#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 5.16 -3.22 2.12 1.02 -1.26 -4.98 120.64 119.48 1lkn n GLU 2 Ca 0.00 -4.37 -0.39 0.00 -0.02 0.00 0.00 57.16 52.38 1lkn n GLU 2 Cb 0.00 -2.52 -0.06 0.00 -0.02 0.00 0.00 31.44 28.84 1lkn n GLU 2 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1lkn s VAL 3 N -3.42 5.10 0.11 2.62 1.01 -1.26 -4.52 120.40 120.04 1lkn s VAL 3 Ca 0.42 1.01 0.05 0.00 0.00 0.00 0.00 61.98 63.46 1lkn s VAL 3 Cb 0.18 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1lkn s VAL 3 CO -0.10 0.18 -0.13 -1.59 0.00 0.00 0.00 175.10 173.45 1lkn s LYS 4 N 1.58 0.96 -0.16 2.72 0.00 -1.26 -4.92 119.74 118.66 1lkn s LYS 4 Ca 0.25 -1.19 0.00 0.00 0.00 0.00 0.00 55.97 55.04 1lkn s LYS 4 Cb -0.16 -0.83 0.03 0.00 0.00 0.00 0.00 37.83 36.88 1lkn s LYS 4 CO 0.10 0.16 -0.12 0.42 0.00 0.00 0.00 175.35 175.90 1lkn s ILE 5 N -2.07 1.54 -0.12 3.79 1.09 -1.26 -3.63 121.20 120.53 1lkn s ILE 5 Ca 0.07 -0.70 -0.13 0.00 -1.10 0.00 0.00 60.65 58.78 1lkn s ILE 5 Cb -0.05 -1.50 0.03 0.00 -1.06 0.00 0.00 42.46 39.88 1lkn s ILE 5 CO 0.02 0.37 0.36 -1.61 -0.10 0.00 0.00 174.94 173.98 1lkn s GLU 6 N 1.49 0.47 -0.67 2.79 0.41 -1.09 -4.97 118.70 117.14 1lkn s GLU 6 Ca 0.03 0.39 -0.19 0.00 -0.41 0.00 0.00 54.97 54.79 1lkn s GLU 6 Cb -0.14 0.23 0.11 0.00 -1.78 0.00 0.00 34.13 32.55 1lkn s GLU 6 CO -0.10 -0.07 0.81 0.15 -0.49 0.00 0.00 175.26 175.55 1lkn s LYS 7 N -0.07 3.17 0.08 1.61 1.02 -1.25 -1.13 119.74 123.17 1lkn s LYS 7 Ca -0.02 -1.39 -0.34 0.00 0.02 0.00 0.00 55.97 54.25 1lkn s LYS 7 Cb -0.03 -4.36 -0.13 0.00 -0.52 0.00 0.00 37.83 32.79 1lkn s LYS 7 CO 0.01 -1.60 1.71 -0.35 -0.92 0.00 0.00 175.35 174.20 1lkn n PRO 8 N 6.41 2.27 -2.31 -1.68 -0.04 -1.26 -4.95 135.00 133.45 1lkn n PRO 8 Ca -0.02 0.82 -0.36 0.00 -0.04 0.00 0.00 63.50 63.90 1lkn n PRO 8 Cb 0.44 -2.64 -0.01 0.00 -0.04 0.00 0.00 33.50 31.25 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 2.12 3.24 0.56 0.52 2.01 -1.26 -4.64 115.64 118.19 1lkn s THR 9 Ca 0.83 0.85 0.48 0.00 0.31 0.00 0.00 61.69 64.17 1lkn s THR 9 Cb -0.65 -3.39 0.71 0.00 0.01 0.00 0.00 72.50 69.18 1lkn s THR 9 CO 0.42 -0.09 1.53 -2.65 -0.69 0.00 0.00 174.62 173.13 1lkn n PRO 10 N -0.83 0.00 -0.07 4.92 -0.01 -1.26 0.17 135.00 137.92 1lkn n PRO 10 Ca 0.09 1.07 -0.15 0.00 -0.01 0.00 0.00 63.50 64.50 1lkn n PRO 10 Cb 0.50 -2.48 -0.05 0.00 -0.01 0.00 0.00 33.50 31.45 1lkn n PRO 10 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 175.50 176.54 1lkn h GLU 11 N 0.00 0.73 0.00 -0.52 4.11 -2.01 -2.84 114.58 114.05 1lkn h GLU 11 Ca 0.90 -0.48 -0.16 0.00 0.07 0.00 0.00 59.36 59.69 1lkn h GLU 11 Cb 3.70 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 32.99 1lkn h GLU 11 CO -0.01 1.10 -0.77 -0.22 0.07 0.00 0.00 179.01 179.18 1lkn h LYS 12 N 0.46 0.00 -0.04 1.06 3.64 0.13 -3.13 116.57 118.69 1lkn h LYS 12 Ca 0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1lkn h LYS 12 Cb 1.