#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 4.65 -0.14 -0.78 -2.85 -1.26 -5.04 119.74 114.31 2jwe s LYS 2 Ca 0.00 1.73 0.01 0.00 -1.00 0.00 0.00 55.97 56.70 2jwe s LYS 2 Cb 0.00 -3.24 -0.00 0.00 -2.06 0.00 0.00 37.83 32.53 2jwe s LYS 2 CO 0.00 0.19 -0.16 0.08 0.10 0.00 0.00 175.35 175.56 2jwe s VAL 3 N -0.76 2.69 -0.18 1.79 1.01 -1.26 -5.10 120.40 118.59 2jwe s VAL 3 Ca 0.46 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 2jwe s VAL 3 Cb -0.30 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.00 2jwe s VAL 3 CO 0.37 0.52 -0.06 -0.89 0.00 0.00 0.00 175.10 175.05 2jwe s THR 4 N 0.63 1.19 0.14 3.92 2.01 -1.26 -5.13 115.64 117.14 2jwe s THR 4 Ca -0.09 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.26 2jwe s THR 4 Cb -0.16 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 2jwe s THR 4 CO 0.03 0.10 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.30 2jwe s LEU 5 N 1.59 3.35 -0.35 4.42 2.01 -1.26 -5.10 118.68 123.34 2jwe s LEU 5 Ca -0.00 -0.32 0.04 0.00 0.01 0.00 0.00 54.13 53.86 2jwe s LEU 5 Cb -0.16 -2.04 0.10 0.00 0.01 0.00 0.00 46.19 44.10 2jwe s LEU 5 CO -0.08 0.12 0.07 -0.69 1.01 0.00 0.00 176.35 176.78 2jwe s VAL 6 N -1.56 2.33 0.11 -1.59 1.01 -1.26 -5.10 120.40 114.34 2jwe s VAL 6 Ca 0.26 -2.40 -0.30 0.00 0.00 0.00 0.00 61.98 59.55 2jwe s VAL 6 Cb -0.10 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 2jwe s VAL 6 CO 0.18 -0.61 1.15 -0.75 0.00 0.00 0.00 175.10 175.07 2jwe s LYS 7 N 0.84 4.50 0.00 2.72 2.20 -1.26 -5.04 119.74 123.70 2jwe s LYS 7 Ca 0.11 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.46 2jwe s LYS 7 Cb -0.19 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 2jwe s LYS 7 CO -0.07 -0.11 0.00 -1.13 -0.36 0.00 0.00 175.35 173.67 2jwe n SER 8 N 3.24 0.00 -3.25 1.43 3.41 -1.26 -5.12 113.62 112.07 2jwe n SER 8 Ca 0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.44 2jwe n SER 8 Cb 0.46 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.62 2jwe n SER 8 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2jwe n ARG 9 N 0.00 -3.19 -1.17 4.33 0.63 -1.26 -4.83 116.66 111.18 2jwe n ARG 9 Ca 0.00 -1.25 -0.31 0.00 -0.92 0.00 0.00 57.85 55.37 2jwe n ARG 9 Cb 0.00 -1.31 -0.06 0.00 0.45 0.00 0.00 32.46 31.54 2jwe n ARG 9 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2jwe n LYS 10 N -4.34 3.12 0.00 -0.14 4.81 -1.26 -3.52 118.16 116.83 2jwe n LYS 10 Ca 0.11 -1.83 0.00 0.00 -0.87 0.00 0.00 58.31 55.72 2jwe n LYS 10 Cb 0.45 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.93 2jwe n LYS 10 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2jwe n ASN 11 N 3.40 0.00 -3.99 3.14 2.85 -1.26 -5.01 115.26 114.38 2jwe n ASN 11 Ca 0.67 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.82 