#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6k n PHE 2 N 0.00 0.00 -2.49 3.17 3.72 -1.26 -4.17 117.46 116.43 1d6k n PHE 2 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1d6k n PHE 2 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1d6k n PHE 2 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1d6k n THR 3 N 0.00-11.32 -3.24 4.37 -1.04 -1.26 -4.93 114.28 96.86 1d6k n THR 3 Ca 0.00 2.11 -0.45 0.00 -2.04 0.00 0.00 64.05 63.67 1d6k n THR 3 Cb 0.00 -6.34 -0.01 0.00 -1.82 0.00 0.00 70.33 62.16 1d6k n THR 3 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1d6k s ILE 4 N -0.92 5.63 -0.03 12.58 -1.09 -0.02 -4.86 121.20 132.48 1d6k s ILE 4 Ca -0.15 -2.85 -0.30 0.00 -2.23 0.00 0.00 60.65 55.12 1d6k s ILE 4 Cb 0.01 -4.63 -0.08 0.00 -1.58 0.00 0.00 42.46 36.18 1d6k s ILE 4 CO 0.69 -1.23 2.03 0.20 -1.23 0.00 0.00 174.94 175.40 1d6k s ASN 5 N 2.01 6.21 0.00 3.58 0.02 -1.26 -3.14 114.94 122.36 1d6k s ASN 5 Ca 0.29 2.48 0.00 0.00 -1.02 0.00 0.00 52.86 54.61 1d6k s ASN 5 Cb -0.08 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.66 1d6k s ASN 5 CO -0.07 -1.28 0.00 0.00 0.02 0.00 0.00 177.10 175.77 1d6k n ALA 6 N 8.55 0.00 -3.56 0.60 0.00 -0.69 -4.42 120.51 121.00 1d6k n ALA 6 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 1d6k n ALA 6 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 1d6k n ALA 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1d6k s GLU 7 N 0.59 0.76 0.41 0.00 -1.05 -0.58 -1.59 118.70 117.23 1d6k s GLU 7 Ca 0.00 0.91 -0.26 0.00 -0.15 0.00 0.00 54.97 55.46 1d6k s GLU 7 Cb 0.00 0.37 -0.09 0.00 -0.44 0.00 0.00 34.13 33.96 1d6k s GLU 7 CO 0.00 -0.09 1.39 0.14 0.95 0.00 0.00 175.26 177.65 1d6k s VAL 8 N 0.37 2.30 0.00 1.83 -7.23 -1.26 -0.19 120.40 116.22 1d6k s VAL 8 Ca -0.00 0.28 -0.00 0.00 -1.81 0.00 0.00 61.98 60.45 1d6k s VAL 8 Cb -0.05 -3.17 -0.01 0.00 0.56 0.00 0.00 36.38 33.72 1d6k s VAL 8 CO 0.01 0.05 0.00 0.00 -0.31 0.00 0.00 175.10 174.85 1d6k s ARG 9 N -2.25 0.12 0.00 4.82 1.70 -0.30 -4.79 118.95 118.25 1d6k s ARG 9 Ca 0.57 -0.19 0.00 0.00 -0.47 0.00 0.00 55.73 55.64 1d6k s ARG 9 Cb -0.42 0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.00 1d6k s ARG 9 CO 0.55 -0.02 0.64 1.63 -1.08 0.00 0.00 175.30 177.02 1d6k n LYS 10 N 2.58 0.81 0.00 3.89 4.76 -1.26 -4.23 118.16 124.71 1d6k n LYS 10 Ca -0.16 -0.84 0.00 0.00 -2.87 0.00 0.00 58.31 54.44 1d6k n LYS 10 Cb 0.58 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 32.88 1d6k n LYS 10 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1d6k n GLU 11 N -0.20 0.97 -0.36 1.97 -0.58 -1.26 -4.63 120.64 116.55 1d6k n GLU 11 Ca 0.00 0.00 0.26 0.00 -0.42 0.00 0.00 57.16 57.00 1d6k n GLU 11 Cb 0.18 -1.07 0.53 0.00 -0.57 0.00 0.00 31.44 30.51 1d6k n GLU 11 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1d6k h GLN 12 N 0.00 0.31 0.00 3.49 -0.00 -1.95 0.60 115.11 117.57 1d6k h GLN 12 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1d6k h GLN 12 Cb 0.07 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1d6k h GLN 12 CO 