#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 0.34 -2.61 2.12 0.28 -1.26 -5.02 120.64 114.49 1lkn n GLU 2 Ca 0.00 -0.33 -0.42 0.00 -0.16 0.00 0.00 57.16 56.25 1lkn n GLU 2 Cb 0.00 0.15 -0.03 0.00 1.43 0.00 0.00 31.44 33.00 1lkn n GLU 2 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1lkn s VAL 3 N 0.03 4.61 0.09 3.84 1.01 -1.25 -4.55 120.40 124.19 1lkn s VAL 3 Ca 0.02 1.89 0.05 0.00 0.00 0.00 0.00 61.98 63.95 1lkn s VAL 3 Cb 0.11 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1lkn s VAL 3 CO -0.03 -0.02 -0.13 -1.59 0.00 0.00 0.00 175.10 173.33 1lkn s LYS 4 N 2.23 0.89 -0.21 2.72 0.00 -1.26 -4.93 119.74 119.19 1lkn s LYS 4 Ca 0.50 -1.09 -0.00 0.00 0.00 0.00 0.00 55.97 55.38 1lkn s LYS 4 Cb -0.20 -0.79 0.02 0.00 0.00 0.00 0.00 37.83 36.86 1lkn s LYS 4 CO 0.18 0.16 -0.13 0.42 0.00 0.00 0.00 175.35 175.97 1lkn s ILE 5 N -1.81 2.47 0.02 3.79 -1.09 -1.26 -3.82 121.20 119.50 1lkn s ILE 5 Ca 0.03 -0.96 -0.08 0.00 -2.23 0.00 0.00 60.65 57.40 1lkn s ILE 5 Cb -0.07 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.66 1lkn s ILE 5 CO 0.02 0.38 0.17 -1.61 -1.23 0.00 0.00 174.94 172.66 1lkn s GLU 6 N 1.31 0.57 -0.48 2.79 2.02 -1.14 -5.01 118.70 118.75 1lkn s GLU 6 Ca 0.02 -0.49 -0.05 0.00 0.02 0.00 0.00 54.97 54.47 1lkn s GLU 6 Cb -0.15 0.24 0.13 0.00 0.10 0.00 0.00 34.13 34.45 1lkn s GLU 6 CO -0.09 -0.15 0.31 0.15 0.02 0.00 0.00 175.26 175.51 1lkn s LYS 7 N -1.86 2.30 0.03 1.61 1.02 -1.26 -1.91 119.74 119.67 1lkn s LYS 7 Ca -0.11 -1.95 -0.35 0.00 0.02 0.00 0.00 55.97 53.58 1lkn s LYS 7 Cb -0.05 -3.75 -0.14 0.00 -0.52 0.00 0.00 37.83 33.38 1lkn s LYS 7 CO -0.00 -1.14 1.66 -0.35 -0.92 0.00 0.00 175.35 174.59 1lkn n PRO 8 N 4.47 1.92 -3.18 -1.68 -0.04 -1.26 -4.97 135.00 130.27 1lkn n PRO 8 Ca -0.02 0.70 -0.29 0.00 -0.04 0.00 0.00 63.50 63.85 1lkn n PRO 8 Cb 0.41 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 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 2.11 4.96 0.57 0.52 -1.32 -1.26 -4.76 115.64 116.46 1lkn s THR 9 Ca 0.86 0.20 0.46 0.00 -1.21 0.00 0.00 61.69 62.00 1lkn s THR 9 Cb -0.76 -3.74 0.68 0.00 -1.51 0.00 0.00 72.50 67.17 1lkn s THR 9 CO 0.46 -0.41 1.53 1.55 -2.21 0.00 0.00 174.62 175.54 1lkn h PRO 10 N 1.47 0.00 -0.05 7.08 0.13 -1.97 1.01 132.00 139.67 1lkn h PRO 10 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 1lkn h PRO 10 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1lkn h PRO 10 CO 0.65 0.00 -0.39 0.93 -0.23 0.00 0.00 178.00 178.96 1lkn h GLU 11 N 0.00 0.34 0.00 0.86 5.08 -2.01 -3.08 114.58 115.77 1lkn h GLU 11 Ca 0.85 -0.31 -0.16 0.00 -1.00 0.00 0.00 59.36 58.75 1lkn h GLU 11 Cb 3.61 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 32.91 1lkn h GLU 11 CO -0.01 0.97 -0.75 0.87 -1.00 0.00 0.00 179.01 179.09 1lkn h LYS 12 N -0.17 0.00 -0.20 2.33 1.57 0.39 -3.16 116.57 117.33 1lkn h LYS 12 Ca -0.04 