#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 3.16 -0.14 -0.78 2.20 -1.26 -5.11 119.74 117.82 2jwe s LYS 2 Ca 0.00 -0.48 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 2jwe s LYS 2 Cb 0.00 -2.79 -0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2jwe s LYS 2 CO 0.00 0.54 -0.17 0.08 -0.36 0.00 0.00 175.35 175.44 2jwe s VAL 3 N -0.45 2.52 -0.20 4.02 1.01 -1.26 -5.10 120.40 120.95 2jwe s VAL 3 Ca 0.07 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 2jwe s VAL 3 Cb -0.12 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.27 2jwe s VAL 3 CO 0.02 0.53 -0.04 -0.89 0.00 0.00 0.00 175.10 174.72 2jwe s THR 4 N 0.69 1.15 0.17 3.92 2.01 -1.26 -5.13 115.64 117.19 2jwe s THR 4 Ca -0.08 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.11 2jwe s THR 4 Cb -0.16 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 2jwe s THR 4 CO 0.02 -0.03 0.24 -0.76 -0.69 0.00 0.00 174.62 173.40 2jwe s LEU 5 N 1.59 4.14 -0.35 4.42 2.01 -1.26 -5.10 118.68 124.14 2jwe s LEU 5 Ca -0.02 0.04 0.02 0.00 0.01 0.00 0.00 54.13 54.18 2jwe s LEU 5 Cb -0.17 -2.72 0.10 0.00 0.01 0.00 0.00 46.19 43.41 2jwe s LEU 5 CO -0.07 0.04 0.09 -0.69 1.01 0.00 0.00 176.35 176.73 2jwe s VAL 6 N -1.79 1.69 -0.02 -1.59 1.01 -1.26 -5.10 120.40 113.34 2jwe s VAL 6 Ca 0.33 -2.05 -0.30 0.00 0.00 0.00 0.00 61.98 59.96 2jwe s VAL 6 Cb -0.10 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2jwe s VAL 6 CO 0.27 -0.66 1.29 -0.75 0.00 0.00 0.00 175.10 175.25 2jwe s LYS 7 N 1.07 4.33 0.14 2.72 2.20 -1.26 -5.01 119.74 123.92 2jwe s LYS 7 Ca 0.11 1.82 -0.21 0.00 -0.36 0.00 0.00 55.97 57.33 2jwe s LYS 7 Cb -0.19 -3.54 -0.07 0.00 -1.51 0.00 0.00 37.83 32.51 2jwe s LYS 7 CO -0.14 -0.49 0.67 0.45 -0.36 0.00 0.00 175.35 175.48 2jwe s SER 8 N 1.62 7.14 -0.45 1.43 0.15 -1.19 -4.97 113.70 117.44 2jwe s SER 8 Ca 0.60 1.40 -0.28 0.00 0.70 0.00 0.00 55.95 58.37 2jwe s SER 8 Cb -0.28 -2.41 -0.08 0.00 -1.71 0.00 0.00 66.02 61.54 2jwe s SER 8 CO 0.25 0.19 2.37 -1.14 1.20 0.00 0.00 173.24 176.10 2jwe n ARG 9 N 1.37 1.19 -3.42 5.44 3.00 -1.26 -2.46 116.66 120.52 2jwe n ARG 9 Ca -0.07 0.16 -0.22 0.00 -0.00 0.00 0.00 57.85 57.73 2jwe n ARG 9 Cb 0.50 -3.13 -0.02 0.00 0.00 0.00 0.00 32.46 29.81 2jwe n ARG 9 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2jwe n LYS 10 N 8.82 -2.54 -0.02 -0.14 2.85 -1.26 -4.76 118.16 121.11 2jwe n LYS 10 Ca 0.38 0.27 -0.03 0.00 -1.05 0.00 0.00 58.31 57.88 2jwe n LYS 10 Cb 0.44 -4.88 -0.02 0.00 -0.65 0.00 0.00 35.03 29.92 2jwe n LYS 10 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2jwe n ASN 11 N -2.11 3.66 -3.65 -5.58 4.13 -1.03 -5.05 115.26 105.63 2jwe n ASN 11 Ca 0.02 -0.02 -0.04 0.00 1.68 0.00 0.00 54.58 56.21 2jwe n ASN 11 Cb 