#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 0.67 -3.24 1.61 7.64 -1.26 -4.99 113.62 114.04 2jwl n SER 20 Ca 0.00 0.24 -0.03 0.00 1.01 0.00 0.00 58.87 60.09 2jwl n SER 20 Cb 0.00 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 62.56 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 -1.57 -0.81 0.65 0.44 1.01 -1.26 -5.10 120.40 113.76 2jwl s VAL 21 Ca -0.08 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 2jwl s VAL 21 Cb 0.01 -0.67 0.10 0.00 0.00 0.00 0.00 36.38 35.83 2jwl s VAL 21 CO 0.12 -0.16 0.23 -2.65 0.00 0.00 0.00 175.10 172.64 2jwl n PRO 22 N 4.95 -0.11 -4.12 2.72 -0.02 -1.26 -3.91 135.00 133.25 2jwl n PRO 22 Ca 0.06 -0.38 -0.35 0.00 -2.02 0.00 0.00 63.50 60.81 2jwl n PRO 22 Cb 0.52 -1.02 -0.14 0.00 -0.02 0.00 0.00 33.50 32.85 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 -1.65 3.47 -0.14 -1.45 1.01 -0.35 -3.53 120.40 117.76 2jwl s VAL 23 Ca 0.18 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2jwl s VAL 23 Cb -0.03 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 2jwl s VAL 23 CO 0.15 0.45 -0.15 -0.63 0.00 0.00 0.00 175.10 174.91 2jwl s ILE 24 N 1.11 2.75 -0.15 2.22 1.09 -0.11 -2.01 121.20 126.10 2jwl s ILE 24 Ca 0.01 -0.75 0.00 0.00 -1.10 0.00 0.00 60.65 58.81 2jwl s ILE 24 Cb -0.15 -2.15 -0.00 0.00 -1.06 0.00 0.00 42.46 39.10 2jwl s ILE 24 CO -0.00 0.52 -0.15 -0.22 -0.10 0.00 0.00 174.94 174.99 2jwl s LEU 25 N 0.59 2.51 -0.11 2.97 0.20 -0.70 0.32 118.68 124.46 2jwl s LEU 25 Ca -0.09 -0.45 0.02 0.00 0.69 0.00 0.00 54.13 54.30 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 0.03 0.10 -0.19 -1.61 -0.29 0.00 0.00 176.35 174.39 2jwl s GLU 26 N 0.74 3.14 -0.74 1.98 8.01 0.13 -1.18 118.70 130.77 2jwl s GLU 26 Ca -0.06 -0.79 -0.21 0.00 0.01 0.00 0.00 54.97 53.92 2jwl s GLU 26 Cb -0.15 -2.44 0.09 0.00 -4.31 0.00 0.00 34.13 27.32 2jwl s GLU 26 CO 0.01 0.23 0.99 0.08 0.01 0.00 0.00 175.26 176.58 2jwl s VAL 27 N 0.26 4.51 -0.16 2.63 1.01 0.26 -0.94 120.40 127.98 2jwl s VAL 27 Ca -0.13 -0.85 0.27 0.00 0.00 0.00 0.00 61.98 61.28 2jwl s VAL 27 Cb -0.16 -4.70 0.34 0.00 0.00 0.00 0.00 36.38 31.86 2jwl s VAL 27 CO 0.07 -1.44 1.78 0.00 0.00 0.00 0.00 175.10 175.51 2jwl h ALA 28 N 9.28 0.99 -3.00 5.51 0.00 -1.66 -2.55 119.26 127.83 2jwl h ALA 28 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.74 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 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.86 2jwl n GLY 29 N 0.59 0.04 3.03 0.00 0.00 -1.19 -4.89 105.19 102.76 2jwl n GLY 29 Ca 0.02 0.53 -0.34 0.00 0.00 0.00 0.00 46.02 46.23 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 2.75 3.27 0.00 -0.61 -1.09 -1.26 -4.62 121.20 119.65 2jwl s ILE 30 Ca 0.00 -3.16 0.00 0.00 -2.23 