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1lkn h LYS 12 CO 0.11 0.77 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.84 1lkn h LEU 13 N 0.00 0.06 -0.38 5.20 3.38 -0.87 -1.38 115.31 121.32 1lkn h LEU 13 Ca -0.01 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1lkn h LEU 13 Cb 1.37 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.05 1lkn h LEU 13 CO 0.10 0.21 -0.02 0.50 0.09 0.00 0.00 178.44 179.33 1lkn h LYS 14 N 0.06 0.08 0.00 1.13 3.64 -1.44 1.29 116.57 121.33 1lkn h LYS 14 Ca 0.01 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1lkn h LYS 14 Cb 0.30 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1lkn h LYS 14 CO 0.02 0.05 -0.75 0.93 -2.27 0.00 0.00 179.45 177.43 1lkn h GLU 15 N 0.08 0.00 -0.58 1.90 5.08 -1.67 -3.13 114.58 116.27 1lkn h GLU 15 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1lkn h GLU 15 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1lkn h GLU 15 CO -0.33 0.75 0.00 1.28 -1.00 0.00 0.00 179.01 179.72 1lkn n LEU 16 N -3.33 3.08 -2.02 1.33 4.77 -0.54 -4.95 117.00 115.34 1lkn n LEU 16 Ca 0.01 -1.55 -0.09 0.00 -0.03 0.00 0.00 56.01 54.35 1lkn n LEU 16 Cb 0.82 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 41.38 1lkn n LEU 16 CO 0.44 0.55 0.88 -1.20 -1.33 0.00 0.00 177.39 176.73 1lkn n SER 17 N 0.63 -0.70 0.17 -1.43 7.64 0.43 -4.70 113.62 115.66 1lkn n SER 17 Ca 0.16 -0.30 0.13 0.00 1.01 0.00 0.00 58.87 59.87 1lkn n SER 17 Cb 0.58 -0.25 0.45 0.00 -1.01 0.00 0.00 64.21 63.99 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 3.18 0.00 -0.25 0.44 -1.51 -1.93 -3.15 116.25 113.03 1lkn h VAL 18 Ca 0.02 -0.50 0.07 0.00 -1.23 0.00 0.00 66.70 65.06 1lkn h VAL 18 Cb 0.51 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1lkn h VAL 18 CO 0.70 0.00 0.34 1.05 -1.23 0.00 0.00 177.57 178.43 1lkn h GLU 19 N 0.00 0.00 -0.02 5.19 -0.00 -1.94 0.35 114.58 118.16 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 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.37 1lkn h GLU 19 CO 0.00 0.00 -0.34 0.36 -0.00 0.00 0.00 179.01 179.03 1lkn n LYS 20 N -3.57 1.51 -2.60 1.06 2.85 -1.19 -4.97 118.16 111.25 1lkn n LYS 20 Ca 0.04 -1.20 -0.27 0.00 -1.05 0.00 0.00 58.31 55.83 1lkn n LYS 20 Cb 0.47 -1.45 0.01 0.00 -0.65 0.00 0.00 35.03 33.41 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 -2.27 3.48 1.01 5.58 0.52 0.12 -5.06 118.94 122.32 1lkn s TRP 21 Ca 0.20 0.75 -0.17 0.00 0.02 0.00 0.00 56.10 56.90 1lkn s TRP 21 Cb 0.18 -2.40 0.08 0.00 -1.15 0.00 0.00 33.47 30.18 1lkn s TRP 21 CO 0.48 -0.40 -0.11 -2.30 0.02 0.00 0.00 176.95 174.65 1lkn n PRO 22 N -2.32 -1.56 -4.48 4.98 -0.02 -1.26 -4.75 135.00 125.58 1lkn n PRO 22 Ca 0.01 -0.45 -0.23 0.00 -2.02 0.00 0.00 63.50 60.81 1lkn n PRO 22 Cb 0.56 -1.44 -0.16 0.00 -0.02 0.00 0.00 33.50 32.44 1lkn n PRO 22 