#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 -3.52 1.61 7.64 -1.26 -4.98 113.62 113.12 2jwl n SER 20 Ca 0.00 0.36 -0.07 0.00 1.01 0.00 0.00 58.87 60.17 2jwl n SER 20 Cb 0.00 -0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 62.78 2jwl n SER 20 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jwl s VAL 21 N -0.75 -0.69 0.00 0.44 1.01 -1.26 -4.99 120.40 114.15 2jwl s VAL 21 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2jwl s VAL 21 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2jwl s VAL 21 CO 0.00 -0.00 0.00 -2.65 0.00 0.00 0.00 175.10 172.45 2jwl n PRO 22 N 5.39 0.62 -3.76 2.72 -0.02 -1.26 -2.80 135.00 135.89 2jwl n PRO 22 Ca -0.07 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.05 2jwl n PRO 22 Cb 0.50 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.85 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 -0.35 4.21 -0.12 -1.45 1.01 0.17 -3.09 120.40 120.78 2jwl s VAL 23 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.75 2jwl s VAL 23 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 2jwl s VAL 23 CO 0.00 0.32 -0.19 -0.63 0.00 0.00 0.00 175.10 174.60 2jwl s ILE 24 N 1.59 2.53 -0.15 2.22 1.09 -0.24 -2.21 121.20 126.03 2jwl s ILE 24 Ca 0.06 -0.85 0.01 0.00 -1.10 0.00 0.00 60.65 58.77 2jwl s ILE 24 Cb -0.15 -2.02 0.00 0.00 -1.06 0.00 0.00 42.46 39.23 2jwl s ILE 24 CO 0.03 0.54 -0.17 -0.22 -0.10 0.00 0.00 174.94 175.02 2jwl s LEU 25 N 0.37 2.37 -0.12 2.97 0.20 -0.68 -0.21 118.68 123.58 2jwl s LEU 25 Ca -0.15 -0.51 0.01 0.00 0.69 0.00 0.00 54.13 54.17 2jwl s LEU 25 Cb -0.17 -1.53 -0.01 0.00 -0.43 0.00 0.00 46.19 44.05 2jwl s LEU 25 CO 0.07 0.08 -0.16 -1.61 -0.29 0.00 0.00 176.35 174.44 2jwl s GLU 26 N 0.84 3.25 -0.75 1.98 0.41 0.86 -1.84 118.70 123.45 2jwl s GLU 26 Ca -0.05 -0.73 -0.21 0.00 -0.41 0.00 0.00 54.97 53.57 2jwl s GLU 26 Cb -0.15 -2.53 0.10 0.00 -1.78 0.00 0.00 34.13 29.76 2jwl s GLU 26 CO -0.01 0.23 0.99 0.08 -0.49 0.00 0.00 175.26 176.06 2jwl s VAL 27 N 0.28 4.55 -0.12 2.63 1.01 -0.05 -1.29 120.40 127.40 2jwl s VAL 27 Ca -0.12 -0.91 0.28 0.00 0.00 0.00 0.00 61.98 61.23 2jwl s VAL 27 Cb -0.16 -4.70 0.34 0.00 0.00 0.00 0.00 36.38 31.87 2jwl s VAL 27 CO 0.06 -1.43 1.80 0.00 0.00 0.00 0.00 175.10 175.53 2jwl h ALA 28 N 9.24 0.99 -3.00 5.51 0.00 -1.65 -2.65 119.26 127.70 2jwl h ALA 28 Ca -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2jwl h ALA 28 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jwl h ALA 28 CO 1.14 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.85 2jwl n GLY 29 N 0.52 -0.10 3.02 0.00 0.00 -1.19 -4.87 105.19 102.56 2jwl n GLY 29 Ca 0.02 0.56 -0.33 0.00 0.00 0.00 0.00 46.02 46.27 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 2.86 3.32 0.00 -0.61 -1.09 -1.26 -4.63 121.20 