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1lkn h LYS 12 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1lkn h LYS 12 CO 0.08 0.75 0.13 -0.07 -0.57 0.00 0.00 179.45 179.77 1lkn h LEU 13 N 0.00 0.17 -0.09 2.94 3.38 -0.03 -1.28 115.31 120.39 1lkn h LEU 13 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1lkn h LEU 13 Cb 1.36 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1lkn h LEU 13 CO 0.10 0.12 0.06 0.11 0.09 0.00 0.00 178.44 178.91 1lkn h LYS 14 N 0.20 0.11 -0.01 1.13 1.57 -1.49 1.21 116.57 119.28 1lkn h LYS 14 Ca 0.08 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.64 1lkn h LYS 14 Cb 0.07 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.37 1lkn h LYS 14 CO -0.01 0.08 -0.80 0.93 -0.57 0.00 0.00 179.45 179.07 1lkn h GLU 15 N 0.12 0.57 -0.69 3.15 4.39 -1.64 -3.19 114.58 117.28 1lkn h GLU 15 Ca 0.03 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.14 1lkn h GLU 15 Cb -0.01 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1lkn h GLU 15 CO -0.01 1.21 0.00 1.47 -1.16 0.00 0.00 179.01 180.52 1lkn n LEU 16 N -4.05 3.30 -1.39 1.33 -0.00 -0.51 -4.96 117.00 110.72 1lkn n LEU 16 Ca -0.10 -1.67 -0.07 0.00 -0.00 0.00 0.00 56.01 54.17 1lkn n LEU 16 Cb 0.76 -0.53 -0.07 0.00 -0.00 0.00 0.00 43.42 43.59 1lkn n LEU 16 CO 0.51 0.48 0.63 -1.20 -0.00 0.00 0.00 177.39 177.81 1lkn n SER 17 N 0.43 -0.47 0.26 1.45 7.64 0.41 -4.70 113.62 118.64 1lkn n SER 17 Ca 0.15 -0.18 0.11 0.00 1.01 0.00 0.00 58.87 59.96 1lkn n SER 17 Cb 0.68 -0.17 0.68 0.00 -1.01 0.00 0.00 64.21 64.40 1lkn n SER 17 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1lkn h VAL 18 N 2.18 0.67 -1.26 0.44 2.07 -1.93 -2.90 116.25 115.51 1lkn h VAL 18 Ca 0.01 -0.56 0.39 0.00 0.82 0.00 0.00 66.70 67.36 1lkn h VAL 18 Cb 0.35 1.35 -0.11 0.00 -1.52 0.00 0.00 31.29 31.35 1lkn h VAL 18 CO 0.50 0.13 0.82 1.05 0.02 0.00 0.00 177.57 180.09 1lkn h GLU 19 N 0.00 0.15 -0.00 1.57 4.11 -1.91 1.26 114.58 119.76 1lkn h GLU 19 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1lkn h GLU 19 Cb 0.34 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1lkn h GLU 19 CO 0.02 0.10 -0.12 1.63 0.07 0.00 0.00 179.01 180.71 1lkn n LYS 20 N -4.64 0.63 -3.37 1.06 5.02 -1.10 -4.87 118.16 110.90 1lkn n LYS 20 Ca 0.34 -0.22 -0.35 0.00 -2.02 0.00 0.00 58.31 56.06 1lkn n LYS 20 Cb 1.29 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.75 1lkn n LYS 20 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1lkn s TRP 21 N -2.52 3.60 0.17 2.13 0.52 0.43 -5.08 118.94 118.21 1lkn s TRP 21 Ca 0.27 1.04 -0.02 0.00 0.02 0.00 0.00 56.10 57.41 1lkn s TRP 21 Cb 0.20 -2.36 0.04 0.00 -1.15 0.00 0.00 33.47 30.20 1lkn s TRP 21 CO 0.49 0.43 0.08 -0.35 0.02 0.00 0.00 176.95 177.62 1lkn n PRO 22 N 0.81 -0.76 -3.98 4.98 -0.04 -1.26 -4.75 135.00 130.00 1lkn n PRO 22 Ca -0.05 -0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.16 1lkn n PRO 22 Cb 0.52 -0.24 -0.11 0.00 -0.04 0.00 0.00 33.50 33.62 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 -0.84 0.15 0.33 0.52 -1.09 -1.26 -4.02 121.20 114.98 1lkn s ILE 23 Ca 0.07 -0.80 0.08 0.00 -2.23 0.00 0.00 60.65 57.76 1lkn s ILE 23 Cb -0.01 -0.27 -0.06 0.00 -1.58 0.00 0.00 42.46 40.54 1lkn s ILE 23 CO 0.05 -0.41 -0.07 0.86 -1.23 0.00 0.00 174.94 174.14 1lkn s TRP 24 N -1.25 2.27 -0.16 3.97 -0.00 0.14 -4.94 118.94 118.97 1lkn s TRP 24 Ca -0.13 -0.59 -0.10 0.00 -0.00 0.00 0.00 56.10 55.28 1lkn s TRP 24 Cb -0.09 -1.34 0.05 0.00 -0.00 0.00 0.00 33.47 32.10 1lkn s TRP 24 CO -0.01 0.46 0.39 -1.21 -0.00 0.00 0.00 176.95 176.59 1lkn s GLU 25 N -3.66 0.39 -0.24 5.86 2.02 -1.25 -2.91 118.70 118.89 1lkn s GLU 25 Ca 0.32 0.73 -0.11 0.00 0.02 0.00 0.00 54.97 55.93 1lkn s GLU 25 Cb 0.04 0.01 0.09 0.00 0.10 0.00 0.00 34.13 34.37 1lkn s GLU 25 CO 0.15 -0.14 0.56 0.21 0.02 0.00 0.00 175.26 176.06 1lkn s LYS 26 N 1.19 0.52 -0.41 1.61 2.47 -0.21 -4.98 119.74 119.93 1lkn s LYS 26 Ca -0.08 1.16 -0.19 0.00 -1.56 0.00 0.00 55.97 55.31 1lkn s LYS 26 Cb -0.08 0.37 0.02 0.00 -1.46 0.00 0.00 37.83 36.68 1lkn s LYS 26 CO -0.10 -0.19 0.53 -1.21 0.16 0.00 0.00 175.35 174.54 1lkn s GLU 27 N 2.18 3.28 -0.58 4.03 2.02 -1.26 0.47 118.70 128.84 1lkn s GLU 27 Ca -0.07 -0.48 -0.05 0.00 0.02 0.00 0.00 54.97 54.39 1lkn s GLU 27 Cb -0.09 -3.93 0.05 0.00 0.10 0.00 0.00 34.13 30.26 1lkn s GLU 27 CO -0.17 -0.87 0.13 0.28 0.02 0.00 0.00 175.26 174.66 1lkn n VAL 28 N 5.60 -0.11 -2.45 2.63 0.31 -1.26 -4.86 118.33 118.20 1lkn n VAL 28 Ca -0.05 -0.05 -0.18 0.00 -0.01 0.00 0.00 64.34 64.06 1lkn n VAL 28 Cb 0.48 -0.22 0.09 0.00 -0.91 0.00 0.00 33.84 33.29 1lkn n VAL 28 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1lkn n SER 29 N -0.42 0.93 -3.91 4.52 2.88 -1.23 -4.68 113.62 111.71 1lkn n SER 29 Ca -0.01 -1.81 -0.22 0.00 -1.33 0.00 0.00 58.87 55.50 1lkn n SER 29 Cb 0.17 -0.50 -0.17 0.00 -0.75 0.00 0.00 64.21 62.96 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 -4.48 1.08 0.08 -1.46 2.02 -1.26 0.11 118.70 114.79 1lkn s GLU 30 Ca 0.50 -0.16 0.08 0.00 0.02 0.00 0.00 54.97 55.41 1lkn s GLU 30 Cb -0.03 -1.08 -0.03 0.00 0.10 0.00 0.00 34.13 33.10 1lkn s GLU 30 CO 0.33 -0.11 -0.21 -0.06 0.02 0.00 0.00 175.26 175.23 1lkn s PHE 31 N 1.11 1.78 -0.28 1.61 0.40 0.55 -4.97 117.98 118.19 1lkn s PHE 31 Ca -0.08 -0.40 -0.15 0.00 -0.60 0.00 0.00 56.93 55.71 1lkn s PHE 31 Cb -0.14 -1.01 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 1lkn s PHE 31 CO -0.01 0.16 0.36 0.16 0.70 0.00 0.00 175.22 176.59 1lkn s ASP 32 N -1.62 6.22 -0.09 1.36 -4.77 -1.26 0.38 116.67 116.90 1lkn s ASP 32 Ca 0.07 0.19 0.02 0.00 -3.30 0.00 0.00 52.55 49.53 1lkn s ASP 32 Cb -0.10 -2.20 -0.02 0.00 -1.09 0.00 0.00 42.92 39.51 1lkn s ASP 32 CO 0.03 -0.20 -0.14 0.86 0.70 0.00 0.00 175.17 176.42 1lkn s TRP 33 N 2.05 2.74 -0.16 2.11 -0.00 -0.83 -4.92 118.94 119.92 1lkn