#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 3.05 -0.22 -2.82 1.02 -1.26 -5.11 119.74 114.40 2jwe s LYS 2 Ca 0.00 -0.84 -0.08 0.00 0.02 0.00 0.00 55.97 55.07 2jwe s LYS 2 Cb 0.00 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 2jwe s LYS 2 CO 0.00 -0.01 0.08 0.08 -0.92 0.00 0.00 175.35 174.58 2jwe s VAL 3 N 0.80 4.63 -0.24 3.17 1.01 -1.26 -5.08 120.40 123.44 2jwe s VAL 3 Ca -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 2jwe s VAL 3 Cb -0.16 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.16 2jwe s VAL 3 CO -0.01 0.38 -0.01 -0.89 0.00 0.00 0.00 175.10 174.57 2jwe s THR 4 N 1.06 1.25 0.25 3.92 2.01 -1.26 -5.13 115.64 117.75 2jwe s THR 4 Ca 0.04 -1.13 0.06 0.00 0.31 0.00 0.00 61.69 60.98 2jwe s THR 4 Cb -0.14 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 2jwe s THR 4 CO 0.03 -0.21 0.27 -0.76 -0.69 0.00 0.00 174.62 173.26 2jwe s LEU 5 N 1.51 4.00 -0.32 4.42 2.01 -1.26 -5.11 118.68 123.93 2jwe s LEU 5 Ca -0.02 -0.14 0.01 0.00 0.01 0.00 0.00 54.13 53.98 2jwe s LEU 5 Cb -0.18 -2.55 0.10 0.00 0.01 0.00 0.00 46.19 43.57 2jwe s LEU 5 CO -0.09 -0.08 0.09 -0.69 1.01 0.00 0.00 176.35 176.60 2jwe s VAL 6 N -2.09 1.26 0.21 -1.59 1.01 -1.26 -5.12 120.40 112.82 2jwe s VAL 6 Ca 0.34 -1.68 -0.20 0.00 0.00 0.00 0.00 61.98 60.44 2jwe s VAL 6 Cb -0.08 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.27 2jwe s VAL 6 CO 0.27 -0.66 0.72 -0.75 0.00 0.00 0.00 175.10 174.68 2jwe s LYS 7 N 1.39 4.28 0.44 2.72 2.20 -1.26 -5.08 119.74 124.43 2jwe s LYS 7 Ca 0.10 0.89 -0.02 0.00 -0.36 0.00 0.00 55.97 56.58 2jwe s LYS 7 Cb -0.18 -2.93 -0.02 0.00 -1.51 0.00 0.00 37.83 33.20 2jwe s LYS 7 CO -0.20 0.42 0.69 0.45 -0.36 0.00 0.00 175.35 176.35 2jwe s SER 8 N -1.59 6.07 -0.47 1.43 0.15 -1.26 -5.00 113.70 113.03 2jwe s SER 8 Ca 0.42 0.57 0.02 0.00 0.70 0.00 0.00 55.95 57.66 2jwe s SER 8 Cb -0.17 -1.91 0.56 0.00 -1.71 0.00 0.00 66.02 62.78 2jwe s SER 8 CO 0.21 -0.58 1.89 -1.14 1.20 0.00 0.00 173.24 174.83 2jwe n ARG 9 N -2.10 2.25 0.00 5.44 3.00 -1.26 -4.46 116.66 119.53 2jwe n ARG 9 Ca -0.00 -2.82 0.00 0.00 -0.00 0.00 0.00 57.85 55.03 2jwe n ARG 9 Cb 0.56 -2.10 0.00 0.00 0.00 0.00 0.00 32.46 30.92 2jwe n ARG 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2jwe n LYS 10 N -0.92 0.00 -1.85 -0.14 3.00 -1.26 -5.03 118.16 111.96 2jwe n LYS 10 Ca 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.86 2jwe n LYS 10 Cb 1.32 -0.18 0.04 0.00 0.00 0.00 0.00 35.03 36.21 2jwe n LYS 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2jwe n ASN 11 N -2.13 -0.53 -4.46 3.14 3.02 -1.26 -5.14 115.26 107.89 2jwe n ASN 11 Ca 0.00 -1.40 -0.34 0.00 -0.03 0.00 0.00 54.58 52.81 2jwe n ASN 11 Cb 0.00 0.25 -0.13 0.00 -0.61 0.00 0.00 39.78 39.29 2jwe n ASN 11 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jwe s GLU 12 N 0.04 3.59 0.18 3.52 2.02 -1.26 -5.11 118.70 121.68 2jwe s GLU 12 Ca 0.03 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.52 2jwe s GLU 12 Cb 0.16 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 2jwe s GLU 12 CO -0.04 0.22 0.07 -1.21 0.02 0.00 0.00 175.26 174.31 2jwe s GLU 13 N 0.41 2.65 0.29 1.61 2.02 -1.26 -4.38 118.70 120.03 2jwe s GLU 13 Ca -0.05 -1.01 -0.03 0.00 0.02 0.00 0.00 54.97 53.90 2jwe s GLU 13 Cb -0.15 -2.49 0.40 0.00 0.10 0.00 0.00 34.13 32.00 2jwe s GLU 13 CO 0.03 0.46 1.92 1.88 0.02 0.00 0.00 175.26 179.57 2jwe h TYR 14 N 2.46 1.02 -2.91 1.61 0.05 -1.99 -3.47 116.97 113.74 2jwe h TYR 14 Ca -0.47 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.15 2jwe h TYR 14 Cb 1.21 -0.33 0.05 0.00 1.01 0.00 0.00 36.73 38.67 2jwe h TYR 14 CO 0.60 0.70 -0.26 0.41 -1.05 0.00 0.00 178.16 178.56 2jwe n GLY 15 N -1.24 0.36 3.02 3.88 0.00 -1.26 -5.05 105.19 104.90 2jwe n GLY 15 Ca 0.08 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.44 1.61 -0.31 0.99 0.05 -1.26 -5.11 118.68 111.22 2jwe s LEU 16 Ca 0.20 -0.36 -0.26 0.00 0.05 0.00 0.00 54.13 53.75 2jwe s LEU 16 Cb -0.09 -0.96 0.01 0.00 -2.05 0.00 0.00 46.19 43.10 2jwe s LEU 16 CO 0.28 0.00 0.94 -0.13 -0.55 0.00 0.00 176.35 176.89 2jwe s ARG 17 N 0.98 4.04 -0.14 1.48 0.52 -1.26 -5.03 118.95 119.53 2jwe s ARG 17 Ca -0.08 0.88 -0.12 0.00 -0.52 0.00 0.00 55.73 55.89 2jwe s ARG 17 Cb -0.15 -3.72 -0.05 0.00 0.52 0.00 0.00 34.95 31.55 2jwe s ARG 17 CO -0.01 -0.77 0.25 -1.17 0.02 0.00 0.00 175.30 173.62 2jwe s LEU 18 N 3.29 4.29 0.16 2.53 1.98 -1.26 -5.09 118.68 124.58 2jwe s LEU 18 Ca 0.39 0.49 -0.01 0.00 -2.89 0.00 0.00 54.13 52.12 2jwe s LEU 18 Cb -0.13 -2.29 -0.04 0.00 0.66 0.00 0.00 46.19 44.39 2jwe s LEU 18 CO 0.13 0.19 0.07 0.00 -1.89 0.00 0.00 176.35 174.86 2jwe s ALA 19 N 0.02 1.04 0.12 5.97 0.00 -1.26 -5.08 121.76 122.58 2jwe s ALA 19 Ca 0.15 -1.57 0.10 0.00 0.00 0.00 0.00 51.96 50.65 2jwe s ALA 19 Cb -0.13 0.99 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 2jwe s ALA 19 CO 0.04 -0.50 -0.24 -1.54 0.00 0.00 0.00 175.76 173.52 2jwe s SER 20 N -3.11 3.53 0.48 0.00 1.04 -1.26 -4.92 113.70 109.46 2jwe s SER 20 Ca 0.29 -0.67 0.05 0.00 0.48 0.00 0.00 55.95 56.09 2jwe s SER 20 Cb 0.07 -0.34 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 2jwe s SER 20 CO 0.05 0.18 0.16 -1.00 0.98 0.00 0.00 173.24 173.61 2jwe s HIS 21 N -1.08 2.11 -0.03 5.02 3.76 -1.26 0.48 115.29 124.29 2jwe s HIS 21 Ca 0.15 -0.78 0.03 0.00 -0.15 0.00 0.00 55.06 54.32 2jwe s HIS 21 Cb -0.10 -1.81 -0.00 0.00 1.11 0.00 0.00 32.58 31.77 