#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 2.60 -0.14 -0.78 -2.85 -1.26 -5.12 119.74 112.19 2jwe s LYS 2 Ca 0.00 -0.86 -0.02 0.00 -1.00 0.00 0.00 55.97 54.09 2jwe s LYS 2 Cb 0.00 -2.23 -0.02 0.00 -2.06 0.00 0.00 37.83 33.52 2jwe s LYS 2 CO 0.00 0.41 -0.07 0.08 0.10 0.00 0.00 175.35 175.87 2jwe s VAL 3 N -0.21 3.61 -0.26 1.79 1.01 -1.26 -5.09 120.40 119.99 2jwe s VAL 3 Ca -0.02 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 2jwe s VAL 3 Cb -0.13 -2.55 0.08 0.00 0.00 0.00 0.00 36.38 33.77 2jwe s VAL 3 CO 0.03 0.51 0.02 -0.89 0.00 0.00 0.00 175.10 174.77 2jwe s THR 4 N 0.26 1.20 0.24 3.92 2.01 -1.26 -5.13 115.64 116.88 2jwe s THR 4 Ca -0.05 -1.24 0.05 0.00 0.31 0.00 0.00 61.69 60.76 2jwe s THR 4 Cb -0.14 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 2jwe s THR 4 CO 0.04 -0.33 0.33 -0.76 -0.69 0.00 0.00 174.62 173.20 2jwe s LEU 5 N 1.51 4.24 -0.29 4.42 1.43 -1.26 -5.11 118.68 123.62 2jwe s LEU 5 Ca 0.01 0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2jwe s LEU 5 Cb -0.18 -2.78 0.09 0.00 0.03 0.00 0.00 46.19 43.35 2jwe s LEU 5 CO -0.12 -0.06 0.07 -0.69 0.23 0.00 0.00 176.35 175.78 2jwe s VAL 6 N -1.99 1.02 0.28 -1.59 1.01 -1.26 -5.13 120.40 112.73 2jwe s VAL 6 Ca 0.34 -1.36 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 2jwe s VAL 6 Cb -0.09 -1.69 -0.09 0.00 0.00 0.00 0.00 36.38 34.51 2jwe s VAL 6 CO 0.28 -0.56 0.77 -0.75 0.00 0.00 0.00 175.10 174.85 2jwe s LYS 7 N 1.56 4.23 0.08 2.72 2.20 -1.26 -4.99 119.74 124.28 2jwe s LYS 7 Ca 0.07 0.89 0.23 0.00 -0.36 0.00 0.00 55.97 56.80 2jwe s LYS 7 Cb -0.18 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 2jwe s LYS 7 CO -0.20 0.29 0.98 -1.13 -0.36 0.00 0.00 175.35 174.93 2jwe n SER 8 N 0.32 0.60 -2.35 1.43 3.41 -1.26 -4.97 113.62 110.80 2jwe n SER 8 Ca 0.00 -0.02 -0.18 0.00 -0.26 0.00 0.00 58.87 58.41 2jwe n SER 8 Cb 0.52 0.82 -0.01 0.00 -0.26 0.00 0.00 64.21 65.28 2jwe n SER 8 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jwe n ARG 9 N -2.19 -1.85 0.03 4.33 1.74 -1.26 -4.83 116.66 112.62 2jwe n ARG 9 Ca 0.01 0.87 -0.00 0.00 -0.77 0.00 0.00 57.85 57.96 2jwe n ARG 9 Cb 0.48 -5.49 -0.00 0.00 -1.02 0.00 0.00 32.46 26.43 2jwe n ARG 9 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2jwe n LYS 10 N -2.88 0.03 -1.80 5.56 3.00 -1.26 -4.99 118.16 115.81 2jwe n LYS 10 Ca -0.21 0.01 -0.04 0.00 -0.00 0.00 0.00 58.31 58.07 2jwe n LYS 10 Cb 0.65 -0.38 0.02 0.00 0.00 0.00 0.00 35.03 35.32 2jwe n LYS 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2jwe n ASN 11 N -3.20 -0.98 -3.63 3.14 5.15 -1.26 -5.10 115.26 109.38 2jwe n ASN 11 Ca -0.01 -2.09 -0.15 0.00 -0.60 0.00 0.00 54.58 51.73 2jwe n ASN 11 Cb 0.02 0.40 -0.13 