#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwk s SER 20 N 0.00 4.97 0.16 1.61 0.01 -1.26 -4.95 113.70 114.24 2jwk s SER 20 Ca 0.00 1.39 -0.21 0.00 1.31 0.00 0.00 55.95 58.44 2jwk s SER 20 Cb 0.00 -2.19 -0.13 0.00 0.21 0.00 0.00 66.02 63.91 2jwk s SER 20 CO 0.00 -1.67 0.38 0.52 0.41 0.00 0.00 173.24 172.88 2jwk n VAL 21 N -3.25 1.47 -0.10 3.43 0.31 -1.26 -4.69 118.33 114.24 2jwk n VAL 21 Ca 0.07 -0.38 -0.02 0.00 -0.01 0.00 0.00 64.34 64.01 2jwk n VAL 21 Cb 0.55 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.50 2jwk n VAL 21 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2jwk n PRO 22 N 0.76 0.54 -3.67 5.55 -0.02 -1.26 -1.48 135.00 135.43 2jwk n PRO 22 Ca 0.13 -0.08 -0.39 0.00 -2.02 0.00 0.00 63.50 61.14 2jwk n PRO 22 Cb 0.19 -0.22 -0.12 0.00 -0.02 0.00 0.00 33.50 33.33 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 -0.62 4.22 -0.19 -1.45 1.01 -0.52 -2.76 120.40 120.10 2jwk s VAL 23 Ca 0.04 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 2jwk s VAL 23 Cb -0.01 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2jwk s VAL 23 CO 0.03 -0.21 0.00 -0.63 0.00 0.00 0.00 175.10 174.30 2jwk s ILE 24 N 1.49 4.10 -0.20 2.22 1.09 0.17 -2.15 121.20 127.92 2jwk s ILE 24 Ca 0.00 -0.27 -0.02 0.00 -1.10 0.00 0.00 60.65 59.26 2jwk s ILE 24 Cb -0.19 -2.84 0.00 0.00 -1.06 0.00 0.00 42.46 38.37 2jwk s ILE 24 CO 0.05 0.44 -0.10 -0.22 -0.10 0.00 0.00 174.94 175.02 2jwk s LEU 25 N 0.76 2.64 -0.18 2.97 0.20 -0.75 0.50 118.68 124.83 2jwk s LEU 25 Ca 0.00 -0.47 -0.04 0.00 0.69 0.00 0.00 54.13 54.32 2jwk s LEU 25 Cb -0.14 -1.65 -0.02 0.00 -0.43 0.00 0.00 46.19 43.95 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 -0.48 1.98 2.56 0.14 -1.73 118.70 126.09 2jwk s GLU 26 Ca 0.04 -0.56 -0.25 0.00 0.00 0.00 0.00 54.97 54.20 2jwk s GLU 26 Cb -0.14 -2.94 0.03 0.00 2.00 0.00 0.00 34.13 33.08 2jwk s GLU 26 CO -0.06 0.11 0.93 0.08 -0.56 0.00 0.00 175.26 175.76 2jwk s VAL 27 N 0.71 4.45 -0.19 3.70 1.01 -0.03 -0.93 120.40 129.12 2jwk s VAL 27 Ca -0.02 0.68 0.20 0.00 0.00 0.00 0.00 61.98 62.84 2jwk s VAL 27 Cb -0.14 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.73 2jwk s VAL 27 CO 0.02 -0.89 0.96 0.00 0.00 0.00 0.00 175.10 175.20 2jwk h ALA 28 N 9.13 0.57 -3.00 5.51 0.00 -1.76 -2.62 119.26 127.09 2jwk h ALA 28 Ca -0.24 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2jwk h ALA 28 Cb 1.07 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jwk h ALA 28 CO 1.04 0.40 0.00 0.41 0.00 0.00 0.00 179.25 181.10 2jwk n GLY 29 N 1.27 -0.13 3.12 0.00 0.00 -1.21 -4.85 105.19 103.40 2jwk n GLY 29 Ca -0.04 0.56 -0.36 0.00 0.00 0.00 0.00 46.02 46.18 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 2.87 3.28 0.00 -0.61 -1.09 -1.26 -4.60 121.20 119.80 2jwk s ILE 30 Ca 