#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwk h SER 20 N 0.00 -0.25 -3.26 1.61 0.87 -2.01 -3.44 113.55 107.08 2jwk h SER 20 Ca 0.00 -0.27 -0.67 0.00 -1.23 0.00 0.00 61.79 59.61 2jwk h SER 20 Cb 0.00 0.06 -0.33 0.00 -0.44 0.00 0.00 62.40 61.70 2jwk h SER 20 CO 0.00 0.20 -0.85 -0.69 -0.53 0.00 0.00 176.83 174.96 2jwk s VAL 21 N -4.08 2.24 0.00 2.23 1.01 -1.26 -5.01 120.40 115.53 2jwk s VAL 21 Ca -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2jwk s VAL 21 Cb 0.01 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2jwk s VAL 21 CO 0.52 0.54 0.00 -2.65 0.00 0.00 0.00 175.10 173.51 2jwk n PRO 22 N 3.91 0.96 -3.57 2.72 -0.02 -1.26 -1.96 135.00 135.79 2jwk n PRO 22 Ca -0.19 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.87 2jwk n PRO 22 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.89 2jwk n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jwk s VAL 23 N -0.25 4.70 -0.17 -1.45 1.01 0.51 -3.28 120.40 121.46 2jwk s VAL 23 Ca 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 2jwk s VAL 23 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 2jwk s VAL 23 CO 0.00 -0.27 -0.04 -0.63 0.00 0.00 0.00 175.10 174.16 2jwk s ILE 24 N 1.57 3.71 -0.20 2.22 1.09 -0.46 -2.17 121.20 126.97 2jwk s ILE 24 Ca 0.02 -0.41 -0.02 0.00 -1.10 0.00 0.00 60.65 59.15 2jwk s ILE 24 Cb -0.19 -2.64 0.00 0.00 -1.06 0.00 0.00 42.46 38.57 2jwk s ILE 24 CO 0.07 0.47 -0.11 -0.22 -0.10 0.00 0.00 174.94 175.06 2jwk s LEU 25 N 0.67 2.60 -0.17 2.97 0.20 -0.73 0.14 118.68 124.35 2jwk s LEU 25 Ca -0.02 -0.48 -0.04 0.00 0.69 0.00 0.00 54.13 54.28 2jwk s LEU 25 Cb -0.15 -1.63 -0.02 0.00 -0.43 0.00 0.00 46.19 43.96 2jwk s LEU 25 CO 0.02 -0.00 -0.04 -0.70 -0.29 0.00 0.00 176.35 175.34 2jwk s GLU 26 N 1.34 3.58 -0.36 1.98 2.12 0.16 -2.03 118.70 125.49 2jwk s GLU 26 Ca 0.04 -0.56 -0.25 0.00 0.36 0.00 0.00 54.97 54.56 2jwk s GLU 26 Cb -0.14 -2.93 0.01 0.00 0.26 0.00 0.00 34.13 31.34 2jwk s GLU 26 CO -0.06 0.12 0.89 0.08 -0.54 0.00 0.00 175.26 175.75 2jwk s VAL 27 N 0.67 4.63 -0.13 3.70 1.01 0.09 -0.84 120.40 129.53 2jwk s VAL 27 Ca -0.02 1.17 0.20 0.00 0.00 0.00 0.00 61.98 63.33 2jwk s VAL 27 Cb -0.15 -4.30 -0.19 0.00 0.00 0.00 0.00 36.38 31.75 2jwk s VAL 27 CO 0.02 -0.48 0.66 0.00 0.00 0.00 0.00 175.10 175.30 2jwk n ALA 28 N 6.65 2.32 -2.00 5.51 0.00 -0.88 -2.27 120.51 129.85 2jwk n ALA 28 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2jwk n ALA 28 Cb 0.48 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2jwk n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jwk n GLY 29 N 1.34 0.12 3.16 0.00 0.00 -1.21 -4.85 105.19 103.75 2jwk n GLY 29 Ca -0.08 0.47 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 2jwk n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jwk s ILE 30 N 2.51 3.89 0.00 -0.61 -1.09 -1.26 -4.56 121.20 120.09 2jwk s ILE 