0.51 -0.06 -0.06 0.00 -1.54 0.00 0.00 39.78 38.63 2jwe n ASN 11 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2jwe s GLU 12 N -2.09 0.58 0.88 3.52 2.12 -1.24 -5.00 118.70 117.47 2jwe s GLU 12 Ca -0.06 1.30 -0.14 0.00 0.36 0.00 0.00 54.97 56.43 2jwe s GLU 12 Cb 0.02 0.52 0.13 0.00 0.26 0.00 0.00 34.13 35.06 2jwe s GLU 12 CO 0.10 -0.19 1.23 -1.83 -0.54 0.00 0.00 175.26 174.03 2jwe s GLU 13 N 2.36 1.37 0.08 4.30 1.03 -1.26 -3.18 118.70 123.40 2jwe s GLU 13 Ca -0.07 -0.06 -0.17 0.00 0.03 0.00 0.00 54.97 54.69 2jwe s GLU 13 Cb -0.09 -1.90 -0.08 0.00 -0.80 0.00 0.00 34.13 31.25 2jwe s GLU 13 CO -0.18 -1.97 1.47 1.88 -1.33 0.00 0.00 175.26 175.12 2jwe h TYR 14 N -1.33 0.60 -4.27 4.83 0.05 -1.98 -3.48 116.97 111.38 2jwe h TYR 14 Ca -0.46 -0.14 -0.32 0.00 0.05 0.00 0.00 58.73 57.86 2jwe h TYR 14 Cb 1.30 -0.14 0.08 0.00 1.01 0.00 0.00 36.73 38.97 2jwe h TYR 14 CO -0.26 0.75 -0.52 0.41 -1.05 0.00 0.00 178.16 177.50 2jwe n GLY 15 N -0.11 -0.27 3.13 3.88 0.00 -1.26 -5.01 105.19 105.56 2jwe n GLY 15 Ca -0.04 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.76 2.63 -0.58 0.99 0.05 -1.26 -5.08 118.68 109.67 2jwe s LEU 16 Ca 0.36 -0.84 -0.28 0.00 0.05 0.00 0.00 54.13 53.42 2jwe s LEU 16 Cb -0.16 -1.54 0.02 0.00 -2.05 0.00 0.00 46.19 42.47 2jwe s LEU 16 CO 0.44 -0.06 1.34 -0.13 -0.55 0.00 0.00 176.35 177.38 2jwe s ARG 17 N 1.26 3.36 0.10 1.48 1.81 -1.26 -5.00 118.95 120.70 2jwe s ARG 17 Ca 0.01 0.35 -0.17 0.00 -1.72 0.00 0.00 55.73 54.19 2jwe s ARG 17 Cb -0.15 -4.09 -0.07 0.00 -0.45 0.00 0.00 34.95 30.19 2jwe s ARG 17 CO -0.09 -1.87 0.55 -1.17 -0.68 0.00 0.00 175.30 172.04 2jwe s LEU 18 N 5.69 4.45 0.25 2.53 1.98 -1.26 -5.08 118.68 127.24 2jwe s LEU 18 Ca 0.48 1.18 -0.02 0.00 -2.89 0.00 0.00 54.13 52.88 2jwe s LEU 18 Cb -0.09 -3.01 -0.03 0.00 0.66 0.00 0.00 46.19 43.71 2jwe s LEU 18 CO 0.24 0.21 0.26 0.00 -1.89 0.00 0.00 176.35 175.18 2jwe s ALA 19 N -1.24 1.01 0.03 5.97 0.00 -1.26 -5.09 121.76 121.18 2jwe s ALA 19 Ca 0.32 -1.61 0.04 0.00 0.00 0.00 0.00 51.96 50.71 2jwe s ALA 19 Cb -0.18 1.32 -0.02 0.00 0.00 0.00 0.00 23.12 24.25 2jwe s ALA 19 CO 0.19 -0.68 -0.12 -1.54 0.00 0.00 0.00 175.76 173.61 2jwe s SER 20 N -3.19 1.43 0.44 0.00 1.04 -1.26 -4.94 113.70 107.22 2jwe s SER 20 Ca 0.35 -0.41 0.07 0.00 0.48 0.00 0.00 55.95 56.45 2jwe s SER 20 Cb 0.04 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 2jwe s SER 20 CO 0.16 0.02 0.31 -2.28 0.98 0.00 0.00 173.24 172.43 2jwe s HIS 21 N -0.78 2.46 -0.03 5.02 2.46 -1.26 0.67 115.29 123.83 2jwe s HIS 21 Ca 0.01 -0.59 0.02 0.00 0.47 0.00 0.00 55.06 54.96 2jwe s HIS 21 Cb -0.07 -2.05 0.01 0.00 -0.13 0.00 0.00 32.58 30.34 2jwe s HIS 21 CO 0.01 -0.08 -0.06 0.42 -2.47 0.00 0.00 174.74 