0.00 -2.04 0.00 0.00 -2.23 0.00 0.00 60.65 56.38 2jwk s ILE 30 Cb 0.00 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 2jwk s ILE 30 CO 0.00 -0.68 0.00 0.61 -1.23 0.00 0.00 174.94 173.64 2jwk n GLY 31 N 4.60 1.54 3.58 6.18 0.00 -1.26 -5.02 105.19 114.80 2jwk n GLY 31 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.23 3.73 0.05 1.61 3.01 -1.26 -4.12 119.74 122.52 2jwk s LYS 32 Ca 0.00 -0.43 -0.01 0.00 -1.01 0.00 0.00 55.97 54.52 2jwk s LYS 32 Cb 0.00 -3.03 -0.04 0.00 -1.01 0.00 0.00 37.83 33.75 2jwk s LYS 32 CO 0.00 0.31 -0.03 0.71 0.51 0.00 0.00 175.35 176.85 2jwk s TYR 33 N 0.22 0.49 0.01 3.18 1.51 -0.86 -2.16 117.35 119.73 2jwk s TYR 33 Ca 0.01 -0.95 0.07 0.00 -1.01 0.00 0.00 57.07 55.18 2jwk s TYR 33 Cb -0.13 -0.36 -0.02 0.00 -0.11 0.00 0.00 41.96 41.34 2jwk s TYR 33 CO 0.02 -0.33 -0.21 0.00 -1.11 0.00 0.00 175.55 173.91 2jwk s ALA 34 N -3.41 1.79 -0.04 3.71 0.00 -0.11 -1.57 121.76 122.13 2jwk s ALA 34 Ca 0.03 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.02 2jwk s ALA 34 Cb 0.04 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2jwk s ALA 34 CO -0.08 0.42 -0.10 0.96 0.00 0.00 0.00 175.76 176.97 2jwk s ILE 35 N -0.62 0.87 -0.27 0.00 -4.36 0.42 0.23 121.20 117.47 2jwk s ILE 35 Ca 0.08 -0.38 -0.04 0.00 -0.26 0.00 0.00 60.65 60.05 2jwk s ILE 35 Cb -0.08 -0.79 0.02 0.00 1.25 0.00 0.00 42.46 42.86 2jwk s ILE 35 CO 0.00 0.28 0.00 -0.55 0.24 0.00 0.00 174.94 174.91 2jwk s SER 36 N 0.35 4.68 -0.33 4.36 0.15 0.18 0.43 113.70 123.51 2jwk s SER 36 Ca -0.06 -0.79 -0.04 0.00 0.70 0.00 0.00 55.95 55.75 2jwk s SER 36 Cb -0.11 -1.76 0.05 0.00 -1.71 0.00 0.00 66.02 62.49 2jwk s SER 36 CO 0.01 -0.15 0.08 -0.63 1.20 0.00 0.00 173.24 173.75 2jwk s ILE 37 N 1.40 3.41 -1.51 6.45 1.01 0.22 -0.66 121.20 131.53 2jwk s ILE 37 Ca 0.01 -1.36 -0.05 0.00 0.00 0.00 0.00 60.65 59.25 2jwk s ILE 37 Cb -0.17 -3.00 0.04 0.00 0.01 0.00 0.00 42.46 39.35 2jwk s ILE 37 CO -0.01 -0.22 0.47 0.61 0.00 0.00 0.00 174.94 175.78 2jwk n GLY 38 N 4.71 -0.27 0.81 6.18 0.00 -0.55 -1.06 105.19 115.02 2jwk n GLY 38 Ca -0.11 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 -1.90 3.05 3.70 -0.02 0.00 -1.26 -4.47 105.19 104.29 2jwk n GLY 39 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2jwk n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jwk s GLU 40 N -0.24 4.32 -0.14 1.61 2.02 -0.22 -5.06 118.70 120.99 2jwk s GLU 40 Ca 0.00 0.56 -0.04 0.00 0.02 0.00 0.00 54.97 55.50 2jwk s GLU 40 Cb 0.00 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 2jwk s GLU 40 CO 0.00 0.05 0.01 0.50 0.02 0.00 0.00 175.26 175.84 2jwk s ARG 41 N 0.96 3.57 -0.13 1.61 3.52 -1.26 0.73 118.95 127.95 2jwk s ARG 41 Ca 0.28 -0.42 0.02 0.00 -0.13 0.00 0.00 55.73 55.48 2jwk s ARG 41 Cb -0.16 -2.98 -0.00 0.00 -1.56 0.00 0.00 34.95 30.25 2jwk s ARG 41 CO 0.12 0.39 -0.18 -0.65 -0.81 0.00 0.00 175.30 174.17 2jwk s GLN 42 N -0.02 3.19 0.24 5.12 -0.21 0.17 -4.96 119.66 123.18 2jwk s GLN 42 Ca 0.03 -0.78 0.11 0.00 0.02 0.00 0.00 55.36 54.74 2jwk s GLN 42 Cb -0.13 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.33 2jwk s GLN 42 CO 0.02 0.12 -0.15 -1.21 -2.12 0.00 0.00 175.29 171.94 2jwk s GLU 43 N 0.54 1.83 0.00 2.91 2.02 -1.26 -0.43 118.70 124.30 2jwk s GLU 43 Ca -0.11 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.34 2jwk s GLU 43 Cb -0.16 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.13 2jwk s GLU 43 CO 0.04 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.11 2jwk n GLY 44 N -0.31 0.38 3.84 -1.39 0.00 -1.21 -5.02 105.19 101.49 2jwk n GLY 44 Ca -0.08 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 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 4.19 0.61 0.99 1.43 -0.61 -4.92 118.68 120.38 2jwk s LEU 45 Ca 0.00 1.25 -0.00 0.00 -1.03 0.00 0.00 54.13 54.35 2jwk s LEU 45 Cb 0.00 -3.80 0.06 0.00 0.03 0.00 0.00 46.19 42.48 2jwk s LEU 45 CO 0.00 -0.09 0.86 0.42 0.23 0.00 0.00 176.35 177.78 2jwk s THR 46 N -1.77 2.48 0.08 5.49 -4.23 -1.26 -2.02 115.64 114.40 2jwk s THR 46 Ca 0.48 -0.60 -0.19 0.00 -1.18 0.00 0.00 61.69 60.21 2jwk s THR 46 Cb -0.13 -2.88 -0.09 0.00 1.34 0.00 0.00 72.50 70.75 2jwk s THR 46 CO 0.19 0.00 1.52 -0.33 -0.54 0.00 0.00 174.62 175.46 2jwk h GLU 47 N -0.17 0.42 -0.77 3.99 5.08 -1.99 0.64 114.58 121.78 2jwk h GLU 47 Ca -0.41 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 57.78 2jwk h GLU 47 Cb 1.29 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 2jwk h GLU 47 CO 0.50 0.59 0.31 1.49 -1.00 0.00 0.00 179.01 180.90 2jwk h GLU 48 N 0.20 1.14 -0.26 2.33 4.81 -1.96 -2.03 114.58 118.81 2jwk h GLU 48 Ca 0.07 -0.20 -0.19 0.00 -0.13 0.00 0.00 59.36 58.91 2jwk h GLU 48 Cb 0.40 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2jwk h GLU 48 CO 0.01 0.92 -0.58 1.98 -0.73 0.00 0.00 179.01 180.61 2jwk h MET 49 N 1.11 0.81 -0.42 1.92 4.05 -1.93 -2.48 114.93 117.99 2jwk h MET 49 Ca 0.26 -0.53 -0.03 0.00 -0.28 0.00 0.00 59.70 59.12 2jwk h MET 49 Cb 0.20 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 2jwk h MET 49 CO -0.02 1.16 0.14 -0.24 0.23 0.00 0.00 176.91 178.18 2jwk h VAL 50 N 0.61 1.17 0.07 -5.77 3.04 -0.66 -2.21 116.25 112.50 2jwk h VAL 50 Ca 0.01 -0.57 -0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2jwk h VAL 50 Cb 1.18 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 2jwk h VAL 50 CO 0.12 0.22 -0.03 0.74 -1.01 0.00 0.00 177.57 177.61 2jwk h THR 51 N 0.60 1.05 -0.34 3.17 2.02 -1.25 -0.36 112.91 117.80 2jwk h THR 51 Ca 0.14 -0.39 0.08 0.00 0.77 0.00 0.00 66.41 67.01 2jwk h THR 51 Cb 0.17 1.31 -0.08 0.00 -1.74 0.00 0.00 68.15 67.81 2jwk h THR 51 CO -0.01 0.10 -0.24 -0.61 0.37 0.00 0.00 175.52 175.13 2jwk h GLN 52 N -0.26 -0.19 -0.19 6.66 5.75 -1.02 0.24 115.11 126.10 2jwk h GLN 52 Ca -0.01 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2jwk h GLN 52 Cb 0.23 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2jwk h GLN 52 CO 0.01 -0.13 0.03 -0.07 -2.65 0.00 0.00 178.83 176.03 2jwk h LEU 53 N -0.20 0.30 -0.74 -2.39 3.38 -1.38 -1.06 115.31 113.22 2jwk h LEU 53 Ca 0.17 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2jwk h LEU 53 Cb 0.47 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2jwk h LEU 53 CO -0.46 0.48 0.47 0.28 0.09 0.00 0.00 178.44 179.30 2jwk h SER 54 N 0.11 0.80 -0.37 -0.43 0.02 -0.61 -0.76 113.55 112.30 2jwk h SER 54 Ca 0.06 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2jwk h SER 54 Cb 0.30 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2jwk h SER 54 CO 0.00 0.56 0.00 0.03 -1.14 0.00 0.00 176.83 176.29 2jwk h ARG 55 N 0.94 0.65 -0.69 3.45 2.47 -0.47 -1.14 114.38 119.59 2jwk h ARG 55 Ca 0.28 -0.21 -0.06 0.00 -1.26 0.00 0.00 59.98 58.74 2jwk h ARG 55 Cb -0.04 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.20 2jwk h ARG 55 CO -0.09 0.76 0.20 0.37 0.56 0.00 0.00 179.97 181.76 2jwk h GLN 56 N 0.47 1.09 -0.36 0.04 4.15 -0.87 -0.64 115.11 119.00 2jwk h GLN 56 Ca 0.10 -0.25 -0.17 0.00 0.77 0.00 0.00 58.65 59.11 2jwk h GLN 56 Cb 0.46 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 2jwk h GLN 56 CO 0.02 0.95 -0.44 1.49 -1.93 0.00 0.00 178.83 178.92 2jwk h GLU 57 N 1.03 0.93 0.00 1.69 4.22 -1.07 -2.40 114.58 118.97 2jwk h GLU 57 Ca 0.22 -0.52 -0.08 0.00 0.08 0.00 0.00 59.36 59.06 2jwk h GLU 57 Cb 0.33 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2jwk h GLU 57 CO -0.00 1.17 -0.39 0.35 -2.18 0.00 0.00 179.01 177.96 2jwk h PHE 58 N 0.74 0.00 0.00 0.92 3.57 -1.03 -0.65 116.94 120.49 2jwk h PHE 58 Ca 0.05 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 2jwk h PHE 58 Cb 1.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2jwk h PHE 58 CO 0.07 0.39 -0.66 0.22 -2.23 0.00 0.00 178.31 176.09 2jwk h ASP 59 N 0.00 0.00 0.47 0.41 3.58 -0.99 -3.07 116.42 116.82 2jwk h ASP 59 Ca -0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.14 2jwk h ASP 59 Cb 0.77 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 2jwk h ASP 59 CO 0.05 0.64 -1.55 0.11 -2.88 0.00 0.00 179.24 175.61 2jwk h LYS 60 N 0.00 0.20 -3.15 0.28 1.57 -1.23 -3.42 116.57 110.82 2jwk h LYS 60 Ca -0.01 -0.34 -0.59 0.00 -1.87 0.00 0.00 60.65 57.84 2jwk h LYS 60 Cb 1.50 0.13 -0.40 0.00 0.08 0.00 0.00 32.23 33.54 2jwk h LYS 60 CO 0.08 1.03 -0.77 -0.51 -0.57 0.00 0.00 179.45 178.72 2jwk s ASP 61 N -6.85 3.70 0.00 0.86 1.01 -0.27 -4.99 116.67 110.13 2jwk s ASP 61 Ca -0.09 -2.06 0.18 0.00 0.71 0.00 0.00 52.55 51.30 2jwk s ASP 61 Cb 0.07 -0.82 0.98 0.00 1.01 0.00 0.00 42.92 44.16 2jwk s ASP 61 CO 0.84 -0.35 1.54 0.59 0.21 0.00 0.00 175.17 178.01 2jwk n ASN 62 N 4.28 0.00 -0.49 0.27 4.13 -1.16 -2.81 115.26 119.48 2jwk n ASN 62 Ca 0.04 -0.16 0.08 0.00 1.68 0.00 0.00 54.58 56.22 2jwk n ASN 62 Cb 0.38 -0.20 0.17 0.00 -1.54 0.00 0.00 39.78 38.60 2jwk n ASN 62 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2jwk n ASN 63 N -1.20 3.03 -4.70 6.41 5.15 -1.26 -5.02 115.26 117.67 2jwk n ASN 63 Ca 0.10 -2.76 -0.42 0.00 -0.60 0.00 0.00 54.58 50.90 2jwk n ASN 63 Cb 0.12 -0.39 -0.03 0.00 -0.53 0.00 0.00 39.78 38.95 2jwk n ASN 63 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2jwk s THR 64 N -2.34 3.49 0.05 -0.44 2.01 -1.12 -4.97 115.64 112.32 2jwk s THR 64 Ca 0.31 0.95 -0.31 0.00 0.31 0.00 0.00 61.69 62.95 2jwk s THR 64 Cb 0.25 -3.61 -0.07 0.00 0.01 0.00 0.00 72.50 69.08 2jwk s THR 64 CO 0.07 0.02 1.42 -0.22 -0.69 0.00 0.00 174.62 175.22 2jwk s LEU 65 N 2.10 4.34 -0.12 4.42 2.96 -1.26 -4.91 118.68 126.21 2jwk s LEU 65 Ca 0.66 2.23 0.01 0.00 -0.22 0.00 0.00 54.13 56.80 2jwk s LEU 65 Cb -0.34 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.76 2jwk s LEU 65 CO 0.28 -0.71 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.11 2jwk s PHE 66 N 1.91 2.78 -0.00 5.38 0.40 -1.26 -1.44 117.98 125.75 2jwk s PHE 66 Ca 0.65 -0.59 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 2jwk s PHE 66 Cb -0.34 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 2jwk s PHE 66 CO 0.29 -0.16 -0.06 -0.48 0.70 0.00 0.00 175.22 175.50 2jwk s LEU 67 N 0.19 2.02 -0.04 -0.37 0.05 -0.91 -5.01 118.68 114.61 2jwk s LEU 67 Ca -0.08 -0.12 0.04 0.00 0.05 0.00 0.00 54.13 54.02 2jwk s LEU 67 Cb -0.15 -0.30 -0.00 0.00 -2.05 0.00 0.00 46.19 43.68 2jwk s LEU 67 CO 0.05 0.06 -0.17 0.54 -0.55 0.00 0.00 176.35 176.29 2jwk s VAL 68 N -0.18 1.39 0.02 1.48 0.11 -1.26 -1.81 120.40 120.15 2jwk s VAL 68 Ca 0.02 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 2jwk s VAL 68 Cb -0.03 -1.20 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 2jwk s VAL 68 CO -0.00 0.40 -0.04 -0.83 -3.33 0.00 0.00 175.10 171.30 2jwk s GLY 69 N 0.04 0.25 0.20 6.54 0.00 -0.70 -5.00 107.32 108.65 2jwk s GLY 69 Ca -0.04 -0.42 0.11 0.00 0.00 0.00 0.00 44.72 44.37 2jwk s GLY 69 CO 0.02 -0.45 -0.23 -0.32 0.00 0.00 0.00 173.10 172.12 2jwk s GLY 70 N -0.88 1.69 0.73 0.20 0.00 -1.26 -0.86 107.32 106.94 2jwk s GLY 70 Ca -0.07 -1.64 -0.11 0.00 0.00 0.00 0.00 44.72 42.89 2jwk s GLY 70 CO -0.00 -1.67 1.09 0.00 0.00 0.00 0.00 173.10 172.52 2jwk s ALA 71 N -1.74 2.69 0.47 3.20 0.00 -0.99 -4.93 121.76 120.46 2jwk s ALA 71 Ca 0.21 -0.26 0.14 0.00 0.00 0.00 0.00 51.96 52.04 2jwk s ALA 71 Cb -0.08 -3.06 