#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkk s LEU 2 N 0.00 4.21 0.11 -0.89 2.96 -1.26 -0.73 118.68 123.07 2wkk s LEU 2 Ca 0.00 0.41 0.09 0.00 -0.22 0.00 0.00 54.13 54.42 2wkk s LEU 2 Cb 0.00 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 2wkk s LEU 2 CO 0.00 0.08 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.57 2wkk s TYR 3 N 0.65 2.00 -0.36 5.38 1.51 0.43 -5.00 117.35 121.97 2wkk s TYR 3 Ca 0.14 -0.40 -0.07 0.00 -1.01 0.00 0.00 57.07 55.73 2wkk s TYR 3 Cb -0.13 -1.10 0.05 0.00 -0.11 0.00 0.00 41.96 40.67 2wkk s TYR 3 CO 0.04 0.25 0.14 -1.01 -1.11 0.00 0.00 175.55 173.86 2wkk s HIS 4 N -1.09 3.28 -0.40 2.71 3.76 -1.26 -1.22 115.29 121.06 2wkk s HIS 4 Ca 0.09 -1.43 -0.15 0.00 -0.15 0.00 0.00 55.06 53.43 2wkk s HIS 4 Cb -0.10 -2.44 0.01 0.00 1.11 0.00 0.00 32.58 31.17 2wkk s HIS 4 CO 0.05 -0.75 0.32 -1.17 -0.85 0.00 0.00 174.74 172.34 2wkk s LEU 5 N 1.41 4.96 0.33 0.89 2.96 -0.75 -4.92 118.68 123.57 2wkk s LEU 5 Ca -0.00 -0.77 -0.13 0.00 -0.22 0.00 0.00 54.13 53.01 2wkk s LEU 5 Cb -0.20 -2.21 -0.08 0.00 0.50 0.00 0.00 46.19 44.20 2wkk s LEU 5 CO 0.03 -0.44 0.72 -0.36 -1.32 0.00 0.00 176.35 174.98 2wkk s PHE 6 N 1.78 3.41 0.44 5.38 0.40 -1.26 -0.91 117.98 127.22 2wkk s PHE 6 Ca 0.07 1.12 -0.25 0.00 -0.60 0.00 0.00 56.93 57.26 2wkk s PHE 6 Cb -0.18 -2.47 -0.08 0.00 0.51 0.00 0.00 43.02 40.80 2wkk s PHE 6 CO 0.11 0.06 1.36 0.54 0.70 0.00 0.00 175.22 177.98 2wkk s VAL 7 N -2.08 2.35 -1.48 -0.44 0.11 -1.26 -2.30 120.40 115.30 2wkk s VAL 7 Ca 0.52 0.30 -0.12 0.00 -2.93 0.00 0.00 61.98 59.76 2wkk s VAL 7 Cb -0.10 -3.18 0.06 0.00 -1.53 0.00 0.00 36.38 31.64 2wkk s VAL 7 CO 0.22 0.04 1.01 0.59 -3.33 0.00 0.00 175.10 173.63 2wkk n ASN 8 N -0.15 -4.88 -1.49 3.54 3.02 0.19 -4.95 115.26 110.54 2wkk n ASN 8 Ca 0.05 -0.73 -0.03 0.00 -0.03 0.00 0.00 54.58 53.84 2wkk n ASN 8 Cb 0.43 -4.15 -0.00 0.00 -0.61 0.00 0.00 39.78 35.45 2wkk n ASN 8 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wkk n ASN 9 N -2.89 -0.40 -4.01 6.41 4.05 -0.97 -5.02 115.26 112.43 2wkk n ASN 9 Ca 0.01 -1.46 -0.10 0.00 0.45 0.00 0.00 54.58 53.49 2wkk n ASN 9 Cb 0.54 0.71 -0.06 0.00 1.23 0.00 0.00 39.78 42.20 2wkk n ASN 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wkk s GLN 10 N -2.16 1.43 -0.05 1.20 -2.07 -1.26 -1.80 119.66 114.94 2wkk s GLN 10 Ca 0.07 -1.28 0.05 0.00 -1.82 0.00 0.00 55.36 52.37 2wkk s GLN 10 Cb -0.00 0.43 -0.01 0.00 -1.09 0.00 0.00 33.01 32.33 2wkk s GLN 10 CO 0.05 -0.57 -0.22 0.14 -1.32 0.00 0.00 175.29 173.37 2wkk s VAL 11 N -4.03 1.83 -0.27 3.63 -7.23 -0.19 -4.81 120.40 109.34 2wkk s VAL 11 Ca 0.24 -0.94 -0.22 0.00 -1.81 0.00 0.00 61.98 59.24 2wkk s VAL 11 Cb 0.01 -1.56 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 2wkk s VAL 11 CO 0.08 0.51 0.73 -0.75 -0.31 0.00 0.00 175.10 175.36 2wkk s LYS 12 N -0.06 4.06 0.42 4.82 2.20 -1.26 -1.94 119.74 127.97 2wkk s LYS 12 Ca -0.05 0.63 -0.24 0.00 -0.36 0.00 0.00 55.97 55.95 2wkk s LYS 12 Cb -0.13 -3.68 -0.08 0.00 -1.51 0.00 0.00 37.83 32.42 2wkk s LYS 12 CO 0.03 -0.54 1.15 -0.51 -0.36 0.00 0.00 175.35 175.13 2wkk s LEU 13 N 2.74 4.13 0.33 5.43 1.43 -0.14 -4.93 118.68 127.67 2wkk s LEU 13 Ca 0.30 2.30 0.11 0.00 -1.03 0.00 0.00 54.13 55.81 2wkk s LEU 13 Cb -0.15 -4.10 0.58 0.00 0.03 0.00 0.00 46.19 42.55 2wkk s LEU 13 CO 0.10 -0.72 1.75 1.56 0.23 0.00 0.00 176.35 179.27 2wkk h GLN 14 N 2.45 0.05 -4.58 1.70 1.08 -1.96 -3.45 115.11 110.40 2wkk h GLN 14 Ca -0.49 -0.02 -0.21 0.00 -1.45 0.00 0.00 58.65 56.48 2wkk h GLN 14 Cb 1.24 -0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.51 2wkk h GLN 14 CO 0.62 0.48 -0.70 -0.80 -0.95 0.00 0.00 178.83 177.48 2wkk s ASN 15 N -6.90 1.01 0.32 1.46 -0.87 -1.26 -5.13 114.94 103.57 2wkk s ASN 15 Ca -0.03 -0.96 -0.29 0.00 -1.57 0.00 0.00 52.86 50.01 2wkk s ASN 15 Cb 0.14 0.10 -0.12 0.00 -0.02 0.00 0.00 41.25 41.36 2wkk s ASN 15 CO 0.74 -0.46 1.50 0.47 -2.57 0.00 0.00 177.10 176.78 2wkk n ASP 16 N 0.13 3.56 -4.61 -1.22 9.92 -1.26 -4.91 116.55 118.15 2wkk n ASP 16 Ca -0.13 1.18 -0.42 0.00 -0.53 0.00 0.00 54.79 54.88 2wkk n ASP 16 Cb 0.60 -1.57 -0.04 0.00 -0.64 0.00 0.00 41.12 39.47 2wkk n ASP 16 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2wkk s PHE 17 N -0.52 3.12 0.28 1.24 5.36 0.23 -4.94 117.98 122.75 2wkk s PHE 17 Ca 0.60 0.78 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 2wkk s PHE 17 Cb -0.52 -3.49 0.00 0.00 -0.34 0.00 0.00 43.02 38.67 2wkk s PHE 17 CO 0.55 -0.74 0.36 0.36 -1.46 0.00 0.00 175.22 174.30 2wkk n LYS 18 N 6.57 0.51 -1.64 10.12 2.85 -1.26 -1.62 118.16 133.69 2wkk n LYS 18 Ca 0.06 -2.30 -0.45 0.00 -1.05 0.00 0.00 58.31 54.57 2wkk n LYS 18 Cb 0.48 2.14 -0.02 0.00 -0.65 0.00 0.00 35.03 36.98 2wkk n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2wkk n PRO 19 N -0.47 1.72 0.00 -1.58 -0.02 -1.26 -0.73 135.00 132.66 2wkk n PRO 19 Ca 0.02 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2wkk n PRO 19 Cb 0.47 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2wkk n PRO 19 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wkk n GLU 20 N 1.17 0.00 -2.22 -0.52 -0.58 0.48 -4.97 120.64 114.00 2wkk n GLU 20 Ca 0.10 