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1lkn s ILE 23 N -2.11 0.95 -0.05 4.25 -1.09 -1.26 -3.85 121.20 118.05 1lkn s ILE 23 Ca 0.40 -0.41 0.04 0.00 -2.23 0.00 0.00 60.65 58.45 1lkn s ILE 23 Cb -0.05 -0.87 0.00 0.00 -1.58 0.00 0.00 42.46 39.96 1lkn s ILE 23 CO 0.47 0.30 -0.15 0.86 -1.23 0.00 0.00 174.94 175.19 1lkn s TRP 24 N 0.49 1.60 -0.07 3.97 -0.00 -0.07 -4.99 118.94 119.87 1lkn s TRP 24 Ca -0.10 -0.50 0.03 0.00 -0.00 0.00 0.00 56.10 55.54 1lkn s TRP 24 Cb -0.13 -1.10 0.00 0.00 -0.00 0.00 0.00 33.47 32.24 1lkn s TRP 24 CO 0.02 -0.20 -0.18 -1.83 -0.00 0.00 0.00 176.95 174.76 1lkn s GLU 25 N 0.24 2.18 0.01 5.86 4.04 -1.26 -0.90 118.70 128.86 1lkn s GLU 25 Ca -0.07 -0.63 0.01 0.00 0.04 0.00 0.00 54.97 54.32 1lkn s GLU 25 Cb -0.13 -1.75 -0.01 0.00 0.02 0.00 0.00 34.13 32.26 1lkn s GLU 25 CO 0.03 0.14 -0.03 0.21 -1.84 0.00 0.00 175.26 173.77 1lkn s LYS 26 N 0.38 0.24 0.45 -4.83 2.47 -0.04 -4.98 119.74 113.43 1lkn s LYS 26 Ca -0.13 -0.29 -0.06 0.00 -1.56 0.00 0.00 55.97 53.94 1lkn s LYS 26 Cb -0.15 -0.11 -0.04 0.00 -1.46 0.00 0.00 37.83 36.06 1lkn s LYS 26 CO 0.05 0.02 0.76 -1.83 0.16 0.00 0.00 175.35 174.51 1lkn s GLU 27 N -0.58 3.58 0.00 4.03 -1.05 -1.26 -0.25 118.70 123.18 1lkn s GLU 27 Ca -0.04 0.21 -0.01 0.00 -0.15 0.00 0.00 54.97 54.97 1lkn s GLU 27 Cb -0.04 -2.41 -0.04 0.00 -0.44 0.00 0.00 34.13 31.20 1lkn s GLU 27 CO -0.00 -0.14 1.00 1.33 0.95 0.00 0.00 175.26 178.41 1lkn n VAL 28 N -2.00 0.60 -1.50 1.83 0.24 -1.26 -4.64 118.33 111.59 1lkn n VAL 28 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1lkn n VAL 28 Cb 0.55 -1.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 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 2.66 0.00 -3.71 -1.34 7.64 -1.22 -4.59 113.62 113.06 1lkn n SER 29 Ca 0.07 -0.18 -0.15 0.00 1.01 0.00 0.00 58.87 59.62 1lkn n SER 29 Cb 0.18 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.23 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 1.19 0.08 0.09 1.43 8.01 -1.26 -0.32 118.70 127.92 1lkn s GLU 30 Ca 0.00 0.49 0.08 0.00 0.01 0.00 0.00 54.97 55.55 1lkn s GLU 30 Cb 0.00 -0.20 -0.03 0.00 -4.31 0.00 0.00 34.13 29.59 1lkn s GLU 30 CO 0.00 -0.23 -0.20 -0.59 0.01 0.00 0.00 175.26 174.25 1lkn s PHE 31 N 1.73 1.70 -0.55 1.61 -0.71 0.17 -4.95 117.98 116.97 1lkn s PHE 31 Ca -0.04 -0.41 -0.07 0.00 -1.04 0.00 0.00 56.93 55.37 1lkn s PHE 31 Cb -0.12 -0.95 0.14 0.00 -1.21 0.00 0.00 43.02 40.89 1lkn s PHE 31 CO -0.06 0.16 0.41 0.34 -1.34 0.00 0.00 175.22 174.73 1lkn s ASP 32 N -1.73 5.65 0.26 1.98 -1.08 -1.26 0.13 116.67 120.62 1lkn s ASP 32 Ca 0.05 -2.30 0.10 0.00 -0.52 0.00 0.00 52.55 49.89 1lkn s ASP 32 Cb -0.10 -1.97 -0.04 0.00 -1.46 0.00 0.00 42.92 39.35 1lkn s ASP 32 CO 0.03 -0.57 -0.06 0.86 0.52 0.00 0.00 175.17 175.96 1lkn s TRP 33 N 0.77 2.60 -0.01 -5.34 -0.00 -1.17 -5.01 118.94 110.78 1lkn s TRP 33 Ca 0.11 -0.25 