#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkn n GLU 2 N 0.00 0.00 -2.45 2.12 2.13 -1.26 -4.99 120.64 116.19 1lkn n GLU 2 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1lkn n GLU 2 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1lkn n GLU 2 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1lkn s VAL 3 N 0.00 3.72 0.11 6.31 1.01 -1.25 -4.47 120.40 125.83 1lkn s VAL 3 Ca 0.00 0.49 -0.13 0.00 0.00 0.00 0.00 61.98 62.34 1lkn s VAL 3 Cb 0.00 -4.66 -0.06 0.00 0.00 0.00 0.00 36.38 31.66 1lkn s VAL 3 CO 0.00 -1.52 0.49 -1.59 0.00 0.00 0.00 175.10 172.48 1lkn s LYS 4 N 5.78 3.91 -0.26 2.72 0.00 -1.26 -4.83 119.74 125.80 1lkn s LYS 4 Ca 0.44 0.38 -0.06 0.00 0.00 0.00 0.00 55.97 56.73 1lkn s LYS 4 Cb -0.09 -2.98 -0.01 0.00 0.00 0.00 0.00 37.83 34.75 1lkn s LYS 4 CO 0.19 0.52 0.04 0.42 0.00 0.00 0.00 175.35 176.53 1lkn s ILE 5 N -1.41 3.88 0.00 3.79 -1.09 -1.26 -3.81 121.20 121.30 1lkn s ILE 5 Ca 0.35 -0.51 -0.17 0.00 -2.23 0.00 0.00 60.65 58.10 1lkn s ILE 5 Cb -0.15 -2.89 0.03 0.00 -1.58 0.00 0.00 42.46 37.87 1lkn s ILE 5 CO 0.18 0.24 0.36 -0.70 -1.23 0.00 0.00 174.94 173.80 1lkn s GLU 6 N 1.52 0.77 -0.43 2.79 2.12 -1.15 -5.03 118.70 119.29 1lkn s GLU 6 Ca 0.04 -0.23 -0.06 0.00 0.36 0.00 0.00 54.97 55.08 1lkn s GLU 6 Cb -0.16 0.34 0.11 0.00 0.26 0.00 0.00 34.13 34.69 1lkn s GLU 6 CO 0.01 -0.23 0.27 0.15 -0.54 0.00 0.00 175.26 174.91 1lkn s LYS 7 N -1.71 2.28 0.24 4.30 1.02 -1.26 -1.43 119.74 123.17 1lkn s LYS 7 Ca -0.10 -1.75 -0.31 0.00 0.02 0.00 0.00 55.97 53.82 1lkn s LYS 7 Cb -0.03 -3.74 -0.13 0.00 -0.52 0.00 0.00 37.83 33.40 1lkn s LYS 7 CO 0.02 -1.10 1.44 -0.35 -0.92 0.00 0.00 175.35 174.44 1lkn n PRO 8 N 4.76 2.11 -2.95 -1.68 -0.04 -1.26 -5.00 135.00 130.94 1lkn n PRO 8 Ca -0.06 0.75 -0.26 0.00 -0.04 0.00 0.00 63.50 63.89 1lkn n PRO 8 Cb 0.41 -2.43 -0.01 0.00 -0.04 0.00 0.00 33.50 31.44 1lkn n PRO 8 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1lkn s THR 9 N 0.04 4.99 0.61 0.52 2.01 -1.26 -4.83 115.64 117.72 1lkn s THR 9 Ca 0.69 -0.05 0.27 0.00 0.31 0.00 0.00 61.69 62.90 1lkn s THR 9 Cb -0.64 -3.86 0.35 0.00 0.01 0.00 0.00 72.50 68.36 1lkn s THR 9 CO 0.48 -0.72 1.70 -0.65 -0.69 0.00 0.00 174.62 174.75 1lkn h PRO 10 N 0.49 0.00 -0.04 4.92 0.11 -1.98 0.33 132.00 135.83 1lkn h PRO 10 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1lkn h PRO 10 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1lkn h PRO 10 CO 0.62 0.00 -0.21 0.93 -0.21 0.00 0.00 178.00 179.13 1lkn h GLU 11 N 0.00 0.22 -0.09 1.05 4.39 -2.02 -3.13 114.58 114.99 1lkn h GLU 11 Ca 0.24 -0.18 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 1lkn h GLU 11 Cb 1.58 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.25 1lkn h GLU 11 CO -0.00 0.82 -0.55 0.87 -1.16 0.00 0.00 179.01 178.99 1lkn h LYS 12 N -0.34 0.28 -0.50 2.33 1.57 -0.88 -2.90 116.57 116.14 1lkn h LYS 12 Ca -0.01 -0.18 0.14 0.00 -1.87 0.00 0.00 60.65 58.73 1lkn h LYS 12 