0.00 0.00 60.65 55.26 2jwl s ILE 30 Cb 0.00 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 2jwl s ILE 30 CO 0.00 -0.86 0.00 0.61 -1.23 0.00 0.00 174.94 173.46 2jwl n GLY 31 N 3.26 0.43 3.59 6.18 0.00 -1.26 -5.06 105.19 112.34 2jwl n GLY 31 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 3.82 0.07 1.61 3.01 -1.26 -4.37 119.74 121.75 2jwl s LYS 32 Ca 0.00 -0.40 0.02 0.00 -1.01 0.00 0.00 55.97 54.57 2jwl s LYS 32 Cb 0.00 -3.09 -0.03 0.00 -1.01 0.00 0.00 37.83 33.70 2jwl s LYS 32 CO 0.00 0.30 -0.07 0.71 0.51 0.00 0.00 175.35 176.80 2jwl s TYR 33 N 0.27 0.77 0.00 3.18 1.51 -0.86 -1.73 117.35 120.49 2jwl s TYR 33 Ca 0.01 -0.76 0.07 0.00 -1.01 0.00 0.00 57.07 55.38 2jwl s TYR 33 Cb -0.13 -0.46 -0.02 0.00 -0.11 0.00 0.00 41.96 41.24 2jwl s TYR 33 CO 0.01 -0.14 -0.21 0.00 -1.11 0.00 0.00 175.55 174.10 2jwl s ALA 34 N -2.77 1.75 -0.04 3.71 0.00 -0.11 -1.58 121.76 122.73 2jwl s ALA 34 Ca 0.03 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.06 2jwl s ALA 34 Cb -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.71 2jwl s ALA 34 CO -0.03 0.42 -0.09 0.96 0.00 0.00 0.00 175.76 177.02 2jwl s ILE 35 N -0.58 0.83 -0.29 0.00 -4.36 0.06 0.19 121.20 117.05 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 0.03 -0.55 0.24 0.00 0.00 174.94 174.93 2jwl s SER 36 N 0.44 4.86 -0.32 4.36 0.15 0.15 -0.07 113.70 123.27 2jwl s SER 36 Ca -0.08 -0.87 -0.04 0.00 0.70 0.00 0.00 55.95 55.67 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 -0.19 0.05 -0.63 1.20 0.00 0.00 173.24 173.68 2jwl s ILE 37 N 1.41 3.35 -1.51 6.45 1.01 0.14 -0.94 121.20 131.11 2jwl s ILE 37 Ca 0.00 -1.30 -0.06 0.00 0.00 0.00 0.00 60.65 59.29 2jwl s ILE 37 Cb -0.18 -2.92 0.05 0.00 0.01 0.00 0.00 42.46 39.42 2jwl s ILE 37 CO -0.00 -0.16 0.54 0.61 0.00 0.00 0.00 174.94 175.93 2jwl n GLY 38 N 4.70 -0.30 1.26 6.18 0.00 -1.23 -1.02 105.19 114.78 2jwl n GLY 38 Ca -0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.82 3.13 3.69 -0.02 0.00 -1.26 -5.03 105.19 103.88 2jwl n GLY 39 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.39 4.31 -0.17 1.61 2.12 -0.19 -5.06 118.70 120.93 2jwl s GLU 40 Ca 0.00 0.65 -0.07 0.00 0.36 0.00 0.00 54.97 55.91 2jwl s GLU 40 Cb 0.00 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 2jwl s GLU 40 CO 0.00 -0.05 0.05 0.50 -0.54 0.00 0.00 175.26 175.22 2jwl s ARG 41 N 1.27 3.86 -0.13 4.30 3.00 -1.26 0.28 118.95 130.26 2jwl s ARG 41 Ca 0.30 -0.35 0.02 0.00 -1.00 0.00 0.00 55.73 54.70 2jwl s ARG 41 Cb -0.16 -3.16 -0.00 0.00 0.00 0.00 0.00 34.95 31.63 2jwl s ARG 41 CO 0.12 0.33 -0.19 -0.65 0.00 0.00 0.00 175.30 174.91 2jwl s GLN 42 N 0.20 3.14 0.20 5.12 -0.21 0.91 -4.98 119.66 124.04 2jwl s GLN 42 Ca 0.04 -0.81 0.10 0.00 0.02 0.00 