119.80 2jwl s ILE 30 Ca 0.00 -3.46 0.00 0.00 -2.23 0.00 0.00 60.65 54.96 2jwl s ILE 30 Cb 0.00 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2jwl s ILE 30 CO 0.00 -0.91 0.00 0.61 -1.23 0.00 0.00 174.94 173.41 2jwl n GLY 31 N 2.91 0.19 3.61 6.18 0.00 -1.26 -5.07 105.19 111.75 2jwl n GLY 31 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.98 3.71 0.05 1.61 3.01 -1.26 -4.26 119.74 121.62 2jwl s LYS 32 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 55.97 54.57 2jwl s LYS 32 Cb 0.00 -3.06 -0.03 0.00 -1.01 0.00 0.00 37.83 33.73 2jwl s LYS 32 CO 0.00 0.36 -0.05 0.71 0.51 0.00 0.00 175.35 176.88 2jwl s TYR 33 N 0.10 0.58 0.01 3.18 2.02 -0.83 -1.71 117.35 120.70 2jwl s TYR 33 Ca 0.03 -0.84 0.06 0.00 -0.37 0.00 0.00 57.07 55.96 2jwl s TYR 33 Cb -0.13 -0.38 -0.02 0.00 -0.40 0.00 0.00 41.96 41.03 2jwl s TYR 33 CO 0.01 -0.24 -0.20 0.00 -1.57 0.00 0.00 175.55 173.56 2jwl s ALA 34 N -2.98 1.66 -0.04 3.71 0.00 -0.41 -1.44 121.76 122.26 2jwl s ALA 34 Ca 0.01 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2jwl s ALA 34 Cb 0.01 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2jwl s ALA 34 CO -0.05 0.39 -0.09 0.96 0.00 0.00 0.00 175.76 176.97 2jwl s ILE 35 N -0.59 0.79 -0.29 0.00 -4.36 0.01 -0.10 121.20 116.66 2jwl s ILE 35 Ca 0.07 -0.33 -0.05 0.00 -0.26 0.00 0.00 60.65 60.08 2jwl s ILE 35 Cb -0.08 -0.72 0.02 0.00 1.25 0.00 0.00 42.46 42.93 2jwl s ILE 35 CO 0.00 0.26 0.04 -0.55 0.24 0.00 0.00 174.94 174.93 2jwl s SER 36 N 0.41 4.92 -0.35 4.36 0.15 0.71 -0.07 113.70 123.83 2jwl s SER 36 Ca -0.07 -0.85 -0.05 0.00 0.70 0.00 0.00 55.95 55.68 2jwl s SER 36 Cb -0.11 -1.81 0.05 0.00 -1.71 0.00 0.00 66.02 62.45 2jwl s SER 36 CO 0.01 -0.20 0.11 -0.63 1.20 0.00 0.00 173.24 173.74 2jwl s ILE 37 N 1.42 3.62 -1.49 6.45 1.01 0.20 -1.08 121.20 131.34 2jwl s ILE 37 Ca 0.01 -1.32 -0.04 0.00 0.00 0.00 0.00 60.65 59.30 2jwl s ILE 37 Cb -0.18 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.20 2jwl s ILE 37 CO 0.00 -0.26 0.42 0.61 0.00 0.00 0.00 174.94 175.71 2jwl n GLY 38 N 4.76 -0.25 0.99 6.18 0.00 -1.12 -1.05 105.19 114.71 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 -1.97 3.10 3.71 -0.02 0.00 -1.26 -4.82 105.19 103.94 2jwl n GLY 39 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 2jwl n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jwl s GLU 40 N -0.34 4.33 -0.16 1.61 2.02 -0.21 -5.06 118.70 120.88 2jwl s GLU 40 Ca 0.00 0.55 -0.06 0.00 0.02 0.00 0.00 54.97 55.49 2jwl s GLU 40 Cb 0.00 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 2jwl s GLU 40 CO 0.00 0.06 0.03 0.50 0.02 0.00 0.00 175.26 175.87 2jwl s ARG 41 N 0.93 3.73 -0.12 1.61 3.00 -1.26 0.60 118.95 127.43 2jwl s ARG 41 Ca 0.28 -0.38 0.03 0.00 -1.00 0.00 0.00 55.73 54.66 2jwl s ARG 41 Cb -0.16 -3.08 0.00 0.00 0.00 0.00 0.00 34.95 31.72 2jwl s ARG 41 CO 0.12 0.36 -0.21 -0.65 0.00 0.00 0.00 175.30 174.92 2jwl s GLN 42 N 0.09 3.11 0.21 5.12 -0.21 0.90 -4.98 119.66 123.90 2jwl s GLN 42 Ca 0.04 -0.83 0.10 0.00 0.02 0.00 0.00 55.36 54.69 2jwl s GLN 42 Cb -0.13 -2.43 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 2jwl s GLN 42 CO 0.01 0.11 -0.16 -2.00 -2.12 0.00 0.00 175.29 171.13 2jwl s GLU 43 N 0.54 1.82 0.00 2.91 2.12 -1.26 -0.81 118.70 124.02 2jwl s GLU 43 Ca -0.13 -1.45 0.00 0.00 0.36 0.00 0.00 54.97 53.76 2jwl s GLU 43 Cb -0.17 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.24 2jwl s GLU 43 CO 0.04 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 2jwl n GLY 44 N -0.04 0.46 3.85 -1.50 0.00 -1.21 -5.03 105.19 101.72 2jwl n GLY 44 Ca -0.10 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 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 4.18 0.63 0.99 1.43 -0.52 -4.91 118.68 120.47 2jwl s LEU 45 Ca 0.00 1.21 -0.01 0.00 -1.03 0.00 0.00 54.13 54.30 2jwl s LEU 45 Cb 0.00 -3.78 0.06 0.00 0.03 0.00 0.00 46.19 42.50 2jwl s LEU 45 CO 0.00 -0.08 0.88 0.42 0.23 0.00 0.00 176.35 177.80 2jwl s THR 46 N -1.77 2.46 0.09 5.49 -4.23 -1.26 -1.97 115.64 114.44 2jwl s THR 46 Ca 0.48 -0.56 -0.17 0.00 -1.18 0.00 0.00 61.69 60.26 2jwl s THR 46 Cb -0.13 -2.90 -0.08 0.00 1.34 0.00 0.00 72.50 70.74 2jwl s THR 46 CO 0.19 0.00 1.47 -0.08 -0.54 0.00 0.00 174.62 175.66 2jwl h GLU 47 N -0.22 0.53 -0.61 3.99 4.81 -1.99 0.56 114.58 121.64 2jwl h GLU 47 Ca -0.41 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 58.55 2jwl h GLU 47 Cb 1.29 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 2jwl h GLU 47 CO 0.51 0.75 0.14 1.49 -0.73 0.00 0.00 179.01 181.17 2jwl h GLU 48 N 0.27 0.96 -0.18 1.92 4.81 -1.96 -2.28 114.58 118.12 2jwl h GLU 48 Ca 0.07 -0.21 -0.19 0.00 -0.13 0.00 0.00 59.36 58.89 2jwl h GLU 48 Cb 0.56 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2jwl h GLU 48 CO 0.03 0.86 -0.65 1.98 -0.73 0.00 0.00 179.01 180.49 2jwl h MET 49 N 0.92 0.69 -0.50 1.92 4.05 -1.93 -2.63 114.93 117.44 2jwl h MET 49 Ca 0.20 -0.49 -0.02 0.00 -0.28 0.00 0.00 59.70 59.10 2jwl h MET 49 Cb 0.33 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 2jwl h MET 49 CO 0.00 1.11 0.21 -0.24 0.23 0.00 0.00 176.91 178.23 2jwl h VAL 50 N 0.50 1.18 0.11 -5.77 3.04 -0.66 -1.78 116.25 112.86 2jwl h VAL 50 Ca -0.02 -0.55 -0.01 0.00 -1.01 0.00 0.00 66.70 65.12 2jwl h VAL 50 Cb 1.25 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2jwl h VAL 50 CO 0.13 0.22 -0.05 0.74 -1.01 0.00 0.00 177.57 177.60 2jwl h THR 51 N 0.71 1.02 -0.38 3.17 2.02 -1.32 -0.67 112.91 117.45 2jwl h THR 51 Ca 0.17 -0.48 0.08 0.00 0.77 0.00 0.00 66.41 66.96 2jwl h THR 51 Cb 0.12 1.32 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 