#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 2.85 -3.64 0.03 2.13 -1.26 -5.04 120.64 115.71 1lkn n GLU 2 Ca 0.00 -4.35 -0.38 0.00 0.66 0.00 0.00 57.16 53.09 1lkn n GLU 2 Cb 0.00 -2.06 -0.12 0.00 0.27 0.00 0.00 31.44 29.53 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 -4.63 4.79 0.04 6.31 1.01 -1.25 -3.96 120.40 122.71 1lkn s VAL 3 Ca 0.45 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.30 1lkn s VAL 3 Cb 0.37 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1lkn s VAL 3 CO -0.13 0.15 -0.26 -1.59 0.00 0.00 0.00 175.10 173.27 1lkn s LYS 4 N 1.66 1.83 -0.22 2.72 0.00 -1.26 -4.92 119.74 119.54 1lkn s LYS 4 Ca 0.06 -1.10 -0.02 0.00 0.00 0.00 0.00 55.97 54.91 1lkn s LYS 4 Cb -0.16 -1.99 0.01 0.00 0.00 0.00 0.00 37.83 35.68 1lkn s LYS 4 CO 0.07 0.52 -0.09 0.42 0.00 0.00 0.00 175.35 176.27 1lkn s ILE 5 N -0.80 2.88 -0.00 3.79 -1.09 -1.26 -3.74 121.20 120.97 1lkn s ILE 5 Ca 0.12 -0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 57.58 1lkn s ILE 5 Cb -0.10 -2.35 0.03 0.00 -1.58 0.00 0.00 42.46 38.45 1lkn s ILE 5 CO 0.02 0.36 0.33 -0.70 -1.23 0.00 0.00 174.94 173.72 1lkn s GLU 6 N 1.38 0.73 -0.42 2.79 2.12 -1.21 -5.03 118.70 119.05 1lkn s GLU 6 Ca 0.03 -0.24 -0.02 0.00 0.36 0.00 0.00 54.97 55.10 1lkn s GLU 6 Cb -0.15 0.32 0.11 0.00 0.26 0.00 0.00 34.13 34.68 1lkn s GLU 6 CO -0.06 -0.21 0.21 0.15 -0.54 0.00 0.00 175.26 174.81 1lkn s LYS 7 N -1.63 2.00 0.22 4.30 1.02 -1.26 -1.20 119.74 123.19 1lkn s LYS 7 Ca -0.11 -1.90 -0.31 0.00 0.02 0.00 0.00 55.97 53.66 1lkn s LYS 7 Cb -0.04 -3.55 -0.14 0.00 -0.52 0.00 0.00 37.83 33.58 1lkn s LYS 7 CO 0.03 -1.07 1.29 -2.30 -0.92 0.00 0.00 175.35 172.38 1lkn n PRO 8 N 4.44 1.70 -3.16 -1.68 -0.02 -1.25 -4.98 135.00 130.05 1lkn n PRO 8 Ca -0.01 0.60 -0.29 0.00 -2.02 0.00 0.00 63.50 61.79 1lkn n PRO 8 Cb 0.41 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 1lkn n PRO 8 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1lkn s THR 9 N -0.21 4.94 0.57 3.45 -1.32 -1.26 -4.76 115.64 117.04 1lkn s THR 9 Ca 0.69 0.25 0.46 0.00 -1.21 0.00 0.00 61.69 61.87 1lkn s THR 9 Cb -0.72 -3.74 0.67 0.00 -1.51 0.00 0.00 72.50 67.20 1lkn s THR 9 CO 0.52 -0.41 1.53 1.55 -2.21 0.00 0.00 174.62 175.60 1lkn h PRO 10 N 1.49 0.00 -0.01 7.08 0.13 -1.98 1.19 132.00 139.90 1lkn h PRO 10 Ca -0.47 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.41 1lkn h PRO 10 Cb 1.19 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.34 1lkn h PRO 10 CO 0.65 0.00 -0.95 0.93 -0.23 0.00 0.00 178.00 178.40 1lkn h GLU 11 N 0.00 0.66 0.00 0.86 4.39 -2.01 -3.04 114.58 115.45 1lkn h GLU 11 Ca 0.84 -0.70 -0.26 0.00 0.34 0.00 0.00 59.36 59.58 1lkn h GLU 11 Cb 3.56 0.20 0.02 0.00 -0.10 0.00 0.00 28.75 32.43 1lkn h GLU 11 CO -0.01 1.29 -1.01 -0.22 -1.16 0.00 0.00 179.01 177.90 1lkn h LYS 12 N 0.32 0.68 -0.14 2.33 3.64 0.95 -3.23 116.57 121.11 1lkn h LYS 12 Ca -0.12 -0.73 0.04 