#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwe s LYS 2 N 0.00 3.67 -0.07 -2.82 2.20 -1.26 -5.10 119.74 116.37 2jwe s LYS 2 Ca 0.00 0.11 0.05 0.00 -0.36 0.00 0.00 55.97 55.77 2jwe s LYS 2 Cb 0.00 -3.16 -0.01 0.00 -1.51 0.00 0.00 37.83 33.15 2jwe s LYS 2 CO 0.00 0.70 -0.24 0.08 -0.36 0.00 0.00 175.35 175.53 2jwe s VAL 3 N -1.13 2.10 -0.17 4.02 1.01 -1.26 -5.12 120.40 119.84 2jwe s VAL 3 Ca 0.22 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 2jwe s VAL 3 Cb -0.14 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.51 2jwe s VAL 3 CO 0.11 0.57 -0.05 -0.89 0.00 0.00 0.00 175.10 174.84 2jwe s THR 4 N 0.01 1.14 0.25 3.92 2.01 -1.26 -5.13 115.64 116.57 2jwe s THR 4 Ca -0.09 -0.70 0.09 0.00 0.31 0.00 0.00 61.69 61.31 2jwe s THR 4 Cb -0.15 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 2jwe s THR 4 CO 0.05 0.09 0.01 -0.76 -0.69 0.00 0.00 174.62 173.33 2jwe s LEU 5 N 1.61 3.27 -0.25 4.42 1.43 -1.26 -5.12 118.68 122.78 2jwe s LEU 5 Ca -0.00 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 2jwe s LEU 5 Cb -0.16 -1.82 0.08 0.00 0.03 0.00 0.00 46.19 44.33 2jwe s LEU 5 CO -0.08 0.01 0.07 -0.69 0.23 0.00 0.00 176.35 175.90 2jwe s VAL 6 N -2.20 0.59 0.37 -1.59 1.01 -1.26 -5.13 120.40 112.19 2jwe s VAL 6 Ca 0.31 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 2jwe s VAL 6 Cb -0.07 -1.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.94 2jwe s VAL 6 CO 0.20 -0.46 1.15 -0.75 0.00 0.00 0.00 175.10 175.24 2jwe s LYS 7 N 1.79 4.21 0.54 2.72 2.20 -1.26 -5.04 119.74 124.90 2jwe s LYS 7 Ca 0.04 1.82 -0.05 0.00 -0.36 0.00 0.00 55.97 57.43 2jwe s LYS 7 Cb -0.17 -2.79 -0.01 0.00 -1.51 0.00 0.00 37.83 33.35 2jwe s LYS 7 CO -0.19 -0.18 0.83 -1.12 -0.36 0.00 0.00 175.35 174.33 2jwe s SER 8 N -1.08 5.86 -0.73 1.43 0.01 -1.25 -4.97 113.70 112.97 2jwe s SER 8 Ca 0.54 0.74 -0.26 0.00 1.31 0.00 0.00 55.95 58.28 2jwe s SER 8 Cb -0.31 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 2jwe s SER 8 CO 0.39 -0.85 1.97 -0.60 0.41 0.00 0.00 173.24 174.56 2jwe s ARG 9 N -4.85 2.50 -1.03 12.44 3.52 -1.26 -3.68 118.95 126.59 2jwe s ARG 9 Ca 0.51 0.31 -0.10 0.00 -0.13 0.00 0.00 55.73 56.32 2jwe s ARG 9 Cb -0.10 -4.69 0.09 0.00 -1.56 0.00 0.00 34.95 28.69 2jwe s ARG 9 CO 0.44 -3.13 0.34 0.36 -0.81 0.00 0.00 175.30 172.50 2jwe n LYS 10 N 9.03 -2.49 -0.07 5.12 2.85 -1.26 -4.77 118.16 126.56 2jwe n LYS 10 Ca 0.31 0.24 -0.09 0.00 -1.05 0.00 0.00 58.31 57.72 2jwe n LYS 10 Cb 0.50 -4.85 -0.07 0.00 -0.65 0.00 0.00 35.03 29.96 2jwe n LYS 10 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2jwe n ASN 11 N -2.06 2.68 -3.51 -5.58 2.85 -1.24 -5.08 115.26 103.32 2jwe n ASN 11 Ca 0.02 -0.06 -0.10 0.00 -0.11 0.00 0.00 54.58 54.33 2jwe n ASN 11 Cb 0.51 0.02 -0.02 0.00 1.24 0.00 0.00 39.78 41.53 