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.48 2wkk n GLU 20 Cb 0.32 -0.70 0.00 0.00 -0.57 0.00 0.00 31.44 30.49 2wkk n GLU 20 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2wkk s SER 21 N -1.81 5.81 -0.07 1.62 0.01 0.09 -3.63 113.70 115.73 2wkk s SER 21 Ca 0.00 2.26 0.01 0.00 1.31 0.00 0.00 55.95 59.53 2wkk s SER 21 Cb 0.00 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.66 2wkk s SER 21 CO 0.00 -1.16 -0.08 -0.69 0.41 0.00 0.00 173.24 171.71 2wkk s VAL 22 N -1.66 0.88 -0.24 3.43 1.01 -0.39 -1.61 120.40 121.81 2wkk s VAL 22 Ca 0.70 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 2wkk s VAL 22 Cb -0.27 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.29 2wkk s VAL 22 CO 0.31 0.31 -0.08 0.00 0.00 0.00 0.00 175.10 175.64 2wkk s ALA 23 N 0.96 2.66 -0.44 5.51 0.00 0.54 -0.39 121.76 130.60 2wkk s ALA 23 Ca -0.10 -1.46 -0.13 0.00 0.00 0.00 0.00 51.96 50.28 2wkk s ALA 23 Cb -0.15 -1.63 0.07 0.00 0.00 0.00 0.00 23.12 21.41 2wkk s ALA 23 CO 0.00 -0.79 0.33 0.00 0.00 0.00 0.00 175.76 175.31 2wkk s ALA 24 N 1.31 3.45 -0.20 0.00 0.00 0.23 -0.99 121.76 125.57 2wkk s ALA 24 Ca 0.00 -2.07 -0.13 0.00 0.00 0.00 0.00 51.96 49.76 2wkk s ALA 24 Cb -0.16 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 2wkk s ALA 24 CO -0.05 -1.66 0.29 0.42 0.00 0.00 0.00 175.76 174.75 2wkk s ILE 25 N 1.57 5.29 -0.03 0.00 1.01 0.27 -1.42 121.20 127.89 2wkk s ILE 25 Ca 0.04 0.49 0.02 0.00 0.00 0.00 0.00 60.65 61.20 2wkk s ILE 25 Cb -0.23 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.62 2wkk s ILE 25 CO 0.06 0.33 -0.07 -0.13 0.00 0.00 0.00 174.94 175.12 2wkk s ARG 26 N 0.92 0.89 -0.06 2.79 0.52 0.53 -1.32 118.95 123.22 2wkk s ARG 26 Ca 0.15 -0.24 -0.03 0.00 -0.52 0.00 0.00 55.73 55.08 2wkk s ARG 26 Cb -0.14 -0.84 -0.04 0.00 0.52 0.00 0.00 34.95 34.46 2wkk s ARG 26 CO 0.05 0.06 0.11 0.45 0.02 0.00 0.00 175.30 175.99 2wkk s SER 27 N 0.36 5.98 0.00 0.23 0.15 -0.50 -0.87 113.70 119.05 2wkk s SER 27 Ca -0.05 0.30 0.29 0.00 0.70 0.00 0.00 55.95 57.18 2wkk s SER 27 Cb -0.10 -1.83 1.24 0.00 -1.71 0.00 0.00 66.02 63.62 2wkk s SER 27 CO 0.00 0.34 1.87 -1.54 1.20 0.00 0.00 173.24 175.11 2wkk n SER 28 N 1.58 0.48 -3.92 5.45 3.41 -1.26 -3.87 113.62 115.50 2wkk n SER 28 Ca -0.16 -0.59 -0.09 0.00 -0.26 0.00 0.00 58.87 57.76 2wkk n SER 28 Cb 0.54 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.35 2wkk n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wkk s ALA 29 N -2.46 -0.14 -0.09 7.33 0.00 -1.00 -4.71 121.76 120.70 2wkk s ALA 29 Ca 0.29 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 2wkk s ALA 29 Cb 0.20 0.79 0.02 0.00 0.00 0.00 0.00 23.12 24.13 2wkk s ALA 29 CO 0.47 -0.63 -0.06 0.12 0.00 0.00 0.00 175.76 175.66 2wkk s PHE 30 N -3.94 1.18 -0.63 0.00 5.36 -1.21 -4.02 117.98 114.73 2wkk s PHE 30 Ca 0.14 -0.51 -0.09 0.00 -0.96 0.00 0.00 56.93 55.51 2wkk s PHE 30 Cb 0.03 -1.04 0.16 0.00 -0.34 0.00 0.00 43.02 41.83 2wkk s PHE 30 CO -0.03 -0.41 0.51 -0.80 -1.46 0.00 0.00 175.22 173.04 2wkk s ASN 31 N 1.58 5.94 0.62 6.13 0.01 0.88 -4.94 114.94 125.17 2wkk s ASN 31 Ca 0.01 -2.40 0.40 0.00 -0.71 0.00 0.00 52.86 50.16 2wkk s ASN 31 Cb -0.13 -2.05 2.04 0.00 0.41 0.00 0.00 41.25 41.52 2wkk s ASN 31 CO -0.05 -0.58 2.22 0.77 -1.51 0.00 0.00 177.10 177.95 2wkk h SER 32 N 7.89 0.00 -0.50 -1.22 4.64 -1.93 0.36 113.55 122.79 2wkk h SER 32 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2wkk h SER 32 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2wkk h SER 32 CO 0.80 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 177.05 2wkk n LYS 33 N -3.06 2.19 -1.08 4.77 5.02 -1.26 -4.96 118.16 119.78 2wkk n LYS 33 Ca -0.02 -1.85 -0.29 0.00 -2.02 0.00 0.00 58.31 54.13 2wkk n LYS 33 Cb 0.15 -1.41 0.16 0.00 -0.02 0.00 0.00 35.03 33.92 2wkk n LYS 33 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wkk s GLY 34 N -1.05 1.60 0.00 0.72 0.00 0.12 -5.06 107.32 103.65 2wkk s GLY 34 Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.98 2wkk s GLY 34 CO 0.24 0.45 0.00 0.61 0.00 0.00 0.00 173.10 174.40 2wkk n GLY 35 N -0.78 4.23 3.67 0.20 0.00 0.60 -4.80 105.19 108.33 2wkk n GLY 35 Ca 0.06 -2.05 -0.46 0.00 0.00 0.00 0.00 46.02 43.57 2wkk n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wkk n THR 36 N -0.08 0.10 -4.45 2.61 -1.04 -1.26 -4.28 114.28 105.87 2wkk n THR 36 Ca 0.00 -0.02 -0.25 0.00 -2.04 0.00 0.00 64.05 61.74 2wkk n THR 36 Cb 0.00 -1.64 -0.17 0.00 -1.82 0.00 0.00 70.33 66.70 2wkk n THR 36 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2wkk s THR 37 N 1.44 1.13 -0.05 12.58 2.01 -0.25 -4.37 115.64 128.13 2wkk s THR 37 Ca 0.81 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 62.41 2wkk s THR 37 Cb -0.66 -1.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 2wkk s THR 37 CO 0.39 0.36 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.78 2wkk s VAL 38 N 0.87 1.78 -0.08 3.82 1.01 0.24 -0.53 120.40 127.50 2wkk s VAL 38 Ca -0.11 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.01 2wkk s VAL 38 Cb -0.15 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 2wkk s VAL 38 CO 0.01 0.50 -0.24 -0.36 0.00 0.00 0.00 175.10 175.02 2wkk s PHE 39 N -0.07 2.45 -0.06 5.22 0.40 -0.50 -0.82 117.98 124.60 2wkk s PHE 39 Ca -0.04 -0.91 0.05 0.00 -0.60 0.00 0.00 56.93 55.44 2wkk s PHE 39 Cb -0.13 -1.