0.00 -1.27 0.00 0.00 60.65 58.57 1lkn h LYS 12 Cb 1.62 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.64 1lkn h LYS 12 CO 0.19 1.31 0.10 -0.07 -2.27 0.00 0.00 179.45 178.71 1lkn h LEU 13 N 0.34 0.01 -0.33 5.20 3.38 -0.89 -0.11 115.31 122.92 1lkn h LEU 13 Ca -0.13 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.91 1lkn h LEU 13 Cb 1.67 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.36 1lkn h LEU 13 CO 0.20 0.01 -0.08 0.11 0.09 0.00 0.00 178.44 178.76 1lkn h LYS 14 N 0.01 -0.00 0.00 1.13 1.57 -1.55 1.18 116.57 118.91 1lkn h LYS 14 Ca 0.07 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1lkn h LYS 14 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1lkn h LYS 14 CO -0.00 -0.00 -0.46 0.93 -0.57 0.00 0.00 179.45 179.35 1lkn h GLU 15 N -0.00 0.00 -0.57 3.15 5.08 -1.58 -3.14 114.58 117.51 1lkn h GLU 15 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1lkn h GLU 15 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1lkn h GLU 15 CO -0.34 0.44 0.00 1.28 -1.00 0.00 0.00 179.01 179.39 1lkn n LEU 16 N -3.20 2.90 -2.10 1.33 4.32 -0.10 -4.95 117.00 115.19 1lkn n LEU 16 Ca 0.02 -1.46 -0.09 0.00 -0.02 0.00 0.00 56.01 54.46 1lkn n LEU 16 Cb 0.71 -0.43 -0.09 0.00 -1.62 0.00 0.00 43.42 41.99 1lkn n LEU 16 CO 0.40 0.52 0.90 -1.20 -1.22 0.00 0.00 177.39 176.79 1lkn n SER 17 N 0.57 -0.75 0.28 -1.43 7.64 0.39 -4.69 113.62 115.63 1lkn n SER 17 Ca 0.15 -0.33 0.17 0.00 1.01 0.00 0.00 58.87 59.87 1lkn n SER 17 Cb 0.55 -0.26 0.78 0.00 -1.01 0.00 0.00 64.21 64.27 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 3.33 0.16 -1.02 0.44 -1.51 -1.93 -2.89 116.25 112.83 1lkn h VAL 18 Ca 0.02 -0.48 0.24 0.00 -1.23 0.00 0.00 66.70 65.25 1lkn h VAL 18 Cb 0.53 1.41 -0.10 0.00 -2.13 0.00 0.00 31.29 30.99 1lkn h VAL 18 CO 0.72 0.04 0.64 1.05 -1.23 0.00 0.00 177.57 178.80 1lkn h GLU 19 N 0.00 0.47 0.00 5.19 4.11 -1.94 0.90 114.58 123.31 1lkn h GLU 19 Ca -0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 1lkn h GLU 19 Cb 0.40 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1lkn h GLU 19 CO 0.01 0.31 -0.01 0.87 0.07 0.00 0.00 179.01 180.26 1lkn h LYS 20 N 0.49 0.00 -6.64 1.06 1.57 -1.89 -3.44 116.57 107.72 1lkn h LYS 20 Ca 0.59 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.86 1lkn h LYS 20 Cb 1.33 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 1lkn h LYS 20 CO -0.33 0.01 0.04 -1.58 -0.57 0.00 0.00 179.45 177.02 1lkn s TRP 21 N -3.53 3.39 0.49 -1.35 0.51 0.31 -5.07 118.94 113.70 1lkn s TRP 21 Ca 0.03 1.13 -0.06 0.00 -2.12 0.00 0.00 56.10 55.07 1lkn s TRP 21 Cb 0.08 -2.46 0.10 0.00 -0.81 0.00 0.00 33.47 30.38 1lkn s TRP 21 CO 0.58 0.15 0.23 -0.35 -0.51 0.00 0.00 176.95 177.05 1lkn n PRO 22 N -0.27 -1.00 -3.98 4.98 -0.04 -1.26 -4.78 135.00 128.64 1lkn n PRO 22 Ca 0.02 -0.38 -0.11 0.00 -0.04 0.00 0.00 63.50 63.00 1lkn n PRO 22 Cb 0.53 -0.70 -0.12 0.00 -0.04 0.00 0.00 33.50 