2jwe s HIS 21 CO 0.07 0.07 -0.13 0.42 -0.85 0.00 0.00 174.74 174.32 2jwe s ILE 22 N -2.75 1.05 0.26 0.60 -1.09 -1.26 -4.91 121.20 113.11 2jwe s ILE 22 Ca 0.27 -0.53 -0.03 0.00 -2.23 0.00 0.00 60.65 58.14 2jwe s ILE 22 Cb 0.02 -0.91 -0.02 0.00 -1.58 0.00 0.00 42.46 39.97 2jwe s ILE 22 CO 0.15 0.31 0.30 0.72 -1.23 0.00 0.00 174.94 175.19 2jwe s PHE 23 N -0.00 1.06 -0.35 3.97 -0.71 -1.26 -0.86 117.98 119.83 2jwe s PHE 23 Ca -0.01 -1.27 -0.15 0.00 -1.04 0.00 0.00 56.93 54.47 2jwe s PHE 23 Cb -0.08 -0.33 -0.01 0.00 -1.21 0.00 0.00 43.02 41.39 2jwe s PHE 23 CO 0.01 -0.85 0.33 0.08 -1.34 0.00 0.00 175.22 173.45 2jwe s VAL 24 N -3.80 5.20 0.20 -2.49 1.01 0.11 -4.83 120.40 115.80 2jwe s VAL 24 Ca 0.34 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 2jwe s VAL 24 Cb 0.03 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.65 2jwe s VAL 24 CO 0.16 -0.11 1.63 0.50 0.00 0.00 0.00 175.10 177.28 2jwe h LYS 25 N 8.50 0.95 -1.88 2.72 3.64 -1.93 0.18 116.57 128.75 2jwe h LYS 25 Ca -0.30 -0.34 0.41 0.00 -1.27 0.00 0.00 60.65 59.15 2jwe h LYS 25 Cb 1.14 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.81 2jwe h LYS 25 CO 0.69 1.00 1.01 -2.00 -2.27 0.00 0.00 179.45 177.88 2jwe s GLU 26 N -4.84 0.05 0.03 1.90 2.12 -1.26 -4.46 118.70 112.24 2jwe s GLU 26 Ca -0.11 -0.03 0.05 0.00 0.36 0.00 0.00 54.97 55.24 2jwe s GLU 26 Cb 0.13 0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.52 2jwe s GLU 26 CO 0.85 -0.02 -0.15 0.42 -0.54 0.00 0.00 175.26 175.81 2jwe s ILE 27 N -2.01 1.23 0.50 -3.70 1.09 -1.26 -4.89 121.20 112.17 2jwe s ILE 27 Ca 0.30 -0.96 -0.09 0.00 -1.10 0.00 0.00 60.65 58.80 2jwe s ILE 27 Cb 0.01 -1.08 -0.05 0.00 -1.06 0.00 0.00 42.46 40.28 2jwe s ILE 27 CO -0.03 0.11 0.86 -0.55 -0.10 0.00 0.00 174.94 175.23 2jwe s SER 28 N -0.98 6.33 0.22 3.58 0.15 -1.26 -5.05 113.70 116.70 2jwe s SER 28 Ca 0.04 1.15 -0.22 0.00 0.70 0.00 0.00 55.95 57.62 2jwe s SER 28 Cb -0.08 -2.34 -0.08 0.00 -1.71 0.00 0.00 66.02 61.81 2jwe s SER 28 CO 0.01 -0.62 0.76 -1.10 1.20 0.00 0.00 173.24 173.49 2jwe s GLN 29 N -4.62 4.36 -1.63 5.44 -1.52 -1.26 -3.92 119.66 116.50 2jwe s GLN 29 Ca 0.51 0.99 -0.03 0.00 -1.95 0.00 0.00 55.36 54.87 2jwe s GLN 29 Cb -0.10 -2.95 0.00 0.00 -0.22 0.00 0.00 33.01 29.74 2jwe s GLN 29 CO 0.44 0.42 0.44 -0.25 -0.25 0.00 0.00 175.29 176.08 2jwe n ASP 30 N 0.88 -6.11 -4.84 5.90 9.92 -1.26 -5.00 116.55 116.04 2jwe n ASP 30 Ca -0.02 -0.21 -0.26 0.00 -0.53 0.00 0.00 54.79 53.76 2jwe n ASP 30 Cb 0.50 -4.98 -0.04 0.00 -0.64 0.00 0.00 41.12 35.97 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 -2.52 4.54 0.20 -2.24 0.01 -1.25 -4.96 113.70 107.49 2jwe s SER 31 Ca 0.22 -1.22 -0.10 0.00 1.31 0.00 