#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 0.36 -3.15 1.61 0.87 -2.03 -3.46 113.55 107.74 2jwk h SER 20 Ca 0.00 -0.84 -0.67 0.00 -1.23 0.00 0.00 61.79 59.05 2jwk h SER 20 Cb 0.00 -0.12 -0.33 0.00 -0.44 0.00 0.00 62.40 61.51 2jwk h SER 20 CO 0.00 1.70 -0.83 -0.69 -0.53 0.00 0.00 176.83 176.49 2jwk s VAL 21 N -2.50 2.38 1.05 2.23 1.01 -1.26 -5.12 120.40 118.19 2jwk s VAL 21 Ca -0.22 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 2jwk s VAL 21 Cb 0.05 -2.02 0.17 0.00 0.00 0.00 0.00 36.38 34.58 2jwk s VAL 21 CO 0.75 0.51 0.27 -2.65 0.00 0.00 0.00 175.10 173.98 2jwk n PRO 22 N 4.61 -2.28 -3.90 2.72 -0.02 -1.26 -4.16 135.00 130.70 2jwk n PRO 22 Ca -0.20 -0.67 -0.35 0.00 -2.02 0.00 0.00 63.50 60.25 2jwk n PRO 22 Cb 0.50 -1.52 -0.14 0.00 -0.02 0.00 0.00 33.50 32.33 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 -2.10 3.44 -0.16 -1.45 1.01 0.02 -3.58 120.40 117.59 2jwk s VAL 23 Ca 0.41 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 2jwk s VAL 23 Cb -0.07 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2jwk s VAL 23 CO 0.40 0.42 -0.09 -0.63 0.00 0.00 0.00 175.10 175.20 2jwk s ILE 24 N 1.48 3.31 -0.14 2.22 1.09 -0.32 -2.16 121.20 126.68 2jwk s ILE 24 Ca 0.06 -0.55 0.01 0.00 -1.10 0.00 0.00 60.65 59.06 2jwk s ILE 24 Cb -0.14 -2.43 -0.00 0.00 -1.06 0.00 0.00 42.46 38.82 2jwk s ILE 24 CO -0.03 0.50 -0.17 -0.22 -0.10 0.00 0.00 174.94 174.91 2jwk s LEU 25 N 0.60 2.40 -0.14 2.97 0.20 -0.77 0.59 118.68 124.53 2jwk s LEU 25 Ca -0.05 -0.48 0.00 0.00 0.69 0.00 0.00 54.13 54.29 2jwk s LEU 25 Cb -0.15 -1.53 -0.01 0.00 -0.43 0.00 0.00 46.19 44.08 2jwk s LEU 25 CO 0.03 0.12 -0.15 -1.61 -0.29 0.00 0.00 176.35 174.44 2jwk s GLU 26 N 0.62 3.26 -0.68 1.98 2.02 0.13 -1.36 118.70 124.68 2jwk s GLU 26 Ca -0.09 -0.74 -0.23 0.00 0.02 0.00 0.00 54.97 53.93 2jwk s GLU 26 Cb -0.16 -2.59 0.07 0.00 0.10 0.00 0.00 34.13 31.55 2jwk s GLU 26 CO 0.03 0.11 1.00 0.08 0.02 0.00 0.00 175.26 176.49 2jwk s VAL 27 N 0.59 4.29 -0.24 2.63 1.01 0.29 -1.11 120.40 127.86 2jwk s VAL 27 Ca -0.09 -0.36 0.23 0.00 0.00 0.00 0.00 61.98 61.75 2jwk s VAL 27 Cb -0.16 -4.71 0.27 0.00 0.00 0.00 0.00 36.38 31.78 2jwk s VAL 27 CO 0.03 -1.49 1.64 0.00 0.00 0.00 0.00 175.10 175.28 2jwk h ALA 28 N 9.57 0.92 -3.00 5.51 0.00 -1.67 -2.58 119.26 128.02 2jwk h ALA 28 Ca -0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jwk h ALA 28 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jwk h ALA 28 CO 1.19 0.18 0.00 0.41 0.00 0.00 0.00 179.25 181.03 2jwk n GLY 29 N 0.89 -0.11 3.08 0.00 0.00 -1.20 -4.87 105.19 102.98 2jwk n GLY 29 Ca 0.03 0.56 -0.35 0.00 0.00 0.00 0.00 46.02 46.26 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 2.88 3.42 0.00 -0.61 -1.09 -1.26 -4.60 121.20 119.93 