#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 -3.76 -4.05 0.03 2.13 -1.26 -4.10 120.64 109.63 1lkn n GLU 2 Ca 0.00 0.45 -0.33 0.00 0.66 0.00 0.00 57.16 57.94 1lkn n GLU 2 Cb 0.00 -4.82 -0.15 0.00 0.27 0.00 0.00 31.44 26.74 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 -3.74 2.35 0.17 6.31 1.01 -1.25 -3.86 120.40 121.39 1lkn s VAL 3 Ca 0.19 -1.30 0.10 0.00 0.00 0.00 0.00 61.98 60.97 1lkn s VAL 3 Cb -0.10 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1lkn s VAL 3 CO 0.88 0.17 -0.19 -1.59 0.00 0.00 0.00 175.10 174.36 1lkn s LYS 4 N 1.21 1.72 -0.20 2.72 0.00 -1.26 -4.91 119.74 119.02 1lkn s LYS 4 Ca -0.03 -1.36 0.00 0.00 0.00 0.00 0.00 55.97 54.58 1lkn s LYS 4 Cb -0.17 -2.00 0.02 0.00 0.00 0.00 0.00 37.83 35.68 1lkn s LYS 4 CO -0.07 0.43 -0.15 0.42 0.00 0.00 0.00 175.35 175.99 1lkn s ILE 5 N -1.50 2.41 0.00 3.79 -1.09 -1.26 -3.69 121.20 119.85 1lkn s ILE 5 Ca 0.21 -0.95 -0.18 0.00 -2.23 0.00 0.00 60.65 57.50 1lkn s ILE 5 Cb -0.09 -2.10 0.03 0.00 -1.58 0.00 0.00 42.46 38.72 1lkn s ILE 5 CO 0.11 0.42 0.39 -1.61 -1.23 0.00 0.00 174.94 173.01 1lkn s GLU 6 N 1.31 0.80 -0.47 2.79 2.02 -1.13 -5.02 118.70 119.01 1lkn s GLU 6 Ca 0.03 -0.20 -0.08 0.00 0.02 0.00 0.00 54.97 54.74 1lkn s GLU 6 Cb -0.14 0.36 0.12 0.00 0.10 0.00 0.00 34.13 34.57 1lkn s GLU 6 CO -0.09 -0.24 0.32 0.15 0.02 0.00 0.00 175.26 175.42 1lkn s LYS 7 N -1.72 2.39 0.07 1.61 1.02 -1.26 -1.15 119.74 120.71 1lkn s LYS 7 Ca -0.10 -1.81 -0.35 0.00 0.02 0.00 0.00 55.97 53.73 1lkn s LYS 7 Cb -0.03 -3.86 -0.14 0.00 -0.52 0.00 0.00 37.83 33.28 1lkn s LYS 7 CO 0.03 -1.17 1.59 -0.35 -0.92 0.00 0.00 175.35 174.53 1lkn n PRO 8 N 4.79 1.89 -2.84 -1.68 -0.04 -1.26 -4.97 135.00 130.89 1lkn n PRO 8 Ca -0.06 0.69 -0.30 0.00 -0.04 0.00 0.00 63.50 63.78 1lkn n PRO 8 Cb 0.41 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 1lkn n PRO 8 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1lkn s THR 9 N 1.56 4.77 0.54 0.52 -1.32 -1.26 -4.70 115.64 115.75 1lkn s THR 9 Ca 0.84 0.66 0.49 0.00 -1.21 0.00 0.00 61.69 62.47 1lkn s THR 9 Cb -0.76 -3.73 0.73 0.00 -1.51 0.00 0.00 72.50 67.23 1lkn s THR 9 CO 0.44 -0.52 1.53 -2.65 -2.21 0.00 0.00 174.62 171.21 1lkn n PRO 10 N -1.28 -0.00 -0.03 7.08 -0.01 -1.26 0.11 135.00 139.60 1lkn n PRO 10 Ca 0.03 1.07 -0.14 0.00 -0.01 0.00 0.00 63.50 64.44 1lkn n PRO 10 Cb 0.54 -2.45 -0.10 0.00 -0.01 0.00 0.00 33.50 31.48 1lkn n PRO 10 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 1lkn h GLU 11 N 0.00 0.13 0.00 -0.52 5.08 -2.01 -2.90 114.58 114.36 1lkn h GLU 11 Ca 0.92 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 59.04 1lkn h GLU 11 Cb 3.70 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 32.95 1lkn h GLU 11 CO -0.02 0.73 -0.67 0.87 -1.00 0.00 0.00 179.01 178.91 1lkn h LYS 12 N -0.44 0.00 -0.02 2.33 6.56 0.37 -3.05 116.57 122.32 1lkn h LYS 12 Ca -0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 