33.17 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 -1.25 0.18 0.12 0.52 1.09 -1.26 -4.07 121.20 116.54 1lkn s ILE 23 Ca 0.18 -0.71 0.09 0.00 -1.10 0.00 0.00 60.65 59.10 1lkn s ILE 23 Cb -0.03 -0.28 -0.04 0.00 -1.06 0.00 0.00 42.46 41.05 1lkn s ILE 23 CO 0.15 -0.34 -0.22 0.86 -0.10 0.00 0.00 174.94 175.28 1lkn s TRP 24 N -1.07 1.96 -0.04 3.97 -0.00 -0.30 -4.99 118.94 118.47 1lkn s TRP 24 Ca -0.11 -0.41 0.01 0.00 -0.00 0.00 0.00 56.10 55.59 1lkn s TRP 24 Cb -0.07 -1.05 0.02 0.00 -0.00 0.00 0.00 33.47 32.37 1lkn s TRP 24 CO -0.00 0.27 -0.04 -1.83 -0.00 0.00 0.00 176.95 175.35 1lkn s GLU 25 N -2.09 0.74 -0.19 5.86 -1.05 -1.26 -2.81 118.70 117.90 1lkn s GLU 25 Ca 0.10 -0.07 -0.05 0.00 -0.15 0.00 0.00 54.97 54.81 1lkn s GLU 25 Cb -0.09 -0.80 0.09 0.00 -0.44 0.00 0.00 34.13 32.89 1lkn s GLU 25 CO 0.05 -0.10 0.34 0.21 0.95 0.00 0.00 175.26 176.70 1lkn s LYS 26 N 1.00 0.26 0.77 -4.83 2.47 0.14 -4.99 119.74 114.56 1lkn s LYS 26 Ca -0.10 0.72 -0.11 0.00 -1.56 0.00 0.00 55.97 54.92 1lkn s LYS 26 Cb -0.14 -0.18 0.05 0.00 -1.46 0.00 0.00 37.83 36.10 1lkn s LYS 26 CO -0.01 -0.41 1.08 -1.83 0.16 0.00 0.00 175.35 174.34 1lkn s GLU 27 N 2.50 2.34 0.00 4.03 4.04 -1.26 0.63 118.70 130.98 1lkn s GLU 27 Ca 0.04 0.99 0.00 0.00 0.04 0.00 0.00 54.97 56.04 1lkn s GLU 27 Cb -0.13 -1.92 0.00 0.00 0.02 0.00 0.00 34.13 32.10 1lkn s GLU 27 CO -0.12 -1.53 0.43 0.28 -1.84 0.00 0.00 175.26 172.48 1lkn n VAL 28 N -3.43 0.00 -1.45 1.83 0.31 -1.26 -4.77 118.33 109.57 1lkn n VAL 28 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1lkn n VAL 28 Cb 0.54 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 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 3.50 0.00 -3.67 4.52 2.88 -1.23 -4.88 113.62 114.74 1lkn n SER 29 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1lkn n SER 29 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 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 2.43 0.40 0.08 -1.46 2.02 -1.26 -2.76 118.70 118.15 1lkn s GLU 30 Ca 0.00 1.00 0.07 0.00 0.02 0.00 0.00 54.97 56.06 1lkn s GLU 30 Cb 0.00 0.23 -0.03 0.00 0.10 0.00 0.00 34.13 34.43 1lkn s GLU 30 CO 0.00 -0.20 -0.18 -0.06 0.02 0.00 0.00 175.26 174.83 1lkn s PHE 31 N 2.11 1.57 -0.26 1.61 0.40 0.16 -5.01 117.98 118.57 1lkn s PHE 31 Ca -0.06 -0.42 -0.21 0.00 -0.60 0.00 0.00 56.93 55.65 1lkn s PHE 31 Cb -0.10 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.53 1lkn s PHE 31 CO -0.14 0.13 0.65 0.34 0.70 0.00 0.00 175.22 176.90 1lkn s ASP 32 N -1.67 6.59 -0.12 1.36 2.15 -1.26 -0.49 116.67 123.23 1lkn s ASP 32 Ca 0.04 0.71 0.01 0.00 0.43 0.00 0.00 52.55 53.73 1lkn s ASP 32 Cb -0.10 -2.34 -0.01 0.00 -0.30 0.00 0.00 42.92 40.16 1lkn s ASP 32 CO 0.03 -0.39 -0.14 0.86 -0.17 0.00 0.00 175.17 175.36 1lkn s TRP 33 N 2.55 2.78 -0.20 -5.34 -0.00 -0.54 -4.92 118.94 113.27 1lkn s TRP 33 Ca 0.27 -0.62 0.00 0.00 -0.00 0.00 0.00 56.10 55.75 1lkn