0.00 55.95 56.16 2jwe s SER 31 Cb -0.10 0.11 0.23 0.00 0.21 0.00 0.00 66.02 66.48 2jwe s SER 31 CO 0.27 -0.88 1.77 -0.07 0.41 0.00 0.00 173.24 174.74 2jwe h LEU 32 N 1.04 0.32 -0.46 2.44 3.38 -1.94 0.11 115.31 120.20 2jwe h LEU 32 Ca -0.40 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2jwe h LEU 32 Cb 1.29 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 2jwe h LEU 32 CO 0.63 0.20 0.25 0.00 0.09 0.00 0.00 178.44 179.62 2jwe h ALA 33 N 1.37 0.58 -0.70 1.53 0.00 -1.96 0.48 119.26 120.56 2jwe h ALA 33 Ca 0.28 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2jwe h ALA 33 Cb 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2jwe h ALA 33 CO -0.24 0.10 0.19 0.00 0.00 0.00 0.00 179.25 179.31 2jwe h ALA 34 N 1.10 0.92 -0.22 0.00 0.00 -1.60 0.14 119.26 119.59 2jwe h ALA 34 Ca 0.16 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2jwe h ALA 34 Cb 0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2jwe h ALA 34 CO -0.03 0.62 -0.34 0.00 0.00 0.00 0.00 179.25 179.50 2jwe h ARG 35 N 1.04 0.62 -0.63 0.00 2.47 -0.51 -3.22 114.38 114.16 2jwe h ARG 35 Ca 0.22 -0.37 -0.07 0.00 -1.26 0.00 0.00 59.98 58.50 2jwe h ARG 35 Cb 0.34 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 2jwe h ARG 35 CO -0.00 0.98 0.11 -0.44 0.56 0.00 0.00 179.97 181.18 2jwe h ASP 36 N 0.31 0.99 -2.63 7.04 5.19 0.09 -3.47 116.42 123.94 2jwe h ASP 36 Ca 0.02 -0.26 -0.28 0.00 -0.62 0.00 0.00 57.03 55.90 2jwe h ASP 36 Cb 0.93 -0.26 0.02 0.00 0.18 0.00 0.00 39.33 40.19 2jwe h ASP 36 CO 0.08 0.99 -0.39 0.61 -3.12 0.00 0.00 179.24 177.41 2jwe n GLY 37 N -0.58 -0.17 0.06 2.75 0.00 0.46 -4.91 105.19 102.80 2jwe n GLY 37 Ca 0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.93 2.53 -4.78 1.61 3.02 -1.26 -4.98 115.26 110.47 2jwe n ASN 38 Ca -0.12 -0.02 -0.38 0.00 -0.03 0.00 0.00 54.58 54.03 2jwe n ASN 38 Cb 0.60 0.53 -0.06 0.00 -0.61 0.00 0.00 39.78 40.24 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 -2.26 5.12 -0.02 2.41 1.01 -1.26 -5.09 121.20 121.11 2jwe s ILE 39 Ca -0.08 0.85 0.06 0.00 0.00 0.00 0.00 60.65 61.48 2jwe s ILE 39 Cb 0.03 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 2jwe s ILE 39 CO 0.40 0.46 -0.21 -1.58 0.00 0.00 0.00 174.94 174.01 2jwe s GLN 40 N -0.23 1.77 0.18 2.79 0.74 -1.26 -4.91 119.66 118.74 2jwe s GLN 40 Ca 0.24 -0.76 -0.32 0.00 0.05 0.00 0.00 55.36 54.56 2jwe s GLN 40 Cb -0.16 -1.69 -0.12 0.00 1.10 0.00 0.00 33.01 32.14 2jwe s GLN 40 CO 0.11 0.45 1.76 -1.83 -0.55 0.00 0.00 175.29 175.23 2jwe s GLU 41 N -0.46 4.12 0.00 1.67 4.04 -1.26 -1.69 118.70 125.13 2jwe s GLU 41 Ca 0.07 2.62 0.00 0.00 0.04 0.00 0.00 54.97 57.70 2jwe s GLU 41 Cb -0.09 -3.23 0.00 0.00 0.02 0.00 0.00 34.13 