2jwe n ASN 11 Cb 0.37 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.26 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 -1.00 2.10 0.97 1.20 0.41 -1.23 -5.10 118.70 116.05 2jwe s GLU 12 Ca 0.00 -2.55 -0.13 0.00 -0.41 0.00 0.00 54.97 51.88 2jwe s GLU 12 Cb 0.00 -3.42 0.17 0.00 -1.78 0.00 0.00 34.13 29.10 2jwe s GLU 12 CO 0.00 -1.12 1.14 -1.83 -0.49 0.00 0.00 175.26 172.96 2jwe s GLU 13 N -0.15 0.62 0.25 1.61 -1.05 -1.26 -4.26 118.70 114.46 2jwe s GLU 13 Ca 0.17 0.23 -0.05 0.00 -0.15 0.00 0.00 54.97 55.17 2jwe s GLU 13 Cb -0.24 -1.78 0.33 0.00 -0.44 0.00 0.00 34.13 32.00 2jwe s GLU 13 CO -0.01 -2.54 1.88 1.88 0.95 0.00 0.00 175.26 177.42 2jwe h TYR 14 N -1.74 1.12 -3.76 4.83 0.05 -1.99 -3.47 116.97 112.00 2jwe h TYR 14 Ca -0.50 0.03 -0.21 0.00 0.05 0.00 0.00 58.73 58.10 2jwe h TYR 14 Cb 1.32 -0.37 0.08 0.00 1.01 0.00 0.00 36.73 38.77 2jwe h TYR 14 CO -0.13 0.61 -0.39 0.41 -1.05 0.00 0.00 178.16 177.61 2jwe n GLY 15 N -1.35 0.09 2.98 3.88 0.00 -1.26 -5.04 105.19 104.49 2jwe n GLY 15 Ca 0.13 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.46 1.46 -0.34 0.99 0.05 -1.26 -5.11 118.68 110.01 2jwe s LEU 16 Ca 0.24 -0.33 -0.28 0.00 0.05 0.00 0.00 54.13 53.82 2jwe s LEU 16 Cb -0.11 -0.88 0.02 0.00 -2.05 0.00 0.00 46.19 43.16 2jwe s LEU 16 CO 0.40 -0.04 1.01 -0.13 -0.55 0.00 0.00 176.35 177.04 2jwe s ARG 17 N 1.20 3.98 -0.02 1.48 1.81 -1.26 -5.03 118.95 121.11 2jwe s ARG 17 Ca -0.04 0.87 -0.14 0.00 -1.72 0.00 0.00 55.73 54.70 2jwe s ARG 17 Cb -0.14 -3.76 -0.05 0.00 -0.45 0.00 0.00 34.95 30.54 2jwe s ARG 17 CO -0.03 -0.92 0.38 -1.17 -0.68 0.00 0.00 175.30 172.88 2jwe s LEU 18 N 3.58 4.46 0.23 2.53 1.98 -1.26 -5.09 118.68 125.12 2jwe s LEU 18 Ca 0.42 0.90 0.01 0.00 -2.89 0.00 0.00 54.13 52.57 2jwe s LEU 18 Cb -0.12 -2.53 -0.04 0.00 0.66 0.00 0.00 46.19 44.16 2jwe s LEU 18 CO 0.17 0.32 0.18 0.00 -1.89 0.00 0.00 176.35 175.13 2jwe s ALA 19 N -1.00 1.29 0.03 5.97 0.00 -1.26 -5.07 121.76 121.73 2jwe s ALA 19 Ca 0.23 -1.77 0.04 0.00 0.00 0.00 0.00 51.96 50.46 2jwe s ALA 19 Cb -0.16 1.40 -0.02 0.00 0.00 0.00 0.00 23.12 24.34 2jwe s ALA 19 CO 0.12 -0.62 -0.11 -1.54 0.00 0.00 0.00 175.76 173.61 2jwe s SER 20 N -3.21 1.34 0.51 0.00 1.04 -1.26 -4.93 113.70 107.19 2jwe s SER 20 Ca 0.39 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.42 2jwe s SER 20 Cb 0.06 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 2jwe s SER 20 CO 0.16 -0.01 0.09 -1.00 0.98 0.00 0.00 173.24 173.46 2jwe s HIS 21 N -0.84 1.86 0.00 5.02 3.76 -1.26 -0.66 115.29 123.17 2jwe s HIS 21 Ca -0.01 -0.91 0.03 0.00 -0.15 0.00 0.00 55.06 54.03 2jwe s HIS 21 Cb -0.07 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 31.91 2jwe s HIS 21 CO 0.01 0.09 -0.11 0.42 -0.85 