#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 3.81 -0.23 -2.82 1.02 -1.26 -5.08 119.74 115.18 2jwe s LYS 2 Ca 0.00 -0.41 -0.08 0.00 0.02 0.00 0.00 55.97 55.50 2jwe s LYS 2 Cb 0.00 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 2jwe s LYS 2 CO 0.00 -0.03 0.09 0.08 -0.92 0.00 0.00 175.35 174.57 2jwe s VAL 3 N 1.22 4.74 -0.19 3.17 1.01 -1.26 -5.08 120.40 124.01 2jwe s VAL 3 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 2jwe s VAL 3 Cb -0.14 -3.19 0.05 0.00 0.00 0.00 0.00 36.38 33.09 2jwe s VAL 3 CO 0.04 0.37 -0.05 -0.89 0.00 0.00 0.00 175.10 174.57 2jwe s THR 4 N 1.13 1.26 0.25 3.92 2.01 -1.26 -5.13 115.64 117.82 2jwe s THR 4 Ca 0.05 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.27 2jwe s THR 4 Cb -0.14 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 2jwe s THR 4 CO 0.04 0.04 0.16 -0.76 -0.69 0.00 0.00 174.62 173.41 2jwe s LEU 5 N 1.55 3.70 -0.28 4.42 2.01 -1.26 -5.11 118.68 123.71 2jwe s LEU 5 Ca -0.02 -0.31 -0.04 0.00 0.01 0.00 0.00 54.13 53.78 2jwe s LEU 5 Cb -0.17 -2.24 0.09 0.00 0.01 0.00 0.00 46.19 43.89 2jwe s LEU 5 CO -0.07 -0.02 0.12 -0.69 1.01 0.00 0.00 176.35 176.70 2jwe s VAL 6 N -2.12 -0.01 0.42 -1.59 1.01 -1.26 -5.14 120.40 111.70 2jwe s VAL 6 Ca 0.32 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 2jwe s VAL 6 Cb -0.08 -0.97 -0.11 0.00 0.00 0.00 0.00 36.38 35.22 2jwe s VAL 6 CO 0.24 -0.67 0.93 -1.59 0.00 0.00 0.00 175.10 174.01 2jwe s LYS 7 N 2.08 4.23 0.72 2.72 -2.85 -1.26 -5.05 119.74 120.31 2jwe s LYS 7 Ca 0.08 1.09 -0.11 0.00 -1.00 0.00 0.00 55.97 56.03 2jwe s LYS 7 Cb -0.16 -2.23 0.02 0.00 -2.06 0.00 0.00 37.83 33.40 2jwe s LYS 7 CO -0.33 0.00 1.07 0.45 0.10 0.00 0.00 175.35 176.64 2jwe s SER 8 N -2.16 5.19 -0.51 0.03 0.15 -0.30 -4.91 113.70 111.18 2jwe s SER 8 Ca 0.61 1.56 -0.26 0.00 0.70 0.00 0.00 55.95 58.55 2jwe s SER 8 Cb -0.10 -2.40 -0.06 0.00 -1.71 0.00 0.00 66.02 61.75 2jwe s SER 8 CO 0.14 -1.56 2.28 -0.13 1.20 0.00 0.00 173.24 175.17 2jwe s ARG 9 N -5.06 2.24 -1.49 5.44 1.81 -1.26 -2.21 118.95 118.41 2jwe s ARG 9 Ca 0.59 1.25 -0.06 0.00 -1.72 0.00 0.00 55.73 55.78 2jwe s ARG 9 Cb -0.14 -4.54 0.01 0.00 -0.45 0.00 0.00 34.95 29.83 2jwe s ARG 9 CO 0.55 -3.13 0.82 1.17 -0.68 0.00 0.00 175.30 174.03 2jwe n LYS 10 N 9.04 -6.06 -3.52 3.54 4.81 -1.26 -4.97 118.16 119.74 2jwe n LYS 10 Ca 0.33 0.88 -0.12 0.00 -0.87 0.00 0.00 58.31 58.53 2jwe n LYS 10 Cb 0.54 -5.82 -0.04 0.00 0.02 0.00 0.00 35.03 29.72 2jwe n LYS 10 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2jwe s ASN 11 N -2.93 -0.48 -0.37 3.14 3.84 -0.94 -5.07 114.94 112.13 2jwe s ASN 11 Ca 0.41 0.35 -0.10 0.00 0.21 0.00 0.00 52.86 53.73 2jwe s ASN 11 Cb -0.18 0.43 0.01 0.00 -0.55 0.00 0.00 41.25 40.96 2jwe s ASN 11 CO 0.51 -0.57 0.34 -0.62 -2.79 0.00 0.00 177.10 173.97 2jwe n GLU 12 N 0.41 -2.80 -1.57 0.43 1.02 -1.26 -1.15 120.64 115.71 2jwe n GLU 12 Ca -0.13 2.36 -0.29 0.00 -0.02 0.00 0.00 57.16 59.08 2jwe n GLU 12 Cb 0.59 -5.36 0.14 0.00 -0.02 0.00 0.00 31.44 26.80 2jwe n GLU 12 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2jwe s GLU 13 N -2.17 0.98 0.13 3.49 -1.05 -1.26 -3.52 118.70 115.30 2jwe s GLU 13 Ca 0.15 0.18 -0.10 0.00 -0.15 0.00 0.00 54.97 55.04 2jwe s GLU 13 Cb -0.04 -1.83 -0.08 0.00 -0.44 0.00 0.00 34.13 31.74 2jwe s GLU 13 CO 0.76 -2.28 1.37 1.88 0.95 0.00 0.00 175.26 177.95 2jwe h TYR 14 N -1.56 0.99 -5.79 4.83 0.05 -1.98 -3.48 116.97 110.02 2jwe h TYR 14 Ca -0.49 -0.40 -0.36 0.00 0.05 0.00 0.00 58.73 57.53 2jwe h TYR 14 Cb 1.32 -0.17 0.13 0.00 1.01 0.00 0.00 36.73 39.03 2jwe h TYR 14 CO -0.04 1.21 -0.78 0.41 -1.05 0.00 0.00 178.16 177.91 2jwe n GLY 15 N 0.53 -0.35 3.19 3.88 0.00 -1.26 -5.01 105.19 106.18 2jwe n GLY 15 Ca -0.06 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -6.50 2.00 -0.37 0.99 0.05 -1.26 -5.10 118.68 108.49 2jwe s LEU 16 Ca 0.03 -0.48 -0.21 0.00 0.05 0.00 0.00 54.13 53.51 2jwe s LEU 16 Cb -0.01 -1.26 0.01 0.00 -2.05 0.00 0.00 46.19 42.87 2jwe s LEU 16 CO 0.76 0.16 0.68 -0.13 -0.55 0.00 0.00 176.35 177.27 2jwe s ARG 17 N 0.21 3.66 -0.15 1.48 1.81 -1.26 -5.05 118.95 119.66 2jwe s ARG 17 Ca -0.12 0.09 -0.06 0.00 -1.72 0.00 0.00 55.73 53.91 2jwe s ARG 17 Cb -0.16 -3.82 -0.04 0.00 -0.45 0.00 0.00 34.95 30.48 2jwe s ARG 17 CO 0.06 -0.79 0.07 -1.17 -0.68 0.00 0.00 175.30 172.79 2jwe s LEU 18 N 2.82 3.92 0.15 2.53 1.98 -1.26 -5.10 118.68 123.71 2jwe s LEU 18 Ca 0.26 0.18 -0.00 0.00 -2.89 0.00 0.00 54.13 51.68 2jwe s LEU 18 Cb -0.14 -1.97 -0.04 0.00 0.66 0.00 0.00 46.19 44.70 2jwe s LEU 18 CO 0.16 0.26 0.04 0.00 -1.89 0.00 0.00 176.35 174.92 2jwe s ALA 19 N -0.16 1.02 0.08 5.97 0.00 -1.26 -5.04 121.76 122.37 2jwe s ALA 19 Ca 0.08 -1.51 0.04 0.00 0.00 0.00 0.00 51.96 50.57 2jwe s ALA 19 Cb -0.12 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 2jwe s ALA 19 CO 0.01 -0.44 -0.12 -1.54 0.00 0.00 0.00 175.76 173.67 2jwe s SER 20 N -3.09 1.53 0.52 0.00 1.04 -1.26 -4.92 113.70 107.51 2jwe s SER 20 Ca 0.24 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 56.05 2jwe s SER 20 Cb 0.07 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.17 2jwe s SER 20 CO 0.03 -0.13 0.16 -1.00 0.98 0.00 0.00 173.24 173.27 2jwe s HIS 21 N -1.57 1.83 -0.15 5.02 3.76 -1.26 0.03 115.29 122.95 2jwe s HIS 21 Ca -0.01 -0.89 -0.02 0.00 -0.15 0.00 0.00 55.06 53.99 2jwe s HIS 21 Cb -0.08 -1.75 0.05 0.00 1.11 0.00 0.00 32.58 31.91 2jwe s HIS 21 CO 0.02 -0.03 0.00 0.42 -0.85 0.00 0.00 174.74 174.30 2jwe s ILE 22 N -2.82 0.66 0.32 0.60 -1.09 -1.24 -4.91 121.20 112.72 2jwe s ILE 22 Ca 0.19 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 2jwe s ILE 22 Cb 0.00 -0.98 0.00 0.00 -1.58 0.00 0.00 42.46 39.91 2jwe s ILE 22 CO 0.11 0.01 0.04 2.22 -1.23 0.00 0.00 174.94 176.09 2jwe n PHE 23 N 5.02 0.46 -3.37 3.97 -1.74 -1.26 0.83 117.46 121.38 2jwe n PHE 23 Ca -0.09 -1.54 -0.40 0.00 -0.56 0.00 0.00 57.45 54.86 2jwe n PHE 23 Cb 0.48 -0.22 -0.09 0.00 1.52 0.00 0.00 39.48 41.17 2jwe n PHE 23 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2jwe s VAL 24 N -2.07 5.15 0.11 1.97 1.01 0.05 -4.83 120.40 121.80 2jwe s VAL 24 Ca 0.03 0.42 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 2jwe s VAL 24 Cb -0.00 -3.77 -0.18 0.00 0.00 0.00 0.00 36.38 32.43 2jwe s VAL 24 CO 0.02 0.04 1.28 0.50 0.00 0.00 0.00 175.10 176.95 2jwe h LYS 25 N 8.28 0.60 -1.80 2.72 1.63 -1.93 -2.80 116.57 123.27 2jwe h LYS 25 Ca -0.31 -0.58 0.31 0.00 -0.85 0.00 0.00 60.65 59.22 2jwe h LYS 25 Cb 1.15 0.15 -0.09 0.00 -0.60 0.00 0.00 32.23 32.84 2jwe h LYS 25 CO 0.68 1.20 0.82 -1.21 -3.45 0.00 0.00 179.45 177.49 2jwe s GLU 26 N -3.45 0.50 -0.01 1.90 2.02 -1.26 -4.83 118.70 113.57 2jwe s GLU 26 Ca -0.08 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.61 2jwe s GLU 26 Cb 0.08 0.15 0.01 0.00 0.10 0.00 0.00 34.13 34.48 2jwe s GLU 26 CO 0.89 -0.23 0.01 0.42 0.02 0.00 0.00 175.26 176.37 2jwe s ILE 27 N -2.29 -0.01 0.30 -1.63 1.09 -1.26 -4.93 121.20 112.47 2jwe s ILE 27 Ca 0.20 0.07 -0.12 0.00 -1.10 0.00 0.00 60.65 59.70 2jwe s ILE 27 Cb 0.02 -0.04 -0.08 0.00 -1.06 0.00 0.00 42.46 41.30 2jwe s ILE 27 CO -0.02 0.04 0.67 -0.44 -0.10 0.00 0.00 174.94 175.09 2jwe s SER 28 N 0.39 6.68 0.65 3.58 0.01 -1.26 -5.04 113.70 118.70 2jwe s SER 28 Ca -0.03 1.12 -0.11 0.00 1.31 0.00 0.00 55.95 58.24 2jwe s SER 28 Cb -0.05 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 2jwe s SER 28 CO -0.01 -0.19 1.05 -1.10 0.41 0.00 0.00 173.24 173.40 2jwe s GLN 29 N -3.06 3.37 -1.84 12.44 -0.21 -1.26 -3.85 119.66 125.24 2jwe s GLN 29 Ca 0.51 0.69 0.00 0.00 0.02 0.00 0.00 55.36 56.58 2jwe s GLN 29 Cb -0.11 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 31.84 2jwe s GLN 29 CO 0.21 -0.72 0.00 -0.25 -2.12 0.00 0.00 175.29 172.41 2jwe n ASP 30 N -2.84 -5.76 -4.65 5.90 9.92 -1.26 -4.98 116.55 112.88 2jwe n ASP 30 Ca 0.06 0.09 -0.27 0.00 -0.53 0.00 0.00 54.79 54.15 2jwe n ASP 30 Cb 0.55 -4.86 -0.10 0.00 -0.64 0.00 0.00 41.12 36.07 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 -2.19 4.04 0.30 -2.24 0.01 -1.25 -5.02 113.70 107.35 2jwe s SER 31 Ca 0.00 -1.27 -0.01 0.00 1.31 0.00 0.00 55.95 55.97 2jwe s SER 31 Cb 0.00 -0.42 0.46 0.00 0.21 0.00 0.00 66.02 66.26 2jwe s SER 31 CO 0.00 -0.46 1.95 -0.07 0.41 0.00 0.00 173.24 175.06 2jwe h LEU 32 N 1.68 0.95 -0.43 2.44 3.38 -1.93 -0.78 115.31 120.62 2jwe h LEU 32 Ca -0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 2jwe h LEU 32 Cb 1.