#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lk2 s GLN 2 N 0.00 2.49 -0.10 0.38 0.74 -1.26 -4.38 119.66 117.54 1lk2 s GLN 2 Ca 0.00 -1.20 0.02 0.00 0.05 0.00 0.00 55.36 54.23 1lk2 s GLN 2 Cb 0.00 -2.97 0.01 0.00 1.10 0.00 0.00 33.01 31.15 1lk2 s GLN 2 CO 0.00 -0.51 -0.15 0.15 -0.55 0.00 0.00 175.29 174.22 1lk2 s LYS 3 N 1.21 2.14 0.17 1.67 1.02 0.23 -4.94 119.74 121.24 1lk2 s LYS 3 Ca -0.05 -0.54 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 1lk2 s LYS 3 Cb -0.19 -1.79 -0.07 0.00 -0.52 0.00 0.00 37.83 35.26 1lk2 s LYS 3 CO -0.04 -0.02 0.97 0.99 -0.92 0.00 0.00 175.35 176.33 1lk2 s THR 4 N 0.85 4.25 0.39 2.17 2.01 -1.26 -1.95 115.64 122.11 1lk2 s THR 4 Ca -0.10 2.02 -0.26 0.00 0.31 0.00 0.00 61.69 63.66 1lk2 s THR 4 Cb -0.15 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 67.98 1lk2 s THR 4 CO 0.01 0.38 1.27 -2.16 -0.69 0.00 0.00 174.62 173.43 1lk2 s PRO 5 N -0.50 4.06 -0.07 4.92 0.04 -1.26 -4.59 135.00 137.60 1lk2 s PRO 5 Ca 0.45 2.10 -0.18 0.00 0.04 0.00 0.00 61.00 63.41 1lk2 s PRO 5 Cb -0.25 -2.80 -0.05 0.00 0.04 0.00 0.00 34.50 31.44 1lk2 s PRO 5 CO 0.31 -0.40 0.48 -0.65 0.04 0.00 0.00 177.00 176.79 1lk2 s GLN 6 N -2.16 4.25 -0.17 4.56 -1.52 0.06 -4.90 119.66 119.78 1lk2 s GLN 6 Ca 0.55 0.49 0.01 0.00 -1.95 0.00 0.00 55.36 54.46 1lk2 s GLN 6 Cb -0.37 -3.37 0.02 0.00 -0.22 0.00 0.00 33.01 29.07 1lk2 s GLN 6 CO 0.48 0.32 -0.17 0.42 -0.25 0.00 0.00 175.29 176.08 1lk2 s ILE 7 N 0.09 1.82 -0.10 1.08 1.01 -1.26 -0.81 121.20 123.02 1lk2 s ILE 7 Ca 0.26 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1lk2 s ILE 7 Cb -0.16 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.64 1lk2 s ILE 7 CO 0.12 0.50 -0.19 -1.10 0.00 0.00 0.00 174.94 174.27 1lk2 s GLN 8 N 1.39 2.57 -0.11 2.79 -0.21 -0.41 -4.98 119.66 120.69 1lk2 s GLN 8 Ca 0.05 -0.70 0.03 0.00 0.02 0.00 0.00 55.36 54.76 1lk2 s GLN 8 Cb -0.13 -2.05 0.01 0.00 1.00 0.00 0.00 33.01 31.84 1lk2 s GLN 8 CO -0.12 0.05 -0.22 0.08 -2.12 0.00 0.00 175.29 172.96 1lk2 s VAL 9 N 0.67 1.96 -0.01 1.09 1.01 -1.26 -0.44 120.40 123.41 1lk2 s VAL 9 Ca -0.12 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 1lk2 s VAL 9 Cb -0.16 -1.72 0.08 0.00 0.00 0.00 0.00 36.38 34.58 1lk2 s VAL 9 CO 0.03 0.53 0.73 -0.72 0.00 0.00 0.00 175.10 175.67 1lk2 s TYR 10 N 0.60 -0.55 0.27 5.22 1.13 -0.59 -4.62 117.35 118.81 1lk2 s TYR 10 Ca -0.13 0.77 -0.01 0.00 -1.41 0.00 0.00 57.07 56.29 1lk2 s TYR 10 Cb -0.17 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.12 1lk2 s TYR 10 CO 0.03 -0.62 0.48 -1.54 -2.51 0.00 0.00 175.55 171.39 1lk2 s SER 11 N -1.68 6.36 0.08 -0.18 1.04 -1.26 -0.51 113.70 117.54 1lk2 s SER 11 Ca -0.05 0.46 -0.19 0.00 0.48 0.00 0.00 55.95 56.65 1lk2 s SER 11 Cb -0.00 -2.04 -0.10 0.00 0.10 0.00 0.00 66.02 63.98 1lk2 s SER 11 CO 0.01 -0.17 1.51 -0.09 0.98 0.00 0.00 173.24 175.48 1lk2 h ARG 12 N 1.44 0.39 -6.38 4.02 9.65 -1.39 -3.45 114.38 118.65 1lk2 h ARG 12 Ca -0.49 -0.12 -0.61 0.00 -1.10 0.00 0.00 59.98 57.65 1lk2 h ARG 12 Cb 1.20 -0.03 -0.12 0.00 -1.39 0.00 0.00 29.97 29.62 1lk2 h ARG 12 CO 0.65 0.58 -0.69 -1.01 2.80 0.00 0.00 179.97 182.30 1lk2 s HIS 13 N -4.97 2.76 0.21 2.20 3.76 -1.26 -5.03 115.29 112.95 1lk2 s HIS 13 Ca -0.14 -0.17 -0.32 0.00 -0.15 0.00 0.00 55.06 54.28 1lk2 s HIS 13 Cb 0.07 -1.35 -0.14 0.00 1.11 0.00 0.00 32.58 32.28 1lk2 s HIS 