0.00 0.00 174.74 174.30 2jwe s ILE 22 N -2.84 0.85 0.35 0.60 -1.09 -1.24 -4.93 121.20 112.90 2jwe s ILE 22 Ca 0.14 -0.58 -0.04 0.00 -2.23 0.00 0.00 60.65 57.94 2jwe s ILE 22 Cb 0.01 -0.74 0.01 0.00 -1.58 0.00 0.00 42.46 40.17 2jwe s ILE 22 CO 0.08 0.15 0.52 0.72 -1.23 0.00 0.00 174.94 175.18 2jwe s PHE 23 N -0.42 0.94 -0.23 3.97 -0.71 -1.26 -0.72 117.98 119.55 2jwe s PHE 23 Ca 0.03 -1.23 -0.09 0.00 -1.04 0.00 0.00 56.93 54.60 2jwe s PHE 23 Cb -0.05 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 2jwe s PHE 23 CO -0.00 -1.20 0.11 0.08 -1.34 0.00 0.00 175.22 172.88 2jwe s VAL 24 N -2.95 4.94 0.09 -2.49 1.01 0.29 -4.81 120.40 116.48 2jwe s VAL 24 Ca 0.28 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 2jwe s VAL 24 Cb -0.01 -3.29 -0.26 0.00 0.00 0.00 0.00 36.38 32.82 2jwe s VAL 24 CO 0.19 0.37 1.17 0.50 0.00 0.00 0.00 175.10 177.33 2jwe h LYS 25 N 7.53 0.40 -1.73 2.72 1.63 -1.89 -0.08 116.57 125.15 2jwe h LYS 25 Ca -0.37 -0.57 0.29 0.00 -0.85 0.00 0.00 60.65 59.15 2jwe h LYS 25 Cb 1.17 0.19 -0.10 0.00 -0.60 0.00 0.00 32.23 32.89 2jwe h LYS 25 CO 0.64 1.23 0.75 -1.21 -3.45 0.00 0.00 179.45 177.41 2jwe s GLU 26 N -2.90 0.61 0.09 1.90 2.02 -1.26 -4.61 118.70 114.54 2jwe s GLU 26 Ca -0.06 -0.35 0.09 0.00 0.02 0.00 0.00 54.97 54.68 2jwe s GLU 26 Cb 0.07 0.20 -0.03 0.00 0.10 0.00 0.00 34.13 34.47 2jwe s GLU 26 CO 0.89 -0.28 -0.25 0.42 0.02 0.00 0.00 175.26 176.07 2jwe s ILE 27 N -2.57 2.02 0.22 -1.63 -1.09 -1.26 -4.87 121.20 112.03 2jwe s ILE 27 Ca 0.15 -1.52 -0.11 0.00 -2.23 0.00 0.00 60.65 56.94 2jwe s ILE 27 Cb 0.03 -1.77 -0.07 0.00 -1.58 0.00 0.00 42.46 39.06 2jwe s ILE 27 CO -0.02 0.16 0.57 -0.55 -1.23 0.00 0.00 174.94 173.87 2jwe s SER 28 N -1.64 6.69 0.30 3.58 0.15 -1.26 -5.07 113.70 116.44 2jwe s SER 28 Ca 0.11 1.00 -0.21 0.00 0.70 0.00 0.00 55.95 57.54 2jwe s SER 28 Cb -0.10 -2.26 -0.09 0.00 -1.71 0.00 0.00 66.02 61.86 2jwe s SER 28 CO 0.04 -0.04 0.83 -1.10 1.20 0.00 0.00 173.24 174.16 2jwe s GLN 29 N -2.63 4.31 -1.53 5.44 1.11 -1.26 -3.78 119.66 121.33 2jwe s GLN 29 Ca 0.46 1.02 -0.04 0.00 0.01 0.00 0.00 55.36 56.81 2jwe s GLN 29 Cb -0.12 -2.68 0.01 0.00 -1.01 0.00 0.00 33.01 29.22 2jwe s GLN 29 CO 0.20 0.26 0.47 -3.47 0.01 0.00 0.00 175.29 172.76 2jwe n ASP 30 N 0.29 -5.65 -4.57 5.90 -0.08 -1.26 -4.98 116.55 106.20 2jwe n ASP 30 Ca 0.01 -0.23 -0.27 0.00 -1.51 0.00 0.00 54.79 52.79 2jwe n ASP 30 Cb 0.52 -4.60 -0.03 0.00 2.34 0.00 0.00 41.12 39.35 2jwe n ASP 30 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2jwe n SER 31 N -2.38 2.91 -0.33 1.67 3.41 -1.25 -4.99 113.62 112.66 2jwe n SER 31 Ca -0.12 -2.89 -0.03 0.00 -0.26 0.00 0.00 58.87 55.57 2jwe n SER 31 Cb 0.62 0.11 0.09 0.00 -0.26 0.00 0.00 64.21 64.77 2jwe n SER 31 