#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkc s THR 1 N 0.00 1.14 -0.08 2.61 2.01 -1.26 -5.12 115.64 114.94 2wkc s THR 1 Ca 0.00 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.56 2wkc s THR 1 Cb 0.00 -1.04 -0.00 0.00 0.01 0.00 0.00 72.50 71.46 2wkc s THR 1 CO 0.00 0.36 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.42 2wkc s ILE 2 N 0.63 1.98 -0.15 1.82 -1.09 -1.26 -4.30 121.20 118.82 2wkc s ILE 2 Ca -0.14 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 57.29 2wkc s ILE 2 Cb -0.16 -1.70 -0.00 0.00 -1.58 0.00 0.00 42.46 39.02 2wkc s ILE 2 CO 0.04 0.55 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.51 2wkc s ILE 3 N 0.17 2.72 -0.20 2.92 1.01 -0.73 -4.96 121.20 122.13 2wkc s ILE 3 Ca -0.13 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2wkc s ILE 3 Cb -0.16 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.19 2wkc s ILE 3 CO 0.07 0.52 -0.15 -0.89 0.00 0.00 0.00 174.94 174.48 2wkc s THR 4 N 0.69 2.37 -0.03 2.92 2.01 -1.26 -1.65 115.64 120.68 2wkc s THR 4 Ca -0.07 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.03 2wkc s THR 4 Cb -0.16 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 2wkc s THR 4 CO 0.02 0.43 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.52 2wkc s VAL 5 N 1.31 1.43 -0.16 3.82 1.01 0.70 -5.00 120.40 123.50 2wkc s VAL 5 Ca 0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 2wkc s VAL 5 Cb -0.14 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 2wkc s VAL 5 CO -0.10 0.41 -0.08 -0.89 0.00 0.00 0.00 175.10 174.45 2wkc s THR 6 N -0.09 3.41 -0.03 3.92 2.01 -1.26 -0.65 115.64 122.94 2wkc s THR 6 Ca -0.01 -0.52 -0.16 0.00 0.31 0.00 0.00 61.69 61.31 2wkc s THR 6 Cb -0.10 -2.49 0.03 0.00 0.01 0.00 0.00 72.50 69.95 2wkc s THR 6 CO 0.01 0.48 0.36 0.00 -0.69 0.00 0.00 174.62 174.78 2wkc s ALA 7 N 0.69 -0.91 0.10 7.40 0.00 -0.68 -5.00 121.76 123.36 2wkc s ALA 7 Ca -0.04 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.16 2wkc s ALA 7 Cb -0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.89 2wkc s ALA 7 CO 0.02 -0.26 0.89 -1.14 0.00 0.00 0.00 175.76 175.27 2wkc s GLN 8 N -1.11 4.64 -0.28 0.00 0.74 -1.26 -1.16 119.66 121.22 2wkc s GLN 8 Ca -0.12 1.33 -0.29 0.00 0.05 0.00 0.00 55.36 56.33 2wkc s GLN 8 Cb -0.04 -3.36 0.01 0.00 1.10 0.00 0.00 33.01 30.71 2wkc s GLN 8 CO 0.04 0.26 1.13 0.00 -0.55 0.00 0.00 175.29 176.18 2wkc s ALA 9 N -0.13 3.53 0.34 1.58 0.00 0.27 -4.96 121.76 122.40 2wkc s ALA 9 Ca 0.44 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.50 2wkc s ALA 9 Cb -0.23 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.22 2wkc s ALA 9 CO 0.28 -1.42 0.11 0.27 0.00 0.00 0.00 175.76 174.99 2wkc n ASN 10 N 6.87 1.39 0.29 0.00 0.23 -1.26 0.85 115.26 123.63 2wkc n ASN 10 Ca 0.13 -2.76 0.17 0.00 -0.53 0.00 0.00 54.58 51.58 2wkc n ASN 10 Cb 0.47 0.77 0.84 0.00 -2.08 0.00 0.00 39.78 39.78 2wkc n ASN 10 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2wkc h GLU 11 N 0.00 0.00 0.00 -3.83 5.08 -1.96 -2.55 114.58 111.32 2wkc h GLU 11 Ca -0.27 