#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 3.62 -0.15 -2.82 2.20 -1.26 -5.09 119.74 116.24 2jwe s LYS 2 Ca 0.00 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 2jwe s LYS 2 Cb 0.00 -3.20 -0.00 0.00 -1.51 0.00 0.00 37.83 33.12 2jwe s LYS 2 CO 0.00 0.74 -0.16 0.08 -0.36 0.00 0.00 175.35 175.66 2jwe s VAL 3 N -1.06 2.65 -0.26 4.02 1.01 -1.26 -5.09 120.40 120.40 2jwe s VAL 3 Ca 0.19 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 2jwe s VAL 3 Cb -0.14 -2.11 0.08 0.00 0.00 0.00 0.00 36.38 34.21 2jwe s VAL 3 CO 0.08 0.52 0.03 -0.89 0.00 0.00 0.00 175.10 174.84 2jwe s THR 4 N 0.79 1.17 0.19 3.92 2.01 -1.26 -5.13 115.64 117.34 2jwe s THR 4 Ca -0.06 -1.26 0.05 0.00 0.31 0.00 0.00 61.69 60.73 2jwe s THR 4 Cb -0.15 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 2jwe s THR 4 CO 0.00 -0.38 0.23 -0.76 -0.69 0.00 0.00 174.62 173.02 2jwe s LEU 5 N 1.52 4.03 -0.28 4.42 1.43 -1.26 -5.11 118.68 123.43 2jwe s LEU 5 Ca 0.02 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2jwe s LEU 5 Cb -0.18 -2.60 0.08 0.00 0.03 0.00 0.00 46.19 43.53 2jwe s LEU 5 CO -0.13 0.02 0.04 -0.69 0.23 0.00 0.00 176.35 175.81 2jwe s VAL 6 N -1.88 1.19 -0.17 -1.59 1.01 -1.26 -5.11 120.40 112.58 2jwe s VAL 6 Ca 0.33 -1.35 -0.16 0.00 0.00 0.00 0.00 61.98 60.79 2jwe s VAL 6 Cb -0.10 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2jwe s VAL 6 CO 0.26 -0.44 0.41 -0.75 0.00 0.00 0.00 175.10 174.57 2jwe s LYS 7 N 1.50 4.23 0.56 2.72 2.20 -1.26 -5.04 119.74 124.65 2jwe s LYS 7 Ca 0.04 0.26 -0.03 0.00 -0.36 0.00 0.00 55.97 55.88 2jwe s LYS 7 Cb -0.18 -3.50 0.02 0.00 -1.51 0.00 0.00 37.83 32.66 2jwe s LYS 7 CO -0.15 0.05 0.84 -1.54 -0.36 0.00 0.00 175.35 174.18 2jwe s SER 8 N 0.86 5.51 -0.70 1.43 1.04 -1.26 -4.96 113.70 115.62 2jwe s SER 8 Ca 0.21 0.47 -0.26 0.00 0.48 0.00 0.00 55.95 56.85 2jwe s SER 8 Cb -0.15 -1.47 -0.09 0.00 0.10 0.00 0.00 66.02 64.42 2jwe s SER 8 CO 0.08 -1.05 2.25 -0.13 0.98 0.00 0.00 173.24 175.37 2jwe s ARG 9 N -4.88 2.05 0.38 4.02 0.52 -1.26 -4.55 118.95 115.23 2jwe s ARG 9 Ca 0.54 0.64 0.00 0.00 -0.52 0.00 0.00 55.73 56.38 2jwe s ARG 9 Cb -0.10 -4.72 0.00 0.00 0.52 0.00 0.00 34.95 30.64 2jwe s ARG 9 CO 0.42 -3.69 0.00 1.17 0.02 0.00 0.00 175.30 173.22 2jwe n LYS 10 N 8.93 -2.49 -1.91 3.54 4.81 -1.26 -4.84 118.16 124.94 2jwe n LYS 10 Ca 0.39 1.85 -0.18 0.00 -0.87 0.00 0.00 58.31 59.50 2jwe n LYS 10 Cb 0.48 -2.98 -0.05 0.00 0.02 0.00 0.00 35.03 32.51 2jwe n LYS 10 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jwe n ASN 11 N -3.92 -5.04 -3.15 3.14 3.02 -1.26 -4.88 115.26 103.16 2jwe n ASN 11 Ca -0.03 0.28 0.06 0.00 -0.03 0.00 0.00 54.58 54.85 2jwe n ASN 11 Cb 0.54 -4.38 -0.02 0.00 -0.61 0.00 0.00 39.78 