#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 0.60 -4.31 0.03 2.13 -1.26 -4.97 120.64 112.86 1lkn n GLU 2 Ca 0.00 -1.23 -0.33 0.00 0.66 0.00 0.00 57.16 56.26 1lkn n GLU 2 Cb 0.00 -0.23 -0.16 0.00 0.27 0.00 0.00 31.44 31.32 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 0.12 2.31 0.16 6.31 1.01 -1.25 -3.39 120.40 125.67 1lkn s VAL 3 Ca 0.15 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1lkn s VAL 3 Cb 0.25 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1lkn s VAL 3 CO -0.08 0.53 -0.17 -1.59 0.00 0.00 0.00 175.10 173.78 1lkn s LYS 4 N 1.11 1.23 -0.20 2.72 0.00 -1.26 -4.92 119.74 118.42 1lkn s LYS 4 Ca 0.00 -1.38 0.01 0.00 0.00 0.00 0.00 55.97 54.61 1lkn s LYS 4 Cb -0.14 -1.25 0.03 0.00 0.00 0.00 0.00 37.83 36.47 1lkn s LYS 4 CO -0.07 0.25 -0.18 0.42 0.00 0.00 0.00 175.35 175.77 1lkn s ILE 5 N -2.08 2.10 -0.02 3.79 -1.09 -1.26 -3.79 121.20 118.85 1lkn s ILE 5 Ca 0.14 -1.10 -0.18 0.00 -2.23 0.00 0.00 60.65 57.28 1lkn s ILE 5 Cb -0.05 -1.97 0.03 0.00 -1.58 0.00 0.00 42.46 38.89 1lkn s ILE 5 CO 0.06 0.40 0.38 -0.70 -1.23 0.00 0.00 174.94 173.86 1lkn s GLU 6 N 1.25 0.75 -0.46 2.79 2.56 -1.17 -5.03 118.70 119.39 1lkn s GLU 6 Ca 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 54.97 54.82 1lkn s GLU 6 Cb -0.15 0.34 0.12 0.00 2.00 0.00 0.00 34.13 36.44 1lkn s GLU 6 CO -0.11 -0.22 0.30 0.15 -0.56 0.00 0.00 175.26 174.82 1lkn s LYS 7 N -1.32 2.30 0.26 4.30 1.02 -1.26 -0.89 119.74 124.15 1lkn s LYS 7 Ca -0.13 -1.83 -0.30 0.00 0.02 0.00 0.00 55.97 53.73 1lkn s LYS 7 Cb -0.04 -3.79 -0.14 0.00 -0.52 0.00 0.00 37.83 33.34 1lkn s LYS 7 CO 0.05 -1.15 1.24 -2.30 -0.92 0.00 0.00 175.35 172.27 1lkn n PRO 8 N 4.71 1.73 -3.09 -1.68 -0.02 -1.26 -4.98 135.00 130.42 1lkn n PRO 8 Ca -0.05 0.61 -0.29 0.00 -2.02 0.00 0.00 63.50 61.75 1lkn n PRO 8 Cb 0.41 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 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 -0.55 4.90 0.57 3.45 -1.32 -1.26 -4.78 115.64 116.64 1lkn s THR 9 Ca 0.64 0.35 0.46 0.00 -1.21 0.00 0.00 61.69 61.94 1lkn s THR 9 Cb -0.68 -3.73 0.68 0.00 -1.51 0.00 0.00 72.50 67.26 1lkn s THR 9 CO 0.55 -0.42 1.55 1.55 -2.21 0.00 0.00 174.62 175.64 1lkn h PRO 10 N 1.46 0.00 -0.08 7.08 0.13 -1.97 0.63 132.00 139.25 1lkn h PRO 10 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1lkn h PRO 10 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1lkn h PRO 10 CO 0.65 0.00 -0.06 1.49 -0.23 0.00 0.00 178.00 179.85 1lkn h GLU 11 N 0.00 0.19 -0.09 0.86 4.81 -2.01 -2.02 114.58 116.33 1lkn h GLU 11 Ca 0.85 -0.09 -0.22 0.00 -0.13 0.00 0.00 59.36 59.78 1lkn h GLU 11 Cb 3.56 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 32.94 1lkn h GLU 11 CO -0.01 0.59 -0.81 0.87 -0.73 0.00 0.00 179.01 178.92 1lkn h LYS 12 N -0.21 0.61 -0.02 1.92 6.56 -0.21 -3.15 116.57 122.07 1lkn h LYS 12 Ca 0.02 -0.53 -0.03 0.00 -1.06 0.00 