172.55 2jwe s ILE 22 N -2.58 0.61 0.33 0.89 -1.09 -1.24 -4.90 121.20 113.22 2jwe s ILE 22 Ca 0.43 -0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.61 2jwe s ILE 22 Cb -0.00 -0.58 -0.01 0.00 -1.58 0.00 0.00 42.46 40.29 2jwe s ILE 22 CO 0.25 0.21 0.40 0.72 -1.23 0.00 0.00 174.94 175.29 2jwe s PHE 23 N 0.45 1.24 -0.33 3.97 -0.71 -1.26 -0.85 117.98 120.49 2jwe s PHE 23 Ca -0.06 -1.39 -0.09 0.00 -1.04 0.00 0.00 56.93 54.35 2jwe s PHE 23 Cb -0.10 -0.28 0.01 0.00 -1.21 0.00 0.00 43.02 41.45 2jwe s PHE 23 CO 0.00 -1.03 0.14 0.08 -1.34 0.00 0.00 175.22 173.07 2jwe s VAL 24 N -3.25 4.33 0.23 -2.49 1.01 0.18 -4.88 120.40 115.54 2jwe s VAL 24 Ca 0.34 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 2jwe s VAL 24 Cb 0.01 -3.30 0.19 0.00 0.00 0.00 0.00 36.38 33.28 2jwe s VAL 24 CO 0.22 -0.04 1.81 0.50 0.00 0.00 0.00 175.10 177.58 2jwe h LYS 25 N 8.33 0.75 -1.95 2.72 1.63 -1.90 0.44 116.57 126.59 2jwe h LYS 25 Ca -0.29 -0.05 0.28 0.00 -0.85 0.00 0.00 60.65 59.74 2jwe h LYS 25 Cb 1.12 -0.17 -0.08 0.00 -0.60 0.00 0.00 32.23 32.50 2jwe h LYS 25 CO 0.63 0.50 0.75 -1.83 -3.45 0.00 0.00 179.45 176.04 2jwe s GLU 26 N -6.05 0.68 -0.11 1.90 -1.05 -1.26 -4.12 118.70 108.68 2jwe s GLU 26 Ca -0.13 -0.41 -0.01 0.00 -0.15 0.00 0.00 54.97 54.28 2jwe s GLU 26 Cb 0.18 0.21 -0.03 0.00 -0.44 0.00 0.00 34.13 34.06 2jwe s GLU 26 CO 0.78 -0.32 -0.07 0.42 0.95 0.00 0.00 175.26 177.02 2jwe s ILE 27 N -2.40 3.60 0.34 1.83 -1.09 -1.26 -4.90 121.20 117.32 2jwe s ILE 27 Ca 0.19 -0.49 -0.21 0.00 -2.23 0.00 0.00 60.65 57.91 2jwe s ILE 27 Cb 0.01 -2.51 -0.10 0.00 -1.58 0.00 0.00 42.46 38.28 2jwe s ILE 27 CO -0.00 0.55 0.86 -0.44 -1.23 0.00 0.00 174.94 174.67 2jwe s SER 28 N -0.16 7.04 0.46 3.58 0.01 -1.26 -5.04 113.70 118.33 2jwe s SER 28 Ca 0.02 1.60 -0.21 0.00 1.31 0.00 0.00 55.95 58.66 2jwe s SER 28 Cb -0.13 -2.49 -0.08 0.00 0.21 0.00 0.00 66.02 63.52 2jwe s SER 28 CO 0.03 -0.17 1.06 -1.58 0.41 0.00 0.00 173.24 172.99 2jwe s GLN 29 N -2.59 3.86 -1.46 12.44 -0.44 -1.26 -3.50 119.66 126.71 2jwe s GLN 29 Ca 0.53 1.46 -0.09 0.00 -2.50 0.00 0.00 55.36 54.77 2jwe s GLN 29 Cb -0.13 -2.24 0.04 0.00 -1.64 0.00 0.00 33.01 29.03 2jwe s GLN 29 CO 0.18 -0.40 0.85 -0.25 0.50 0.00 0.00 175.29 176.17 2jwe n ASP 30 N -0.70 -5.54 -4.67 6.67 9.92 -1.26 -4.99 116.55 115.98 2jwe n ASP 30 Ca 0.08 -0.50 -0.27 0.00 -0.53 0.00 0.00 54.79 53.58 2jwe n ASP 30 Cb 0.51 -4.44 -0.09 0.00 -0.64 0.00 0.00 41.12 36.46 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 -3.03 4.12 0.24 -2.24 0.01 -1.23 -5.04 113.70 106.54 2jwe s SER 31 Ca 0.49 -1.24 -0.07 0.00 1.31 0.00 0.00 55.95 56.44 2jwe s SER 31 Cb -0.23 -0.43 0.26 0.00 0.21 0.00 0.00 66.02 65.82 2jwe s SER 31 CO 0.61 -0.49 1.90 -0.07 0.41 0.00 0.00 173.24 175.60 2jwe h LEU 32 N 1.62 1.04 -1.15 2.44 3.38 -1.94 -2.07 115.31 118.62 2jwe h LEU 32 Ca -0.43 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.56 2jwe h LEU 32 Cb 1.25 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 2jwe h LEU 32 CO 0.76 0.73 0.58 0.00 0.09 0.00 0.00 178.44 180.61 2jwe h ALA 33 N 1.36 1.47 -0.26 1.53 0.00 -1.94 0.36 119.26 121.78 2jwe h ALA 33 Ca 0.35 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2jwe h ALA 33 Cb -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2jwe h ALA 33 CO -0.09 0.43 -0.28 0.00 0.00 0.00 0.00 179.25 179.31 2jwe h ALA 34 N 1.49 1.04 0.11 0.00 0.00 -1.63 -1.49 119.26 118.78 2jwe h ALA 34 Ca 0.36 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2jwe h ALA 34 Cb 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jwe h ALA 34 CO -0.12 0.58 -0.80 -0.09 0.00 0.00 0.00 179.25 178.82 2jwe h ARG 35 N 0.45 0.35 -0.77 0.00 2.43 -0.90 -3.32 114.38 112.62 2jwe h ARG 35 Ca 0.06 -0.52 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 2jwe h ARG 35 Cb 0.72 0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 2jwe h ARG 35 CO 0.05 1.22 0.37 0.22 -1.51 0.00 0.00 179.97 180.32 2jwe h ASP 36 N -0.26 1.00 -3.30 -3.80 3.58 -0.31 -3.47 116.42 109.85 2jwe h ASP 36 Ca -0.13 -0.11 -0.20 0.00 0.42 0.00 0.00 57.03 57.01 2jwe h ASP 36 Cb 1.59 -0.26 0.07 0.00 1.72 0.00 0.00 39.33 42.45 2jwe h ASP 36 CO 0.15 0.84 -0.33 0.61 -2.88 0.00 0.00 179.24 177.64 2jwe n GLY 37 N -1.06 0.22 1.15 -0.78 0.00 -0.57 -4.94 105.19 99.21 2jwe n GLY 37 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.68 0.05 -4.65 1.61 3.02 -1.25 -5.01 115.26 108.34 2jwe n ASN 38 Ca 0.00 0.01 -0.43 0.00 -0.03 0.00 0.00 54.58 54.13 2jwe n ASN 38 Cb 0.53 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 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 -2.00 4.16 0.43 2.41 1.01 -1.26 -5.02 121.20 120.93 2jwe s ILE 39 Ca 0.00 1.38 0.07 0.00 0.00 0.00 0.00 60.65 62.11 2jwe s ILE 39 Cb 0.00 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 2jwe s ILE 39 CO 0.00 -0.18 0.35 -1.10 0.00 0.00 0.00 174.94 174.01 2jwe s GLN 40 N 3.70 2.43 -0.64 2.79 -1.52 -1.26 -4.83 119.66 120.33 2jwe s GLN 40 Ca 0.58 -1.66 -0.27 0.00 -1.95 0.00 0.00 55.36 52.06 2jwe s GLN 40 Cb -0.23 -2.27 0.01 0.00 -0.22 0.00 0.00 33.01 30.31 2jwe s GLN 40 CO 0.18 -0.24 1.46 -1.21 -0.25 0.00 0.00 175.29 175.23 2jwe s GLU 41 N -4.11 3.12 0.00 2.91 2.02 -1.26 -2.87 118.70 118.51 2jwe s GLU 41 Ca 0.45 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.67 2jwe s GLU 41 Cb -0.02 -4.20 0.00 0.00 0.10 0.00 0.00 34.13 30.01 2jwe s GLU 41 CO 0.26 -2.18 0.00 0.41 0.02 0.00 0.00 175.26 173.77 2jwe n GLY 42 N 5.39 0.96 