35.31 2jwe n ASN 11 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2jwe s GLU 12 N -4.20 0.12 0.12 3.52 2.56 -1.26 -5.01 118.70 114.56 2jwe s GLU 12 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 54.97 55.24 2jwe s GLU 12 Cb 0.00 0.12 -0.04 0.00 2.00 0.00 0.00 34.13 36.21 2jwe s GLU 12 CO 0.00 -0.14 -0.14 -1.21 -0.56 0.00 0.00 175.26 173.21 2jwe s GLU 13 N 2.97 1.02 0.23 4.30 2.02 -1.26 -4.06 118.70 123.92 2jwe s GLU 13 Ca -0.02 -1.23 -0.08 0.00 0.02 0.00 0.00 54.97 53.66 2jwe s GLU 13 Cb -0.09 -0.92 0.25 0.00 0.10 0.00 0.00 34.13 33.46 2jwe s GLU 13 CO -0.10 0.18 1.88 1.88 0.02 0.00 0.00 175.26 179.11 2jwe h TYR 14 N 3.57 1.01 -6.16 1.61 0.05 -2.00 -3.47 116.97 111.58 2jwe h TYR 14 Ca -0.40 0.03 -0.43 0.00 0.05 0.00 0.00 58.73 57.97 2jwe h TYR 14 Cb 1.20 -0.34 0.04 0.00 1.01 0.00 0.00 36.73 38.64 2jwe h TYR 14 CO 0.65 0.59 -0.85 0.41 -1.05 0.00 0.00 178.16 177.90 2jwe n GLY 15 N -1.33 -0.38 3.10 3.88 0.00 -1.26 -4.98 105.19 104.23 2jwe n GLY 15 Ca 0.10 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.67 2.00 -0.11 0.99 0.05 -1.26 -5.10 118.68 108.58 2jwe s LEU 16 Ca 0.07 -0.59 -0.30 0.00 0.05 0.00 0.00 54.13 53.36 2jwe s LEU 16 Cb -0.02 -1.38 -0.02 0.00 -2.05 0.00 0.00 46.19 42.73 2jwe s LEU 16 CO 0.83 0.01 1.10 -0.60 -0.55 0.00 0.00 176.35 177.14 2jwe s ARG 17 N 1.20 4.36 0.28 1.48 3.52 -1.26 -5.04 118.95 123.49 2jwe s ARG 17 Ca 0.01 1.51 0.11 0.00 -0.13 0.00 0.00 55.73 57.23 2jwe s ARG 17 Cb -0.14 -3.58 -0.05 0.00 -1.56 0.00 0.00 34.95 29.63 2jwe s ARG 17 CO -0.09 -0.44 -0.13 -1.17 -0.81 0.00 0.00 175.30 172.67 2jwe s LEU 18 N 2.36 2.80 0.38 -0.88 2.96 -1.26 -5.15 118.68 119.89 2jwe s LEU 18 Ca 0.51 -0.92 -0.10 0.00 -0.22 0.00 0.00 54.13 53.40 2jwe s LEU 18 Cb -0.20 -1.29 0.04 0.00 0.50 0.00 0.00 46.19 45.23 2jwe s LEU 18 CO 0.18 0.00 0.67 0.00 -1.32 0.00 0.00 176.35 175.88 2jwe s ALA 19 N -2.46 -0.09 0.09 5.97 0.00 -1.26 -5.10 121.76 118.91 2jwe s ALA 19 Ca 0.31 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 51.23 2jwe s ALA 19 Cb -0.05 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 2jwe s ALA 19 CO 0.17 -0.91 -0.14 -1.54 0.00 0.00 0.00 175.76 173.34 2jwe s SER 20 N -3.15 1.84 0.46 0.00 1.04 -1.26 -4.94 113.70 107.69 2jwe s SER 20 Ca 0.22 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 55.97 2jwe s SER 20 Cb -0.03 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.00 2jwe s SER 20 CO 0.16 -0.10 0.05 -1.00 0.98 0.00 0.00 173.24 173.32 2jwe s HIS 21 N -1.64 1.89 0.02 5.02 3.76 -1.26 0.24 115.29 123.32 2jwe s HIS 21 Ca 0.03 -1.05 0.03 0.00 -0.15 0.00 0.00 55.06 53.92 2jwe s HIS 21 Cb -0.08 -1.46 -0.02 0.00 1.11 0.00 0.00 32.58 32.14 2jwe s HIS 21 CO 0.03 0.06 -0.09 0.42 -0.85 0.00 0.00 174.74 174.31 2jwe s ILE 22 N -2.99 0.66 0.30 0.60 -1.09 -1.25 -4.91 121.20 112.51 2jwe s ILE 22 Ca 0.15 -0.75 -0.05 0.00 -2.23 0.00 0.00 60.65 57.77 2jwe s ILE 22 Cb 0.03 -0.63 -0.01 0.00 -1.58 0.00 0.00 42.46 40.27 2jwe s ILE 22 CO 0.08 -0.09 0.43 0.72 -1.23 0.00 0.00 174.94 174.85 2jwe s PHE 23 N -0.78 0.88 -0.23 3.97 -0.71 -1.26 -1.01 117.98 118.83 2jwe s PHE 23 Ca -0.02 -1.14 -0.15 0.00 -1.04 0.00 0.00 56.93 54.57 2jwe s PHE 23 Cb -0.07 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 2jwe s PHE 23 CO 0.00 -1.03 0.37 0.08 -1.34 0.00 0.00 175.22 173.31 2jwe s VAL 24 N -3.48 5.20 -0.00 -2.49 1.01 0.64 -4.79 120.40 116.48 2jwe s VAL 24 Ca 0.29 0.62 -0.22 0.00 0.00 0.00 0.00 61.98 62.67 2jwe s VAL 24 Cb 0.01 -3.70 -0.20 0.00 0.00 0.00 0.00 36.38 32.48 2jwe s VAL 24 CO 0.16 0.21 1.17 0.50 0.00 0.00 0.00 175.10 177.14 2jwe h LYS 25 N 7.74 0.30 -2.03 2.72 1.63 -1.91 0.17 116.57 125.19 2jwe h LYS 25 Ca -0.34 -0.24 0.29 0.00 -0.85 0.00 0.00 60.65 59.50 2jwe h LYS 25 Cb 1.16 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.77 2jwe h LYS 25 CO 0.68 0.89 0.78 -1.83 -3.45 0.00 0.00 179.45 176.52 2jwe s GLU 26 N -3.61 0.65 0.05 1.90 -1.05 -1.26 -4.65 118.70 110.73 2jwe s GLU 26 Ca -0.15 -0.40 0.09 0.00 -0.15 0.00 0.00 54.97 54.36 2jwe s GLU 26 Cb 0.03 0.19 -0.03 0.00 -0.44 0.00 0.00 34.13 33.89 2jwe s GLU 26 CO 0.76 -0.30 -0.25 0.42 0.95 0.00 0.00 175.26 176.84 2jwe s ILE 27 N -2.26 2.02 0.05 1.83 -1.09 -1.26 -4.79 121.20 115.70 2jwe s ILE 27 Ca 0.22 -1.36 -0.18 0.00 -2.23 0.00 0.00 60.65 57.11 2jwe s ILE 27 Cb 0.01 -1.74 -0.06 0.00 -1.58 0.00 0.00 42.46 39.08 2jwe s ILE 27 CO -0.00 0.32 0.51 -0.55 -1.23 0.00 0.00 174.94 173.99 2jwe s SER 28 N -1.25 6.97 0.42 3.58 0.15 -1.26 -5.06 113.70 117.25 2jwe s SER 28 Ca 0.11 1.16 -0.23 0.00 0.70 0.00 0.00 55.95 57.68 2jwe s SER 28 Cb -0.10 -2.32 -0.09 0.00 -1.71 0.00 0.00 66.02 61.81 2jwe s SER 28 CO 0.02 0.29 1.08 -1.58 1.20 0.00 0.00 173.24 174.25 2jwe s GLN 29 N -1.08 4.03 -1.26 5.44 0.74 -1.26 -3.69 119.66 122.57 2jwe s GLN 29 Ca 0.27 1.56 -0.02 0.00 0.05 0.00 0.00 55.36 57.22 2jwe s GLN 29 Cb -0.18 -2.46 0.01 0.00 1.10 0.00 0.00 33.01 31.47 2jwe s GLN 29 CO 0.17 -0.27 0.93 -0.25 -0.55 0.00 0.00 175.29 175.32 2jwe n ASP 30 N -0.27 -2.40 -4.03 6.67 9.92 -1.26 -5.01 116.55 120.17 2jwe n ASP 30 Ca 0.06 -0.68 -0.21 0.00 -0.53 0.00 0.00 54.79 53.43 2jwe n ASP 30 Cb 0.50 -4.76 -0.09 0.00 -0.64 0.00 0.00 41.12 36.13 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 -4.20 1.98 0.30 -2.24 0.01 -1.24 -5.03 113.70 103.28 2jwe s SER 31 Ca 0.10 -1.58 -0.00 0.00 1.31 0.00 0.00 55.95 55.77 2jwe s SER 31 Cb -0.04 0.39 0.49 0.00 0.21 0.00 0.00 66.02 67.06 2jwe s