0.00 55.36 54.71 2jwl s GLN 42 Cb -0.12 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 2jwl s GLN 42 CO 0.01 0.09 -0.16 -2.00 -2.12 0.00 0.00 175.29 171.11 2jwl s GLU 43 N 0.59 1.82 0.00 2.91 2.12 -1.26 -0.76 118.70 124.12 2jwl s GLU 43 Ca -0.11 -1.43 0.00 0.00 0.36 0.00 0.00 54.97 53.80 2jwl s GLU 43 Cb -0.16 -2.00 0.00 0.00 0.26 0.00 0.00 34.13 32.23 2jwl s GLU 43 CO 0.03 0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 2jwl n GLY 44 N 0.03 0.51 3.86 -1.50 0.00 -1.21 -5.03 105.19 101.85 2jwl n GLY 44 Ca -0.11 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 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 4.12 0.69 0.99 1.02 -0.61 -4.92 118.68 119.98 2jwl s LEU 45 Ca 0.00 1.15 0.01 0.00 0.02 0.00 0.00 54.13 55.30 2jwl s LEU 45 Cb 0.00 -3.88 0.12 0.00 0.02 0.00 0.00 46.19 42.45 2jwl s LEU 45 CO 0.00 -0.13 0.96 0.42 0.02 0.00 0.00 176.35 177.61 2jwl s THR 46 N -1.88 2.16 0.04 5.49 -4.23 -1.26 -2.02 115.64 113.93 2jwl s THR 46 Ca 0.50 -0.65 -0.19 0.00 -1.18 0.00 0.00 61.69 60.17 2jwl s THR 46 Cb -0.11 -2.50 -0.16 0.00 1.34 0.00 0.00 72.50 71.07 2jwl s THR 46 CO 0.19 0.00 1.29 -0.33 -0.54 0.00 0.00 174.62 175.23 2jwl h GLU 47 N -0.41 0.43 -0.82 3.99 5.08 -1.99 -0.77 114.58 120.09 2jwl h GLU 47 Ca -0.36 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 57.69 2jwl h GLU 47 Cb 1.27 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 2jwl h GLU 47 CO 0.41 0.88 0.37 1.49 -1.00 0.00 0.00 179.01 181.16 2jwl h GLU 48 N 0.03 1.19 -0.24 2.33 4.81 -1.97 -2.13 114.58 118.60 2jwl h GLU 48 Ca 0.00 -0.19 -0.15 0.00 -0.13 0.00 0.00 59.36 58.90 2jwl h GLU 48 Cb 0.87 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2jwl h GLU 48 CO 0.06 0.93 -0.44 1.98 -0.73 0.00 0.00 179.01 180.81 2jwl h MET 49 N 1.17 0.72 -0.66 1.92 4.05 -1.96 -2.53 114.93 117.65 2jwl h MET 49 Ca 0.28 -0.46 0.02 0.00 -0.28 0.00 0.00 59.70 59.27 2jwl h MET 49 Cb 0.15 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.97 2jwl h MET 49 CO -0.03 1.08 0.44 -0.24 0.23 0.00 0.00 176.91 178.38 2jwl h VAL 50 N 0.44 1.12 0.15 -5.77 3.04 -0.95 -1.71 116.25 112.57 2jwl h VAL 50 Ca 0.01 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 65.41 2jwl h VAL 50 Cb 1.04 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2jwl h VAL 50 CO 0.10 0.15 -0.07 0.74 -1.01 0.00 0.00 177.57 177.48 2jwl h THR 51 N 0.82 0.94 -0.38 3.17 2.02 -1.30 -0.38 112.91 117.79 2jwl h THR 51 Ca 0.26 -0.36 0.08 0.00 0.77 0.00 0.00 66.41 67.15 2jwl h THR 51 Cb 0.02 1.17 -0.08 0.00 -1.74 0.00 0.00 68.15 67.51 2jwl h THR 51 CO -0.07 0.09 -0.19 -0.61 0.37 0.00 0.00 175.52 175.11 2jwl h GLN 52 N -0.37 -0.12 -0.21 6.66 4.15 -0.95 0.20 115.11 124.47 2jwl h GLN 52 Ca -0.02 