0.08 0.00 -0.00 0.00 0.00 56.10 56.04 1lkn s TRP 33 Cb -0.22 -1.15 -0.02 0.00 -0.00 0.00 0.00 33.47 32.08 1lkn s TRP 33 CO -0.03 0.64 -0.25 -0.47 -0.00 0.00 0.00 176.95 176.83 1lkn s TYR 34 N -2.32 2.35 0.36 5.86 5.04 -1.26 -2.53 117.35 124.85 1lkn s TYR 34 Ca 0.31 -0.42 -0.19 0.00 -2.44 0.00 0.00 57.07 54.33 1lkn s TYR 34 Cb -0.06 -1.49 -0.10 0.00 0.35 0.00 0.00 41.96 40.66 1lkn s TYR 34 CO 0.18 0.01 0.84 0.71 -1.34 0.00 0.00 175.55 175.96 1lkn s TYR 35 N -0.66 3.41 0.00 4.97 2.02 -0.97 -4.95 117.35 121.17 1lkn s TYR 35 Ca 0.10 1.45 0.00 0.00 -0.37 0.00 0.00 57.07 58.26 1lkn s TYR 35 Cb -0.10 -2.71 0.00 0.00 -0.40 0.00 0.00 41.96 38.75 1lkn s TYR 35 CO -0.00 0.05 0.58 -3.47 -1.57 0.00 0.00 175.55 171.14 1lkn n ASP 36 N -0.28 0.00 -3.64 2.29 2.03 -1.26 -1.33 116.55 114.36 1lkn n ASP 36 Ca 0.04 -1.31 -0.06 0.00 0.52 0.00 0.00 54.79 53.99 1lkn n ASP 36 Cb 0.53 -0.06 -0.07 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.21 5.18 2.01 -1.26 -4.82 115.64 116.54 1lkn s THR 37 Ca 0.00 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 1lkn s THR 37 Cb 0.00 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 1lkn s THR 37 CO 0.00 0.00 2.20 0.59 -0.69 0.00 0.00 174.62 176.72 1lkn n ASN 38 N 2.95 3.26 -4.34 3.53 4.13 -1.25 -4.56 115.26 118.98 1lkn n ASN 38 Ca -0.15 0.27 -0.25 0.00 1.68 0.00 0.00 54.58 56.13 1lkn n ASN 38 Cb 0.57 -1.54 -0.12 0.00 -1.54 0.00 0.00 39.78 37.15 1lkn n ASN 38 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1lkn s GLU 39 N 6.19 1.29 -0.11 3.52 2.12 -1.20 -2.01 118.70 128.50 1lkn s GLU 39 Ca 1.00 -1.32 -0.03 0.00 0.36 0.00 0.00 54.97 54.98 1lkn s GLU 39 Cb -0.38 -1.57 0.04 0.00 0.26 0.00 0.00 34.13 32.48 1lkn s GLU 39 CO 0.37 0.35 0.07 0.99 -0.54 0.00 0.00 175.26 176.50 1lkn s THR 40 N -1.43 -0.01 0.26 -1.70 2.01 -0.40 -2.89 115.64 111.48 1lkn s THR 40 Ca 0.13 0.09 0.10 0.00 0.31 0.00 0.00 61.69 62.31 1lkn s THR 40 Cb -0.09 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 1lkn s THR 40 CO 0.06 -0.03 -0.16 0.00 -0.69 0.00 0.00 174.62 173.80 1lkn s TYR 42 N -2.73 2.39 0.26 0.00 6.14 -0.75 -3.10 117.35 119.55 1lkn s TYR 42 Ca 0.27 -1.31 -0.30 0.00 0.64 0.00 0.00 57.07 56.38 1lkn s TYR 42 Cb -0.02 -1.69 -0.09 0.00 0.42 0.00 0.00 41.96 40.57 1lkn s TYR 42 CO 0.12 -0.67 1.28 0.42 0.64 0.00 0.00 175.55 177.34 1lkn s ILE 43 N 1.24 3.08 -0.06 3.14 -1.09 0.06 0.72 121.20 128.30 1lkn s ILE 43 Ca 0.01 0.98 0.07 0.00 -2.23 0.00 0.00 60.65 59.48 1lkn s ILE 43 Cb -0.14 -3.63 -0.09 0.00 -1.58 0.00 0.00 42.46 37.02 1lkn s ILE 43 CO -0.08 0.19 0.05 -0.11 -1.23 0.00 0.00 174.94 173.76 1lkn n LEU 44 N 1.79 0.00 0.00 2.97 0.00 0.23 -2.31 117.00 119.68 1lkn n LEU 44 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.04 1lkn n LEU 44 Cb 0.43 0.14 0.00 0.00 0.00 0.00 0.00 43.42 43.99 1lkn n LEU 44 CO 0.58 0.14 0.00 -1.84 0.00 0.00 0.00 177.39 176.27 