SER 31 CO 0.76 -0.88 1.93 -0.07 0.41 0.00 0.00 173.24 175.39 2jwe h LEU 32 N 2.08 0.92 -0.16 2.44 3.38 -1.95 -1.75 115.31 120.28 2jwe h LEU 32 Ca -0.34 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 2jwe h LEU 32 Cb 1.25 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2jwe h LEU 32 CO 0.54 0.63 0.03 0.00 0.09 0.00 0.00 178.44 179.73 2jwe h ALA 33 N 1.50 0.21 -0.60 1.53 0.00 -1.95 0.40 119.26 120.35 2jwe h ALA 33 Ca 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jwe h ALA 33 Cb 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2jwe h ALA 33 CO -0.11 -0.13 0.38 0.00 0.00 0.00 0.00 179.25 179.38 2jwe h ALA 34 N 0.82 1.55 -0.07 0.00 0.00 -1.65 0.14 119.26 120.04 2jwe h ALA 34 Ca 0.05 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2jwe h ALA 34 Cb 0.29 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jwe h ALA 34 CO 0.00 0.41 -0.62 0.00 0.00 0.00 0.00 179.25 179.04 2jwe h ARG 35 N 0.81 0.55 -0.38 0.00 -0.00 -1.16 -3.28 114.38 110.91 2jwe h ARG 35 Ca 0.22 -0.49 -0.12 0.00 -0.50 0.00 0.00 59.98 59.09 2jwe h ARG 35 Cb -0.07 0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.01 2jwe h ARG 35 CO -0.04 1.12 -0.24 0.22 0.00 0.00 0.00 179.97 181.03 2jwe h ASP 36 N 0.14 0.78 -2.22 7.04 1.82 -0.57 -3.47 116.42 119.93 2jwe h ASP 36 Ca -0.06 -0.29 -0.24 0.00 -0.39 0.00 0.00 57.03 56.06 2jwe h ASP 36 Cb 1.29 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 41.09 2jwe h ASP 36 CO 0.13 0.99 -0.33 0.61 -1.61 0.00 0.00 179.24 179.03 2jwe n GLY 37 N -0.22 -0.07 0.15 -0.78 0.00 0.45 -4.92 105.19 99.81 2jwe n GLY 37 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.49 2.94 -4.67 1.61 3.02 -1.26 -4.99 115.26 111.42 2jwe n ASN 38 Ca -0.11 -0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 54.00 2jwe n ASN 38 Cb 0.59 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 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 -2.16 4.79 0.03 2.41 1.01 -1.26 -5.04 121.20 120.99 2jwe s ILE 39 Ca -0.11 1.89 0.01 0.00 0.00 0.00 0.00 60.65 62.45 2jwe s ILE 39 Cb 0.03 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 2jwe s ILE 39 CO 0.17 -0.03 -0.05 -1.58 0.00 0.00 0.00 174.94 173.45 2jwe s GLN 40 N 2.34 0.41 0.23 2.79 2.00 -1.26 -4.85 119.66 121.31 2jwe s GLN 40 Ca 0.44 -0.67 -0.32 0.00 -2.00 0.00 0.00 55.36 52.81 2jwe s GLN 40 Cb -0.17 -0.08 -0.12 0.00 0.80 0.00 0.00 33.01 33.44 2jwe s GLN 40 CO 0.13 -0.00 1.65 -0.85 -0.50 0.00 0.00 175.29 175.72 2jwe n GLU 41 N 1.56 2.63 0.00 1.67 0.28 -1.26 -1.91 120.64 123.61 2jwe n GLU 41 Ca -0.23 0.94 0.00 0.00 -0.16 0.00 0.00 57.16 57.71 2jwe n GLU 41 Cb 0.55 -2.75 0.00 0.00 1.43 0.00 0.00 31.44 30.66 2jwe n GLU 41 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jwe