1lkn h LYS 12 Cb 0.74 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.39 1lkn h LYS 12 CO 0.02 0.67 -0.12 -0.07 -2.06 0.00 0.00 179.45 177.90 1lkn h LEU 13 N 0.00 0.03 -0.25 2.94 3.38 0.17 -0.21 115.31 121.38 1lkn h LEU 13 Ca -0.01 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1lkn h LEU 13 Cb 1.23 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1lkn h LEU 13 CO 0.09 0.15 -0.00 0.11 0.09 0.00 0.00 178.44 178.88 1lkn h LYS 14 N 0.03 0.07 0.00 1.13 1.57 -1.39 1.30 116.57 119.28 1lkn h LYS 14 Ca 0.01 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1lkn h LYS 14 Cb 0.23 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1lkn h LYS 14 CO 0.02 0.05 -0.71 0.93 -0.57 0.00 0.00 179.45 179.17 1lkn h GLU 15 N 0.07 0.00 -0.59 3.15 4.39 -1.65 -3.12 114.58 116.83 1lkn h GLU 15 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1lkn h GLU 15 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1lkn h GLU 15 CO -0.20 0.71 0.00 1.28 -1.16 0.00 0.00 179.01 179.64 1lkn n LEU 16 N -3.31 3.22 -2.12 1.33 4.32 -0.12 -4.95 117.00 115.37 1lkn n LEU 16 Ca 0.01 -1.62 -0.09 0.00 -0.02 0.00 0.00 56.01 54.29 1lkn n LEU 16 Cb 0.81 -0.45 -0.10 0.00 -1.62 0.00 0.00 43.42 42.06 1lkn n LEU 16 CO 0.43 0.57 0.93 -1.20 -1.22 0.00 0.00 177.39 176.90 1lkn n SER 17 N 0.67 -0.74 0.21 -1.43 7.64 0.44 -4.70 113.62 115.71 1lkn n SER 17 Ca 0.17 -0.32 0.14 0.00 1.01 0.00 0.00 58.87 59.87 1lkn n SER 17 Cb 0.61 -0.26 0.51 0.00 -1.01 0.00 0.00 64.21 64.06 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 3.36 0.00 -0.29 0.44 -1.51 -1.93 -3.10 116.25 113.22 1lkn h VAL 18 Ca 0.02 -0.51 0.08 0.00 -1.23 0.00 0.00 66.70 65.06 1lkn h VAL 18 Cb 0.53 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 1lkn h VAL 18 CO 0.74 0.00 0.41 1.05 -1.23 0.00 0.00 177.57 178.54 1lkn h GLU 19 N 0.00 0.00 0.00 5.19 4.11 -1.94 0.22 114.58 122.16 1lkn h GLU 19 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1lkn h GLU 19 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1lkn h GLU 19 CO 0.00 0.00 -1.86 0.36 0.07 0.00 0.00 179.01 177.58 1lkn n LYS 20 N -3.48 0.65 -2.38 1.06 2.85 -1.17 -4.95 118.16 110.74 1lkn n LYS 20 Ca 0.04 -0.10 -0.38 0.00 -1.05 0.00 0.00 58.31 56.82 1lkn n LYS 20 Cb 0.55 -1.58 -0.03 0.00 -0.65 0.00 0.00 35.03 33.31 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 -3.34 3.21 1.00 5.58 0.51 0.75 -5.01 118.94 121.65 1lkn s TRP 21 Ca -0.07 1.60 -0.13 0.00 -2.12 0.00 0.00 56.10 55.38 1lkn s TRP 21 Cb 0.12 -3.32 0.18 0.00 -0.81 0.00 0.00 33.47 29.65 1lkn s TRP 21 CO 0.88 -1.02 0.38 -0.35 -0.51 0.00 0.00 176.95 176.33 1lkn n PRO 22 N 0.27 -2.38 -4.15 4.98 -0.04 -1.26 -4.71 135.00 127.71 1lkn n PRO 22 Ca 0.03 -0.71 -0.16 0.00 -0.04 0.00 0.00 63.50 62.63 1lkn n PRO 22 Cb 0.47 -1.47 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.06 0.71 0.05 0.52 1.09 -1.26 -3.74 121.20 116.51 