0.00 -0.53 0.00 0.00 39.78 39.54 2jwe n ASN 11 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2jwe s GLU 12 N -0.12 0.14 0.44 1.20 2.56 -1.26 -5.13 118.70 116.53 2jwe s GLU 12 Ca 0.07 0.62 0.08 0.00 0.00 0.00 0.00 54.97 55.74 2jwe s GLU 12 Cb 0.22 -0.28 0.00 0.00 2.00 0.00 0.00 34.13 36.08 2jwe s GLU 12 CO -0.06 -0.36 0.49 -1.21 -0.56 0.00 0.00 175.26 173.56 2jwe s GLU 13 N 2.39 2.61 0.45 4.30 2.02 -1.26 -4.18 118.70 125.03 2jwe s GLU 13 Ca 0.03 -1.46 0.21 0.00 0.02 0.00 0.00 54.97 53.76 2jwe s GLU 13 Cb -0.13 -2.53 1.09 0.00 0.10 0.00 0.00 34.13 32.66 2jwe s GLU 13 CO -0.09 -0.31 1.95 1.88 0.02 0.00 0.00 175.26 178.71 2jwe h TYR 14 N 0.78 0.00 -6.12 1.61 0.05 -2.02 -3.47 116.97 107.80 2jwe h TYR 14 Ca -0.39 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 57.94 2jwe h TYR 14 Cb 1.28 0.00 0.03 0.00 1.01 0.00 0.00 36.73 39.05 2jwe h TYR 14 CO 0.49 0.22 -0.75 0.41 -1.05 0.00 0.00 178.16 177.49 2jwe n GLY 15 N -0.54 -0.48 3.29 3.88 0.00 -1.26 -4.98 105.19 105.10 2jwe n GLY 15 Ca -0.02 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -7.17 2.73 -0.47 0.99 0.05 -1.26 -5.08 118.68 108.46 2jwe s LEU 16 Ca 0.53 -0.42 -0.27 0.00 0.05 0.00 0.00 54.13 54.02 2jwe s LEU 16 Cb -0.25 -1.67 0.03 0.00 -2.05 0.00 0.00 46.19 42.24 2jwe s LEU 16 CO 0.80 0.02 1.02 -0.60 -0.55 0.00 0.00 176.35 177.03 2jwe s ARG 17 N 1.23 3.60 -0.19 1.48 3.00 -1.26 -5.02 118.95 121.80 2jwe s ARG 17 Ca 0.03 0.32 -0.10 0.00 -1.00 0.00 0.00 55.73 54.98 2jwe s ARG 17 Cb -0.14 -3.93 -0.05 0.00 0.00 0.00 0.00 34.95 30.83 2jwe s ARG 17 CO -0.03 -1.31 0.13 -1.17 0.00 0.00 0.00 175.30 172.92 2jwe s LEU 18 N 4.08 4.24 0.33 -0.88 1.98 -1.26 -5.09 118.68 122.08 2jwe s LEU 18 Ca 0.42 0.27 0.03 0.00 -2.89 0.00 0.00 54.13 51.96 2jwe s LEU 18 Cb -0.09 -2.09 -0.06 0.00 0.66 0.00 0.00 46.19 44.62 2jwe s LEU 18 CO 0.29 0.22 0.07 0.00 -1.89 0.00 0.00 176.35 175.03 2jwe s ALA 19 N 0.14 2.39 0.05 5.97 0.00 -1.26 -5.10 121.76 123.95 2jwe s ALA 19 Ca 0.09 -1.88 0.03 0.00 0.00 0.00 0.00 51.96 50.20 2jwe s ALA 19 Cb -0.11 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 2jwe s ALA 19 CO -0.01 -0.33 -0.11 -1.54 0.00 0.00 0.00 175.76 173.78 2jwe s SER 20 N -3.49 1.21 0.53 0.00 1.04 -1.26 -4.96 113.70 106.76 2jwe s SER 20 Ca 0.34 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 56.23 2jwe s SER 20 Cb 0.08 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.21 2jwe s SER 20 CO 0.15 -0.15 0.27 -1.00 0.98 0.00 0.00 173.24 173.49 2jwe s HIS 21 N -1.35 1.75 -0.02 5.02 3.76 -1.26 0.28 115.29 123.47 2jwe s HIS 21 Ca -0.06 -0.86 0.03 0.00 -0.15 0.00 0.00 55.06 54.01 2jwe s HIS 21 Cb -0.10 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.77 2jwe s