13 CO 0.74 0.51 1.46 -2.30 -0.85 0.00 0.00 174.74 174.30 1lk2 n PRO 14 N -0.02 2.02 -2.34 8.40 -0.02 -1.26 -4.85 135.00 136.92 1lk2 n PRO 14 Ca -0.10 0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 1lk2 n PRO 14 Cb 0.55 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1lk2 n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1lk2 s PRO 15 N 0.07 4.51 -0.06 0.52 0.04 -1.26 -5.02 135.00 133.80 1lk2 s PRO 15 Ca 0.72 1.94 -0.00 0.00 0.04 0.00 0.00 61.00 63.70 1lk2 s PRO 15 Cb -0.68 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 30.71 1lk2 s PRO 15 CO 0.46 -0.00 -0.02 -2.00 0.04 0.00 0.00 177.00 175.48 1lk2 s GLU 16 N -1.05 0.71 0.17 4.56 2.12 -1.26 -5.11 118.70 118.85 1lk2 s GLU 16 Ca 0.49 0.02 -0.33 0.00 0.36 0.00 0.00 54.97 55.50 1lk2 s GLU 16 Cb -0.34 -0.94 -0.13 0.00 0.26 0.00 0.00 34.13 32.97 1lk2 s GLU 16 CO 0.42 -0.22 1.61 0.09 -0.54 0.00 0.00 175.26 176.62 1lk2 n ASN 17 N 4.74 3.31 0.00 -1.70 3.02 -1.26 -1.51 115.26 121.86 1lk2 n ASN 17 Ca -0.14 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.49 1lk2 n ASN 17 Cb 0.50 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 1lk2 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lk2 n GLY 18 N 3.52 1.11 3.51 7.41 0.00 0.04 -5.00 105.19 115.79 1lk2 n GLY 18 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1lk2 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lk2 s LYS 19 N -0.31 3.77 0.53 1.61 2.20 -0.57 -4.98 119.74 121.99 1lk2 s LYS 19 Ca 0.00 -0.43 -0.21 0.00 -0.36 0.00 0.00 55.97 54.97 1lk2 s LYS 19 Cb 0.00 -3.28 -0.07 0.00 -1.51 0.00 0.00 37.83 32.97 1lk2 s LYS 19 CO 0.00 -0.02 0.98 -2.30 -0.36 0.00 0.00 175.35 173.65 1lk2 n PRO 20 N 4.42 1.11 -2.68 4.03 -0.02 -1.26 -4.27 135.00 136.33 1lk2 n PRO 20 Ca -0.16 0.41 -0.06 0.00 -2.02 0.00 0.00 63.50 61.67 1lk2 n PRO 20 Cb 0.52 -2.12 0.01 0.00 -0.02 0.00 0.00 33.50 31.89 1lk2 n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1lk2 n ASN 21 N -0.20 -1.21 -4.04 2.55 2.85 0.73 -4.98 115.26 110.95 1lk2 n ASN 21 Ca 0.12 -1.96 -0.24 0.00 -0.11 0.00 0.00 54.58 52.39 1lk2 n ASN 21 Cb 0.44 2.05 -0.16 0.00 1.24 0.00 0.00 39.78 43.35 1lk2 n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1lk2 s ILE 22 N -2.52 1.10 -0.12 -1.44 1.01 -1.26 -1.41 121.20 116.56 1lk2 s ILE 22 Ca 0.11 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 1lk2 s ILE 22 Cb -0.02 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1lk2 s ILE 22 CO 0.08 0.34 -0.02 -0.22 0.00 0.00 0.00 174.94 175.12 1lk2 s LEU 23 N 0.41 3.40 0.03 2.97 2.96 0.07 -0.87 118.68 127.66 1lk2 s LEU 23 Ca -0.09 0.01 0.09 0.00 -0.22 0.00 0.00 54.13 53.92 1lk2 s LEU 23 Cb -0.13 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1lk2 s LEU 23 CO 0.02 0.28 -0.26 0.20 -1.32 0.00 0.00 176.35 175.28 1lk2 s ASN 24 N -0.31 3.07 -0.21 3.68 0.01 0.33 -1.35 114.94 120.15 1lk2 s ASN 24 Ca 0.06 -0.56 -0.01 0.00 -0.71 0.00 0.00 52.86 51.64 1lk2 s ASN 24 Cb -0.12 -0.29 0.06 0.00 0.41 0.00 0.00 41.25 41.31 1lk2 s ASN 24 CO 0.02 0.26 -0.02 0.00 -1.51 0.00 0.00 177.10 175.86 1lk2 s TYR 26 N 1.61 3.14 -0.23 0.00 5.04 0.41 -0.82 117.35 126.50 1lk2 s TYR 26 Ca -0.03 -0.20 -0.03 0.00 -2.44 0.00 0.00 57.07 54.37 1lk2 s TYR 26 Cb -0.18 -2.27 0.01 0.00 0.35 0.00 0.00 41.96 39.87 1lk2 s TYR 26 CO -0.07 -0.24 -0.06 0.08 -1.34 0.00 0.00 175.55 173.92 1lk2 s