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.76 2wkk s PHE 39 CO 0.03 -0.34 -0.23 -0.80 0.70 0.00 0.00 175.22 174.58 2wkk s ASN 40 N 0.19 2.78 -0.28 1.36 0.01 -0.41 -0.76 114.94 117.83 2wkk s ASN 40 Ca -0.14 -0.46 -0.13 0.00 -0.71 0.00 0.00 52.86 51.42 2wkk s ASN 40 Cb -0.16 -0.79 -0.04 0.00 0.41 0.00 0.00 41.25 40.66 2wkk s ASN 40 CO 0.07 0.21 0.29 -0.36 -1.51 0.00 0.00 177.10 175.80 2wkk s PHE 41 N -0.07 3.23 -0.03 2.20 0.40 0.06 -0.43 117.98 123.34 2wkk s PHE 41 Ca -0.04 0.21 0.04 0.00 -0.60 0.00 0.00 56.93 56.54 2wkk s PHE 41 Cb -0.13 -2.49 -0.03 0.00 0.51 0.00 0.00 43.02 40.87 2wkk s PHE 41 CO 0.03 -0.22 -0.13 -0.51 0.70 0.00 0.00 175.22 175.09 2wkk s LEU 42 N 1.92 2.80 0.88 -0.37 1.43 -0.27 -0.86 118.68 124.20 2wkk s LEU 42 Ca 0.11 -0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 52.85 2wkk s LEU 42 Cb -0.16 -1.59 0.13 0.00 0.03 0.00 0.00 46.19 44.59 2wkk s LEU 42 CO 0.11 0.32 1.20 -0.94 0.23 0.00 0.00 176.35 177.27 2wkk s SER 43 N -0.97 3.87 0.50 2.29 1.04 -0.34 0.15 113.70 120.23 2wkk s SER 43 Ca 0.13 0.70 0.17 0.00 0.48 0.00 0.00 55.95 57.43 2wkk s SER 43 Cb -0.11 -1.10 1.21 0.00 0.10 0.00 0.00 66.02 66.12 2wkk s SER 43 CO 0.02 -2.30 2.08 0.00 0.98 0.00 0.00 173.24 174.03 2wkk h ALA 44 N -1.33 2.07 -0.30 5.32 0.00 -1.91 0.22 119.26 123.33 2wkk h ALA 44 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2wkk h ALA 44 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2wkk h ALA 44 CO 0.58 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.11 2wkk n GLY 45 N -1.55 0.40 2.30 0.00 0.00 -1.26 -4.91 105.19 100.17 2wkk n GLY 45 Ca 0.02 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 2wkk n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wkk n GLU 46 N 0.37 -0.89 -2.53 1.61 1.02 0.06 -4.73 120.64 115.56 2wkk n GLU 46 Ca 0.10 0.78 -0.40 0.00 -0.02 0.00 0.00 57.16 57.62 2wkk n GLU 46 Cb 0.25 -4.86 -0.05 0.00 -0.02 0.00 0.00 31.44 26.77 2wkk n GLU 46 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2wkk s ASN 47 N -2.69 7.34 -0.73 1.62 0.01 -1.26 -3.88 114.94 115.34 2wkk s ASN 47 Ca 0.00 2.20 -0.21 0.00 -0.71 0.00 0.00 52.86 54.14 2wkk s ASN 47 Cb 0.00 -2.62 0.10 0.00 0.41 0.00 0.00 41.25 39.13 2wkk s ASN 47 CO 0.00 -0.09 0.97 -0.63 -1.51 0.00 0.00 177.10 175.83 2wkk s ILE 48 N -1.09 4.54 0.08 0.60 1.01 0.59 -1.20 121.20 125.73 2wkk s ILE 48 Ca 0.44 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 60.09 2wkk s ILE 48 Cb -0.31 -4.68 -0.12 0.00 0.01 0.00 0.00 42.46 37.36 2wkk s ILE 48 CO 0.39 -1.42 1.35 -0.07 0.00 0.00 0.00 174.94 175.19 2wkk h LEU 49 N 10.81 0.74 -7.23 2.97 3.38 -1.25 -1.55 115.31 123.18 2wkk h LEU 49 Ca -0.15 -0.54 -0.38 0.00 0.09 0.00 0.00 57.88 56.90 2wkk h LEU 49 Cb 1.06 -0.21 -0.39 0.00 0.09 0.00 0.00 40.66 41.21 2wkk h LEU 49 CO 1.14 1.14 -0.72 -0.22 0.09 0.00 0.00 178.44 179.87 2wkk s LEU 50 N -8.79 0.14 -0.17 1.67 2.96 -1.16 -4.63 118.68 108.70 2wkk s LEU 50 Ca -0.12 -0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 2wkk s LEU 50 Cb 0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.66 2wkk s LEU 50 CO 0.84 -0.27 -0.06 -2.28 -1.32 0.00 0.00 176.35 173.26 2wkk s HIS 51 N 2.19 2.95 -0.28 5.38 5.65 -0.07 -0.76 115.29 130.34 2wkk s HIS 51 Ca 0.04 -0.55 0.03 0.00 0.25 0.00 0.00 55.06 54.83 2wkk s HIS 51 Cb -0.13 -1.97 0.07 0.00 -1.18 0.00 0.00 32.58 29.37 2wkk s HIS 51 CO -0.05 -0.22 -0.06 0.42 -0.65 0.00 0.00 174.74 174.18 2wkk s ILE 52 N 0.68 2.13 -0.39 0.89 1.01 0.06 -2.27 121.20 123.32 2wkk s ILE 52 Ca -0.03 -1.79 -0.08 0.00 0.00 0.00 0.00 60.65 58.75 2wkk s ILE 52 Cb -0.15 -2.34 0.06 0.00 0.01 0.00 0.00 42.46 40.05 2wkk s ILE 52 CO 0.02 -0.19 0.21 -0.55 0.00 0.00 0.00 174.94 174.43 2wkk s SER 53 N 1.08 5.54 -0.36 3.58 0.15 0.27 -1.42 113.70 122.54 2wkk s SER 53 Ca -0.03 -1.38 -0.18 0.00 0.70 0.00 0.00 55.95 55.06 2wkk s SER 53 Cb -0.20 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2wkk s SER 53 CO -0.06 -0.46 0.51 -0.63 1.20 0.00 0.00 173.24 173.79 2wkk s ILE 54 N 1.42 5.01 -0.47 6.45 1.01 0.31 -0.81 121.20 134.13 2wkk s ILE 54 Ca 0.02 0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.94 2wkk s ILE 54 Cb -0.22 -3.98 0.13 0.00 0.01 0.00 0.00 42.46 38.39 2wkk s ILE 54 CO 0.02 -0.26 0.22 -0.13 0.00 0.00 0.00 174.94 174.79 2wkk s ARG 55 N 2.38 1.70 0.32 2.79 0.52 0.12 -1.09 118.95 125.70 2wkk s ARG 55 Ca 0.18 -2.31 0.00 0.00 -0.52 0.00 0.00 55.73 53.08 2wkk s ARG 55 Cb -0.16 -3.03 0.54 0.00 0.52 0.00 0.00 34.95 32.82 2wkk s ARG 55 CO 0.14 -1.09 1.99 -1.35 0.02 0.00 0.00 175.30 175.00 2wkk h PRO 56 N 6.78 0.97 -0.43 3.54 0.11 -1.84 0.11 132.00 141.24 2wkk h PRO 56 Ca -0.06 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 2wkk h PRO 56 Cb 0.92 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 2wkk h PRO 56 CO 0.61 0.64 0.20 0.78 -0.21 0.00 0.00 178.00 180.02 2wkk h GLY 57 N 0.99 0.66 0.72 -0.55 0.00 -1.92 -2.25 103.07 100.72 2wkk h GLY 57 Ca 0.28 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2wkk h GLY 57 CO -0.06 0.31 -0.22 1.18 0.00 0.00 0.00 176.54 177.75 2wkk n GLU 58 N -4.67 0.61 -3.65 4.80 1.02 -1.12 -4.95 120.64 112.68 2wkk n GLU 58 Ca 0.01 -0.29 -0.24 0.00 -0.02 0.00 0.00 57.16 56.62 2wkk n GLU 58 Cb 0.12 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.10 2wkk n GLU 58 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2wkk n ASN 59 N -0.94 -4.43 -3.96 1.62 5.15 0.30 -4.99 115.26 108.00 2wkk n ASN 59 Ca 0.12 -0.65 -0.09 0.00 -0.60 0.00 0.00 54.58 53.36 2wkk n ASN 59 Cb 0.32 -4.66 -0.09 0.00 -0.53 0.00 0.00 39.78 34.82 2wkk n ASN 59 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2wkk s VAL 60 N -3.37 0.15 -0.12 3.44 0.11 -0.78 -2.52 120.40 117.31 2wkk s VAL 60 Ca 0.41 -1.27 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 2wkk s VAL 60 Cb -0.19 -1.10 -0.01 0.00 -1.53 0.00 0.00 36.38 33.56 2wkk s VAL 60 CO 0.76 -0.70 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.02 2wkk s ILE 61 N -3.10 2.53 -0.12 7.04 1.01 0.49 -0.70 121.20 128.36 2wkk s ILE 61 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2wkk s ILE 61 Cb 0.02 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 2wkk s ILE 61 CO -0.07 0.54 -0.12 -0.69 0.00 0.00 0.00 174.94 174.60 2wkk s VAL 62 N 0.44 3.16 -0.06 2.92 1.01 0.01 -1.63 120.40 126.25 2wkk s VAL 62 Ca -0.13 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2wkk s VAL 62 Cb -0.17 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2wkk s VAL 62 CO 0.06 0.53 -0.12 -0.36 0.00 0.00 0.00 175.10 175.21 2wkk s PHE 63 N 0.16 2.78 0.34 5.22 0.40 0.37 -0.56 117.98 126.68 2wkk s PHE 63 Ca -0.06 -0.13 -0.18 0.00 -0.60 0.00 0.00 56.93 55.96 2wkk s PHE 63 Cb -0.15 -1.67 0.05 0.00 0.51 0.00 0.00 43.02 41.77 2wkk s PHE 63 CO 0.05 0.21 0.81 1.21 0.70 0.00 0.00 175.22 178.19 2wkk s ASN 64 N -0.68 -0.04 0.04 1.36 3.84 -0.96 -1.57 114.94 116.92 2wkk s ASN 64 Ca 0.10 -0.99 -0.04 0.00 0.21 0.00 0.00 52.86 52.15 2wkk s ASN 64 Cb -0.11 0.78 -0.02 0.00 -0.55 0.00 0.00 41.25 41.35 2wkk s ASN 64 CO 0.01 -1.54 0.06 -0.44 -2.79 0.00 0.00 177.10 172.40 2wkk s SER 65 N -3.08 0.25 -0.03 -4.21 0.01 -1.26 -0.90 113.70 104.48 2wkk s SER 65 Ca 0.15 -0.63 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 2wkk s SER 65 Cb -0.05 0.21 0.07 0.00 0.21 0.00 0.00 66.02 66.46 2wkk s SER 65 CO 0.10 -0.51 0.66 0.00 0.41 0.00 0.00 173.24 173.90 2wkk s ARG 66 N -2.79 1.06 0.70 12.44 1.70 -0.58 -2.89 118.95 128.59 2wkk s ARG 66 Ca -0.03 0.19 -0.11 0.00 -0.47 0.00 0.00 55.73 55.30 2wkk s ARG 66 Cb -0.00 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.89 2wkk s ARG 66 CO -0.06 -0.34 1.07 -0.51 -1.08 0.00 0.00 175.30 174.38 2wkk s LEU 67 N -1.31 3.16 0.22 -1.89 1.43 -1.26 -0.30 118.68 118.73 2wkk s LEU 67 Ca -0.10 1.71 -0.16 0.00 -1.03 0.00 0.00 54.13 54.54 2wkk s LEU 67 Cb -0.00 -4.51 0.23 0.00 0.03 0.00 0.00 46.19 41.94 2wkk s LEU 67 CO 0.08 -1.56 1.58 0.50 0.23 0.00 0.00 176.35 177.18 2wkk h LYS 68 N -0.65 -0.06 -0.32 1.70 3.64 -1.85 -1.24 116.57 117.79 2wkk h LYS 68 Ca -0.44 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.81 2wkk h LYS 68 Cb 1.22 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 2wkk h LYS 68 CO 0.55 -0.04 -0.04 0.09 -2.27 0.00 0.00 179.45 177.74 2wkk n ASN 69 N -5.48 2.85 -4.86 4.20 3.02 -1.26 -5.02 115.26 108.71 2wkk n ASN 69 Ca 0.08 -3.55 -0.26 0.00 -0.03 0.00 0.00 54.58 50.82 2wkk n ASN 69 Cb 0.39 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.92 2wkk n ASN 69 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2wkk s GLY 70 N -2.38 2.43 0.37 7.41 0.00 -0.47 -5.13 107.32 109.55 2wkk s GLY 70 Ca 0.44 -1.32 -0.09 0.00 0.00 0.00 0.00 44.72 43.75 2wkk s GLY 70 CO 0.02 -1.95 0.70 0.00 0.00 0.00 0.00 173.10 171.88 2wkk s ALA 71 N -2.74 3.43 0.60 3.20 0.00 -1.26 -4.59 121.76 120.41 2wkk s ALA 71 Ca 0.33 -0.31 -0.19 0.00 0.00 0.00 0.00 51.96 51.78 2wkk s ALA 71 Cb -0.01 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 2wkk s ALA 71 CO 0.20 0.07 1.25 -1.58 0.00 0.00 0.00 175.76 175.70 2wkk s TRP 72 N -2.28 2.30 0.00 0.00 0.52 -1.26 -4.51 118.94 113.71 2wkk s TRP 72 Ca 0.49 1.49 0.00 0.00 0.02 0.00 0.00 56.10 58.10 2wkk s TRP 72 Cb -0.10 -3.59 0.00 0.00 -1.15 0.00 0.00 33.47 28.63 2wkk s TRP 72 CO 0.31 -2.50 0.00 0.41 0.02 0.00 0.00 176.95 175.19 2wkk n GLY 73 N 0.66 0.61 3.77 0.98 0.00 -1.14 -5.04 105.19 105.03 2wkk n GLY 73 Ca 0.14 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 2wkk n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wkk s PRO 74 N 0.31 3.88 0.26 1.61 0.04 -1.26 -4.92 135.00 134.92 2wkk s PRO 74 Ca 0.00 2.07 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 2wkk s PRO 74 Cb 0.00 -2.65 -0.09 0.00 0.04 0.00 0.00 34.50 31.80 2wkk s PRO 74 CO 0.00 -0.54 0.78 -1.21 0.04 0.00 0.00 177.00 176.07 2wkk s GLU 75 N -2.37 4.29 -0.20 4.56 2.02 -1.26 -4.79 118.70 120.95 2wkk s GLU 75 Ca 0.59 0.95 -0.02 0.00 0.02 0.00 0.00 54.97 56.51 2wkk s GLU 75 Cb -0.36 -2.78 -0.00 0.00 0.10 0.00 0.00 34.13 31.09 2wkk s GLU 75 CO 0.45 0.32 -0.09 -1.21 0.02 0.00 0.00 175.26 174.75 2wkk s GLU 76 N -2.16 3.26 -0.01 1.61 2.02 -0.61 -4.98 118.70 117.83 2wkk s GLU 76 Ca 0.47 -0.69 0.07 0.00 0.02 0.00 0.00 54.97 54.84 2wkk s GLU 76 Cb -0.16 -2.