Cb 0.86 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1lkn h LYS 12 CO 0.04 0.76 0.36 -0.07 -0.57 0.00 0.00 179.45 179.97 1lkn h LEU 13 N 0.22 0.04 -0.31 2.94 3.38 -0.64 0.50 115.31 121.44 1lkn h LEU 13 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1lkn h LEU 13 Cb 1.04 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1lkn h LEU 13 CO 0.09 0.02 0.17 0.11 0.09 0.00 0.00 178.44 178.91 1lkn h LYS 14 N 0.04 0.33 0.12 1.13 1.57 -1.45 1.24 116.57 119.56 1lkn h LYS 14 Ca 0.24 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 1lkn h LYS 14 Cb 0.90 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 33.15 1lkn h LYS 14 CO -0.01 0.22 -0.80 1.49 -0.57 0.00 0.00 179.45 179.78 1lkn h GLU 15 N 0.34 0.32 -0.62 3.15 4.22 -1.35 -3.28 114.58 117.36 1lkn h GLU 15 Ca 0.12 -0.51 0.00 0.00 0.08 0.00 0.00 59.36 59.05 1lkn h GLU 15 Cb 0.02 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1lkn h GLU 15 CO -0.07 1.23 0.00 1.47 -2.18 0.00 0.00 179.01 179.46 1lkn n LEU 16 N -4.13 2.92 -1.91 1.64 -0.00 0.04 -4.95 117.00 110.61 1lkn n LEU 16 Ca -0.13 -1.47 -0.08 0.00 -0.00 0.00 0.00 56.01 54.33 1lkn n LEU 16 Cb 0.81 -0.46 -0.08 0.00 -0.00 0.00 0.00 43.42 43.69 1lkn n LEU 16 CO 0.49 0.48 0.82 -1.20 -0.00 0.00 0.00 177.39 177.97 1lkn n SER 17 N 0.45 -0.68 0.33 1.45 7.64 0.43 -4.68 113.62 118.56 1lkn n SER 17 Ca 0.14 -0.31 0.22 0.00 1.01 0.00 0.00 58.87 59.93 1lkn n SER 17 Cb 0.58 -0.23 1.15 0.00 -1.01 0.00 0.00 64.21 64.69 1lkn n SER 17 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1lkn h VAL 18 N 3.03 0.03 -0.53 0.44 -1.51 -1.93 -2.34 116.25 113.45 1lkn h VAL 18 Ca 0.01 -0.06 0.16 0.00 -1.23 0.00 0.00 66.70 65.58 1lkn h VAL 18 Cb 0.48 1.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.68 1lkn h VAL 18 CO 0.66 0.00 0.61 1.05 -1.23 0.00 0.00 177.57 178.66 1lkn h GLU 19 N 0.00 0.00 -0.01 5.19 -0.00 -1.92 1.00 114.58 118.85 1lkn h GLU 19 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1lkn h GLU 19 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.81 1lkn h GLU 19 CO 0.00 0.00 -0.68 0.36 -0.00 0.00 0.00 179.01 178.69 1lkn n LYS 20 N -3.58 0.47 -3.37 1.06 2.85 -0.88 -4.94 118.16 109.77 1lkn n LYS 20 Ca 0.11 -0.36 -0.31 0.00 -1.05 0.00 0.00 58.31 56.69 1lkn n LYS 20 Cb 0.81 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 33.65 1lkn n LYS 20 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1lkn s TRP 21 N -2.78 3.43 1.21 5.58 0.51 0.35 -5.07 118.94 122.16 1lkn s TRP 21 Ca 0.14 0.86 -0.17 0.00 -2.12 0.00 0.00 56.10 54.81 1lkn s TRP 21 Cb 0.17 -2.26 0.24 0.00 -0.81 0.00 0.00 33.47 30.82 1lkn s TRP 21 CO 0.71 0.23 0.59 -0.35 -0.51 0.00 0.00 176.95 177.62 1lkn n PRO 22 N -0.31 -2.74 -4.18 4.98 -0.04 -1.26 -4.75 135.00 126.71 1lkn n PRO 22 Ca 0.00 -0.79 -0.17 0.00 -0.04 0.00 0.00 63.50 62.51 1lkn n PRO 22 Cb 0.53 -1.89 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 1lkn n PRO 22 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1lkn