2jwk s ILE 30 Ca 0.00 -2.81 0.00 0.00 -2.23 0.00 0.00 60.65 55.61 2jwk s ILE 30 Cb 0.00 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 2jwk s ILE 30 CO 0.00 -0.82 0.00 0.61 -1.23 0.00 0.00 174.94 173.50 2jwk n GLY 31 N 3.68 0.99 3.60 6.18 0.00 -1.26 -5.05 105.19 113.34 2jwk n GLY 31 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.59 3.91 0.06 1.61 3.01 -1.26 -4.13 119.74 122.35 2jwk s LYS 32 Ca 0.00 -0.38 0.01 0.00 -1.01 0.00 0.00 55.97 54.59 2jwk s LYS 32 Cb 0.00 -3.19 -0.04 0.00 -1.01 0.00 0.00 37.83 33.60 2jwk s LYS 32 CO 0.00 0.22 -0.05 0.71 0.51 0.00 0.00 175.35 176.74 2jwk s TYR 33 N 0.49 0.65 0.01 3.18 1.51 -0.85 -1.79 117.35 120.56 2jwk s TYR 33 Ca 0.02 -0.84 0.07 0.00 -1.01 0.00 0.00 57.07 55.31 2jwk s TYR 33 Cb -0.13 -0.41 -0.02 0.00 -0.11 0.00 0.00 41.96 41.29 2jwk s TYR 33 CO 0.01 -0.21 -0.20 0.00 -1.11 0.00 0.00 175.55 174.04 2jwk s ALA 34 N -3.03 1.67 -0.03 3.71 0.00 -0.27 -1.68 121.76 122.14 2jwk s ALA 34 Ca 0.03 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2jwk s ALA 34 Cb 0.01 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2jwk s ALA 34 CO -0.05 0.39 -0.08 0.96 0.00 0.00 0.00 175.76 176.98 2jwk s ILE 35 N -0.62 0.72 -0.26 0.00 -4.36 0.45 0.18 121.20 117.30 2jwk s ILE 35 Ca 0.07 -0.31 -0.04 0.00 -0.26 0.00 0.00 60.65 60.11 2jwk s ILE 35 Cb -0.08 -0.65 0.01 0.00 1.25 0.00 0.00 42.46 42.99 2jwk s ILE 35 CO 0.00 0.23 0.00 -0.44 0.24 0.00 0.00 174.94 174.98 2jwk s SER 36 N 0.28 4.65 -0.34 4.36 0.01 0.20 0.68 113.70 123.54 2jwk s SER 36 Ca -0.04 -0.70 -0.04 0.00 1.31 0.00 0.00 55.95 56.48 2jwk s SER 36 Cb -0.09 -1.77 0.06 0.00 0.21 0.00 0.00 66.02 64.43 2jwk s SER 36 CO 0.00 -0.13 0.09 -0.63 0.41 0.00 0.00 173.24 172.98 2jwk s ILE 37 N 1.43 3.41 -1.47 1.44 1.01 0.24 -1.18 121.20 126.07 2jwk s ILE 37 Ca 0.02 -1.40 -0.03 0.00 0.00 0.00 0.00 60.65 59.25 2jwk s ILE 37 Cb -0.16 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.32 2jwk s ILE 37 CO -0.01 -0.25 0.41 0.61 0.00 0.00 0.00 174.94 175.70 2jwk n GLY 38 N 4.71 -0.24 1.00 6.18 0.00 -1.23 -1.24 105.19 114.37 2jwk n GLY 38 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 3.02 3.72 -0.02 0.00 -1.26 -5.03 105.19 103.63 2jwk n GLY 39 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.22 4.34 -0.11 1.61 2.56 -0.37 -5.07 118.70 121.45 2jwk s GLU 40 Ca 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 54.97 55.40 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 -0.01 0.50 -0.56 0.00 0.00 175.26 175.34 2jwk s ARG 41 N 0.63 3.23 -0.15 4.30 3.00 -1.26 0.80 118.95 129.49 2jwk s ARG 41 Ca 0.26 -0.45 0.01 0.00 -1.00 0.00 0.00 55.73 54.54 2jwk s ARG 41 Cb -0.15 -2.83 0.00 0.00 0.00 0.00 0.00 34.95 31.97 2jwk s ARG 41 CO 0.10 0.53 -0.17 -0.65 0.00 0.00 