1.12 0.00 0.00 0.00 0.00 23.12 21.10 2jwk s ALA 71 CO 0.10 -1.30 2.08 0.87 0.00 0.00 0.00 175.76 177.51 2jwk h LYS 72 N -0.77 0.23 -0.00 0.00 6.56 -1.98 -0.85 116.57 119.76 2jwk h LYS 72 Ca -0.45 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 2jwk h LYS 72 Cb 1.25 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2jwk h LYS 72 CO 0.62 0.15 -0.03 0.39 -2.06 0.00 0.00 179.45 178.52 2jwk n GLU 73 N -4.49 0.41 -3.04 3.15 1.02 -1.26 -4.80 120.64 111.64 2jwk n GLU 73 Ca 0.02 -0.03 -0.40 0.00 -0.02 0.00 0.00 57.16 56.73 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 -2.61 4.93 0.55 2.62 1.01 -0.33 -5.01 120.40 121.56 2jwk s VAL 74 Ca 0.27 1.49 -0.18 0.00 0.00 0.00 0.00 61.98 63.56 2jwk s VAL 74 Cb 0.20 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 2jwk s VAL 74 CO 0.48 0.31 1.05 -2.16 0.00 0.00 0.00 175.10 174.77 2jwk s PRO 75 N 0.41 3.55 0.26 2.72 0.04 -1.26 -4.85 135.00 135.87 2jwk s PRO 75 Ca 0.37 1.25 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 2jwk s PRO 75 Cb -0.19 -2.06 0.31 0.00 0.04 0.00 0.00 34.50 32.60 2jwk s PRO 75 CO 0.20 -0.62 1.81 -0.92 0.04 0.00 0.00 177.00 177.50 2jwk h TYR 76 N 0.92 1.00 -0.74 0.56 3.20 -1.97 -2.17 116.97 117.77 2jwk h TYR 76 Ca -0.48 -0.08 0.10 0.00 3.14 0.00 0.00 58.73 61.40 2jwk h TYR 76 Cb 1.22 -0.30 -0.05 0.00 1.54 0.00 0.00 36.73 39.14 2jwk h TYR 76 CO 0.58 0.79 0.49 0.93 -1.64 0.00 0.00 178.16 179.31 2jwk h GLU 77 N 0.94 0.62 -0.20 1.82 5.08 -2.00 -0.11 114.58 120.73 2jwk h GLU 77 Ca 0.21 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.38 2jwk h GLU 77 Cb 0.26 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2jwk h GLU 77 CO -0.01 0.41 -0.53 1.49 -1.00 0.00 0.00 179.01 179.37 2jwk h GLU 78 N 0.63 0.59 -0.80 2.33 4.57 -1.78 -2.25 114.58 117.87 2jwk h GLU 78 Ca 0.34 -0.36 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2jwk h GLU 78 Cb 0.48 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 2jwk h GLU 78 CO -0.12 0.97 0.40 0.28 -1.18 0.00 0.00 179.01 179.36 2jwk h VAL 79 N 0.46 1.25 -0.41 0.32 2.07 -0.77 -1.12 116.25 118.04 2jwk h VAL 79 Ca 0.01 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2jwk h VAL 79 Cb 1.08 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2jwk h VAL 79 CO 0.10 0.29 0.21 0.40 0.02 0.00 0.00 177.57 178.59 2jwk h ILE 80 N 1.14 1.16 -0.60 4.57 1.08 -1.02 -1.62 117.51 122.21 2jwk h ILE 80 Ca 0.28 -0.43 0.06 0.00 -0.39 0.00 0.00 64.86 64.38 2jwk h ILE 80 Cb 0.09 0.70 -0.05 0.00 -3.07 0.00 0.00 36.82 34.48 2jwk h ILE 80 CO -0.04 0.17 0.31 0.11 -0.69 0.00 0.00 178.15 178.01 2jwk h LYS 81 N 0.53 0.55 -0.36 2.37 1.79 -0.80 0.17 116.57 120.82 2jwk h LYS 81 Ca 0.14 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2jwk h LYS 81 Cb 0.08 