30.83 2jwe s GLU 41 CO -0.00 -0.79 0.00 0.41 -1.84 0.00 0.00 175.26 173.04 2jwe n GLY 42 N 4.07 3.27 3.65 -3.83 0.00 0.63 -4.99 105.19 107.99 2jwe n GLY 42 Ca 0.17 0.00 -0.38 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 1.28 -4.41 1.61 9.92 -0.68 -4.60 116.55 119.66 2jwe n ASP 43 Ca 0.00 0.85 -0.37 0.00 -0.53 0.00 0.00 54.79 54.74 2jwe n ASP 43 Cb 0.00 -1.44 -0.12 0.00 -0.64 0.00 0.00 41.12 38.91 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 -1.45 4.25 -0.27 2.53 1.01 -1.26 0.06 120.40 125.27 2jwe s VAL 44 Ca 0.76 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 2jwe s VAL 44 Cb -0.42 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 2jwe s VAL 44 CO 0.47 0.22 0.40 -0.69 0.00 0.00 0.00 175.10 175.50 2jwe s VAL 45 N 1.58 5.15 -0.16 2.92 1.01 -0.04 -2.44 120.40 128.42 2jwe s VAL 45 Ca 0.05 0.63 -0.16 0.00 0.00 0.00 0.00 61.98 62.50 2jwe s VAL 45 Cb -0.16 -3.73 -0.23 0.00 0.00 0.00 0.00 36.38 32.26 2jwe s VAL 45 CO 0.04 0.14 0.35 0.25 0.00 0.00 0.00 175.10 175.87 2jwe h LEU 46 N 8.64 0.22 -8.77 3.92 6.46 -1.10 -3.36 115.31 121.33 2jwe h LEU 46 Ca -0.31 -0.74 -0.57 0.00 -0.12 0.00 0.00 57.88 56.14 2jwe h LEU 46 Cb 1.16 -0.07 -0.20 0.00 -0.73 0.00 0.00 40.66 40.81 2jwe h LEU 46 CO 0.66 1.63 -0.82 -0.54 -0.62 0.00 0.00 178.44 178.75 2jwe s LYS 47 N -2.45 1.22 -0.04 1.25 1.02 -1.19 -2.16 119.74 117.40 2jwe s LYS 47 Ca -0.25 -1.28 -0.02 0.00 0.02 0.00 0.00 55.97 54.45 2jwe s LYS 47 Cb 0.06 -1.46 0.03 0.00 -0.52 0.00 0.00 37.83 35.93 2jwe s LYS 47 CO 0.69 0.33 0.05 0.42 -0.92 0.00 0.00 175.35 175.92 2jwe s ILE 48 N -1.44 -0.06 -1.55 2.17 1.01 0.17 -1.30 121.20 120.21 2jwe s ILE 48 Ca 0.11 0.37 -0.05 0.00 0.00 0.00 0.00 60.65 61.08 2jwe s ILE 48 Cb -0.09 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.22 2jwe s ILE 48 CO 0.05 0.17 0.64 -3.20 0.00 0.00 0.00 174.94 172.61 2jwe n ASN 49 N 5.11 -6.09 -0.66 3.58 2.85 0.24 -1.85 115.26 118.45 2jwe n ASN 49 Ca -0.07 -0.31 -0.06 0.00 -0.11 0.00 0.00 54.58 54.03 2jwe n ASN 49 Cb 0.50 -4.91 -0.01 0.00 1.24 0.00 0.00 39.78 36.60 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 -1.55 0.20 2.96 8.20 0.00 -1.26 -5.01 105.19 108.73 2jwe n GLY 50 Ca -0.10 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.29 0.06 0.22 2.61 2.01 -0.77 -5.14 115.64 112.33 2jwe s THR 51 Ca 0.00 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 2jwe s THR 51 Cb 0.00 -0.19 -0.08 0.00 0.01 0.00 0.00 72.50 72.24 2jwe s THR 51 CO 0.00 -0.29 1.02 -0.69 -0.69 0.00 0.00 174.62 173.98 2jwe s VAL 52 N -0.86 3.93 -0.15 3.82 1.01 -1.26 0.45 120.40 127.34 2jwe s VAL 52 Ca -0.09 1.81 0.18 0.00 0.00 0.00 0.00 61.98 63.88 2jwe s VAL 52 Cb -0.06 -4.16 0.37 0.00 