s ILE 23 N -2.25 0.87 -0.08 0.52 1.09 -1.26 -3.35 121.20 116.74 1lkn s ILE 23 Ca 0.61 -1.07 0.02 0.00 -1.10 0.00 0.00 60.65 59.11 1lkn s ILE 23 Cb -0.17 -0.84 0.01 0.00 -1.06 0.00 0.00 42.46 40.40 1lkn s ILE 23 CO 0.61 -0.20 -0.14 0.86 -0.10 0.00 0.00 174.94 175.97 1lkn s TRP 24 N -1.12 1.70 -0.15 3.97 -0.00 -0.07 -4.96 118.94 118.31 1lkn s TRP 24 Ca -0.03 -0.68 -0.02 0.00 -0.00 0.00 0.00 56.10 55.36 1lkn s TRP 24 Cb -0.09 -1.23 -0.02 0.00 -0.00 0.00 0.00 33.47 32.14 1lkn s TRP 24 CO 0.01 -0.34 -0.09 -1.83 -0.00 0.00 0.00 176.95 174.70 1lkn s GLU 25 N 0.73 3.49 -0.10 5.86 -1.05 -1.25 -2.31 118.70 124.07 1lkn s GLU 25 Ca -0.13 -0.62 -0.05 0.00 -0.15 0.00 0.00 54.97 54.03 1lkn s GLU 25 Cb -0.16 -2.78 0.05 0.00 -0.44 0.00 0.00 34.13 30.80 1lkn s GLU 25 CO 0.03 0.18 0.24 0.21 0.95 0.00 0.00 175.26 176.86 1lkn s LYS 26 N 0.49 0.18 0.76 -4.83 2.47 -0.35 -4.97 119.74 113.49 1lkn s LYS 26 Ca -0.06 0.55 -0.11 0.00 -1.56 0.00 0.00 55.97 54.78 1lkn s LYS 26 Cb -0.15 -0.12 0.05 0.00 -1.46 0.00 0.00 37.83 36.15 1lkn s LYS 26 CO 0.04 -0.18 1.10 -1.83 0.16 0.00 0.00 175.35 174.63 1lkn s GLU 27 N 1.45 2.28 0.00 4.03 1.03 -1.26 -0.13 118.70 126.10 1lkn s GLU 27 Ca -0.07 1.22 0.00 0.00 0.03 0.00 0.00 54.97 56.15 1lkn s GLU 27 Cb -0.11 -1.90 0.00 0.00 -0.80 0.00 0.00 34.13 31.33 1lkn s GLU 27 CO -0.08 -1.63 0.53 1.33 -1.33 0.00 0.00 175.26 174.08 1lkn n VAL 28 N -3.38 0.00 -2.13 1.83 0.24 -1.26 -4.74 118.33 108.89 1lkn n VAL 28 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1lkn n VAL 28 Cb 0.53 -1.25 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 1lkn n VAL 28 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1lkn n SER 29 N 3.24 0.00 -3.67 -1.34 7.64 -1.22 -4.71 113.62 113.56 1lkn n SER 29 Ca 0.00 -0.63 -0.08 0.00 1.01 0.00 0.00 58.87 59.17 1lkn n SER 29 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1lkn n SER 29 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1lkn s GLU 30 N -0.58 0.40 0.08 1.43 2.02 -1.26 -0.28 118.70 120.51 1lkn s GLU 30 Ca 0.00 1.03 0.07 0.00 0.02 0.00 0.00 54.97 56.08 1lkn s GLU 30 Cb 0.00 0.28 -0.03 0.00 0.10 0.00 0.00 34.13 34.48 1lkn s GLU 30 CO 0.00 -0.21 -0.18 -0.59 0.02 0.00 0.00 175.26 174.30 1lkn s PHE 31 N 2.24 1.52 0.22 1.61 -0.71 0.24 -4.96 117.98 118.13 1lkn s PHE 31 Ca -0.05 -0.42 -0.30 0.00 -1.04 0.00 0.00 56.93 55.12 1lkn s PHE 31 Cb -0.10 -0.85 -0.08 0.00 -1.21 0.00 0.00 43.02 40.77 1lkn s PHE 31 CO -0.14 0.12 0.96 0.16 -1.34 0.00 0.00 175.22 174.98 1lkn s ASP 32 N -1.67 7.59 -0.01 1.98 1.47 -1.26 0.17 116.67 124.93 1lkn s ASP 32 Ca 0.03 1.95 0.03 0.00 1.18 0.00 0.00 52.55 55.74 1lkn s ASP 32 Cb -0.10 -2.61 -0.00 0.00 -0.34 0.00 0.00 42.92 39.87 1lkn s ASP 32 CO 0.03 0.09 -0.11 0.86 0.68 0.00 0.00 175.17 176.72 1lkn s TRP 33 N -0.95 1.00 -0.15 2.11 -0.00 0.22 -4.84 118.94 116.34 1lkn s TRP 33 Ca 0.42 -0.21 -0.02 0.00 -0.00 0.00 0.00 56.10 56.30 1lkn s TRP 33 Cb -0.26 -0.67 0.05 0.00 -0.00 0.00 0.00 33.47 32.59 1lkn s TRP 33 CO 0.32 -0.05 -0.00 -0.47 -0.00 0.00 0.00 176.95 176.75 1lkn s TYR 34 N -0.11 1.17 0.38 5.86 6.14 -1.26 -0.84 117.35 128.69 1lkn s TYR 34 Ca 0.02 -0.76 0.05 0.00 0.64 0.00 0.00 57.07 57.02 1lkn s TYR 34 Cb -0.06 -1.07 -0.00 0.00 0.42 0.00 0.00 41.96 41.25 1lkn s TYR 34 CO -0.00 -0.54 0.54 -0.47 0.64 0.00 0.00 175.55 175.72 1lkn s TYR 35 N 1.81 3.07 -0.03 4.97 5.04 0.43 -4.98 117.35 127.66 1lkn s TYR 35 Ca 0.01 -0.15 0.14 0.00 -2.44 0.00 0.00 57.07 54.63 1lkn s TYR 35 Cb -0.15 -2.16 0.24 0.00 0.35 0.00 0.00 41.96 40.24 1lkn s TYR 35 CO -0.07 -0.19 1.11 -0.40 -1.34 0.00 0.00 175.55 174.65 1lkn n ASP 36 N -1.80 0.01 -1.90 4.32 5.68 -1.26 -2.37 116.55 119.23 1lkn n ASP 36 Ca 0.02 -2.01 -0.02 0.00 -0.50 0.00 0.00 54.79 52.28 1lkn n ASP 36 Cb 0.58 0.01 0.01 0.00 -1.14 0.00 0.00 41.12 40.58 1lkn n ASP 36 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1lkn n THR 37 N 0.13 0.00 -3.26 2.12 -1.04 -1.26 -4.46 114.28 106.50 1lkn n THR 37 Ca -0.10 -0.28 -0.38 0.00 -2.04 0.00 0.00 64.05 61.24 1lkn n THR 37 Cb 0.92 0.34 -0.06 0.00 -1.82 0.00 0.00 70.33 69.71 1lkn n THR 37 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1lkn s ASN 38 N -1.98 6.72 0.01 8.00 -0.87 -1.26 -1.61 114.94 123.96 1lkn s ASN 38 Ca 0.09 0.86 0.03 0.00 -1.57 0.00 0.00 52.86 52.27 1lkn s ASN 38 Cb -0.01 -2.31 -0.01 0.00 -0.02 0.00 0.00 41.25 38.90 1lkn s ASN 38 CO 0.03 -0.04 -0.11 -0.70 -2.57 0.00 0.00 177.10 173.71 1lkn s GLU 39 N 0.77 0.78 -0.03 -0.60 2.12 -0.48 -2.56 118.70 118.71 1lkn s GLU 39 Ca 0.28 -0.52 -0.01 0.00 0.36 0.00 0.00 54.97 55.08 1lkn s GLU 39 Cb -0.16 -0.75 0.03 0.00 0.26 0.00 0.00 34.13 33.52 1lkn s GLU 39 CO 0.11 0.19 0.04 0.99 -0.54 0.00 0.00 175.26 176.05 1lkn s THR 40 N -0.56 -0.07 0.14 -1.70 2.01 -1.06 0.19 115.64 114.58 1lkn s THR 40 Ca 0.01 0.27 0.05 0.00 0.31 0.00 0.00 61.69 62.33 1lkn s THR 40 Cb -0.06 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 1lkn s THR 40 CO 0.00 0.11 -0.11 0.00 -0.69 0.00 0.00 174.62 173.94 1lkn s TYR 42 N -3.14 2.04 0.14 0.00 5.04 0.28 -2.56 117.35 119.15 1lkn s TYR 42 Ca 0.15 -1.02 -0.23 0.00 -2.44 0.00 0.00 57.07 53.53 1lkn s TYR 42 Cb 0.01 -1.48 -0.08 0.00 0.35 0.00 0.00 41.96 40.76 1lkn s TYR 42 CO 0.01 -0.54 0.71 0.42 -1.34 0.00 0.00 175.55 174.80 1lkn s ILE 43 N 1.16 4.49 -0.06 3.14 -1.09 0.15 0.16 121.20 129.16 1lkn s ILE 43 Ca -0.03 1.53 0.06 0.00 -2.23 0.00 0.00 60.65 59.98 1lkn s ILE 43 Cb -0.14 -4.05 -0.08 0.00 -1.58 0.00 0.00 42.46 36.61 1lkn s ILE 43 CO -0.05 0.52 0.03 -0.11 -1.23 0.00 0.00 174.94 174.10 1lkn n LEU 44 N 1.58 0.00 -3.15 2.97 7.94 0.18 -1.06 117.00 125.46 1lkn n LEU 44 Ca -0.07 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.89 1lkn n LEU 44 Cb 0.49 0.14 -0.00 0.00 0.53 0.00 0.00 43.42 44.58 1lkn n LEU 44 CO 0.44 0.14 0.65 -1.83 -1.11 0.00 0.00 177.39 175.68 1lkn s GLU 45 N -2.18 0.04 0.00 1.96 -1.05 -1.11 -4.38 