1lkn s ILE 23 Ca 0.35 -0.97 0.04 0.00 -1.10 0.00 0.00 60.65 58.97 1lkn s ILE 23 Cb -0.06 -0.71 -0.02 0.00 -1.06 0.00 0.00 42.46 40.60 1lkn s ILE 23 CO 0.31 -0.21 -0.12 0.86 -0.10 0.00 0.00 174.94 175.68 1lkn s TRP 24 N -1.07 1.01 -0.05 3.97 -0.00 -0.89 -5.01 118.94 116.90 1lkn s TRP 24 Ca -0.05 -0.43 0.03 0.00 -0.00 0.00 0.00 56.10 55.65 1lkn s TRP 24 Cb -0.08 -0.58 0.01 0.00 -0.00 0.00 0.00 33.47 32.81 1lkn s TRP 24 CO 0.01 0.01 -0.13 -1.21 -0.00 0.00 0.00 176.95 175.62 1lkn s GLU 25 N -1.50 1.56 -0.05 5.86 2.02 -1.26 -2.83 118.70 122.51 1lkn s GLU 25 Ca -0.04 -0.46 -0.02 0.00 0.02 0.00 0.00 54.97 54.48 1lkn s GLU 25 Cb -0.09 -1.34 0.04 0.00 0.10 0.00 0.00 34.13 32.83 1lkn s GLU 25 CO 0.01 0.12 0.09 0.21 0.02 0.00 0.00 175.26 175.71 1lkn s LYS 26 N 0.34 -0.02 0.78 1.61 2.47 -0.33 -4.98 119.74 119.60 1lkn s LYS 26 Ca -0.08 0.37 -0.11 0.00 -1.56 0.00 0.00 55.97 54.59 1lkn s LYS 26 Cb -0.13 -0.34 0.06 0.00 -1.46 0.00 0.00 37.83 35.96 1lkn s LYS 26 CO 0.02 -0.26 1.11 -1.83 0.16 0.00 0.00 175.35 174.55 1lkn s GLU 27 N 1.77 2.12 0.00 4.03 1.03 -1.26 -0.76 118.70 125.63 1lkn s GLU 27 Ca -0.01 1.28 -0.01 0.00 0.03 0.00 0.00 54.97 56.26 1lkn s GLU 27 Cb -0.12 -1.87 -0.03 0.00 -0.80 0.00 0.00 34.13 31.31 1lkn s GLU 27 CO -0.04 -1.76 0.75 1.33 -1.33 0.00 0.00 175.26 174.21 1lkn n VAL 28 N -3.47 0.46 -1.46 1.83 0.24 -1.26 -4.65 118.33 110.02 1lkn n VAL 28 Ca 0.10 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1lkn n VAL 28 Cb 0.53 -1.37 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 1lkn n VAL 28 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1lkn n SER 29 N 2.47 0.00 -3.71 -1.34 2.88 -1.21 -4.55 113.62 108.16 1lkn n SER 29 Ca 0.04 -0.17 -0.14 0.00 -1.33 0.00 0.00 58.87 57.27 1lkn n SER 29 Cb 0.13 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.45 1lkn n SER 29 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1lkn s GLU 30 N 1.22 0.10 0.08 -1.46 8.01 -1.26 0.77 118.70 126.17 1lkn s GLU 30 Ca 0.00 0.51 0.08 0.00 0.01 0.00 0.00 54.97 55.57 1lkn s GLU 30 Cb 0.00 -0.18 -0.03 0.00 -4.31 0.00 0.00 34.13 29.61 1lkn s GLU 30 CO 0.00 -0.22 -0.20 -0.59 0.01 0.00 0.00 175.26 174.25 1lkn s PHE 31 N 1.69 1.74 -0.54 1.61 -0.71 0.92 -4.96 117.98 117.75 1lkn s PHE 31 Ca -0.04 -0.41 -0.11 0.00 -1.04 0.00 0.00 56.93 55.33 1lkn s PHE 31 Cb -0.12 -0.98 0.14 0.00 -1.21 0.00 0.00 43.02 40.85 1lkn s PHE 31 CO -0.07 0.17 0.44 -0.51 -1.34 0.00 0.00 175.22 173.91 1lkn s ASP 32 N -1.70 5.93 0.22 1.98 1.11 -1.26 0.14 116.67 123.08 1lkn s ASP 32 Ca 0.06 -2.02 0.09 0.00 0.18 0.00 0.00 52.55 50.87 1lkn s ASP 32 Cb -0.10 -2.08 -0.04 0.00 1.07 0.00 0.00 42.92 41.77 1lkn s ASP 32 CO 0.03 -0.71 -0.08 0.86 1.18 0.00 0.00 175.17 176.45 1lkn s TRP 33 N 1.22 2.61 -0.00 4.23 -0.00 -1.14 -4.99 118.94 120.87 1lkn s TRP 33 Ca 0.07 -0.24 0.08 0.00 -0.00 0.00 0.00 56.10 56.01 1lkn s TRP 33 Cb -0.25 -1.22 -0.02 0.00 -0.00 0.00 0.00 33.47 31.97 1lkn s TRP 33 CO -0.01 0.57 -0.23 -0.47 -0.00 0.00 0.00 176.95 176.81 1lkn s TYR 34 N -1.99 2.41 0.11 5.86 6.14 -1.26 -2.44 117.35 126.18 1lkn s TYR 34 Ca 0.27 -0.37 -0.30 0.00 0.64 0.00 0.00 57.07 57.31 1lkn s TYR 34 Cb -0.08 -1.49 -0.06 0.00 0.42 0.00 0.00 41.96 40.76 1lkn s TYR 34 CO 0.17 0.07 0.97 -0.47 0.64 0.00 0.00 175.55 176.92 1lkn s TYR 35 N -0.71 3.80 -0.02 4.97 6.14 -0.95 -4.93 117.35 125.65 1lkn s TYR 35 Ca 0.11 1.79 0.01 0.00 0.64 0.00 0.00 57.07 59.63 1lkn s TYR 35 Cb -0.10 -3.06 -0.02 0.00 0.42 0.00 0.00 41.96 39.20 1lkn s TYR 35 CO 0.01 0.18 -0.00 -3.47 0.64 0.00 0.00 175.55 172.90 1lkn n ASP 36 N 2.79 4.32 -3.80 4.32 -0.08 -1.26 -0.38 116.55 122.45 1lkn n ASP 36 Ca 0.02 -0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.18 1lkn n ASP 36 Cb 0.49 0.35 -0.10 0.00 2.34 0.00 0.00 41.12 44.20 1lkn n ASP 36 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1lkn s THR 37 N -2.04 0.04 -0.29 5.18 2.01 -1.26 -4.55 115.64 114.73 1lkn s THR 37 Ca -0.02 -0.33 -0.42 0.00 0.31 0.00 0.00 61.69 61.24 1lkn s THR 37 Cb 0.01 -0.45 -0.17 0.00 0.01 0.00 0.00 72.50 71.89 1lkn s THR 37 CO 0.07 -0.18 1.63 -3.20 -0.69 0.00 0.00 174.62 172.25 1lkn n ASN 38 N 2.06 1.88 -3.92 3.53 2.85 -1.26 -4.74 115.26 115.66 1lkn n ASN 38 Ca -0.18 1.11 -0.22 0.00 -0.11 0.00 0.00 54.58 55.18 1lkn n ASN 38 Cb 0.57 -1.07 -0.17 0.00 1.24 0.00 0.00 39.78 40.36 1lkn n ASN 38 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1lkn s GLU 39 N 2.91 1.13 -0.12 1.20 2.12 -1.25 -3.31 118.70 121.38 1lkn s GLU 39 Ca 0.98 -0.19 0.02 0.00 0.36 0.00 0.00 54.97 56.15 1lkn s GLU 39 Cb -1.18 -1.10 0.00 0.00 0.26 0.00 0.00 34.13 32.11 1lkn s GLU 39 CO 0.68 -0.09 -0.21 0.99 -0.54 0.00 0.00 175.26 176.09 1lkn s THR 40 N 1.03 2.27 0.14 -1.70 2.01 -1.20 -3.90 115.64 114.29 1lkn s THR 40 Ca -0.09 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.03 1lkn s THR 40 Cb -0.14 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1lkn s THR 40 CO -0.00 0.55 -0.11 0.00 -0.69 0.00 0.00 174.62 174.36 1lkn s TYR 42 N -2.95 2.34 0.43 0.00 5.04 -0.08 -3.32 117.35 118.80 1lkn s TYR 42 Ca 0.14 -1.21 -0.22 0.00 -2.44 0.00 0.00 57.07 53.34 1lkn s TYR 42 Cb 0.00 -1.65 -0.09 0.00 0.35 0.00 0.00 41.96 40.57 1lkn s TYR 42 CO 0.02 -0.60 1.02 0.42 -1.34 0.00 0.00 175.55 175.06 1lkn s ILE 43 N 1.08 3.89 0.00 3.14 -1.09 0.33 0.99 121.20 129.55 1lkn s ILE 43 Ca -0.03 1.32 0.00 0.00 -2.23 0.00 0.00 60.65 59.71 1lkn s ILE 43 Cb -0.14 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1lkn s ILE 43 CO -0.05 -0.12 0.00 -0.11 -1.23 0.00 0.00 174.94 173.43 1lkn n LEU 44 N -0.41 2.18 -3.15 2.97 7.94 0.17 -1.80 117.00 124.90 1lkn n LEU 44 Ca 0.06 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 55.01 1lkn n LEU 44 Cb 0.51 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.46 1lkn n LEU 44 CO 0.42 0.36 0.37 -1.83 -1.11 0.00 