0.00 0.00 0.00 36.38 32.54 2jwe s VAL 52 CO -0.00 0.38 1.25 0.41 0.00 0.00 0.00 175.10 177.14 2jwe n THR 53 N 1.82 2.02 -2.89 3.92 -1.04 -0.92 -4.88 114.28 112.31 2jwe n THR 53 Ca 0.00 -2.11 -0.33 0.00 -2.04 0.00 0.00 64.05 59.58 2jwe n THR 53 Cb 0.47 -0.23 -0.06 0.00 -1.82 0.00 0.00 70.33 68.68 2jwe n THR 53 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2jwe s GLU 54 N -2.83 4.12 -1.17 -2.82 2.12 -1.26 -3.67 118.70 113.18 2jwe s GLU 54 Ca 0.35 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.62 2jwe s GLU 54 Cb 0.30 -2.27 0.00 0.00 0.26 0.00 0.00 34.13 32.42 2jwe s GLU 54 CO 0.05 0.01 0.00 0.27 -0.54 0.00 0.00 175.26 175.05 2jwe n ASN 55 N -0.65 -3.30 -4.98 -1.70 0.23 0.18 -4.92 115.26 100.12 2jwe n ASN 55 Ca 0.06 0.27 -0.19 0.00 -0.53 0.00 0.00 54.58 54.19 2jwe n ASN 55 Cb 0.54 -3.00 0.03 0.00 -2.08 0.00 0.00 39.78 35.27 2jwe n ASN 55 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2jwe s MET 56 N -2.84 2.60 0.31 -3.83 1.75 -1.24 -4.82 119.30 111.22 2jwe s MET 56 Ca 0.00 -1.05 -0.27 0.00 -1.25 0.00 0.00 55.69 53.12 2jwe s MET 56 Cb 0.00 -2.60 -0.10 0.00 2.84 0.00 0.00 34.83 34.97 2jwe s MET 56 CO 0.00 -0.58 0.94 -1.12 -0.65 0.00 0.00 175.02 173.61 2jwe s SER 57 N -4.43 7.40 0.41 1.11 0.01 -1.26 -4.94 113.70 112.00 2jwe s SER 57 Ca 0.57 1.86 0.12 0.00 1.31 0.00 0.00 55.95 59.81 2jwe s SER 57 Cb -0.10 -2.59 0.94 0.00 0.21 0.00 0.00 66.02 64.49 2jwe s SER 57 CO 0.37 -0.02 1.95 0.25 0.41 0.00 0.00 173.24 176.20 2jwe h LEU 58 N 3.37 0.47 -0.41 2.44 5.85 -1.97 -0.75 115.31 124.31 2jwe h LEU 58 Ca -0.46 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.10 2jwe h LEU 58 Cb 1.19 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 2jwe h LEU 58 CO 0.66 0.28 -0.50 0.74 -0.34 0.00 0.00 178.44 179.27 2jwe h THR 59 N 0.52 1.29 -0.57 1.05 2.02 -2.00 -3.15 112.91 112.07 2jwe h THR 59 Ca 0.32 -1.70 0.05 0.00 0.77 0.00 0.00 66.41 65.85 2jwe h THR 59 Cb 0.54 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 68.51 2jwe h THR 59 CO -0.10 0.55 0.29 -0.78 0.37 0.00 0.00 175.52 175.85 2jwe h ASP 60 N 0.61 0.42 -0.90 4.18 1.82 -1.53 -1.48 116.42 119.54 2jwe h ASP 60 Ca 0.03 0.03 0.06 0.00 -0.39 0.00 0.00 57.03 56.76 2jwe h ASP 60 Cb 1.08 -0.05 -0.06 0.00 0.68 0.00 0.00 39.33 40.99 2jwe h ASP 60 CO 0.11 0.28 0.58 0.00 -1.61 0.00 0.00 179.24 178.60 2jwe h ALA 61 N 1.31 1.51 -0.44 -0.78 0.00 -1.43 -0.93 119.26 118.49 2jwe h ALA 61 Ca 0.25 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2jwe h ALA 61 Cb 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2jwe h ALA 61 CO -0.17 0.36 0.00 0.87 0.00 0.00 0.00 179.25 180.31 2jwe h LYS 62 N 1.03 0.72 -0.63 0.00 1.79 -1.26 -2.78 116.57 115.44 