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.81 2wkc h GLU 11 Cb 0.99 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 2wkc h GLU 11 CO 0.42 0.06 -1.89 1.17 -1.00 0.00 0.00 179.01 177.77 2wkc n LYS 12 N -3.34 0.65 -0.14 2.33 4.81 -1.26 -4.24 118.16 116.97 2wkc n LYS 12 Ca -0.01 0.17 0.09 0.00 -0.87 0.00 0.00 58.31 57.68 2wkc n LYS 12 Cb 0.22 -1.70 0.16 0.00 0.02 0.00 0.00 35.03 33.73 2wkc n LYS 12 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2wkc n ASN 13 N -2.89 3.02 -4.10 3.14 6.94 -1.20 -4.97 115.26 115.20 2wkc n ASN 13 Ca -0.20 -1.88 -0.23 0.00 -0.02 0.00 0.00 54.58 52.25 2wkc n ASN 13 Cb 1.03 -0.18 -0.15 0.00 -2.36 0.00 0.00 39.78 38.11 2wkc n ASN 13 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2wkc s THR 14 N -1.28 1.12 0.01 5.53 2.01 -0.97 -0.08 115.64 121.98 2wkc s THR 14 Ca 0.30 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2wkc s THR 14 Cb 0.18 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.73 2wkc s THR 14 CO 0.25 0.32 -0.02 -0.60 -0.69 0.00 0.00 174.62 173.88 2wkc s ARG 15 N -0.18 0.19 -0.16 4.92 3.52 -0.59 -4.78 118.95 121.87 2wkc s ARG 15 Ca 0.02 -0.33 -0.16 0.00 -0.13 0.00 0.00 55.73 55.13 2wkc s ARG 15 Cb -0.07 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.31 2wkc s ARG 15 CO 0.00 -0.02 0.39 0.99 -0.81 0.00 0.00 175.30 175.85 2wkc s THR 16 N -0.78 5.23 0.11 4.11 2.01 -1.26 -1.09 115.64 123.98 2wkc s THR 16 Ca -0.08 0.74 0.07 0.00 0.31 0.00 0.00 61.69 62.73 2wkc s THR 16 Cb -0.05 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2wkc s THR 16 CO -0.00 0.32 -0.18 0.68 -0.69 0.00 0.00 174.62 174.75 2wkc s VAL 17 N 0.78 1.51 -0.14 3.82 -7.23 -0.09 -4.98 120.40 114.07 2wkc s VAL 17 Ca 0.21 -1.58 -0.21 0.00 -1.81 0.00 0.00 61.98 58.60 2wkc s VAL 17 Cb -0.14 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 2wkc s VAL 17 CO 0.07 -0.21 0.60 -0.94 -0.31 0.00 0.00 175.10 174.31 2wkc s SER 18 N -2.09 6.75 0.50 4.85 1.04 -1.26 -1.11 113.70 122.39 2wkc s SER 18 Ca 0.06 0.91 0.03 0.00 0.48 0.00 0.00 55.95 57.43 2wkc s SER 18 Cb -0.08 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.68 2wkc s SER 18 CO 0.04 -0.15 0.08 0.42 0.98 0.00 0.00 173.24 174.61 2wkc s THR 19 N 1.26 1.37 0.06 2.02 -4.23 -0.01 -4.98 115.64 111.13 2wkc s THR 19 Ca 0.30 -1.90 0.33 0.00 -1.18 0.00 0.00 61.69 59.24 2wkc s THR 19 Cb -0.16 -2.27 0.39 0.00 1.34 0.00 0.00 72.50 71.80 2wkc s THR 19 CO 0.12 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.16 2wkc h ALA 20 N 1.28 1.00 -0.01 3.99 0.00 -2.03 -2.79 119.26 120.70 2wkc h ALA 20 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2wkc h ALA 20 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2wkc h ALA 20 CO 0.72 0.00 -0.03 1.63 0.00 0.00 0.00 179.25 181.57 2wkc n LYS 21 N -3.09 1.54 0.00 0.00 5.02 -1.26 -5.05 118.16 115.32 2wkc n LYS 21 Ca 0.01 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.43 2wkc n LYS 21 Cb 0.32 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2wkc n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wkc n GLY 22 