2jwe n ASN 11 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2jwe s GLU 12 N -2.29 1.23 0.53 1.20 0.41 -1.26 -5.04 118.70 113.48 2jwe s GLU 12 Ca -0.16 -0.50 0.01 0.00 -0.41 0.00 0.00 54.97 53.91 2jwe s GLU 12 Cb 0.05 0.53 0.01 0.00 -1.78 0.00 0.00 34.13 32.94 2jwe s GLU 12 CO 0.37 -0.54 0.10 0.39 -0.49 0.00 0.00 175.26 175.09 2jwe n GLU 13 N -0.36 0.72 0.07 1.61 1.02 -1.26 -3.75 120.64 118.69 2jwe n GLU 13 Ca -0.13 -3.74 -0.09 0.00 -0.02 0.00 0.00 57.16 53.19 2jwe n GLU 13 Cb 0.63 0.86 0.03 0.00 -0.02 0.00 0.00 31.44 32.94 2jwe n GLU 13 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2jwe h TYR 14 N 1.12 0.41 -2.74 -0.32 0.05 -2.01 -3.47 116.97 110.01 2jwe h TYR 14 Ca -0.42 -0.20 -0.40 0.00 0.05 0.00 0.00 58.73 57.77 2jwe h TYR 14 Cb 1.31 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 38.95 2jwe h TYR 14 CO 0.00 0.96 -0.49 0.41 -1.05 0.00 0.00 178.16 177.99 2jwe n GLY 15 N 0.65 -0.08 3.83 3.88 0.00 -1.26 -4.97 105.19 107.25 2jwe n GLY 15 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2jwe n GLY 15 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jwe s LEU 16 N -5.76 4.43 -0.08 0.99 0.05 -1.26 -5.09 118.68 111.96 2jwe s LEU 16 Ca 0.00 0.79 0.02 0.00 0.05 0.00 0.00 54.13 54.99 2jwe s LEU 16 Cb 0.00 -2.44 -0.02 0.00 -2.05 0.00 0.00 46.19 41.68 2jwe s LEU 16 CO 0.00 0.32 -0.14 -0.60 -0.55 0.00 0.00 176.35 175.38 2jwe s ARG 17 N -0.88 2.86 0.39 1.48 3.00 -1.26 -5.13 118.95 119.42 2jwe s ARG 17 Ca 0.21 -0.69 0.07 0.00 -1.00 0.00 0.00 55.73 54.32 2jwe s ARG 17 Cb -0.15 -2.48 -0.08 0.00 0.00 0.00 0.00 34.95 32.24 2jwe s ARG 17 CO 0.10 0.46 -0.01 -0.51 0.00 0.00 0.00 175.30 175.34 2jwe s LEU 18 N -0.30 2.82 0.29 -0.88 1.43 -1.26 -5.16 118.68 115.62 2jwe s LEU 18 Ca 0.02 -1.34 -0.16 0.00 -1.03 0.00 0.00 54.13 51.62 2jwe s LEU 18 Cb -0.13 -0.89 0.01 0.00 0.03 0.00 0.00 46.19 45.22 2jwe s LEU 18 CO 0.03 -0.41 0.63 0.00 0.23 0.00 0.00 176.35 176.82 2jwe s ALA 19 N -2.72 -0.68 0.05 4.21 0.00 -1.26 -5.10 121.76 116.25 2jwe s ALA 19 Ca 0.35 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.72 2jwe s ALA 19 Cb 0.09 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 24.11 2jwe s ALA 19 CO 0.18 -0.95 -0.16 -1.54 0.00 0.00 0.00 175.76 173.28 2jwe s SER 20 N -2.99 1.90 0.53 0.00 1.04 -1.26 -4.94 113.70 107.97 2jwe s SER 20 Ca 0.17 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.12 2jwe s SER 20 Cb -0.04 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 65.98 2jwe s SER 20 CO 0.09 0.04 0.20 -1.00 0.98 0.00 0.00 173.24 173.55 2jwe s HIS 21 N -0.93 1.75 -0.05 5.02 3.76 -1.26 0.58 115.29 124.17 2jwe s HIS 21 Ca 0.03 -0.90 0.02 0.00 -0.15 0.00 0.00 55.06 54.06 2jwe s HIS 21 Cb -0.08 -1.76 0.01 0.00 1.11 0.00 0.00 32.58 31.86 2jwe s HIS 21 CO 0.02 -0.11 -0.11 0.42 -0.85 0.00 0.00 174.74 174.11 2jwe s ILE 22 N -2.82 1.00 0.31 0.60 -1.09 -1.26 -4.91 121.20 113.02 2jwe s ILE 22 Ca 0.19 -0.42 0.03 0.00 -2.23 0.00 0.00 60.65 58.22 2jwe s ILE 22 Cb -0.00 -0.91 -0.02 0.00 -1.58 0.00 0.00 42.46 39.94 2jwe s ILE 22 CO 0.12 0.32 0.30 0.72 -1.23 0.00 0.00 174.94 175.16 2jwe s PHE 23 N 0.54 1.45 -0.33 3.97 -0.71 -1.26 -0.23 117.98 121.41 2jwe s PHE 23 Ca -0.11 -1.50 -0.09 0.00 -1.04 0.00 0.00 56.93 54.19 2jwe s PHE 23 Cb -0.14 -0.52 0.02 0.00 -1.21 0.00 0.00 43.02 41.17 2jwe s PHE 23 CO 0.02 -0.89 0.15 0.08 -1.34 0.00 0.00 175.22 173.24 2jwe s VAL 24 N -3.52 4.32 0.24 -2.49 1.01 0.62 -4.80 120.40 115.78 2jwe s VAL 24 Ca 0.38 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 2jwe s VAL 24 Cb 0.03 -3.32 0.13 0.00 0.00 0.00 0.00 36.38 33.21 2jwe s VAL 24 CO 0.23 -0.08 1.76 0.50 0.00 0.00 0.00 175.10 177.51 2jwe h LYS 25 N 8.33 0.94 -1.68 2.72 3.64 -1.91 0.84 116.57 129.45 2jwe h LYS 25 Ca -0.28 -0.22 0.36 0.00 -1.27 0.00 0.00 60.65 59.23 2jwe h LYS 25 Cb 1.12 -0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.71 2jwe h LYS 25 CO 0.63 0.86 0.91 -2.00 -2.27 0.00 0.00 179.45 177.58 2jwe s GLU 26 N -5.18 0.27 -0.01 1.90 2.12 -1.26 -4.62 118.70 111.91 2jwe s GLU 26 Ca -0.11 -0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.10 2jwe s GLU 26 Cb 0.15 0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.61 2jwe s GLU 26 CO 0.82 -0.12 -0.11 0.42 -0.54 0.00 0.00 175.26 175.72 2jwe s ILE 27 N -2.14 0.91 0.44 -3.70 1.09 -1.26 -4.92 121.20 111.62 2jwe s ILE 27 Ca 0.22 -0.49 -0.13 0.00 -1.10 0.00 0.00 60.65 59.15 2jwe s ILE 27 Cb 0.03 -0.77 -0.07 0.00 -1.06 0.00 0.00 42.46 40.59 2jwe s ILE 27 CO -0.03 0.26 0.85 -0.55 -0.10 0.00 0.00 174.94 175.36 2jwe s SER 28 N -0.21 6.59 0.45 3.58 0.15 -1.26 -5.03 113.70 117.97 2jwe s SER 28 Ca 0.03 1.31 -0.10 0.00 0.70 0.00 0.00 55.95 57.89 2jwe s SER 28 Cb -0.05 -2.40 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 2jwe s SER 28 CO -0.00 -0.44 0.83 0.00 1.20 0.00 0.00 173.24 174.82 2jwe s GLN 29 N -3.82 3.75 -1.57 5.44 0.00 -1.26 -4.00 119.66 118.19 2jwe s GLN 29 Ca 0.54 0.52 -0.02 0.00 -0.00 0.00 0.00 55.36 56.41 2jwe s GLN 29 Cb -0.10 -2.32 0.01 0.00 0.00 0.00 0.00 33.01 30.59 2jwe s GLN 29 CO 0.29 -0.15 0.20 -0.25 0.00 0.00 0.00 175.29 175.38 2jwe n ASP 30 N -1.64 -5.50 -4.70 12.60 9.92 -1.26 -4.98 116.55 120.99 2jwe n ASP 30 Ca 0.03 -0.08 -0.30 0.00 -0.53 0.00 0.00 54.79 53.91 2jwe n ASP 30 Cb 0.54 -4.55 -0.09 0.00 -0.64 0.00 0.00 41.12 36.39 2jwe n ASP 30 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2jwe s SER 31 N -2.27 4.07 0.19 -2.24 0.01 -1.26 -4.99 113.70 107.22 2jwe s SER 31 Ca 0.11 -1.46 -0.11 0.00 1.31 0.00 0.00 55.95 55.79 2jwe s SER 31 Cb -0.05 0.02 0.17 0.00 0.21 0.00 0.00 