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2jwk h LYS 81 CO -0.02 0.37 0.21 0.00 -1.08 0.00 0.00 179.45 178.93 2jwk h ALA 82 N 1.34 0.45 -0.70 3.86 0.00 -0.85 -0.59 119.26 122.76 2jwk h ALA 82 Ca 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2jwk h ALA 82 Cb 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2jwk h ALA 82 CO -0.20 -0.13 0.38 -0.07 0.00 0.00 0.00 179.25 179.23 2jwk h LEU 83 N 0.43 0.87 -0.83 0.00 3.38 -0.65 -1.95 115.31 116.57 2jwk h LEU 83 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jwk h LEU 83 Cb -0.01 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2jwk h LEU 83 CO -0.06 0.70 0.52 -1.13 0.09 0.00 0.00 178.44 178.56 2jwk h ASN 84 N 0.98 0.97 -0.59 -0.43 -0.73 0.29 -1.42 115.58 114.65 2jwk h ASN 84 Ca 0.25 -0.05 -0.08 0.00 1.87 0.00 0.00 56.30 58.29 2jwk h ASN 84 Cb 0.03 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.35 2jwk h ASN 84 CO -0.04 0.73 0.06 -0.07 -0.37 0.00 0.00 177.43 177.74 2jwk h LEU 85 N 1.13 0.99 -0.56 0.34 3.38 -0.40 -1.00 115.31 119.19 2jwk h LEU 85 Ca 0.30 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2jwk h LEU 85 Cb -0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 2jwk h LEU 85 CO -0.06 1.01 0.21 -0.07 0.09 0.00 0.00 178.44 179.63 2jwk h LEU 86 N 0.96 0.78 -0.65 1.67 -0.00 -0.99 -2.28 115.31 114.80 2jwk h LEU 86 Ca 0.18 -0.18 -0.04 0.00 -0.00 0.00 0.00 57.88 57.85 2jwk h LEU 86 Cb 0.48 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.90 2jwk h LEU 86 CO 0.02 0.75 0.26 -0.74 -0.00 0.00 0.00 178.44 178.73 2jwk h HIS 87 N 0.77 0.99 -0.83 1.13 2.76 -0.59 0.65 115.15 120.03 2jwk h HIS 87 Ca 0.19 -0.07 0.04 0.00 -2.20 0.00 0.00 60.37 58.33 2jwk h HIS 87 Cb 0.22 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 28.83 2jwk h HIS 87 CO 0.01 0.77 0.55 1.25 -1.30 0.00 0.00 177.93 179.21 2jwk h LEU 88 N 0.92 0.87 -1.52 0.26 6.46 -0.84 -1.07 115.31 120.38 2jwk h LEU 88 Ca 0.22 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 2jwk h LEU 88 Cb 0.20 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 2jwk h LEU 88 CO -0.02 0.58 0.00 0.00 -0.62 0.00 0.00 178.44 178.39 2jwk n ALA 89 N -2.41 2.44 -3.44 1.25 0.00 -0.89 -4.94 120.51 112.52 2jwk n ALA 89 Ca 0.11 -0.72 -0.19 0.00 0.00 0.00 0.00 53.44 52.64 2jwk n ALA 89 Cb 0.14 -0.97 0.08 0.00 0.00 0.00 0.00 19.45 18.70 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 1.15 -0.38 0.11 0.00 0.00 -0.41 -4.91 105.19 100.74 2jwk n GLY 90 Ca 0.14 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.39 1.27 -0.67 -0.61 5.41 0.17 -5.02 119.36 115.52 2jwk n ILE 91 Ca -0.13 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.08 2jwk n ILE 91 Cb 0.61 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 2jwk n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72