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2jwe h LEU 32 N 0.00 1.03 -0.58 1.04 3.38 -1.94 -1.18 115.31 117.06 2jwe h LEU 32 Ca -0.35 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.61 2jwe h LEU 32 Cb 1.18 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 2jwe h LEU 32 CO 0.57 0.76 0.34 0.00 0.09 0.00 0.00 178.44 180.20 2jwe h ALA 33 N 1.32 0.76 -0.26 1.53 0.00 -1.94 0.52 119.26 121.18 2jwe h ALA 33 Ca 0.32 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 2jwe h ALA 33 Cb -0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2jwe h ALA 33 CO -0.07 0.05 -0.34 0.00 0.00 0.00 0.00 179.25 178.89 2jwe h ALA 34 N 1.27 0.91 -0.14 0.00 0.00 -1.68 0.21 119.26 119.82 2jwe h ALA 34 Ca 0.24 -0.41 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 2jwe h ALA 34 Cb 0.06 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jwe h ALA 34 CO -0.12 0.62 -0.81 -0.09 0.00 0.00 0.00 179.25 178.85 2jwe h ARG 35 N 0.48 0.79 0.04 0.00 2.43 -0.65 -3.28 114.38 114.19 2jwe h ARG 35 Ca 0.05 -0.66 -0.24 0.00 -0.81 0.00 0.00 59.98 58.32 2jwe h ARG 35 Cb 0.83 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2jwe h ARG 35 CO 0.07 1.26 -1.03 -0.44 -1.51 0.00 0.00 179.97 178.32 2jwe h ASP 36 N 0.53 0.48 -4.48 -3.80 3.32 0.08 -3.49 116.42 109.06 2jwe h ASP 36 Ca -0.06 -0.42 -0.23 0.00 0.02 0.00 0.00 57.03 56.34 2jwe h ASP 36 Cb 1.44 -0.15 0.11 0.00 0.22 0.00 0.00 39.33 40.96 2jwe h ASP 36 CO 0.17 1.25 -0.52 0.61 -1.72 0.00 0.00 179.24 179.02 2jwe n GLY 37 N 1.12 -0.10 0.90 2.75 0.00 0.72 -4.96 105.19 105.62 2jwe n GLY 37 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.38 0.86 -4.79 1.61 3.02 -1.25 -5.07 115.26 107.27 2jwe n ASN 38 Ca -0.18 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 53.98 2jwe n ASN 38 Cb 0.61 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.72 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 -1.90 4.48 0.22 2.41 1.09 -1.26 -5.08 121.20 121.17 2jwe s ILE 39 Ca 0.00 1.53 0.00 0.00 -1.10 0.00 0.00 60.65 61.08 2jwe s ILE 39 Cb 0.00 -4.03 -0.05 0.00 -1.06 0.00 0.00 42.46 37.32 2jwe s ILE 39 CO 0.00 0.46 0.10 -1.10 -0.10 0.00 0.00 174.94 174.30 2jwe s GLN 40 N -1.32 1.28 -0.17 2.79 -0.21 -1.26 -4.86 119.66 115.91 2jwe s GLN 40 Ca 0.36 -1.68 -0.29 0.00 0.02 0.00 0.00 55.36 53.77 2jwe s GLN 40 Cb -0.21 -0.05 -0.02 0.00 1.00 0.00 0.00 33.01 33.73 2jwe s GLN 40 CO 0.24 -0.31 1.40 -1.21 -2.12 0.00 0.00 175.29 173.29 2jwe s GLU 41 N -4.07 4.11 0.00 2.91 2.02 -1.26 -2.66 118.70 119.75 2jwe s GLU 41 Ca 0.36 1.70 0.00 0.00 0.02 0.00 0.00 54.97 57.06 2jwe s GLU 41 Cb 0.07 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.44 2jwe s GLU 41 CO 0.11 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 174.92 2jwe n GLY 