n GLY 42 N 3.32 3.22 3.63 -1.84 0.00 0.61 -4.97 105.19 109.16 2jwe n GLY 42 Ca 0.14 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.69 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 3.35 -4.54 1.61 8.00 -0.80 -4.54 116.55 119.63 2jwe n ASP 43 Ca 0.00 0.76 -0.42 0.00 0.71 0.00 0.00 54.79 55.84 2jwe n ASP 43 Cb 0.00 -1.41 -0.03 0.00 -0.02 0.00 0.00 41.12 39.66 2jwe n ASP 43 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jwe s VAL 44 N 5.30 3.95 0.01 2.53 1.01 -1.26 -0.26 120.40 131.68 2jwe s VAL 44 Ca 0.96 0.41 -0.28 0.00 0.00 0.00 0.00 61.98 63.08 2jwe s VAL 44 Cb -0.62 -4.80 -0.04 0.00 0.00 0.00 0.00 36.38 30.93 2jwe s VAL 44 CO 0.47 -1.59 0.88 -0.69 0.00 0.00 0.00 175.10 174.17 2jwe s VAL 45 N 5.11 4.83 -0.12 2.92 1.01 -0.18 -0.86 120.40 133.10 2jwe s VAL 45 Ca 0.35 1.84 0.01 0.00 0.00 0.00 0.00 61.98 64.18 2jwe s VAL 45 Cb -0.10 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 31.98 2jwe s VAL 45 CO 0.17 0.24 -0.11 -0.11 0.00 0.00 0.00 175.10 175.30 2jwe n LEU 46 N 3.51 2.97 -4.20 3.92 0.00 0.39 -3.89 117.00 119.70 2jwe n LEU 46 Ca 0.02 -0.06 -0.22 0.00 0.00 0.00 0.00 56.01 55.74 2jwe n LEU 46 Cb 0.51 -0.43 -0.14 0.00 0.00 0.00 0.00 43.42 43.36 2jwe n LEU 46 CO 0.50 0.70 -0.49 -0.54 0.00 0.00 0.00 177.39 177.56 2jwe s LYS 47 N -2.24 1.13 -0.08 1.96 1.02 -1.11 0.29 119.74 120.69 2jwe s LYS 47 Ca -0.16 -0.86 -0.00 0.00 0.02 0.00 0.00 55.97 54.96 2jwe s LYS 47 Cb 0.04 -1.20 0.02 0.00 -0.52 0.00 0.00 37.83 36.18 2jwe s LYS 47 CO 0.28 0.30 -0.05 0.42 -0.92 0.00 0.00 175.35 175.38 2jwe s ILE 48 N -0.86 0.76 -1.20 2.17 1.01 0.20 -0.59 121.20 122.68 2jwe s ILE 48 Ca 0.04 -0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.41 2jwe s ILE 48 Cb -0.08 -0.80 0.12 0.00 0.01 0.00 0.00 42.46 41.70 2jwe s ILE 48 CO 0.02 0.31 0.42 -0.46 0.00 0.00 0.00 174.94 175.23 2jwe n ASN 49 N 4.68 -2.39 -0.32 3.58 0.23 0.25 -0.61 115.26 120.68 2jwe n ASN 49 Ca -0.15 -0.50 0.00 0.00 -0.53 0.00 0.00 54.58 53.41 2jwe n ASN 49 Cb 0.50 -2.05 0.00 0.00 -2.08 0.00 0.00 39.78 36.15 2jwe n ASN 49 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jwe n GLY 50 N -0.98 0.94 3.25 4.83 0.00 -1.26 -4.99 105.19 106.98 2jwe n GLY 50 Ca 0.04 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.64 -0.41 0.35 2.61 2.01 0.22 -5.15 115.64 112.64 2jwe s THR 51 Ca 0.00 0.15 -0.28 0.00 0.31 0.00 0.00 61.69 61.87 2jwe s THR 51 Cb 0.00 -0.63 -0.10 0.00 0.01 0.00 0.00 72.50 71.78 2jwe s THR 51 CO 0.00 0.06 1.29 -0.69 -0.69 0.00 0.00 174.62 174.60 2jwe s VAL 52 N 2.16 2.73 -0.21 3.82 1.01 -1.26 0.58 120.40 129.23 2jwe s VAL 52 Ca -0.04 0.71 0.13 0.00 0.00 0.00 0.00 61.98 62.77 2jwe s VAL 52 Cb -0.11 -3.44 0.43 0.00 0.00 0.00 