66.02 66.37 2jwe s SER 31 CO 0.13 -0.66 1.81 -0.07 0.41 0.00 0.00 173.24 174.87 2jwe h LEU 32 N 1.52 0.54 -0.41 2.44 3.38 -1.93 0.12 115.31 120.97 2jwe h LEU 32 Ca -0.44 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2jwe h LEU 32 Cb 1.28 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2jwe h LEU 32 CO 0.76 0.37 0.26 0.00 0.09 0.00 0.00 178.44 179.92 2jwe h ALA 33 N 1.29 0.52 -0.40 1.53 0.00 -1.97 0.32 119.26 120.55 2jwe h ALA 33 Ca 0.26 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2jwe h ALA 33 Cb 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2jwe h ALA 33 CO -0.14 -0.02 -0.17 0.00 0.00 0.00 0.00 179.25 178.93 2jwe h ALA 34 N 1.14 0.95 -0.03 0.00 0.00 -1.62 -0.93 119.26 118.78 2jwe h ALA 34 Ca 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2jwe h ALA 34 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2jwe h ALA 34 CO -0.03 0.61 -0.06 0.00 0.00 0.00 0.00 179.25 179.77 2jwe h ARG 35 N 0.67 0.08 -0.18 0.00 3.08 -0.42 -3.23 114.38 114.39 2jwe h ARG 35 Ca 0.10 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 2jwe h ARG 35 Cb 0.65 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2jwe h ARG 35 CO 0.05 0.64 -0.12 -0.44 -1.07 0.00 0.00 179.97 179.02 2jwe h ASP 36 N -0.46 0.27 -3.93 7.04 3.32 -0.38 -3.47 116.42 118.81 2jwe h ASP 36 Ca 0.00 -0.06 -0.33 0.00 0.02 0.00 0.00 57.03 56.66 2jwe h ASP 36 Cb 0.64 -0.07 0.06 0.00 0.22 0.00 0.00 39.33 40.18 2jwe h ASP 36 CO 0.01 0.43 -0.51 0.61 -1.72 0.00 0.00 179.24 178.06 2jwe n GLY 37 N -0.84 -0.30 0.07 2.75 0.00 -0.36 -4.91 105.19 101.60 2jwe n GLY 37 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2jwe n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jwe n ASN 38 N -1.82 2.24 -4.82 1.61 3.02 -1.25 -4.99 115.26 109.24 2jwe n ASN 38 Ca -0.08 -0.03 -0.38 0.00 -0.03 0.00 0.00 54.58 54.06 2jwe n ASN 38 Cb 0.59 0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 40.15 2jwe n ASN 38 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jwe s ILE 39 N -2.30 4.85 0.05 2.41 1.01 -1.26 -5.09 121.20 120.86 2jwe s ILE 39 Ca -0.11 1.05 0.03 0.00 0.00 0.00 0.00 60.65 61.61 2jwe s ILE 39 Cb 0.04 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 2jwe s ILE 39 CO 0.46 0.54 -0.09 -1.10 0.00 0.00 0.00 174.94 174.75 2jwe s GLN 40 N -1.17 0.56 0.14 2.79 -0.21 -1.26 -4.91 119.66 115.60 2jwe s GLN 40 Ca 0.28 -0.78 -0.31 0.00 0.02 0.00 0.00 55.36 54.56 2jwe s GLN 40 Cb -0.18 -0.35 -0.10 0.00 1.00 0.00 0.00 33.01 33.38 2jwe s GLN 40 CO 0.17 0.07 1.68 -2.00 -2.12 0.00 0.00 175.29 173.08 2jwe s GLU 41 N -1.61 4.18 0.00 2.91 2.12 -1.26 -1.86 118.70 123.18 2jwe s GLU 41 Ca -0.09 2.45 0.00 0.00 0.36 0.00 0.00 54.97 57.69 2jwe s GLU 41 Cb -0.10 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.93 2jwe s GLU 