42 N 3.98 0.36 3.71 -1.39 0.00 -0.04 -5.01 105.19 106.81 2jwe n GLY 42 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2jwe n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jwe n ASP 43 N 0.00 2.93 -4.32 1.61 -0.08 -1.09 -4.53 116.55 111.08 2jwe n ASP 43 Ca 0.00 1.21 -0.42 0.00 -1.51 0.00 0.00 54.79 54.08 2jwe n ASP 43 Cb 0.00 -1.51 -0.09 0.00 2.34 0.00 0.00 41.12 41.86 2jwe n ASP 43 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2jwe s VAL 44 N -1.10 4.58 -0.00 5.18 1.01 -1.26 0.10 120.40 128.91 2jwe s VAL 44 Ca 0.55 -1.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 2jwe s VAL 44 Cb -0.55 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2jwe s VAL 44 CO 0.63 -0.50 0.71 -0.69 0.00 0.00 0.00 175.10 175.25 2jwe s VAL 45 N 1.51 4.87 -0.06 2.92 1.01 0.10 -1.93 120.40 128.82 2jwe s VAL 45 Ca 0.03 1.49 0.01 0.00 0.00 0.00 0.00 61.98 63.51 2jwe s VAL 45 Cb -0.23 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2jwe s VAL 45 CO 0.04 0.34 0.10 0.00 0.00 0.00 0.00 175.10 175.58 2jwe n LEU 46 N 3.10 0.16 -3.69 3.92 -0.00 0.72 -3.68 117.00 117.53 2jwe n LEU 46 Ca -0.03 -0.56 -0.14 0.00 -0.00 0.00 0.00 56.01 55.28 2jwe n LEU 46 Cb 0.51 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.84 2jwe n LEU 46 CO 0.46 0.04 0.18 -0.54 -0.00 0.00 0.00 177.39 177.54 2jwe s LYS 47 N -0.98 0.69 -0.09 1.47 1.02 -1.05 -2.96 119.74 117.84 2jwe s LYS 47 Ca 0.00 0.38 -0.02 0.00 0.02 0.00 0.00 55.97 56.36 2jwe s LYS 47 Cb 0.01 0.32 0.03 0.00 -0.52 0.00 0.00 37.83 37.67 2jwe s LYS 47 CO 0.04 -0.14 0.00 0.42 -0.92 0.00 0.00 175.35 174.75 2jwe s ILE 48 N -0.41 0.41 -1.49 2.17 1.01 1.00 0.37 121.20 124.26 2jwe s ILE 48 Ca -0.05 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 2jwe s ILE 48 Cb -0.03 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 41.85 2jwe s ILE 48 CO 0.03 0.20 0.52 0.59 0.00 0.00 0.00 174.94 176.29 2jwe n ASN 49 N 5.13 -5.45 -0.51 3.58 3.02 0.16 -1.99 115.26 119.20 2jwe n ASN 49 Ca -0.07 -0.28 -0.02 0.00 -0.03 0.00 0.00 54.58 54.18 2jwe n ASN 49 Cb 0.50 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 2jwe n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jwe n GLY 50 N -1.38 0.65 3.01 7.41 0.00 -1.26 -5.04 105.19 108.58 2jwe n GLY 50 Ca -0.10 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.67 -0.19 0.19 2.61 2.01 -0.84 -5.14 115.64 111.61 2jwe s THR 51 Ca 0.03 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 2jwe s THR 51 Cb -0.01 -0.39 -0.08 0.00 0.01 0.00 0.00 72.50 72.03 2jwe s THR 51 CO 0.03 0.09 1.26 -0.69 -0.69 0.00 0.00 174.62 174.63 2jwe s VAL 52 N 1.76 3.36 -0.38 3.82 1.01 -1.26 -0.00 120.40 128.71 2jwe s VAL 52 Ca -0.04 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.12 2jwe s