0.00 177.39 175.61 1lkn s GLU 45 N -1.89 0.29 0.00 1.96 -1.05 -1.18 -4.09 118.70 112.75 1lkn s GLU 45 Ca 0.00 0.30 0.00 0.00 -0.15 0.00 0.00 54.97 55.12 1lkn s GLU 45 Cb 0.00 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 1lkn s GLU 45 CO 0.00 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.09 1lkn n GLY 46 N 5.24 1.95 3.03 -3.83 0.00 -1.24 -2.50 105.19 107.83 1lkn n GLY 46 Ca 0.07 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 1lkn n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lkn s LYS 47 N -2.00 2.25 -0.08 1.61 1.02 -1.22 -2.66 119.74 118.67 1lkn s LYS 47 Ca 0.00 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.45 1lkn s LYS 47 Cb 0.00 -2.03 0.02 0.00 -0.52 0.00 0.00 37.83 35.30 1lkn s LYS 47 CO 0.00 -0.19 -0.10 0.08 -0.92 0.00 0.00 175.35 174.22 1lkn s VAL 48 N 1.35 1.03 -0.30 3.17 1.01 -1.04 -0.56 120.40 125.06 1lkn s VAL 48 Ca 0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 1lkn s VAL 48 Cb -0.13 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1lkn s VAL 48 CO -0.08 0.34 0.07 -1.61 0.00 0.00 0.00 175.10 173.83 1lkn s GLU 49 N 1.00 3.00 -0.16 2.72 2.02 -0.78 -2.12 118.70 124.37 1lkn s GLU 49 Ca -0.08 -0.92 -0.08 0.00 0.02 0.00 0.00 54.97 53.91 1lkn s GLU 49 Cb -0.15 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 1lkn s GLU 49 CO -0.00 -0.48 0.10 0.08 0.02 0.00 0.00 175.26 174.98 1lkn s VAL 50 N 1.47 5.15 -0.17 2.63 1.01 -0.31 -3.49 120.40 126.69 1lkn s VAL 50 Ca 0.02 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 1lkn s VAL 50 Cb -0.18 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 32.95 1lkn s VAL 50 CO 0.02 0.51 -0.07 -0.89 0.00 0.00 0.00 175.10 174.67 1lkn s THR 51 N -0.12 1.28 0.11 3.92 2.01 -1.18 -1.11 115.64 120.55 1lkn s THR 51 Ca 0.09 -0.74 -0.13 0.00 0.31 0.00 0.00 61.69 61.21 1lkn s THR 51 Cb -0.12 -1.42 -0.06 0.00 0.01 0.00 0.00 72.50 70.91 1lkn s THR 51 CO 0.01 0.15 0.50 0.42 -0.69 0.00 0.00 174.62 175.00 1lkn s THR 52 N 1.56 4.93 0.28 -0.82 -4.23 -0.90 -2.43 115.64 114.03 1lkn s THR 52 Ca 0.00 0.76 0.02 0.00 -1.18 0.00 0.00 61.69 61.29 1lkn s THR 52 Cb -0.15 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.23 1lkn s THR 52 CO -0.08 0.31 1.78 1.05 -0.54 0.00 0.00 174.62 177.14 1lkn h GLU 53 N 3.79 0.70 -0.94 3.99 -0.00 -1.89 0.14 114.58 120.36 1lkn h GLU 53 Ca -0.49 -0.04 0.26 0.00 -0.00 0.00 0.00 59.36 59.08 1lkn h GLU 53 Cb 1.20 -0.16 -0.05 0.00 -0.00 0.00 0.00 28.75 29.74 1lkn h GLU 53 CO 0.65 0.46 0.66 -0.44 -0.00 0.00 0.00 179.01 180.34 1lkn h ASP 54 N 0.72 0.14 0.00 3.06 5.19 -1.94 -3.44 116.42 120.15 1lkn h ASP 54 Ca 0.51 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 1lkn h ASP 54 Cb 0.72 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.22 1lkn h ASP 54 CO -0.36 0.04 0.00 0.61 -3.12 0.00 0.00 179.24 176.42 1lkn n GLY 55 N -1.65 1.95 4.01 2.75 0.00 0.49 -5.14 105.19 107.60 1lkn n GLY 55 