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2jwe h LEU 32 CO 0.77 0.67 0.22 0.00 0.09 0.00 0.00 178.44 180.19 2jwe h ALA 33 N 1.48 0.56 -0.56 1.53 0.00 -1.95 0.58 119.26 120.91 2jwe h ALA 33 Ca 0.34 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2jwe h ALA 33 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2jwe h ALA 33 CO -0.09 0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.19 2jwe h ALA 34 N 1.07 0.84 -0.23 0.00 0.00 -1.64 0.49 119.26 119.80 2jwe h ALA 34 Ca 0.15 -0.33 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 2jwe h ALA 34 Cb 0.08 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2jwe h ALA 34 CO -0.02 0.66 -0.66 0.00 0.00 0.00 0.00 179.25 179.23 2jwe h ARG 35 N 0.91 0.85 -0.29 0.00 3.08 -0.91 -3.21 114.38 114.82 2jwe h ARG 35 Ca 0.15 -0.61 -0.14 0.00 0.07 0.00 0.00 59.98 59.46 2jwe h ARG 35 Cb 0.61 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2jwe h ARG 35 CO 0.04 1.23 -0.38 0.22 -1.07 0.00 0.00 179.97 180.01 2jwe h ASP 36 N 0.62 0.70 -1.97 7.04 3.58 0.26 -3.47 116.42 123.17 2jwe h ASP 36 Ca -0.02 -0.30 -0.30 0.00 0.42 0.00 0.00 57.03 56.83 2jwe h ASP 36 Cb 1.28 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 42.11 2jwe h ASP 36 CO 0.14 1.00 -0.37 0.61 -2.88 0.00 0.00 179.24 177.74 2jwe n GLY 37 N -0.02 -0.03 0.02 -0.78 0.00 0.15 -4.89 105.19 99.65 2jwe n GLY 37 Ca -0.02 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.82 2.19 -4.20 1.61 3.02 -1.25 -4.88 115.26 110.93 2jwe n ASN 38 Ca -0.18 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.98 2jwe n ASN 38 Cb 0.62 1.29 -0.09 0.00 -0.61 0.00 0.00 39.78 40.98 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 -2.65 3.98 0.14 2.41 1.09 -1.26 -5.08 121.20 119.83 2jwe s ILE 39 Ca -0.05 -1.79 0.05 0.00 -1.10 0.00 0.00 60.65 57.77 2jwe s ILE 39 Cb 0.06 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.81 2jwe s ILE 39 CO 0.50 -0.71 0.05 -1.58 -0.10 0.00 0.00 174.94 173.10 2jwe s GLN 40 N 1.32 2.64 0.17 2.79 2.00 -1.26 -4.83 119.66 122.49 2jwe s GLN 40 Ca 0.06 -0.91 -0.32 0.00 -2.00 0.00 0.00 55.36 52.18 2jwe s GLN 40 Cb -0.25 -2.53 -0.12 0.00 0.80 0.00 0.00 33.01 30.91 2jwe s GLN 40 CO -0.01 0.50 1.73 -1.91 -0.50 0.00 0.00 175.29 175.10 2jwe n GLU 41 N 0.08 2.66 0.00 1.67 2.13 -1.26 -1.84 120.64 124.07 2jwe n GLU 41 Ca -0.09 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.69 2jwe n GLU 