VAL 52 Cb -0.11 -3.72 0.47 0.00 0.00 0.00 0.00 36.38 33.02 2jwe s VAL 52 CO -0.08 0.17 1.47 0.35 0.00 0.00 0.00 175.10 177.01 2jwe n THR 53 N 2.61 2.80 -3.63 3.92 -2.24 -1.15 -4.93 114.28 111.67 2jwe n THR 53 Ca 0.06 -3.52 -0.36 0.00 -2.27 0.00 0.00 64.05 57.96 2jwe n THR 53 Cb 0.44 -0.92 -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 -1.61 -0.57 0.00 0.00 175.07 172.89 2jwe s GLU 54 N -3.56 3.73 0.00 -0.78 8.01 -1.26 -4.07 118.70 120.76 2jwe s GLU 54 Ca 0.53 0.14 0.00 0.00 0.01 0.00 0.00 54.97 55.65 2jwe s GLU 54 Cb 0.43 -3.08 0.00 0.00 -4.31 0.00 0.00 34.13 27.17 2jwe s GLU 54 CO 0.01 0.63 0.00 0.09 0.01 0.00 0.00 175.26 176.00 2jwe n ASN 55 N 1.24 -4.85 -4.97 -0.19 4.13 0.17 -4.92 115.26 105.87 2jwe n ASN 55 Ca -0.11 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 55.95 2jwe n ASN 55 Cb 0.53 -2.40 -0.01 0.00 -1.54 0.00 0.00 39.78 36.36 2jwe n ASN 55 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 2jwe s MET 56 N -1.26 3.23 0.44 3.52 1.75 -1.26 -4.84 119.30 120.87 2jwe s MET 56 Ca 0.00 -0.92 -0.23 0.00 -1.25 0.00 0.00 55.69 53.29 2jwe s MET 56 Cb 0.00 -2.82 -0.08 0.00 2.84 0.00 0.00 34.83 34.76 2jwe s MET 56 CO 0.00 0.24 1.07 -1.12 -0.65 0.00 0.00 175.02 174.56 2jwe s SER 57 N -4.07 6.51 0.50 1.11 0.01 -1.26 -4.92 113.70 111.58 2jwe s SER 57 Ca 0.40 2.07 0.22 0.00 1.31 0.00 0.00 55.95 59.94 2jwe s SER 57 Cb -0.09 -2.58 1.29 0.00 0.21 0.00 0.00 66.02 64.85 2jwe s SER 57 CO 0.30 -0.67 1.99 0.25 0.41 0.00 0.00 173.24 175.52 2jwe h LEU 58 N 2.15 0.11 -0.88 2.44 5.85 -1.97 -0.35 115.31 122.66 2jwe h LEU 58 Ca -0.49 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 2jwe h LEU 58 Cb 1.22 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2jwe h LEU 58 CO 0.61 0.06 0.44 0.74 -0.34 0.00 0.00 178.44 179.95 2jwe h THR 59 N 0.12 1.26 -0.73 1.05 2.02 -2.01 -2.63 112.91 111.99 2jwe h THR 59 Ca 0.26 -0.70 0.04 0.00 0.77 0.00 0.00 66.41 66.78 2jwe h THR 59 Cb 0.88 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 2jwe h THR 59 CO -0.03 0.31 0.45 0.44 0.37 0.00 0.00 175.52 177.06 2jwe h ASP 60 N 1.24 0.72 -0.95 4.18 5.19 -1.43 -1.53 116.42 123.84 2jwe h ASP 60 Ca 0.30 0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.78 2jwe h ASP 60 Cb 0.08 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 39.38 2jwe h ASP 60 CO -0.04 0.49 0.62 0.00 -3.12 0.00 0.00 179.24 177.19 2jwe h ALA 61 N 1.32 1.45 -0.69 3.45 0.00 -1.45 -1.00 119.26 122.35 2jwe h ALA 61 Ca 0.30 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2jwe h ALA 61 Cb 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2jwe h ALA 61 CO -0.13 0.41 0.19 0.87 0.00 0.00 0.00 179.25 180.59 2jwe h LYS 62 N 1.11 1.08 -0.77 0.00 1.57 -1.15 -2.80 116.57 115.61 2jwe h LYS 62 Ca 