30 Ca 0.00 -2.19 0.00 0.00 -2.23 0.00 0.00 60.65 56.23 2jwk s ILE 30 Cb 0.00 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2jwk s ILE 30 CO 0.00 -0.79 0.00 0.61 -1.23 0.00 0.00 174.94 173.53 2jwk n GLY 31 N 4.42 1.27 3.62 6.18 0.00 -1.26 -5.03 105.19 114.38 2jwk n GLY 31 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2jwk n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jwk s LYS 32 N -0.37 3.94 0.06 1.61 1.02 -1.26 -4.23 119.74 120.51 2jwk s LYS 32 Ca 0.00 -0.37 0.01 0.00 0.02 0.00 0.00 55.97 55.63 2jwk s LYS 32 Cb 0.00 -3.17 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 2jwk s LYS 32 CO 0.00 0.27 -0.05 0.71 -0.92 0.00 0.00 175.35 175.36 2jwk s TYR 33 N 0.37 0.63 0.00 3.18 1.51 -0.84 -2.07 117.35 120.13 2jwk s TYR 33 Ca 0.02 -0.80 0.06 0.00 -1.01 0.00 0.00 57.07 55.34 2jwk s TYR 33 Cb -0.13 -0.40 -0.02 0.00 -0.11 0.00 0.00 41.96 41.31 2jwk s TYR 33 CO 0.00 -0.21 -0.18 0.00 -1.11 0.00 0.00 175.55 174.05 2jwk s ALA 34 N -2.82 1.54 -0.03 3.71 0.00 -0.02 -1.63 121.76 122.51 2jwk s ALA 34 Ca 0.01 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.14 2jwk s ALA 34 Cb -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2jwk s ALA 34 CO -0.04 0.36 -0.11 0.96 0.00 0.00 0.00 175.76 176.93 2jwk s ILE 35 N -0.55 0.92 -0.27 0.00 -4.36 0.07 0.37 121.20 117.38 2jwk s ILE 35 Ca 0.07 -0.43 -0.04 0.00 -0.26 0.00 0.00 60.65 59.99 2jwk s ILE 35 Cb -0.07 -0.82 0.02 0.00 1.25 0.00 0.00 42.46 42.83 2jwk s ILE 35 CO 0.00 0.29 -0.00 -0.44 0.24 0.00 0.00 174.94 175.03 2jwk s SER 36 N 0.25 4.67 -0.33 4.36 0.01 0.12 0.23 113.70 123.02 2jwk s SER 36 Ca -0.05 -0.82 -0.04 0.00 1.31 0.00 0.00 55.95 56.36 2jwk s SER 36 Cb -0.10 -1.75 0.05 0.00 0.21 0.00 0.00 66.02 64.43 2jwk s SER 36 CO 0.01 -0.16 0.07 -0.63 0.41 0.00 0.00 173.24 172.94 2jwk s ILE 37 N 1.39 3.37 -1.47 1.44 1.01 0.25 -1.35 121.20 125.84 2jwk s ILE 37 Ca 0.01 -1.34 -0.03 0.00 0.00 0.00 0.00 60.65 59.29 2jwk s ILE 37 Cb -0.17 -2.96 0.02 0.00 0.01 0.00 0.00 42.46 39.36 2jwk s ILE 37 CO -0.02 -0.20 0.41 0.61 0.00 0.00 0.00 174.94 175.74 2jwk n GLY 38 N 4.70 -0.24 1.11 6.18 0.00 -0.83 -1.11 105.19 115.01 2jwk n GLY 38 Ca -0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2jwk n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jwk n GLY 39 N -1.99 3.08 3.72 -0.02 0.00 -1.26 -4.67 105.19 104.04 2jwk n GLY 39 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 2jwk n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jwk s GLU 40 N -0.31 4.31 -0.10 1.61 2.56 -0.27 -5.07 118.70 121.43 2jwk s GLU 40 Ca 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 54.97 55.31 2jwk s GLU 40 Cb 0.00 -3.44 -0.03 0.00 2.00 0.00 0.00 34.13 32.66 2jwk s GLU 40 CO 0.00 0.16 -0.02 0.50 -0.56 0.00 0.00 175.26 175.34 2jwk s ARG 41 N 0.64 3.16 -0.12 4.30 3.00 -1.26 0.85 118.95 129.51 2jwk s ARG 