0.00 36.38 33.26 2jwe s VAL 52 CO -0.12 0.15 1.30 0.41 0.00 0.00 0.00 175.10 176.83 2jwe n THR 53 N 0.60 2.25 -3.47 3.92 -1.04 0.14 -4.87 114.28 111.81 2jwe n THR 53 Ca 0.01 -2.75 -0.32 0.00 -2.04 0.00 0.00 64.05 58.95 2jwe n THR 53 Cb 0.43 -0.26 -0.05 0.00 -1.82 0.00 0.00 70.33 68.62 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 -3.12 3.76 -1.12 -2.82 2.12 -1.26 -4.08 118.70 112.19 2jwe s GLU 54 Ca 0.39 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.92 2jwe s GLU 54 Cb 0.36 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 32.06 2jwe s GLU 54 CO -0.01 0.35 0.00 0.27 -0.54 0.00 0.00 175.26 175.33 2jwe n ASN 55 N -0.09 -2.89 -4.93 -1.70 6.94 0.14 -4.92 115.26 107.81 2jwe n ASN 55 Ca -0.00 0.26 -0.20 0.00 -0.02 0.00 0.00 54.58 54.62 2jwe n ASN 55 Cb 0.52 -2.75 -0.02 0.00 -2.36 0.00 0.00 39.78 35.17 2jwe n ASN 55 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 2jwe s MET 56 N -2.85 2.90 0.25 -3.83 1.75 -1.26 -4.80 119.30 111.46 2jwe s MET 56 Ca 0.00 -1.17 -0.30 0.00 -1.25 0.00 0.00 55.69 52.97 2jwe s MET 56 Cb 0.00 -2.65 -0.09 0.00 2.84 0.00 0.00 34.83 34.93 2jwe s MET 56 CO 0.00 0.03 1.15 -1.54 -0.65 0.00 0.00 175.02 174.01 2jwe s SER 57 N -4.12 7.17 0.37 1.11 1.04 -1.26 -4.92 113.70 113.09 2jwe s SER 57 Ca 0.44 2.29 0.09 0.00 0.48 0.00 0.00 55.95 59.25 2jwe s SER 57 Cb -0.08 -2.62 0.82 0.00 0.10 0.00 0.00 66.02 64.25 2jwe s SER 57 CO 0.29 -0.25 1.92 0.25 0.98 0.00 0.00 173.24 176.44 2jwe h LEU 58 N 4.28 0.61 -0.67 2.42 5.85 -1.97 -1.14 115.31 124.69 2jwe h LEU 58 Ca -0.46 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.29 2jwe h LEU 58 Cb 1.21 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 2jwe h LEU 58 CO 0.69 0.36 0.44 0.74 -0.34 0.00 0.00 178.44 180.33 2jwe h THR 59 N 0.67 1.16 -0.85 1.05 2.02 -2.00 -2.27 112.91 112.70 2jwe h THR 59 Ca 0.36 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 67.28 2jwe h THR 59 Cb 0.51 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 2jwe h THR 59 CO -0.14 0.16 0.54 0.44 0.37 0.00 0.00 175.52 176.89 2jwe h ASP 60 N 0.90 0.87 -0.88 4.18 5.19 -1.60 -1.16 116.42 123.93 2jwe h ASP 60 Ca 0.25 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.72 2jwe h ASP 60 Cb -0.09 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 39.17 2jwe h ASP 60 CO -0.06 0.59 0.58 0.00 -3.12 0.00 0.00 179.24 177.22 2jwe h ALA 61 N 1.37 1.51 -0.51 3.45 0.00 -1.19 -0.02 119.26 123.88 2jwe h ALA 61 Ca 0.35 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2jwe h ALA 61 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2jwe h ALA 61 CO -0.14 0.36 -0.03 0.87 0.00 0.00 0.00 179.25 180.31 2jwe h LYS 62 N 1.02 0.87 -0.47 0.00 1.79 -0.90 -2.90 116.57 115.97 2jwe h LYS 62 Ca 0.37 -0.26 -0.11 0.00 -2.18 0.00 0.00 60.65 58.47 2jwe h LYS 62 Cb 0.16 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2jwe h LYS 62 CO -0.13 0.89 -0.14 1.15 -1.08 0.00 0.00 179.45 180.14 2jwe h THR 63 N 0.80 1.27 -0.91 -0.16 2.02 -0.44 -2.49 112.91 113.00 2jwe h THR 63 Ca 0.15 -1.28 0.13 0.00 0.77 0.00 0.00 66.41 66.18 2jwe h THR 63 Cb 0.52 1.