s TRP 33 Cb -0.15 -1.81 0.05 0.00 -0.00 0.00 0.00 33.47 31.55 1lkn s TRP 33 CO 0.09 -0.18 -0.08 -0.47 -0.00 0.00 0.00 176.95 176.31 1lkn s TYR 34 N 0.23 2.22 0.24 5.86 5.04 -1.26 -1.19 117.35 128.49 1lkn s TYR 34 Ca -0.09 -1.49 -0.30 0.00 -2.44 0.00 0.00 57.07 52.76 1lkn s TYR 34 Cb -0.15 -1.54 -0.09 0.00 0.35 0.00 0.00 41.96 40.52 1lkn s TYR 34 CO 0.05 -0.72 1.23 -0.47 -1.34 0.00 0.00 175.55 174.30 1lkn s TYR 35 N 1.46 3.34 0.00 4.97 5.04 0.46 -4.91 117.35 127.71 1lkn s TYR 35 Ca -0.02 1.44 0.02 0.00 -2.44 0.00 0.00 57.07 56.07 1lkn s TYR 35 Cb -0.16 -3.49 0.03 0.00 0.35 0.00 0.00 41.96 38.68 1lkn s TYR 35 CO -0.08 -1.36 0.79 -3.47 -1.34 0.00 0.00 175.55 170.10 1lkn n ASP 36 N 1.84 -0.00 -3.64 4.32 -0.08 -1.26 -1.50 116.55 116.23 1lkn n ASP 36 Ca 0.02 -1.57 -0.06 0.00 -1.51 0.00 0.00 54.79 51.68 1lkn n ASP 36 Cb 0.44 -0.08 -0.07 0.00 2.34 0.00 0.00 41.12 43.74 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 0.00 0.00 -0.70 5.18 2.01 -1.26 -4.85 115.64 116.02 1lkn s THR 37 Ca 0.02 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.76 1lkn s THR 37 Cb 0.03 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 1lkn s THR 37 CO -0.01 0.00 1.88 0.20 -0.69 0.00 0.00 174.62 176.00 1lkn s ASN 38 N 0.80 5.25 0.20 3.53 0.02 -1.26 -4.60 114.94 118.87 1lkn s ASN 38 Ca -0.03 0.03 0.03 0.00 -1.02 0.00 0.00 52.86 51.88 1lkn s ASN 38 Cb -0.04 -2.54 -0.05 0.00 0.02 0.00 0.00 41.25 38.64 1lkn s ASN 38 CO -0.11 -2.47 -0.02 -1.83 0.02 0.00 0.00 177.10 172.68 1lkn s GLU 39 N 7.01 1.21 -0.02 -0.60 -1.05 -1.26 -3.54 118.70 120.46 1lkn s GLU 39 Ca 0.68 -1.59 0.02 0.00 -0.15 0.00 0.00 54.97 53.92 1lkn s GLU 39 Cb -0.11 -0.53 0.00 0.00 -0.44 0.00 0.00 34.13 33.06 1lkn s GLU 39 CO 0.14 -0.07 -0.05 0.99 0.95 0.00 0.00 175.26 177.23 1lkn s THR 40 N -3.46 0.46 0.20 1.83 2.01 -0.72 -4.12 115.64 111.84 1lkn s THR 40 Ca 0.25 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.13 1lkn s THR 40 Cb 0.05 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 72.09 1lkn s THR 40 CO 0.06 0.16 -0.14 0.00 -0.69 0.00 0.00 174.62 174.00 1lkn s TYR 42 N -2.97 0.93 0.59 0.00 5.04 -0.44 -3.21 117.35 117.29 1lkn s TYR 42 Ca 0.22 -0.32 -0.17 0.00 -2.44 0.00 0.00 57.07 54.37 1lkn s TYR 42 Cb -0.01 -0.83 -0.04 0.00 0.35 0.00 0.00 41.96 41.44 1lkn s TYR 42 CO 0.07 -0.28 1.08 0.42 -1.34 0.00 0.00 175.55 175.50 1lkn s ILE 43 N 1.23 3.53 0.00 3.14 1.09 0.27 0.17 121.20 130.63 1lkn s ILE 43 Ca -0.06 0.78 0.00 0.00 -1.10 0.00 0.00 60.65 60.28 1lkn s ILE 43 Cb -0.14 -3.29 0.00 0.00 -1.06 0.00 0.00 42.46 37.97 1lkn s ILE 43 CO -0.02 -0.37 0.00 -0.11 -0.10 0.00 0.00 174.94 174.34 1lkn n LEU 44 N -1.90 1.62 -3.15 2.97 7.94 0.43 -2.36 117.00 122.56 1lkn n LEU 44 Ca 0.10 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 55.05 1lkn n LEU 44 Cb 0.52 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.46 1lkn n LEU 44 CO 0.46 0.27 0.48 -1.83 -1.11 0.00 0.00 177.39 175.66 1lkn s GLU 45 N -1.90 0.23 0.00 1.96 -1.05 -1.13 -4.50 118.70 112.32 1lkn s GLU 45 Ca 0.00 0.31 0.00 0.00 -0.15 0.00 0.00 54.97 55.13 1lkn s GLU 45 Cb 0.00 0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1lkn s GLU 45 CO 0.00 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.27 1lkn n GLY 46 N 5.31 -0.51 3.26 -3.83 0.00 -1.24 -2.15 105.19 106.03 1lkn n GLY 46 Ca 0.02 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.93 0.37 -0.06 1.61 2.36 -1.26 -2.33 119.74 118.50 1lkn s LYS 47 Ca 0.00 0.86 0.04 0.00 -2.55 0.00 0.00 55.97 54.32 1lkn s LYS 47 Cb 0.00 0.08 -0.00 0.00 -1.05 0.00 0.00 37.83 36.86 1lkn s LYS 47 CO 0.00 -0.19 -0.18 0.08 1.55 0.00 0.00 175.35 176.61 1lkn s VAL 48 N 1.78 1.57 -0.28 4.02 1.01 -1.09 -0.11 120.40 127.29 1lkn s VAL 48 Ca -0.07 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 1lkn s VAL 48 Cb -0.09 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1lkn s VAL 48 CO -0.13 0.45 0.05 -1.61 0.00 0.00 0.00 175.10 173.86 1lkn s GLU 49 N 0.16 3.14 -0.14 2.72 2.02 -1.02 -2.64 118.70 122.93 1lkn s GLU 49 Ca -0.08 -0.82 -0.07 0.00 0.02 0.00 0.00 54.97 54.02 1lkn s GLU 49 Cb -0.14 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1lkn s GLU 49 CO 0.04 -0.39 0.11 0.08 0.02 0.00 0.00 175.26 175.12 1lkn s VAL 50 N 1.49 5.26 -0.18 2.63 1.01 0.11 -3.77 120.40 126.95 1lkn s VAL 50 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1lkn s VAL 50 Cb -0.17 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 32.94 1lkn s VAL 50 CO 0.01 0.56 -0.08 -0.89 0.00 0.00 0.00 175.10 174.70 1lkn s THR 51 N -0.52 1.33 0.57 3.92 2.01 -1.23 -0.22 115.64 121.50 1lkn s THR 51 Ca 0.12 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 1lkn s THR 51 Cb -0.12 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1lkn s THR 51 CO 0.02 0.16 0.93 0.42 -0.69 0.00 0.00 174.62 175.46 1lkn s THR 52 N 1.54 4.50 0.18 -0.82 -4.23 -0.98 -2.89 115.64 112.95 1lkn s THR 52 Ca 0.00 0.46 -0.06 0.00 -1.18 0.00 0.00 61.69 60.91 1lkn s THR 52 Cb -0.15 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 69.90 1lkn s THR 52 CO -0.08 -0.89 1.54 -0.08 -0.54 0.00 0.00 174.62 174.58 1lkn h GLU 53 N -0.13 0.78 -0.35 3.99 4.57 -1.83 -2.88 114.58 118.73 1lkn h GLU 53 Ca -0.45 -0.39 0.06 0.00 -1.18 0.00 0.00 59.36 57.39 1lkn h GLU 53 Cb 1.21 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 1lkn h GLU 53 CO 0.62 1.02 0.24 0.22 -1.18 0.00 0.00 179.01 179.93 1lkn h ASP 54 N 0.65 0.19 0.00 1.04 1.82 -1.94 -3.45 116.42 114.73 1lkn h ASP 54 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1lkn h ASP 54 Cb 0.91 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1lkn h ASP 54 CO 0.08 0.13 0.00 0.61 -1.61 0.00 0.00 179.24 178.45 1lkn n GLY 55 N -1.54 1.54 3.47 -0.78 0.00 -1.09 -5.15 105.19 101.63 1lkn n GLY 55 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1lkn