 N -0.63 0.87 -0.29 0.00 -4.36 0.04 -0.23 121.20 116.61 2jwl s ILE 35 Ca 0.08 -0.38 -0.05 0.00 -0.26 0.00 0.00 60.65 60.05 2jwl s ILE 35 Cb -0.08 -0.80 0.02 0.00 1.25 0.00 0.00 42.46 42.86 2jwl s ILE 35 CO 0.00 0.28 0.03 -0.55 0.24 0.00 0.00 174.94 174.95 2jwl s SER 36 N 0.41 4.89 -0.35 4.36 0.15 0.13 0.02 113.70 123.31 2jwl s SER 36 Ca -0.07 -0.90 -0.06 0.00 0.70 0.00 0.00 55.95 55.61 2jwl s SER 36 Cb -0.12 -1.79 0.05 0.00 -1.71 0.00 0.00 66.02 62.45 2jwl s SER 36 CO 0.01 -0.21 0.12 -0.63 1.20 0.00 0.00 173.24 173.74 2jwl s ILE 37 N 1.40 3.69 -1.49 6.45 1.01 0.20 -0.82 121.20 131.63 2jwl s ILE 37 Ca 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 60.65 59.33 2jwl s ILE 37 Cb -0.18 -3.15 0.03 0.00 0.01 0.00 0.00 42.46 39.18 2jwl s ILE 37 CO 0.00 -0.25 0.43 0.61 0.00 0.00 0.00 174.94 175.72 2jwl n GLY 38 N 4.78 -0.25 0.97 6.18 0.00 -1.13 -0.99 105.19 114.75 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 -1.96 3.09 3.70 -0.02 0.00 -1.26 -4.82 105.19 103.92 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 -0.31 4.31 -0.16 1.61 2.12 -0.17 -5.06 118.70 121.04 2jwl s GLU 40 Ca 0.00 0.59 -0.06 0.00 0.36 0.00 0.00 54.97 55.86 2jwl s GLU 40 Cb 0.00 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 2jwl s GLU 40 CO 0.00 -0.01 0.05 0.50 -0.54 0.00 0.00 175.26 175.26 2jwl s ARG 41 N 1.14 3.78 -0.13 4.30 3.00 -1.26 0.60 118.95 130.38 2jwl s ARG 41 Ca 0.29 -0.36 0.02 0.00 -1.00 0.00 0.00 55.73 54.69 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 -0.21 -0.65 0.00 0.00 0.00 175.30 174.93 2jwl s GLN 42 N 0.10 3.11 0.22 5.12 -0.21 0.10 -4.98 119.66 123.12 2jwl s GLN 42 Ca 0.04 -0.83 0.10 0.00 0.02 0.00 0.00 55.36 54.70 2jwl s GLN 42 Cb -0.12 -2.44 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 2jwl s GLN 42 CO 0.01 0.09 -0.15 -2.00 -2.12 0.00 0.00 175.29 171.12 2jwl s GLU 43 N 0.58 1.84 0.00 2.91 2.12 -1.26 -0.78 118.70 124.11 2jwl s GLU 43 Ca -0.12 -1.48 0.00 0.00 0.36 0.00 0.00 54.97 53.73 2jwl s GLU 43 Cb -0.16 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.25 2jwl s GLU 43 CO 0.04 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 2jwl n GLY 44 N -0.16 0.45 3.85 -1.50 0.00 -1.22 -5.03 105.19 101.58 2jwl n GLY 44 Ca -0.09 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 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 4.14 0.64 0.99 1.43 -0.61 -4.92 118.68 120.35 2jwl s LEU 45 Ca 0.00 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2jwl s LEU 45 Cb 0.00 -3.85 0.08 0.00 0.03 0.00 0.00 46.19 42.45 2jwl s LEU 45 CO 0.00 -0.12 0.89 0.42 0.23 0.00 0.00 176.35 177.77 2jwl s THR 46 N -1.85 2.37 0.06 5.49 -4.23 -1.26 -2.01 115.64 114.21 2jwl s THR 46 Ca 0.50 -0.63 -0.19 0.00 -1.18 0.00 0.00 61.69 60.19 2jwl s THR 46 Cb -0.12 -2.75 -0.11 0.00 1.34 0.00 0.00 72.50 70.86 2jwl s THR 46 CO 0.19 0.00 1.42 -0.33 -0.54 0.00 0.00 174.62 175.36 2jwl h GLU 47 N -0.24 0.40 -0.73 3.99 5.08 -1.99 0.12 114.58 121.21 2jwl h GLU 47 Ca -0.39 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 