41 Cb 0.54 -2.80 0.00 0.00 0.27 0.00 0.00 31.44 29.44 2jwe n GLU 41 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jwe n GLY 42 N 3.94 3.00 3.72 8.31 0.00 -1.06 -5.04 105.19 118.07 2jwe n GLY 42 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 3.76 -4.63 1.61 9.92 -0.77 -4.69 116.55 121.76 2jwe n ASP 43 Ca 0.00 1.10 -0.38 0.00 -0.53 0.00 0.00 54.79 54.98 2jwe n ASP 43 Cb 0.00 -1.56 -0.09 0.00 -0.64 0.00 0.00 41.12 38.83 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 0.58 5.24 0.06 2.53 1.01 -1.26 -0.77 120.40 127.79 2jwe s VAL 44 Ca 0.70 0.46 -0.10 0.00 0.00 0.00 0.00 61.98 63.05 2jwe s VAL 44 Cb -0.53 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 2jwe s VAL 44 CO 0.41 0.24 0.38 -0.69 0.00 0.00 0.00 175.10 175.44 2jwe s VAL 45 N 1.57 5.12 -0.01 2.92 1.01 0.24 -0.94 120.40 130.31 2jwe s VAL 45 Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2jwe s VAL 45 Cb -0.15 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2jwe s VAL 45 CO 0.08 0.32 -0.01 0.18 0.00 0.00 0.00 175.10 175.67 2jwe n LEU 46 N 0.99 2.09 -4.20 3.92 4.32 0.22 -3.63 117.00 120.72 2jwe n LEU 46 Ca -0.09 -0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.70 2jwe n LEU 46 Cb 0.52 -0.02 -0.12 0.00 -1.62 0.00 0.00 43.42 42.18 2jwe n LEU 46 CO 0.42 0.37 -0.47 -0.75 -1.22 0.00 0.00 177.39 175.73 2jwe s LYS 47 N -2.02 0.90 -0.21 3.23 2.20 -1.15 -2.01 119.74 120.68 2jwe s LYS 47 Ca -0.01 -1.02 -0.01 0.00 -0.36 0.00 0.00 55.97 54.57 2jwe s LYS 47 Cb 0.00 -0.98 0.06 0.00 -1.51 0.00 0.00 37.83 35.40 2jwe s LYS 47 CO 0.03 0.22 0.00 0.42 -0.36 0.00 0.00 175.35 175.66 2jwe s ILE 48 N -1.26 0.90 -1.47 5.43 -1.09 0.19 -0.08 121.20 123.82 2jwe s ILE 48 Ca 0.00 -0.81 -0.06 0.00 -2.23 0.00 0.00 60.65 57.56 2jwe s ILE 48 Cb -0.10 -1.32 0.03 0.00 -1.58 0.00 0.00 42.46 39.49 2jwe s ILE 48 CO 0.03 -0.17 0.57 -3.20 -1.23 0.00 0.00 174.94 170.94 2jwe n ASN 49 N 4.91 -5.37 0.00 3.58 2.85 0.27 -1.69 115.26 119.80 2jwe n ASN 49 Ca -0.10 -0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.05 2jwe n ASN 49 Cb 0.46 -4.36 0.00 0.00 1.24 0.00 0.00 39.78 37.11 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 -1.42 0.63 2.71 8.20 0.00 -1.26 -5.00 105.19 109.05 2jwe n GLY 50 Ca -0.08 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 -0.11 0.21 2.61 2.01 -0.68 -5.13 115.64 112.54 2jwe s THR 51 Ca 0.00 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 2jwe s THR 51 Cb 0.00 -0.15 -0.09 0.00 0.01 0.00 0.00 72.50 72.27 2jwe s THR 51 CO 0.00 0.15 1.39 -0.69 -0.69 0.00 0.00 174.62 174.78 2jwe s VAL 52 N 1.90 2.95 -0.38 3.82 1.01 -1.26 0.54 120.40 128.99 2jwe s VAL 52 Ca 0.01 0.77 0.05 0.00 0.00 0.00 0.00 61.98 62.82 2jwe