N 1.19 -0.44 3.72 0.72 0.00 -1.05 -5.03 105.19 104.29 2wkc n GLY 22 Ca 0.18 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 2wkc n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wkc s ASP 23 N -4.00 6.83 0.09 1.61 1.11 -1.26 -0.83 116.67 120.23 2wkc s ASP 23 Ca 0.00 1.00 0.03 0.00 0.18 0.00 0.00 52.55 53.76 2wkc s ASP 23 Cb 0.00 -2.35 -0.04 0.00 1.07 0.00 0.00 42.92 41.61 2wkc s ASP 23 CO 0.00 -0.05 -0.08 -0.54 1.18 0.00 0.00 175.17 175.67 2wkc s LYS 24 N 0.69 0.81 -0.10 8.23 1.02 -0.26 -4.97 119.74 125.16 2wkc s LYS 24 Ca 0.32 -1.19 -0.13 0.00 0.02 0.00 0.00 55.97 54.99 2wkc s LYS 24 Cb -0.16 -0.37 -0.05 0.00 -0.52 0.00 0.00 37.83 36.72 2wkc s LYS 24 CO 0.14 0.04 0.31 0.15 -0.92 0.00 0.00 175.35 175.07 2wkc s LYS 25 N -3.07 3.99 -0.14 1.68 1.02 -1.26 -0.91 119.74 121.04 2wkc s LYS 25 Ca 0.06 0.18 -0.01 0.00 0.02 0.00 0.00 55.97 56.22 2wkc s LYS 25 Cb -0.00 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 2wkc s LYS 25 CO -0.02 0.49 -0.10 0.42 -0.92 0.00 0.00 175.35 175.22 2wkc s ILE 26 N -0.34 3.25 -0.07 2.17 1.01 -0.25 0.24 121.20 127.22 2wkc s ILE 26 Ca 0.19 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 60.19 2wkc s ILE 26 Cb -0.14 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 2wkc s ILE 26 CO 0.07 0.51 0.19 -0.51 0.00 0.00 0.00 174.94 175.21 2wkc s ILE 27 N 0.42 5.42 -0.19 2.92 2.07 -0.56 -1.55 121.20 129.73 2wkc s ILE 27 Ca -0.08 0.18 -0.03 0.00 -1.41 0.00 0.00 60.65 59.31 2wkc s ILE 27 Cb -0.15 -3.48 -0.01 0.00 0.13 0.00 0.00 42.46 38.94 2wkc s ILE 27 CO 0.04 0.51 -0.06 -0.44 -1.91 0.00 0.00 174.94 173.08 2wkc s SER 28 N -1.33 4.26 -0.04 4.50 0.01 0.89 -2.30 113.70 119.69 2wkc s SER 28 Ca 0.20 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 57.14 2wkc s SER 28 Cb -0.13 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.39 2wkc s SER 28 CO 0.10 0.04 -0.14 0.68 0.41 0.00 0.00 173.24 174.33 2wkc s VAL 29 N 1.13 1.19 0.32 3.43 -7.23 -0.43 -4.82 120.40 113.98 2wkc s VAL 29 Ca 0.01 -0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 59.32 2wkc s VAL 29 Cb -0.15 -1.04 -0.12 0.00 0.56 0.00 0.00 36.38 35.63 2wkc s VAL 29 CO -0.01 0.35 1.43 -0.81 -0.31 0.00 0.00 175.10 175.75 2wkc n PRO 30 N 3.32 2.35 0.00 4.82 -0.04 -1.26 -0.57 135.00 143.62 2wkc n PRO 30 Ca -0.19 0.83 0.11 0.00 -0.04 0.00 0.00 63.50 64.21 2wkc n PRO 30 Cb 0.53 -2.50 0.14 0.00 -0.04 0.00 0.00 33.50 31.63 2wkc n PRO 30 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wkc n LEU 31 N 1.31 0.69 0.00 1.53 4.77 -0.45 -4.85 117.00 119.99 2wkc n LEU 31 Ca 0.06 -0.17 -0.05 0.00 -0.03 0.00 0.00 56.01 55.82 2wkc n LEU 31 Cb 0.36 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2wkc n LEU 31 CO 0.63 0.17 0.64 2.22 -1.33 0.00 0.00 177.39 179.72 2wkc n PHE 32 N -1.45 -1.73 -3.46 -1.77 1.16 -1.26 -5.06 117.46 103.89 2wkc n PHE 32 Ca 0.05 -1.42 -0.20 0.00 -1.87 0.00 0.00 57.45 54.01 2wkc n PHE 32 Cb 0.34 0.70 -0.02 0.00 -1.61 0.00 0.00 39.48 38.88 2wkc n PHE 32 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2wkc s GLU 33 N -2.06 2.61 0.10 3.97 2.02 -1.26 -4.94 118.70 119.14 2wkc s GLU 33 Ca 0.18 -1.46 0.05 0.00 0.02 0.00 0.00 54.97 53.77 2wkc s GLU 33 Cb -0.03 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.69 2wkc s GLU 33 CO 0.08 -0.19 -0.12 -1.59 0.02 0.00 0.00 175.26 173.45 2wkc s LYS 34 N -4.17 0.90 0.47 1.61 -2.85 -1.26 -5.04 119.74 109.39 2wkc s LYS 34 Ca 0.49 -1.13 -0.23 0.00 -1.00 0.00 0.00 55.97 54.10 2wkc s LYS 34 Cb -0.05 -0.74 -0.07 0.00 -2.06 0.00 0.00 37.83 34.91 2wkc s LYS 34 CO 0.29 0.14 1.23 -2.00 0.10 0.00 0.00 175.35 175.10 2wkc s GLU 35 N -2.45 3.66 0.26 1.78 -6.30 -1.26 -4.94 118.70 109.44 2wkc s GLU 35 Ca 0.04 1.93 -0.02 0.00 -2.50 0.00 0.00 54.97 54.42 2wkc s GLU 35 Cb -0.06 -2.43 0.54 0.00 0.00 0.00 0.00 34.13 32.19 2wkc s GLU 35 CO 0.02 -0.68 1.72 0.87 0.02 0.00 0.00 175.26 177.21 2wkc h LYS 36 N 2.02 0.41 -0.84 4.30 1.57 -2.05 -2.49 116.57 119.49 2wkc h LYS 36 Ca -0.50 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 57.66 2wkc h LYS 36 Cb 1.26 -0.09 -0.37 0.00 0.08 0.00 0.00 32.23 33.10 2wkc h LYS 36 CO 0.60 0.27 -0.14 0.41 -0.57 0.00 0.00 179.45 180.03 2wkc n GLY 37 N -1.33 6.18 3.45 3.86 0.00 -1.26 -5.00 105.19 111.09 2wkc n GLY 37 Ca 0.17 -2.51 -0.34 0.00 0.00 0.00 0.00 46.02 43.34 2wkc n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wkc s SER 38 N -2.88 4.55 -1.32 1.61 0.01 -0.94 -5.04 113.70 109.68 2wkc s SER 38 Ca 0.56 -0.20 -0.12 0.00 1.31 0.00 0.00 55.95 57.50 2wkc s SER 38 Cb 0.45 -1.73 0.12 0.00 0.21 0.00 0.00 66.02 65.07 2wkc s SER 38 CO 0.02 0.16 1.89 -3.20 0.41 0.00 0.00 173.24 172.52 2wkc n ASN 39 N 3.59 4.73 -4.19 2.44 5.15 -1.26 -4.88 115.26 120.85 2wkc n ASN 39 Ca -0.18 -2.99 -0.20 0.00 -0.60 0.00 0.00 54.58 50.61 2wkc n ASN 39 Cb 0.52 -1.58 -0.13 0.00 -0.53 0.00 0.00 39.78 38.07 2wkc n ASN 39 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2wkc s VAL 40 N 1.88 1.26 -0.01 3.44 -7.23 -1.26 -5.15 120.40 113.34 2wkc s VAL 40 Ca 0.44 -1.23 -0.11 0.00 -1.81 0.00 0.00 61.98 59.27 2wkc s VAL 40 Cb 0.08 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 2wkc s VAL 40 CO -0.01 -0.08 0.33 -1.59 -0.31 0.00 0.00 175.10 173.43 2wkc s LYS 41 N -1.51 3.74 -0.13 4.82 -2.85 -1.26 -5.05 119.74 117.49 2wkc s LYS 41 Ca 0.01 0.18 -0.12 0.00 -1.00 0.00 0.00 55.97 55.05 2wkc s LYS 41 Cb -0.09 -3.15 -0.05 0.00 -2.06 0.00 0.00 37.83 32.48 2wkc s LYS 41 CO 0.02 0.68 0.24 0.08 0.10 0.00 0.00 175.35 176.47 2wkc s VAL 42 N -1.16 5.33 0.29 1.79 1.01 -1.26 -5.08 120.40 121.32 2wkc s VAL 42 Ca 0.24 0.44 -0.29 0.00 0.00 0.00 0.00 61.98 62.38 2wkc s VAL 42 Cb -0.15 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 2wkc s VAL 42 CO 0.13 0.49 1.22 0.00 0.00 0.00 0.00 175.10 176.94 2wkc s ALA 43 N -0.19 3.46 -0.12 5.51 0.00 -1.26 -4.96 121.76 124.20 2wkc s ALA 43 Ca 0.16 1.09 -0.00 0.00 0.00 0.00 0.00 51.96 53.20 2wkc s ALA 43 Cb -0.13 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 2wkc s ALA 43 CO 0.04 -0.43 -0.11 0.71 0.00 0.00 0.00 175.76 175.98 2wkc s TYR 44 N -0.95 2.86 -0.04 0.00 2.02 -1.26 -1.34 117.35 