57.76 2jwl h GLU 47 Cb 1.28 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2jwl h GLU 47 CO 0.46 0.69 0.32 1.49 -1.00 0.00 0.00 179.01 180.97 2jwl h GLU 48 N 0.10 1.07 -0.21 2.33 4.81 -1.97 -2.05 114.58 118.66 2jwl h GLU 48 Ca 0.04 -0.17 -0.19 0.00 -0.13 0.00 0.00 59.36 58.92 2jwl h GLU 48 Cb 0.57 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.77 2jwl h GLU 48 CO 0.03 0.85 -0.61 1.98 -0.73 0.00 0.00 179.01 180.52 2jwl h MET 49 N 1.05 0.78 -0.54 1.92 4.05 -1.93 -2.57 114.93 117.70 2jwl h MET 49 Ca 0.25 -0.56 0.00 0.00 -0.28 0.00 0.00 59.70 59.11 2jwl h MET 49 Cb 0.16 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 2jwl h MET 49 CO -0.03 1.19 0.35 -0.24 0.23 0.00 0.00 176.91 178.41 2jwl h VAL 50 N 0.52 1.14 0.10 -5.77 3.04 -0.53 -1.64 116.25 113.11 2jwl h VAL 50 Ca -0.02 -0.27 -0.00 0.00 -1.01 0.00 0.00 66.70 65.39 2jwl h VAL 50 Cb 1.23 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2jwl h VAL 50 CO 0.13 0.14 -0.05 0.74 -1.01 0.00 0.00 177.57 177.52 2jwl h THR 51 N 0.73 1.03 -0.38 3.17 2.02 -1.30 -0.47 112.91 117.71 2jwl h THR 51 Ca 0.20 -0.47 0.08 0.00 0.77 0.00 0.00 66.41 66.99 2jwl h THR 51 Cb -0.07 1.32 -0.08 0.00 -1.74 0.00 0.00 68.15 67.58 2jwl h THR 51 CO -0.04 0.11 -0.18 -0.61 0.37 0.00 0.00 175.52 175.17 2jwl h GLN 52 N -0.35 -0.11 -0.16 6.66 4.15 -0.99 0.11 115.11 124.42 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 0.29 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2jwl h GLN 52 CO 0.02 -0.07 0.03 -0.07 -1.93 0.00 0.00 178.83 176.81 2jwl h LEU 53 N -0.12 0.25 -0.66 -2.39 3.38 -1.30 -1.21 115.31 113.26 2jwl h LEU 53 Ca 0.19 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2jwl h LEU 53 Cb 0.40 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2jwl h LEU 53 CO -0.45 0.44 0.40 0.28 0.09 0.00 0.00 178.44 179.20 2jwl h SER 54 N 0.06 0.65 -0.40 -0.43 0.02 -0.64 -0.85 113.55 111.95 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 0.29 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2jwl h SER 54 CO 0.00 0.44 -0.01 0.03 -1.14 0.00 0.00 176.83 176.15 2jwl h ARG 55 N 0.78 0.72 -0.71 3.45 2.47 -0.73 -1.61 114.38 118.75 2jwl h ARG 55 Ca 0.27 -0.23 -0.07 0.00 -1.26 0.00 0.00 59.98 58.69 2jwl h ARG 55 Cb 0.06 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 2jwl h ARG 55 CO -0.12 0.81 0.17 0.37 0.56 0.00 0.00 179.97 181.76 2jwl h GLN 56 N 0.54 1.13 -0.26 0.04 4.15 -0.87 -0.95 115.11 118.90 2jwl h GLN 56 Ca 0.11 -0.27 -0.15 0.00 0.77 0.00 0.00 58.65 59.11 2jwl h GLN 56 Cb 0.49 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2jwl h GLN 56 CO 0.02 1.00 -0.47 0.93 -1.93 0.00 0.00 178.83 178.38 2jwl h GLU 57 N 1.07 0.67 -0.06 1.69 4.39 -1.10 -2.77 114.58 118.48 2jwl h GLU 57 Ca 0.22 -0.38 -0.14 0.00 0.34 0.00 0.00 59.36 59.41 2jwl h GLU 57 Cb 0.37 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2jwl h GLU 57 CO 0.00 0.99 -0.58 0.35 -1.16 0.00 0.00 179.01 178.62 2jwl h PHE 58 N 0.54 0.22 0.00 4.33 3.57 -1.09 -1.62 116.94 122.89 2jwl h PHE 58 Ca 0.03 