s VAL 52 Cb -0.12 -3.49 0.47 0.00 0.00 0.00 0.00 36.38 33.24 2jwe s VAL 52 CO -0.03 0.11 1.48 0.35 0.00 0.00 0.00 175.10 177.01 2jwe n THR 53 N 2.75 2.80 -3.32 3.92 -2.24 -0.85 -4.90 114.28 112.43 2jwe n THR 53 Ca 0.08 -3.41 -0.37 0.00 -2.27 0.00 0.00 64.05 58.07 2jwe n THR 53 Cb 0.41 -0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 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 -3.53 4.09 -0.35 -0.78 2.02 -1.26 -3.88 118.70 115.01 2jwe s GLU 54 Ca 0.52 0.62 0.00 0.00 0.02 0.00 0.00 54.97 56.13 2jwe s GLU 54 Cb 0.43 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.56 2jwe s GLU 54 CO 0.01 0.57 0.00 0.09 0.02 0.00 0.00 175.26 175.96 2jwe n ASN 55 N 1.34 -5.08 -4.98 -0.19 4.13 0.10 -4.91 115.26 105.68 2jwe n ASN 55 Ca -0.08 0.08 -0.20 0.00 1.68 0.00 0.00 54.58 56.05 2jwe n ASN 55 Cb 0.51 -2.87 -0.00 0.00 -1.54 0.00 0.00 39.78 35.87 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 -1.84 3.19 0.49 3.52 1.75 -1.25 -4.85 119.30 120.32 2jwe s MET 56 Ca 0.00 -0.82 -0.19 0.00 -1.25 0.00 0.00 55.69 53.43 2jwe s MET 56 Cb 0.00 -2.78 -0.08 0.00 2.84 0.00 0.00 34.83 34.81 2jwe s MET 56 CO 0.00 0.08 1.01 -1.54 -0.65 0.00 0.00 175.02 173.92 2jwe s SER 57 N -4.13 6.46 0.56 1.11 1.04 -1.26 -4.94 113.70 112.53 2jwe s SER 57 Ca 0.43 1.79 0.24 0.00 0.48 0.00 0.00 55.95 58.89 2jwe s SER 57 Cb -0.10 -2.54 1.52 0.00 0.10 0.00 0.00 66.02 65.01 2jwe s SER 57 CO 0.32 -0.70 2.15 0.25 0.98 0.00 0.00 173.24 176.24 2jwe h LEU 58 N 1.37 0.00 -0.45 2.42 5.85 -1.98 -1.22 115.31 121.29 2jwe h LEU 58 Ca -0.48 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.11 2jwe h LEU 58 Cb 1.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2jwe h LEU 58 CO 0.60 0.00 -0.22 0.74 -0.34 0.00 0.00 178.44 179.21 2jwe h THR 59 N 0.00 1.27 -1.00 1.05 2.02 -2.01 -2.98 112.91 111.25 2jwe h THR 59 Ca 0.05 -1.38 0.10 0.00 0.77 0.00 0.00 66.41 65.95 2jwe h THR 59 Cb 0.23 1.19 -0.08 0.00 -1.74 0.00 0.00 68.15 67.75 2jwe h THR 59 CO -0.00 0.47 0.64 -0.78 0.37 0.00 0.00 175.52 176.22 2jwe h ASP 60 N 0.79 0.96 -0.91 4.18 1.82 -1.60 -1.18 116.42 120.50 2jwe h ASP 60 Ca 0.10 0.03 0.04 0.00 -0.39 0.00 0.00 57.03 56.81 2jwe h ASP 60 Cb 0.80 -0.16 -0.05 0.00 0.68 0.00 0.00 39.33 40.59 2jwe h ASP 60 CO 0.07 0.55 0.59 0.00 -1.61 0.00 0.00 179.24 178.83 2jwe h ALA 61 N 1.51 1.20 -0.81 -0.78 0.00 -1.46 -1.97 119.26 116.96 2jwe h ALA 61 Ca 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 2jwe h ALA 61 Cb 0.38 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2jwe h ALA 61 CO -0.23 0.44 0.48 0.87 0.00 0.00 0.00 179.25 180.81 2jwe h LYS 62 N 1.14 1.10 -0.41 0.00 1.57 -1.20 -2.71 116.57 116.05 2jwe h LYS 62 Ca 0.36 