118.70 111.98 1lkn s GLU 45 Ca -0.03 0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.84 1lkn s GLU 45 Cb 0.02 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.74 1lkn s GLU 45 CO 0.25 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.80 1lkn n GLY 46 N 5.14 2.66 3.16 -3.83 0.00 -1.25 -1.80 105.19 109.27 1lkn n GLY 46 Ca 0.06 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 1lkn n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lkn s LYS 47 N -2.00 3.04 0.03 1.61 2.20 -1.25 -2.66 119.74 120.71 1lkn s LYS 47 Ca 0.00 -0.82 0.06 0.00 -0.36 0.00 0.00 55.97 54.85 1lkn s LYS 47 Cb 0.00 -2.58 -0.02 0.00 -1.51 0.00 0.00 37.83 33.72 1lkn s LYS 47 CO 0.00 -0.15 -0.17 0.08 -0.36 0.00 0.00 175.35 174.75 1lkn s VAL 48 N 1.16 1.32 -0.24 4.02 1.01 -1.18 0.89 120.40 127.38 1lkn s VAL 48 Ca 0.02 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.02 1lkn s VAL 48 Cb -0.14 -1.16 0.06 0.00 0.00 0.00 0.00 36.38 35.14 1lkn s VAL 48 CO -0.09 0.14 -0.10 -1.61 0.00 0.00 0.00 175.10 173.44 1lkn s GLU 49 N -0.99 2.12 -0.15 2.72 2.02 -0.77 -2.86 118.70 120.79 1lkn s GLU 49 Ca 0.04 -1.20 -0.07 0.00 0.02 0.00 0.00 54.97 53.76 1lkn s GLU 49 Cb -0.08 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 1lkn s GLU 49 CO 0.01 -0.55 0.10 0.08 0.02 0.00 0.00 175.26 174.93 1lkn s VAL 50 N 1.20 5.19 -0.18 2.63 1.01 -0.25 -3.77 120.40 126.24 1lkn s VAL 50 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1lkn s VAL 50 Cb -0.19 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1lkn s VAL 50 CO -0.06 0.53 -0.07 -0.89 0.00 0.00 0.00 175.10 174.61 1lkn s THR 51 N -0.32 1.32 0.75 3.92 2.01 -1.24 -0.82 115.64 121.26 1lkn s THR 51 Ca 0.10 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 1lkn s THR 51 Cb -0.12 -1.45 0.10 0.00 0.01 0.00 0.00 72.50 71.04 1lkn s THR 51 CO 0.01 0.15 1.07 0.42 -0.69 0.00 0.00 174.62 175.58 1lkn s THR 52 N 1.54 2.20 -0.06 -0.82 -4.23 -0.65 -2.21 115.64 111.42 1lkn s THR 52 Ca 0.00 -0.27 -0.23 0.00 -1.18 0.00 0.00 61.69 60.01 1lkn s THR 52 Cb -0.16 -2.93 -0.18 0.00 1.34 0.00 0.00 72.50 70.58 1lkn s THR 52 CO -0.08 0.00 0.91 -0.08 -0.54 0.00 0.00 174.62 174.83 1lkn h GLU 53 N -0.77 -0.13 -0.95 3.99 4.81 -1.21 -3.20 114.58 117.11 1lkn h GLU 53 Ca -0.43 0.01 0.28 0.00 -0.13 0.00 0.00 59.36 59.08 1lkn h GLU 53 Cb 1.29 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 1lkn h GLU 53 CO 0.53 0.38 0.84 -0.44 -0.73 0.00 0.00 179.01 179.60 1lkn h ASP 54 N -0.81 0.00 0.00 1.04 3.32 -1.96 -3.43 116.42 114.58 1lkn h ASP 54 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1lkn h ASP 54 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1lkn h ASP 54 CO 0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 1lkn n GLY 55 N -1.68 1.96 3.99 2.75 0.00 -1.21 -5.14 105.19 105.86 1lkn n GLY 55 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1lkn n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lkn s LYS 56 N -0.01 