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.04 2.43 -0.22 1.61 -0.14 -1.19 -4.93 119.74 117.26 1lkn s LYS 56 Ca 0.00 -1.58 -0.17 0.00 -1.36 0.00 0.00 55.97 52.86 1lkn s LYS 56 Cb 0.00 -2.61 0.06 0.00 -1.68 0.00 0.00 37.83 33.60 1lkn s LYS 56 CO 0.00 -0.68 0.57 0.21 -0.76 0.00 0.00 175.35 174.69 1lkn s LYS 57 N -4.54 0.63 -0.14 1.68 2.47 -1.26 -2.12 119.74 116.47 1lkn s LYS 57 Ca 0.57 0.89 -0.03 0.00 -1.56 0.00 0.00 55.97 55.84 1lkn s LYS 57 Cb -0.06 0.22 0.05 0.00 -1.46 0.00 0.00 37.83 36.58 1lkn s LYS 57 CO 0.36 -0.11 0.05 0.71 0.16 0.00 0.00 175.35 176.51 1lkn s TYR 58 N 0.78 0.58 -0.32 4.03 2.02 -0.27 -4.98 117.35 119.19 1lkn s TYR 58 Ca -0.04 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.15 1lkn s TYR 58 Cb -0.05 -0.81 -0.01 0.00 -0.40 0.00 0.00 41.96 40.69 1lkn s TYR 58 CO -0.06 -0.47 0.18 0.14 -1.57 0.00 0.00 175.55 173.77 1lkn s VAL 59 N 2.01 4.82 -0.16 0.71 -7.23 -1.26 -1.16 120.40 118.12 1lkn s VAL 59 Ca 0.02 -0.35 0.01 0.00 -1.81 0.00 0.00 61.98 59.85 1lkn s VAL 59 Cb -0.15 -3.46 0.03 0.00 0.56 0.00 0.00 36.38 33.35 1lkn s VAL 59 CO -0.07 0.05 -0.15 0.27 -0.31 0.00 0.00 175.10 174.89 1lkn s ILE 60 N 1.65 1.70 -0.01 -0.62 -4.36 -0.90 -5.03 121.20 113.63 1lkn s ILE 60 Ca 0.05 -0.77 0.00 0.00 -0.26 0.00 0.00 60.65 59.67 1lkn s ILE 60 Cb -0.17 -1.61 0.01 0.00 1.25 0.00 0.00 42.46 41.94 1lkn s ILE 60 CO 0.08 0.43 0.00 -0.70 0.24 0.00 0.00 174.94 174.99 1lkn s GLU 61 N 1.42 0.08 0.07 0.37 2.12 -1.26 -2.50 118.70 119.00 1lkn s GLU 61 Ca 0.04 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.41 1lkn s GLU 61 Cb -0.13 -0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.07 1lkn s GLU 61 CO -0.11 -0.06 0.00 1.17 -0.54 0.00 0.00 175.26 175.73 1lkn n LYS 62 N 3.54 -2.75 -3.81 4.30 0.00 -1.09 -4.51 118.16 113.84 1lkn n LYS 62 Ca -0.19 1.96 -0.35 0.00 0.00 0.00 0.00 58.31 59.73 1lkn n LYS 62 Cb 0.55 -2.51 0.03 0.00 0.00 0.00 0.00 35.03 33.11 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 1.82 -0.98 3.20 3.14 0.00 -0.75 -4.92 105.19 106.71 1lkn n GLY 63 Ca 0.00 0.43 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 1lkn n GLY 63 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1lkn s ASP 64 N -3.42 0.09 0.03 1.61 1.47 -1.20 -4.52 116.67 110.74 1lkn s ASP 64 Ca 0.42 -0.57 0.01 0.00 1.18 0.00 0.00 52.55 53.59 1lkn s ASP 64 Cb -0.18 0.33 -0.02 0.00 -0.34 0.00 0.00 42.92 42.70 1lkn s ASP 64 CO 0.90 -0.68 -0.05 -1.48 0.68 0.00 0.00 175.17 174.54 1lkn s LEU 65 N -2.64 2.21 0.04 2.11 2.34 -0.30 0.12 118.68 122.57 1lkn s LEU 65 Ca 0.02 -0.45 0.02 0.00 0.06 0.00 0.00 54.13 53.78 1lkn s LEU 65 Cb 0.03 -0.06 -0.03 0.00 -0.56 0.00 0.00 46.19 45.58 1lkn s LEU 65 CO -0.09 -0.21 -0.07 -0.69 -1.06 0.00 0.00 176.35 174.23 1lkn s VAL 66 N -1.21 0.50 0.00 1.48 1.01 -1.21 -2.82 120.40 118.16 1lkn s VAL 66 Ca -0.11 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 60.71 