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.98 2jwe h THR 63 CO 0.03 0.44 0.58 -0.07 0.37 0.00 0.00 175.52 176.87 2jwe h LEU 64 N 0.77 0.72 -0.39 2.58 3.38 -0.86 0.19 115.31 121.69 2jwe h LEU 64 Ca 0.12 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 2jwe h LEU 64 Cb 0.70 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2jwe h LEU 64 CO 0.05 0.37 -0.81 0.40 0.09 0.00 0.00 178.44 178.55 2jwe h ILE 65 N 0.76 1.55 0.24 1.22 2.04 -1.40 -2.59 117.51 119.33 2jwe h ILE 65 Ca 0.45 -2.67 -0.01 0.00 1.00 0.00 0.00 64.86 63.63 2jwe h ILE 65 Cb 0.64 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 2jwe h ILE 65 CO -0.21 0.77 -0.11 -0.08 0.00 0.00 0.00 178.15 178.51 2jwe h GLU 66 N 0.03 -0.30 0.00 2.37 4.81 -0.48 -3.23 114.58 117.78 2jwe h GLU 66 Ca -0.02 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2jwe h GLU 66 Cb 1.42 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.87 2jwe h GLU 66 CO 0.11 0.05 -0.03 0.07 -0.73 0.00 0.00 179.01 178.48 2jwe h ARG 67 N -0.92 0.00 -6.08 1.92 0.11 -0.85 -3.42 114.38 105.14 2jwe h ARG 67 Ca -0.03 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.42 2jwe h ARG 67 Cb 0.50 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.57 2jwe h ARG 67 CO 0.05 0.03 1.33 0.43 0.10 0.00 0.00 179.97 181.92 2jwe n SER 68 N -3.82 2.89 -4.37 0.08 7.64 -0.97 -4.95 113.62 110.12 2jwe n SER 68 Ca -0.03 0.54 -0.35 0.00 1.01 0.00 0.00 58.87 60.05 2jwe n SER 68 Cb 0.12 -1.38 -0.13 0.00 -1.01 0.00 0.00 64.21 61.81 2jwe n SER 68 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2jwe s LYS 69 N 5.53 3.48 1.92 1.43 0.00 -1.26 -4.99 119.74 125.85 2jwe s LYS 69 Ca 1.02 -0.58 0.00 0.00 0.00 0.00 0.00 55.97 56.41 2jwe s LYS 69 Cb -0.66 -3.07 0.00 0.00 0.00 0.00 0.00 37.83 34.10 2jwe s LYS 69 CO 0.46 -0.14 0.00 0.41 0.00 0.00 0.00 175.35 176.08 2jwe n GLY 70 N 4.66 0.75 3.71 0.59 0.00 -1.26 -4.89 105.19 108.75 2jwe n GLY 70 Ca -0.18 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 4.33 0.05 1.61 2.20 -1.26 -5.02 119.74 121.64 2jwe s LYS 71 Ca 0.00 2.01 0.02 0.00 -0.36 0.00 0.00 55.97 57.65 2jwe s LYS 71 Cb 0.00 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 2jwe s LYS 71 CO 0.00 -0.43 0.06 -1.17 -0.36 0.00 0.00 175.35 173.45 2jwe s LEU 72 N 1.27 3.74 -0.04 5.43 0.20 -1.26 -5.06 118.68 122.95 2jwe s LEU 72 Ca 0.64 