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 59.07 2jwe h LYS 62 Cb 0.01 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 2jwe h LYS 62 CO -0.12 0.78 0.20 1.15 -0.57 0.00 0.00 179.45 180.89 2jwe h THR 63 N 1.11 0.96 -0.76 -0.16 2.02 -1.11 -0.08 112.91 114.89 2jwe h THR 63 Ca 0.29 -0.14 0.08 0.00 0.77 0.00 0.00 66.41 67.41 2jwe h THR 63 Cb -0.03 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 2jwe h THR 63 CO -0.05 0.07 0.50 -0.07 0.37 0.00 0.00 175.52 176.34 2jwe h LEU 64 N 0.41 0.67 -0.53 2.58 3.38 -1.33 0.13 115.31 120.62 2jwe h LEU 64 Ca 0.18 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 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 -0.13 0.42 -0.72 0.40 0.09 0.00 0.00 178.44 178.49 2jwe h ILE 65 N 0.75 1.47 -0.14 1.22 2.04 -1.21 -2.99 117.51 118.66 2jwe h ILE 65 Ca 0.34 -2.36 -0.10 0.00 1.00 0.00 0.00 64.86 63.74 2jwe h ILE 65 Cb 0.35 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 2jwe h ILE 65 CO -0.12 0.68 -0.31 -0.33 0.00 0.00 0.00 178.15 178.07 2jwe h GLU 66 N 0.07 0.45 0.00 2.37 5.08 0.84 -3.13 114.58 120.27 2jwe h GLU 66 Ca -0.02 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2jwe h GLU 66 Cb 1.28 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 2jwe h GLU 66 CO 0.10 0.91 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.87 2jwe h ARG 67 N 0.06 0.00 -5.47 2.33 2.43 -0.88 -3.39 114.38 109.46 2jwe h ARG 67 Ca 0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2jwe h ARG 67 Cb 0.91 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 2jwe h ARG 67 CO 0.07 0.06 0.29 -1.12 -1.51 0.00 0.00 179.97 177.75 2jwe s SER 68 N -6.76 4.26 0.37 -3.80 0.01 -1.13 -4.76 113.70 101.89 2jwe s SER 68 Ca -0.05 -0.11 0.17 0.00 1.31 0.00 0.00 55.95 57.27 2jwe s SER 68 Cb 0.16 -2.55 0.72 0.00 0.21 0.00 0.00 66.02 64.56 2jwe s SER 68 CO 0.64 -3.53 1.77 0.07 0.41 0.00 0.00 173.24 172.61 2jwe h LYS 69 N 12.58 0.00 0.00 12.44 2.10 -1.87 -3.45 116.57 138.37 2jwe h LYS 69 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 2jwe h LYS 69 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2jwe h LYS 69 CO 1.07 0.39 0.00 0.41 -2.00 0.00 0.00 179.45 179.32 2jwe n GLY 70 N -0.04 -0.37 3.83 0.07 0.00 -1.26 -5.12 105.19 102.29 2jwe n GLY 70 Ca -0.01 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.09 4.18 -0.01 1.61 2.20 -1.26 -5.08 119.74 121.29 2jwe s LYS 71 Ca 0.00 0.91 0.04 0.00 -0.36 0.00 0.00 55.97 56.55 2jwe s LYS 71 Cb 0.00 -2.50 -0.01 0.00 -1.51 0.00 0.00 37.83 33.81 2jwe s LYS 71 CO 0.00 0.17 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.87 2jwe s LEU 72 N -2.71 2.02 -0.06 5.43 0.20 -1.26 -4.82 118.68 117.47 2jwe s LEU 72 Ca 0.53 -0.23 0.03 0.00 0.69 0.00 