1lkn n GLU 45 N -2.17 0.00 0.00 1.96 0.28 -1.08 -4.44 120.64 115.19 1lkn n GLU 45 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1lkn n GLU 45 Cb 0.63 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.50 1lkn n GLU 45 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1lkn n GLY 46 N -0.03 2.06 2.85 -1.84 0.00 -1.25 0.26 105.19 107.24 1lkn n GLY 46 Ca 0.00 -2.01 -0.23 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.56 0.95 -0.02 1.61 1.02 -1.23 -2.87 119.74 117.64 1lkn s LYS 47 Ca 0.00 -0.07 0.02 0.00 0.02 0.00 0.00 55.97 55.94 1lkn s LYS 47 Cb 0.00 -1.09 0.00 0.00 -0.52 0.00 0.00 37.83 36.22 1lkn s LYS 47 CO 0.00 -0.20 -0.08 0.08 -0.92 0.00 0.00 175.35 174.22 1lkn s VAL 48 N 1.50 0.73 -0.27 3.17 1.01 -1.12 -0.57 120.40 124.85 1lkn s VAL 48 Ca -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 1lkn s VAL 48 Cb -0.13 -0.65 0.05 0.00 0.00 0.00 0.00 36.38 35.65 1lkn s VAL 48 CO -0.04 0.23 -0.06 -1.61 0.00 0.00 0.00 175.10 173.62 1lkn s GLU 49 N 0.17 2.47 -0.18 2.72 2.02 -0.78 -2.64 118.70 122.48 1lkn s GLU 49 Ca -0.02 -1.22 -0.08 0.00 0.02 0.00 0.00 54.97 53.66 1lkn s GLU 49 Cb -0.08 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 1lkn s GLU 49 CO 0.00 -0.54 0.10 0.08 0.02 0.00 0.00 175.26 174.91 1lkn s VAL 50 N 1.22 5.10 -0.18 2.63 1.01 -0.61 -3.60 120.40 125.97 1lkn s VAL 50 Ca -0.05 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1lkn s VAL 50 Cb -0.19 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 32.94 1lkn s VAL 50 CO -0.04 0.48 -0.07 -0.89 0.00 0.00 0.00 175.10 174.58 1lkn s THR 51 N 0.15 1.31 0.11 3.92 2.01 -1.20 -0.77 115.64 121.16 1lkn s THR 51 Ca 0.07 -0.77 -0.21 0.00 0.31 0.00 0.00 61.69 61.09 1lkn s THR 51 Cb -0.12 -1.45 -0.07 0.00 0.01 0.00 0.00 72.50 70.88 1lkn s THR 51 CO -0.00 0.15 0.64 0.42 -0.69 0.00 0.00 174.62 175.13 1lkn s THR 52 N 1.55 4.62 0.38 -0.82 -4.23 -0.69 -2.67 115.64 113.77 1lkn s THR 52 Ca 0.00 1.37 0.13 0.00 -1.18 0.00 0.00 61.69 62.01 1lkn s THR 52 Cb -0.16 -3.97 0.35 0.00 1.34 0.00 0.00 72.50 70.06 1lkn s THR 52 CO -0.08 0.54 1.85 -0.33 -0.54 0.00 0.00 174.62 176.06 1lkn h GLU 53 N 4.44 0.53 -0.68 3.99 5.08 -1.89 0.22 114.58 126.27 1lkn h GLU 53 Ca -0.49 -0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.00 1lkn h GLU 53 Cb 1.21 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 1lkn h GLU 53 CO 0.64 0.35 0.47 -0.44 -1.00 0.00 0.00 179.01 179.03 1lkn h ASP 54 N 0.54 0.22 0.00 1.42 3.32 -1.93 -3.44 116.42 116.55 1lkn h ASP 54 Ca 0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1lkn h ASP 54 Cb 0.97 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1lkn h ASP 54 CO -0.21 0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.03 1lkn n GLY 55 N -1.58 1.99 3.91 2.75 0.00 0.75 -5.15 105.19 107.86 1lkn n GLY 55 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 2.26 -0.22 1.61 