2.06 -0.19 1.61 -0.14 -1.26 -4.91 119.74 116.90 1lkn s LYS 56 Ca 0.00 -1.11 -0.21 0.00 -1.36 0.00 0.00 55.97 53.30 1lkn s LYS 56 Cb 0.00 -2.44 0.06 0.00 -1.68 0.00 0.00 37.83 33.77 1lkn s LYS 56 CO 0.00 -1.11 0.57 0.21 -0.76 0.00 0.00 175.35 174.26 1lkn s LYS 57 N -4.93 0.71 -0.09 1.68 2.20 -1.26 -1.64 119.74 116.41 1lkn s LYS 57 Ca 0.63 0.69 -0.03 0.00 -0.36 0.00 0.00 55.97 56.90 1lkn s LYS 57 Cb -0.07 0.34 0.04 0.00 -1.51 0.00 0.00 37.83 36.63 1lkn s LYS 57 CO 0.41 -0.11 0.06 0.71 -0.36 0.00 0.00 175.35 176.06 1lkn s TYR 58 N 0.07 0.23 -0.29 4.03 2.02 -0.00 -4.98 117.35 118.43 1lkn s TYR 58 Ca -0.02 -0.03 -0.07 0.00 -0.37 0.00 0.00 57.07 56.59 1lkn s TYR 58 Cb -0.04 -0.61 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 1lkn s TYR 58 CO 0.02 -0.32 0.08 0.54 -1.57 0.00 0.00 175.55 174.30 1lkn s VAL 59 N 2.12 4.04 -0.07 0.71 0.11 -1.26 -1.09 120.40 124.95 1lkn s VAL 59 Ca 0.04 -0.63 -0.00 0.00 -2.93 0.00 0.00 61.98 58.46 1lkn s VAL 59 Cb -0.13 -3.06 0.03 0.00 -1.53 0.00 0.00 36.38 31.68 1lkn s VAL 59 CO -0.05 0.10 -0.03 0.27 -3.33 0.00 0.00 175.10 172.06 1lkn s ILE 60 N 1.52 0.54 -0.01 7.04 -4.36 -1.14 -5.03 121.20 119.76 1lkn s ILE 60 Ca 0.03 -0.03 0.01 0.00 -0.26 0.00 0.00 60.65 60.40 1lkn s ILE 60 Cb -0.17 -0.63 0.01 0.00 1.25 0.00 0.00 42.46 42.92 1lkn s ILE 60 CO 0.03 0.27 -0.01 -0.70 0.24 0.00 0.00 174.94 174.76 1lkn s GLU 61 N 1.58 0.21 0.06 0.37 2.12 -1.26 -3.11 118.70 118.67 1lkn s GLU 61 Ca -0.00 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.30 1lkn s GLU 61 Cb -0.13 -0.27 0.00 0.00 0.26 0.00 0.00 34.13 33.99 1lkn s GLU 61 CO -0.04 -0.01 0.00 1.17 -0.54 0.00 0.00 175.26 175.84 1lkn n LYS 62 N 3.40 -3.22 -3.63 4.30 0.00 -1.09 -4.50 118.16 113.44 1lkn n LYS 62 Ca -0.17 2.30 -0.22 0.00 0.00 0.00 0.00 58.31 60.22 1lkn n LYS 62 Cb 0.56 -2.91 0.04 0.00 0.00 0.00 0.00 35.03 32.73 1lkn n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1lkn n GLY 63 N 1.86 -0.50 2.94 3.14 0.00 -0.22 -4.95 105.19 107.46 1lkn n GLY 63 Ca 0.00 0.23 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 1lkn n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lkn s ASP 64 N -4.12 0.59 -0.00 1.61 1.11 -1.21 -4.32 116.67 110.33 1lkn s ASP 64 Ca 0.12 -0.09 0.03 0.00 0.18 0.00 0.00 52.55 52.79 1lkn s ASP 64 Cb -0.03 -0.10 -0.01 0.00 1.07 0.00 0.00 42.92 43.85 1lkn s ASP 64 CO 0.81 0.04 -0.09 -1.48 1.18 0.00 0.00 175.17 175.63 1lkn s LEU 65 N 0.02 2.04 0.02 1.23 2.34 -0.51 0.31 118.68 124.13 1lkn s LEU 65 Ca 0.00 -0.19 -0.01 0.00 0.06 0.00 0.00 54.13 54.00 1lkn s LEU 65 Cb -0.03 -0.43 -0.02 0.00 -0.56 0.00 0.00 46.19 45.14 1lkn s LEU 65 CO -0.00 0.09 -0.02 0.68 -1.06 0.00 0.00 176.35 176.03 1lkn s VAL 66 N -0.29 0.13 0.59 1.48 -7.23 -1.06 -2.96 120.40 111.05 1lkn s VAL 66 Ca 0.03 -1.03 -0.07 0.00 -1.81 0.00 0.00 61.98 59.09 1lkn s VAL 66 Cb -0.04 -0.46 -0.01 0.00 0.56 0.00 0.00 36.38 36.44 1lkn s VAL 66 CO -0.00 -0.57 0.92 -0.89 -0.31 0.00 0.00 