3.78 -1.39 0.00 0.16 -4.94 105.19 109.15 2jwe n GLY 42 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2jwe n GLY 42 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jwe s ASP 43 N -2.05 6.42 -0.40 1.61 1.47 -1.14 -4.60 116.67 117.98 2jwe s ASP 43 Ca 0.00 2.98 -0.18 0.00 1.18 0.00 0.00 52.55 56.53 2jwe s ASP 43 Cb 0.00 -2.66 0.01 0.00 -0.34 0.00 0.00 42.92 39.93 2jwe s ASP 43 CO 0.00 -0.82 0.49 -0.69 0.68 0.00 0.00 175.17 174.84 2jwe s VAL 44 N -1.07 5.02 0.17 2.11 1.01 -1.26 -0.65 120.40 125.73 2jwe s VAL 44 Ca 0.52 -0.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.16 2jwe s VAL 44 Cb -0.45 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 31.81 2jwe s VAL 44 CO 0.61 -0.39 0.87 -0.69 0.00 0.00 0.00 175.10 175.50 2jwe s VAL 45 N 2.33 4.33 -0.14 2.92 1.01 -0.03 -0.76 120.40 130.06 2jwe s VAL 45 Ca 0.16 1.90 0.00 0.00 0.00 0.00 0.00 61.98 64.04 2jwe s VAL 45 Cb -0.16 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 31.89 2jwe s VAL 45 CO 0.15 0.45 -0.13 0.18 0.00 0.00 0.00 175.10 175.75 2jwe n LEU 46 N 1.94 2.79 -4.02 3.92 4.32 0.19 -4.31 117.00 121.83 2jwe n LEU 46 Ca -0.02 -0.05 -0.08 0.00 -0.02 0.00 0.00 56.01 55.83 2jwe n LEU 46 Cb 0.48 -0.48 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 2jwe n LEU 46 CO 0.49 0.69 -0.23 -0.54 -1.22 0.00 0.00 177.39 176.58 2jwe s LYS 47 N -2.28 0.82 -0.04 3.23 1.02 -1.21 -0.13 119.74 121.15 2jwe s LYS 47 Ca -0.19 -1.19 -0.02 0.00 0.02 0.00 0.00 55.97 54.59 2jwe s LYS 47 Cb 0.05 0.28 0.03 0.00 -0.52 0.00 0.00 37.83 37.67 2jwe s LYS 47 CO 0.32 -0.23 0.05 0.42 -0.92 0.00 0.00 175.35 174.99 2jwe s ILE 48 N -3.94 -0.08 -1.51 2.17 1.01 0.21 -1.38 121.20 117.68 2jwe s ILE 48 Ca 0.12 0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.98 2jwe s ILE 48 Cb 0.06 -0.16 0.17 0.00 0.01 0.00 0.00 42.46 42.54 2jwe s ILE 48 CO -0.06 0.17 0.56 -0.46 0.00 0.00 0.00 174.94 175.14 2jwe n ASN 49 N 5.12 -2.37 -0.41 3.58 0.23 0.23 -0.65 115.26 120.99 2jwe n ASN 49 Ca -0.07 -0.84 0.00 0.00 -0.53 0.00 0.00 54.58 53.14 2jwe n ASN 49 Cb 0.50 -2.02 0.00 0.00 -2.08 0.00 0.00 39.78 36.18 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 -1.08 0.95 3.11 4.83 0.00 -1.26 -5.03 105.19 106.71 2jwe n GLY 50 Ca 0.08 -0.54 -0.12 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 -2.80 -0.03 0.34 2.61 2.01 0.18 -5.14 115.64 112.81 2jwe s THR 51 Ca 0.00 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 2jwe s THR 51 Cb 0.00 -0.42 -0.11 0.00 0.01 0.00 0.00 72.50 71.98 2jwe s THR 51 CO 0.00 0.05 1.42 -0.69 -0.69 0.00 0.00 174.62 174.71 2jwe s VAL 52 N 1.10 2.36 -0.41 3.82 1.01 -1.26 0.65 120.40 127.67 2jwe s VAL 52 Ca -0.08 0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.30 