1.02 -1.17 -4.94 119.74 118.29 1lkn s LYS 56 Ca 0.00 -2.00 -0.14 0.00 0.02 0.00 0.00 55.97 53.85 1lkn s LYS 56 Cb 0.00 -2.13 0.07 0.00 -0.52 0.00 0.00 37.83 35.25 1lkn s LYS 56 CO 0.00 -0.62 0.56 0.21 -0.92 0.00 0.00 175.35 174.57 1lkn s LYS 57 N -4.30 0.58 -0.21 1.68 2.20 -1.26 -1.70 119.74 116.73 1lkn s LYS 57 Ca 0.35 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 1lkn s LYS 57 Cb -0.02 0.12 0.05 0.00 -1.51 0.00 0.00 37.83 36.47 1lkn s LYS 57 CO 0.22 -0.14 -0.05 0.71 -0.36 0.00 0.00 175.35 175.73 1lkn s TYR 58 N 1.25 2.05 -0.34 4.03 2.02 0.05 -4.98 117.35 121.42 1lkn s TYR 58 Ca -0.08 -1.45 -0.14 0.00 -0.37 0.00 0.00 57.07 55.04 1lkn s TYR 58 Cb -0.06 -1.45 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1lkn s TYR 58 CO -0.13 -0.71 0.28 0.14 -1.57 0.00 0.00 175.55 173.56 1lkn s VAL 59 N 1.51 5.25 -0.19 0.71 -7.23 -1.26 -1.57 120.40 117.62 1lkn s VAL 59 Ca -0.03 -0.17 0.01 0.00 -1.81 0.00 0.00 61.98 59.99 1lkn s VAL 59 Cb -0.17 -3.76 0.03 0.00 0.56 0.00 0.00 36.38 33.04 1lkn s VAL 59 CO -0.07 -0.05 -0.16 0.27 -0.31 0.00 0.00 175.10 174.78 1lkn s ILE 60 N 1.80 1.97 -0.01 -0.62 -4.36 -1.08 -4.95 121.20 113.95 1lkn s ILE 60 Ca 0.08 -1.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.42 1lkn s ILE 60 Cb -0.17 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.67 1lkn s ILE 60 CO 0.11 0.37 0.00 -0.70 0.24 0.00 0.00 174.94 174.96 1lkn s GLU 61 N 1.29 0.06 0.00 0.37 2.12 -1.26 -2.78 118.70 118.50 1lkn s GLU 61 Ca 0.01 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.39 1lkn s GLU 61 Cb -0.15 -0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.09 1lkn s GLU 61 CO -0.11 -0.05 0.00 1.17 -0.54 0.00 0.00 175.26 175.74 1lkn n LYS 62 N 3.48 0.00 -2.86 4.30 0.00 -1.14 -4.08 118.16 117.86 1lkn n LYS 62 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.03 1lkn n LYS 62 Cb 0.56 -0.14 0.05 0.00 0.00 0.00 0.00 35.03 35.50 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 1.51 -0.03 3.14 3.14 0.00 -0.98 -4.97 105.19 107.00 1lkn n GLY 63 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.77 -0.29 0.10 1.61 -4.77 -1.24 -3.90 116.67 104.42 1lkn s ASP 64 Ca 0.02 0.55 0.09 0.00 -3.30 0.00 0.00 52.55 49.91 1lkn s ASP 64 Cb -0.01 0.53 -0.04 0.00 -1.09 0.00 0.00 42.92 42.31 1lkn s ASP 64 CO 0.43 -0.11 -0.22 -1.48 0.70 0.00 0.00 175.17 174.48 1lkn s LEU 65 N 0.44 2.48 0.05 2.11 0.05 -0.28 -0.76 118.68 122.77 1lkn s LEU 65 Ca -0.02 -0.62 0.02 0.00 0.05 0.00 0.00 54.13 53.56 1lkn s LEU 65 Cb -0.04 -1.39 -0.03 0.00 -2.05 0.00 0.00 46.19 42.68 1lkn s LEU 65 CO -0.02 0.20 -0.07 -0.69 -0.55 0.00 0.00 176.35 175.21 1lkn s VAL 66 N -1.04 0.54 0.02 1.48 1.01 -1.18 -2.66 120.40 118.57 1lkn s VAL 66 Ca 0.15 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 60.87 1lkn s VAL 66 Cb -0.10 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 1lkn s VAL 66 CO 