118.62 2wkc s TYR 44 Ca 0.48 -0.45 -0.05 0.00 -0.37 0.00 0.00 57.07 56.69 2wkc s TYR 44 Cb -0.36 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 2wkc s TYR 44 CO 0.46 -0.07 0.18 0.20 -1.57 0.00 0.00 175.55 174.74 2wkc s GLY 45 N 0.11 2.18 -0.03 0.71 0.00 0.26 -4.14 107.32 106.42 2wkc s GLY 45 Ca -0.05 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.00 2wkc s GLY 45 CO 0.04 -0.53 -0.08 -0.56 0.00 0.00 0.00 173.10 171.97 2wkc s SER 46 N -1.61 4.56 -0.03 1.64 0.01 -0.38 -1.31 113.70 116.57 2wkc s SER 46 Ca 0.23 -0.11 -0.09 0.00 1.31 0.00 0.00 55.95 57.29 2wkc s SER 46 Cb -0.12 -1.08 0.01 0.00 0.21 0.00 0.00 66.02 65.04 2wkc s SER 46 CO 0.14 0.32 0.20 0.00 0.41 0.00 0.00 173.24 174.31 2wkc s ALA 47 N -0.91 -0.50 0.21 1.44 0.00 -0.97 -1.50 121.76 119.52 2wkc s ALA 47 Ca 0.15 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 2wkc s ALA 47 Cb -0.11 -0.06 -0.08 0.00 0.00 0.00 0.00 23.12 22.87 2wkc s ALA 47 CO 0.05 -0.18 1.19 -0.06 0.00 0.00 0.00 175.76 176.75 2wkc s PHE 48 N -0.86 3.43 0.15 0.00 0.08 -1.26 -1.50 117.98 118.02 2wkc s PHE 48 Ca -0.09 1.47 -0.11 0.00 0.12 0.00 0.00 56.93 58.31 2wkc s PHE 48 Cb -0.05 -3.42 -0.07 0.00 -0.57 0.00 0.00 43.02 38.91 2wkc s PHE 48 CO 0.02 -1.13 0.49 -0.51 -0.10 0.00 0.00 175.22 173.99 2wkc s LEU 49 N -0.50 4.29 0.73 -0.37 1.43 0.14 -4.91 118.68 119.49 2wkc s LEU 49 Ca 0.51 0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 54.38 2wkc s LEU 49 Cb -0.33 -3.31 0.04 0.00 0.03 0.00 0.00 46.19 42.62 2wkc s LEU 49 CO 0.38 0.07 1.16 -2.84 0.23 0.00 0.00 176.35 175.35 2wkc s PRO 50 N -2.25 2.24 0.51 1.29 0.02 -1.26 -4.45 135.00 131.10 2wkc s PRO 50 Ca 0.39 1.57 0.21 0.00 0.02 0.00 0.00 61.00 63.19 2wkc s PRO 50 Cb -0.13 -1.87 1.35 0.00 0.02 0.00 0.00 34.50 33.87 2wkc s PRO 50 CO 0.20 -1.72 2.11 -0.44 -0.33 0.00 0.00 177.00 176.83 2wkc h ASP 51 N -0.43 0.00 1.61 2.53 5.19 -1.97 -2.89 116.42 120.47 2wkc h ASP 51 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2wkc h ASP 51 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 2wkc h ASP 51 CO 0.50 0.08 0.00 2.19 -3.12 0.00 0.00 179.24 178.89 2wkc h PHE 52 N 0.00 0.00 -3.91 4.55 -5.15 -2.05 -3.45 116.94 106.94 2wkc h PHE 52 Ca -0.00 0.00 -0.49 0.00 -0.20 0.00 0.00 57.97 57.28 2wkc h PHE 52 Cb 0.16 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.34 2wkc h PHE 52 CO 0.00 0.00 0.42 0.42 -2.00 0.00 0.00 178.31 177.15 2wkc s ILE 53 N -3.22 3.72 0.09 0.88 1.01 -1.09 -5.06 121.20 117.53 2wkc s ILE 53 Ca 0.08 1.43 0.03 0.00 0.00 0.00 0.00 60.65 62.19 2wkc s ILE 53 Cb 0.09 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2wkc s ILE 53 CO 0.61 0.12 -0.09 -1.10 0.00 0.00 0.00 174.94 174.48 2wkc s GLN 54 N -2.16 0.81 0.08 2.79 -0.21 -1.26 -4.97 119.66 114.74 2wkc s GLN 54 Ca 0.53 -1.18 -0.35 0.00 0.02 0.00 0.00 55.36 54.38 2wkc s GLN 54 Cb -0.24 -0.40 -0.15 0.00 1.00 0.00 0.00 33.01 33.22 2wkc s GLN 54 CO 0.31 0.04 1.56 1.28 -2.12 0.00 0.00 175.29 176.36 2wkc n LEU 55 N 0.44 2.68 0.00 2.90 4.32 -1.26 -1.19 117.00 124.89 2wkc n LEU 55 Ca -0.15 1.