2jwl h THR 51 CO -0.02 0.12 -0.15 -0.61 0.37 0.00 0.00 175.52 175.22 2jwl h GLN 52 N -0.36 -0.08 -0.22 6.66 4.15 -1.10 -0.06 115.11 124.10 2jwl h GLN 52 Ca -0.01 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 2jwl h GLN 52 Cb 0.30 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2jwl h GLN 52 CO 0.02 -0.05 0.04 -0.07 -1.93 0.00 0.00 178.83 176.84 2jwl h LEU 53 N -0.08 0.36 -0.75 -2.39 3.38 -1.32 -1.62 115.31 112.89 2jwl h LEU 53 Ca 0.19 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2jwl h LEU 53 Cb 0.37 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2jwl h LEU 53 CO -0.44 0.53 0.48 0.28 0.09 0.00 0.00 178.44 179.38 2jwl h SER 54 N 0.17 0.78 -0.38 -0.43 0.02 -0.71 -1.17 113.55 111.84 2jwl h SER 54 Ca 0.07 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 2jwl h SER 54 Cb 0.32 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2jwl h SER 54 CO 0.00 0.54 -0.08 0.03 -1.14 0.00 0.00 176.83 176.19 2jwl h ARG 55 N 0.93 0.72 -0.60 3.45 2.47 -0.96 -1.87 114.38 118.52 2jwl h ARG 55 Ca 0.30 -0.27 -0.08 0.00 -1.26 0.00 0.00 59.98 58.68 2jwl h ARG 55 Cb 0.02 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 2jwl h ARG 55 CO -0.11 0.86 0.06 0.37 0.56 0.00 0.00 179.97 181.71 2jwl h GLN 56 N 0.52 1.00 -0.22 0.04 4.15 -0.98 -1.19 115.11 118.43 2jwl h GLN 56 Ca 0.10 -0.27 -0.16 0.00 0.77 0.00 0.00 58.65 59.09 2jwl h GLN 56 Cb 0.58 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2jwl h GLN 56 CO 0.03 0.94 -0.51 0.93 -1.93 0.00 0.00 178.83 178.29 2jwl h GLU 57 N 0.93 0.60 -0.04 1.69 3.07 -1.17 -2.82 114.58 116.85 2jwl h GLU 57 Ca 0.18 -0.36 -0.15 0.00 -0.50 0.00 0.00 59.36 58.53 2jwl h GLU 57 Cb 0.45 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 2jwl h GLU 57 CO 0.02 0.97 -0.64 0.35 -1.40 0.00 0.00 179.01 178.30 2jwl h PHE 58 N 0.47 0.19 0.00 4.33 3.57 -1.13 -1.69 116.94 122.68 2jwl h PHE 58 Ca 0.02 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.36 2jwl h PHE 58 Cb 1.05 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2jwl h PHE 58 CO 0.05 0.74 -0.40 0.22 -2.23 0.00 0.00 178.31 176.69 2jwl h ASP 59 N 0.10 0.00 0.33 0.41 3.58 -1.16 -3.20 116.42 116.48 2jwl h ASP 59 Ca -0.01 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.11 2jwl h ASP 59 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2jwl h ASP 59 CO 0.09 0.40 -1.63 0.50 -2.88 0.00 0.00 179.24 175.73 2jwl h LYS 60 N 0.00 0.33 -4.21 0.28 3.64 -1.40 -3.44 116.57 111.77 2jwl h LYS 60 Ca -0.00 -0.56 -0.57 0.00 -1.27 0.00 0.00 60.65 58.25 2jwl h LYS 60 Cb 1.00 0.21 -0.38 0.00 -0.41 0.00 0.00 32.23 32.65 2jwl h LYS 60 CO 0.05 1.21 -0.79 -0.51 -2.27 0.00 0.00 179.45 177.14 2jwl s ASP 61 N -7.14 3.12 0.02 4.20 1.11 -0.65 -5.01 116.67 112.33 2jwl s ASP 61 Ca -0.12 -0.81 0.27 0.00 0.18 0.00 0.00 52.55 52.07 2jwl s ASP 61 Cb 0.06 -0.99 0.91 0.00 1.07 0.00 0.00 42.92 43.98 2jwl s ASP 61 CO 0.86 -0.20 1.71 0.59 1.18 0.00 0.00 175.17 179.31 2jwl n ASN 62 N 4.82 0.27 -1.43 0.27 4.13 -1.24 -3.68 115.26 118.41 2jwl n ASN 62 Ca -0.12 0.23 0.08 0.00 1.68 0.00 0.00 54.58 56.45 2jwl n ASN 62 Cb 0.47 -0.23 0.34 0.00 -1.54 0.00 0.00 39.78 38.81 2jwl n ASN 62 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2jwl n ASN 63 N -1.59 4.87 -4.64 6.41 5.15 -1.26 -4.98 115.26 119.22 2jwl n ASN 63 Ca 0.06 -2.96 -0.43 0.00 -0.60 0.00 0.00 54.58 50.66 2jwl n ASN 63 Cb 0.35 -0.62 -0.03 0.00 -0.53 0.00 0.00 39.78 38.96 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 -2.77 3.72 0.00 -0.44 -4.23 -1.24 -4.96 115.64 105.72 2jwl s THR 64 Ca 0.49 0.83 -0.30 0.00 -1.18 0.00 0.00 61.69 61.52 2jwl s THR 64 Cb 0.38 -3.68 -0.06 0.00 1.34 0.00 0.00 72.50 70.48 2jwl s THR 64 CO 0.13 -0.24 1.54 -0.22 -0.54 0.00 0.00 174.62 175.29 2jwl s LEU 65 N 4.86 4.33 -0.17 4.79 2.96 -1.26 -4.86 118.68 129.33 2jwl s LEU 65 Ca 0.71 2.25 -0.04 0.00 -0.22 0.00 0.00 54.13 56.82 2jwl s LEU 65 Cb -0.26 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 2jwl s LEU 65 CO 0.28 -0.82 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.11 2jwl s PHE 66 N 2.89 3.05 -0.00 5.38 0.08 -1.26 -0.66 117.98 127.46 2jwl s PHE 66 Ca 0.69 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 57.47 2jwl s PHE 66 Cb -0.34 -2.00 -0.01 0.00 -0.57 0.00 0.00 43.02 40.10 2jwl s PHE 66 CO 0.29 -0.06 -0.05 -0.48 -0.10 0.00 0.00 175.22 174.82 2jwl s LEU 67 N 0.50 2.03 -0.10 -0.37 0.05 -0.94 -5.02 118.68 114.84 2jwl s LEU 67 Ca -0.02 -0.13 0.03 0.00 0.05 0.00 0.00 54.13 54.06 2jwl s LEU 67 Cb -0.14 -0.26 0.01 0.00 -2.05 0.00 0.00 46.19 43.75 2jwl s LEU 67 CO 0.02 0.04 -0.19 -0.69 -0.55 0.00 0.00 176.35 174.98 2jwl s VAL 68 N -0.22 1.75 0.02 1.48 1.01 -1.26 -1.69 120.40 121.49 2jwl s VAL 68 Ca 0.01 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.19 2jwl s VAL 68 Cb -0.03 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2jwl s VAL 68 CO -0.00 0.49 -0.08 -0.83 0.00 0.00 0.00 175.10 174.68 2jwl s GLY 69 N 0.59 0.44 0.23 4.51 0.00 -0.77 -5.02 107.32 107.31 2jwl s GLY 69 Ca -0.14 -0.51 0.11 0.00 0.00 0.00 0.00 44.72 44.18 2jwl s GLY 69 CO 0.05 -0.50 -0.20 -0.32 0.00 0.00 0.00 173.10 172.13 2jwl s GLY 70 N -0.74 1.71 0.67 0.20 0.00 -1.26 -0.87 107.32 107.03 2jwl s GLY 70 Ca -0.01 -1.74 -0.10 0.00 0.00 0.00 0.00 44.72 42.87 2jwl s GLY 70 CO 0.00 -1.81 1.05 0.00 0.00 0.00 0.00 173.10 172.34 2jwl s ALA 71 N -2.32 3.01 0.47 3.20 0.00 -1.00 -4.94 121.76 120.18 2jwl s ALA 71 Ca 0.25 -0.35 0.13 0.00 0.00 0.00 0.00 51.96 51.98 2jwl s ALA 71 Cb -0.05 -2.96 1.09 0.00 0.00 0.00 0.00 23.12 21.20 2jwl s ALA 71 CO 0.11 -0.98 2.08 0.87 0.00 0.00 0.00 175.76 177.85 2jwl h LYS 72 N -0.49 0.26 -0.00 0.00 6.56 -1.97 -1.58 116.57 119.34 2jwl h LYS 72 Ca -0.45 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 2jwl h LYS 72 Cb 1.24 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 2jwl h LYS 72 CO 0.63 0.17 -0.07 0.39 -2.06 0.00 0.00 179.45 178.51 2jwl n GLU 73 N -4.50 0.80 -3.27 3.15 4.71 -1.26 -4.85 120.64 115.42 2jwl n GLU 73 Ca 0.02 -0.23 -0.38 0.00 -0.01 0.00 0.00 57.16 56.55 2jwl n GLU 73 Cb 0.14 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.02 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 -2.36 5.01 0.44 2.62 1.01 -0.60 -5.03 120.40 121.49 2jwl s VAL 74 Ca 0.33 1.11 -0.24 0.00 0.00 0.00 0.00 61.98 63.18 2jwl s VAL 74 Cb 0.20 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 2jwl s VAL 74 CO 0.44 0.41 1.21 -2.16 0.00 0.00 0.00 175.10 175.00 2jwl s PRO 75 N -0.06 3.82 0.39 2.72 0.04 -1.26 -4.85 135.00 135.79 2jwl s PRO 75 Ca 0.29 1.91 0.07 0.00 0.04 0.00 0.00 61.00 63.31 2jwl s PRO 75 Cb -0.17 -2.53 0.79 0.00 0.04 0.00 0.00 34.50 32.62 2jwl s PRO 75 CO 0.15 -0.54 1.99 -0.92 0.04 0.00 0.00 177.00 177.71 2jwl h TYR 76 N 2.27 0.46 -0.45 0.56 3.20 -1.97 -1.76 116.97 119.29 2jwl h TYR 76 Ca -0.49 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.48 2jwl h TYR 76 Cb 1.25 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 2jwl h TYR 76 CO 0.53 0.38 0.32 0.93 -1.64 0.00 0.00 178.16 178.68 2jwl h GLU 77 N 0.47 0.08 -0.01 1.82 4.39 -2.00 -0.07 114.58 119.26 2jwl h GLU 77 Ca 0.12 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.62 2jwl h GLU 77 Cb 0.12 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2jwl h GLU 77 CO -0.01 0.06 -0.85 0.93 -1.16 0.00 0.00 179.01 177.98 2jwl h GLU 78 N 0.09 0.25 -0.71 2.33 3.07 -1.69 -2.49 114.58 115.42 2jwl h GLU 78 Ca 0.21 -0.25 -0.06 0.00 -0.50 0.00 0.00 59.36 58.76 2jwl h GLU 78 Cb 0.73 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.68 2jwl h GLU 78 CO -0.02 0.96 0.20 0.28 -1.40 0.00 0.00 179.01 179.03 2jwl h VAL 79 N 0.15 1.26 -0.20 3.13 2.07 -1.02 -0.62 116.25 121.01 2jwl h VAL 79 Ca -0.04 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2jwl h VAL 79 Cb 1.46 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2jwl h VAL 79 CO 0.13 0.36 0.13 0.40 0.02 0.00 0.00 177.57 178.61 2jwl h ILE 80 N 1.06 1.07 -0.61 4.57 1.08 -1.28 -1.01 117.51 122.38 2jwl h ILE 80 Ca 0.23 -0.15 0.08 0.00 -0.39 0.00 0.00 64.86 64.63 2jwl h ILE 80 Cb 0.32 0.81 -0.07 0.00 -3.07 0.00 0.00 36.82 34.81 2jwl h ILE 80 CO -0.00 0.07 0.26 0.11 -0.69 0.00 0.00 178.15 177.89 2jwl h LYS 81 N 0.26 0.45 -0.08 2.37 1.79 -0.97 0.34 116.57 120.74 2jwl h LYS 81 Ca 0.07 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.52 2jwl h LYS 81 Cb -0.00 