0.00 0.20 0.00 0.41 -0.00 0.00 0.00 178.83 179.44 1d6k n GLY 13 N -1.44 0.00 0.00 0.06 0.00 -1.26 -4.27 105.19 98.28 1d6k n GLY 13 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1d6k n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d6k n LYS 14 N -0.65 0.00 -0.34 1.61 4.76 -1.25 -5.01 118.16 117.28 1d6k n LYS 14 Ca 0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 1d6k n LYS 14 Cb 0.00 0.00 0.19 0.00 -1.84 0.00 0.00 35.03 33.38 1d6k n LYS 14 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1d6k h GLY 15 N 0.00 1.47 0.38 0.72 0.00 -1.73 -2.10 103.07 101.81 1d6k h GLY 15 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1d6k h GLY 15 CO 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 176.54 176.72 1d6k h ALA 16 N 1.47 0.02 0.00 3.60 0.00 -1.09 -2.96 119.26 120.30 1d6k h ALA 16 Ca 0.43 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1d6k h ALA 16 Cb 0.31 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1d6k h ALA 16 CO -0.22 -0.12 -0.00 0.66 0.00 0.00 0.00 179.25 179.57 1d6k h SER 17 N -0.60 0.00 0.26 0.00 4.64 -1.59 -0.74 113.55 115.52 1d6k h SER 17 Ca -0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.00 1d6k h SER 17 Cb 0.71 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.74 1d6k h SER 17 CO 0.01 0.00 -2.01 -2.11 -0.87 0.00 0.00 176.83 171.85 1d6k n ARG 18 N -3.10 0.66 0.08 4.77 -4.01 -0.85 -3.18 116.66 111.02 1d6k n ARG 18 Ca -0.03 0.14 -0.19 0.00 -1.04 0.00 0.00 57.85 56.73 1d6k n ARG 18 Cb 0.10 -1.66 -0.10 0.00 -3.04 0.00 0.00 32.46 27.75 1d6k n ARG 18 CO 0.00 0.00 0.00 0.07 -3.04 0.00 0.00 177.63 174.66 1d6k h ARG 19 N 0.00 0.57 0.68 2.89 0.11 -1.12 -1.47 114.38 116.03 1d6k h ARG 19 Ca -0.39 -0.69 -0.03 0.00 0.10 0.00 0.00 59.98 58.96 1d6k h ARG 19 Cb 2.07 0.22 -0.00 0.00 1.11 0.00 0.00 29.97 33.37 1d6k h ARG 19 CO 0.05 1.29 -0.39 -0.07 0.10 0.00 0.00 179.97 180.95 1d6k h LEU 20 N 0.28 -0.97 -2.50 0.08 4.07 -1.36 -1.93 115.31 112.98 1d6k h LEU 20 Ca -0.14 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.86 1d6k h LEU 20 Cb 1.79 0.28 -0.00 0.00 1.08 0.00 0.00 40.66 43.81 1d6k h LEU 20 CO 0.21 -0.62 -0.01 0.08 -1.08 0.00 0.00 178.44 177.02 1d6k h ARG 21 N -1.00 0.00 0.00 1.13 0.11 -1.49 -1.11 114.38 112.01 1d6k h ARG 21 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1d6k h ARG 21 Cb 0.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.88 1d6k h ARG 21 CO 0.11 0.01 0.00 0.00 0.10 0.00 0.00 179.97 180.18 1d6k h ALA 22 N 1.99 1.00 -3.00 0.08 0.00 -0.50 -3.37 119.26 115.46 1d6k h ALA 22 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1d6k h ALA 22 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1d6k h ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1d6k n ALA 23 N -1.81 0.00 -0.39 0.00 0.00 -0.71 -5.04 120.51 112.55 1d6k n ALA 23 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1d6k n ALA 23 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1d6k n ALA 23 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1d6k n ASN 24 N -0.53 0.00 -4.16 0.00 