0.00 175.30 175.12 2jwk s GLN 42 N -0.41 3.18 0.23 5.12 -0.21 0.21 -4.96 119.66 122.82 2jwk s GLN 42 Ca 0.07 -0.77 0.10 0.00 0.02 0.00 0.00 55.36 54.78 2jwk s GLN 42 Cb -0.12 -2.58 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 2jwk s GLN 42 CO 0.02 0.02 -0.13 -2.00 -2.12 0.00 0.00 175.29 171.08 2jwk s GLU 43 N 0.79 1.92 0.00 2.91 2.12 -1.26 -0.41 118.70 124.77 2jwk s GLU 43 Ca -0.06 -1.47 0.00 0.00 0.36 0.00 0.00 54.97 53.79 2jwk s GLU 43 Cb -0.15 -2.00 0.00 0.00 0.26 0.00 0.00 34.13 32.23 2jwk s GLU 43 CO -0.00 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 2jwk n GLY 44 N -0.29 0.43 3.85 -1.50 0.00 -1.20 -5.02 105.19 101.46 2jwk n GLY 44 Ca -0.09 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 4.13 0.63 0.99 1.43 -0.67 -4.92 118.68 120.28 2jwk s LEU 45 Ca 0.00 1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2jwk s LEU 45 Cb 0.00 -3.87 0.07 0.00 0.03 0.00 0.00 46.19 42.42 2jwk s LEU 45 CO 0.00 -0.13 0.88 0.42 0.23 0.00 0.00 176.35 177.76 2jwk s THR 46 N -1.86 2.41 0.11 5.49 -4.23 -1.26 -2.01 115.64 114.29 2jwk s THR 46 Ca 0.50 -0.60 -0.16 0.00 -1.18 0.00 0.00 61.69 60.25 2jwk s THR 46 Cb -0.11 -2.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.86 2jwk s THR 46 CO 0.19 0.00 1.50 -0.33 -0.54 0.00 0.00 174.62 175.44 2jwk h GLU 47 N -0.23 0.64 -0.61 3.99 5.08 -1.99 0.50 114.58 121.97 2jwk h GLU 47 Ca -0.40 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 57.65 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 0.48 0.82 0.14 1.49 -1.00 0.00 0.00 179.01 180.94 2jwk h GLU 48 N 0.43 0.96 -0.20 2.33 4.81 -1.96 -2.06 114.58 118.89 2jwk h GLU 48 Ca 0.08 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 2jwk h GLU 48 Cb 0.59 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2jwk h GLU 48 CO 0.03 0.86 -0.33 0.52 -0.73 0.00 0.00 179.01 179.37 2jwk h MET 49 N 0.92 0.58 -0.61 1.92 2.86 -1.92 -2.39 114.93 116.29 2jwk h MET 49 Ca 0.20 -0.35 0.02 0.00 -2.06 0.00 0.00 59.70 57.51 2jwk h MET 49 Cb 0.34 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2jwk h MET 49 CO 0.00 0.96 0.41 -0.24 1.06 0.00 0.00 176.91 179.10 2jwk h VAL 50 N 0.25 1.11 0.10 -2.22 3.04 -0.75 -1.53 116.25 116.25 2jwk h VAL 50 Ca 0.02 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.44 2jwk h VAL 50 Cb 0.91 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 2jwk h VAL 50 CO 0.07 0.14 -0.05 0.74 -1.01 0.00 0.00 177.57 177.47 2jwk h THR 51 N 0.77 0.99 -0.35 3.17 2.02 -1.29 0.13 112.91 118.35 2jwk h THR 51 Ca 0.24 -0.35 0.08 0.00 0.77 0.00 0.00 66.41 67.14 2jwk h THR 51 Cb 0.01 1.22 -0.08 0.00 -1.74 0.00 0.00 68.15 67.56 2jwk h THR 51 CO -0.06 0.09 -0.23 -0.61 0.37 0.00 0.00 175.52 175.08 2jwk h GLN 52 N -0.30 -0.17 -0.17 6.66 4.15 -0.85 0.17 