n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lkn n LYS 56 N -0.01 0.74 -3.67 1.61 4.76 -1.25 -4.95 118.16 115.39 1lkn n LYS 56 Ca 0.00 -3.11 -0.12 0.00 -2.87 0.00 0.00 58.31 52.21 1lkn n LYS 56 Cb 0.00 0.30 -0.08 0.00 -1.84 0.00 0.00 35.03 33.40 1lkn n LYS 56 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1lkn s LYS 57 N -4.08 0.64 -0.19 1.97 2.47 -1.26 -2.30 119.74 116.99 1lkn s LYS 57 Ca 0.30 0.87 -0.01 0.00 -1.56 0.00 0.00 55.97 55.57 1lkn s LYS 57 Cb -0.02 0.25 0.05 0.00 -1.46 0.00 0.00 37.83 36.65 1lkn s LYS 57 CO 0.19 -0.10 -0.00 0.71 0.16 0.00 0.00 175.35 176.30 1lkn s TYR 58 N 0.68 1.48 -0.28 4.03 2.02 0.69 -4.96 117.35 121.01 1lkn s TYR 58 Ca -0.03 -1.09 -0.05 0.00 -0.37 0.00 0.00 57.07 55.53 1lkn s TYR 58 Cb -0.05 -1.21 0.01 0.00 -0.40 0.00 0.00 41.96 40.32 1lkn s TYR 58 CO -0.04 -0.64 0.03 0.54 -1.57 0.00 0.00 175.55 173.87 1lkn s VAL 59 N 1.71 3.64 0.02 0.71 0.11 -1.26 0.06 120.40 125.37 1lkn s VAL 59 Ca -0.02 -0.76 0.06 0.00 -2.93 0.00 0.00 61.98 58.33 1lkn s VAL 59 Cb -0.17 -2.85 -0.02 0.00 -1.53 0.00 0.00 36.38 31.81 1lkn s VAL 59 CO -0.07 0.14 -0.17 0.27 -3.33 0.00 0.00 175.10 171.94 1lkn s ILE 60 N 1.45 1.35 -0.02 7.04 -5.25 -1.08 -5.05 121.20 119.64 1lkn s ILE 60 Ca 0.02 -0.91 -0.01 0.00 -0.99 0.00 0.00 60.65 58.76 1lkn s ILE 60 Cb -0.17 -1.16 0.01 0.00 2.95 0.00 0.00 42.46 44.09 1lkn s ILE 60 CO 0.00 0.23 0.05 -0.70 -1.79 0.00 0.00 174.94 172.74 1lkn s GLU 61 N -0.79 0.04 0.00 0.37 2.12 -1.26 -2.69 118.70 116.49 1lkn s GLU 61 Ca 0.05 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.52 1lkn s GLU 61 Cb -0.07 -0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.25 1lkn s GLU 61 CO 0.00 -0.07 0.00 1.17 -0.54 0.00 0.00 175.26 175.83 1lkn n LYS 62 N 3.48 0.00 -2.41 4.30 0.00 -0.99 -4.34 118.16 118.20 1lkn n LYS 62 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.07 1lkn n LYS 62 Cb 0.56 -0.27 0.03 0.00 0.00 0.00 0.00 35.03 35.35 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 1.71 0.13 2.93 3.14 0.00 -0.99 -4.96 105.19 107.15 1lkn n GLY 63 Ca 0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1lkn n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lkn s ASP 64 N -3.39 0.09 -0.04 1.61 -1.08 -1.25 -3.87 116.67 108.74 1lkn s ASP 64 Ca 0.06 -0.20 0.04 0.00 -0.52 0.00 0.00 52.55 51.93 1lkn s ASP 64 Cb -0.01 0.06 0.00 0.00 -1.46 0.00 0.00 42.92 41.52 1lkn s ASP 64 CO 0.28 -0.14 -0.14 -1.48 0.52 0.00 0.00 175.17 174.21 1lkn s LEU 65 N -0.65 1.84 0.09 -1.34 0.05 -0.34 -0.56 118.68 117.77 1lkn s LEU 65 Ca -0.07 -0.30 0.06 0.00 0.05 0.00 0.00 54.13 53.88 1lkn s LEU 65 Cb -0.04 -0.83 -0.03 0.00 -2.05 0.00 0.00 46.19 43.23 1lkn s LEU 65 CO -0.00 0.11 -0.17 -0.69 -0.55 0.00 0.00 176.35 175.05 1lkn s VAL 66 N 0.16 1.38 0.18 1.48 1.01 -1.20 -3.33 120.40 120.08 1lkn s VAL 66 Ca -0.05 -1.46 0.07 0.00 0.00 0.00 0.00 61.98 60.55 1lkn s VAL 66 Cb -0.11 