2.04 -0.86 -5.11 115.26 106.64 1d6k n ASN 24 Ca 0.00 -0.20 -0.30 0.00 -0.44 0.00 0.00 54.58 53.65 1d6k n ASN 24 Cb 0.00 0.00 0.19 0.00 -2.53 0.00 0.00 39.78 37.44 1d6k n ASN 24 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1d6k s LYS 25 N 0.00 0.19 -0.01 -3.83 -0.14 -0.50 -3.66 119.74 111.80 1d6k s LYS 25 Ca 0.00 -0.18 -0.29 0.00 -1.36 0.00 0.00 55.97 54.14 1d6k s LYS 25 Cb 0.00 -1.77 0.08 0.00 -1.68 0.00 0.00 37.83 34.45 1d6k s LYS 25 CO 0.00 -2.75 0.70 -0.59 -0.76 0.00 0.00 175.35 171.95 1d6k s PHE 26 N -3.51 -0.59 0.56 3.18 -0.71 -0.58 -3.01 117.98 113.31 1d6k s PHE 26 Ca 0.71 0.84 -0.18 0.00 -1.04 0.00 0.00 56.93 57.27 1d6k s PHE 26 Cb -0.08 0.46 -0.05 0.00 -1.21 0.00 0.00 43.02 42.14 1d6k s PHE 26 CO 0.54 -0.64 1.06 -1.25 -1.34 0.00 0.00 175.22 173.59 1d6k s PRO 27 N -1.91 3.45 0.36 1.99 0.04 -1.26 -3.26 135.00 134.41 1d6k s PRO 27 Ca -0.06 1.32 0.07 0.00 0.04 0.00 0.00 61.00 62.37 1d6k s PRO 27 Cb -0.00 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1d6k s PRO 27 CO 0.03 -0.72 0.25 0.00 0.04 0.00 0.00 177.00 176.60 1d6k s ALA 28 N -2.20 2.23 0.07 8.56 0.00 -0.83 -3.85 121.76 125.74 1d6k s ALA 28 Ca 0.66 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1d6k s ALA 28 Cb -0.17 1.29 -0.03 0.00 0.00 0.00 0.00 23.12 24.20 1d6k s ALA 28 CO 0.30 -0.58 -0.06 -1.50 0.00 0.00 0.00 175.76 173.92 1d6k s ILE 29 N -3.33 0.53 -0.42 0.00 1.10 -0.95 -2.75 121.20 115.39 1d6k s ILE 29 Ca 0.36 -1.58 0.02 0.00 -0.51 0.00 0.00 60.65 58.94 1d6k s ILE 29 Cb 0.02 -1.22 0.12 0.00 0.15 0.00 0.00 42.46 41.53 1d6k s ILE 29 CO 0.25 -0.71 0.19 -0.63 -2.11 0.00 0.00 174.94 171.93 1d6k s ILE 30 N -2.82 1.62 0.30 2.00 1.01 -0.64 -1.09 121.20 121.59 1d6k s ILE 30 Ca 0.02 -2.44 0.04 0.00 0.00 0.00 0.00 60.65 58.27 1d6k s ILE 30 Cb -0.00 -2.16 0.04 0.00 0.01 0.00 0.00 42.46 40.35 1d6k s ILE 30 CO -0.04 -0.80 0.32 0.00 0.00 0.00 0.00 174.94 174.43 1d6k n TYR 31 N 3.81 -1.77 0.00 3.97 0.18 -0.30 -0.90 117.16 122.15 1d6k n TYR 31 Ca 0.05 -1.20 0.00 0.00 1.88 0.00 0.00 57.90 58.63 1d6k n TYR 31 Cb 0.36 -0.27 0.00 0.00 -0.38 0.00 0.00 39.34 39.06 1d6k n TYR 31 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1d6k n GLY 32 N 1.31 0.00 3.39 -7.48 0.00 -1.26 -0.85 105.19 100.30 1d6k n GLY 32 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1d6k n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d6k n GLY 33 N 0.00 -0.48 0.00 -0.02 0.00 -1.26 -4.78 105.19 98.65 1d6k n GLY 33 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1d6k n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d6k n LYS 34 N -3.75 2.49 0.00 1.61 4.01 -1.26 -4.90 118.16 116.37 1d6k n LYS 34 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1d6k n LYS 34 Cb 0.54 -0.75 0.00 0.00 -0.51 0.00 0.00 35.03 34.31 1d6k n LYS 34 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1d6k n GLU 35 N -1.00 0.34 -1.43 1.97 0.28 -1.26 -5.14 120.64 114.40 1d6k n GLU 35 Ca 0.00 -0.50 0.06 0.00 -0.16 0.00 0.00 57.16 56.56 1d6k n GLU 35 Cb 0.13 -0.61 -0.03 0.00 1.43 0.00 0.00 31.44 