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 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 0.03 -0.08 0.01 -0.07 -1.93 0.00 0.00 178.83 176.79 2jwl h LEU 53 N -0.13 0.35 -0.78 -2.39 3.38 -1.31 -1.31 115.31 113.12 2jwl h LEU 53 Ca 0.19 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2jwl h LEU 53 Cb 0.42 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2jwl h LEU 53 CO -0.46 0.56 0.51 0.28 0.09 0.00 0.00 178.44 179.41 2jwl h SER 54 N 0.14 0.87 -0.36 -0.43 0.02 -0.61 -1.11 113.55 112.07 2jwl h SER 54 Ca 0.06 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2jwl h SER 54 Cb 0.37 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2jwl h SER 54 CO 0.01 0.62 -0.04 0.03 -1.14 0.00 0.00 176.83 176.30 2jwl h ARG 55 N 1.02 0.66 -0.55 3.45 2.47 -0.55 -1.86 114.38 119.03 2jwl h ARG 55 Ca 0.30 -0.23 -0.08 0.00 -1.26 0.00 0.00 59.98 58.70 2jwl h ARG 55 Cb -0.07 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.18 2jwl h ARG 55 CO -0.08 0.80 0.01 0.37 0.56 0.00 0.00 179.97 181.62 2jwl h GLN 56 N 0.46 0.93 -0.21 0.04 4.15 -0.96 -1.42 115.11 118.10 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 0.52 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2jwl h GLN 56 CO 0.03 0.91 -0.52 0.93 -1.93 0.00 0.00 178.83 178.25 2jwl h GLU 57 N 0.86 0.60 -0.04 1.69 3.07 -1.16 -2.84 114.58 116.75 2jwl h GLU 57 Ca 0.16 -0.36 -0.14 0.00 -0.50 0.00 0.00 59.36 58.52 2jwl h GLU 57 Cb 0.49 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 2jwl h GLU 57 CO 0.02 0.97 -0.63 0.35 -1.40 0.00 0.00 179.01 178.32 2jwl h PHE 58 N 0.47 0.21 0.00 4.33 3.57 -1.13 -1.73 116.94 122.66 2jwl h PHE 58 Ca 0.02 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.35 2jwl h PHE 58 Cb 1.06 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2jwl h PHE 58 CO 0.05 0.75 -0.38 0.22 -2.23 0.00 0.00 178.31 176.71 2jwl h ASP 59 N 0.12 0.00 0.34 0.41 3.58 -1.20 -3.19 116.42 116.48 2jwl h ASP 59 Ca -0.01 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.12 2jwl h ASP 59 Cb 1.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2jwl h ASP 59 CO 0.09 0.38 -1.63 0.50 -2.88 0.00 0.00 179.24 175.71 2jwl h LYS 60 N 0.00 0.32 -4.34 0.28 3.64 -1.40 -3.44 116.57 111.63 2jwl h LYS 60 Ca -0.00 -0.54 -0.57 0.00 -1.27 0.00 0.00 60.65 58.27 2jwl h LYS 60 Cb 0.96 0.20 -0.37 0.00 -0.41 0.00 0.00 32.23 32.61 2jwl h LYS 60 CO 0.05 1.20 -0.80 -0.51 -2.27 0.00 0.00 179.45 177.11 2jwl s ASP 61 N -7.11 2.79 0.21 4.20 1.11 -0.66 -5.01 116.67 112.20 2jwl s ASP 61 Ca -0.12 -0.61 0.24 0.00 0.18 0.00 0.00 52.55 52.24 2jwl s ASP 61 Cb 0.06 -1.01 0.29 0.00 1.07 0.00 0.00 42.92 43.33 2jwl s ASP 61 CO 0.86 -0.14 1.33 0.78 1.18 0.00 0.00 175.17 179.18 2jwl h ASN 62 N 8.09 0.00 -0.56 0.27 