41 CO 0.01 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 174.42 2jwe n GLY 42 N 3.97 2.69 3.70 -1.50 0.00 0.29 -5.02 105.19 109.32 2jwe n GLY 42 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2jwe n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jwe n ASP 43 N 0.00 2.83 -4.30 1.61 9.92 -0.78 -4.61 116.55 121.23 2jwe n ASP 43 Ca 0.00 1.20 -0.45 0.00 -0.53 0.00 0.00 54.79 55.01 2jwe n ASP 43 Cb 0.00 -1.49 -0.05 0.00 -0.64 0.00 0.00 41.12 38.94 2jwe n ASP 43 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2jwe s VAL 44 N -0.98 5.13 -0.99 2.53 1.01 -1.26 -0.28 120.40 125.56 2jwe s VAL 44 Ca 0.57 -1.68 -0.23 0.00 0.00 0.00 0.00 61.98 60.63 2jwe s VAL 44 Cb -0.57 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.54 2jwe s VAL 44 CO 0.61 -0.88 1.66 -0.69 0.00 0.00 0.00 175.10 175.80 2jwe s VAL 45 N 1.36 3.74 0.09 2.92 1.01 0.68 -2.69 120.40 127.51 2jwe s VAL 45 Ca 0.05 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 2jwe s VAL 45 Cb -0.27 -4.66 -0.08 0.00 0.00 0.00 0.00 36.38 31.37 2jwe s VAL 45 CO 0.01 -1.55 1.45 0.25 0.00 0.00 0.00 175.10 175.26 2jwe h LEU 46 N 14.82 0.60 -8.92 3.92 6.46 -0.87 -3.39 115.31 127.93 2jwe h LEU 46 Ca 0.17 -0.42 -0.59 0.00 -0.12 0.00 0.00 57.88 56.93 2jwe h LEU 46 Cb 1.00 -0.17 -0.19 0.00 -0.73 0.00 0.00 40.66 40.58 2jwe h LEU 46 CO 1.34 0.89 -0.81 -0.54 -0.62 0.00 0.00 178.44 178.70 2jwe s LYS 47 N -4.57 1.38 -0.12 1.25 1.02 -1.00 -1.86 119.74 115.83 2jwe s LYS 47 Ca -0.13 -1.44 -0.04 0.00 0.02 0.00 0.00 55.97 54.38 2jwe s LYS 47 Cb 0.08 -1.59 0.05 0.00 -0.52 0.00 0.00 37.83 35.86 2jwe s LYS 47 CO 0.79 0.34 0.10 0.42 -0.92 0.00 0.00 175.35 176.08 2jwe s ILE 48 N -1.79 -0.14 -1.53 2.17 1.01 0.36 0.48 121.20 121.76 2jwe s ILE 48 Ca 0.17 0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.85 2jwe s ILE 48 Cb -0.07 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 41.99 2jwe s ILE 48 CO 0.08 -0.08 0.65 -3.20 0.00 0.00 0.00 174.94 172.38 2jwe n ASN 49 N 5.30 -5.97 -0.42 3.58 2.85 0.18 -2.08 115.26 118.71 2jwe n ASN 49 Ca -0.05 -0.32 -0.03 0.00 -0.11 0.00 0.00 54.58 54.07 2jwe n ASN 49 Cb 0.49 -4.82 0.00 0.00 1.24 0.00 0.00 39.78 36.70 2jwe n ASN 49 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jwe n GLY 50 N -1.54 0.40 2.98 8.20 0.00 -1.26 -5.01 105.19 108.96 2jwe n GLY 50 Ca -0.10 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 2jwe n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwe s THR 51 N -2.35 -0.39 0.22 2.61 2.01 -0.88 -5.14 115.64 111.72 2jwe s THR 51 Ca 0.02 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 2jwe s THR 51 Cb -0.01 -0.42 -0.09 0.00 0.01 0.00 0.00 72.50 71.99 2jwe s THR 51 CO 0.02 0.12 1.41 -0.69 -0.69 0.00 0.00 174.62 174.79 2jwe s VAL 52 N 2.40 2.87 -0.34 3.82 1.01 -1.26 -0.49 120.40 128.40 2jwe s VAL 52 Ca 0.01 0.70 0.06 0.00 0.00 0.00 0.00 61.98 62.76 2jwe s VAL 52 Cb -0.12 -3.45 0.46 0.00 0.00 0.00 0.00 36.38 33.27 2jwe s VAL 52 CO -0.08 0.10 1.37 0.35 0.00 0.00 0.00 175.10 176.84 2jwe n THR 53 N 2.70 2.66 -3.55 3.92 -2.24 -0.78 -4.92 114.28 112.07 2jwe n THR 53 Ca 0.08 -3.67 -0.36 0.00 -2.27 0.00 0.00 64.05 57.83 2jwe n THR 53 Cb 0.41 -0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 67.69 2jwe n THR 53 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2jwe s GLU 54 N -3.53 3.82 0.00 -0.78 2.12 -1.26 -4.04 118.70 115.02 2jwe s GLU 54 Ca 0.50 0.27 0.00 0.00 0.36 0.00 0.00 54.97 56.10 2jwe s GLU 54 Cb 0.42 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.72 2jwe s GLU 54 CO 0.01 0.62 0.00 0.09 -0.54 0.00 0.00 175.26 175.44 2jwe n ASN 55 N 1.31 -2.98 -4.72 -1.70 3.02 0.20 -4.93 115.26 105.46 2jwe n ASN 55 Ca -0.11 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.21 2jwe n ASN 55 Cb 0.52 -1.80 0.10 0.00 -0.61 0.00 0.00 39.78 38.00 2jwe n ASN 55 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2jwe s MET 56 N -0.86 1.74 0.28 3.52 1.75 -1.26 -4.76 119.30 119.71 2jwe s MET 56 Ca 0.00 -1.20 -0.13 0.00 -1.25 0.00 0.00 55.69 53.12 2jwe s MET 56 Cb 0.00 -2.37 -0.08 0.00 2.84 0.00 0.00 34.83 35.22 2jwe s MET 56 CO 0.00 -1.38 0.66 -1.54 -0.65 0.00 0.00 175.02 172.11 2jwe s SER 57 N -4.73 6.72 0.53 1.11 1.04 -1.26 -4.87 113.70 112.23 2jwe s SER 57 Ca 0.66 1.13 0.22 0.00 0.48 0.00 0.00 55.95 58.44 2jwe s SER 57 Cb -0.05 -2.31 1.39 0.00 0.10 0.00 0.00 66.02 65.14 2jwe s SER 57 CO 0.44 -0.15 2.08 0.25 0.98 0.00 0.00 173.24 176.84 2jwe h LEU 58 N 2.40 0.00 -0.75 2.42 5.85 -1.98 -0.77 115.31 122.48 2jwe h LEU 58 Ca -0.47 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.17 2jwe h LEU 58 Cb 1.17 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 2jwe h LEU 58 CO 0.67 0.00 0.11 0.74 -0.34 0.00 0.00 178.44 179.62 2jwe h THR 59 N 0.00 1.26 -0.83 1.05 2.02 -2.01 -2.83 112.91 111.58 2jwe h THR 59 Ca 0.13 -1.01 0.08 0.00 0.77 0.00 0.00 66.41 66.37 2jwe h THR 59 Cb 0.52 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 2jwe h THR 59 CO -0.00 0.38 0.49 0.44 0.37 0.00 0.00 175.52 177.20 2jwe h ASP 60 N 0.99 0.74 -0.63 4.18 3.32 -1.52 -1.61 116.42 121.88 2jwe h ASP 60 Ca 0.20 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.32 2jwe h ASP 60 Cb 0.42 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 2jwe h ASP 60 CO 0.01 0.45 0.38 0.00 -1.72 0.00 0.00 179.24 178.35 2jwe h ALA 61 N 1.42 0.82 -0.53 3.45 0.00 -1.50 -1.48 119.26 121.45 2jwe h ALA 61 Ca 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2jwe h ALA 61 Cb 0.