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 2wkk s GLU 76 CO 0.21 -0.18 -0.22 1.03 0.02 0.00 0.00 175.26 176.12 2wkk s ARG 77 N 1.36 2.17 0.10 1.61 0.52 -1.26 -0.48 118.95 122.97 2wkk s ARG 77 Ca 0.05 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 54.37 2wkk s ARG 77 Cb -0.14 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 2wkk s ARG 77 CO -0.06 0.57 -0.04 0.96 0.02 0.00 0.00 175.30 176.75 2wkk s ILE 78 N -0.71 0.54 0.52 1.52 -4.36 -0.64 -4.98 121.20 113.08 2wkk s ILE 78 Ca 0.11 -1.91 -0.21 0.00 -0.26 0.00 0.00 60.65 58.38 2wkk s ILE 78 Cb -0.10 -1.73 -0.06 0.00 1.25 0.00 0.00 42.46 41.82 2wkk s ILE 78 CO 0.01 -0.82 1.21 -2.84 0.24 0.00 0.00 174.94 172.73 2wkk s PRO 79 N -3.88 3.41 -0.04 0.37 0.02 -1.26 -0.38 135.00 133.25 2wkk s PRO 79 Ca 0.13 1.85 0.01 0.00 0.02 0.00 0.00 61.00 63.01 2wkk s PRO 79 Cb 0.06 -2.21 -0.26 0.00 0.02 0.00 0.00 34.50 32.11 2wkk s PRO 79 CO -0.04 -0.86 0.69 -0.92 -0.33 0.00 0.00 177.00 175.54 2wkk h TYR 80 N 1.56 0.31 -3.98 6.54 3.20 -1.74 -3.40 116.97 119.46 2wkk h TYR 80 Ca -0.50 -0.23 -0.54 0.00 3.14 0.00 0.00 58.73 60.60 2wkk h TYR 80 Cb 1.27 -0.01 0.12 0.00 1.54 0.00 0.00 36.73 39.64 2wkk h TYR 80 CO 0.50 1.36 0.73 0.00 -1.64 0.00 0.00 178.16 179.11 2wkk s ALA 81 N -2.60 3.35 -1.45 1.82 0.00 -1.26 -3.13 121.76 118.49 2wkk s ALA 81 Ca -0.11 1.51 -0.07 0.00 0.00 0.00 0.00 51.96 53.29 2wkk s ALA 81 Cb 0.07 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.60 2wkk s ALA 81 CO 0.82 -1.16 0.96 0.39 0.00 0.00 0.00 175.76 176.77 2wkk n GLU 82 N 0.01 -6.72 -0.07 0.00 1.02 -1.26 -4.89 120.64 108.73 2wkk n GLU 82 Ca 0.04 0.85 -0.07 0.00 -0.02 0.00 0.00 57.16 57.96 2wkk n GLU 82 Cb 0.41 -5.83 -0.10 0.00 -0.02 0.00 0.00 31.44 25.89 2wkk n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wkk n LYS 83 N -4.63 1.66 -4.25 3.49 4.76 -1.18 -4.53 118.16 113.48 2wkk n LYS 83 Ca -0.04 0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.11 2wkk n LYS 83 Cb 0.58 -1.34 -0.09 0.00 -1.84 0.00 0.00 35.03 32.34 2wkk n LYS 83 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2wkk s PHE 84 N -2.32 2.86 -0.34 2.13 0.40 -1.26 -0.78 117.98 118.67 2wkk s PHE 84 Ca -0.09 -0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.18 2wkk s PHE 84 Cb 0.04 -1.51 0.10 0.00 0.51 0.00 0.00 43.02 42.16 2wkk s PHE 84 CO 0.52 0.43 0.06 0.50 0.70 0.00 0.00 175.22 177.43 2wkk s ARG 85 N -2.06 1.69 0.77 0.44 3.52 -1.26 -4.93 118.95 117.12 2wkk s ARG 85 Ca 0.22 -1.79 -0.13 0.00 -0.13 0.00 0.00 55.73 53.90 2wkk s ARG 85 Cb -0.11 -3.24 0.06 0.00 -1.56 0.00 0.00 34.95 30.10 2wkk s ARG 85 CO 0.14 -0.91 1.15 -2.14 -0.81 0.00 0.00 175.30 172.73 2wkk s PRO 86 N 0.98 2.01 0.00 5.12 0.02 -1.26 -2.47 135.00 139.40 2wkk s PRO 86 Ca 0.08 1.53 0.25 0.00 0.02 0.00 0.00 61.00 62.88 2wkk s PRO 86 Cb -0.20 -1.84 0.78 0.00 0.02 0.00 0.00 34.50 33.27 2wkk s PRO 86 CO -0.07 -1.88 1.59 -0.35 -0.33 0.00 0.00 177.00 175.96 2wkk n PRO 87 N -3.18 1.85 -3.35 5.54 -0.04 -1.26 -4.88 135.00 129.69 2wkk n PRO 87 Ca 0.12 -1.26 -0.26 0.00 -0.04 0.00 0.00 63.50 62.06 2wkk n PRO 87 Cb 0.51 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 2wkk n PRO 87 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wkk n ASN 88 N 0.50 3.17 -4.76 3.54 5.03 -1.17 -2.36 115.26 119.21 2wkk n ASN 88 Ca 0.17 -3.33 -0.31 0.00 0.87 0.00 0.00 54.58 51.98 2wkk n ASN 88 Cb 0.41 -0.66 0.09 0.00 -1.02 0.00 0.00 39.78 38.60 2wkk n ASN 88 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2wkk s PRO 89 N -2.33 2.28 0.06 3.52 0.04 -1.03 -4.68 135.00 132.86 2wkk s PRO 89 Ca 0.40 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 2wkk s PRO 89 Cb 0.16 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 2wkk s PRO 89 CO -0.04 -1.64 -0.03 -1.54 0.04 0.00 0.00 177.00 173.79 2wkk s SER 90 N -3.17 0.57 -0.04 6.66 1.04 -1.26 -1.41 113.70 116.09 2wkk s SER 90 Ca 0.63 -0.99 -0.00 0.00 0.48 0.00 0.00 55.95 56.07 2wkk s SER 90 Cb -0.18 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.15 2wkk s SER 90 CO 0.53 -0.57 0.00 -0.63 0.98 0.00 0.00 173.24 173.55 2wkk s ILE 91 N -3.81 0.21 -0.14 -1.02 1.01 -0.44 -4.06 121.20 112.95 2wkk s ILE 91 Ca 0.07 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.85 2wkk s ILE 91 Cb 0.07 -0.33 0.01 0.00 0.01 0.00 0.00 42.46 42.22 2wkk s ILE 91 CO -0.09 0.17 -0.20 -0.89 0.00 0.00 0.00 174.94 173.93 2wkk s THR 92 N 1.29 2.21 -0.12 2.92 2.01 -0.26 -0.57 115.64 123.12 2wkk s THR 92 Ca -0.06 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.03 2wkk s THR 92 Cb -0.13 -1.89 -0.00 0.00 0.01 0.00 0.00 72.50 70.48 2wkk s THR 92 CO -0.02 0.54 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 2wkk s VAL 93 N 0.79 2.53 -0.06 3.82 1.01 -0.16 -0.81 120.40 127.53 2wkk s VAL 93 Ca -0.07 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2wkk s VAL 93 Cb -0.16 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.20 2wkk s VAL 93 CO -0.01 0.54 -0.15 -0.63 0.00 0.00 0.00 175.10 174.85 2wkk s ILE 94 N 0.47 1.34 -0.37 2.22 1.01 -0.08 -0.34 121.20 125.45 2wkk s ILE 94 Ca -0.13 -0.62 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 2wkk s ILE 94 Cb -0.17 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.12 2wkk s ILE 94 CO 0.05 0.40 