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1lkn s VAL 66 CO 0.02 -0.19 0.02 -0.89 0.00 0.00 0.00 175.10 174.06 1lkn s THR 67 N -1.35 3.81 0.00 3.92 2.01 -1.25 -3.85 115.64 118.95 1lkn s THR 67 Ca 0.03 -1.40 -0.07 0.00 0.31 0.00 0.00 61.69 60.57 1lkn s THR 67 Cb -0.09 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.49 1lkn s THR 67 CO 0.03 -0.12 0.12 -0.36 -0.69 0.00 0.00 174.62 173.61 1lkn s PHE 68 N -1.75 0.05 -0.09 4.92 0.40 -1.25 -3.84 117.98 116.42 1lkn s PHE 68 Ca 0.28 -0.14 -0.20 0.00 -0.60 0.00 0.00 56.93 56.27 1lkn s PHE 68 Cb -0.09 -0.06 -0.04 0.00 0.51 0.00 0.00 43.02 43.34 1lkn s PHE 68 CO 0.19 -0.27 0.54 -1.25 0.70 0.00 0.00 175.22 175.13 1lkn s PRO 69 N -1.32 4.35 -0.54 0.24 0.04 -1.26 -4.45 135.00 132.05 1lkn s PRO 69 Ca -0.14 0.58 -0.39 0.00 0.04 0.00 0.00 61.00 61.10 1lkn s PRO 69 Cb -0.08 -3.42 -0.17 0.00 0.04 0.00 0.00 34.50 30.88 1lkn s PRO 69 CO 0.01 0.18 2.26 1.17 0.04 0.00 0.00 177.00 180.66 1lkn n LYS 70 N 3.51 0.36 0.00 4.56 4.81 -1.26 -0.57 118.16 129.58 1lkn n LYS 70 Ca -0.06 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1lkn n LYS 70 Cb 0.51 -1.87 0.00 0.00 0.02 0.00 0.00 35.03 33.70 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 7.00 0.99 3.58 3.14 0.00 -0.56 -4.88 105.19 114.45 1lkn n GLY 71 Ca 0.52 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 46.03 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 1.47 -4.04 0.99 7.94 0.27 -4.43 117.00 119.20 1lkn n LEU 72 Ca 0.00 1.13 -0.31 0.00 -1.11 0.00 0.00 56.01 55.72 1lkn n LEU 72 Cb 0.00 -1.18 -0.16 0.00 0.53 0.00 0.00 43.42 42.61 1lkn n LEU 72 CO 0.00 -1.22 -0.48 -0.60 -1.11 0.00 0.00 177.39 173.98 1lkn s ARG 73 N 0.07 2.30 0.08 1.96 3.52 -1.26 0.17 118.95 125.79 1lkn s ARG 73 Ca 0.80 -0.88 -0.09 0.00 -0.13 0.00 0.00 55.73 55.43 1lkn s ARG 73 Cb -0.93 -2.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1lkn s ARG 73 CO 0.50 -0.38 0.19 0.00 -0.81 0.00 0.00 175.30 174.79 1lkn s ARG 75 N -3.70 4.15 -0.04 0.00 6.06 -1.14 -1.47 118.95 122.80 1lkn s ARG 75 Ca 0.04 0.04 -0.08 0.00 -2.50 0.00 0.00 55.73 53.23 1lkn s ARG 75 Cb 0.04 -3.53 -0.05 0.00 0.06 0.00 0.00 34.95 31.48 1lkn s ARG 75 CO -0.10 0.01 0.24 -1.58 -2.50 0.00 0.00 175.30 171.37 1lkn s TRP 76 N 1.17 3.61 -0.20 5.12 0.52 0.36 -3.55 118.94 125.97 1lkn s TRP 76 Ca 0.15 0.62 -0.04 0.00 0.02 0.00 0.00 56.10 56.85 1lkn s TRP 76 Cb -0.14 -2.01 0.09 0.00 -1.15 0.00 0.00 33.47 30.26 1lkn s TRP 76 CO 0.06 0.67 0.24 0.15 0.02 0.00 0.00 176.95 178.09 1lkn s LYS 77 N -1.38 0.20 -0.24 4.98 1.02 -1.25 -0.66 119.74 122.41 1lkn s LYS 77 Ca 0.22 0.30 -0.23 0.00 0.02 0.00 0.00 55.97 56.29 1lkn s LYS 77 Cb -0.13 -0.99 -0.01 0.00 -0.52 0.00 0.00 37.83 36.18 1lkn s LYS 77 CO 0.11 -0.60 0.74 0.14 -0.92 0.00 0.00 175.35 174.81 1lkn s VAL 78 N 2.36 4.91 0.09 3.17 -7.23 -1.11 -2.43 120.40 120.16 1lkn s VAL 78 Ca 0.07 1.38 0.06 0.00 -1.81 0.00 0.00 61.98 