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.92 2wkc n LEU 55 Cb 0.58 -1.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.05 2wkc n LEU 55 CO 0.27 -0.49 0.00 0.61 -1.22 0.00 0.00 177.39 176.57 2wkc n GLY 56 N 3.33 2.06 3.76 -0.72 0.00 0.25 -5.00 105.19 108.87 2wkc n GLY 56 Ca 0.19 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2wkc n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wkc s ASP 57 N 0.20 5.85 -0.12 1.61 1.01 -0.33 -4.67 116.67 120.22 2wkc s ASP 57 Ca 0.00 2.45 -0.11 0.00 0.71 0.00 0.00 52.55 55.59 2wkc s ASP 57 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 2wkc s ASP 57 CO 0.00 -1.15 0.25 -0.89 0.21 0.00 0.00 175.17 173.59 2wkc s THR 58 N -1.48 5.32 0.02 -1.27 2.01 -1.26 -0.56 115.64 118.43 2wkc s THR 58 Ca 0.67 0.46 0.03 0.00 0.31 0.00 0.00 61.69 63.16 2wkc s THR 58 Cb -0.32 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 2wkc s THR 58 CO 0.39 0.51 -0.08 0.68 -0.69 0.00 0.00 174.62 175.42 2wkc s VAL 59 N -0.36 0.62 -0.23 3.82 -7.23 -0.31 -0.48 120.40 116.23 2wkc s VAL 59 Ca 0.17 -0.75 -0.08 0.00 -1.81 0.00 0.00 61.98 59.51 2wkc s VAL 59 Cb -0.13 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 36.17 2wkc s VAL 59 CO 0.05 -0.11 0.08 -0.89 -0.31 0.00 0.00 175.10 173.93 2wkc s THR 60 N -0.80 4.61 -0.10 5.32 2.01 0.29 -1.68 115.64 125.29 2wkc s THR 60 Ca -0.03 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.90 2wkc s THR 60 Cb -0.07 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 2wkc s THR 60 CO 0.00 0.37 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.50 2wkc s VAL 61 N 1.22 3.25 -0.15 3.82 1.01 0.18 -0.94 120.40 128.79 2wkc s VAL 61 Ca 0.05 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 2wkc s VAL 61 Cb -0.14 -2.34 0.06 0.00 0.00 0.00 0.00 36.38 33.95 2wkc s VAL 61 CO 0.04 0.55 0.35 -0.55 0.00 0.00 0.00 175.10 175.48 2wkc s SER 62 N -0.10 -0.27 0.00 3.32 0.15 -0.33 -0.21 113.70 116.26 2wkc s SER 62 Ca -0.01 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2wkc s SER 62 Cb -0.14 0.76 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2wkc s SER 62 CO 0.03 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2wkc n GLY 63 N 4.62 -1.25 3.77 9.45 0.00 -0.66 -0.94 105.19 120.18 2wkc n GLY 63 Ca -0.19 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 2wkc n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wkc s ARG 64 N -1.48 4.27 -0.19 1.61 0.52 -1.26 -1.77 118.95 120.66 2wkc s ARG 64 Ca 0.00 2.33 -0.02 0.00 -0.52 0.00 0.00 55.73 57.52 2wkc s ARG 64 Cb 0.00 -3.05 -0.01 0.00 0.52 0.00 0.00 34.95 32.41 2wkc s ARG 64 CO 0.00 -0.32 -0.08 0.08 0.02 0.00 0.00 175.30 175.00 2wkc s VAL 65 N -0.97 3.17 -0.16 3.52 1.01 -1.26 -1.20 120.40 124.51 2wkc s VAL 65 Ca 0.51 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 2wkc s VAL 65 Cb -0.42 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 2wkc s VAL 65 CO 0.54 0.47 -0.10 -1.58 0.00 0.00 0.00 175.10 174.43 2wkc s GLN 66 N 1.07 3.41 0.16 2.72 0.74 0.10 -4.90 119.66 122.95 2wkc s GLN 66 Ca 0.00 -0.66 -0.25 0.00 0.05 0.00 0.00 55.36 54.50 2wkc s GLN 66 Cb -0.15 -2.75 -0.08 0.00 1.10 0.00 0.00 33.01 31.13 2wkc s GLN 66 CO -0.01 0.11 0.78 0.00 -0.55 0.00 0.00 175.29 175.62 2wkc s ALA 67 N 0.64 3.44 -0.03 1.58 0.00 -1.26 0.30 121.76 126.43 2wkc s ALA 67 Ca -0.06 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.22 2wkc s ALA 67 Cb -0.15 -2.97 0.01 0.00 0.00 0.00 0.00 23.12 20.01 2wkc s ALA 67 CO 0.03 0.27 0.13 -1.59 0.00 0.00 0.00 175.76 174.60 2wkc s LYS 68 N -1.07 0.29 0.07 0.00 -2.85 0.34 -4.97 119.74 111.54 2wkc s LYS 68 Ca 0.36 -0.07 -0.05 0.00 -1.00 0.00 0.00 55.97 55.21 2wkc s LYS 68 Cb -0.23 0.13 -0.05 0.00 -2.06 0.00 0.00 37.83 35.62 2wkc s LYS 68 CO 0.26 -0.06 0.30 -1.21 0.10 0.00 0.00 175.35 174.74 2wkc s GLU 69 N -0.56 3.58 -0.21 1.78 2.02 -1.26 -0.17 118.70 123.87 2wkc s GLU 69 Ca -0.06 -0.14 -0.04 0.00 0.02 0.00 0.00 54.97 54.75 2wkc s GLU 69 Cb -0.04 -2.99 0.09 0.00 0.10 0.00 0.00 34.13 31.29 2wkc s GLU 69 CO 0.01 0.58 0.19 0.45 0.02 0.00 0.00 175.26 176.50 2wkc s SER 70 N -2.10 1.86 1.92 -0.19 0.15 0.17 -4.97 113.70 110.55 2wkc s SER 70 Ca 0.34 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.51 2wkc s SER 70 Cb -0.13 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 2wkc s SER 70 CO 0.21 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2wkc n GLY 71 N 5.30 4.07 0.71 9.45 0.00 -1.26 -1.70 105.19 121.77 2wkc n GLY 71 Ca -0.06 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2wkc n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wkc n GLU 72 N 13.84 1.75 -3.19 1.61 1.02 -1.26 -4.96 120.64 129.46 2wkc n GLU 72 Ca 0.00 -1.44 -0.38 0.00 -0.02 0.00 0.00 57.16 55.32 2wkc n GLU 72 Cb 0.00 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 29.89 2wkc n GLU 72 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2wkc s TYR 73 N -2.24 3.80 -0.22 -0.32 5.04 -0.69 -5.07 117.35 117.65 2wkc s TYR 73 Ca 0.24 1.36 0.02 0.00 -2.44 0.00 0.00 57.07 56.25 2wkc s TYR 73 Cb 0.19 -2.57 0.04 0.00 0.35 0.00 0.00 41.96 39.98 2wkc s TYR 73 CO 0.44 0.53 -0.14 0.08 -1.34 0.00 0.00 175.55 175.12 2wkc s VAL 74 N -1.19 2.03 -0.05 3.14 1.01 -1.26 -0.65 120.40 123.43 2wkc s VAL 74 Ca 0.33 -1.31 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 2wkc s VAL 74 Cb -0.20 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2wkc s VAL 74 CO 0.21 0.18 0.37 0.20 0.00 0.00 0.00 175.10 176.06 2wkc s ASN 75 N 1.22 6.69 -0.23 3.32 0.01 0.75 -4.94 114.94 121.76 2wkc s ASN 75 Ca -0.03 0.82 -0.04 0.00 -0.71 0.00 0.00 52.86 52.90 2wkc s ASN 75 Cb -0.17 -2.22 -0.00 0.00 0.41 0.00 0.00 41.25 39.26 2wkc s ASN 75 CO -0.08 0.26 -0.03 -0.31 -1.51 0.00 0.00 177.10 175.44 2wkc s TYR 76 N -0.65 2.99 -0.14 2.20 2.02 -1.26 -0.51 117.35 122.01 2wkc s TYR 76 Ca 0.22 -0.97 0.02 0.00 -0.37 0.00 0.00 57.07 55.97 2wkc s TYR 76 Cb -0.15 -2.12 0.01 0.00 -0.40 0.00 0.00 41.96 39.30 2wkc s TYR 76 CO 0.10 -0.56 -0.21 -0.80 -1.57 0.00 0.00 175.55 172.52 2wkc s ASN 77 N 1.47 3.00 0.16 2.29 0.01 0.15 -1.25 114.94 120.77 2wkc s ASN 77 Ca 0.05 -0.58 -0.31 0.00 -0.71 0.00 0.00 52.86 51.31 2wkc s ASN 77 Cb -0.15 -1.39 -0.10 0.00 0.41 0.00 0.00 41.25 40.03 2wkc s ASN 77 CO -0.02 0.06 1.53 -0.36 -1.51 0.00 0.00 177.10 176.79 2wkc s PHE 78 N 0.91 3.10 -0.42 2.20 0.08 -0.56 0.01 117.98 123.30 2wkc s PHE 78 Ca -0.05 0.70 -0.12 0.00 0.12 0.00 0.00 56.93 57.57 2wkc s PHE 78 Cb -0.15 -3.88 0.06 0.00 -0.57 0.00 0.00 43.02 38.48 2wkc s PHE 78 CO -0.03 -3.21 0.29 0.08 -0.10 0.00 0.00 175.22 172.25 2wkc s VAL 79 N 1.11 4.73 -1.25 -0.44 1.01 -0.34 -4.58 120.40 120.64 2wkc s VAL 79 Ca 0.69 -1.07 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 2wkc s VAL 79 Cb -0.42 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.21 2wkc s VAL 79 CO 0.31 -0.43 0.62 0.49 0.00 0.00 0.00 175.10 176.09 2wkc n PHE 80 N 5.05 -1.50 -1.21 5.22 3.72 -1.26 -4.41 117.46 123.07 2wkc n PHE 80 Ca -0.11 0.24 -0.31 0.00 -0.05 0.00 0.00 57.45 57.22 2wkc n PHE 80 Cb 0.44 -2.98 0.10 0.00 -0.94 0.00 0.00 39.48 36.11 2wkc n PHE 80 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2wkc s PRO 81 N -7.09 2.05 -0.11 -1.08 0.04 -1.26 -4.95 135.00 122.61 2wkc s PRO 81 Ca 0.41 1.16 -0.24 0.00 0.04 0.00 0.00 61.00 62.37 2wkc s PRO 81 Cb -0.21 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2wkc s PRO 81 CO 0.95 -1.78 0.74 0.99 0.04 0.00 0.00 177.00 177.94 2wkc s THR 82 N -2.89 4.99 -0.13 1.26 2.01 -0.12 -4.93 115.64 115.83 2wkc s THR 82 Ca 0.62 1.50 0.01 0.00 0.31 0.00 0.00 61.69 64.13 2wkc s THR 82 Cb -0.18 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.28 2wkc s THR 82 CO 0.56 0.17 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.81 2wkc s VAL 83 N 1.32 1.60 0.09 3.82 1.01 -1.26 -1.19 120.40 125.79 2wkc s VAL 83 Ca 0.37 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2wkc s VAL 83 Cb -0.17 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2wkc s VAL 83 CO 0.16 0.46 -0.09 -1.83 0.00 0.00 0.00 175.10 173.80 2wkc s GLU 84 N 1.18 0.80 0.18 2.72 -1.05 -0.11 -4.99 118.70 117.43 2wkc s GLU 84 Ca -0.02 -1.12 -0.17 0.00 -0.15 0.00 0.00 54.97 53.51 2wkc s GLU 84 Cb -0.14 -0.46 -0.08 0.00 -0.44 0.00 0.00 34.13 33.01 2wkc s GLU 84 CO -0.06 0.07 0.63 0.21 0.95 0.00 0.00 175.26 177.06 2wkc s LYS 85 N -2.75 4.12 -0.17 -4.83 2.20 -1.26 -0.54 119.74 116.51 2wkc s LYS 85 Ca 0.04 0.69 -0.05 0.00 -0.36 0.00 0.00 55.97 56.28 2wkc s LYS 85 Cb -0.03 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.33 2wkc s LYS 85 CO -0.01 0.45 0.01 0.08 -0.36 0.00 0.00 175.35 175.52 2wkc s VAL 86 N -1.46 4.25 -0.10 4.02 1.01 0.37 -4.89 120.40 123.59 2wkc s VAL 86 Ca 0.40 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 2wkc s VAL 86 Cb -0.16 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 2wkc s VAL 86 CO 0.20 0.47 1.10 0.12 0.00 0.00 0.00 175.10 176.99 2wkc s PHE 87 N 0.43 3.34 0.00 5.22 5.36 -1.26 -4.40 117.98 126.67 2wkc s PHE 87 Ca -0.01 1.41 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 2wkc s PHE 87 Cb -0.14 -3.30 0.00 0.00 -0.34 0.00 0.00 43.02 39.25 2wkc s PHE 87 CO 0.02 -0.73 0.00 -0.89 -1.46 0.00 0.00 175.22 172.16