1lkn s VAL 66 Cb -0.09 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1lkn s VAL 66 CO -0.00 -0.45 0.19 -0.89 0.00 0.00 0.00 175.10 173.95 1lkn s THR 67 N -1.62 5.42 -0.05 3.92 2.01 -1.24 -3.95 115.64 120.14 1lkn s THR 67 Ca -0.09 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 1lkn s THR 67 Cb -0.08 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.89 1lkn s THR 67 CO -0.00 0.30 0.12 -0.36 -0.69 0.00 0.00 174.62 173.99 1lkn s PHE 68 N -1.35 -0.13 0.20 4.92 0.08 -1.25 -3.85 117.98 116.60 1lkn s PHE 68 Ca 0.28 0.33 -0.18 0.00 0.12 0.00 0.00 56.93 57.49 1lkn s PHE 68 Cb -0.13 0.03 -0.08 0.00 -0.57 0.00 0.00 43.02 42.27 1lkn s PHE 68 CO 0.20 -0.07 0.67 -1.25 -0.10 0.00 0.00 175.22 174.66 1lkn s PRO 69 N 0.18 4.15 0.35 0.24 0.04 -1.26 -3.97 135.00 134.73 1lkn s PRO 69 Ca -0.01 0.73 -0.26 0.00 0.04 0.00 0.00 61.00 61.50 1lkn s PRO 69 Cb -0.02 -2.88 -0.12 0.00 0.04 0.00 0.00 34.50 31.52 1lkn s PRO 69 CO -0.00 0.41 1.00 1.17 0.04 0.00 0.00 177.00 179.61 1lkn n LYS 70 N 0.70 1.35 0.00 4.56 4.81 -1.26 -1.21 118.16 127.11 1lkn n LYS 70 Ca -0.03 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1lkn n LYS 70 Cb 0.51 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.64 1lkn n LYS 70 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lkn n GLY 71 N 1.21 3.00 3.51 3.14 0.00 0.49 -4.92 105.19 111.62 1lkn n GLY 71 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.14 -4.59 0.99 7.94 -0.35 -3.92 117.00 116.94 1lkn n LEU 72 Ca 0.00 -0.53 -0.42 0.00 -1.11 0.00 0.00 56.01 53.96 1lkn n LEU 72 Cb 0.00 -0.92 -0.06 0.00 0.53 0.00 0.00 43.42 42.97 1lkn n LEU 72 CO 0.00 -1.48 0.45 -0.60 -1.11 0.00 0.00 177.39 174.65 1lkn s ARG 73 N 7.95 3.79 0.10 1.96 3.52 -1.26 -2.24 118.95 132.77 1lkn s ARG 73 Ca 1.23 0.23 -0.13 0.00 -0.13 0.00 0.00 55.73 56.93 1lkn s ARG 73 Cb -0.77 -3.78 0.02 0.00 -1.56 0.00 0.00 34.95 28.86 1lkn s ARG 73 CO 0.44 -0.70 0.32 0.00 -0.81 0.00 0.00 175.30 174.55 1lkn s ARG 75 N -3.69 4.19 0.06 0.00 3.00 -1.02 -2.86 118.95 118.63 1lkn s ARG 75 Ca 0.03 0.47 0.02 0.00 -1.00 0.00 0.00 55.73 55.25 1lkn s ARG 75 Cb 0.03 -3.34 -0.04 0.00 0.00 0.00 0.00 34.95 31.59 1lkn s ARG 75 CO -0.11 0.39 0.08 -1.58 0.00 0.00 0.00 175.30 174.07 1lkn s TRP 76 N -0.13 3.20 -0.16 5.12 0.52 0.38 -3.09 118.94 124.78 1lkn s TRP 76 Ca 0.25 0.10 -0.06 0.00 0.02 0.00 0.00 56.10 56.41 1lkn s TRP 76 Cb -0.16 -1.64 0.07 0.00 -1.15 0.00 0.00 33.47 30.59 1lkn s TRP 76 CO 0.12 0.52 0.34 -1.59 0.02 0.00 0.00 176.95 176.37 1lkn s LYS 77 N -2.23 0.25 -0.21 4.98 -2.85 -1.23 -0.05 119.74 118.39 1lkn s LYS 77 Ca 0.28 0.85 -0.08 0.00 -1.00 0.00 0.00 55.97 56.02 1lkn s LYS 77 Cb -0.12 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.72 1lkn s LYS 77 CO 0.20 -0.25 0.09 0.08 0.10 0.00 0.00 175.35 175.58 1lkn s VAL 78 N 2.30 4.88 -0.10 1.79 1.01 0.23 -1.87 120.40 128.64 1lkn s VAL 78 Ca -0.02 