VAL 27 N 1.53 3.09 0.18 3.14 1.01 -0.25 -1.29 120.40 127.82 1lk2 s VAL 27 Ca 0.06 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1lk2 s VAL 27 Cb -0.15 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1lk2 s VAL 27 CO 0.06 0.33 0.04 0.42 0.00 0.00 0.00 175.10 175.95 1lk2 s THR 28 N 1.41 0.47 -1.37 3.92 -4.23 0.01 -1.21 115.64 114.63 1lk2 s THR 28 Ca 0.04 -1.97 -0.06 0.00 -1.18 0.00 0.00 61.69 58.51 1lk2 s THR 28 Cb -0.15 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.46 1lk2 s THR 28 CO -0.04 -0.34 0.86 0.00 -0.54 0.00 0.00 174.62 174.55 1lk2 n GLN 29 N -0.25 -6.13 -4.35 3.99 6.02 -0.07 -0.76 117.38 115.82 1lk2 n GLN 29 Ca -0.04 0.82 -0.26 0.00 -0.01 0.00 0.00 57.00 57.50 1lk2 n GLN 29 Cb 0.64 -5.65 -0.10 0.00 1.02 0.00 0.00 30.24 26.15 1lk2 n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1lk2 s PHE 30 N -3.23 2.50 -0.28 1.08 -0.71 -1.04 -4.39 117.98 111.92 1lk2 s PHE 30 Ca 0.42 -0.28 -0.22 0.00 -1.04 0.00 0.00 56.93 55.82 1lk2 s PHE 30 Cb -0.19 -1.20 0.09 0.00 -1.21 0.00 0.00 43.02 40.51 1lk2 s PHE 30 CO 0.53 0.54 0.83 -1.58 -1.34 0.00 0.00 175.22 174.19 1lk2 s HIS 31 N -1.83 -0.73 1.01 3.49 2.46 -0.82 -0.69 115.29 118.17 1lk2 s HIS 31 Ca 0.25 1.67 -0.14 0.00 0.47 0.00 0.00 55.06 57.30 1lk2 s HIS 31 Cb -0.08 0.38 0.19 0.00 -0.13 0.00 0.00 32.58 32.94 1lk2 s HIS 31 CO 0.14 -0.36 1.14 -1.25 -2.47 0.00 0.00 174.74 171.94 1lk2 s PRO 32 N 0.69 0.32 0.46 2.88 0.04 -1.26 -0.60 135.00 137.53 1lk2 s PRO 32 Ca -0.02 0.17 0.26 0.00 0.04 0.00 0.00 61.00 61.45 1lk2 s PRO 32 Cb -0.05 -1.75 0.97 0.00 0.04 0.00 0.00 34.50 33.71 1lk2 s PRO 32 CO -0.07 -2.73 1.84 -1.00 0.04 0.00 0.00 177.00 175.08 1lk2 h PRO 33 N -1.88 0.00 -6.63 0.56 0.13 -1.99 -3.45 132.00 118.74 1lk2 h PRO 33 Ca -0.50 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.11 1lk2 h PRO 33 Cb 1.31 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.50 1lk2 h PRO 33 CO 0.52 0.16 1.01 -1.58 -0.23 0.00 0.00 178.00 177.88 1lk2 s HIS 34 N -3.61 2.82 0.03 1.56 2.46 -1.26 -4.96 115.29 112.33 1lk2 s HIS 34 Ca 0.01 0.33 -0.28 0.00 0.47 0.00 0.00 55.06 55.60 1lk2 s HIS 34 Cb 0.09 -4.11 0.07 0.00 -0.13 0.00 0.00 32.58 28.50 1lk2 s HIS 34 CO 0.62 -4.26 0.64 -1.50 -2.47 0.00 0.00 174.74 167.77 1lk2 s ILE 35 N 1.40 0.00 -0.08 0.89 2.07 -1.26 -4.59 121.20 119.63 1lk2 s ILE 35 Ca 0.75 -0.02 0.03 0.00 -1.41 0.00 0.00 60.65 60.00 1lk2 s ILE 35 Cb -0.48 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.12 1lk2 s ILE 35 CO 0.32 -0.01 -0.18 -0.70 -1.91 0.00 0.00 174.94 172.46 1lk2 s GLU 36 N -2.13 2.33 -0.07 3.50 2.12 -0.59 -4.99 118.70 118.88 1lk2 s GLU 36 Ca -0.07 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1lk2 s GLU 36 Cb -0.00 -1.84 0.02 0.00 0.26 0.00 0.00 34.13 32.57 1lk2 s GLU 36 CO 0.02 0.12 -0.06 0.42 -0.54 0.00 0.00 175.26 175.22 1lk2 s ILE 37 N 0.45 0.71 -0.01 -3.70 1.01 -1.26 -0.86 121.20 117.53 1lk2 s ILE 37 Ca -0.15 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.38 1lk2 s ILE 37 Cb -0.16 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 1lk2 s ILE 37 CO 0.06 0.29 -0.16 -1.10 0.00 0.00 0.00 174.94 174.03 1lk2 s GLN 38 N 1.26 1.27 -0.13 2.79 -0.21 -0.13 -4.99 119.66 119.52 1lk2 s GLN 38 Ca -0.05 -0.57 -0.05 0.00 0.02 0.00 0.00 55.36 54.71 1lk2 s GLN 38 Cb -0.14 -1.23 -0.04 0.00 1.00 0.00 0.00 33.01 32.60 1lk2 s GLN 38 CO -0.02 0.34 0.05 -1.64 -2.12 0.00 0.00 175.29 171.90 1lk2 s MET 39 N -0.39 3.43 -0.05 2.91 -1.94 -1.26 -0.56 119.30 121.45 1lk2 s MET 39 Ca 0.06 -0.32 0.05 0.00 -1.71 0.00 0.00 55.69 53.76 1lk2 s MET 39 Cb -0.06 -3.03 -0.00 0.00 2.01 0.00 0.00 34.83 33.75 1lk2 s MET 39 CO -0.01 0.57 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.88 1lk2 s LEU 40 N -0.48 1.94 -0.23 -0.03 1.43 0.28 -0.86 118.68 120.74 1lk2 s LEU 40 Ca 0.10 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 1lk2 s LEU 40 Cb -0.12 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 1lk2 s LEU 40 CO 0.02 0.17 -0.02 -0.75 0.23 0.00 0.00 176.35 176.00 1lk2 s LYS 41 N 0.01 3.39 -1.62 1.70 2.20 -0.05 -1.30 119.74 124.07 1lk2 s LYS 41 Ca -0.04 -0.62 -0.14 0.00 -0.36 0.00 0.00 55.97 54.81 1lk2 s LYS 41 Cb -0.12 -3.07 0.11 0.00 -1.51 0.00 0.00 37.83 33.25 1lk2 s LYS 41 CO 0.02 -0.21 0.71 0.09 -0.36 0.00 0.00 175.35 175.60 1lk2 n ASN 42 N 4.82 -2.70 0.00 1.43 3.02 -0.03 -1.13 115.26 120.66 1lk2 n ASN 42 Ca -0.18 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1lk2 n ASN 42 Cb 0.51 -2.90 0.00 0.00 -0.61 0.00 0.00 39.78 36.77 1lk2 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lk2 n GLY 43 N -1.58 0.78 3.62 7.41 0.00 -1.26 -5.02 105.19 109.14 1lk2 n GLY 43 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1lk2 n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lk2 s LYS 44 N -0.20 3.52 0.17 1.61 2.20 -0.29 -5.01 119.74 121.75 1lk2 s LYS 44 Ca 0.00 -0.41 -0.34 0.00 -0.36 0.00 0.00 55.97 54.86 1lk2 s LYS 44 Cb 0.00 -2.97 -0.14 0.00 -1.51 0.00 0.00 37.83 33.21 1lk2 s LYS 44 CO 0.00 0.43 1.50 1.17 -0.36 0.00 0.00 175.35 178.10 1lk2 n LYS 45 N 3.00 2.00 -2.96 4.03 4.81 -1.26 -0.87 118.16 126.90 1lk2 n LYS 45 Ca -0.18 0.72 -0.40 0.00 -0.87 0.00 0.00 58.31 57.58 1lk2 n LYS 45 Cb 0.53 -2.44 -0.04 0.00 0.02 0.00 0.00 35.03 33.09 1lk2 n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1lk2 s ILE 46 N 0.61 4.99 0.62 3.15 1.01 -0.04 -4.84 121.20 126.70 1lk2 s ILE 46 Ca 0.77 1.58 -0.13 0.00 0.00 0.00 0.00 60.65 62.86 1lk2 s ILE 46 Cb -0.70 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 37.63 1lk2 s ILE 46 CO 0.42 0.19 1.04 -2.16 0.00 0.00 0.00 174.94 174.43 1lk2 s PRO 47 N 1.11 3.32 -1.48 2.79 0.04 -1.26 -4.23 135.00 135.29 1lk2 s PRO 47 Ca 0.40 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1lk2 s PRO 47 Cb -0.18 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1lk2 s PRO 47 CO 0.19 -0.80 0.00 1.63 0.04 0.00 0.00 177.00 178.06 1lk2 n LYS 48 N -2.44 -1.22 -2.14 4.56 4.76 -1.26 -4.96 118.16 115.46 1lk2 n LYS 48 Ca 0.08 0.87 -0.41 0.00 -2.87 0.00 0.00 58.31 55.98 1lk2 n LYS 48 Cb 0.53 -5.19 -0.03 0.00 -1.84 0.00 0.00 35.03 28.51 1lk2 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1lk2 s VAL 49 N -2.73 2.94 -0.12 -0.18 1.01 -1.26 -4.94 120.40 115.13 1lk2 s VAL 49 Ca 0.00 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 62.65 1lk2 s VAL 49 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1lk2 s VAL 49 CO 0.00 0.15 0.36 -1.61 0.00 0.00 0.00 175.10 173.99 1lk2 s GLU 50 N -0.64 4.18 -0.18 2.72 2.02 -0.39 -4.92 118.70 121.49 1lk2 s GLU 50 Ca 0.55 0.24 -0.09 0.00 0.02 0.00 0.00 54.97 55.69 1lk2 s GLU 50 Cb -0.39 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 1lk2 s GLU 50 CO 0.43 0.33 0.14 -1.64 0.02 0.00 0.00 