0.01 0.04 0.00 0.69 0.00 0.00 54.13 55.51 2jwe s LEU 72 Cb -0.35 -2.32 -0.00 0.00 -0.43 0.00 0.00 46.19 43.09 2jwe s LEU 72 CO 0.30 0.22 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.88 2jwe s LYS 73 N -2.07 1.65 -0.07 1.98 1.02 -1.26 -4.99 119.74 116.00 2jwe s LYS 73 Ca 0.26 -0.55 -0.02 0.00 0.02 0.00 0.00 55.97 55.67 2jwe s LYS 73 Cb -0.12 -1.44 0.03 0.00 -0.52 0.00 0.00 37.83 35.79 2jwe s LYS 73 CO 0.17 0.21 0.06 -1.64 -0.92 0.00 0.00 175.35 173.24 2jwe s MET 74 N 0.09 0.02 -0.29 1.68 -1.94 -1.26 0.86 119.30 118.46 2jwe s MET 74 Ca -0.04 0.27 -0.13 0.00 -1.71 0.00 0.00 55.69 54.08 2jwe s MET 74 Cb -0.11 -0.79 -0.04 0.00 2.01 0.00 0.00 34.83 35.90 2jwe s MET 74 CO 0.02 -0.39 0.28 0.08 -0.01 0.00 0.00 175.02 175.00 2jwe s VAL 75 N 2.14 5.24 0.34 -6.03 1.01 0.24 -5.00 120.40 118.34 2jwe s VAL 75 Ca 0.04 0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.39 2jwe s VAL 75 Cb -0.13 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2jwe s VAL 75 CO -0.04 0.17 0.04 0.68 0.00 0.00 0.00 175.10 175.94 2jwe s VAL 76 N 1.90 2.72 -0.47 2.92 -7.23 -1.26 -0.46 120.40 118.51 2jwe s VAL 76 Ca 0.10 -1.91 -0.14 0.00 -1.81 0.00 0.00 61.98 58.22 2jwe s VAL 76 Cb -0.16 -2.84 0.08 0.00 0.56 0.00 0.00 36.38 34.03 2jwe s VAL 76 CO 0.11 -0.20 0.38 -1.10 -0.31 0.00 0.00 175.10 173.98 2jwe s GLN 77 N -3.74 2.88 0.09 4.82 1.11 -0.04 -4.75 119.66 120.03 2jwe s GLN 77 Ca 0.35 -1.45 0.00 0.00 0.01 0.00 0.00 55.36 54.28 2jwe s GLN 77 Cb -0.01 -4.08 0.00 0.00 -1.01 0.00 0.00 33.01 27.91 2jwe s GLN 77 CO 0.20 -1.07 0.00 0.54 0.01 0.00 0.00 175.29 174.97 2jwe n ARG 78 N 5.14 0.00 -3.10 2.91 5.12 -1.26 -4.50 116.66 120.96 2jwe n ARG 78 Ca -0.12 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.60 2jwe n ARG 78 Cb 0.43 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.78 2jwe n ARG 78 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2jwe s ASP 79 N -4.71 5.13 -0.17 0.55 1.01 -1.26 -5.15 116.67 112.08 2jwe s ASP 79 Ca 0.00 -0.83 -0.29 0.00 0.71 0.00 0.00 52.55 52.15 2jwe s ASP 79 Cb 0.00 0.19 0.10 0.00 1.01 0.00 0.00 42.92 44.22 2jwe s ASP 79 CO 0.00 -1.25 0.86 -1.83 0.21 0.00 0.00 175.17 173.16 2jwe s GLU 80 N -4.59 0.76 -0.33 8.23 -1.05 -1.26 -5.06 118.70 115.39 2jwe s GLU 80 Ca 0.59 0.40 -0.08 0.00 -0.15 0.00 0.00 54.97 55.73 2jwe s GLU 80 Cb -0.06 0.36 0.01 0.00 -0.44 0.00 0.00 34.13 34.00 2jwe s GLU 80 CO 0.37 -0.19 0.30 -0.11 0.95 0.00 0.00 175.26 176.58 2jwe n LEU 81 N 1.37 -7.24 0.00 1.83 7.94 -1.26 -5.33 117.00 114.32 2jwe n LEU 81 Ca -0.14 0.81 0.00 0.00 -1.11 0.00 0.00 56.01 55.57 2jwe n LEU 81 Cb 0.57 -3.08 0.00 0.00 0.53 0.00 0.00 43.42 41.43 2jwe n LEU 81 CO 0.14 -2.39 0.00 -0.62 -1.11 0.00 0.00 177.39 173.41