0.00 60.65 59.05 1lkn h LYS 12 Cb 0.54 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.31 1lkn h LYS 12 CO 0.02 1.15 -0.13 -0.07 -2.06 0.00 0.00 179.45 178.35 1lkn h LEU 13 N 0.40 0.03 -0.40 2.94 3.38 -0.94 -2.03 115.31 118.70 1lkn h LEU 13 Ca -0.06 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1lkn h LEU 13 Cb 1.42 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.10 1lkn h LEU 13 CO 0.15 0.17 -0.02 0.50 0.09 0.00 0.00 178.44 179.34 1lkn h LYS 14 N 0.03 0.08 0.00 1.13 3.11 -1.32 1.28 116.57 120.89 1lkn h LYS 14 Ca 0.01 -0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.69 1lkn h LYS 14 Cb 0.26 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.45 1lkn h LYS 14 CO 0.02 0.06 -0.74 0.93 -2.81 0.00 0.00 179.45 176.91 1lkn h GLU 15 N 0.09 0.00 -0.63 1.90 4.39 -1.66 -3.22 114.58 115.44 1lkn h GLU 15 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1lkn h GLU 15 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1lkn h GLU 15 CO -0.34 0.71 0.00 1.28 -1.16 0.00 0.00 179.01 179.50 1lkn n LEU 16 N -3.27 3.89 -1.83 1.33 4.32 -0.62 -4.97 117.00 115.85 1lkn n LEU 16 Ca 0.01 -1.97 -0.08 0.00 -0.02 0.00 0.00 56.01 53.96 1lkn n LEU 16 Cb 0.83 -0.52 -0.08 0.00 -1.62 0.00 0.00 43.42 42.02 1lkn n LEU 16 CO 0.43 0.63 0.80 -1.20 -1.22 0.00 0.00 177.39 176.83 1lkn n SER 17 N 0.78 -0.65 0.34 -1.43 7.64 0.43 -4.67 113.62 116.05 1lkn n SER 17 Ca 0.20 -0.28 0.20 0.00 1.01 0.00 0.00 58.87 60.00 1lkn n SER 17 Cb 0.75 -0.22 1.06 0.00 -1.01 0.00 0.00 64.21 64.79 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 2.90 0.01 -0.69 0.44 -1.51 -1.94 -1.82 116.25 113.65 1lkn h VAL 18 Ca 0.01 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.68 1lkn h VAL 18 Cb 0.46 0.87 -0.03 0.00 -2.13 0.00 0.00 31.29 30.46 1lkn h VAL 18 CO 0.64 0.00 0.67 1.05 -1.23 0.00 0.00 177.57 178.69 1lkn h GLU 19 N 0.00 0.00 0.00 5.19 4.11 -1.95 1.20 114.58 123.13 1lkn h GLU 19 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1lkn h GLU 19 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1lkn h GLU 19 CO -0.00 0.00 -0.75 0.87 0.07 0.00 0.00 179.01 179.20 1lkn h LYS 20 N 0.00 0.00 -6.83 1.06 1.57 -1.69 -3.46 116.57 107.22 1lkn h LYS 20 Ca 0.33 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.63 1lkn h LYS 20 Cb 1.66 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.95 1lkn h LYS 20 CO -0.00 0.00 0.35 -1.58 -0.57 0.00 0.00 179.45 177.64 1lkn s TRP 21 N -3.27 3.81 0.77 -1.35 0.51 0.41 -5.02 118.94 114.80 1lkn s TRP 21 Ca 0.03 1.84 -0.15 0.00 -2.12 0.00 0.00 56.10 55.70 1lkn s TRP 21 Cb 0.10 -2.95 0.00 0.00 -0.81 0.00 0.00 33.47 29.82 1lkn s TRP 21 CO 0.75 0.31 0.72 -0.35 -0.51 0.00 0.00 176.95 177.87 1lkn n PRO 22 N 0.94 0.25 -4.04 4.98 -0.04 -1.26 -4.74 135.00 131.08 1lkn n PRO 22 Ca 0.00 0.14 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 1lkn n PRO 22 Cb 0.49 -2.02 -0.06 0.00 -0.04 0.00 0.00 33.50 31.87 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 -1.99 4.75 -0.01 0.52 -1.09 -1.26 -3.52 121.20 118.60 1lkn s ILE 23 Ca 0.67 -0.58 0.07 0.00 -2.23 0.00 0.00 60.65 58.59 1lkn s ILE 23 Cb -0.32 -3.25 -0.02 0.00 -1.58 0.00 0.00 42.46 37.29 1lkn s ILE 23 CO 0.56 0.21 -0.23 0.86 -1.23 0.00 0.00 174.94 175.11 1lkn s TRP 24 N -1.34 2.04 -0.11 3.97 -0.00 -0.43 -4.98 118.94 118.09 1lkn s TRP 24 Ca 0.28 -0.39 0.01 0.00 -0.00 0.00 0.00 56.10 56.00 1lkn s TRP 24 Cb -0.12 -1.30 -0.02 0.00 -0.00 0.00 0.00 33.47 32.03 1lkn s TRP 24 CO 0.20 -0.02 -0.14 -1.21 -0.00 0.00 0.00 176.95 175.78 1lkn s GLU 25 N -0.62 3.17 -0.10 5.86 2.02 -1.26 -2.80 118.70 124.97 1lkn s GLU 25 Ca 0.09 -0.70 -0.05 0.00 0.02 0.00 0.00 54.97 54.32 1lkn s GLU 25 Cb -0.09 -2.55 0.04 0.00 0.10 0.00 0.00 34.13 31.63 1lkn s GLU 25 CO -0.01 0.30 0.23 0.21 0.02 0.00 0.00 175.26 176.01 1lkn s LYS 26 N 0.11 0.20 0.35 1.61 2.20 0.80 -4.99 119.74 120.01 1lkn s LYS 26 Ca -0.07 0.46 0.01 0.00 -0.36 0.00 0.00 55.97 56.02 1lkn s LYS 26 Cb -0.15 -0.08 -0.03 0.00 -1.51 0.00 0.00 37.83 36.06 1lkn s LYS 26 CO 0.05 -0.14 0.54 -1.83 -0.36 0.00 0.00 175.35 173.61 1lkn s GLU 27 N 1.03 3.43 0.00 4.03 1.03 -1.26 0.15 118.70 127.11 1lkn s GLU 27 Ca -0.08 -0.41 0.00 0.00 0.03 0.00 0.00 54.97 54.51 1lkn s GLU 27 Cb -0.09 -2.68 0.00 0.00 -0.80 0.00 0.00 34.13 30.56 1lkn s GLU 27 CO -0.07 0.13 0.68 0.28 -1.33 0.00 0.00 175.26 174.96 1lkn n VAL 28 N -1.78 0.00 -1.46 1.83 0.31 -1.26 -4.76 118.33 111.22 1lkn n VAL 28 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1lkn n VAL 28 Cb 0.56 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 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 3.92 0.00 -3.71 4.52 2.88 -1.24 -4.86 113.62 115.13 1lkn n SER 29 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1lkn n SER 29 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 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 2.90 0.02 0.09 -1.46 2.02 -1.26 -2.84 118.70 118.17 1lkn s GLU 30 Ca 0.00 0.39 0.08 0.00 0.02 0.00 0.00 54.97 55.46 1lkn s GLU 30 Cb 0.00 -0.28 -0.03 0.00 0.10 0.00 0.00 34.13 33.92 1lkn s GLU 30 CO 0.00 -0.24 -0.20 -0.06 0.02 0.00 0.00 175.26 174.78 1lkn s PHE 31 N 1.66 1.75 0.25 1.61 0.40 -0.87 -4.97 117.98 117.80 1lkn s PHE 31 Ca -0.03 -0.42 -0.18 0.00 -0.60 0.00 0.00 56.93 55.71 1lkn s PHE 31 Cb -0.12 -0.97 -0.08 0.00 0.51 0.00 0.00 43.02 42.36 1lkn s PHE 31 CO -0.05 0.19 0.71 0.16 0.70 0.00 0.00 175.22 176.93 1lkn s ASP 32 N -1.83 6.94 -0.17 1.36 -4.77 -1.26 0.20 116.67 117.13 1lkn s ASP 32 Ca 0.06 1.34 -0.01 0.00 -3.30 0.00 0.00 52.55 50.63 1lkn s ASP 32 Cb -0.10 -2.39 -0.01 0.00 -1.09 0.00 0.00 42.92 39.34 1lkn s ASP 32 CO 0.04 -0.03 -0.11 0.86 0.70 0.00 0.00 175.17 176.62 1lkn s TRP 33 N -1.66 2.86 -0.15 2.11 -0.00 0.54 -4.79 118.94 117.85 1lkn s TRP 33 Ca 0.46 -0.94 -0.02 0.00 -0.00 0.00 0.00 56.10 55.60 1lkn s TRP 33 Cb -0.14 -1.96 0.05 0.00 -0.00 0.00 0.00 33.47 31.42 1lkn s TRP 33 CO 0.20 -0.45 0.02 -0.47 -0.00 0.00 0.00 176.95 176.24 1lkn s TYR 34 N 0.95 0.94 -0.11 5.86 5.04 -1.26 -1.21 117.35 127.56 1lkn s TYR 34 Ca -0.02 -0.62 -0.19 0.00 -2.44 0.00 0.00 57.07 53.81 1lkn s TYR 34 Cb -0.15 -0.97 -0.04 0.00 0.35 0.00 0.00 41.96 41.15 1lkn s TYR 34 CO -0.01 -0.51 0.50 -0.47 -1.34 0.00 0.00 175.55 173.72 1lkn s TYR 35 N 1.89 3.53 0.00 4.97 5.04 0.31 -4.92 117.35 128.16 1lkn s TYR 35 Ca 0.01 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1lkn s TYR 35 Cb -0.15 -2.57 0.00 0.00 0.35 0.00 0.00 41.96 39.59 1lkn s TYR 35 CO -0.07 0.18 0.01 -3.47 -1.34 0.00 0.00 175.55 170.85 1lkn n ASP 36 N 3.62 0.01 -3.62 4.32 2.03 -1.26 -2.72 116.55 118.92 1lkn n ASP 36 Ca -0.07 -0.24 -0.11 0.00 0.52 0.00 0.00 54.79 54.89 1lkn n ASP 36 Cb 0.52 0.44 -0.07 0.00 -0.72 0.00 0.00 41.12 41.28 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 -0.44 0.00 -0.51 5.18 2.01 -1.26 -4.88 115.64 115.74 1lkn s THR 37 Ca 0.00 0.00 -0.43 0.00 0.31 0.00 0.00 61.69 61.57 1lkn s THR 37 Cb 0.00 -1.00 -0.18 0.00 0.01 0.00 0.00 72.50 71.33 1lkn s THR 37 CO 0.00 0.00 2.17 -3.20 -0.69 0.00 0.00 174.62 172.90 1lkn n ASN 38 N 2.14 0.85 -4.15 3.53 2.85 -1.26 -4.90 115.26 114.31 1lkn n ASN 38 Ca -0.13 0.63 -0.16 0.00 -0.11 0.00 0.00 54.58 54.81 1lkn n ASN 38 Cb 0.56 -0.93 -0.11 0.00 1.24 0.00 0.00 39.78 40.53 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 6.17 0.78 -0.02 1.20 2.12 -1.26 -1.81 118.70 125.88 1lkn s GLU 39 Ca 1.20 -0.99 -0.00 0.00 0.36 0.00 0.00 54.97 55.53 1lkn s GLU 39 Cb -1.43 -0.63 0.03 0.00 0.26 0.00 0.00 34.13 32.35 1lkn s GLU 39 CO 0.64 0.12 0.03 0.99 -0.54 0.00 0.00 175.26 176.50 1lkn s THR 40 N -1.70 -0.04 0.12 -1.70 2.01 0.11 -3.92 115.64 110.51 1lkn s THR 40 Ca -0.01 0.23 0.06 0.00 0.31 0.00 0.00 61.69 62.28 1lkn s THR 40 Cb -0.08 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 1lkn s THR 40 CO 0.01 0.10 -0.16 0.00 -0.69 0.00 0.00 174.62 173.89 1lkn s TYR 42 N -1.87 1.91 0.48 0.00 5.04 -0.58 -3.30 117.35 119.03 1lkn s TYR 42 Ca 0.08 -0.70 -0.20 0.00 -2.44 0.00 0.00 57.07 53.81 1lkn s TYR 42 Cb -0.06 -1.32 -0.09 0.00 0.35 0.00 0.00 41.96 40.84 1lkn s TYR 42 CO 0.04 -0.29 1.02 0.42 -1.34 0.00 0.00 175.55 175.40 1lkn s ILE 43 N 0.38 3.88 -0.01 3.14 -1.09 -1.12 0.18 121.20 126.56 1lkn s ILE 43 Ca -0.13 1.17 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 1lkn s ILE 43 Cb -0.15 -3.47 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1lkn s ILE 43 CO 0.05 -0.25 -0.01 -0.11 -1.23 0.00 0.00 174.94 173.39 1lkn n LEU 44 N -0.92 2.06 -3.18 2.97 7.94 0.76 -2.06 117.00 124.58 1lkn n LEU 44 Ca 0.09 -0.01 0.05 0.00 -1.11 0.00 0.00 56.01 55.03 1lkn n LEU 44 Cb 0.53 -0.03 -0.02 0.00 0.53 0.00 0.00 43.42 44.43 1lkn n LEU 44 CO 0.39 0.37 0.72 -1.83 -1.11 0.00 0.00 177.39 175.93 1lkn s GLU 45 N -2.03 0.11 0.00 1.96 -1.05 -1.22 -4.26 118.70 112.21 1lkn s GLU 45 Ca -0.02 0.21 0.00 0.00 -0.15 0.00 0.00 54.97 55.02 1lkn s GLU 45 Cb 0.00 0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 1lkn s GLU 45 CO 0.04 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.56 1lkn n GLY 46 N 5.26 3.40 3.45 -3.83 0.00 -1.26 -2.27 105.19 109.94 1lkn n GLY 46 Ca -0.08 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.32 3.14 -0.03 1.61 1.02 -1.26 -2.71 119.74 119.18 1lkn s LYS 47 Ca 0.00 -0.64 -0.00 0.00 0.02 0.00 0.00 55.97 55.35 1lkn s LYS 47 Cb 0.00 -2.62 0.03 0.00 -0.52 0.00 0.00 37.83 34.72 1lkn s LYS 47 CO 0.00 0.38 0.02 0.08 -0.92 0.00 0.00 175.35 174.91 1lkn s VAL 48 N -0.07 0.11 -0.31 3.17 1.01 -0.97 -1.03 120.40 122.30 1lkn s VAL 48 Ca -0.01 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 1lkn s VAL 48 Cb -0.14 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.02 1lkn s VAL 48 CO 0.03 0.15 0.09 -1.61 0.00 0.00 0.00 175.10 173.77 1lkn s GLU 49 N 1.34 2.90 -0.16 2.72 2.02 -0.38 -1.59 118.70 125.55 1lkn s GLU 49 Ca -0.05 -0.98 -0.08 0.00 0.02 0.00 0.00 54.97 53.88 1lkn s GLU 49 Cb -0.13 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1lkn s GLU 49 CO -0.03 -0.53 0.10 0.08 0.02 0.00 0.00 175.26 174.90 1lkn s VAL 50 N 1.46 5.13 -0.18 2.63 1.01 -0.06 -3.38 120.40 127.01 1lkn s VAL 50 Ca 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 1lkn s VAL 50 Cb -0.18 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 32.96 1lkn s VAL 50 CO 0.02 0.51 -0.05 -0.89 0.00 0.00 0.00 175.10 174.69 1lkn s THR 51 N -0.12 1.19 0.23 3.92 2.01 -1.22 -0.52 115.64 121.13 1lkn s THR 51 Ca 0.09 -0.74 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 1lkn s THR 51 Cb -0.12 -1.38 -0.06 0.00 0.01 0.00 0.00 72.50 70.95 1lkn s THR 51 CO 0.01 0.09 0.52 0.42 -0.69 0.00 0.00 174.62 174.97 1lkn s THR 52 N 1.59 4.99 0.26 -0.82 -4.23 -0.84 -2.10 115.64 114.49 1lkn s THR 52 Ca -0.00 0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 60.78 1lkn s THR 52 Cb -0.16 -3.65 0.25 0.00 1.34 0.00 0.00 72.50 70.28 1lkn s THR 52 CO -0.08 -0.13 1.83 1.05 -0.54 0.00 0.00 174.62 176.76 1lkn h GLU 53 N 2.34 0.90 -1.17 3.99 9.09 -1.76 -0.98 114.58 126.97 1lkn h GLU 53 Ca -0.47 -0.05 0.34 0.00 0.05 0.00 0.00 59.36 59.22 1lkn h GLU 53 Cb 1.17 -0.20 -0.06 0.00 -1.65 0.00 0.00 28.75 28.02 1lkn h GLU 53 CO 0.69 0.59 0.83 0.22 0.05 0.00 0.00 179.01 181.39 1lkn h ASP 54 N 0.92 0.07 0.00 3.06 1.82 -1.94 -3.43 116.42 116.92 1lkn h ASP 54 Ca 0.45 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 1lkn h ASP 54 Cb 0.40 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1lkn h ASP 54 CO -0.25 0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.00 1lkn n GLY 55 N -1.72 1.67 4.02 -0.78 0.00 -0.38 -5.14 105.19 102.87 1lkn n GLY 55 