0.00 54.13 55.16 2jwe s LEU 72 Cb -0.12 -0.65 0.00 0.00 -0.43 0.00 0.00 46.19 45.00 2jwe s LEU 72 CO 0.18 0.15 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.69 2jwe s LYS 73 N -0.27 1.84 -0.06 1.98 1.02 -1.26 -5.00 119.74 117.98 2jwe s LYS 73 Ca 0.04 -0.55 -0.02 0.00 0.02 0.00 0.00 55.97 55.46 2jwe s LYS 73 Cb -0.05 -1.54 0.04 0.00 -0.52 0.00 0.00 37.83 35.76 2jwe s LYS 73 CO -0.00 0.15 0.12 -1.64 -0.92 0.00 0.00 175.35 173.06 2jwe s MET 74 N 0.30 0.06 -0.23 1.68 -1.94 -1.26 0.96 119.30 118.86 2jwe s MET 74 Ca -0.09 0.34 -0.10 0.00 -1.71 0.00 0.00 55.69 54.13 2jwe s MET 74 Cb -0.14 -0.21 -0.05 0.00 2.01 0.00 0.00 34.83 36.45 2jwe s MET 74 CO 0.03 -0.18 0.14 0.08 -0.01 0.00 0.00 175.02 175.09 2jwe s VAL 75 N 1.22 5.24 0.55 -6.03 1.01 0.88 -4.97 120.40 118.29 2jwe s VAL 75 Ca -0.08 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.07 2jwe s VAL 75 Cb -0.12 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.86 2jwe s VAL 75 CO -0.05 0.36 0.26 0.68 0.00 0.00 0.00 175.10 176.35 2jwe s VAL 76 N 0.98 1.37 0.09 2.92 -7.23 -1.26 0.72 120.40 117.99 2jwe s VAL 76 Ca 0.07 -1.68 0.08 0.00 -1.81 0.00 0.00 61.98 58.64 2jwe s VAL 76 Cb -0.13 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 2jwe s VAL 76 CO 0.04 0.00 -0.20 -1.58 -0.31 0.00 0.00 175.10 173.05 2jwe s GLN 77 N -4.16 1.10 0.00 4.82 -0.44 -0.12 -4.82 119.66 116.05 2jwe s GLN 77 Ca 0.21 -1.09 0.00 0.00 -2.50 0.00 0.00 55.36 51.98 2jwe s GLN 77 Cb -0.01 -1.30 0.00 0.00 -1.64 0.00 0.00 33.01 30.05 2jwe s GLN 77 CO 0.13 0.31 0.00 -2.13 0.50 0.00 0.00 175.29 174.10 2jwe n ARG 78 N 1.23 0.00 -2.07 1.67 3.00 -1.26 -4.46 116.66 114.77 2jwe n ARG 78 Ca -0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.62 2jwe n ARG 78 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 32.46 32.94 2jwe n ARG 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2jwe n ASP 79 N -2.35 -4.53 -0.07 6.15 2.03 -1.26 -5.03 116.55 111.50 2jwe n ASP 79 Ca 0.00 0.25 -0.08 0.00 0.52 0.00 0.00 54.79 55.48 2jwe n ASP 79 Cb 0.00 -2.87 -0.10 0.00 -0.72 0.00 0.00 41.12 37.44 2jwe n ASP 79 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2jwe n GLU 80 N -0.38 1.53 -2.69 -0.67 0.00 -1.26 -4.87 120.64 112.31 2jwe n GLU 80 Ca 0.05 0.02 -0.42 0.00 0.00 0.00 0.00 57.16 56.81 2jwe n GLU 80 Cb 0.18 -1.34 -0.03 0.00 0.00 0.00 0.00 31.44 30.25 2jwe n GLU 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2jwe s LEU 81 N -5.20 3.76 0.00 -1.84 1.02 -1.26 -5.38 118.68 109.79 2jwe s LEU 81 Ca -0.10 -0.84 0.31 0.00 0.02 0.00 0.00 54.13 53.52 2jwe s LEU 81 Cb 0.04 -2.50 1.73 0.00 0.02 0.00 0.00 46.19 45.49 2jwe s LEU 81 CO 0.50 -1.62 2.13 -0.62 0.02 0.00 0.00 176.35 176.77