0.40 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2jwe h LYS 62 Cb 0.16 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2jwe h LYS 62 CO -0.15 0.94 0.34 1.15 -0.57 0.00 0.00 179.45 181.15 2jwe h THR 63 N 1.03 1.25 -0.71 -0.16 2.02 -0.53 -2.36 112.91 113.45 2jwe h THR 63 Ca 0.22 -0.75 0.11 0.00 0.77 0.00 0.00 66.41 66.75 2jwe h THR 63 Cb 0.33 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 2jwe h THR 63 CO -0.00 0.31 0.47 -0.07 0.37 0.00 0.00 175.52 176.60 2jwe h LEU 64 N 1.09 0.50 -0.52 2.58 3.38 -1.08 0.22 115.31 121.49 2jwe h LEU 64 Ca 0.26 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.08 2jwe h LEU 64 Cb 0.17 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2jwe h LEU 64 CO -0.03 0.29 -0.73 0.40 0.09 0.00 0.00 178.44 178.46 2jwe h ILE 65 N 0.55 1.48 -0.06 1.22 2.04 -1.38 -2.92 117.51 118.43 2jwe h ILE 65 Ca 0.33 -2.38 -0.21 0.00 1.00 0.00 0.00 64.86 63.61 2jwe h ILE 65 Cb 0.56 2.28 0.01 0.00 -0.74 0.00 0.00 36.82 38.93 2jwe h ILE 65 CO -0.11 0.69 -0.78 -0.33 0.00 0.00 0.00 178.15 177.61 2jwe h GLU 66 N 0.07 0.64 0.00 2.37 5.08 -0.50 -3.18 114.58 119.07 2jwe h GLU 66 Ca -0.02 -0.61 -0.03 0.00 -1.00 0.00 0.00 59.36 57.71 2jwe h GLU 66 Cb 1.29 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.69 2jwe h GLU 66 CO 0.10 1.22 -0.13 -0.09 -1.00 0.00 0.00 179.01 179.11 2jwe h ARG 67 N 0.29 0.00 -5.97 2.33 2.43 -0.72 -3.42 114.38 109.32 2jwe h ARG 67 Ca -0.08 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.54 2jwe h ARG 67 Cb 1.44 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 2jwe h ARG 67 CO 0.16 0.13 1.46 -1.12 -1.51 0.00 0.00 179.97 179.08 2jwe s SER 68 N -6.27 5.31 -1.05 -3.80 0.01 -1.10 -4.91 113.70 101.89 2jwe s SER 68 Ca -0.03 1.42 -0.08 0.00 1.31 0.00 0.00 55.95 58.57 2jwe s SER 68 Cb 0.13 -2.51 0.26 0.00 0.21 0.00 0.00 66.02 64.11 2jwe s SER 68 CO 0.60 -2.15 1.03 -0.54 0.41 0.00 0.00 173.24 172.59 2jwe s LYS 69 N 6.68 3.98 0.00 12.44 3.01 -1.26 -4.85 119.74 139.74 2jwe s LYS 69 Ca 0.92 -3.19 0.00 0.00 -1.01 0.00 0.00 55.97 52.69 2jwe s LYS 69 Cb -0.25 -4.43 0.00 0.00 -1.01 0.00 0.00 37.83 32.14 2jwe s LYS 69 CO 0.31 -1.25 0.00 0.41 0.51 0.00 0.00 175.35 175.34 2jwe n GLY 70 N 2.70 1.61 3.81 -3.33 0.00 -1.26 -5.03 105.19 103.69 2jwe n GLY 70 Ca 0.23 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 2jwe n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jwe s LYS 71 N 0.00 4.22 -0.04 1.61 1.02 -1.26 -5.08 119.74 120.20 2jwe s LYS 71 Ca 0.00 0.78 0.06 0.00 0.02 0.00 0.00 55.97 56.83 2jwe s LYS 71 Cb 0.00 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 2jwe s LYS 71 CO 0.00 0.53 -0.24 -1.17 -0.92 0.00 0.00 175.35 173.55 2jwe s LEU 72 N -1.53 2.05 -0.15 3.17 0.20 -1.26 -4.90 118.68 