HIS 21 CO 0.01 -0.22 -0.10 0.42 -0.85 0.00 0.00 174.74 174.00 2jwe s ILE 22 N -2.80 0.84 0.36 0.60 -1.09 -1.26 -4.85 121.20 113.00 2jwe s ILE 22 Ca 0.25 -0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 58.24 2jwe s ILE 22 Cb -0.01 -0.74 0.01 0.00 -1.58 0.00 0.00 42.46 40.15 2jwe s ILE 22 CO 0.15 0.26 0.53 0.72 -1.23 0.00 0.00 174.94 175.37 2jwe s PHE 23 N 0.12 1.01 -0.28 3.97 -0.71 -1.26 -1.24 117.98 119.58 2jwe s PHE 23 Ca -0.02 -1.28 -0.07 0.00 -1.04 0.00 0.00 56.93 54.52 2jwe s PHE 23 Cb -0.08 0.03 -0.00 0.00 -1.21 0.00 0.00 43.02 41.75 2jwe s PHE 23 CO 0.00 -1.22 0.08 0.08 -1.34 0.00 0.00 175.22 172.82 2jwe s VAL 24 N -2.82 4.05 0.15 -2.49 1.01 -0.27 -4.84 120.40 115.18 2jwe s VAL 24 Ca 0.29 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 2jwe s VAL 24 Cb -0.01 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.36 2jwe s VAL 24 CO 0.20 0.15 1.71 0.50 0.00 0.00 0.00 175.10 177.67 2jwe h LYS 25 N 8.24 0.70 -1.91 2.72 1.63 -1.92 -1.99 116.57 124.05 2jwe h LYS 25 Ca -0.34 -0.12 0.30 0.00 -0.85 0.00 0.00 60.65 59.65 2jwe h LYS 25 Cb 1.14 -0.12 -0.09 0.00 -0.60 0.00 0.00 32.23 32.57 2jwe h LYS 25 CO 0.60 0.62 0.81 -1.83 -3.45 0.00 0.00 179.45 176.20 2jwe s GLU 26 N -5.61 0.55 0.02 1.90 4.04 -1.26 -4.56 118.70 113.78 2jwe s GLU 26 Ca -0.13 -0.34 0.05 0.00 0.04 0.00 0.00 54.97 54.59 2jwe s GLU 26 Cb 0.11 0.17 -0.02 0.00 0.02 0.00 0.00 34.13 34.41 2jwe s GLU 26 CO 0.76 -0.26 -0.14 0.42 -1.84 0.00 0.00 175.26 174.21 2jwe s ILE 27 N -2.27 1.10 0.42 1.83 1.09 -1.26 -4.97 121.20 117.14 2jwe s ILE 27 Ca 0.21 -0.84 -0.21 0.00 -1.10 0.00 0.00 60.65 58.72 2jwe s ILE 27 Cb 0.01 -0.97 -0.11 0.00 -1.06 0.00 0.00 42.46 40.34 2jwe s ILE 27 CO -0.01 0.12 0.93 -0.55 -0.10 0.00 0.00 174.94 175.33 2jwe s SER 28 N -0.82 6.94 0.36 3.58 0.15 -1.26 -5.05 113.70 117.60 2jwe s SER 28 Ca 0.03 1.66 -0.22 0.00 0.70 0.00 0.00 55.95 58.12 2jwe s SER 28 Cb -0.07 -2.53 -0.10 0.00 -1.71 0.00 0.00 66.02 61.61 2jwe s SER 28 CO 0.01 -0.33 0.91 -1.58 1.20 0.00 0.00 173.24 173.44 2jwe s GLN 29 N -3.12 4.34 -1.55 5.44 0.74 -1.26 -3.81 119.66 120.43 2jwe s GLN 29 Ca 0.61 1.13 -0.05 0.00 0.05 0.00 0.00 55.36 57.10 2jwe s GLN 29 Cb -0.09 -2.48 0.01 0.00 1.10 0.00 0.00 33.01 31.54 2jwe s GLN 29 CO 0.14 0.13 0.66 -3.47 -0.55 0.00 0.00 175.29 172.21 2jwe n ASP 30 N -0.07 -6.21 -4.86 6.67 -0.08 -1.26 -5.00 116.55 105.74 2jwe n ASP 30 Ca 0.04 -0.31 -0.29 0.00 -1.51 0.00 0.00 54.79 52.72 2jwe n ASP 30 Cb 0.52 -5.00 -0.03 0.00 2.34 0.00 0.00 41.12 38.95 2jwe n ASP 30 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2jwe s SER 31 N -2.76 4.44 0.30 1.67 0.01 -1.25 -4.99 113.70 111.12 2jwe s SER 31 Ca 0.33 -1.44 -0.01 0.00 1.31 0.00 0.00 55.95 56.14 2jwe s SER 31 Cb -0.15 0.56 0.49 0.00 0.21 0.00 0.00 66.02 67.14 2jwe s SER 31 CO 0.41 -1.06 1.94 -0.07 0.41 0.00 0.00 173.24 174.87 2jwe h LEU 32 N 0.93 0.93 -0.56 2.44 3.38 -1.94 -1.94 115.31 118.54 2jwe h LEU 32 Ca -0.39 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.44 2jwe h LEU 32 Cb 1.