41 Ca 0.24 -0.46 0.03 0.00 -1.00 0.00 0.00 55.73 54.53 2jwk s ARG 41 Cb -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 34.95 32.01 2jwk s ARG 41 CO 0.09 0.56 -0.21 -0.65 0.00 0.00 0.00 175.30 175.08 2jwk s GLN 42 N -0.49 3.09 0.22 5.12 -0.21 0.14 -4.97 119.66 122.56 2jwk s GLN 42 Ca 0.08 -0.84 0.10 0.00 0.02 0.00 0.00 55.36 54.73 2jwk s GLN 42 Cb -0.12 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.43 2jwk s GLN 42 CO 0.02 0.09 -0.15 -2.00 -2.12 0.00 0.00 175.29 171.13 2jwk s GLU 43 N 0.57 1.84 0.00 2.91 2.12 -1.26 -0.75 118.70 124.13 2jwk s GLU 43 Ca -0.12 -1.48 0.00 0.00 0.36 0.00 0.00 54.97 53.73 2jwk s GLU 43 Cb -0.17 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.25 2jwk s GLU 43 CO 0.04 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 2jwk n GLY 44 N -0.17 0.43 3.85 -1.50 0.00 -1.21 -5.02 105.19 101.57 2jwk n GLY 44 Ca -0.09 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 2jwk n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jwk s LEU 45 N 0.00 4.14 0.60 0.99 1.43 -0.64 -4.91 118.68 120.28 2jwk s LEU 45 Ca 0.00 1.19 -0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2jwk s LEU 45 Cb 0.00 -3.87 0.05 0.00 0.03 0.00 0.00 46.19 42.40 2jwk s LEU 45 CO 0.00 -0.13 0.85 0.42 0.23 0.00 0.00 176.35 177.72 2jwk s THR 46 N -1.86 2.52 0.11 5.49 -4.23 -1.26 -1.99 115.64 114.42 2jwk s THR 46 Ca 0.50 -0.58 -0.16 0.00 -1.18 0.00 0.00 61.69 60.27 2jwk s THR 46 Cb -0.11 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 2jwk s THR 46 CO 0.19 0.00 1.55 1.05 -0.54 0.00 0.00 174.62 176.86 2jwk h GLU 47 N -0.14 0.62 -0.71 3.99 4.11 -1.99 0.45 114.58 120.91 2jwk h GLU 47 Ca -0.42 -0.21 -0.06 0.00 0.07 0.00 0.00 59.36 58.75 2jwk h GLU 47 Cb 1.30 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2jwk h GLU 47 CO 0.52 0.75 0.23 0.93 0.07 0.00 0.00 179.01 181.50 2jwk h GLU 48 N 0.43 1.10 -0.25 1.06 5.08 -1.96 -2.01 114.58 118.02 2jwk h GLU 48 Ca 0.10 -0.23 -0.17 0.00 -1.00 0.00 0.00 59.36 58.06 2jwk h GLU 48 Cb 0.48 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2jwk h GLU 48 CO 0.02 0.93 -0.52 1.98 -1.00 0.00 0.00 179.01 180.43 2jwk h MET 49 N 1.06 0.80 -0.38 2.33 4.05 -1.93 -2.48 114.93 118.37 2jwk h MET 49 Ca 0.23 -0.52 -0.02 0.00 -0.28 0.00 0.00 59.70 59.11 2jwk h MET 49 Cb 0.29 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 2jwk h MET 49 CO -0.01 1.15 0.15 -0.24 0.23 0.00 0.00 176.91 178.18 2jwk h VAL 50 N 0.55 1.15 -0.00 -5.77 3.04 -0.75 -2.10 116.25 112.37 2jwk h VAL 50 Ca 0.01 -0.47 -0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2jwk h VAL 50 Cb 1.13 0.70 -0.00 0.00 -2.01 0.00 0.00 31.29 31.11 2jwk h VAL 50 CO 0.11 0.18 0.00 0.74 -1.01 0.00 0.00 177.57 177.60 2jwk h THR 51 N 0.54 1.15 -0.36 3.17 2.02 -1.25 -0.58 112.91 117.60 2jwk h THR 51 Ca 0.13 -0.45 0.08 0.00 0.77 0.00 0.00 66.41 