175.26 174.54 1lk2 s MET 51 N 0.16 3.99 0.34 1.61 -1.94 -1.26 -0.89 119.30 121.30 1lk2 s MET 51 Ca 0.20 -0.18 -0.13 0.00 -1.71 0.00 0.00 55.69 53.87 1lk2 s MET 51 Cb -0.14 -3.36 0.03 0.00 2.01 0.00 0.00 34.83 33.37 1lk2 s MET 51 CO 0.07 0.43 0.65 -1.54 -0.01 0.00 0.00 175.02 174.62 1lk2 s SER 52 N -0.01 0.18 -1.44 3.03 1.04 0.31 -4.98 113.70 111.83 1lk2 s SER 52 Ca 0.10 -1.12 -0.10 0.00 0.48 0.00 0.00 55.95 55.31 1lk2 s SER 52 Cb -0.11 0.75 0.04 0.00 0.10 0.00 0.00 66.02 66.79 1lk2 s SER 52 CO -0.00 -1.46 1.05 0.47 0.98 0.00 0.00 173.24 174.28 1lk2 n ASP 53 N -1.11 -5.78 -4.73 7.02 8.00 -1.26 -0.82 116.55 117.87 1lk2 n ASP 53 Ca -0.04 -0.60 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 1lk2 n ASP 53 Cb 0.60 -4.58 -0.03 0.00 -0.02 0.00 0.00 41.12 37.09 1lk2 n ASP 53 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1lk2 s MET 54 N -6.37 4.45 0.39 -1.24 -2.45 -1.26 -4.17 119.30 108.65 1lk2 s MET 54 Ca 0.59 1.87 -0.13 0.00 -1.25 0.00 0.00 55.69 56.77 1lk2 s MET 54 Cb -0.27 -3.27 0.05 0.00 1.25 0.00 0.00 34.83 32.58 1lk2 s MET 54 CO 0.73 -0.19 0.74 -1.54 1.05 0.00 0.00 175.02 175.81 1lk2 s SER 55 N 0.56 0.19 0.07 1.11 1.04 -0.47 -5.00 113.70 111.20 1lk2 s SER 55 Ca 0.56 -1.25 0.02 0.00 0.48 0.00 0.00 55.95 55.77 1lk2 s SER 55 Cb -0.32 0.83 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 1lk2 s SER 55 CO 0.33 -1.65 -0.07 0.72 0.98 0.00 0.00 173.24 173.55 1lk2 s PHE 56 N -2.31 0.77 0.60 5.02 -0.71 -1.26 -1.26 117.98 118.83 1lk2 s PHE 56 Ca 0.18 -0.71 -0.03 0.00 -1.04 0.00 0.00 56.93 55.34 1lk2 s PHE 56 Cb -0.04 -0.46 0.12 0.00 -1.21 0.00 0.00 43.02 41.44 1lk2 s PHE 56 CO 0.13 -0.12 0.82 -1.13 -1.34 0.00 0.00 175.22 173.58 1lk2 n SER 57 N 0.73 0.85 0.28 1.98 3.41 -0.41 -4.90 113.62 115.56 1lk2 n SER 57 Ca -0.18 -1.78 0.15 0.00 -0.26 0.00 0.00 58.87 56.80 1lk2 n SER 57 Cb 0.58 -0.56 0.84 0.00 -0.26 0.00 0.00 64.21 64.81 1lk2 n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1lk2 h LYS 58 N 0.00 0.00 -0.43 4.33 1.57 -2.02 -0.17 116.57 119.85 1lk2 h LYS 58 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1lk2 h LYS 58 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1lk2 h LYS 58 CO 0.27 0.06 0.00 -0.40 -0.57 0.00 0.00 179.45 178.80 1lk2 n ASP 59 N -3.68 2.43 0.00 0.86 5.75 -1.26 -4.92 116.55 115.73 1lk2 n ASP 59 Ca -0.02 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1lk2 n ASP 59 Cb 0.16 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1lk2 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1lk2 n TRP 60 N 0.83 0.00 -2.25 2.11 7.02 -0.08 -5.02 117.44 120.04 1lk2 n TRP 60 Ca 0.16 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.29 1lk2 n TRP 60 Cb 0.39 -0.24 -0.00 0.00 -2.42 0.00 0.00 31.31 29.04 1lk2 n TRP 60 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1lk2 s SER 61 N -2.54 5.82 0.27 -0.99 0.01 -1.26 -4.67 113.70 110.34 1lk2 s SER 61 Ca 0.00 2.06 -0.09 0.00 1.31 0.00 0.00 55.95 59.23 1lk2 s SER 61 Cb 0.00 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1lk2 s SER 61 CO 0.00 -1.15 0.59 -0.36 0.41 0.00 0.00 173.24 172.73 1lk2 s PHE 62 N -1.96 3.44 -0.00 2.43 0.40 0.13 -1.28 117.98 121.14 1lk2 s PHE 62 Ca 0.70 0.86 0.01 0.00 -0.60 0.00 0.00 56.93 57.89 1lk2 s PHE 62 Cb -0.21 -2.26 -0.00 0.00 0.51 0.00 0.00 43.02 41.06 1lk2 s PHE 62 CO 0.28 0.19 -0.04 0.71 0.70 0.00 