61.68 1lkn s VAL 78 Cb -0.15 -4.03 -0.22 0.00 0.56 0.00 0.00 36.38 32.53 1lkn s VAL 78 CO -0.12 -0.01 1.17 -0.07 -0.31 0.00 0.00 175.10 175.76 1lkn h LEU 79 N 8.92 0.05 -8.50 1.32 4.07 -0.81 -3.26 115.31 117.10 1lkn h LEU 79 Ca -0.26 -0.06 -0.27 0.00 0.08 0.00 0.00 57.88 57.37 1lkn h LEU 79 Cb 1.11 -0.02 -0.15 0.00 1.08 0.00 0.00 40.66 42.68 1lkn h LEU 79 CO 0.82 1.05 -0.71 -1.61 -1.08 0.00 0.00 178.44 176.91 1lkn s GLU 80 N -2.69 0.90 -0.57 1.13 2.02 -1.25 -4.70 118.70 113.55 1lkn s GLU 80 Ca -0.01 -1.33 -0.40 0.00 0.02 0.00 0.00 54.97 53.26 1lkn s GLU 80 Cb 0.09 -0.39 -0.18 0.00 0.10 0.00 0.00 34.13 33.76 1lkn s GLU 80 CO 0.83 0.03 2.26 -2.30 0.02 0.00 0.00 175.26 176.10 1lkn n PRO 81 N 0.05 0.21 -4.06 0.39 -0.02 -1.26 -4.06 135.00 126.24 1lkn n PRO 81 Ca -0.12 0.05 -0.36 0.00 -2.02 0.00 0.00 63.50 61.05 1lkn n PRO 81 Cb 0.60 -1.71 -0.08 0.00 -0.02 0.00 0.00 33.50 32.29 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 6.94 4.98 -0.17 -1.45 1.01 0.20 -3.69 120.40 128.22 1lkn s VAL 82 Ca 1.21 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 63.17 1lkn s VAL 82 Cb -1.31 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 31.96 1lkn s VAL 82 CO 0.59 0.58 0.05 -0.60 0.00 0.00 0.00 175.10 175.71 1lkn s ARG 83 N -0.65 0.49 0.15 2.72 6.06 -0.91 0.25 118.95 127.06 1lkn s ARG 83 Ca 0.12 -0.28 0.08 0.00 -2.50 0.00 0.00 55.73 53.15 1lkn s ARG 83 Cb -0.12 -1.92 -0.04 0.00 0.06 0.00 0.00 34.95 32.94 1lkn s ARG 83 CO 0.02 -0.61 -0.19 0.21 -2.50 0.00 0.00 175.30 172.24 1lkn s LYS 84 N 1.94 1.23 0.33 5.12 2.36 -1.12 0.16 119.74 129.76 1lkn s LYS 84 Ca 0.00 -1.35 0.06 0.00 -2.55 0.00 0.00 55.97 52.13 1lkn s LYS 84 Cb -0.16 -1.32 -0.01 0.00 -1.05 0.00 0.00 37.83 35.29 1lkn s LYS 84 CO -0.08 0.27 0.47 -1.01 1.55 0.00 0.00 175.35 176.55 1lkn s HIS 85 N -1.88 3.20 0.19 4.03 3.76 0.44 -1.15 115.29 123.87 1lkn s HIS 85 Ca 0.13 -0.13 0.11 0.00 -0.15 0.00 0.00 55.06 55.03 1lkn s HIS 85 Cb -0.06 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 1lkn s HIS 85 CO 0.06 0.05 -0.22 0.71 -0.85 0.00 0.00 174.74 174.49 1lkn s TYR 86 N -2.17 2.36 -0.40 1.40 2.02 -1.26 -1.33 117.35 117.96 1lkn s TYR 86 Ca 0.43 -0.34 0.10 0.00 -0.37 0.00 0.00 57.07 56.90 1lkn s TYR 86 Cb -0.09 -1.17 0.36 0.00 -0.40 0.00 0.00 41.96 40.66 1lkn s TYR 86 CO 0.31 0.49 0.99 -1.71 -1.57 0.00 0.00 175.55 174.07 1lkn n ASN 87 N 0.26 -0.62 -4.76 2.29 2.85 0.42 -4.64 115.26 111.06 1lkn n ASN 87 Ca -0.12 -3.13 -0.39 0.00 -0.11 0.00 0.00 54.58 50.82 1lkn n ASN 87 Cb 0.56 0.55 -0.05 0.00 1.24 0.00 0.00 39.78 42.07 1lkn n ASN 87 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1lkn s LEU 88 N -2.59 4.49 0.00 1.20 1.43 -1.26 -1.76 118.68 120.18 1lkn s LEU 88 Ca 0.29 1.42 0.28 0.00 -1.03 0.00 0.00 54.13 55.09 1lkn s LEU 88 Cb 0.35 -3.15 1.06 0.00 0.03 0.00 0.00 46.19 44.48 1lkn s LEU 88 CO -0.05 0.11 1.75 0.49 0.23 0.00 0.00 176.35 178.87