2jwe s VAL 52 Cb -0.09 -3.23 0.45 0.00 0.00 0.00 0.00 36.38 33.52 2jwe s VAL 52 CO -0.08 0.08 1.43 0.41 0.00 0.00 0.00 175.10 176.95 2jwe n THR 53 N 0.84 2.84 -4.95 3.92 -1.04 0.82 -4.81 114.28 111.89 2jwe n THR 53 Ca 0.01 -3.91 -0.29 0.00 -2.04 0.00 0.00 64.05 57.82 2jwe n THR 53 Cb 0.40 -1.15 -0.15 0.00 -1.82 0.00 0.00 70.33 67.61 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 -3.67 1.79 0.00 -2.82 2.12 -1.26 -3.73 118.70 111.13 2jwe s GLU 54 Ca 0.55 -1.02 0.00 0.00 0.36 0.00 0.00 54.97 54.85 2jwe s GLU 54 Cb 0.44 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.94 2jwe s GLU 54 CO 0.01 0.50 0.00 0.09 -0.54 0.00 0.00 175.26 175.31 2jwe n ASN 55 N 1.97 -2.96 -4.87 -1.70 3.02 0.21 -4.93 115.26 106.00 2jwe n ASN 55 Ca -0.17 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.05 2jwe n ASN 55 Cb 0.52 -1.84 -0.05 0.00 -0.61 0.00 0.00 39.78 37.80 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 -0.88 3.78 0.47 3.52 1.75 -1.26 -4.81 119.30 121.86 2jwe s MET 56 Ca 0.00 0.20 -0.22 0.00 -1.25 0.00 0.00 55.69 54.41 2jwe s MET 56 Cb 0.00 -2.90 -0.07 0.00 2.84 0.00 0.00 34.83 34.70 2jwe s MET 56 CO 0.00 0.49 1.16 0.45 -0.65 0.00 0.00 175.02 176.46 2jwe s SER 57 N -1.97 6.12 0.47 1.11 0.15 -1.26 -4.88 113.70 113.44 2jwe s SER 57 Ca 0.38 2.28 0.18 0.00 0.70 0.00 0.00 55.95 59.48 2jwe s SER 57 Cb -0.13 -2.60 1.17 0.00 -1.71 0.00 0.00 66.02 62.75 2jwe s SER 57 CO 0.20 -0.95 2.00 0.25 1.20 0.00 0.00 173.24 175.94 2jwe h LEU 58 N 1.93 0.22 -0.07 3.45 5.85 -1.97 -1.59 115.31 123.12 2jwe h LEU 58 Ca -0.49 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 2jwe h LEU 58 Cb 1.25 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2jwe h LEU 58 CO 0.60 0.13 -0.27 0.74 -0.34 0.00 0.00 178.44 179.29 2jwe h THR 59 N 0.24 1.43 -0.76 1.05 2.02 -2.00 -3.02 112.91 111.86 2jwe h THR 59 Ca 0.25 -1.67 0.11 0.00 0.77 0.00 0.00 66.41 65.87 2jwe h THR 59 Cb 0.67 2.32 -0.05 0.00 -1.74 0.00 0.00 68.15 69.35 2jwe h THR 59 CO -0.05 0.48 0.50 -0.78 0.37 0.00 0.00 175.52 176.04 2jwe h ASP 60 N -0.20 0.54 -0.25 4.18 3.58 -1.69 0.78 116.42 123.36 2jwe h ASP 60 Ca -0.01 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2jwe h ASP 60 Cb 0.91 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 2jwe h ASP 60 CO 0.06 0.31 -0.04 0.00 -2.88 0.00 0.00 179.24 176.68 2jwe h ALA 61 N 1.63 1.24 -0.38 -0.78 0.00 -1.33 -2.30 119.26 117.34 2jwe h ALA 61 Ca 0.36 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2jwe h ALA 61 Cb 0.60 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2jwe h ALA 61 CO -0.13 0.50 0.01 1.57 0.00 0.00 0.00 179.25 181.20 2jwe h LYS 62 N 0.56 0.60 -0.52 0.00 2.10 -0.72 -2.71 116.57 115.88 2jwe h LYS 62 Ca 0.11 -0.13 -0.07 0.00 -2.00 0.00 0.00 60.65 58.56 2jwe h LYS 62 Cb 0.42 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.65 2jwe h LYS 62 CO 0.02 0.61 0.03 1.15 -2.00 0.00 0.00 179.45 179.26 2jwe h THR 63 N 0.57 1.26 -0.79 0.07 2.02 -1.04 -2.73 112.91 112.27 2jwe h THR 63 Ca 0.12 -1.04 0.13 0.00 0.77 0.00 0.00 66.41 66.39 2jwe h THR 63 Cb 0.34 0.92 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 2jwe h THR 63 CO 0.01 0.37 0.52 -0.07 0.37 0.00 0.00 175.52 176.71 2jwe h LEU 64 N 0.76 0.54 -0.98 2.58 3.38 -1.21 0.18 115.31 120.56 2jwe h LEU 64 Ca 0.15 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 2jwe h LEU 64 Cb 0.48 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2jwe h LEU 64 CO 0.02 0.30 -0.44 0.40 0.09 0.00 0.00 178.44 178.80 2jwe h ILE 65 N 0.58 1.32 0.07 1.22 2.04 -1.41 -2.80 117.51 118.53 2jwe h ILE 65 Ca 0.38 -1.57 -0.28 0.00 1.00 0.00 0.00 64.86 64.39 2jwe h ILE 65 Cb 0.66 1.77 0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2jwe h ILE 65 CO -0.14 0.46 -1.15 -0.08 0.00 0.00 0.00 178.15 177.24 2jwe h GLU 66 N 0.12 0.59 0.00 2.37 4.81 -0.62 -3.22 114.58 118.63 2jwe h GLU 66 Ca 0.01 -0.73 -0.02 0.00 -0.13 0.00 0.00 59.36 58.49 2jwe h GLU 66 Cb 0.83 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 2jwe h GLU 66 CO 0.06 1.31 -0.08 -0.09 -0.73 0.00 0.00 179.01 179.49 2jwe h ARG 67 N 0.29 0.00 -5.95 1.92 9.65 -0.83 -3.42 114.38 116.03 2jwe h ARG 67 Ca -0.15 0.00 -0.63 0.00 -1.10 0.00 0.00 59.98 58.10 2jwe h ARG 67 Cb 1.81 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.38 2jwe h ARG 67 CO 0.22 0.08 1.46 -1.13 2.80 0.00 0.00 179.97 183.40 2jwe n SER 68 N -4.14 2.49 -0.21 -3.80 3.41 -1.07 -4.83 113.62 105.48 2jwe n SER 68 Ca -0.03 0.29 -0.01 0.00 -0.26 0.00 0.00 58.87 58.86 2jwe n SER 68 Cb 0.16 -1.37 0.20 0.00 -0.26 0.00 0.00 64.21 62.94 2jwe n SER 68 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2jwe h LYS 69 N 13.63 0.98 0.00 4.33 2.10 -1.91 -3.46 116.57 132.25 2jwe h LYS 69 Ca -0.31 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2jwe h LYS 69 Cb 1.29 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2jwe h LYS 69 CO 1.01 0.73 0.00 0.41 -2.00 0.00 0.00 179.45 179.60 2jwe n GLY 70 N -1.19 -1.85 3.73 0.07 0.00 -1.26 -5.12 105.19 99.57 2jwe n GLY 70 Ca 0.07 0.46 -0.41 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.20 4.60 -0.21 1.61 -2.85 -1.26 -5.05 119.74 115.38 2jwe s LYS 71 Ca 0.00 1.31 0.00 0.00 -1.00 0.00 0.00 55.97 56.29 2jwe s LYS 71 Cb 0.00 -3.40 0.02 0.00 -2.06 0.00 0.00 37.83 32.39 2jwe s LYS 71 CO 0.00 0.15 -0.14 -1.17 0.10 0.00 0.00 175.35 174.28 2jwe s LEU 72 N 0.32 2.59 -0.18 2.77 0.20 -1.26 -4.94 118.68 118.18 2jwe s LEU 72 Ca 0.46 -0.77 -0.07 0.00 0.69 0.00 0.00 54.13 54.44 2jwe s LEU 72 Cb -0.22 -1.