0.69 -0.62 0.00 0.00 0.00 174.94 175.46 2wkk s ASP 95 N 0.42 6.45 -0.21 3.58 -1.08 -0.63 -0.54 116.67 124.66 2wkk s ASP 95 Ca -0.12 0.15 0.15 0.00 -0.52 0.00 0.00 52.55 52.21 2wkk s ASP 95 Cb -0.15 -2.35 0.76 0.00 -1.46 0.00 0.00 42.92 39.73 2wkk s ASP 95 CO 0.04 -0.68 1.69 1.41 0.52 0.00 0.00 175.17 178.15 2wkk n HIS 96 N 6.23 1.84 0.00 -5.34 8.25 0.20 -0.39 115.22 126.01 2wkk n HIS 96 Ca 0.00 -0.74 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 2wkk n HIS 96 Cb 0.48 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.14 2wkk n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wkk n GLY 97 N 0.49 2.07 0.05 -1.41 0.00 -1.26 -4.32 105.19 100.80 2wkk n GLY 97 Ca 0.27 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2wkk n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wkk n ASP 98 N 3.80 0.64 -3.51 1.61 5.75 -1.26 -4.93 116.55 118.65 2wkk n ASP 98 Ca 0.00 -0.07 -0.13 0.00 -0.01 0.00 0.00 54.79 54.59 2wkk n ASP 98 Cb 0.00 0.63 -0.04 0.00 -1.03 0.00 0.00 41.12 40.68 2wkk n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wkk s ARG 99 N -3.21 1.15 0.06 0.11 1.70 -1.26 -1.66 118.95 115.84 2wkk s ARG 99 Ca 0.04 -0.40 -0.08 0.00 -0.47 0.00 0.00 55.73 54.81 2wkk s ARG 99 Cb 0.14 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.99 2wkk s ARG 99 CO 0.78 -0.46 0.35 -0.06 -1.08 0.00 0.00 175.30 174.83 2wkk s PHE 100 N -3.22 3.57 -0.17 5.89 0.40 0.17 -0.63 117.98 123.99 2wkk s PHE 100 Ca -0.01 0.68 -0.08 0.00 -0.60 0.00 0.00 56.93 56.92 2wkk s PHE 100 Cb -0.00 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 2wkk s PHE 100 CO -0.08 0.55 0.08 -1.14 0.70 0.00 0.00 175.22 175.32 2wkk s GLN 101 N -1.94 3.92 -0.14 0.44 0.74 0.30 -0.80 119.66 122.18 2wkk s GLN 101 Ca 0.32 -0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.44 2wkk s GLN 101 Cb -0.13 -3.23 0.02 0.00 1.10 0.00 0.00 33.01 30.76 2wkk s GLN 101 CO 0.18 0.35 -0.17 0.42 -0.55 0.00 0.00 175.29 175.52 2wkk s ILE 102 N 0.17 1.74 -0.11 -2.34 1.09 0.50 -0.90 121.20 121.35 2wkk s ILE 102 Ca 0.06 -0.76 0.02 0.00 -1.10 0.00 0.00 60.65 58.86 2wkk s ILE 102 Cb -0.12 -1.59 0.02 0.00 -1.06 0.00 0.00 42.46 39.71 2wkk s ILE 102 CO 0.00 0.49 -0.15 -0.13 -0.10 0.00 0.00 174.94 175.05 2wkk s ARG 103 N 1.18 2.23 0.00 2.79 0.52 0.01 -0.80 118.95 124.89 2wkk s ARG 103 Ca -0.01 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 2wkk s ARG 103 Cb -0.14 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.42 2wkk s ARG 103 CO -0.07 -0.08 0.00 1.19 0.02 0.00 0.00 175.30 176.36 2wkk n PHE 104 N 4.26 0.00 0.03 -0.53 3.01 -1.26 -1.10 117.46 121.87 2wkk n PHE 104 Ca -0.19 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.25 2wkk n PHE 104 Cb 0.51 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.89 2wkk n PHE 104 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2wkk h ASP 105 N 0.00 0.00 -3.60 4.37 3.32 -1.10 -3.46 116.42 115.95 2wkk h ASP 105 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 2wkk h ASP 105 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 2wkk h ASP 105 CO 0.00 0.72 -0.73 -0.31 -1.72 0.00 0.00 179.24 177.20 2wkk s TYR 106 N -2.82 1.49 0.00 4.55 1.51 -0.81 -4.94 117.35 116.33 2wkk s TYR 106 Ca -0.02 -0.66 0.00 0.00 -1.01 0.00 0.00 57.07 55.38 2wkk s TYR 106 Cb 0.08 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 41.21 2wkk s TYR 106 CO 0.81 0.22 0.00 0.41 -1.11 0.00 0.00 175.55 175.88 2wkk n GLY 107 N -0.25 -0.85 3.85 0.71 0.00 -1.26 -4.77 105.19 102.63 2wkk n GLY 107 Ca -0.09 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 2wkk n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wkk s THR 108 N -1.83 4.43 0.74 2.61 -4.23 -1.26 -4.86 115.64 111.24 2wkk s THR 108 Ca 0.00 0.80 -0.14 0.00 -1.18 0.00 0.00 61.69 61.17 2wkk s THR 108 Cb 0.00 -3.68 0.05 0.00 1.34 0.00 0.00 72.50 70.21 2wkk s THR 108 CO 0.00 -1.02 1.17 -0.44 -0.54 0.00 0.00 174.62 173.79 2wkk s SER 109 N -3.99 4.25 -0.17 3.99 0.01 -1.26 -4.87 113.70 111.66 2wkk s SER 109 Ca 0.56 2.21 -0.08 0.00 1.31 0.00 0.00 55.95 59.95 2wkk s SER 109 Cb -0.12 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 2wkk s SER 109 CO 0.54 -2.22 0.12 -0.63 0.41 0.00 0.00 173.24 171.45 2wkk s ILE 110 N -2.22 5.29 -0.15 1.44 1.09 0.02 -4.95 121.20 121.71 2wkk s ILE 110 Ca 0.71 0.14 -0.02 0.00 -1.10 0.00 0.00 60.65 60.37 2wkk s ILE 110 Cb -0.25 -3.37 -0.02 0.00 -1.06 0.00 0.00 42.46 37.76 2wkk s ILE 110 CO 0.47 0.50 -0.08 -0.31 -0.10 0.00 0.00 174.94 175.42 2wkk s TYR 111 N -0.10 2.92 -0.24 3.97 1.51 -1.26 -0.37 117.35 123.78 2wkk s TYR 111 Ca 0.09 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.66 2wkk s TYR 111 Cb -0.12 -1.92 0.06 0.00 -0.11 0.00 0.00 41.96 39.88 2wkk s TYR 111 CO 0.00 -0.16 -0.07 -0.47 -1.11 0.00 0.00 175.55 173.74 2wkk s TYR 112 N 0.46 2.73 0.27 2.71 5.04 0.02 -4.97 117.35 123.61 2wkk s TYR 112 Ca -0.06 -1.98 -0.30 0.00 -2.44 0.00 0.00 57.07 52.29 2wkk s TYR 112 Cb -0.15 -1.71 -0.11 0.00 0.35 0.00 0.00 41.96 40.34 2wkk s TYR 112 CO 0.04 -0.82 1.54 -0.80 -1.34 0.00 0.00 175.55 174.18 2wkk s ASN 113 N 1.28 6.48 0.37 4.32 0.02 -1.26 -0.65 114.94 125.49 2wkk s ASN 113 Ca -0.07 2.84 -0.28 0.00 -1.02 0.00 0.00 