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2jwe h LEU 32 CO 0.63 0.63 -0.27 0.00 0.09 0.00 0.00 178.44 179.53 2jwe h ALA 33 N 1.50 0.75 -0.44 1.53 0.00 -1.96 -1.63 119.26 119.01 2jwe h ALA 33 Ca 0.35 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jwe h ALA 33 Cb 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jwe h ALA 33 CO -0.11 0.66 0.29 0.00 0.00 0.00 0.00 179.25 180.09 2jwe h ALA 34 N 0.94 0.56 -0.33 0.00 0.00 -1.58 0.22 119.26 119.06 2jwe h ALA 34 Ca 0.09 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2jwe h ALA 34 Cb 0.82 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2jwe h ALA 34 CO 0.07 0.01 -0.33 0.00 0.00 0.00 0.00 179.25 179.01 2jwe h ARG 35 N 0.59 0.81 -0.55 0.00 -0.00 -1.39 -3.15 114.38 110.68 2jwe h ARG 35 Ca 0.16 -0.42 -0.07 0.00 -0.50 0.00 0.00 59.98 59.14 2jwe h ARG 35 Cb -0.06 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 29.91 2jwe h ARG 35 CO -0.03 1.06 0.06 0.22 0.00 0.00 0.00 179.97 181.27 2jwe h ASP 36 N 0.58 0.86 -4.39 7.04 3.58 -1.06 -3.47 116.42 119.56 2jwe h ASP 36 Ca 0.05 -0.20 -0.34 0.00 0.42 0.00 0.00 57.03 56.96 2jwe h ASP 36 Cb 0.91 -0.23 0.08 0.00 1.72 0.00 0.00 39.33 41.81 2jwe h ASP 36 CO 0.08 0.89 -0.54 0.61 -2.88 0.00 0.00 179.24 177.40 2jwe n GLY 37 N -0.66 -0.33 0.53 -0.78 0.00 0.74 -4.92 105.19 99.77 2jwe n GLY 37 Ca 0.03 0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.06 1.31 -4.72 1.61 5.03 -1.25 -4.99 115.26 110.19 2jwe n ASN 38 Ca -0.05 0.21 -0.42 0.00 0.87 0.00 0.00 54.58 55.19 2jwe n ASN 38 Cb 0.58 -0.50 -0.03 0.00 -1.02 0.00 0.00 39.78 38.81 2jwe n ASN 38 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2jwe s ILE 39 N -2.39 3.31 0.11 2.41 1.09 -1.26 -5.03 121.20 119.44 2jwe s ILE 39 Ca -0.19 0.95 0.08 0.00 -1.10 0.00 0.00 60.65 60.39 2jwe s ILE 39 Cb 0.05 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.81 2jwe s ILE 39 CO 0.25 0.08 -0.20 -1.10 -0.10 0.00 0.00 174.94 173.87 2jwe s GLN 40 N 1.03 1.11 -0.10 2.79 -1.52 -1.26 -4.96 119.66 116.75 2jwe s GLN 40 Ca 0.64 -1.17 -0.29 0.00 -1.95 0.00 0.00 55.36 52.59 2jwe s GLN 40 Cb -0.37 -1.32 -0.06 0.00 -0.22 0.00 0.00 33.01 31.04 2jwe s GLN 40 CO 0.31 0.30 1.93 -1.21 -0.25 0.00 0.00 175.29 176.37 2jwe s GLU 41 N -2.01 3.79 0.00 2.91 2.02 -1.26 -1.45 118.70 122.70 2jwe s GLU 41 Ca 0.07 2.20 0.00 0.00 0.02 0.00 0.00 54.97 57.26 2jwe s GLU 41 Cb -0.09 -4.18 0.00 0.00 0.10 0.00 0.00 34.13 29.96 2jwe s GLU 41 CO 0.04 -1.34 0.00 0.41 0.02 0.00 0.00 175.26 174.39 2jwe n GLY 42 N 4.87 1.10 3.70 -1.39 0.00 -0.75 -5.05 105.19 107.67 2jwe n GLY 42 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 2.91 -4.45 1.61 9.92 -0.53 -4.68 116.55 121.34 2jwe n ASP 43 Ca 0.00 1.18 -0.43 0.00 -0.53 0.00 0.00 54.79 55.01 2jwe n ASP 43 Cb 0.00 -1.48 -0.10 0.00 -0.64 0.00 0.00 41.12 38.90 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 -0.62 5.24 -0.00 2.53 1.01 -1.26 -1.12 120.40 126.17 2jwe s VAL 44 Ca 0.61 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 2jwe s VAL 44 Cb -0.59 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 2jwe s VAL 44 CO 0.56 -0.35 0.68 -0.69 0.00 0.00 0.00 175.10 175.30 2jwe s VAL 45 N 1.67 4.88 -0.24 2.92 1.01 -0.38 -2.64 120.40 127.62 2jwe s VAL 45 Ca 0.05 1.42 -0.01 0.00 0.00 0.00 0.00 61.98 63.44 2jwe s VAL 45 Cb -0.20 -4.02 -0.18 0.00 0.00 0.00 0.00 36.38 31.98 2jwe s VAL 45 CO 0.09 0.36 -0.17 -0.11 0.00 0.00 0.00 175.10 175.28 2jwe n LEU 46 N 3.02 2.82 -4.17 3.92 0.00 0.10 -4.18 117.00 118.51 2jwe n LEU 46 Ca -0.04 -0.04 -0.14 0.00 0.00 0.00 0.00 56.01 55.79 2jwe n LEU 46 Cb 0.51 -0.93 -0.11 0.00 0.00 0.00 0.00 43.42 42.89 2jwe n LEU 46 CO 0.46 0.88 -0.41 -0.54 0.00 0.00 0.00 177.39 177.78 2jwe s LYS 47 N -2.52 0.83 -0.04 1.96 1.02 -1.20 -2.69 119.74 117.10 2jwe s LYS 47 Ca -0.34 -1.17 -0.02 0.00 0.02 0.00 0.00 55.97 54.47 2jwe s LYS 47 Cb 0.09 -0.47 0.03 0.00 -0.52 0.00 0.00 37.83 36.96 2jwe s LYS 47 CO 0.61 0.07 0.05 0.42 -0.92 0.00 0.00 175.35 175.57 2jwe s ILE 48 N -2.57 -0.01 -1.61 2.17 1.01 0.20 -1.03 121.20 119.36 2jwe s ILE 48 Ca 0.06 0.35 -0.01 0.00 0.00 0.00 0.00 60.65 61.05 2jwe s ILE 48 Cb -0.02 -0.22 0.00 0.00 0.01 0.00 0.00 42.46 42.24 2jwe s ILE 48 CO -0.01 0.19 0.13 -3.20 0.00 0.00 0.00 174.94 172.06 2jwe n ASN 49 N 5.17 -5.58 -0.15 3.58 2.85 0.23 -2.11 115.26 119.25 2jwe n ASN 49 Ca -0.06 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 2jwe n ASN 49 Cb 0.50 -4.62 0.00 0.00 1.24 0.00 0.00 39.78 36.90 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 -1.09 0.73 3.34 8.20 0.00 -1.26 -5.01 105.19 110.10 2jwe n GLY 50 Ca -0.20 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.31 -0.02 0.28 2.61 2.01 -0.90 -5.15 115.64 112.17 2jwe s THR 51 Ca 0.00 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 2jwe s THR 51 Cb 0.00 -0.67 -0.10 0.00 0.01 0.00 0.00 72.50 71.74 2jwe s THR 51 CO 0.00 0.03 1.12 -0.69 -0.69 0.00 0.00 174.62 174.38 2jwe s VAL 52 N 1.24 3.43 -0.17 3.82 1.01 -1.26 0.61 120.40 129.07 2jwe s VAL 52 Ca -0.08 1.43 0.17 0.00 0.00 0.00 0.00 61.98 63.51 2jwe s VAL 52 Cb -0.07 -3.91 