115.11 124.60 2jwk h GLN 52 Ca -0.01 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2jwk h GLN 52 Cb 0.25 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2jwk h GLN 52 CO 0.02 -0.11 0.03 -0.07 -1.93 0.00 0.00 178.83 176.77 2jwk h LEU 53 N -0.18 0.26 -0.72 -2.39 3.38 -1.26 -0.99 115.31 113.42 2jwk h LEU 53 Ca 0.18 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2jwk h LEU 53 Cb 0.45 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 2jwk h LEU 53 CO -0.46 0.44 0.44 0.28 0.09 0.00 0.00 178.44 179.24 2jwk h SER 54 N 0.07 0.71 -0.33 -0.43 0.02 -0.51 0.16 113.55 113.24 2jwk h SER 54 Ca 0.05 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 2jwk h SER 54 Cb 0.29 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2jwk h SER 54 CO 0.00 0.48 0.01 0.03 -1.14 0.00 0.00 176.83 176.21 2jwk h ARG 55 N 0.85 0.58 -0.73 3.45 2.47 -0.60 -1.19 114.38 119.22 2jwk h ARG 55 Ca 0.30 -0.18 -0.06 0.00 -1.26 0.00 0.00 59.98 58.78 2jwk h ARG 55 Cb 0.07 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 2jwk h ARG 55 CO -0.13 0.70 0.24 0.37 0.56 0.00 0.00 179.97 181.71 2jwk h GLN 56 N 0.39 1.13 -0.33 0.04 4.15 -0.75 -0.76 115.11 118.98 2jwk h GLN 56 Ca 0.10 -0.24 -0.17 0.00 0.77 0.00 0.00 58.65 59.11 2jwk h GLN 56 Cb 0.43 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 2jwk h GLN 56 CO 0.02 0.96 -0.45 1.49 -1.93 0.00 0.00 178.83 178.91 2jwk h GLU 57 N 1.08 0.86 0.00 1.69 4.22 -0.90 -2.37 114.58 119.15 2jwk h GLU 57 Ca 0.24 -0.48 -0.09 0.00 0.08 0.00 0.00 59.36 59.11 2jwk h GLU 57 Cb 0.29 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2jwk h GLU 57 CO -0.01 1.12 -0.41 0.35 -2.18 0.00 0.00 179.01 177.89 2jwk h PHE 58 N 0.68 0.00 0.00 0.92 3.57 -1.02 -1.34 116.94 119.75 2jwk h PHE 58 Ca 0.04 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.40 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 0.06 0.41 -0.69 -0.44 -2.23 0.00 0.00 178.31 175.42 2jwk h ASP 59 N 0.00 0.00 0.58 0.41 3.32 -1.01 -3.08 116.42 116.64 2jwk h ASP 59 Ca -0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.76 2jwk h ASP 59 Cb 0.84 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 2jwk h ASP 59 CO 0.05 0.69 -1.42 0.11 -1.72 0.00 0.00 179.24 176.95 2jwk h LYS 60 N 0.00 0.18 -3.18 3.56 1.57 -1.26 -3.42 116.57 114.02 2jwk h LYS 60 Ca -0.01 -0.30 -0.57 0.00 -1.87 0.00 0.00 60.65 57.90 2jwk h LYS 60 Cb 1.52 0.11 -0.40 0.00 0.08 0.00 0.00 32.23 33.55 2jwk h LYS 60 CO 0.09 1.03 -0.77 0.34 -0.57 0.00 0.00 179.45 179.57 2jwk s ASP 61 N -6.85 3.74 0.00 0.86 2.15 -0.52 -4.99 116.67 111.06 2jwk s ASP 61 Ca -0.06 -1.75 0.16 0.00 0.43 0.00 0.00 52.55 51.33 2jwk s ASP 61 Cb 0.08 -0.71 0.81 0.00 -0.30 0.00 0.00 42.92 42.80 2jwk s ASP 61 CO 0.85 -0.39 1.48 0.59 -0.17 0.00 