175.10 174.25 1lkn s THR 67 N -1.83 4.11 -0.06 5.32 2.01 -1.25 -2.71 115.64 121.23 1lkn s THR 67 Ca -0.12 0.26 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 1lkn s THR 67 Cb -0.07 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 68.84 1lkn s THR 67 CO -0.02 -0.70 0.16 -0.36 -0.69 0.00 0.00 174.62 173.01 1lkn s PHE 68 N -3.01 -0.18 0.37 4.92 0.08 0.50 -3.80 117.98 116.85 1lkn s PHE 68 Ca 0.53 0.46 -0.07 0.00 0.12 0.00 0.00 56.93 57.97 1lkn s PHE 68 Cb -0.11 0.00 -0.06 0.00 -0.57 0.00 0.00 43.02 42.29 1lkn s PHE 68 CO 0.47 -0.13 0.68 -1.25 -0.10 0.00 0.00 175.22 174.90 1lkn s PRO 69 N 0.59 3.69 0.22 0.24 0.04 -1.26 -1.38 135.00 137.13 1lkn s PRO 69 Ca -0.04 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 60.92 1lkn s PRO 69 Cb -0.06 -2.50 -0.10 0.00 0.04 0.00 0.00 34.50 31.88 1lkn s PRO 69 CO -0.03 0.05 1.47 0.21 0.04 0.00 0.00 177.00 178.74 1lkn s LYS 70 N -3.84 4.25 0.00 4.56 2.20 -0.63 -1.36 119.74 124.92 1lkn s LYS 70 Ca 0.48 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.40 1lkn s LYS 70 Cb -0.10 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1lkn s LYS 70 CO 0.32 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 1lkn n GLY 71 N 2.67 1.45 3.49 5.54 0.00 -1.00 -4.72 105.19 112.63 1lkn n GLY 71 Ca 0.09 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.50 1lkn n GLY 71 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1lkn n LEU 72 N 0.00 1.35 -4.18 0.99 -0.00 -0.46 -4.31 117.00 110.39 1lkn n LEU 72 Ca 0.00 0.85 -0.34 0.00 -0.00 0.00 0.00 56.01 56.52 1lkn n LEU 72 Cb 0.00 -0.99 -0.14 0.00 -0.00 0.00 0.00 43.42 42.29 1lkn n LEU 72 CO 0.00 -0.73 -0.40 -0.60 -0.00 0.00 0.00 177.39 175.66 1lkn s ARG 73 N 4.79 2.66 0.10 1.96 3.52 -1.26 0.16 118.95 130.88 1lkn s ARG 73 Ca 1.11 -1.10 -0.14 0.00 -0.13 0.00 0.00 55.73 55.47 1lkn s ARG 73 Cb -1.34 -3.02 0.02 0.00 -1.56 0.00 0.00 34.95 29.05 1lkn s ARG 73 CO 0.68 -0.48 0.34 0.00 -0.81 0.00 0.00 175.30 175.03 1lkn s ARG 75 N -3.65 4.06 -0.08 0.00 3.52 -0.94 -0.61 118.95 121.25 1lkn s ARG 75 Ca 0.02 -0.10 -0.17 0.00 -0.13 0.00 0.00 55.73 55.36 1lkn s ARG 75 Cb 0.02 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.78 1lkn s ARG 75 CO -0.11 -0.09 0.44 -1.58 -0.81 0.00 0.00 175.30 173.16 1lkn s TRP 76 N 1.50 3.58 -0.06 5.12 0.52 0.13 -3.64 118.94 126.09 1lkn s TRP 76 Ca 0.12 0.90 -0.03 0.00 0.02 0.00 0.00 56.10 57.11 1lkn s TRP 76 Cb -0.15 -2.46 0.03 0.00 -1.15 0.00 0.00 33.47 29.74 1lkn s TRP 76 CO 0.08 0.31 0.13 0.15 0.02 0.00 0.00 176.95 177.64 1lkn s LYS 77 N 0.10 0.09 -0.20 4.98 1.02 -1.25 0.79 119.74 125.28 1lkn s LYS 77 Ca 0.25 0.30 -0.02 0.00 0.02 0.00 0.00 55.97 56.51 1lkn s LYS 77 Cb -0.15 -0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 37.02 1lkn s LYS 77 CO 0.11 -0.13 -0.08 0.14 -0.92 0.00 0.00 175.35 174.47 1lkn s VAL 78 N 0.89 3.13 -2.08 3.17 -7.23 0.62 -1.84 120.40 117.05 1lkn s VAL 78 Ca -0.07 -0.59 0.13 0.00 -1.81 0.00 0.00 