0.00 175.22 177.06 1lk2 s TYR 63 N -1.95 0.33 -0.08 0.36 1.51 -0.39 -0.90 117.35 116.23 1lk2 s TYR 63 Ca 0.47 -0.07 -0.27 0.00 -1.01 0.00 0.00 57.07 56.19 1lk2 s TYR 63 Cb -0.11 -0.21 0.06 0.00 -0.11 0.00 0.00 41.96 41.59 1lk2 s TYR 63 CO 0.24 -0.01 0.62 -1.50 -1.11 0.00 0.00 175.55 173.79 1lk2 s ILE 64 N -0.13 0.01 -0.14 2.71 2.07 -0.35 -1.36 121.20 124.02 1lk2 s ILE 64 Ca 0.01 -0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.15 1lk2 s ILE 64 Cb -0.02 -0.92 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 1lk2 s ILE 64 CO -0.00 -0.04 -0.06 -0.22 -1.91 0.00 0.00 174.94 172.71 1lk2 s LEU 65 N -0.90 3.13 -0.13 8.50 2.96 0.00 -1.09 118.68 131.15 1lk2 s LEU 65 Ca -0.09 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1lk2 s LEU 65 Cb -0.02 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1lk2 s LEU 65 CO 0.07 0.20 0.03 0.00 -1.32 0.00 0.00 176.35 175.33 1lk2 s ALA 66 N 0.20 3.34 0.04 5.97 0.00 -0.00 -0.53 121.76 130.79 1lk2 s ALA 66 Ca -0.03 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 1lk2 s ALA 66 Cb -0.14 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.30 1lk2 s ALA 66 CO 0.03 0.40 0.23 -3.38 0.00 0.00 0.00 175.76 173.04 1lk2 s HIS 67 N -0.29 0.02 -0.00 0.00 -3.43 -0.07 -0.53 115.29 110.99 1lk2 s HIS 67 Ca 0.07 -0.23 -0.21 0.00 -0.80 0.00 0.00 55.06 53.89 1lk2 s HIS 67 Cb -0.12 0.00 0.04 0.00 -1.43 0.00 0.00 32.58 31.08 1lk2 s HIS 67 CO 0.02 -0.46 0.47 -0.08 -2.00 0.00 0.00 174.74 172.69 1lk2 s THR 68 N -2.66 0.04 0.45 -5.38 -1.32 -0.46 -1.27 115.64 105.03 1lk2 s THR 68 Ca -0.04 -0.30 -0.23 0.00 -1.21 0.00 0.00 61.69 59.91 1lk2 s THR 68 Cb -0.01 -0.86 -0.08 0.00 -1.51 0.00 0.00 72.50 70.05 1lk2 s THR 68 CO -0.04 -0.17 1.11 -1.61 -2.21 0.00 0.00 174.62 171.70 1lk2 s GLU 69 N -1.75 3.88 0.10 7.08 2.02 -1.26 -0.75 118.70 128.02 1lk2 s GLU 69 Ca -0.10 1.63 -0.21 0.00 0.02 0.00 0.00 54.97 56.31 1lk2 s GLU 69 Cb -0.02 -2.40 0.05 0.00 0.10 0.00 0.00 34.13 31.87 1lk2 s GLU 69 CO 0.03 -0.41 0.53 -0.59 0.02 0.00 0.00 175.26 174.84 1lk2 s PHE 70 N -1.64 -0.42 -0.31 1.61 -0.71 -0.50 -4.84 117.98 111.17 1lk2 s PHE 70 Ca 0.62 0.31 0.02 0.00 -1.04 0.00 0.00 56.93 56.85 1lk2 s PHE 70 Cb -0.25 0.40 0.09 0.00 -1.21 0.00 0.00 43.02 42.05 1lk2 s PHE 70 CO 0.30 -0.73 0.03 0.99 -1.34 0.00 0.00 175.22 174.47 1lk2 s THR 71 N -3.17 1.86 0.62 -4.49 2.01 -1.26 -0.19 115.64 111.01 1lk2 s THR 71 Ca -0.01 -1.91 -0.18 0.00 0.31 0.00 0.00 61.69 59.90 1lk2 s THR 71 Cb -0.00 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 1lk2 s THR 71 CO -0.08 -0.48 1.21 -2.16 -0.69 0.00 0.00 174.62 172.42 1lk2 s PRO 72 N 1.15 2.82 0.40 4.92 0.04 -1.26 -4.75 135.00 138.31 1lk2 s PRO 72 Ca 0.06 1.81 0.03 0.00 0.04 0.00 0.00 61.00 62.94 1lk2 s PRO 72 Cb -0.19 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1lk2 s PRO 72 CO -0.11 -1.32 0.08 0.95 0.04 0.00 0.00 177.00 176.64 1lk2 s THR 73 N -1.68 0.90 0.21 1.26 -4.23 -1.26 -0.78 115.64 110.06 1lk2 s THR 73 Ca 0.77 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.20 1lk2 s THR 73 Cb -0.30 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.24 1lk2 s THR 73 CO 0.36 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 176.14 1lk2 h GLU 74 N 1.80 1.18 -0.05 3.99 4.57 -1.97 -3.31 114.58 120.79 1lk2 h GLU 74 Ca -0.39 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.60 