0.07 -0.47 0.27 -0.89 0.00 0.00 0.00 175.10 174.08 1lkn s THR 67 N -1.74 5.31 -0.02 3.92 2.01 -1.24 -3.79 115.64 120.09 1lkn s THR 67 Ca -0.07 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1lkn s THR 67 Cb -0.08 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.89 1lkn s THR 67 CO -0.01 0.32 0.01 -0.36 -0.69 0.00 0.00 174.62 173.90 1lkn s PHE 68 N -1.34 0.21 0.33 4.92 0.08 -1.14 -4.05 117.98 116.98 1lkn s PHE 68 Ca 0.29 0.04 -0.14 0.00 0.12 0.00 0.00 56.93 57.24 1lkn s PHE 68 Cb -0.13 -0.33 -0.09 0.00 -0.57 0.00 0.00 43.02 41.90 1lkn s PHE 68 CO 0.18 -0.11 0.73 -1.25 -0.10 0.00 0.00 175.22 174.67 1lkn s PRO 69 N 0.96 3.96 0.09 0.24 0.04 -1.26 -3.24 135.00 135.78 1lkn s PRO 69 Ca -0.09 0.61 -0.34 0.00 0.04 0.00 0.00 61.00 61.22 1lkn s PRO 69 Cb -0.13 -2.44 -0.13 0.00 0.04 0.00 0.00 34.50 31.84 1lkn s PRO 69 CO -0.02 0.14 1.67 1.63 0.04 0.00 0.00 177.00 180.47 1lkn n LYS 70 N -0.47 2.17 0.00 4.56 5.02 -1.26 -1.24 118.16 126.93 1lkn n LYS 70 Ca 0.03 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 1lkn n LYS 70 Cb 0.53 -2.58 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 1lkn n LYS 70 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lkn n GLY 71 N 3.72 2.36 3.52 0.72 0.00 -0.44 -4.87 105.19 110.19 1lkn n GLY 71 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.15 -4.59 0.99 7.94 -0.37 -3.94 117.00 116.88 1lkn n LEU 72 Ca 0.00 -0.75 -0.42 0.00 -1.11 0.00 0.00 56.01 53.73 1lkn n LEU 72 Cb 0.00 -0.95 -0.06 0.00 0.53 0.00 0.00 43.42 42.94 1lkn n LEU 72 CO 0.00 -1.73 0.47 -0.60 -1.11 0.00 0.00 177.39 174.42 1lkn s ARG 73 N 7.83 3.78 0.11 1.96 3.52 -1.26 -2.29 118.95 132.59 1lkn s ARG 73 Ca 1.19 0.24 -0.14 0.00 -0.13 0.00 0.00 55.73 56.90 1lkn s ARG 73 Cb -0.65 -3.78 0.02 0.00 -1.56 0.00 0.00 34.95 28.98 1lkn s ARG 73 CO 0.40 -0.73 0.33 0.00 -0.81 0.00 0.00 175.30 174.49 1lkn s ARG 75 N -3.71 4.04 0.03 0.00 3.00 -1.09 -3.01 118.95 118.20 1lkn s ARG 75 Ca 0.03 0.55 0.03 0.00 -1.00 0.00 0.00 55.73 55.34 1lkn s ARG 75 Cb 0.03 -3.22 -0.04 0.00 0.00 0.00 0.00 34.95 31.72 1lkn s ARG 75 CO -0.11 0.66 -0.03 -1.58 0.00 0.00 0.00 175.30 174.24 1lkn s TRP 76 N -1.10 2.96 -0.19 5.12 0.52 0.34 -3.26 118.94 123.33 1lkn s TRP 76 Ca 0.26 -0.01 -0.04 0.00 0.02 0.00 0.00 56.10 56.33 1lkn s TRP 76 Cb -0.18 -1.59 0.09 0.00 -1.15 0.00 0.00 33.47 30.64 1lkn s TRP 76 CO 0.16 0.43 0.28 0.15 0.02 0.00 0.00 176.95 177.99 1lkn s LYS 77 N -1.75 0.22 -0.26 4.98 1.02 -1.24 -0.66 119.74 122.05 1lkn s LYS 77 Ca 0.20 0.49 -0.11 0.00 0.02 0.00 0.00 55.97 56.58 1lkn s LYS 77 Cb -0.11 -0.59 -0.05 0.00 -0.52 0.00 0.00 37.83 36.56 1lkn s LYS 77 CO 0.12 -0.51 0.18 0.08 -0.92 0.00 0.00 175.35 174.29 1lkn s VAL 78 N 2.42 5.33 -0.11 3.17 1.01 0.57 -1.86 120.40 130.93 1lkn s VAL 78 Ca 0.06 0.18 0.16 0.00 0.00 0.00 0.00 61.98 62.38 1lkn s VAL 78 Cb -0.14 -3.52 