66.94 2jwk h THR 51 Cb 0.12 1.45 -0.08 0.00 -1.74 0.00 0.00 68.15 67.90 2jwk h THR 51 CO -0.01 0.12 -0.20 -0.61 0.37 0.00 0.00 175.52 175.19 2jwk h GLN 52 N -0.18 -0.13 -0.16 6.66 4.15 -0.96 0.16 115.11 124.64 2jwk h GLN 52 Ca 0.00 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2jwk h GLN 52 Cb 0.19 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2jwk h GLN 52 CO -0.00 -0.09 0.03 -0.07 -1.93 0.00 0.00 178.83 176.77 2jwk h LEU 53 N -0.14 0.25 -0.67 -2.39 3.38 -1.36 -1.13 115.31 113.25 2jwk h LEU 53 Ca 0.18 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2jwk h LEU 53 Cb 0.42 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2jwk h LEU 53 CO -0.45 0.44 0.40 -1.28 0.09 0.00 0.00 178.44 177.64 2jwk h SER 54 N 0.05 0.62 -0.34 -0.43 0.87 -0.64 -0.52 113.55 113.15 2jwk h SER 54 Ca 0.05 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 2jwk h SER 54 Cb 0.29 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2jwk h SER 54 CO 0.00 0.41 0.02 0.03 -0.53 0.00 0.00 176.83 176.77 2jwk h ARG 55 N 0.75 0.59 -0.76 2.24 2.47 -0.63 -1.53 114.38 117.51 2jwk h ARG 55 Ca 0.29 -0.18 -0.06 0.00 -1.26 0.00 0.00 59.98 58.77 2jwk h ARG 55 Cb 0.11 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.34 2jwk h ARG 55 CO -0.15 0.69 0.25 0.37 0.56 0.00 0.00 179.97 181.70 2jwk h GLN 56 N 0.40 1.17 -0.29 0.04 4.15 -0.83 -1.08 115.11 118.67 2jwk h GLN 56 Ca 0.10 -0.24 -0.16 0.00 0.77 0.00 0.00 58.65 59.12 2jwk h GLN 56 Cb 0.42 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2jwk h GLN 56 CO 0.01 0.98 -0.47 1.49 -1.93 0.00 0.00 178.83 178.92 2jwk h GLU 57 N 1.12 0.76 -0.03 1.69 4.81 -1.02 -2.25 114.58 119.67 2jwk h GLU 57 Ca 0.25 -0.43 -0.11 0.00 -0.13 0.00 0.00 59.36 58.93 2jwk h GLU 57 Cb 0.29 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2jwk h GLU 57 CO -0.01 1.06 -0.51 0.35 -0.73 0.00 0.00 179.01 179.16 2jwk h PHE 58 N 0.60 0.09 0.00 0.92 3.57 -1.06 0.19 116.94 121.24 2jwk h PHE 58 Ca 0.03 -0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 2jwk h PHE 58 Cb 1.03 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 2jwk h PHE 58 CO 0.06 0.57 -0.70 0.22 -2.23 0.00 0.00 178.31 176.23 2jwk h ASP 59 N 0.06 0.00 0.43 0.41 3.58 -1.10 -3.11 116.42 116.69 2jwk h ASP 59 Ca -0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 2jwk h ASP 59 Cb 0.93 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 2jwk h ASP 59 CO 0.07 0.70 -1.56 0.50 -2.88 0.00 0.00 179.24 176.07 2jwk h LYS 60 N 0.00 0.25 -3.71 0.28 3.64 -1.26 -3.42 116.57 112.33 2jwk h LYS 60 Ca -0.01 -0.42 -0.59 0.00 -1.27 0.00 0.00 60.65 58.37 2jwk h LYS 60 Cb 1.46 0.16 -0.40 0.00 -0.41 0.00 0.00 32.23 33.04 2jwk h LYS 60 CO 0.09 1.10 -0.76 -0.51 -2.27 0.00 0.00 179.45 177.11 2jwk s ASP 61 N -6.96 3.99 0.00 4.20 1.01 0.04 -4.99 116.67 113.95 2jwk s ASP 61 Ca -0.10 -1.58 0.22 0.00 