0.00 175.17 177.53 2jwk n ASN 62 N 4.67 0.00 -1.00 -0.34 4.13 -1.16 -2.67 115.26 118.88 2jwk n ASN 62 Ca 0.00 0.10 0.08 0.00 1.68 0.00 0.00 54.58 56.45 2jwk n ASN 62 Cb 0.40 -0.31 0.26 0.00 -1.54 0.00 0.00 39.78 38.60 2jwk n ASN 62 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jwk n ASN 63 N -1.31 3.97 -4.63 6.41 4.13 -1.26 -4.99 115.26 117.57 2jwk n ASN 63 Ca 0.07 -2.77 -0.43 0.00 1.68 0.00 0.00 54.58 53.14 2jwk n ASN 63 Cb 0.14 -0.50 -0.03 0.00 -1.54 0.00 0.00 39.78 37.85 2jwk n ASN 63 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2jwk s THR 64 N -2.40 3.63 0.06 3.41 -4.23 -1.09 -4.66 115.64 110.36 2jwk s THR 64 Ca 0.41 0.72 -0.31 0.00 -1.18 0.00 0.00 61.69 61.33 2jwk s THR 64 Cb 0.31 -3.62 -0.08 0.00 1.34 0.00 0.00 72.50 70.45 2jwk s THR 64 CO 0.12 -0.24 1.65 -0.22 -0.54 0.00 0.00 174.62 175.39 2jwk s LEU 65 N 5.15 4.36 -0.17 4.79 2.96 -1.26 -4.84 118.68 129.66 2jwk s LEU 65 Ca 0.73 2.46 -0.04 0.00 -0.22 0.00 0.00 54.13 57.06 2jwk s LEU 65 Cb -0.27 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.83 2jwk s LEU 65 CO 0.30 -0.88 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.06 2jwk s PHE 66 N 2.74 3.02 -0.01 5.38 0.08 -1.26 -0.80 117.98 127.13 2jwk s PHE 66 Ca 0.74 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.43 2jwk s PHE 66 Cb -0.39 -2.00 -0.00 0.00 -0.57 0.00 0.00 43.02 40.05 2jwk s PHE 66 CO 0.32 -0.13 -0.08 -0.48 -0.10 0.00 0.00 175.22 174.76 2jwk s LEU 67 N 0.62 1.97 -0.03 -0.37 0.05 -0.92 -5.00 118.68 114.99 2jwk s LEU 67 Ca -0.02 -0.14 0.05 0.00 0.05 0.00 0.00 54.13 54.06 2jwk s LEU 67 Cb -0.14 -0.41 -0.01 0.00 -2.05 0.00 0.00 46.19 43.58 2jwk s LEU 67 CO 0.02 0.09 -0.17 0.54 -0.55 0.00 0.00 176.35 176.28 2jwk s VAL 68 N -0.11 1.35 0.02 1.48 0.11 -1.26 -1.85 120.40 120.14 2jwk s VAL 68 Ca 0.02 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 2jwk s VAL 68 Cb -0.04 -1.15 -0.01 0.00 -1.53 0.00 0.00 36.38 33.65 2jwk s VAL 68 CO -0.00 0.39 -0.05 -0.83 -3.33 0.00 0.00 175.10 171.27 2jwk s GLY 69 N -0.14 0.33 0.18 6.54 0.00 -0.46 -4.99 107.32 108.78 2jwk s GLY 69 Ca 0.01 -0.47 0.11 0.00 0.00 0.00 0.00 44.72 44.37 2jwk s GLY 69 CO 0.01 -0.49 -0.24 -0.32 0.00 0.00 0.00 173.10 172.05 2jwk s GLY 70 N -0.89 1.69 0.70 0.20 0.00 -1.26 -0.55 107.32 107.21 2jwk s GLY 70 Ca -0.06 -1.62 -0.11 0.00 0.00 0.00 0.00 44.72 42.93 2jwk s GLY 70 CO -0.00 -1.64 1.09 0.00 0.00 0.00 0.00 173.10 172.55 2jwk s ALA 71 N -1.59 2.84 0.48 3.20 0.00 -0.97 -4.94 121.76 120.77 2jwk s ALA 71 Ca 0.20 -0.27 0.14 0.00 0.00 0.00 0.00 51.96 52.03 2jwk s ALA 71 Cb -0.08 -3.05 1.12 0.00 0.00 0.00 0.00 23.12 21.11 2jwk s ALA 71 CO 0.09 -1.14 2.08 0.87 0.00 0.00 0.00 175.76 177.67 2jwk h LYS 72 N -0.66 0.22 -0.00 0.00 6.56 -1.97 -0.94 116.57 119.78 