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.03 1lkn s VAL 78 Cb -0.11 -3.24 -0.24 0.00 0.00 0.00 0.00 36.38 32.79 1lkn s VAL 78 CO -0.11 0.40 0.46 0.18 0.00 0.00 0.00 175.10 176.03 1lkn n LEU 79 N 4.05 1.47 -4.01 3.92 4.32 0.28 -3.29 117.00 123.74 1lkn n LEU 79 Ca -0.16 0.28 -0.14 0.00 -0.02 0.00 0.00 56.01 55.97 1lkn n LEU 79 Cb 0.52 -0.27 -0.13 0.00 -1.62 0.00 0.00 43.42 41.93 1lkn n LEU 79 CO 0.34 0.58 -0.40 -1.61 -1.22 0.00 0.00 177.39 175.09 1lkn s GLU 80 N -2.57 0.45 -0.38 3.23 0.41 -1.25 -4.76 118.70 113.83 1lkn s GLU 80 Ca -0.13 -0.49 -0.35 0.00 -0.41 0.00 0.00 54.97 53.59 1lkn s GLU 80 Cb 0.07 -0.29 -0.15 0.00 -1.78 0.00 0.00 34.13 31.98 1lkn s GLU 80 CO 0.80 0.06 1.27 -2.30 -0.49 0.00 0.00 175.26 174.60 1lkn n PRO 81 N 2.13 0.00 -4.07 0.39 -0.02 -1.26 -3.38 135.00 128.78 1lkn n PRO 81 Ca -0.18 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.94 1lkn n PRO 81 Cb 0.56 -1.13 -0.09 0.00 -0.02 0.00 0.00 33.50 32.83 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 2.61 4.87 -0.18 -1.45 0.11 0.06 -3.65 120.40 122.77 1lkn s VAL 82 Ca 0.81 -0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 59.80 1lkn s VAL 82 Cb -1.13 -3.13 0.06 0.00 -1.53 0.00 0.00 36.38 30.65 1lkn s VAL 82 CO 0.60 0.55 0.05 -0.13 -3.33 0.00 0.00 175.10 172.84 1lkn s ARG 83 N -0.39 0.46 0.13 1.54 1.81 -1.04 -1.19 118.95 120.27 1lkn s ARG 83 Ca 0.09 -0.28 0.05 0.00 -1.72 0.00 0.00 55.73 53.88 1lkn s ARG 83 Cb -0.12 -1.93 -0.04 0.00 -0.45 0.00 0.00 34.95 32.41 1lkn s ARG 83 CO 0.02 -0.62 -0.11 -1.59 -0.68 0.00 0.00 175.30 172.31 1lkn s LYS 84 N 1.95 1.01 0.35 3.54 -2.85 -1.13 0.44 119.74 123.05 1lkn s LYS 84 Ca 0.00 -1.33 0.04 0.00 -1.00 0.00 0.00 55.97 53.69 1lkn s LYS 84 Cb -0.16 -0.68 -0.01 0.00 -2.06 0.00 0.00 37.83 34.91 1lkn s LYS 84 CO -0.08 0.10 0.51 -1.01 0.10 0.00 0.00 175.35 174.97 1lkn s HIS 85 N -2.80 3.23 0.29 1.78 3.76 0.28 -2.10 115.29 119.72 1lkn s HIS 85 Ca 0.12 -0.03 0.11 0.00 -0.15 0.00 0.00 55.06 55.11 1lkn s HIS 85 Cb -0.01 -2.00 -0.05 0.00 1.11 0.00 0.00 32.58 31.64 1lkn s HIS 85 CO 0.01 -0.01 -0.13 0.71 -0.85 0.00 0.00 174.74 174.47 1lkn s TYR 86 N -2.25 2.40 -0.41 1.40 2.02 -1.25 -0.90 117.35 118.36 1lkn s TYR 86 Ca 0.44 -0.34 0.09 0.00 -0.37 0.00 0.00 57.07 56.88 1lkn s TYR 86 Cb -0.10 -1.12 0.37 0.00 -0.40 0.00 0.00 41.96 40.71 1lkn s TYR 86 CO 0.33 0.66 1.21 -1.71 -1.57 0.00 0.00 175.55 174.47 1lkn n ASN 87 N -0.72 -1.69 -4.83 2.29 5.15 0.26 -4.64 115.26 111.08 1lkn n ASN 87 Ca -0.05 -2.97 -0.35 0.00 -0.60 0.00 0.00 54.58 50.62 1lkn n ASN 87 Cb 0.60 1.16 -0.06 0.00 -0.53 0.00 0.00 39.78 40.95 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 -2.81 4.23 0.00 1.20 1.43 -1.26 -3.25 118.68 118.22 1lkn s LEU 88 Ca 0.23 1.37 0.07 0.00 -1.03 0.00 0.00 54.13 54.77 1lkn s LEU 88 Cb 0.36 -3.78 0.06 0.00 0.03 0.00 0.00 46.19 42.86 1lkn s LEU 88 CO -0.07 -0.06 0.74 0.49 0.23 0.00 0.00 176.35 177.68