4.21 -1.86 -3.33 115.58 122.41 2jwl h ASN 62 Ca -0.28 -0.09 -0.01 0.00 1.21 0.00 0.00 56.30 57.13 2jwl h ASN 62 Cb 1.12 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.31 2jwl h ASN 62 CO 0.44 0.04 0.01 -3.20 -1.29 0.00 0.00 177.43 173.43 2jwl n ASN 63 N -2.47 5.61 -4.63 5.81 5.15 -1.26 -4.96 115.26 118.50 2jwl n ASN 63 Ca 0.03 -2.96 -0.43 0.00 -0.60 0.00 0.00 54.58 50.62 2jwl n ASN 63 Cb 0.49 -0.68 -0.03 0.00 -0.53 0.00 0.00 39.78 39.03 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 -2.79 3.69 0.02 -0.44 -4.23 -1.25 -4.96 115.64 105.67 2jwl s THR 64 Ca 0.54 0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 61.53 2jwl s THR 64 Cb 0.41 -3.68 -0.07 0.00 1.34 0.00 0.00 72.50 70.51 2jwl s THR 64 CO 0.15 -0.26 1.56 -0.22 -0.54 0.00 0.00 174.62 175.31 2jwl s LEU 65 N 5.07 4.34 -0.18 4.79 2.96 -1.26 -4.90 118.68 129.51 2jwl s LEU 65 Ca 0.71 2.29 -0.05 0.00 -0.22 0.00 0.00 54.13 56.87 2jwl s LEU 65 Cb -0.26 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 2jwl s LEU 65 CO 0.29 -0.84 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.11 2jwl s PHE 66 N 2.87 3.05 -0.01 5.38 0.08 -1.26 -1.21 117.98 126.89 2jwl s PHE 66 Ca 0.70 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 57.45 2jwl s PHE 66 Cb -0.35 -2.02 -0.00 0.00 -0.57 0.00 0.00 43.02 40.07 2jwl s PHE 66 CO 0.29 -0.10 -0.08 -0.48 -0.10 0.00 0.00 175.22 174.76 2jwl s LEU 67 N 0.62 1.96 -0.04 -0.37 0.05 -0.85 -5.00 118.68 115.04 2jwl s LEU 67 Ca -0.01 -0.15 0.05 0.00 0.05 0.00 0.00 54.13 54.07 2jwl s LEU 67 Cb -0.14 -0.42 -0.01 0.00 -2.05 0.00 0.00 46.19 43.57 2jwl s LEU 67 CO 0.02 0.09 -0.18 0.54 -0.55 0.00 0.00 176.35 176.27 2jwl s VAL 68 N -0.09 1.46 0.02 1.48 0.11 -1.26 -1.71 120.40 120.41 2jwl s VAL 68 Ca 0.02 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.33 2jwl s VAL 68 Cb -0.04 -1.25 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 2jwl s VAL 68 CO -0.00 0.42 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.30 2jwl s GLY 69 N -0.09 0.38 0.18 6.54 0.00 -0.32 -4.99 107.32 109.03 2jwl s GLY 69 Ca -0.01 -0.55 0.10 0.00 0.00 0.00 0.00 44.72 44.27 2jwl s GLY 69 CO 0.02 -0.57 -0.22 -0.32 0.00 0.00 0.00 173.10 172.01 2jwl s GLY 70 N -1.04 1.60 0.69 0.20 0.00 -1.26 -0.57 107.32 106.93 2jwl s GLY 70 Ca -0.06 -1.59 -0.11 0.00 0.00 0.00 0.00 44.72 42.96 2jwl s GLY 70 CO 0.00 -1.63 1.07 0.00 0.00 0.00 0.00 173.10 172.55 2jwl s ALA 71 N -1.82 2.95 0.46 3.20 0.00 -0.96 -4.93 121.76 120.66 2jwl s ALA 71 Ca 0.19 -0.35 0.12 0.00 0.00 0.00 0.00 51.96 51.92 2jwl s ALA 71 Cb -0.07 -2.99 1.04 0.00 0.00 0.00 0.00 23.12 21.10 2jwl s ALA 71 CO 0.09 -1.06 2.08 0.87 0.00 0.00 0.00 175.76 177.74 2jwl h LYS 72 N -0.58 0.23 -0.00 0.00 6.56 -1.97 -1.88 116.57 