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 1lkn s VAL 78 CO -0.12 0.30 0.86 -0.07 0.00 0.00 0.00 175.10 176.07 1lkn h LEU 79 N 7.93 0.00 -7.64 3.92 3.38 -1.11 -3.24 115.31 118.56 1lkn h LEU 79 Ca -0.37 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.43 1lkn h LEU 79 Cb 1.18 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.68 1lkn h LEU 79 CO 0.61 0.63 -0.52 -1.61 0.09 0.00 0.00 178.44 177.63 1lkn s GLU 80 N -2.88 0.28 -0.38 1.13 0.41 -1.25 -4.82 118.70 111.20 1lkn s GLU 80 Ca -0.03 0.01 -0.35 0.00 -0.41 0.00 0.00 54.97 54.19 1lkn s GLU 80 Cb 0.09 0.13 -0.15 0.00 -1.78 0.00 0.00 34.13 32.41 1lkn s GLU 80 CO 0.81 -0.05 1.29 -2.30 -0.49 0.00 0.00 175.26 174.52 1lkn n PRO 81 N 2.48 0.00 -4.13 0.39 -0.02 -1.26 -3.52 135.00 128.93 1lkn n PRO 81 Ca -0.16 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.96 1lkn n PRO 81 Cb 0.58 -1.13 -0.08 0.00 -0.02 0.00 0.00 33.50 32.86 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 2.75 4.89 -0.17 -1.45 0.11 0.66 -3.84 120.40 123.34 1lkn s VAL 82 Ca 0.81 -0.07 -0.00 0.00 -2.93 0.00 0.00 61.98 59.79 1lkn s VAL 82 Cb -1.13 -3.11 0.04 0.00 -1.53 0.00 0.00 36.38 30.65 1lkn s VAL 82 CO 0.59 0.58 -0.07 -0.13 -3.33 0.00 0.00 175.10 172.74 1lkn s ARG 83 N -1.05 1.59 0.15 1.54 1.81 0.14 -0.86 118.95 122.27 1lkn s ARG 83 Ca 0.15 -0.60 0.09 0.00 -1.72 0.00 0.00 55.73 53.65 1lkn s ARG 83 Cb -0.12 -2.11 -0.04 0.00 -0.45 0.00 0.00 34.95 32.23 1lkn s ARG 83 CO 0.05 -0.43 -0.20 0.21 -0.68 0.00 0.00 175.30 174.24 1lkn s LYS 84 N 1.57 1.28 0.30 3.54 2.20 -0.08 0.78 119.74 129.34 1lkn s LYS 84 Ca 0.00 -1.36 0.07 0.00 -0.36 0.00 0.00 55.97 54.32 1lkn s LYS 84 Cb -0.15 -1.45 -0.03 0.00 -1.51 0.00 0.00 37.83 34.69 1lkn s LYS 84 CO -0.08 0.31 0.26 -1.01 -0.36 0.00 0.00 175.35 174.47 1lkn s HIS 85 N -1.72 2.98 0.17 4.03 3.76 0.22 -0.89 115.29 123.84 1lkn s HIS 85 Ca 0.14 -0.23 0.10 0.00 -0.15 0.00 0.00 55.06 54.93 1lkn s HIS 85 Cb -0.07 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 1lkn s HIS 85 CO 0.06 0.31 -0.20 0.71 -0.85 0.00 0.00 174.74 174.77 1lkn s TYR 86 N -2.24 2.42 -0.37 1.40 1.51 -1.25 -1.81 117.35 117.01 1lkn s TYR 86 Ca 0.38 -0.31 0.05 0.00 -1.01 0.00 0.00 57.07 56.17 1lkn s TYR 86 Cb -0.07 -1.22 0.32 0.00 -0.11 0.00 0.00 41.96 40.88 1lkn s TYR 86 CO 0.26 0.46 1.29 -1.71 -1.11 0.00 0.00 175.55 174.75 1lkn n ASN 87 N 0.39 -1.63 -4.69 2.29 5.15 0.28 -4.44 115.26 112.60 1lkn n ASN 87 Ca -0.13 -2.50 -0.31 0.00 -0.60 0.00 0.00 54.58 51.04 1lkn n ASN 87 Cb 0.55 1.41 -0.08 0.00 -0.53 0.00 0.00 39.78 41.13 1lkn n ASN 87 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1lkn s LEU 88 N -1.51 3.51 0.00 1.20 -0.00 -1.25 -1.28 118.68 119.35 1lkn s LEU 88 Ca 0.21 -0.10 0.00 0.00 -0.00 0.00 0.00 54.13 54.24 1lkn s LEU 88 Cb 0.29 -2.16 0.00 0.00 -0.00 0.00 0.00 46.19 44.32 1lkn s LEU 88 CO -0.15 0.21 0.00 2.22 -0.00 0.00 0.00 176.35 178.64