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2jwe h ALA 61 CO -0.21 0.10 0.30 0.87 0.00 0.00 0.00 179.25 180.32 2jwe h LYS 62 N 0.73 0.72 -0.28 0.00 1.57 -1.24 -2.59 116.57 115.47 2jwe h LYS 62 Ca 0.26 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2jwe h LYS 62 Cb 0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2jwe h LYS 62 CO -0.12 0.52 0.10 1.15 -0.57 0.00 0.00 179.45 180.52 2jwe h THR 63 N 0.73 1.19 -0.87 -0.16 2.02 -0.63 0.00 112.91 115.20 2jwe h THR 63 Ca 0.19 -0.59 0.10 0.00 0.77 0.00 0.00 66.41 66.88 2jwe h THR 63 Cb -0.00 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 2jwe h THR 63 CO -0.03 0.20 0.56 -0.07 0.37 0.00 0.00 175.52 176.54 2jwe h LEU 64 N 0.30 0.76 -0.49 2.58 3.38 -1.04 0.42 115.31 121.23 2jwe h LEU 64 Ca 0.09 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2jwe h LEU 64 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2jwe h LEU 64 CO -0.01 0.45 -0.72 0.40 0.09 0.00 0.00 178.44 178.65 2jwe h ILE 65 N 0.84 1.47 0.01 1.22 2.04 -1.25 -2.73 117.51 119.11 2jwe h ILE 65 Ca 0.40 -2.52 -0.00 0.00 1.00 0.00 0.00 64.86 63.74 2jwe h ILE 65 Cb 0.42 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 2jwe h ILE 65 CO -0.17 0.71 -0.00 -0.33 0.00 0.00 0.00 178.15 178.36 2jwe h GLU 66 N 0.00 -0.01 0.00 2.37 4.39 0.11 -3.26 114.58 118.18 2jwe h GLU 66 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2jwe h GLU 66 Cb 1.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2jwe h GLU 66 CO 0.09 0.76 -0.03 -0.09 -1.16 0.00 0.00 179.01 178.58 2jwe h ARG 67 N -0.80 0.00 -5.55 2.33 2.43 -0.37 -3.38 114.38 109.05 2jwe h ARG 67 Ca -0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 2jwe h ARG 67 Cb 0.77 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 2jwe h ARG 67 CO 0.00 0.03 0.43 -1.12 -1.51 0.00 0.00 179.97 177.80 2jwe s SER 68 N -6.82 4.58 -0.87 -3.80 0.01 -1.03 -4.81 113.70 100.96 2jwe s SER 68 Ca -0.05 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 2jwe s SER 68 Cb 0.16 -2.56 0.11 0.00 0.21 0.00 0.00 66.02 63.94 2jwe s SER 68 CO 0.64 -3.27 2.54 0.29 0.41 0.00 0.00 173.24 173.85 2jwe n LYS 69 N 8.82 3.51 0.00 12.44 5.02 -1.26 -4.82 118.16 141.86 2jwe n LYS 69 Ca 0.43 -2.98 0.00 0.00 -2.02 0.00 0.00 58.31 53.74 2jwe n LYS 69 Cb 0.45 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 2jwe n LYS 69 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jwe n GLY 70 N 1.14 -0.52 3.76 0.72 0.00 -1.26 -5.12 105.19 103.90 2jwe n GLY 70 Ca 0.55 0.12 -0.40 0.00 0.00 0.00 0.00 46.02 46.29 2jwe n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwe s LYS 71 N 0.00 4.62 0.04 1.61 -2.85 -1.26 -5.06 119.74 116.85 2jwe s LYS 71 Ca 0.00 1.71 0.07 0.00 -1.00 0.00 0.00 55.97 56.76 2jwe s LYS 71 Cb 0.00 -3.13 -0.02 0.00 -2.06 0.00 0.00 37.83 32.62 2jwe s LYS 71 CO 0.00 0.23 -0.20 -1.17 0.10 0.00 0.00 175.35 174.30 2jwe s LEU 72 N -1.54 