118.92 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 1.25 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2jwl h LYS 72 CO 0.63 0.19 -0.10 0.39 -2.06 0.00 0.00 179.45 178.50 2jwl n GLU 73 N -4.47 0.71 -2.99 3.15 4.71 -1.26 -4.87 120.64 115.62 2jwl n GLU 73 Ca -0.00 -0.23 -0.40 0.00 -0.01 0.00 0.00 57.16 56.51 2jwl n GLU 73 Cb 0.11 -1.50 -0.05 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 -2.45 4.66 0.31 2.62 1.01 -0.71 -5.03 120.40 120.81 2jwl s VAL 74 Ca 0.30 1.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.63 2jwl s VAL 74 Cb 0.20 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 2jwl s VAL 74 CO 0.47 0.40 1.16 -2.16 0.00 0.00 0.00 175.10 174.96 2jwl s PRO 75 N -0.28 4.49 0.32 2.72 0.04 -1.26 -4.88 135.00 136.14 2jwl s PRO 75 Ca 0.38 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 63.31 2jwl s PRO 75 Cb -0.21 -3.08 0.51 0.00 0.04 0.00 0.00 34.50 31.76 2jwl s PRO 75 CO 0.24 0.05 1.98 -0.92 0.04 0.00 0.00 177.00 178.38 2jwl h TYR 76 N 3.54 0.95 -0.48 0.56 3.20 -1.96 -1.72 116.97 121.05 2jwl h TYR 76 Ca -0.48 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.52 2jwl h TYR 76 Cb 1.22 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 2jwl h TYR 76 CO 0.58 0.61 0.34 0.93 -1.64 0.00 0.00 178.16 178.97 2jwl h GLU 77 N 1.01 0.16 0.01 1.82 5.08 -2.00 0.37 114.58 121.02 2jwl h GLU 77 Ca 0.27 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.44 2jwl h GLU 77 Cb -0.10 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2jwl h GLU 77 CO -0.06 0.11 -0.86 1.49 -1.00 0.00 0.00 179.01 178.68 2jwl h GLU 78 N 0.16 0.07 -0.64 2.33 4.57 -1.70 -2.42 114.58 116.96 2jwl h GLU 78 Ca 0.23 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.25 2jwl h GLU 78 Cb 0.69 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 2jwl h GLU 78 CO -0.03 0.89 0.10 0.28 -1.18 0.00 0.00 179.01 179.06 2jwl h VAL 79 N 0.04 1.26 -0.42 0.32 2.07 -0.84 -0.58 116.25 118.10 2jwl h VAL 79 Ca -0.02 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 2jwl h VAL 79 Cb 1.51 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2jwl h VAL 79 CO 0.12 0.38 0.26 0.40 0.02 0.00 0.00 177.57 178.75 2jwl h ILE 80 N 0.97 1.13 -0.60 4.57 1.08 -1.23 -1.13 117.51 122.30 2jwl h ILE 80 Ca 0.19 -0.29 0.06 0.00 -0.39 0.00 0.00 64.86 64.43 2jwl h ILE 80 Cb 0.44 0.57 -0.05 0.00 -3.07 0.00 0.00 36.82 34.71 2jwl h ILE 80 CO 0.01 0.13 0.31 0.11 -0.69 0.00 0.00 178.15 178.03 2jwl h LYS 81 N 0.56 0.57 -0.27 2.37 6.56 -1.03 0.13 116.57 125.46 2jwl h LYS 81 Ca 0.15 -0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.72 2jwl h LYS 81 Cb -0.01 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.50 2jwl h LYS 81 CO -0.03 0.38 0.15 0.00 -2.06 0.00 