52.86 54.33 2wkk s ASN 113 Cb -0.19 -2.63 -0.11 0.00 0.02 0.00 0.00 41.25 38.34 2wkk s ASN 113 CO -0.06 -0.84 1.45 -0.54 0.02 0.00 0.00 177.10 177.13 2wkk s LYS 114 N -0.35 4.16 -0.02 -0.60 1.02 -0.66 -4.88 119.74 118.41 2wkk s LYS 114 Ca 0.62 2.50 0.03 0.00 0.02 0.00 0.00 55.97 59.15 2wkk s LYS 114 Cb -0.46 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 2wkk s LYS 114 CO 0.45 -0.46 0.04 0.54 -0.92 0.00 0.00 175.35 174.99 2wkk n ARG 115 N 0.56 2.16 -4.08 1.68 1.74 -1.26 -4.96 116.66 112.49 2wkk n ARG 115 Ca 0.01 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.75 2wkk n ARG 115 Cb 0.40 -1.08 -0.16 0.00 -1.02 0.00 0.00 32.46 30.59 2wkk n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wkk s ILE 116 N -2.15 1.96 -1.38 0.55 1.01 -1.26 -5.05 121.20 114.89 2wkk s ILE 116 Ca -0.02 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.52 2wkk s ILE 116 Cb 0.01 -1.85 0.10 0.00 0.01 0.00 0.00 42.46 40.73 2wkk s ILE 116 CO 0.14 0.40 2.15 2.29 0.00 0.00 0.00 174.94 179.93 2wkk n LYS 117 N 4.62 3.49 -4.06 2.79 0.00 -1.26 -4.85 118.16 118.89 2wkk n LYS 117 Ca -0.19 -3.09 -0.09 0.00 -0.00 0.00 0.00 58.31 54.95 2wkk n LYS 117 Cb 0.48 -3.00 -0.10 0.00 -0.00 0.00 0.00 35.03 32.41 2wkk n LYS 117 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2wkk s GLU 118 N 1.29 0.52 0.57 -1.58 2.02 -1.26 -5.16 118.70 115.10 2wkk s GLU 118 Ca 0.46 -0.98 -0.09 0.00 0.02 0.00 0.00 54.97 54.39 2wkk s GLU 118 Cb 0.13 0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.41 2wkk s GLU 118 CO -0.04 -0.06 0.94 -0.80 0.02 0.00 0.00 175.26 175.32 2wkk s ASN 119 N -2.30 6.25 0.03 -0.19 0.01 -1.26 -5.00 114.94 112.48 2wkk s ASN 119 Ca -0.02 1.25 -0.18 0.00 -0.71 0.00 0.00 52.86 53.21 2wkk s ASN 119 Cb -0.00 -2.39 -0.06 0.00 0.41 0.00 0.00 41.25 39.20 2wkk s ASN 119 CO -0.05 -0.76 0.50 0.00 -1.51 0.00 0.00 177.10 175.28 2wkk s ALA 120 N -3.02 3.62 -0.37 0.60 0.00 -0.64 -4.33 121.76 117.61 2wkk s ALA 120 Ca 0.52 -0.07 0.12 0.00 0.00 0.00 0.00 51.96 52.52 2wkk s ALA 120 Cb -0.11 -2.54 -0.14 0.00 0.00 0.00 0.00 23.12 20.32 2wkk s ALA 120 CO 0.50 0.40 0.42 0.00 0.00 0.00 0.00 175.76 177.08 2wkk n ALA 121 N 1.91 3.16 -3.07 0.00 0.00 0.12 -0.60 120.51 122.03 2wkk n ALA 121 Ca -0.11 -0.31 -0.11 0.00 0.00 0.00 0.00 53.44 52.90 2wkk n ALA 121 Cb 0.51 -0.41 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 2wkk n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wkk s ALA 122 N -2.32 -1.01 -0.08 0.00 0.00 -0.94 -0.97 121.76 116.45 2wkk s ALA 122 Ca 0.02 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.09 2wkk s ALA 122 Cb 0.08 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.83 2wkk s ALA 122 CO 0.48 -0.61 -0.16 0.42 0.00 0.00 0.00 175.76 175.89 2wkk s ILE 123 N -3.47 1.43 0.24 0.00 1.01 -0.82 -1.11 121.20 118.49 2wkk s ILE 123 Ca 0.01 -0.65 0.10 0.00 0.00 0.00 0.00 60.65 60.11 2wkk s ILE 123 Cb 0.01 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 2wkk s ILE 123 CO -0.10 0.42 -0.08 0.00 0.00 0.00 0.00 174.94 175.19 2wkk s ALA 124 N 0.57 3.00 -0.09 9.38 0.00 0.42 -1.02 121.76 134.02 2wkk s ALA 124 Ca -0.16 -1.65 -0.03 0.00 0.00 0.00 0.00 51.96 50.12 2wkk s ALA 124 Cb -0.16 -0.64 0.05 0.00 0.00 0.00 0.00 23.12 22.36 2wkk s ALA 124 CO 0.05 0.33 0.14 -0.47 0.00 0.00 0.00 175.76 175.81 2wkk s TYR 125 N -2.18 -0.12 -0.02 0.00 5.04 -0.74 -1.28 117.35 118.05 2wkk s TYR 125 Ca 0.29 0.47 0.03 0.00 -2.44 0.00 0.00 57.07 55.41 2wkk s TYR 125 Cb -0.07 -0.33 -0.00 0.00 0.35 0.00 0.00 41.96 41.91 2wkk s TYR 125 CO 0.17 -0.29 -0.09 -0.80 -1.34 0.00 0.00 175.55 173.20 2wkk s ASN 126 N 2.26 1.17 -0.28 4.32 0.01 0.00 0.56 114.94 122.99 2wkk s ASN 126 Ca 0.04 -0.18 -0.26 0.00 -0.71 0.00 0.00 52.86 51.75 2wkk s ASN 126 Cb -0.12 -0.22 0.16 0.00 0.41 0.00 0.00 41.25 41.47 2wkk s ASN 126 CO -0.06 0.09 1.23 0.00 -1.51 0.00 0.00 177.10 176.85 2wkk s ALA 127 N -0.02 -2.09 0.08 0.60 0.00 -1.26 -0.59 121.76 118.48 2wkk s ALA 127 Ca 0.00 1.77 0.07 0.00 0.00 0.00 0.00 51.96 53.80 2wkk s ALA 127 Cb -0.06 -1.52 -0.22 0.00 0.00 0.00 0.00 23.12 21.32 2wkk s ALA 127 CO 0.00 -0.19 1.13 0.93 0.00 0.00 0.00 175.76 177.64 2wkk h GLU 128 N 3.42 0.02 -1.93 0.00 5.08 -1.95 -3.41 114.58 115.81 2wkk h GLU 128 Ca -0.25 -0.03 -0.46 0.00 -1.00 0.00 0.00 59.36 57.62 2wkk h GLU 128 Cb 1.18 0.01 -0.31 0.00 0.50 0.00 0.00 28.75 30.13 2wkk h GLU 128 CO 0.17 0.91 -0.84 -1.71 -1.00 0.00 0.00 179.01 176.54 2wkk n ASN 129 N -3.30 -1.36 -4.76 1.42 5.15 -1.26 -5.06 115.26 106.09 2wkk n ASN 129 Ca -0.04 -2.55 -0.39 0.00 -0.60 0.00 0.00 54.58 50.99 2wkk n ASN 129 Cb 0.97 0.14 0.02 0.00 -0.53 0.00 0.00 39.78 40.38 2wkk n ASN 129 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2wkk s SER 130 N 0.23 5.82 0.55 1.20 0.15 -1.26 -0.29 113.70 120.09 2wkk s SER 130 Ca 0.32 2.84 0.32 0.00 0.70 0.00 0.00 55.95 60.13 2wkk s SER 130 Cb 0.04 -2.65 1.52 0.00 -1.71 0.00 0.00 66.02 63.22 2wkk s SER 130 CO -0.15 -1.21 2.06 -0.07 1.20 0.00 0.00 173.24 175.07 2wkk h LEU 131 N 2.19 0.00 -9.93 3.45 3.38 -1.79 -3.43 115.31 109.18 2wkk h LEU 131 Ca -0.51 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.80 2wkk h LEU 131 Cb 1.27 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.89 