s TRP 33 Ca 0.14 -0.41 -0.02 0.00 -0.00 0.00 0.00 56.10 55.81 1lkn s TRP 33 Cb -0.16 -1.73 0.05 0.00 -0.00 0.00 0.00 33.47 31.63 1lkn s TRP 33 CO 0.10 -0.02 0.00 -0.47 -0.00 0.00 0.00 176.95 176.57 1lkn s TYR 34 N -0.19 1.18 0.26 5.86 5.04 -1.26 -2.36 117.35 125.87 1lkn s TYR 34 Ca 0.00 -0.80 -0.29 0.00 -2.44 0.00 0.00 57.07 53.53 1lkn s TYR 34 Cb -0.13 -1.07 -0.09 0.00 0.35 0.00 0.00 41.96 41.01 1lkn s TYR 34 CO 0.03 -0.56 0.96 -0.47 -1.34 0.00 0.00 175.55 174.18 1lkn s TYR 35 N 1.81 3.90 0.00 4.97 5.04 0.43 -4.93 117.35 128.56 1lkn s TYR 35 Ca 0.01 1.87 0.00 0.00 -2.44 0.00 0.00 57.07 56.51 1lkn s TYR 35 Cb -0.16 -3.01 0.00 0.00 0.35 0.00 0.00 41.96 39.14 1lkn s TYR 35 CO -0.07 0.29 0.70 -3.47 -1.34 0.00 0.00 175.55 171.66 1lkn n ASP 36 N 1.33 -0.00 -3.64 4.32 2.03 -1.26 -1.84 116.55 117.48 1lkn n ASP 36 Ca -0.01 -1.39 -0.04 0.00 0.52 0.00 0.00 54.79 53.86 1lkn n ASP 36 Cb 0.47 -0.07 -0.07 0.00 -0.72 0.00 0.00 41.12 40.73 1lkn n ASP 36 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1lkn s THR 37 N 0.00 0.00 -0.45 5.18 2.01 -1.26 -4.84 115.64 116.29 1lkn s THR 37 Ca 0.00 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 1lkn s THR 37 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1lkn s THR 37 CO -0.00 0.00 2.17 0.20 -0.69 0.00 0.00 174.62 176.30 1lkn s ASN 38 N 1.21 4.99 0.19 3.53 -0.87 -1.26 -4.62 114.94 118.11 1lkn s ASN 38 Ca -0.07 1.09 0.03 0.00 -1.57 0.00 0.00 52.86 52.34 1lkn s ASN 38 Cb -0.04 -2.51 -0.05 0.00 -0.02 0.00 0.00 41.25 38.63 1lkn s ASN 38 CO -0.14 -2.45 -0.04 -1.83 -2.57 0.00 0.00 177.10 170.07 1lkn s GLU 39 N 7.31 1.19 -0.01 -0.60 -1.05 -1.26 -3.28 118.70 121.00 1lkn s GLU 39 Ca 0.89 -1.57 0.01 0.00 -0.15 0.00 0.00 54.97 54.15 1lkn s GLU 39 Cb -0.20 -0.54 0.01 0.00 -0.44 0.00 0.00 34.13 32.96 1lkn s GLU 39 CO 0.27 -0.05 -0.03 0.99 0.95 0.00 0.00 175.26 177.40 1lkn s THR 40 N -3.44 0.25 0.12 1.83 2.01 0.26 -3.92 115.64 112.74 1lkn s THR 40 Ca 0.23 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.21 1lkn s THR 40 Cb 0.05 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 1lkn s THR 40 CO 0.05 0.10 -0.15 0.00 -0.69 0.00 0.00 174.62 173.93 1lkn s TYR 42 N -2.01 2.07 0.54 0.00 5.04 -0.67 -3.12 117.35 119.19 1lkn s TYR 42 Ca 0.08 -0.87 -0.18 0.00 -2.44 0.00 0.00 57.07 53.66 1lkn s TYR 42 Cb -0.06 -1.44 -0.06 0.00 0.35 0.00 0.00 41.96 40.76 1lkn s TYR 42 CO 0.03 -0.40 1.06 0.42 -1.34 0.00 0.00 175.55 175.32 1lkn s ILE 43 N 0.62 3.74 0.00 3.14 -1.09 -0.32 0.17 121.20 127.47 1lkn s ILE 43 Ca -0.14 0.96 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1lkn s ILE 43 Cb -0.16 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1lkn s ILE 43 CO 0.04 -0.36 0.00 -0.11 -1.23 0.00 0.00 174.94 173.28 1lkn n LEU 44 N -1.51 2.35 -3.15 2.97 7.94 0.16 -1.29 117.00 124.47 1lkn n LEU 44 Ca 0.09 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 55.04 