1lk2 h GLU 74 Cb 1.27 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1lk2 h GLU 74 CO 0.64 0.94 0.00 0.25 -1.18 0.00 0.00 179.01 179.66 1lk2 n THR 75 N -4.31 0.33 -2.36 0.32 -2.24 -1.26 -4.97 114.28 99.79 1lk2 n THR 75 Ca 0.07 -0.66 -0.41 0.00 -2.27 0.00 0.00 64.05 60.78 1lk2 n THR 75 Cb 0.17 0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 1lk2 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1lk2 s ASP 76 N -0.56 7.09 0.13 3.42 1.01 -1.25 -5.03 116.67 121.48 1lk2 s ASP 76 Ca 0.06 2.35 0.05 0.00 0.71 0.00 0.00 52.55 55.72 1lk2 s ASP 76 Cb 0.04 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1lk2 s ASP 76 CO 0.05 -0.31 0.08 0.42 0.21 0.00 0.00 175.17 175.62 1lk2 s THR 77 N -0.77 4.32 0.02 -1.27 -4.23 -1.26 -4.77 115.64 107.68 1lk2 s THR 77 Ca 0.48 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.02 1lk2 s THR 77 Cb -0.34 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.34 1lk2 s THR 77 CO 0.42 0.00 -0.10 -0.31 -0.54 0.00 0.00 174.62 174.10 1lk2 s TYR 78 N -1.56 0.88 0.16 3.99 1.51 -1.26 -0.85 117.35 120.22 1lk2 s TYR 78 Ca 0.29 -0.30 -0.13 0.00 -1.01 0.00 0.00 57.07 55.93 1lk2 s TYR 78 Cb -0.11 -0.53 0.01 0.00 -0.11 0.00 0.00 41.96 41.22 1lk2 s TYR 78 CO 0.21 -0.01 0.37 0.00 -1.11 0.00 0.00 175.55 175.01 1lk2 s ALA 79 N -0.70 -0.45 -0.12 3.71 0.00 -0.42 -0.89 121.76 122.89 1lk2 s ALA 79 Ca -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.43 1lk2 s ALA 79 Cb -0.06 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1lk2 s ALA 79 CO 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 175.76 174.92 1lk2 s ARG 81 N 1.03 3.33 -0.05 0.00 3.52 0.28 -0.61 118.95 126.45 1lk2 s ARG 81 Ca -0.05 -0.69 0.04 0.00 -0.13 0.00 0.00 55.73 54.90 1lk2 s ARG 81 Cb -0.15 -2.72 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1lk2 s ARG 81 CO -0.03 0.05 -0.16 0.08 -0.81 0.00 0.00 175.30 174.43 1lk2 s VAL 82 N 0.77 1.40 -0.14 7.11 1.01 0.12 -0.96 120.40 129.70 1lk2 s VAL 82 Ca -0.05 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1lk2 s VAL 82 Cb -0.15 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1lk2 s VAL 82 CO 0.01 0.41 -0.16 -0.54 0.00 0.00 0.00 175.10 174.82 1lk2 s LYS 83 N 0.22 3.27 -0.01 2.72 1.02 -0.04 -0.91 119.74 126.00 1lk2 s LYS 83 Ca -0.08 -0.74 -0.15 0.00 0.02 0.00 0.00 55.97 55.03 1lk2 s LYS 83 Cb -0.13 -2.58 0.02 0.00 -0.52 0.00 0.00 37.83 34.62 1lk2 s LYS 83 CO 0.03 0.13 0.30 -1.58 -0.92 0.00 0.00 175.35 173.31 1lk2 s HIS 84 N 0.54 -0.16 0.27 3.18 2.46 -1.26 -1.54 115.29 118.77 1lk2 s HIS 84 Ca -0.10 0.22 0.36 0.00 0.47 0.00 0.00 55.06 56.01 1lk2 s HIS 84 Cb -0.16 0.09 1.81 0.00 -0.13 0.00 0.00 32.58 34.20 1lk2 s HIS 84 CO 0.04 -0.40 2.09 -0.44 -2.47 0.00 0.00 174.74 173.56 1lk2 h ASP 85 N 3.78 0.00 0.90 9.88 5.19 -1.94 -1.47 116.42 132.77 1lk2 h ASP 85 Ca -0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1lk2 h ASP 85 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1lk2 h ASP 85 CO 0.41 0.00 0.00 0.77 -3.12 0.00 0.00 179.24 177.30 1lk2 h SER 86 N 0.00 0.00 -3.91 6.45 4.64 -1.90 -3.43 113.55 115.39 1lk2 h SER 86 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1lk2 h SER 86 Cb 0.17 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 61.94 1lk2 h SER 86 CO 0.00 0.00 -0.88 -0.04 -0.87 0.00 0.00 176.83 175.04 1lk2 s MET 87 N -3.33 2.49 0.29 4.77 -1.94 -0.55 -4.97 119.30 116.05 1lk2 s MET 87 Ca 0.05 -0.85 -0.02 0.00 -1.71 0.00 0.00 55.69 53.15 1lk2 s MET 87 Cb 0.10 -2.08 0.41 0.00 2.01 0.00 0.00 34.83 35.26 1lk2 s MET 87 CO 0.45 0.33 1.91 0.00 -0.01 0.00 0.00 175.02 177.69 1lk2 h ALA 88 N 6.18 1.31 -2.46 3.03 0.00 -1.85 -3.43 119.26 122.04 1lk2 h ALA 88 Ca -0.30 -0.12 -0.39 0.00 0.00 0.00 0.00 54.91 54.10 1lk2 h ALA 88 Cb 1.18 -0.29 -0.16 0.00 0.00 0.00 0.00 17.79 18.52 1lk2 h ALA 88 CO 0.47 0.55 -0.74 -1.21 0.00 0.00 0.00 179.25 178.33 1lk2 s GLU 89 N -5.65 1.13 0.57 0.00 2.02 -1.26 -5.10 118.70 110.41 1lk2 s GLU 89 Ca -0.11 -1.42 -0.21 0.00 0.02 0.00 0.00 54.97 53.26 1lk2 s GLU 89 Cb 0.17 -0.87 -0.04 0.00 0.10 0.00 0.00 34.13 33.49 1lk2 s GLU 89 CO 0.80 0.14 1.35 -2.30 0.02 0.00 0.00 175.26 175.27 1lk2 n PRO 90 N 0.01 1.55 -4.30 0.39 -0.02 -1.26 -4.87 135.00 126.49 1lk2 n PRO 90 Ca -0.11 0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 61.60 1lk2 n PRO 90 Cb 0.59 -2.57 -0.12 0.00 -0.02 0.00 0.00 33.50 31.38 1lk2 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1lk2 s LYS 91 N -3.02 3.62 -0.23 -0.52 2.20 -0.09 -4.92 119.74 116.78 1lk2 s LYS 91 Ca 0.75 -0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 55.78 1lk2 s LYS 91 Cb -0.41 -2.95 -0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1lk2 s LYS 91 CO 0.47 0.15 -0.03 0.99 -0.36 0.00 0.00 175.35 176.57 1lk2 s THR 92 N 0.61 3.43 -0.18 3.43 2.01 -1.26 -0.71 115.64 122.97 1lk2 s THR 92 Ca -0.02 -0.54 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 1lk2 s THR 92 Cb -0.14 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 1lk2 s THR 92 CO 0.02 0.37 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.53 1lk2 s VAL 93 N 1.47 3.01 0.20 3.82 1.01 0.22 -4.95 120.40 125.18 1lk2 s VAL 93 Ca 0.05 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 1lk2 s VAL 93 Cb -0.15 -2.32 -0.07 0.00 0.00 0.00 0.00 36.38 33.84 1lk2 s VAL 93 CO -0.03 0.48 0.61 -0.31 0.00 0.00 0.00 175.10 175.86 1lk2 s TYR 94 N 1.00 3.56 0.05 5.22 1.51 -1.26 -0.54 117.35 126.89 1lk2 s TYR 94 Ca -0.01 1.13 -0.30 0.00 -1.01 0.00 0.00 57.07 56.87 1lk2 s TYR 94 Cb -0.15 -2.43 -0.08 0.00 -0.11 0.00 0.00 41.96 39.19 1lk2 s TYR 94 CO -0.01 0.35 1.64 -0.46 -1.11 0.00 0.00 175.55 175.96 1lk2 s TRP 95 N -1.59 2.37 -0.55 2.71 -0.00 -0.07 -4.86 118.94 116.95 1lk2 s TRP 95 Ca 0.42 0.32 -0.09 0.00 -0.00 0.00 0.00 56.10 56.75 1lk2 s TRP 95 Cb -0.14 -3.94 0.14 0.00 -0.00 0.00 0.00 33.47 29.52 1lk2 s TRP 95 CO 0.20 -3.81 0.43 0.34 -0.00 0.00 0.00 176.95 174.11 1lk2 s ASP 96 N 2.54 5.81 0.04 5.86 -1.08 -1.26 -4.79 116.67 123.78 1lk2 s ASP 96 Ca 0.74 -2.18 0.16 0.00 -0.52 0.00 0.00 52.55 50.74 1lk2 s ASP 96 Cb -0.38 -2.02 0.67 0.00 -1.46 0.00 0.00 42.92 39.72 1lk2 s ASP 96 CO 0.32 -0.63 1.50 -2.11 0.52 0.00 0.00 175.17 174.77 1lk2 n ARG 97 N 4.55 0.03 -0.16 4.34 1.85 -1.26 -2.59 116.66 123.42 1lk2 n ARG 97 Ca -0.02 0.28 0.10 0.00 -1.00 0.00 0.00 57.85 57.21 1lk2 n ARG 97 Cb 0.41 -1.56 0.18 0.00 -1.05 0.00 0.00 32.46 30.45 1lk2 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1lk2 n ASP 98 N -1.62 3.22 0.00 2.89 8.00 -1.26 -4.87 116.55 122.91 1lk2 n ASP 98 Ca 0.03 -1.93 0.03 0.00 0.71 0.00 0.00 54.79 53.63 1lk2 n ASP 98 Cb 0.18 -0.21 0.19 0.00 -0.02 0.00 0.00 41.12 41.25 1lk2 n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61