116.26 2jwe s LEU 72 Ca 0.36 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.72 2jwe s LEU 72 Cb -0.18 -1.31 0.01 0.00 -0.43 0.00 0.00 46.19 44.28 2jwe s LEU 72 CO 0.21 0.26 -0.21 -0.54 -0.29 0.00 0.00 176.35 175.77 2jwe s LYS 73 N -0.28 3.05 -0.08 1.98 1.02 -1.26 -5.01 119.74 119.15 2jwe s LYS 73 Ca 0.01 -0.84 -0.00 0.00 0.02 0.00 0.00 55.97 55.16 2jwe s LYS 73 Cb -0.12 -2.47 0.02 0.00 -0.52 0.00 0.00 37.83 34.74 2jwe s LYS 73 CO 0.02 -0.03 -0.04 -1.64 -0.92 0.00 0.00 175.35 172.74 2jwe s MET 74 N 0.86 1.05 -0.16 1.68 -1.94 -1.26 0.38 119.30 119.91 2jwe s MET 74 Ca -0.06 -0.09 -0.07 0.00 -1.71 0.00 0.00 55.69 53.77 2jwe s MET 74 Cb -0.15 -1.20 -0.04 0.00 2.01 0.00 0.00 34.83 35.45 2jwe s MET 74 CO -0.03 -0.23 0.07 0.08 -0.01 0.00 0.00 175.02 174.90 2jwe s VAL 75 N 1.62 4.84 0.40 -6.03 1.01 0.16 -5.00 120.40 117.40 2jwe s VAL 75 Ca 0.01 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.00 2jwe s VAL 75 Cb -0.13 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2jwe s VAL 75 CO -0.05 0.51 0.12 0.68 0.00 0.00 0.00 175.10 176.36 2jwe s VAL 76 N -0.04 0.66 -0.30 2.92 -7.23 -1.26 -0.20 120.40 114.95 2jwe s VAL 76 Ca 0.07 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 2jwe s VAL 76 Cb -0.12 -2.39 0.04 0.00 0.56 0.00 0.00 36.38 34.47 2jwe s VAL 76 CO 0.01 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 174.81 2jwe s GLN 77 N -3.73 2.59 0.35 4.82 -2.07 -0.81 -4.87 119.66 115.93 2jwe s GLN 77 Ca 0.25 -1.16 0.04 0.00 -1.82 0.00 0.00 55.36 52.67 2jwe s GLN 77 Cb 0.03 -3.20 0.04 0.00 -1.09 0.00 0.00 33.01 28.79 2jwe s GLN 77 CO 0.14 -0.57 0.34 -2.13 -1.32 0.00 0.00 175.29 171.76 2jwe n ARG 78 N 4.68 0.90 -2.86 9.60 0.63 -1.26 -4.70 116.66 123.66 2jwe n ARG 78 Ca -0.14 -2.05 -0.42 0.00 -0.92 0.00 0.00 57.85 54.33 2jwe n ARG 78 Cb 0.45 0.09 -0.04 0.00 0.45 0.00 0.00 32.46 33.40 2jwe n ARG 78 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2jwe s ASP 79 N -3.08 7.01 -0.09 6.15 1.01 -1.26 -5.04 116.67 121.37 2jwe s ASP 79 Ca 0.26 1.24 -0.06 0.00 0.71 0.00 0.00 52.55 54.70 2jwe s ASP 79 Cb -0.02 -2.47 0.03 0.00 1.01 0.00 0.00 42.92 41.47 2jwe s ASP 79 CO 0.17 -0.40 0.23 -1.61 0.21 0.00 0.00 175.17 173.77 2jwe s GLU 80 N 2.10 0.23 0.05 8.23 0.41 -1.26 -5.06 118.70 123.40 2jwe s GLU 80 Ca 0.40 0.42 0.00 0.00 -0.41 0.00 0.00 54.97 55.38 2jwe s GLU 80 Cb -0.17 -0.00 0.00 0.00 -1.78 0.00 0.00 34.13 32.18 2jwe s GLU 80 CO 0.13 -0.10 0.00 -0.11 -0.49 0.00 0.00 175.26 174.69 2jwe n LEU 81 N 3.62 0.32 -0.86 1.80 7.94 -1.26 -5.32 117.00 123.25 2jwe n LEU 81 Ca -0.19 0.08 0.12 0.00 -1.11 0.00 0.00 56.01 54.91 2jwe n LEU 81 Cb 0.56 -0.07 0.19 0.00 0.53 0.00 0.00 43.42 44.62 2jwe n LEU 81 CO 0.16 -0.34 0.68 1.21 -1.11 0.00 0.00 177.39 178.00