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 2jwl h PHE 58 Cb 1.01 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 2jwl h PHE 58 CO 0.05 0.71 -0.43 0.22 -2.23 0.00 0.00 178.31 176.63 2jwl h ASP 59 N 0.13 0.00 0.42 0.41 3.58 -1.10 -3.18 116.42 116.69 2jwl h ASP 59 Ca -0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 2jwl h ASP 59 Cb 1.05 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 2jwl h ASP 59 CO 0.09 0.43 -1.54 0.50 -2.88 0.00 0.00 179.24 175.84 2jwl h LYS 60 N 0.00 0.28 -4.25 0.28 3.64 -1.37 -3.44 116.57 111.71 2jwl h LYS 60 Ca -0.00 -0.48 -0.57 0.00 -1.27 0.00 0.00 60.65 58.33 2jwl h LYS 60 Cb 1.03 0.18 -0.38 0.00 -0.41 0.00 0.00 32.23 32.65 2jwl h LYS 60 CO 0.06 1.16 -0.80 -0.51 -2.27 0.00 0.00 179.45 177.09 2jwl s ASP 61 N -7.05 2.93 0.31 4.20 1.11 -0.62 -5.01 116.67 112.53 2jwl s ASP 61 Ca -0.10 -0.70 0.23 0.00 0.18 0.00 0.00 52.55 52.17 2jwl s ASP 61 Cb 0.07 -0.98 0.21 0.00 1.07 0.00 0.00 42.92 43.29 2jwl s ASP 61 CO 0.86 -0.17 1.35 0.78 1.18 0.00 0.00 175.17 179.17 2jwl h ASN 62 N 8.09 0.00 -0.58 0.27 4.21 -1.85 -3.31 115.58 122.41 2jwl h ASN 62 Ca -0.25 -0.01 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 0.01 0.00 -3.20 -1.29 0.00 0.00 177.43 173.36 2jwl n ASN 63 N -2.82 5.62 -4.65 5.81 5.15 -1.26 -4.96 115.26 118.16 2jwl n ASN 63 Ca 0.02 -2.88 -0.43 0.00 -0.60 0.00 0.00 54.58 50.70 2jwl n ASN 63 Cb 0.53 -0.68 -0.03 0.00 -0.53 0.00 0.00 39.78 39.08 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 -2.67 3.74 -0.02 -0.44 -4.23 -1.25 -4.95 115.64 105.82 2jwl s THR 64 Ca 0.54 0.87 -0.30 0.00 -1.18 0.00 0.00 61.69 61.62 2jwl s THR 64 Cb 0.41 -3.65 -0.06 0.00 1.34 0.00 0.00 72.50 70.53 2jwl s THR 64 CO 0.17 -0.18 1.67 -0.22 -0.54 0.00 0.00 174.62 175.52 2jwl s LEU 65 N 4.49 4.34 -0.22 4.79 2.96 -1.26 -4.89 118.68 128.89 2jwl s LEU 65 Ca 0.70 2.31 -0.08 0.00 -0.22 0.00 0.00 54.13 56.84 2jwl s LEU 65 Cb -0.28 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 2jwl s LEU 65 CO 0.27 -0.92 0.07 -0.36 -1.32 0.00 0.00 176.35 174.09 2jwl s PHE 66 N 3.78 3.16 -0.01 5.38 0.08 -1.26 -1.49 117.98 127.62 2jwl s PHE 66 Ca 0.74 -0.16 0.02 0.00 0.12 0.00 0.00 56.93 57.66 2jwl s PHE 66 Cb -0.35 -2.18 -0.00 0.00 -0.57 0.00 0.00 43.02 39.92 2jwl s PHE 66 CO 0.31 -0.12 -0.08 -0.48 -0.10 0.00 0.00 175.22 174.76 2jwl s LEU 67 N 1.07 1.99 -0.03 -0.37 0.05 -0.89 -5.02 118.68 115.47 2jwl s LEU 67 Ca 0.04 -0.14 0.05 0.00 0.05 0.00 0.00 54.13 54.13 2jwl s LEU 67 Cb -0.14 -0.41 -0.01 0.00 -2.05 0.00 0.00 46.19 43.59 2jwl s LEU 67 CO 0.03 0.09 -0.17 0.54 -0.55 0.00 0.00 176.35 176.29 2jwl s VAL 68 N -0.14 1.40 0.03 1.48 0.11 -1.26 -1.62 120.40 120.39 2jwl s VAL 68 Ca 0.02 -0.72 0.01 0.00 -2.93 0.00 0.00 61.98 58.36 2jwl s VAL 68 Cb -0.03 -1.18 -0.02 0.00 -1.53 0.00 0.00 36.38 33.62 2jwl s VAL 68 CO -0.00 0.40 -0.05 -0.83 -3.33 0.00 0.00 175.10 171.28 2jwl s GLY 69 N -0.17 0.35 0.17 6.54 0.00 -0.23 -4.98 107.32 108.99 2jwl s GLY 69 Ca 0.01 -0.57 0.11 0.00 0.00 0.00 0.00 44.72 44.27 2jwl s GLY 69 CO 