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.05 2.24 -0.22 1.61 1.02 -1.22 -4.94 119.74 118.18 1lkn s LYS 56 Ca 0.00 -1.49 -0.18 0.00 0.02 0.00 0.00 55.97 54.31 1lkn s LYS 56 Cb 0.00 -2.60 0.06 0.00 -0.52 0.00 0.00 37.83 34.77 1lkn s LYS 56 CO 0.00 -0.91 0.57 0.21 -0.92 0.00 0.00 175.35 174.30 1lkn s LYS 57 N -4.73 0.65 -0.10 1.68 2.20 -1.26 -1.99 119.74 116.19 1lkn s LYS 57 Ca 0.62 0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 57.05 1lkn s LYS 57 Cb -0.06 0.27 0.04 0.00 -1.51 0.00 0.00 37.83 36.57 1lkn s LYS 57 CO 0.39 -0.10 0.03 0.71 -0.36 0.00 0.00 175.35 176.02 1lkn s TYR 58 N 0.56 0.59 -0.34 4.03 2.02 0.32 -4.97 117.35 119.56 1lkn s TYR 58 Ca -0.02 -0.25 -0.12 0.00 -0.37 0.00 0.00 57.07 56.31 1lkn s TYR 58 Cb -0.05 -0.78 -0.01 0.00 -0.40 0.00 0.00 41.96 40.72 1lkn s TYR 58 CO -0.03 -0.38 0.22 0.14 -1.57 0.00 0.00 175.55 173.94 1lkn s VAL 59 N 2.00 5.12 -0.15 0.71 -7.23 -1.26 -0.88 120.40 118.71 1lkn s VAL 59 Ca 0.04 -0.28 0.02 0.00 -1.81 0.00 0.00 61.98 59.94 1lkn s VAL 59 Cb -0.13 -3.64 0.01 0.00 0.56 0.00 0.00 36.38 33.18 1lkn s VAL 59 CO -0.06 -0.00 -0.20 0.27 -0.31 0.00 0.00 175.10 174.80 1lkn s ILE 60 N 1.69 1.96 -0.01 -0.62 -4.36 -0.62 -5.00 121.20 114.24 1lkn s ILE 60 Ca 0.06 -0.90 0.00 0.00 -0.26 0.00 0.00 60.65 59.55 1lkn s ILE 60 Cb -0.17 -1.76 0.01 0.00 1.25 0.00 0.00 42.46 41.79 1lkn s ILE 60 CO 0.10 0.53 -0.00 -0.70 0.24 0.00 0.00 174.94 175.10 1lkn s GLU 61 N 1.06 0.14 0.09 0.37 2.12 -1.26 -2.29 118.70 118.93 1lkn s GLU 61 Ca -0.02 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.35 1lkn s GLU 61 Cb -0.14 -0.26 0.00 0.00 0.26 0.00 0.00 34.13 33.99 1lkn s GLU 61 CO -0.07 -0.06 0.00 1.17 -0.54 0.00 0.00 175.26 175.76 1lkn n LYS 62 N 3.62 -3.34 -3.94 4.30 0.00 -1.10 -4.51 118.16 113.18 1lkn n LYS 62 Ca -0.20 2.38 -0.36 0.00 0.00 0.00 0.00 58.31 60.12 1lkn n LYS 62 Cb 0.55 -2.91 0.01 0.00 0.00 0.00 0.00 35.03 32.67 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 -1.05 3.07 3.14 0.00 -0.87 -4.93 105.19 106.38 1lkn n GLY 63 Ca 0.00 0.46 -0.12 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 -3.27 0.03 0.03 1.61 -4.77 -1.25 -4.24 116.67 104.81 1lkn s ASP 64 Ca 0.25 0.64 -0.00 0.00 -3.30 0.00 0.00 52.55 50.14 1lkn s ASP 64 Cb -0.14 0.68 -0.04 0.00 -1.09 0.00 0.00 42.92 42.33 1lkn s ASP 64 CO 0.93 -0.21 0.15 -1.48 0.70 0.00 0.00 175.17 175.25 1lkn s LEU 65 N 1.99 4.16 0.08 2.11 0.05 -0.07 -2.77 118.68 124.23 1lkn s LEU 65 Ca -0.03 0.21 0.06 0.00 0.05 0.00 0.00 54.13 54.42 1lkn s LEU 65 Cb -0.11 -2.62 -0.03 0.00 -2.05 0.00 0.00 46.19 41.38 1lkn s LEU 65 CO -0.09 0.22 -0.15 -0.69 -0.55 0.00 0.00 176.35 175.09 1lkn s VAL 66 N -1.36 1.22 0.11 1.48 1.01 -1.21 -3.06 120.40 118.58 1lkn s VAL 66 Ca 0.29 -1.39 0.02 0.00 0.00 0.00 0.00 61.98 60.90 1lkn s VAL 66 Cb -0.13 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1lkn s VAL 66 CO 0.21 -0.23 0.23 -0.89 0.00 0.00 0.00 175.10 174.42 1lkn s THR 67 N -1.38 5.24 -0.02 3.92 2.01 -1.25 -4.09 115.64 120.08 1lkn s THR 67 Ca 0.01 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1lkn s THR 67 Cb -0.09 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.79 1lkn s THR 67 CO 0.03 0.01 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.55 1lkn s PHE 68 N -1.63 0.63 -0.23 4.92 0.08 -1.22 -3.84 117.98 116.69 1lkn s PHE 68 Ca 0.34 -0.14 -0.16 0.00 0.12 0.00 0.00 56.93 57.09 1lkn s PHE 68 Cb -0.12 -0.48 -0.03 0.00 -0.57 0.00 0.00 43.02 41.81 1lkn s PHE 68 CO 0.28 -0.08 0.44 -1.25 -0.10 0.00 0.00 175.22 174.50 1lkn s PRO 69 N 0.29 4.11 -0.29 0.24 0.04 -1.26 -4.48 135.00 133.64 1lkn s PRO 69 Ca -0.03 0.21 -0.26 0.00 0.04 0.00 0.00 61.00 60.96 1lkn s PRO 69 Cb -0.08 -3.60 -0.11 0.00 0.04 0.00 0.00 34.50 30.75 1lkn s PRO 69 CO -0.00 -0.19 1.18 1.17 0.04 0.00 0.00 177.00 179.20 1lkn n LYS 70 N 5.01 0.00 0.00 4.56 4.81 -1.26 -0.89 118.16 130.39 1lkn n LYS 70 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1lkn n LYS 70 Cb 0.51 -0.87 0.00 0.00 0.02 0.00 0.00 35.03 34.69 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 3.98 0.67 3.13 3.14 0.00 -1.10 -5.00 105.19 110.00 1lkn n GLY 71 Ca 0.29 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.77 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 0.35 -3.91 0.99 7.94 -0.07 -4.30 117.00 118.01 1lkn n LEU 72 Ca 0.00 1.02 -0.25 0.00 -1.11 0.00 0.00 56.01 55.67 1lkn n LEU 72 Cb 0.00 -0.79 -0.17 0.00 0.53 0.00 0.00 43.42 42.99 1lkn n LEU 72 CO 0.00 -1.35 -0.43 -0.60 -1.11 0.00 0.00 177.39 173.90 1lkn s ARG 73 N 0.89 1.37 0.17 1.96 3.52 -1.26 0.11 118.95 125.72 1lkn s ARG 73 Ca 0.84 -0.22 -0.13 0.00 -0.13 0.00 0.00 55.73 56.08 1lkn s ARG 73 Cb -1.18 -1.39 0.01 0.00 -1.56 0.00 0.00 34.95 30.84 1lkn s ARG 73 CO 0.57 -0.19 0.40 0.00 -0.81 0.00 0.00 175.30 175.27 1lkn s ARG 75 N -3.91 3.93 0.36 0.00 3.00 -0.89 0.20 118.95 121.64 1lkn s ARG 75 Ca 0.12 -0.34 -0.17 0.00 -1.00 0.00 0.00 55.73 54.34 1lkn s ARG 75 Cb 0.01 -3.53 -0.10 0.00 0.00 0.00 0.00 34.95 31.33 1lkn s ARG 75 CO -0.03 -0.08 0.80 -1.58 0.00 0.00 0.00 175.30 174.41 1lkn s TRP 76 N 1.44 3.35 -0.25 5.12 0.52 0.52 -3.45 118.94 126.20 1lkn s TRP 76 Ca 0.07 1.34 -0.03 0.00 0.02 0.00 0.00 56.10 57.49 1lkn s TRP 76 Cb -0.15 -2.63 0.14 0.00 -1.15 0.00 0.00 33.47 29.68 1lkn s TRP 76 CO 0.07 0.03 0.42 0.15 0.02 0.00 0.00 176.95 177.64 1lkn s LYS 77 N -3.06 0.38 -0.28 4.98 1.02 -1.22 -2.05 119.74 119.53 1lkn s LYS 77 Ca 0.57 0.65 -0.10 0.00 0.02 0.00 0.00 55.97 57.10 1lkn s LYS 77 Cb -0.10 -0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 36.92 1lkn s LYS 77 CO 0.16 -0.61 0.17 0.14 -0.92 0.00 0.00 175.35 174.29 1lkn s VAL 78 N 2.60 5.10 -0.40 3.17 -7.23 -1.13 -1.25 120.40 121.26 1lkn s VAL 78 Ca 0.13 0.07 0.22 0.00 -1.81 0.00 0.00 61.98 60.59 1lkn s VAL 78 Cb -0.15 -3.43 0.30 0.00 0.56 0.00 0.00 36.38 33.65 1lkn s VAL 78 CO -0.16 0.25 1.57 -0.07 -0.31 0.00 0.00 175.10 176.37 1lkn h LEU 79 N 8.35 0.00 -7.86 1.32 4.07 -1.40 -3.30 115.31 116.49 1lkn h LEU 79 Ca -0.35 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.50 1lkn h LEU 79 Cb 1.18 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 42.76 1lkn h LEU 79 CO 0.56 0.05 -0.46 -1.61 -1.08 0.00 0.00 178.44 175.90 1lkn s GLU 80 N -3.19 0.68 -0.49 1.13 0.41 -1.26 -4.80 118.70 111.18 1lkn s GLU 80 Ca 0.06 -0.81 -0.44 0.00 -0.41 0.00 0.00 54.97 53.38 1lkn s GLU 80 Cb 0.05 0.27 -0.19 0.00 -1.78 0.00 0.00 34.13 32.49 1lkn s GLU 80 CO 0.68 -0.19 2.09 -2.30 -0.49 0.00 0.00 175.26 175.05 1lkn n PRO 81 N 0.49 0.05 -4.02 0.39 -0.02 -1.26 -4.21 135.00 126.42 1lkn n PRO 81 Ca -0.18 0.01 -0.31 0.00 -2.02 0.00 0.00 63.50 61.01 1lkn n PRO 81 Cb 0.60 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.48 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 5.74 4.87 -0.17 -1.45 0.11 0.40 -4.22 120.40 125.67 1lkn s VAL 82 Ca 1.18 -0.54 -0.03 0.00 -2.93 0.00 0.00 61.98 59.66 1lkn s VAL 82 Cb -1.47 -3.32 0.06 0.00 -1.53 0.00 0.00 36.38 30.12 1lkn s VAL 82 CO 0.67 0.20 0.05 -0.13 -3.33 0.00 0.00 175.10 172.55 1lkn s ARG 83 N -2.23 0.49 0.06 1.54 1.81 -0.96 -0.14 118.95 119.52 1lkn s ARG 83 Ca 0.29 -0.27 0.07 0.00 -1.72 0.00 0.00 55.73 54.10 1lkn s ARG 83 Cb -0.12 -1.90 -0.04 0.00 -0.45 0.00 0.00 34.95 32.44 1lkn s ARG 83 CO 0.21 -0.61 -0.16 0.21 -0.68 0.00 0.00 175.30 174.27 1lkn s LYS 84 N 1.95 2.04 0.31 3.54 2.20 -1.12 -0.17 119.74 128.48 1lkn s LYS 84 Ca 0.00 -1.02 0.06 0.00 -0.36 0.00 0.00 55.97 54.65 1lkn s LYS 84 Cb -0.16 -2.20 -0.02 0.00 -1.51 0.00 0.00 37.83 33.94 1lkn s LYS 84 CO -0.08 0.53 0.44 -1.01 -0.36 0.00 0.00 175.35 174.87 1lkn s HIS 85 N -1.02 3.24 0.24 4.03 3.76 0.48 -1.32 115.29 124.71 1lkn s HIS 85 Ca 0.16 -0.13 0.11 0.00 -0.15 0.00 0.00 55.06 55.06 1lkn s HIS 85 Cb -0.11 -1.86 -0.05 0.00 1.11 0.00 0.00 32.58 31.68 1lkn s HIS 85 CO 0.08 0.13 -0.21 0.71 -0.85 0.00 0.00 174.74 174.60 1lkn s TYR 86 N -2.12 2.21 -0.40 1.40 2.02 -1.23 -1.53 117.35 117.70 1lkn s TYR 86 Ca 0.41 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.76 1lkn s TYR 86 Cb -0.09 -1.01 0.26 0.00 -0.40 0.00 0.00 41.96 40.72 1lkn s TYR 86 CO 0.31 0.60 1.09 -1.71 -1.57 0.00 0.00 175.55 174.27 1lkn n ASN 87 N -0.28 -1.98 -4.86 2.29 2.85 0.42 -4.68 115.26 109.02 1lkn n ASN 87 Ca -0.08 -2.45 -0.34 0.00 -0.11 0.00 0.00 54.58 51.60 1lkn n ASN 87 Cb 0.59 1.21 -0.06 0.00 1.24 0.00 0.00 39.78 42.76 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 -0.41 4.26 0.00 1.20 1.43 -1.26 -0.72 118.68 123.18 1lkn s LEU 88 Ca 0.28 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 1lkn s LEU 88 Cb 0.22 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1lkn s LEU 88 CO -0.15 0.02 0.00 2.22 0.23 0.00 0.00 176.35 178.67