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 2jwe s LEU 72 CO 0.27 -0.05 0.06 -0.54 -0.29 0.00 0.00 176.35 175.80 2jwe s LYS 73 N 1.29 3.95 -0.06 1.98 1.02 -1.26 -4.98 119.74 121.68 2jwe s LYS 73 Ca 0.02 -0.34 -0.02 0.00 0.02 0.00 0.00 55.97 55.65 2jwe s LYS 73 Cb -0.15 -3.20 0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2jwe s LYS 73 CO -0.09 0.29 0.12 -1.64 -0.92 0.00 0.00 175.35 173.11 2jwe s MET 74 N 0.31 0.06 -0.22 1.68 -1.94 -1.26 0.77 119.30 118.70 2jwe s MET 74 Ca 0.03 0.36 -0.11 0.00 -1.71 0.00 0.00 55.69 54.25 2jwe s MET 74 Cb -0.12 -0.21 -0.05 0.00 2.01 0.00 0.00 34.83 36.46 2jwe s MET 74 CO 0.00 -0.18 0.19 0.08 -0.01 0.00 0.00 175.02 175.10 2jwe s VAL 75 N 1.27 5.35 0.39 -6.03 1.01 -0.48 -4.98 120.40 116.92 2jwe s VAL 75 Ca -0.08 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.25 2jwe s VAL 75 Cb -0.12 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2jwe s VAL 75 CO -0.05 0.36 0.14 0.68 0.00 0.00 0.00 175.10 176.23 2jwe s VAL 76 N 0.91 2.47 0.34 2.92 -7.23 -1.26 0.54 120.40 119.10 2jwe s VAL 76 Ca 0.10 -1.75 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 2jwe s VAL 76 Cb -0.13 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 2jwe s VAL 76 CO 0.04 -0.06 0.56 -1.58 -0.31 0.00 0.00 175.10 173.74 2jwe s GLN 77 N -3.86 3.51 0.26 4.82 0.74 0.06 -4.88 119.66 120.31 2jwe s GLN 77 Ca 0.39 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.55 2jwe s GLN 77 Cb 0.02 -2.64 0.00 0.00 1.10 0.00 0.00 33.01 31.49 2jwe s GLN 77 CO 0.22 0.14 0.00 0.54 -0.55 0.00 0.00 175.29 175.64 2jwe n ARG 78 N -1.67 -2.01 -3.93 1.67 1.74 -1.26 -4.65 116.66 106.54 2jwe n ARG 78 Ca -0.04 1.54 -0.34 0.00 -0.77 0.00 0.00 57.85 58.23 2jwe n ARG 78 Cb 0.56 -1.84 -0.14 0.00 -1.02 0.00 0.00 32.46 30.01 2jwe n ARG 78 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2jwe s ASP 79 N -3.56 4.79 -0.55 0.55 -1.08 -1.26 -5.04 116.67 110.52 2jwe s ASP 79 Ca 0.00 -1.26 0.04 0.00 -0.52 0.00 0.00 52.55 50.81 2jwe s ASP 79 Cb 0.00 -1.69 0.16 0.00 -1.46 0.00 0.00 42.92 39.93 2jwe s ASP 79 CO 0.00 -0.24 0.37 -0.70 0.52 0.00 0.00 175.17 175.12 2jwe s GLU 80 N 1.24 1.75 0.21 4.34 2.12 -1.26 -5.09 118.70 122.01 2jwe s GLU 80 Ca -0.05 -2.64 -0.12 0.00 0.36 0.00 0.00 54.97 52.51 2jwe s GLU 80 Cb -0.20 -2.66 -0.00 0.00 0.26 0.00 0.00 34.13 31.53 2jwe s GLU 80 CO -0.02 -1.26 0.41 -1.17 -0.54 0.00 0.00 175.26 172.68 2jwe s LEU 81 N -0.52 0.50 0.00 2.70 0.20 -1.26 -5.11 118.68 115.19 2jwe s LEU 81 Ca 0.24 -0.85 0.00 0.00 0.69 0.00 0.00 54.13 54.21 2jwe s LEU 81 Cb -0.10 1.61 0.00 0.00 -0.43 0.00 0.00 46.19 47.27 2jwe s LEU 81 CO -0.11 -1.04 0.00 -0.62 -0.29 0.00 0.00 176.35 174.29