0.00 179.45 177.89 2jwl h ALA 82 N 1.32 0.33 -0.83 3.86 0.00 -0.57 -0.26 119.26 123.12 2jwl h ALA 82 Ca 0.27 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2jwl h ALA 82 Cb 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2jwl h ALA 82 CO -0.18 -0.24 0.55 -0.07 0.00 0.00 0.00 179.25 179.31 2jwl h LEU 83 N 0.31 0.95 -0.72 0.00 3.38 -0.66 -1.76 115.31 116.81 2jwl h LEU 83 Ca 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jwl h LEU 83 Cb 0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2jwl h LEU 83 CO -0.06 0.69 0.44 -1.13 0.09 0.00 0.00 178.44 178.47 2jwl h ASN 84 N 1.12 0.85 -0.67 -0.43 -0.73 0.23 -1.59 115.58 114.36 2jwl h ASN 84 Ca 0.31 -0.05 -0.08 0.00 1.87 0.00 0.00 56.30 58.34 2jwl h ASN 84 Cb -0.12 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.23 2jwl h ASN 84 CO -0.07 0.65 0.11 -0.07 -0.37 0.00 0.00 177.43 177.69 2jwl h LEU 85 N 0.98 1.07 -0.58 0.34 3.38 -0.23 -1.14 115.31 119.12 2jwl h LEU 85 Ca 0.26 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2jwl h LEU 85 Cb -0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2jwl h LEU 85 CO -0.05 1.05 0.16 -0.07 0.09 0.00 0.00 178.44 179.62 2jwl h LEU 86 N 1.04 0.87 -0.71 1.67 -0.00 -1.10 -2.41 115.31 114.67 2jwl h LEU 86 Ca 0.21 -0.22 -0.03 0.00 -0.00 0.00 0.00 57.88 57.83 2jwl h LEU 86 Cb 0.44 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.84 2jwl h LEU 86 CO 0.01 0.86 0.31 -0.74 -0.00 0.00 0.00 178.44 178.89 2jwl h HIS 87 N 0.84 1.05 -0.89 1.13 2.76 -1.05 0.10 115.15 119.09 2jwl h HIS 87 Ca 0.19 -0.07 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 2jwl h HIS 87 Cb 0.32 -0.32 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 2jwl h HIS 87 CO 0.02 0.80 0.58 1.25 -1.30 0.00 0.00 177.93 179.28 2jwl h LEU 88 N 1.00 0.89 -1.43 0.26 5.85 -0.84 -0.68 115.31 120.35 2jwl h LEU 88 Ca 0.24 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2jwl h LEU 88 Cb 0.17 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2jwl h LEU 88 CO -0.02 0.57 0.00 0.00 -0.34 0.00 0.00 178.44 178.65 2jwl n ALA 89 N -2.40 2.44 -3.18 1.25 0.00 -0.94 -4.94 120.51 112.74 2jwl n ALA 89 Ca 0.13 -0.68 -0.15 0.00 0.00 0.00 0.00 53.44 52.74 2jwl n ALA 89 Cb 0.20 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.74 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 1.12 -0.13 0.12 0.00 0.00 -0.26 -4.89 105.19 101.15 2jwl n GLY 90 Ca 0.13 -0.03 -0.16 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 -3.87 1.58 -0.86 -0.61 -0.00 0.31 -5.01 119.36 110.90 2jwl n ILE 91 Ca -0.08 -0.68 0.00 0.00 -0.00 0.00 0.00 62.75 61.98 2jwl n ILE 91 Cb 0.58 -1.28 0.00 0.00 -0.00 0.00 0.00 39.64 38.94 2jwl n ILE 91 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72