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 2jwl h LYS 81 CO -0.01 0.30 0.02 0.00 -1.08 0.00 0.00 179.45 178.68 2jwl h ALA 82 N 1.39 0.08 -0.73 3.86 0.00 -0.65 0.13 119.26 123.35 2jwl h ALA 82 Ca 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2jwl h ALA 82 Cb 0.33 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2jwl h ALA 82 CO -0.27 -0.45 0.44 -0.07 0.00 0.00 0.00 179.25 178.90 2jwl h LEU 83 N 0.06 0.87 -0.77 0.00 3.38 -0.58 -1.61 115.31 116.66 2jwl h LEU 83 Ca 0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2jwl h LEU 83 Cb 0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2jwl h LEU 83 CO -0.04 0.66 0.40 -1.13 0.09 0.00 0.00 178.44 178.43 2jwl h ASN 84 N 1.00 0.98 -0.69 -0.43 -0.73 0.49 -1.91 115.58 114.29 2jwl h ASN 84 Ca 0.26 -0.11 -0.07 0.00 1.87 0.00 0.00 56.30 58.25 2jwl h ASN 84 Cb -0.04 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.27 2jwl h ASN 84 CO -0.05 0.82 0.18 -0.07 -0.37 0.00 0.00 177.43 177.93 2jwl h LEU 85 N 1.07 1.05 -0.65 0.34 3.38 0.17 -1.16 115.31 119.51 2jwl h LEU 85 Ca 0.27 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2jwl h LEU 85 Cb 0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2jwl h LEU 85 CO -0.04 1.00 0.20 -0.07 0.09 0.00 0.00 178.44 179.62 2jwl h LEU 86 N 1.06 0.95 -0.80 1.67 -0.00 -1.09 -2.47 115.31 114.64 2jwl h LEU 86 Ca 0.22 -0.21 -0.05 0.00 -0.00 0.00 0.00 57.88 57.84 2jwl h LEU 86 Cb 0.36 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.73 2jwl h LEU 86 CO 0.00 0.91 0.26 -0.74 -0.00 0.00 0.00 178.44 178.87 2jwl h HIS 87 N 0.95 1.19 -0.98 1.13 2.76 -1.02 0.86 115.15 120.03 2jwl h HIS 87 Ca 0.21 -0.11 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 2jwl h HIS 87 Cb 0.30 -0.35 -0.06 0.00 1.55 0.00 0.00 27.41 28.85 2jwl h HIS 87 CO 0.02 0.92 0.64 1.25 -1.30 0.00 0.00 177.93 179.46 2jwl h LEU 88 N 1.12 1.05 -1.22 0.26 6.46 -0.79 -1.13 115.31 121.05 2jwl h LEU 88 Ca 0.25 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 2jwl h LEU 88 Cb 0.27 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2jwl h LEU 88 CO -0.01 0.70 0.00 0.00 -0.62 0.00 0.00 178.44 178.51 2jwl n ALA 89 N -2.38 2.45 -3.18 1.25 0.00 -0.97 -4.93 120.51 112.76 2jwl n ALA 89 Ca 0.14 -0.58 -0.15 0.00 0.00 0.00 0.00 53.44 52.84 2jwl n ALA 89 Cb 0.12 -0.98 0.06 0.00 0.00 0.00 0.00 19.45 18.65 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 1.04 -0.11 0.09 0.00 0.00 -0.43 -4.92 105.19 100.85 2jwl n GLY 90 Ca 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.90 1.56 -0.43 -0.61 -0.00 0.26 -5.01 119.36 111.23 2jwl n ILE 91 Ca -0.07 -0.81 0.00 0.00 -0.00 0.00 0.00 62.75 61.87 2jwl n ILE 91 Cb 0.57 -0.91 0.00 0.00 -0.00 0.00 0.00 39.64 39.30 2jwl n ILE 91 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84