2jwe h LYS 62 Ca 0.38 -0.18 -0.05 0.00 -2.18 0.00 0.00 60.65 58.61 2jwe h LYS 62 Cb 0.17 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 2jwe h LYS 62 CO -0.14 0.74 0.19 1.15 -1.08 0.00 0.00 179.45 180.31 2jwe h THR 63 N 0.68 1.25 -0.84 -0.16 2.02 -0.48 -2.51 112.91 112.87 2jwe h THR 63 Ca 0.14 -0.86 0.14 0.00 0.77 0.00 0.00 66.41 66.60 2jwe h THR 63 Cb 0.42 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 2jwe h THR 63 CO 0.02 0.33 0.55 -0.07 0.37 0.00 0.00 175.52 176.72 2jwe h LEU 64 N 0.91 0.57 -1.00 2.58 3.38 -1.12 0.21 115.31 120.84 2jwe h LEU 64 Ca 0.20 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 2jwe h LEU 64 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2jwe h LEU 64 CO -0.00 0.29 -0.22 0.40 0.09 0.00 0.00 178.44 178.99 2jwe h ILE 65 N 0.60 1.25 0.03 1.22 2.04 -1.41 -1.97 117.51 119.28 2jwe h ILE 65 Ca 0.42 -1.19 -0.13 0.00 1.00 0.00 0.00 64.86 64.96 2jwe h ILE 65 Cb 0.76 1.30 0.01 0.00 -0.74 0.00 0.00 36.82 38.16 2jwe h ILE 65 CO -0.17 0.38 -0.52 -0.33 0.00 0.00 0.00 178.15 177.51 2jwe h GLU 66 N 0.42 0.29 0.00 2.37 5.08 -0.59 -3.22 114.58 118.93 2jwe h GLU 66 Ca 0.07 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2jwe h GLU 66 Cb 0.62 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2jwe h GLU 66 CO 0.04 1.08 0.00 -2.13 -1.00 0.00 0.00 179.01 177.00 2jwe n ARG 67 N -4.30 0.18 -1.56 2.33 0.63 0.29 -4.75 116.66 109.47 2jwe n ARG 67 Ca -0.11 0.51 -0.51 0.00 -0.92 0.00 0.00 57.85 56.82 2jwe n ARG 67 Cb 0.65 -1.91 -0.06 0.00 0.45 0.00 0.00 32.46 31.58 2jwe n ARG 67 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jwe n SER 68 N -2.26 2.56 -4.44 6.15 7.64 -0.75 -4.81 113.62 117.71 2jwe n SER 68 Ca 0.01 0.65 -0.34 0.00 1.01 0.00 0.00 58.87 60.20 2jwe n SER 68 Cb 0.16 -1.28 -0.05 0.00 -1.01 0.00 0.00 64.21 62.03 2jwe n SER 68 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jwe n LYS 69 N 7.37 1.96 0.00 1.43 5.02 -1.26 -4.71 118.16 127.97 2jwe n LYS 69 Ca 0.34 -2.57 0.00 0.00 -2.02 0.00 0.00 58.31 54.06 2jwe n LYS 69 Cb 0.24 -3.57 0.00 0.00 -0.02 0.00 0.00 35.03 31.68 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 5.50 1.89 3.77 0.72 0.00 -1.26 -4.85 105.19 110.96 2jwe n GLY 70 Ca 0.47 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 46.15 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 4.37 0.04 1.61 -2.85 -1.26 -5.05 119.74 116.59 2jwe s LYS 71 Ca 0.00 1.84 0.05 0.00 -1.00 0.00 0.00 55.97 56.86 2jwe s LYS 71 Cb 0.00 -2.94 -0.04 0.00 -2.06 0.00 0.00 37.83 32.79 2jwe s LYS 71 CO 0.00 -0.05 -0.09 -1.17 0.10 0.00 0.00 175.35 174.14 2jwe s LEU 72 N -1.95 3.05 -0.11 2.77 0.20 -1.26 -4.94 118.68 116.44 2jwe s LEU 72 Ca 0.50 -0.26 0.01 