2wkk h LEU 131 CO 0.60 0.07 -0.53 -0.36 0.09 0.00 0.00 178.44 178.31 2wkk s PHE 132 N -3.92 2.08 0.79 1.13 2.99 -1.26 -0.08 117.98 119.71 2wkk s PHE 132 Ca -0.01 -0.85 -0.11 0.00 0.00 0.00 0.00 56.93 55.95 2wkk s PHE 132 Cb 0.11 -1.68 0.07 0.00 0.00 0.00 0.00 43.02 41.52 2wkk s PHE 132 CO 0.55 0.28 1.09 -1.54 -0.00 0.00 0.00 175.22 175.59 2wkk s SER 133 N -3.84 4.42 -0.17 1.36 1.04 -1.26 -4.89 113.70 110.37 2wkk s SER 133 Ca 0.16 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2wkk s SER 133 Cb 0.04 -2.38 0.04 0.00 0.10 0.00 0.00 66.02 63.81 2wkk s SER 133 CO 0.09 -2.06 -0.09 -0.55 0.98 0.00 0.00 173.24 171.60 2wkk s SER 134 N -3.53 2.90 0.91 7.02 0.15 -1.26 -3.61 113.70 116.28 2wkk s SER 134 Ca 0.61 -0.65 -0.15 0.00 0.70 0.00 0.00 55.95 56.46 2wkk s SER 134 Cb -0.16 -1.07 0.16 0.00 -1.71 0.00 0.00 66.02 63.23 2wkk s SER 134 CO 0.56 -0.13 1.27 -2.16 1.20 0.00 0.00 173.24 173.98 2wkk s PRO 135 N 1.53 1.09 0.15 5.44 0.04 -1.26 -4.94 135.00 137.05 2wkk s PRO 135 Ca 0.02 -0.22 -0.02 0.00 0.04 0.00 0.00 61.00 60.81 2wkk s PRO 135 Cb -0.15 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2wkk s PRO 135 CO -0.09 -2.14 0.35 0.14 0.04 0.00 0.00 177.00 175.30 2wkk s VAL 136 N -3.78 5.22 -0.03 -0.36 -7.23 -0.08 -4.72 120.40 109.42 2wkk s VAL 136 Ca 0.70 -0.18 -0.27 0.00 -1.81 0.00 0.00 61.98 60.41 2wkk s VAL 136 Cb -0.06 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 2wkk s VAL 136 CO 0.52 -0.01 0.87 -0.89 -0.31 0.00 0.00 175.10 175.27 2wkk s THR 137 N -1.70 4.93 -0.14 5.32 2.01 -0.05 -1.80 115.64 124.21 2wkk s THR 137 Ca 0.39 1.81 -0.00 0.00 0.31 0.00 0.00 61.69 64.20 2wkk s THR 137 Cb -0.12 -4.21 0.03 0.00 0.01 0.00 0.00 72.50 68.21 2wkk s THR 137 CO 0.27 0.19 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 2wkk s VAL 138 N 0.99 1.20 -0.23 3.82 1.01 -0.36 -0.35 120.40 126.49 2wkk s VAL 138 Ca 0.46 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 2wkk s VAL 138 Cb -0.20 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2wkk s VAL 138 CO 0.24 0.32 0.07 -1.81 0.00 0.00 0.00 175.10 173.92 2wkk s ASP 139 N 1.63 5.34 -0.14 3.32 1.11 -0.51 -0.42 116.67 126.99 2wkk s ASP 139 Ca 0.04 -0.10 -0.01 0.00 0.18 0.00 0.00 52.55 52.66 2wkk s ASP 139 Cb -0.13 -1.95 -0.01 0.00 1.07 0.00 0.00 42.92 41.90 2wkk s ASP 139 CO -0.09 0.03 -0.12 -0.69 1.18 0.00 0.00 175.17 175.49 2wkk s VAL 140 N 1.21 3.08 0.08 -1.27 1.01 0.09 -0.60 120.40 124.00 2wkk s VAL 140 Ca 0.05 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2wkk s VAL 140 Cb -0.14 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2wkk s VAL 140 CO 0.04 0.51 -0.17 -1.00 0.00 0.00 0.00 175.10 174.48 2wkk s HIS 141 N 0.48 2.58 -0.56 5.22 3.76 0.48 -0.82 115.29 126.44 2wkk s HIS 141 Ca -0.09 -0.24 0.24 0.00 -0.15 0.00 0.00 55.06 54.83 2wkk s HIS 141 Cb -0.16 -1.42 0.52 0.00 1.11 0.00 0.00 32.58 32.64 2wkk s HIS 141 CO 0.04 0.33 1.66 0.78 -0.85 0.00 0.00 174.74 176.70 2wkk h GLY 142 N 4.11 0.00 -3.11 -2.22 0.00 -1.87 -1.02 103.07 98.97 2wkk h GLY 142 Ca -0.49 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 2wkk h GLY 142 CO 0.48 0.00 0.09 0.48 0.00 0.00 0.00 176.54 177.59 2wkk s LEU 143 N -5.50 -0.18 0.15 3.11 2.34 -1.24 -3.66 118.68 113.70 2wkk s LEU 143 Ca 0.08 -0.08 -0.33 0.00 0.06 0.00 0.00 54.13 53.87 2wkk s LEU 143 Cb 0.08 2.28 -0.12 0.00 -0.56 0.00 0.00 46.19 47.87 2wkk s LEU 143 CO 0.64 -0.90 1.72 -0.11 -1.06 0.00 0.00 176.35 176.65 2wkk n LEU 144 N -0.22 3.67 -4.82 1.48 7.94 -1.25 -4.84 117.00 118.96 2wkk n LEU 144 Ca -0.17 1.04 -0.30 0.00 -1.11 0.00 0.00 56.01 55.47 2wkk n LEU 144 Cb 0.64 -1.50 0.07 0.00 0.53 0.00 0.00 43.42 43.16 2wkk n LEU 144 CO 0.15 0.01 0.72 -2.16 -1.11 0.00 0.00 177.39 175.00 2wkk s PRO 145 N 1.72 2.42 0.31 1.96 0.04 -1.26 -4.99 135.00 135.20 2wkk s PRO 145 Ca 0.79 0.67 -0.28 0.00 0.04 0.00 0.00 61.00 62.23 2wkk s PRO 145 Cb -0.57 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 31.88 2wkk s PRO 145 CO 0.37 -1.39 1.17 -2.30 0.04 0.00 0.00 177.00 174.88 2wkk n PRO 146 N -3.28 1.74 -3.86 0.56 -0.02 -1.26 -4.96 135.00 123.92 2wkk n PRO 146 Ca 0.07 0.61 -0.36 0.00 -2.02 0.00 0.00 63.50 61.80 2wkk n PRO 146 Cb 0.56 -2.10 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 2wkk n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wkk s LEU 147 N -0.22 4.29 0.79 2.45 1.43 -1.26 -5.09 118.68 121.06 2wkk s LEU 147 Ca 0.58 0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 2wkk s LEU 147 Cb -0.64 -2.06 0.07 0.00 0.03 0.00 0.00 46.19 43.58 2wkk s LEU 147 CO 0.60 0.34 1.13 -2.16 0.23 0.00 0.00 176.35 176.49 2wkk s PRO 148 N -0.59 1.97 0.64 1.29 0.04 -1.26 -4.91 135.00 132.18 2wkk s PRO 148 Ca 0.13 1.43 0.42 0.00 0.04 0.00 0.00 61.00 63.01 2wkk s PRO 148 Cb -0.12 -1.85 2.20 0.00 0.04 0.00 0.00 34.50 34.78 2wkk s PRO 148 CO 0.02 -1.90 2.29 -1.35 0.04 0.00 0.00 177.00 176.11 2wkk h PRO 149 N -0.99 0.00 0.00 0.56 0.11 -2.06 -3.56 132.00 126.07 2wkk h PRO 149 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wkk h PRO 149 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2wkk h PRO 149 CO 0.49 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.28