0.01 -0.61 -0.23 -0.32 0.00 0.00 0.00 173.10 171.95 2jwl s GLY 70 N -1.19 1.59 0.66 0.20 0.00 -1.26 -0.73 107.32 106.59 2jwl s GLY 70 Ca -0.09 -1.55 -0.10 0.00 0.00 0.00 0.00 44.72 42.98 2jwl s GLY 70 CO -0.00 -1.57 1.04 0.00 0.00 0.00 0.00 173.10 172.57 2jwl s ALA 71 N -1.59 3.02 0.45 3.20 0.00 -1.01 -4.93 121.76 120.91 2jwl s ALA 71 Ca 0.17 -0.38 0.11 0.00 0.00 0.00 0.00 51.96 51.87 2jwl s ALA 71 Cb -0.08 -2.94 1.02 0.00 0.00 0.00 0.00 23.12 21.12 2jwl s ALA 71 CO 0.08 -0.98 2.07 0.87 0.00 0.00 0.00 175.76 177.80 2jwl h LYS 72 N -0.49 0.26 -0.00 0.00 6.56 -1.97 -1.90 116.57 119.02 2jwl h LYS 72 Ca -0.45 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 2jwl h LYS 72 Cb 1.24 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2jwl h LYS 72 CO 0.63 0.21 -0.09 0.39 -2.06 0.00 0.00 179.45 178.53 2jwl n GLU 73 N -4.47 0.73 -3.20 3.15 4.71 -1.26 -4.86 120.64 115.44 2jwl n GLU 73 Ca -0.00 -0.23 -0.39 0.00 -0.01 0.00 0.00 57.16 56.53 2jwl n GLU 73 Cb 0.11 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 28.99 2jwl n GLU 73 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2jwl s VAL 74 N -2.43 4.80 0.38 2.62 1.01 -0.72 -5.02 120.40 121.04 2jwl s VAL 74 Ca 0.30 1.30 -0.26 0.00 0.00 0.00 0.00 61.98 63.32 2jwl s VAL 74 Cb 0.20 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 2jwl s VAL 74 CO 0.46 0.47 1.16 -2.16 0.00 0.00 0.00 175.10 175.03 2jwl s PRO 75 N -0.55 4.18 0.39 2.72 0.04 -1.26 -4.86 135.00 135.65 2jwl s PRO 75 Ca 0.31 1.85 0.06 0.00 0.04 0.00 0.00 61.00 63.26 2jwl s PRO 75 Cb -0.19 -2.78 0.79 0.00 0.04 0.00 0.00 34.50 32.35 2jwl s PRO 75 CO 0.19 -0.21 2.00 -0.92 0.04 0.00 0.00 177.00 178.10 2jwl h TYR 76 N 2.87 0.51 -0.34 0.56 3.20 -1.97 -1.70 116.97 120.10 2jwl h TYR 76 Ca -0.48 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.46 2jwl h TYR 76 Cb 1.23 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 2jwl h TYR 76 CO 0.56 0.38 0.24 0.93 -1.64 0.00 0.00 178.16 178.63 2jwl h GLU 77 N 0.52 0.07 -0.11 1.82 4.39 -2.00 -0.55 114.58 118.72 2jwl h GLU 77 Ca 0.13 -0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.64 2jwl h GLU 77 Cb 0.07 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2jwl h GLU 77 CO -0.02 0.05 -0.71 0.93 -1.16 0.00 0.00 179.01 178.10 2jwl h GLU 78 N 0.08 0.50 -0.70 2.33 4.39 -1.69 -2.32 114.58 117.17 2jwl h GLU 78 Ca 0.16 -0.39 -0.03 0.00 0.34 0.00 0.00 59.36 59.44 2jwl h GLU 78 Cb 0.54 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2jwl h GLU 78 CO -0.01 1.02 0.33 0.28 -1.16 0.00 0.00 179.01 179.46 2jwl h VAL 79 N 0.35 1.23 -0.29 3.13 2.07 -1.12 0.64 116.25 122.27 2jwl h VAL 79 Ca -0.03 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2jwl h VAL 79 Cb 1.29 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2jwl h VAL 79 CO 0.13 0.28 0.18 0.40 0.02 0.00 0.00 177.57 178.58 2jwl h ILE 80 N 0.98 1.09 -0.61 4.57 1.08 -1.28 -0.30 117.51 123.04 2jwl h ILE 80 Ca 0.24 -0.19 0.05 0.00 -0.39 0.00 0.00 64.86 64.57 2jwl h ILE 80 Cb 0.13 0.70 -0.05 0.00 -3.07 0.00 