2jwk h LYS 72 Ca -0.45 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 2jwk h LYS 72 Cb 1.24 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2jwk h LYS 72 CO 0.63 0.15 -0.05 0.39 -2.06 0.00 0.00 179.45 178.50 2jwk n GLU 73 N -4.49 0.45 -3.17 3.15 1.02 -1.26 -4.78 120.64 111.56 2jwk n GLU 73 Ca 0.02 -0.07 -0.39 0.00 -0.02 0.00 0.00 57.16 56.70 2jwk n GLU 73 Cb 0.17 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.04 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 5.08 0.68 2.62 1.01 -0.36 -5.02 120.40 121.82 2jwk s VAL 74 Ca 0.27 1.17 -0.14 0.00 0.00 0.00 0.00 61.98 63.27 2jwk s VAL 74 Cb 0.20 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2jwk s VAL 74 CO 0.48 0.21 1.10 -2.16 0.00 0.00 0.00 175.10 174.74 2jwk s PRO 75 N 1.24 2.69 0.32 2.72 0.04 -1.26 -4.80 135.00 135.95 2jwk s PRO 75 Ca 0.30 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.70 2jwk s PRO 75 Cb -0.16 -1.94 0.56 0.00 0.04 0.00 0.00 34.50 32.99 2jwk s PRO 75 CO 0.12 -1.33 1.85 -0.92 0.04 0.00 0.00 177.00 176.76 2jwk h TYR 76 N -0.23 0.57 -0.75 0.56 3.20 -1.97 -2.21 116.97 116.15 2jwk h TYR 76 Ca -0.46 -0.07 0.07 0.00 3.14 0.00 0.00 58.73 61.42 2jwk h TYR 76 Cb 1.24 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 39.30 2jwk h TYR 76 CO 0.55 0.57 0.49 0.93 -1.64 0.00 0.00 178.16 179.07 2jwk h GLU 77 N 0.52 0.74 -0.26 1.82 5.08 -2.00 -0.78 114.58 119.69 2jwk h GLU 77 Ca 0.11 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 2jwk h GLU 77 Cb 0.38 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2jwk h GLU 77 CO 0.02 0.49 -0.43 0.93 -1.00 0.00 0.00 179.01 179.01 2jwk h GLU 78 N 0.76 0.64 -0.82 2.33 3.07 -1.77 -2.49 114.58 116.31 2jwk h GLU 78 Ca 0.33 -0.35 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 2jwk h GLU 78 Cb 0.30 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.19 2jwk h GLU 78 CO -0.11 0.95 0.44 0.28 -1.40 0.00 0.00 179.01 179.17 2jwk h VAL 79 N 0.52 1.24 -0.15 3.13 2.07 -0.98 -1.67 116.25 120.42 2jwk h VAL 79 Ca 0.04 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2jwk h VAL 79 Cb 0.97 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2jwk h VAL 79 CO 0.09 0.27 0.09 0.40 0.02 0.00 0.00 177.57 178.45 2jwk h ILE 80 N 1.15 1.05 -0.66 4.57 1.08 -1.03 -1.76 117.51 121.90 2jwk h ILE 80 Ca 0.29 -0.12 0.10 0.00 -0.39 0.00 0.00 64.86 64.74 2jwk h ILE 80 Cb 0.04 0.87 -0.07 0.00 -3.07 0.00 0.00 36.82 34.58 2jwk h ILE 80 CO -0.04 0.05 0.29 0.11 -0.69 0.00 0.00 178.15 177.87 2jwk h LYS 81 N 0.18 0.49 -0.28 2.37 1.57 -0.98 0.20 116.57 120.11 2jwk h LYS 81 Ca 0.05 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2jwk h LYS 81 Cb -0.00 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2jwk h LYS 81 CO -0.01 0.32 0.16 0.00 -0.57 0.00 0.00 179.45 179.36 2jwk h ALA 82 N 1.43 0.35 -0.64 3.86 0.00 -0.92 0.11 119.26 123.44 2jwk h ALA 82 Ca 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2jwk h ALA 82 Cb 0.39 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2jwk h ALA 82 CO -0.29 -0.21 0.37 -0.07 0.00 0.00 0.00 179.25 179.04 2jwk h LEU 83 N 0.34 0.78 -0.73 0.00 3.38 -0.56 -1.83 115.31 116.67 2jwk h LEU 83 Ca 0.11 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jwk h LEU 83 Cb -0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2jwk h LEU 83 CO -0.05 0.62 0.45 -1.13 0.09 0.00 0.00 178.44 178.42 2jwk h ASN 84 N 0.89 0.88 -0.74 -0.43 -0.73 0.42 -1.80 115.58 114.06 2jwk h ASN 84 Ca 0.23 -0.06 -0.06 0.00 1.87 0.00 0.00 56.30 58.28 2jwk h ASN 84 Cb -0.00 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.34 2jwk h ASN 84 CO -0.04 0.67 0.22 -0.07 -0.37 0.00 0.00 177.43 177.84 2jwk h LEU 85 N 1.00 1.09 -0.57 0.34 3.38 -0.19 -1.14 115.31 119.22 2jwk h LEU 85 Ca 0.26 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2jwk h LEU 85 Cb -0.05 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2jwk h LEU 85 CO -0.05 1.01 0.18 -0.07 0.09 0.00 0.00 178.44 179.60 2jwk h LEU 86 N 1.11 0.84 -0.64 1.67 -0.00 -1.13 -2.57 115.31 114.58 2jwk h LEU 86 Ca 0.24 -0.21 -0.03 0.00 -0.00 0.00 0.00 57.88 57.88 2jwk h LEU 86 Cb 0.32 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.73 2jwk h LEU 86 CO -0.01 0.82 0.29 -0.74 -0.00 0.00 0.00 178.44 178.81 2jwk h HIS 87 N 0.81 0.95 -0.91 1.13 2.76 -1.03 0.55 115.15 119.41 2jwk h HIS 87 Ca 0.19 -0.06 0.06 0.00 -2.20 0.00 0.00 60.37 58.36 2jwk h HIS 87 Cb 0.28 -0.29 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 2jwk h HIS 87 CO 0.02 0.73 0.59 -0.07 -1.30 0.00 0.00 177.93 177.89 2jwk h LEU 88 N 0.89 0.91 -1.48 0.26 4.07 -0.92 -0.94 115.31 118.11 2jwk h LEU 88 Ca 0.22 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.18 2jwk h LEU 88 Cb 0.15 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.70 2jwk h LEU 88 CO -0.02 0.59 0.00 0.00 -1.08 0.00 0.00 178.44 177.92 2jwk n ALA 89 N -2.39 2.55 -3.44 1.53 0.00 -1.00 -4.93 120.51 112.84 2jwk n ALA 89 Ca 0.14 -0.69 -0.19 0.00 0.00 0.00 0.00 53.44 52.69 2jwk n ALA 89 Cb 0.19 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 18.74 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 0.98 -0.38 0.10 0.00 0.00 -0.36 -4.93 105.19 100.60 2jwk n GLY 90 Ca 0.12 0.13 -0.11 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 -4.44 1.44 -0.83 -0.61 5.41 0.15 -5.02 119.36 115.48 2jwk n ILE 91 Ca -0.11 -0.82 0.00 0.00 1.00 0.00 0.00 62.75 62.82 2jwk n ILE 91 Cb 0.60 -0.66 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 2jwk n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72