1lkn n LEU 44 Cb 0.53 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.47 1lkn n LEU 44 CO 0.43 0.39 0.50 -1.83 -1.11 0.00 0.00 177.39 175.78 1lkn s GLU 45 N -1.87 0.23 0.00 1.96 -1.05 -1.14 -4.33 118.70 112.49 1lkn s GLU 45 Ca 0.00 0.33 0.00 0.00 -0.15 0.00 0.00 54.97 55.15 1lkn s GLU 45 Cb 0.00 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.87 1lkn s GLU 45 CO 0.00 -0.31 0.00 0.41 0.95 0.00 0.00 175.26 176.31 1lkn n GLY 46 N 5.36 -0.48 3.07 -3.83 0.00 -1.25 -1.80 105.19 106.27 1lkn n GLY 46 Ca -0.01 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.79 0.20 -0.06 1.61 2.36 -1.25 -2.54 119.74 118.27 1lkn s LYS 47 Ca 0.00 0.79 0.05 0.00 -2.55 0.00 0.00 55.97 54.26 1lkn s LYS 47 Cb 0.00 0.03 -0.01 0.00 -1.05 0.00 0.00 37.83 36.81 1lkn s LYS 47 CO 0.00 -0.26 -0.21 0.08 1.55 0.00 0.00 175.35 176.50 1lkn s VAL 48 N 2.30 1.79 -0.23 4.02 1.01 -1.17 -1.16 120.40 126.95 1lkn s VAL 48 Ca -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1lkn s VAL 48 Cb -0.12 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1lkn s VAL 48 CO -0.10 0.50 0.01 -1.61 0.00 0.00 0.00 175.10 173.91 1lkn s GLU 49 N 0.03 3.49 -0.15 2.72 2.02 -0.97 -3.50 118.70 122.35 1lkn s GLU 49 Ca -0.07 -0.56 -0.07 0.00 0.02 0.00 0.00 54.97 54.29 1lkn s GLU 49 Cb -0.14 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1lkn s GLU 49 CO 0.04 -0.20 0.11 0.08 0.02 0.00 0.00 175.26 175.31 1lkn s VAL 50 N 1.54 5.22 -0.18 2.63 1.01 -0.98 -3.41 120.40 126.24 1lkn s VAL 50 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1lkn s VAL 50 Cb -0.15 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 32.96 1lkn s VAL 50 CO -0.00 0.54 -0.07 -0.89 0.00 0.00 0.00 175.10 174.67 1lkn s THR 51 N -0.35 1.32 0.28 3.92 2.01 -1.14 -1.94 115.64 119.74 1lkn s THR 51 Ca 0.11 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 1lkn s THR 51 Cb -0.12 -1.45 -0.06 0.00 0.01 0.00 0.00 72.50 70.89 1lkn s THR 51 CO 0.01 0.15 0.57 0.42 -0.69 0.00 0.00 174.62 175.09 1lkn s THR 52 N 1.54 4.98 0.20 -0.82 -4.23 -0.97 -1.84 115.64 114.51 1lkn s THR 52 Ca 0.00 0.20 -0.11 0.00 -1.18 0.00 0.00 61.69 60.61 1lkn s THR 52 Cb -0.16 -3.71 0.13 0.00 1.34 0.00 0.00 72.50 70.11 1lkn s THR 52 CO -0.08 -0.28 1.85 -0.33 -0.54 0.00 0.00 174.62 175.24 1lkn h GLU 53 N 1.85 0.82 -0.94 3.99 5.08 -1.87 -1.56 114.58 121.94 1lkn h GLU 53 Ca -0.47 -0.05 0.25 0.00 -1.00 0.00 0.00 59.36 58.09 1lkn h GLU 53 Cb 1.18 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 1lkn h GLU 53 CO 0.67 0.54 0.66 0.22 -1.00 0.00 0.00 179.01 180.10 1lkn h ASP 54 N 0.85 0.16 0.00 1.42 3.58 -1.94 -3.44 116.42 117.04 1lkn h ASP 54 Ca 0.27 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1lkn h ASP 54 Cb -0.00 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1lkn h ASP 54 CO -0.10 0.05 0.00 0.61 -2.88 0.00 0.00 179.24 176.92 1lkn n GLY 55 N -1.64 1.96 3.99 -0.78 0.00 -0.59 -5.14 105.19 103.00 1lkn n GLY 55 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.11 2.47 -0.18 1.61 -0.14 -1.23 -4.94 119.74 117.23 1lkn s LYS 56 Ca 0.00 -1.56 -0.21 0.00 -1.36 0.00 0.00 55.97 52.84 1lkn s LYS 56 Cb 0.00 -2.58 0.06 0.00 -1.68 0.00 0.00 37.83 33.63 1lkn s LYS 56 CO 0.00 -0.59 0.57 0.21 -0.76 0.00 0.00 175.35 174.78 1lkn s LYS 57 N -4.47 0.72 -0.16 1.68 2.20 -1.26 -2.29 119.74 116.16 1lkn s LYS 57 Ca 0.55 0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 56.79 1lkn s LYS 57 Cb -0.06 0.35 0.05 0.00 -1.51 0.00 0.00 37.83 36.65 1lkn s LYS 57 CO 0.34 -0.12 0.01 0.71 -0.36 0.00 0.00 175.35 175.92 1lkn s TYR 58 N -0.02 1.15 -0.25 4.03 2.02 -0.82 -4.98 117.35 118.48 1lkn s TYR 58 Ca -0.03 -0.79 -0.10 0.00 -0.37 0.00 0.00 57.07 55.79 1lkn s TYR 58 Cb -0.04 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.42 1lkn s TYR 58 CO 0.02 -0.56 0.14 0.54 -1.57 0.00 0.00 175.55 174.13 1lkn s VAL 59 N 1.82 5.06 -0.04 0.71 0.11 -1.26 -2.33 120.40 124.47 1lkn s VAL 59 Ca 0.01 0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1lkn s VAL 59 Cb -0.16 -3.37 0.03 0.00 -1.53 0.00 0.00 36.38 31.35 1lkn s VAL 59 CO -0.07 0.33 0.02 0.27 -3.33 0.00 0.00 175.10 172.32 1lkn s ILE 60 N 1.29 0.08 -0.08 7.04 -4.36 -1.23 -4.98 121.20 118.96 1lkn s ILE 60 Ca 0.06 0.20 -0.02 0.00 -0.26 0.00 0.00 60.65 60.64 1lkn s ILE 60 Cb -0.14 -0.24 0.04 0.00 1.25 0.00 0.00 42.46 43.36 1lkn s ILE 60 CO 0.06 0.16 0.04 -0.70 0.24 0.00 0.00 174.94 174.73 1lkn s GLU 61 N 1.44 0.29 -0.05 0.37 2.12 -1.26 -3.06 118.70 118.55 1lkn s GLU 61 Ca -0.04 0.14 -0.04 0.00 0.36 0.00 0.00 54.97 55.39 1lkn s GLU 61 Cb -0.13 -1.01 0.02 0.00 0.26 0.00 0.00 34.13 33.27 1lkn s GLU 61 CO -0.03 -0.39 0.08 1.17 -0.54 0.00 0.00 175.26 175.55 1lkn n LYS 62 N 5.21 -4.76 -0.81 4.30 0.00 -1.05 -4.28 118.16 116.77 1lkn n LYS 62 Ca -0.06 3.49 0.00 0.00 0.00 0.00 0.00 58.31 61.74 1lkn n LYS 62 Cb 0.50 -4.60 0.00 0.00 0.00 0.00 0.00 35.03 30.92 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 1.84 0.73 3.71 3.14 0.00 -0.41 -4.91 105.19 109.30 1lkn n GLY 63 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.70 7.36 0.08 1.61 1.11 -1.26 -4.09 116.67 118.78 1lkn s ASP 64 Ca 0.00 1.64 0.09 0.00 0.18 0.00 0.00 52.55 54.46 1lkn s ASP 64 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 1lkn s ASP 64 CO 0.00 -0.22 -0.22 -1.48 1.18 0.00 0.00 175.17 174.43 1lkn s LEU 65 N 0.83 2.48 0.03 1.23 2.34 -0.80 -1.17 118.68 123.61 1lkn s LEU 65 Ca 0.50 -0.57 0.01 0.00 0.06 0.00 0.00 54.13 54.13 1lkn s LEU 65 Cb -0.21 -1.41 -0.02 0.00 -0.56 0.00 0.00 46.19 43.99 1lkn s LEU 65 CO 0.27 0.22 -0.05 -0.69 -1.06 0.00 0.00 176.35 175.05 1lkn s VAL 66 N -0.99 0.27 0.11 1.48 1.01 -1.18 -2.90 120.40 118.20 1lkn s VAL 66 Ca 0.15 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1lkn s VAL 66 Cb -0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1lkn