2.16 -0.04 2.77 0.20 -1.26 -4.95 118.68 116.02 2jwe s LEU 72 Ca 0.45 -0.51 0.05 0.00 0.69 0.00 0.00 54.13 54.81 2jwe s LEU 72 Cb -0.30 -0.96 -0.01 0.00 -0.43 0.00 0.00 46.19 44.50 2jwe s LEU 72 CO 0.38 0.16 -0.18 -0.75 -0.29 0.00 0.00 176.35 175.66 2jwe s LYS 73 N -1.15 1.80 -0.05 1.98 2.20 -1.26 -5.01 119.74 118.26 2jwe s LYS 73 Ca 0.07 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 55.02 2jwe s LYS 73 Cb -0.09 -1.59 0.04 0.00 -1.51 0.00 0.00 37.83 34.68 2jwe s LYS 73 CO 0.02 0.29 0.09 -1.64 -0.36 0.00 0.00 175.35 173.74 2jwe s MET 74 N -0.07 -0.00 -0.31 4.03 -1.94 -1.26 0.52 119.30 120.26 2jwe s MET 74 Ca -0.02 0.34 -0.12 0.00 -1.71 0.00 0.00 55.69 54.19 2jwe s MET 74 Cb -0.11 -0.29 -0.03 0.00 2.01 0.00 0.00 34.83 36.41 2jwe s MET 74 CO 0.02 -0.23 0.21 0.08 -0.01 0.00 0.00 175.02 175.09 2jwe s VAL 75 N 1.55 5.19 0.31 -6.03 1.01 0.18 -4.98 120.40 117.63 2jwe s VAL 75 Ca -0.04 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 61.94 2jwe s VAL 75 Cb -0.12 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 2jwe s VAL 75 CO -0.04 0.10 -0.12 0.68 0.00 0.00 0.00 175.10 175.71 2jwe s VAL 76 N 1.72 2.43 -0.10 2.92 -7.23 -1.26 -0.33 120.40 118.55 2jwe s VAL 76 Ca 0.06 -2.26 0.04 0.00 -1.81 0.00 0.00 61.98 58.01 2jwe s VAL 76 Cb -0.17 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2jwe s VAL 76 CO 0.10 -0.29 -0.22 0.00 -0.31 0.00 0.00 175.10 174.38 2jwe s GLN 77 N -3.58 2.89 0.13 4.82 -2.07 -1.09 -4.94 119.66 115.82 2jwe s GLN 77 Ca 0.32 -0.82 -0.23 0.00 -1.82 0.00 0.00 55.36 52.81 2jwe s GLN 77 Cb -0.01 -2.21 0.07 0.00 -1.09 0.00 0.00 33.01 29.76 2jwe s GLN 77 CO 0.16 0.14 0.58 0.50 -1.32 0.00 0.00 175.29 175.35 2jwe s ARG 78 N 0.44 1.22 0.41 9.60 6.06 -1.26 -4.27 118.95 131.15 2jwe s ARG 78 Ca -0.17 -0.42 -0.27 0.00 -2.50 0.00 0.00 55.73 52.37 2jwe s ARG 78 Cb -0.17 0.56 -0.10 0.00 0.06 0.00 0.00 34.95 35.30 2jwe s ARG 78 CO 0.07 -0.51 1.44 -0.40 -2.50 0.00 0.00 175.30 173.40 2jwe n ASP 79 N -0.21 3.48 -4.82 -2.12 5.68 -1.26 -4.98 116.55 112.32 2jwe n ASP 79 Ca -0.17 1.18 -0.33 0.00 -0.50 0.00 0.00 54.79 54.97 2jwe n ASP 79 Cb 0.64 -1.60 -0.07 0.00 -1.14 0.00 0.00 41.12 38.95 2jwe n ASP 79 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2jwe s GLU 80 N -2.23 4.20 -0.16 0.11 2.02 -1.26 -5.05 118.70 116.33 2jwe s GLU 80 Ca 0.57 1.03 -0.13 0.00 0.02 0.00 0.00 54.97 56.46 2jwe s GLU 80 Cb -0.47 -2.28 -0.05 0.00 0.10 0.00 0.00 34.13 31.43 2jwe s GLU 80 CO 0.61 0.03 0.27 -1.17 0.02 0.00 0.00 175.26 175.02 2jwe s LEU 81 N -3.06 4.25 0.00 1.80 0.20 -1.26 -5.36 118.68 115.26 2jwe s LEU 81 Ca 0.59 0.48 0.31 0.00 0.69 0.00 0.00 54.13 56.21 2jwe s LEU 81 Cb -0.10 -2.33 1.75 0.00 -0.43 0.00 0.00 46.19 45.09 2jwe s LEU 81 CO 0.15 0.13 2.14 1.21 -0.29 0.00 0.00 176.35 179.69