61.98 59.64 1lkn s VAL 78 Cb -0.09 -2.39 0.33 0.00 0.56 0.00 0.00 36.38 34.80 1lkn s VAL 78 CO -0.04 0.46 1.37 0.18 -0.31 0.00 0.00 175.10 176.76 1lkn n LEU 79 N 4.49 1.18 -3.60 1.32 4.77 0.26 -3.43 117.00 121.99 1lkn n LEU 79 Ca -0.19 -0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 55.16 1lkn n LEU 79 Cb 0.51 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1lkn n LEU 79 CO 0.29 0.27 0.83 -1.61 -1.33 0.00 0.00 177.39 175.85 1lkn s GLU 80 N -1.77 0.49 -0.49 3.23 2.02 -1.25 -4.84 118.70 116.09 1lkn s GLU 80 Ca 0.23 0.18 -0.45 0.00 0.02 0.00 0.00 54.97 54.95 1lkn s GLU 80 Cb 0.12 0.23 -0.19 0.00 0.10 0.00 0.00 34.13 34.39 1lkn s GLU 80 CO 0.17 -0.14 1.81 -2.30 0.02 0.00 0.00 175.26 174.82 1lkn n PRO 81 N 0.92 0.00 -4.00 0.39 -0.02 -1.26 -3.91 135.00 127.12 1lkn n PRO 81 Ca -0.09 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.04 1lkn n PRO 81 Cb 0.58 -1.48 -0.09 0.00 -0.02 0.00 0.00 33.50 32.49 1lkn n PRO 81 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1lkn s VAL 82 N 4.26 4.94 -0.20 -1.45 0.11 0.82 -3.79 120.40 125.10 1lkn s VAL 82 Ca 1.10 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 60.14 1lkn s VAL 82 Cb -1.48 -3.20 0.06 0.00 -1.53 0.00 0.00 36.38 30.23 1lkn s VAL 82 CO 0.74 0.51 0.03 -0.13 -3.33 0.00 0.00 175.10 172.92 1lkn s ARG 83 N -0.08 0.73 0.06 1.54 3.00 -0.74 -1.21 118.95 122.24 1lkn s ARG 83 Ca 0.07 -0.46 0.01 0.00 0.00 0.00 0.00 55.73 55.35 1lkn s ARG 83 Cb -0.12 -2.14 -0.03 0.00 0.00 0.00 0.00 34.95 32.65 1lkn s ARG 83 CO 0.01 -0.64 -0.06 -1.59 0.00 0.00 0.00 175.30 173.03 1lkn s LYS 84 N 1.82 0.65 0.32 3.54 -2.85 -0.98 0.48 119.74 122.72 1lkn s LYS 84 Ca -0.01 -1.08 0.06 0.00 -1.00 0.00 0.00 55.97 53.93 1lkn s LYS 84 Cb -0.17 -0.10 -0.01 0.00 -2.06 0.00 0.00 37.83 35.49 1lkn s LYS 84 CO -0.08 -0.03 0.46 -1.01 0.10 0.00 0.00 175.35 174.79 1lkn s HIS 85 N -2.89 3.21 0.29 1.78 3.76 0.42 -0.89 115.29 120.97 1lkn s HIS 85 Ca 0.02 -0.14 0.11 0.00 -0.15 0.00 0.00 55.06 54.91 1lkn s HIS 85 Cb 0.00 -1.91 -0.05 0.00 1.11 0.00 0.00 32.58 31.74 1lkn s HIS 85 CO -0.04 0.08 -0.15 0.71 -0.85 0.00 0.00 174.74 174.49 1lkn s TYR 86 N -2.15 2.37 -0.45 1.40 2.02 -1.21 -0.55 117.35 118.77 1lkn s TYR 86 Ca 0.42 -0.34 0.06 0.00 -0.37 0.00 0.00 57.07 56.84 1lkn s TYR 86 Cb -0.09 -1.09 0.30 0.00 -0.40 0.00 0.00 41.96 40.68 1lkn s TYR 86 CO 0.31 0.68 1.10 -1.71 -1.57 0.00 0.00 175.55 174.36 1lkn n ASN 87 N -0.70 -2.34 -4.74 2.29 5.15 0.29 -4.63 115.26 110.58 1lkn n ASN 87 Ca -0.05 -3.42 -0.40 0.00 -0.60 0.00 0.00 54.58 50.12 1lkn n ASN 87 Cb 0.60 1.82 -0.05 0.00 -0.53 0.00 0.00 39.78 41.62 1lkn n ASN 87 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1lkn s LEU 88 N -1.79 4.41 0.00 1.20 1.43 -1.26 -2.57 118.68 120.09 1lkn s LEU 88 Ca 0.24 1.32 0.13 0.00 -1.03 0.00 0.00 54.13 54.79 1lkn s LEU 88 Cb 0.28 -3.13 0.10 0.00 0.03 0.00 0.00 46.19 43.46 1lkn s LEU 88 CO -0.11 -0.01 0.90 0.49 0.23 0.00 0.00 176.35 177.86