s VAL 66 CO 0.06 -0.51 0.03 -0.89 0.00 0.00 0.00 175.10 173.79 1lkn s THR 67 N -1.67 4.11 -0.05 3.92 2.01 -1.25 -3.73 115.64 118.98 1lkn s THR 67 Ca -0.12 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 60.82 1lkn s THR 67 Cb -0.08 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.45 1lkn s THR 67 CO -0.01 0.07 0.14 -0.36 -0.69 0.00 0.00 174.62 173.77 1lkn s PHE 68 N -1.42 -0.16 0.20 4.92 0.40 -1.25 -3.79 117.98 116.88 1lkn s PHE 68 Ca 0.27 0.39 -0.23 0.00 -0.60 0.00 0.00 56.93 56.75 1lkn s PHE 68 Cb -0.11 0.04 -0.08 0.00 0.51 0.00 0.00 43.02 43.38 1lkn s PHE 68 CO 0.19 -0.08 0.77 -1.25 0.70 0.00 0.00 175.22 175.55 1lkn s PRO 69 N 0.16 4.46 -0.37 0.24 0.04 -1.26 -4.20 135.00 134.07 1lkn s PRO 69 Ca -0.01 1.07 -0.37 0.00 0.04 0.00 0.00 61.00 61.73 1lkn s PRO 69 Cb -0.02 -3.08 -0.13 0.00 0.04 0.00 0.00 34.50 31.31 1lkn s PRO 69 CO -0.00 0.48 2.17 1.17 0.04 0.00 0.00 177.00 180.86 1lkn n LYS 70 N 1.19 0.90 0.00 4.56 4.81 -1.26 -0.53 118.16 127.83 1lkn n LYS 70 Ca -0.04 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1lkn n LYS 70 Cb 0.50 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.26 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 6.64 1.28 3.49 3.14 0.00 -0.77 -4.88 105.19 114.09 1lkn n GLY 71 Ca 0.43 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.06 -3.86 0.99 -0.00 0.31 -4.38 117.00 110.00 1lkn n LEU 72 Ca 0.00 1.15 -0.28 0.00 -0.00 0.00 0.00 56.01 56.88 1lkn n LEU 72 Cb 0.00 -0.98 -0.16 0.00 -0.00 0.00 0.00 43.42 42.28 1lkn n LEU 72 CO 0.00 -2.07 -0.41 -0.60 -0.00 0.00 0.00 177.39 174.31 1lkn s ARG 73 N -0.28 1.25 0.11 1.96 3.52 -1.26 0.16 118.95 124.41 1lkn s ARG 73 Ca 0.82 -0.50 -0.14 0.00 -0.13 0.00 0.00 55.73 55.78 1lkn s ARG 73 Cb -1.12 -2.01 0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1lkn s ARG 73 CO 0.56 -0.48 0.33 0.00 -0.81 0.00 0.00 175.30 174.90 1lkn s ARG 75 N -3.75 4.19 0.11 0.00 3.00 -0.77 -1.96 118.95 119.77 1lkn s ARG 75 Ca 0.03 -0.11 -0.03 0.00 -1.00 0.00 0.00 55.73 54.63 1lkn s ARG 75 Cb 0.03 -3.45 -0.05 0.00 0.00 0.00 0.00 34.95 31.48 1lkn s ARG 75 CO -0.11 0.21 0.31 -1.58 0.00 0.00 0.00 175.30 174.13 1lkn s TRP 76 N 0.59 3.49 -0.26 5.12 0.52 0.16 -2.87 118.94 125.69 1lkn s TRP 76 Ca 0.11 0.42 -0.04 0.00 0.02 0.00 0.00 56.10 56.61 1lkn s TRP 76 Cb -0.12 -1.89 0.14 0.00 -1.15 0.00 0.00 33.47 30.45 1lkn s TRP 76 CO 0.02 0.50 0.50 -1.59 0.02 0.00 0.00 176.95 176.39 1lkn s LYS 77 N -2.63 0.45 0.07 4.98 -2.85 -1.22 -0.33 119.74 118.22 1lkn s LYS 77 Ca 0.38 0.93 -0.25 0.00 -1.00 0.00 0.00 55.97 56.03 1lkn s LYS 77 Cb -0.12 0.22 -0.06 0.00 -2.06 0.00 0.00 37.83 35.81 1lkn s LYS 77 CO 0.26 -0.49 0.77 0.08 0.10 0.00 0.00 175.35 176.07 1lkn s VAL 78 N 2.72 4.64 -0.20 1.79 1.01 0.30 -2.28 120.40 128.38 1lkn s VAL 78 Ca 0.10 1.65 0.13 0.00 0.00 0.00 0.00 61.98 63.85 1lkn s VAL 78 Cb -0.14 -4.12 -0.23 0.00 0.00 0.00 