0.71 0.00 0.00 52.55 51.80 2jwk s ASP 61 Cb 0.07 -0.93 1.30 0.00 1.01 0.00 0.00 42.92 44.36 2jwk s ASP 61 CO 0.85 -0.39 1.73 0.59 0.21 0.00 0.00 175.17 178.16 2jwk n ASN 62 N 4.80 0.00 -0.30 0.27 4.13 -1.18 -3.11 115.26 119.87 2jwk n ASN 62 Ca -0.03 -0.96 0.08 0.00 1.68 0.00 0.00 54.58 55.35 2jwk n ASN 62 Cb 0.43 0.00 0.15 0.00 -1.54 0.00 0.00 39.78 38.82 2jwk n ASN 62 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2jwk n ASN 63 N -0.91 2.73 -4.63 6.41 6.94 -1.26 -5.02 115.26 119.51 2jwk n ASN 63 Ca 0.16 -2.89 -0.43 0.00 -0.02 0.00 0.00 54.58 51.41 2jwk n ASN 63 Cb 0.07 -0.40 -0.03 0.00 -2.36 0.00 0.00 39.78 37.07 2jwk n ASN 63 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2jwk s THR 64 N -2.55 3.62 0.09 5.53 -4.23 -1.18 -4.96 115.64 111.97 2jwk s THR 64 Ca 0.30 0.71 -0.31 0.00 -1.18 0.00 0.00 61.69 61.21 2jwk s THR 64 Cb 0.25 -3.62 -0.09 0.00 1.34 0.00 0.00 72.50 70.39 2jwk s THR 64 CO 0.05 -0.24 1.63 -0.22 -0.54 0.00 0.00 174.62 175.30 2jwk s LEU 65 N 5.21 4.37 -0.14 4.79 2.96 -1.26 -4.84 118.68 129.77 2jwk s LEU 65 Ca 0.74 2.51 -0.01 0.00 -0.22 0.00 0.00 54.13 57.15 2jwk s LEU 65 Cb -0.27 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.84 2jwk s LEU 65 CO 0.30 -0.87 -0.12 -0.36 -1.32 0.00 0.00 176.35 173.98 2jwk s PHE 66 N 2.27 2.84 0.00 5.38 0.08 -1.26 -0.36 117.98 126.94 2jwk s PHE 66 Ca 0.73 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 57.18 2jwk s PHE 66 Cb -0.41 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.17 2jwk s PHE 66 CO 0.32 -0.21 -0.06 -0.48 -0.10 0.00 0.00 175.22 174.69 2jwk s LEU 67 N 0.40 2.04 -0.11 -0.37 0.05 -0.92 -5.02 118.68 114.75 2jwk s LEU 67 Ca -0.09 -0.15 0.03 0.00 0.05 0.00 0.00 54.13 53.96 2jwk s LEU 67 Cb -0.16 -0.30 0.01 0.00 -2.05 0.00 0.00 46.19 43.69 2jwk s LEU 67 CO 0.05 0.05 -0.19 -0.69 -0.55 0.00 0.00 176.35 175.01 2jwk s VAL 68 N -0.26 1.78 0.02 1.48 1.01 -1.26 -1.78 120.40 121.39 2jwk s VAL 68 Ca 0.01 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2jwk s VAL 68 Cb -0.03 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 2jwk s VAL 68 CO -0.00 0.50 -0.06 -0.83 0.00 0.00 0.00 175.10 174.71 2jwk s GLY 69 N 0.69 0.35 0.19 4.51 0.00 -0.86 -5.02 107.32 107.18 2jwk s GLY 69 Ca -0.12 -0.50 0.10 0.00 0.00 0.00 0.00 44.72 44.20 2jwk s GLY 69 CO 0.02 -0.52 -0.21 -0.32 0.00 0.00 0.00 173.10 172.07 2jwk s GLY 70 N -0.96 1.60 0.85 0.20 0.00 -1.26 -0.73 107.32 107.01 2jwk s GLY 70 Ca -0.06 -1.62 -0.12 0.00 0.00 0.00 0.00 44.72 42.93 2jwk s GLY 70 CO 0.00 -1.66 1.12 0.00 0.00 0.00 0.00 173.10 172.56 2jwk s ALA 71 N -2.00 2.11 0.40 3.20 0.00 -0.96 -4.90 121.76 119.60 2jwk s ALA 71 Ca 0.20 -0.40 0.08 0.00 0.00 0.00 0.00 51.96 51.84 2jwk s ALA 71 Cb -0.06 -3.05 0.85 0.00 0.00 0.00 0.00 23.12 20.85 2jwk s ALA 71 CO 0.09 -1.94 2.01 0.87 0.00 0.00 0.00 175.76 176.79 2jwk h LYS 