0.43 0.00 0.00 0.00 0.00 36.38 32.83 2jwe s VAL 52 CO -0.12 0.34 1.31 0.35 0.00 0.00 0.00 175.10 176.99 2jwe n THR 53 N 1.18 2.10 -2.57 3.92 -2.24 -1.10 -4.90 114.28 110.67 2jwe n THR 53 Ca -0.01 -2.00 -0.40 0.00 -2.27 0.00 0.00 64.05 59.37 2jwe n THR 53 Cb 0.45 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.79 4.72 -1.46 -0.78 2.12 -1.26 -3.12 118.70 116.13 2jwe s GLU 54 Ca 0.38 1.69 0.00 0.00 0.36 0.00 0.00 54.97 57.40 2jwe s GLU 54 Cb 0.31 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.48 2jwe s GLU 54 CO 0.07 0.32 0.00 0.09 -0.54 0.00 0.00 175.26 175.20 2jwe n ASN 55 N 1.29 -5.18 -4.85 -1.70 3.02 0.14 -4.95 115.26 103.03 2jwe n ASN 55 Ca -0.01 0.34 -0.22 0.00 -0.03 0.00 0.00 54.58 54.66 2jwe n ASN 55 Cb 0.46 -3.89 -0.04 0.00 -0.61 0.00 0.00 39.78 35.69 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 -3.09 3.00 0.30 3.52 1.75 -1.18 -4.81 119.30 118.79 2jwe s MET 56 Ca 0.00 -1.01 -0.29 0.00 -1.25 0.00 0.00 55.69 53.13 2jwe s MET 56 Cb 0.00 -2.61 -0.10 0.00 2.84 0.00 0.00 34.83 34.95 2jwe s MET 56 CO 0.00 0.40 1.41 0.45 -0.65 0.00 0.00 175.02 176.63 2jwe s SER 57 N -3.87 6.64 0.40 1.11 0.15 -1.26 -4.89 113.70 111.98 2jwe s SER 57 Ca 0.33 2.74 0.13 0.00 0.70 0.00 0.00 55.95 59.85 2jwe s SER 57 Cb -0.08 -2.64 0.97 0.00 -1.71 0.00 0.00 66.02 62.56 2jwe s SER 57 CO 0.26 -0.68 1.91 0.25 1.20 0.00 0.00 173.24 176.18 2jwe h LEU 58 N 4.19 0.48 -0.85 3.45 5.85 -1.97 -0.05 115.31 126.40 2jwe h LEU 58 Ca -0.48 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 2jwe h LEU 58 Cb 1.22 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 2jwe h LEU 58 CO 0.72 0.25 0.29 0.74 -0.34 0.00 0.00 178.44 180.10 2jwe h THR 59 N 0.51 1.25 -0.48 1.05 2.02 -2.01 -2.83 112.91 112.43 2jwe h THR 59 Ca 0.39 -0.82 0.02 0.00 0.77 0.00 0.00 66.41 66.77 2jwe h THR 59 Cb 0.77 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 2jwe h THR 59 CO -0.14 0.33 0.28 -0.78 0.37 0.00 0.00 175.52 175.58 2jwe h ASP 60 N 1.10 0.46 -0.94 4.18 1.82 -1.37 -2.03 116.42 119.64 2jwe h ASP 60 Ca 0.25 0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.98 2jwe h ASP 60 Cb 0.22 -0.09 -0.07 0.00 0.68 0.00 0.00 39.33 40.07 2jwe h ASP 60 CO -0.02 0.33 0.61 0.00 -1.61 0.00 0.00 179.24 178.55 2jwe h ALA 61 N 1.21 1.52 -0.69 -0.78 0.00 -1.33 -1.19 119.26 118.00 2jwe h ALA 61 Ca 0.19 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2jwe h ALA 61 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2jwe h ALA 61 CO -0.08 0.32 0.23 0.87 0.00 0.00 0.00 179.25 180.58 2jwe h LYS 62 N 1.03 1.05 -0.72 0.00 1.79 -1.22 -2.82 116.57 115.69 2jwe h LYS 62 Ca 0.42 -0.21 0.04 0.00 -2.18 0.00 0.00 60.65 58.73 2jwe h LYS 62 Cb 0.28 -0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 30.72 2jwe h LYS 62 CO -0.18 0.89 0.44 1.15 -1.08 0.00 0.00 179.45 180.67 2jwe h THR 63 N 1.02 1.05 -0.87 -0.16 2.02 -0.68 -0.58 112.91 114.70 2jwe h THR 63 Ca 0.23 -0.28 0.11 0.00 0.77 0.00 0.00 66.41 67.23 2jwe h THR 63 Cb 0.27 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 66.76 2jwe h THR 63 CO -0.01 0.15 0.57 -0.07 0.37 0.00 0.00 175.52 176.53 2jwe h LEU 64 N 0.83 0.74 -0.38 2.58 3.38 -1.24 0.41 115.31 121.63 2jwe h LEU 64 Ca 0.30 0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.12 2jwe h LEU 64 Cb 0.09 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2jwe h LEU 64 CO -0.14 0.42 -0.81 0.40 0.09 0.00 0.00 178.44 178.40 2jwe h ILE 65 N 0.81 1.54 -0.10 1.22 2.04 -1.26 -2.89 117.51 118.87 2jwe h ILE 65 Ca 0.41 -2.67 -0.01 0.00 1.00 0.00 0.00 64.86 63.59 2jwe h ILE 65 Cb 0.49 2.46 -0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2jwe h ILE 65 CO -0.18 0.77 0.01 -0.33 0.00 0.00 0.00 178.15 178.42 2jwe h GLU 66 N 0.04 0.16 0.00 2.37 5.08 0.54 -2.92 114.58 119.84 2jwe h GLU 66 Ca -0.02 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2jwe h GLU 66 Cb 1.43 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 2jwe h GLU 66 CO 0.11 0.39 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.17 2jwe h ARG 67 N -0.09 0.00 -5.69 2.33 2.43 -1.25 -3.40 114.38 108.71 2jwe h ARG 67 Ca 0.03 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.86 2jwe h ARG 67 Cb 0.31 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2jwe h ARG 67 CO 0.00 0.25 1.00 -1.12 -1.51 0.00 0.00 179.97 178.59 2jwe s SER 68 N -6.80 4.74 -0.40 -3.80 0.01 -1.09 -4.79 113.70 101.56 2jwe s SER 68 Ca -0.03 0.21 0.06 0.00 1.31 0.00 0.00 55.95 57.50 2jwe s SER 68 Cb 0.15 -2.53 0.43 0.00 0.21 0.00 0.00 66.02 64.27 2jwe s SER 68 CO 0.69 -2.91 1.12 0.29 0.41 0.00 0.00 173.24 172.84 2jwe n LYS 69 N 8.99 3.40 0.02 12.44 5.02 -1.26 -4.84 118.16 141.93 2jwe n LYS 69 Ca 0.35 -4.40 0.00 0.00 -2.02 0.00 0.00 58.31 52.24 2jwe n LYS 69 Cb 0.50 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 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 -0.52 -1.62 2.74 0.72 0.00 -1.26 -5.13 105.19 100.12 2jwe n GLY 70 Ca 0.39 0.62 -0.20 0.00 0.00 0.00 0.00 46.02 46.84 2jwe n GLY 70 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jwe s LYS 71 N -1.77 0.21 -0.10 1.61 2.20 -1.26 -5.14 119.74 115.49 2jwe s LYS 71 Ca 0.00 0.21 -0.01 0.00 -0.36 0.00 0.00 55.97 55.81 2jwe s LYS 71 Cb 0.00 -0.61 -0.03 0.00 -1.51 0.00 0.00 37.83 35.68 2jwe s LYS 71 CO 0.00 -0.26 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.52 2jwe s LEU 72 N 1.74 3.32 -0.05 5.43 0.20 -1.26 -4.95 118.68 123.11 2jwe s LEU 72 