0.00 0.69 0.00 0.00 54.13 55.08 2jwe s LEU 72 Cb -0.32 -1.79 0.02 0.00 -0.43 0.00 0.00 46.19 43.68 2jwe s LEU 72 CO 0.40 0.25 -0.12 -0.54 -0.29 0.00 0.00 176.35 176.05 2jwe s LYS 73 N -1.65 1.91 -0.05 1.98 1.02 -1.26 -5.01 119.74 116.68 2jwe s LYS 73 Ca 0.18 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.76 2jwe s LYS 73 Cb -0.11 -1.73 0.01 0.00 -0.52 0.00 0.00 37.83 35.48 2jwe s LYS 73 CO 0.09 -0.14 -0.10 -1.64 -0.92 0.00 0.00 175.35 172.64 2jwe s MET 74 N 1.24 1.37 -0.32 1.68 -1.94 -1.26 0.83 119.30 120.90 2jwe s MET 74 Ca -0.02 -0.33 -0.07 0.00 -1.71 0.00 0.00 55.69 53.55 2jwe s MET 74 Cb -0.14 -1.19 0.02 0.00 2.01 0.00 0.00 34.83 35.53 2jwe s MET 74 CO -0.04 0.03 0.10 0.08 -0.01 0.00 0.00 175.02 175.18 2jwe s VAL 75 N 0.59 4.00 0.50 -6.03 1.01 -0.42 -5.02 120.40 115.03 2jwe s VAL 75 Ca -0.11 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.10 2jwe s VAL 75 Cb -0.14 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.11 2jwe s VAL 75 CO 0.02 -0.03 0.33 0.68 0.00 0.00 0.00 175.10 176.11 2jwe s VAL 76 N 1.48 1.90 -0.15 2.92 -7.23 -1.26 -0.62 120.40 117.45 2jwe s VAL 76 Ca 0.01 -1.54 -0.09 0.00 -1.81 0.00 0.00 61.98 58.56 2jwe s VAL 76 Cb -0.18 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2jwe s VAL 76 CO 0.03 0.00 0.15 -1.10 -0.31 0.00 0.00 175.10 173.87 2jwe s GLN 77 N -4.16 3.77 0.31 4.82 1.11 -1.02 -4.92 119.66 119.57 2jwe s GLN 77 Ca 0.36 -0.14 0.00 0.00 0.01 0.00 0.00 55.36 55.58 2jwe s GLN 77 Cb -0.01 -3.29 0.00 0.00 -1.01 0.00 0.00 33.01 28.70 2jwe s GLN 77 CO 0.21 0.57 0.00 -2.13 0.01 0.00 0.00 175.29 173.96 2jwe n ARG 78 N 2.62 -2.18 -3.62 2.91 0.63 -1.26 -4.73 116.66 111.02 2jwe n ARG 78 Ca -0.18 1.69 -0.27 0.00 -0.92 0.00 0.00 57.85 58.17 2jwe n ARG 78 Cb 0.54 -2.12 -0.16 0.00 0.45 0.00 0.00 32.46 31.17 2jwe n ARG 78 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2jwe s ASP 79 N -4.24 2.77 -0.55 6.15 2.15 -1.26 -5.07 116.67 116.62 2jwe s ASP 79 Ca 0.00 -0.84 0.04 0.00 0.43 0.00 0.00 52.55 52.18 2jwe s ASP 79 Cb 0.00 -0.35 0.15 0.00 -0.30 0.00 0.00 42.92 42.41 2jwe s ASP 79 CO 0.00 -0.36 0.33 -0.70 -0.17 0.00 0.00 175.17 174.27 2jwe s GLU 80 N 2.06 1.90 0.16 4.34 -6.30 -1.26 -5.10 118.70 114.50 2jwe s GLU 80 Ca 0.03 -2.67 -0.30 0.00 -2.50 0.00 0.00 54.97 49.53 2jwe s GLU 80 Cb -0.16 -3.01 -0.07 0.00 0.00 0.00 0.00 34.13 30.89 2jwe s GLU 80 CO -0.16 -1.19 0.98 -0.51 0.02 0.00 0.00 175.26 174.40 2jwe s LEU 81 N -0.48 4.54 0.00 2.70 2.01 -1.26 -5.13 118.68 121.07 2jwe s LEU 81 Ca 0.20 1.89 0.25 0.00 0.01 0.00 0.00 54.13 56.48 2jwe s LEU 81 Cb -0.17 -3.60 0.42 0.00 0.01 0.00 0.00 46.19 42.85 2jwe s LEU 81 CO -0.06 -0.02 1.39 -1.84 1.01 0.00 0.00 176.35 176.82