0.00 36.82 34.53 2jwl h ILE 80 CO -0.03 0.09 0.34 0.11 -0.69 0.00 0.00 178.15 177.97 2jwl h LYS 81 N 0.38 0.63 -0.29 2.37 6.56 -0.96 0.13 116.57 125.39 2jwl h LYS 81 Ca 0.10 -0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.67 2jwl h LYS 81 Cb -0.02 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.48 2jwl h LYS 81 CO -0.02 0.42 0.17 0.00 -2.06 0.00 0.00 179.45 177.96 2jwl h ALA 82 N 1.31 0.36 -0.82 3.86 0.00 -0.35 -0.46 119.26 123.15 2jwl h ALA 82 Ca 0.27 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2jwl h ALA 82 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2jwl h ALA 82 CO -0.16 -0.20 0.54 -0.07 0.00 0.00 0.00 179.25 179.37 2jwl h LEU 83 N 0.35 0.95 -0.72 0.00 3.38 -0.51 -1.83 115.31 116.94 2jwl h LEU 83 Ca 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jwl h LEU 83 Cb -0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2jwl h LEU 83 CO -0.05 0.69 0.45 -1.13 0.09 0.00 0.00 178.44 178.50 2jwl h ASN 84 N 1.12 0.84 -0.53 -0.43 -0.73 0.20 -1.55 115.58 114.50 2jwl h ASN 84 Ca 0.30 -0.04 -0.10 0.00 1.87 0.00 0.00 56.30 58.33 2jwl h ASN 84 Cb -0.12 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.24 2jwl h ASN 84 CO -0.06 0.63 -0.03 -0.07 -0.37 0.00 0.00 177.43 177.52 2jwl h LEU 85 N 0.97 0.98 -0.54 0.34 3.38 -0.32 -1.29 115.31 118.83 2jwl h LEU 85 Ca 0.26 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2jwl h LEU 85 Cb -0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2jwl h LEU 85 CO -0.05 1.05 0.12 -0.07 0.09 0.00 0.00 178.44 179.58 2jwl h LEU 86 N 0.90 0.83 -0.80 1.67 -0.00 -1.11 -2.38 115.31 114.44 2jwl h LEU 86 Ca 0.16 -0.24 -0.05 0.00 -0.00 0.00 0.00 57.88 57.75 2jwl h LEU 86 Cb 0.57 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.98 2jwl h LEU 86 CO 0.03 0.86 0.30 -0.74 -0.00 0.00 0.00 178.44 178.89 2jwl h HIS 87 N 0.77 1.22 -0.84 1.13 2.76 -1.09 0.98 115.15 120.07 2jwl h HIS 87 Ca 0.17 -0.10 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 2jwl h HIS 87 Cb 0.36 -0.36 -0.05 0.00 1.55 0.00 0.00 27.41 28.91 2jwl h HIS 87 CO 0.03 0.93 0.55 1.25 -1.30 0.00 0.00 177.93 179.39 2jwl h LEU 88 N 1.16 0.89 -1.48 0.26 6.46 -0.88 -1.13 115.31 120.59 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 0.24 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2jwl h LEU 88 CO -0.02 0.60 0.00 0.00 -0.62 0.00 0.00 178.44 178.40 2jwl n ALA 89 N -2.41 2.44 -3.16 1.25 0.00 -0.93 -4.94 120.51 112.77 2jwl n ALA 89 Ca 0.11 -0.70 -0.15 0.00 0.00 0.00 0.00 53.44 52.70 2jwl n ALA 89 Cb 0.13 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.67 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 1.15 -0.10 0.12 0.00 0.00 -0.43 -4.89 105.19 101.04 2jwl n GLY 90 Ca 0.14 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.82 1.59 -1.19 -0.61 -0.00 0.30 -5.01 119.36 110.62 2jwl n ILE 91 Ca -0.08 -0.70 0.00 0.00 -0.00 0.00 0.00 62.75 61.98 2jwl n ILE 91 Cb 0.57 -1.26 0.00 0.00 -0.00 0.00 0.00 39.64 38.95 2jwl n ILE 91 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72