72 N -1.25 0.58 -0.00 0.00 6.56 -1.98 -0.54 116.57 119.95 2jwk h LYS 72 Ca -0.48 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.07 2jwk h LYS 72 Cb 1.30 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 2jwk h LYS 72 CO 0.61 0.38 -0.01 0.39 -2.06 0.00 0.00 179.45 178.77 2jwk n GLU 73 N -4.47 0.40 -2.98 3.15 1.02 -1.26 -4.80 120.64 111.70 2jwk n GLU 73 Ca 0.07 -0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.80 2jwk n GLU 73 Cb 0.18 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 2jwk n GLU 73 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jwk s VAL 74 N -2.60 4.80 0.52 2.62 1.01 -0.21 -5.01 120.40 121.53 2jwk s VAL 74 Ca 0.27 1.61 -0.18 0.00 0.00 0.00 0.00 61.98 63.69 2jwk s VAL 74 Cb 0.20 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 2jwk s VAL 74 CO 0.47 0.33 1.01 -2.16 0.00 0.00 0.00 175.10 174.76 2jwk s PRO 75 N 0.17 3.76 0.28 2.72 0.04 -1.26 -4.82 135.00 135.87 2jwk s PRO 75 Ca 0.39 1.14 -0.02 0.00 0.04 0.00 0.00 61.00 62.56 2jwk s PRO 75 Cb -0.20 -2.10 0.39 0.00 0.04 0.00 0.00 34.50 32.63 2jwk s PRO 75 CO 0.22 -0.44 1.83 -0.92 0.04 0.00 0.00 177.00 177.73 2jwk h TYR 76 N 1.04 0.89 -0.76 0.56 3.20 -1.97 -2.08 116.97 117.84 2jwk h TYR 76 Ca -0.48 -0.08 0.11 0.00 3.14 0.00 0.00 58.73 61.42 2jwk h TYR 76 Cb 1.20 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 39.16 2jwk h TYR 76 CO 0.60 0.73 0.50 0.93 -1.64 0.00 0.00 178.16 179.28 2jwk h GLU 77 N 0.84 0.61 -0.12 1.82 5.08 -2.00 0.03 114.58 120.84 2jwk h GLU 77 Ca 0.19 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.34 2jwk h GLU 77 Cb 0.27 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2jwk h GLU 77 CO -0.01 0.41 -0.64 1.49 -1.00 0.00 0.00 179.01 179.26 2jwk h GLU 78 N 0.63 0.43 -0.74 2.33 4.57 -1.77 -2.45 114.58 117.58 2jwk h GLU 78 Ca 0.36 -0.31 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 2jwk h GLU 78 Cb 0.54 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 2jwk h GLU 78 CO -0.13 0.93 0.32 0.28 -1.18 0.00 0.00 179.01 179.22 2jwk h VAL 79 N 0.31 1.24 -0.24 0.32 2.07 -0.74 -1.73 116.25 117.48 2jwk h VAL 79 Ca -0.01 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2jwk h VAL 79 Cb 1.19 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2jwk h VAL 79 CO 0.11 0.31 0.16 0.40 0.02 0.00 0.00 177.57 178.56 2jwk h ILE 80 N 1.07 1.08 -0.69 4.57 1.08 -1.01 -1.98 117.51 121.62 2jwk h ILE 80 Ca 0.25 -0.16 0.09 0.00 -0.39 0.00 0.00 64.86 64.66 2jwk h ILE 80 Cb 0.17 0.74 -0.07 0.00 -3.07 0.00 0.00 36.82 34.59 2jwk h ILE 80 CO -0.03 0.07 0.33 0.11 -0.69 0.00 0.00 178.15 177.95 2jwk h LYS 81 N 0.32 0.54 -0.12 2.37 1.57 -0.96 0.16 116.57 120.45 2jwk h LYS 81 Ca 0.09 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2jwk h LYS 81 Cb -0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2jwk h LYS 81 CO -0.02 0.36 0.04 0.00 -0.57 0.00 0.00 179.45 179.26 2jwk h ALA 82 N 1.43 0.13 -0.67 3.86 0.00 -0.90 0.15 119.26 123.26 2jwk h ALA 82 Ca 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2jwk h ALA 82 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2jwk h ALA 82 CO -0.28 -0.41 0.41 -0.07 0.00 0.00 0.00 179.25 178.90 2jwk h LEU 83 N 0.10 0.80 -0.79 0.00 3.38 -0.69 -1.72 115.31 116.40 2jwk h LEU 83 Ca 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2jwk h LEU 83 Cb 0.03 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2jwk h LEU 83 CO -0.05 0.61 0.46 -1.13 0.09 0.00 0.00 178.44 178.43 2jwk h ASN 84 N 0.93 0.95 -0.61 -0.43 -0.73 0.18 -1.61 115.58 114.25 2jwk h ASN 84 Ca 0.24 -0.07 -0.08 0.00 1.87 0.00 0.00 56.30 58.26 2jwk h ASN 84 Cb -0.04 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.28 2jwk h ASN 84 CO -0.05 0.75 0.08 -0.07 -0.37 0.00 0.00 177.43 177.77 2jwk h LEU 85 N 1.08 1.01 -0.60 0.34 3.38 -0.12 -1.24 115.31 119.16 2jwk h LEU 85 Ca 0.28 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2jwk h LEU 85 Cb -0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2jwk h LEU 85 CO -0.05 1.01 0.24 -0.07 0.09 0.00 0.00 178.44 179.66 2jwk h LEU 86 N 0.98 0.82 -0.64 1.67 -0.00 -1.03 -2.43 115.31 114.67 2jwk h LEU 86 Ca 0.19 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.88 57.86 2jwk h LEU 86 Cb 0.45 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.87 2jwk h LEU 86 CO 0.02 0.76 0.23 -0.74 -0.00 0.00 0.00 178.44 178.71 2jwk h HIS 87 N 0.83 1.01 -0.89 1.13 2.76 -1.01 0.18 115.15 119.16 2jwk h HIS 87 Ca 0.20 -0.09 0.05 0.00 -2.20 0.00 0.00 60.37 58.33 2jwk h HIS 87 Cb 0.20 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 28.81 2jwk h HIS 87 CO 0.01 0.81 0.58 1.25 -1.30 0.00 0.00 177.93 179.28 2jwk h LEU 88 N 0.92 0.93 -1.62 0.26 5.85 -0.90 -1.22 115.31 119.53 2jwk h LEU 88 Ca 0.21 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2jwk h LEU 88 Cb 0.25 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2jwk h LEU 88 CO -0.01 0.62 0.00 0.00 -0.34 0.00 0.00 178.44 178.71 2jwk n ALA 89 N -2.40 2.52 -3.44 1.25 0.00 -0.94 -4.93 120.51 112.56 2jwk n ALA 89 Ca 0.12 -0.76 -0.19 0.00 0.00 0.00 0.00 53.44 52.61 2jwk n ALA 89 Cb 0.14 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 18.69 2jwk n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jwk n GLY 90 N 1.08 -0.38 0.10 0.00 0.00 -0.46 -4.88 105.19 100.65 2jwk n GLY 90 Ca 0.14 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 2jwk n GLY 90 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jwk n ILE 91 N -4.43 1.26 -1.75 -0.61 5.41 0.59 -5.01 119.36 114.81 2jwk n ILE 91 Ca -0.12 -0.59 0.00 0.00 1.00 0.00 0.00 62.75 63.04 2jwk n ILE 91 Cb 0.60 -0.99 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 2jwk n ILE 91 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84