Ca 0.00 0.00 0.04 0.00 0.69 0.00 0.00 54.13 54.86 2jwe s LEU 72 Cb -0.13 -1.76 -0.00 0.00 -0.43 0.00 0.00 46.19 43.88 2jwe s LEU 72 CO -0.03 0.31 -0.18 -0.54 -0.29 0.00 0.00 176.35 175.62 2jwe s LYS 73 N -0.50 1.94 0.04 1.98 1.02 -1.26 -5.01 119.74 117.94 2jwe s LYS 73 Ca 0.08 -0.63 0.02 0.00 0.02 0.00 0.00 55.97 55.46 2jwe s LYS 73 Cb -0.12 -1.64 -0.02 0.00 -0.52 0.00 0.00 37.83 35.53 2jwe s LYS 73 CO 0.02 0.22 -0.06 -1.64 -0.92 0.00 0.00 175.35 172.97 2jwe s MET 74 N 0.14 0.47 -0.23 1.68 -1.94 -1.26 0.78 119.30 118.93 2jwe s MET 74 Ca -0.07 -0.73 0.02 0.00 -1.71 0.00 0.00 55.69 53.20 2jwe s MET 74 Cb -0.13 -0.17 0.05 0.00 2.01 0.00 0.00 34.83 36.59 2jwe s MET 74 CO 0.03 0.02 -0.12 0.08 -0.01 0.00 0.00 175.02 175.02 2jwe s VAL 75 N -1.48 1.98 0.23 -6.03 1.01 -0.19 -4.99 120.40 110.92 2jwe s VAL 75 Ca -0.11 -1.35 0.05 0.00 0.00 0.00 0.00 61.98 60.57 2jwe s VAL 75 Cb -0.09 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2jwe s VAL 75 CO -0.00 0.10 0.31 -0.69 0.00 0.00 0.00 175.10 174.81 2jwe s VAL 76 N 1.22 5.05 0.03 2.92 1.01 -1.26 0.01 120.40 129.39 2jwe s VAL 76 Ca -0.05 -1.06 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 2jwe s VAL 76 Cb -0.18 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 2jwe s VAL 76 CO -0.07 -0.30 0.42 -1.58 0.00 0.00 0.00 175.10 173.57 2jwe s GLN 77 N -3.84 3.90 0.33 2.72 2.00 -1.08 -4.90 119.66 118.79 2jwe s GLN 77 Ca 0.34 0.38 0.10 0.00 -2.00 0.00 0.00 55.36 54.17 2jwe s GLN 77 Cb -0.09 -3.15 -0.06 0.00 0.80 0.00 0.00 33.01 30.51 2jwe s GLN 77 CO 0.28 0.65 -0.07 -0.98 -0.50 0.00 0.00 175.29 174.67 2jwe s ARG 78 N -1.31 1.91 -0.24 1.67 3.03 -1.26 -4.86 118.95 117.89 2jwe s ARG 78 Ca 0.27 -1.82 -0.00 0.00 2.03 0.00 0.00 55.73 56.20 2jwe s ARG 78 Cb -0.16 -1.81 0.00 0.00 -1.03 0.00 0.00 34.95 31.95 2jwe s ARG 78 CO 0.15 0.18 0.01 -3.47 -1.13 0.00 0.00 175.30 171.03 2jwe n ASP 79 N -0.83 -6.59 -0.07 -2.89 -0.08 -1.26 -4.95 116.55 99.88 2jwe n ASP 79 Ca -0.05 1.14 -0.15 0.00 -1.51 0.00 0.00 54.79 54.22 2jwe n ASP 79 Cb 0.62 -4.46 -0.05 0.00 2.34 0.00 0.00 41.12 39.58 2jwe n ASP 79 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2jwe h GLU 80 N 2.46 0.87 -6.99 -0.67 4.57 -2.07 -3.44 114.58 109.31 2jwe h GLU 80 Ca -0.02 -0.58 -0.51 0.00 -1.18 0.00 0.00 59.36 57.08 2jwe h GLU 80 Cb 0.04 0.08 0.06 0.00 -0.16 0.00 0.00 28.75 28.77 2jwe h GLU 80 CO 0.08 1.21 0.50 -0.48 -1.18 0.00 0.00 179.01 179.13 2jwe s LEU 81 N -8.65 4.06 0.00 1.64 0.05 -1.26 -5.30 118.68 109.22 2jwe s LEU 81 Ca -0.11 2.34 0.06 0.00 0.05 0.00 0.00 54.13 56.47 2jwe s LEU 81 Cb 0.10 -4.18 0.05 0.00 -2.05 0.00 0.00 46.19 40.11 2jwe s LEU 81 CO 0.90 -0.88 0.69 1.21 -0.55 0.00 0.00 176.35 177.72