0.00 36.38 31.89 1lkn s VAL 78 CO -0.17 0.40 0.05 0.18 0.00 0.00 0.00 175.10 175.56 1lkn n LEU 79 N 2.51 0.94 -4.06 3.92 4.32 -0.31 -3.53 117.00 120.78 1lkn n LEU 79 Ca -0.03 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.87 1lkn n LEU 79 Cb 0.50 0.05 -0.11 0.00 -1.62 0.00 0.00 43.42 42.24 1lkn n LEU 79 CO 0.47 0.62 -0.37 -1.61 -1.22 0.00 0.00 177.39 175.27 1lkn s GLU 80 N -2.51 0.53 -0.50 3.23 2.02 -1.25 -4.60 118.70 115.63 1lkn s GLU 80 Ca -0.16 -0.94 -0.44 0.00 0.02 0.00 0.00 54.97 53.44 1lkn s GLU 80 Cb 0.07 -0.00 -0.19 0.00 0.10 0.00 0.00 34.13 34.11 1lkn s GLU 80 CO 0.77 -0.04 2.10 -2.30 0.02 0.00 0.00 175.26 175.80 1lkn n PRO 81 N 0.86 0.00 -4.18 0.39 -0.02 -1.26 -3.92 135.00 126.87 1lkn n PRO 81 Ca -0.19 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.94 1lkn n PRO 81 Cb 0.58 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.47 1lkn n PRO 81 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1lkn s VAL 82 N 5.76 4.74 -0.19 -1.45 1.01 0.18 -3.78 120.40 126.66 1lkn s VAL 82 Ca 1.19 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 63.01 1lkn s VAL 82 Cb -1.50 -3.04 0.06 0.00 0.00 0.00 0.00 36.38 31.89 1lkn s VAL 82 CO 0.67 0.57 0.01 -0.13 0.00 0.00 0.00 175.10 176.22 1lkn s ARG 83 N -1.07 0.85 0.11 2.72 3.00 -0.74 -1.04 118.95 122.77 1lkn s ARG 83 Ca 0.15 -0.49 0.11 0.00 0.00 0.00 0.00 55.73 55.50 1lkn s ARG 83 Cb -0.12 -2.12 -0.04 0.00 0.00 0.00 0.00 34.95 32.68 1lkn s ARG 83 CO 0.05 -0.60 -0.27 0.21 0.00 0.00 0.00 175.30 174.69 1lkn s LYS 84 N 1.78 1.49 0.30 3.54 2.20 -1.15 0.36 119.74 128.27 1lkn s LYS 84 Ca -0.01 -1.30 0.06 0.00 -0.36 0.00 0.00 55.97 54.36 1lkn s LYS 84 Cb -0.17 -1.92 -0.02 0.00 -1.51 0.00 0.00 37.83 34.21 1lkn s LYS 84 CO -0.07 0.46 0.43 -1.01 -0.36 0.00 0.00 175.35 174.79 1lkn s HIS 85 N -1.01 3.23 0.11 4.03 3.76 0.45 0.24 115.29 126.11 1lkn s HIS 85 Ca 0.14 -0.15 0.09 0.00 -0.15 0.00 0.00 55.06 54.99 1lkn s HIS 85 Cb -0.10 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 1lkn s HIS 85 CO 0.05 0.16 -0.24 0.71 -0.85 0.00 0.00 174.74 174.58 1lkn s TYR 86 N -2.11 2.01 -0.46 1.40 2.02 -1.26 -1.68 117.35 117.29 1lkn s TYR 86 Ca 0.41 -0.40 0.06 0.00 -0.37 0.00 0.00 57.07 56.77 1lkn s TYR 86 Cb -0.09 -1.10 0.22 0.00 -0.40 0.00 0.00 41.96 40.59 1lkn s TYR 86 CO 0.30 0.26 0.67 -1.71 -1.57 0.00 0.00 175.55 173.50 1lkn n ASN 87 N 1.04 -1.77 -4.81 2.29 4.05 0.46 -4.58 115.26 111.94 1lkn n ASN 87 Ca -0.19 -2.92 -0.32 0.00 0.45 0.00 0.00 54.58 51.60 1lkn n ASN 87 Cb 0.53 0.75 -0.06 0.00 1.23 0.00 0.00 39.78 42.23 1lkn n ASN 87 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1lkn s LEU 88 N -0.42 3.99 0.00 1.20 2.01 -1.26 0.89 118.68 125.09 1lkn s LEU 88 Ca 0.33 0.16 0.00 0.00 0.01 0.00 0.00 54.13 54.62 1lkn s LEU 88 Cb 0.14 -2.41 0.00 0.00 0.01 0.00 0.00 46.19 43.93 1lkn s LEU 88 CO -0.16 0.25 0.00 2.22 1.01 0.00 0.00 176.35 179.66