32.35 1d6k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1d6k n ALA 36 N -0.07 -2.43 -2.24 -1.84 0.00 -1.26 -5.06 120.51 107.60 1d6k n ALA 36 Ca 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 53.44 53.99 1d6k n ALA 36 Cb 0.35 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.39 1d6k n ALA 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1d6k n PRO 37 N -3.10 0.40 -3.31 0.00 -0.04 -1.26 -4.90 135.00 122.79 1d6k n PRO 37 Ca -0.03 -0.59 -0.10 0.00 -0.04 0.00 0.00 63.50 62.74 1d6k n PRO 37 Cb 0.52 -0.16 -0.06 0.00 -0.04 0.00 0.00 33.50 33.76 1d6k n PRO 37 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1d6k s LEU 38 N 0.00 -0.70 0.19 1.53 2.96 -0.07 -4.95 118.68 117.64 1d6k s LEU 38 Ca 0.15 -0.60 -0.31 0.00 -0.22 0.00 0.00 54.13 53.15 1d6k s LEU 38 Cb -0.01 1.04 -0.09 0.00 0.50 0.00 0.00 46.19 47.63 1d6k s LEU 38 CO 0.10 -0.33 1.42 0.00 -1.32 0.00 0.00 176.35 176.22 1d6k s ALA 39 N 2.34 3.62 0.01 5.97 0.00 -1.26 -1.62 121.76 130.82 1d6k s ALA 39 Ca 0.11 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.34 1d6k s ALA 39 Cb -0.12 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 1d6k s ALA 39 CO -0.25 -0.67 -0.09 0.96 0.00 0.00 0.00 175.76 175.70 1d6k s ILE 40 N 0.46 0.73 -0.37 0.00 -0.00 -1.11 -1.15 121.20 119.76 1d6k s ILE 40 Ca 0.62 -0.61 -0.19 0.00 -0.00 0.00 0.00 60.65 60.47 1d6k s ILE 40 Cb -0.40 -0.66 0.00 0.00 -0.00 0.00 0.00 42.46 41.41 1d6k s ILE 40 CO 0.37 0.05 0.53 -0.70 -0.00 0.00 0.00 174.94 175.20 1d6k s GLU 41 N -0.62 3.54 0.19 0.37 2.12 0.73 -1.96 118.70 123.07 1d6k s GLU 41 Ca 0.01 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.14 1d6k s GLU 41 Cb -0.05 -3.84 -0.05 0.00 0.26 0.00 0.00 34.13 30.45 1d6k s GLU 41 CO 0.00 -0.71 0.00 -0.48 -0.54 0.00 0.00 175.26 173.53 1d6k s LEU 42 N 2.45 2.13 0.11 2.70 2.34 -1.20 -1.53 118.68 125.67 1d6k s LEU 42 Ca 0.19 -1.19 -0.30 0.00 0.06 0.00 0.00 54.13 52.89 1d6k s LEU 42 Cb -0.15 -0.13 -0.06 0.00 -0.56 0.00 0.00 46.19 45.29 1d6k s LEU 42 CO 0.14 -0.55 1.11 -0.62 -1.06 0.00 0.00 176.35 175.37 1d6k s ASP 43 N -3.22 7.23 0.01 1.48 2.15 -1.26 -1.52 116.67 121.54 1d6k s ASP 43 Ca 0.26 1.98 -0.25 0.00 0.43 0.00 0.00 52.55 54.97 1d6k s ASP 43 Cb 0.06 -2.59 -0.19 0.00 -0.30 0.00 0.00 42.92 39.90 1d6k s ASP 43 CO 0.06 -0.30 1.40 -0.74 -0.17 0.00 0.00 175.17 175.41 1d6k h HIS 44 N 5.97 -0.02 -0.44 -5.34 -0.00 -1.86 -2.04 115.15 111.42 1d6k h HIS 44 Ca -0.43 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 59.93 1d6k h HIS 44 Cb 1.21 0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.61 1d6k h HIS 44 CO 0.65 0.32 0.21 0.22 -0.00 0.00 0.00 177.93 179.33 1d6k h ASP 45 N -0.37 0.54 0.00 3.26 3.58 -1.94 0.11 116.42 121.62 1d6k h ASP 45 Ca -0.00 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1d6k h ASP 45 Cb 0.35 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1d6k h ASP 45 CO 0.00 0.47 0.00 1.17 -2.88 0.00 0.00 179.24 178.01 1d6k n LYS 46 N -4.39 0.00 0.26 0.28 4.81 -1.23 -3.26 118.16 114.63 1d6k n LYS 46 Ca 0.03 0.31 0.15 0.00 -0.87 0.00 0.00 58.31 57.93 1d6k n LYS 46 Cb 0.12 -1.24 0.86 0.00 0.02 0.00 0.00 35.03 34.79 1d6k n LYS 46 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1d6k h VAL 47 N 0.00 0.56 0.08 3.15 3.04 -1.17 0.04 116.25 121.95 1d6k h VAL 47 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 1d6k h VAL 47 Cb 0.00 0.95 -0.03 0.00 -2.01 0.00 0.00 31.29 30.20 1d6k h VAL 47 CO 0.00 0.00 -0.35 -0.03 -1.01 0.00 0.00 177.57 176.18 1d6k h MET 48 N 0.00 -0.49 0.00 4.17 1.85 -0.88 0.11 114.93 119.69 1d6k h MET 48 Ca 0.03 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.15 1d6k h MET 48 Cb 0.16 0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.31 1d6k h MET 48 CO -0.00 -0.32 0.15 -0.97 -0.40 0.00 0.00 176.91 175.36 1d6k h ASN 49 N -0.50 0.00 0.00 1.39 -1.24 -0.97 -1.21 115.58 113.05 1d6k h ASN 49 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1d6k h ASN 49 Cb 0.51 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1d6k h ASN 49 CO -0.19 0.00 -0.04 0.24 -1.29 0.00 0.00 177.43 176.15 1d6k h MET 50 N 0.00 0.00 0.00 6.67 2.86 -0.94 -3.34 114.93 120.17 1d6k h MET 50 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1d6k h MET 50 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1d6k h MET 50 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1d6k n GLN 51 N -2.67 0.00 0.00 1.72 -0.00 0.26 -1.71 117.38 114.99 1d6k n GLN 51 Ca -0.01 0.38 0.11 0.00 -0.00 0.00 0.00 57.00 57.48 1d6k n GLN 51 Cb 0.02 -1.50 0.63 0.00 -0.00 0.00 0.00 30.24 29.39 1d6k n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1d6k n ALA 52 N -1.39 2.27 -2.39 2.61 0.00 -0.46 -4.66 120.51 116.48 1d6k n ALA 52 Ca 0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 1d6k n ALA 52 Cb 0.01 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 17.99 1d6k n ALA 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1d6k s LYS 53 N -2.16 1.40 0.42 0.00 0.00 -0.69 -5.05 119.74 113.66 1d6k s LYS 53 Ca 0.30 -1.59 0.23 0.00 0.00 0.00 0.00 55.97 54.91 1d6k s LYS 53 Cb 0.15 -1.31 0.73 0.00 0.00 0.00 0.00 37.83 37.40 1d6k s LYS 53 CO 0.28 0.24 1.74 0.00 0.00 0.00 0.00 175.35 177.61 1d6k h ALA 54 N 2.64 0.95 -0.02 0.59 0.00 -1.87 -2.68 119.26 118.87 1d6k h ALA 54 Ca -0.39 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1d6k h ALA 54 Cb 1.23 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1d6k h ALA 54 CO 0.59 0.28 0.14 0.93 0.00 0.00 0.00 179.25 181.19 1d6k h GLU 55 N 0.00 0.00 0.10 0.00 5.08 -1.93 -1.04 114.58 116.79 1d6k h GLU 55 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1d6k h GLU 55 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1d6k h GLU 55 CO 0.03 0.00 -0.05 0.35 -1.00 0.00 0.00 179.01 178.34 1d6k h PHE 56 N 0.00 -0.12 0.00 4.33 3.57 -1.68 -1.26 116.94 121.77 1d6k h PHE 56 Ca 0.01 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 1d6k h PHE 56 Cb 0.29 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1d6k h PHE 56 CO 0.00 0.35 -0.97 0.10 -2.23 0.00 0.00 178.31 175.56 1d6k h TYR 57 N -0.67 0.00 0.09 0.41 -0.00 -1.65 -3.31 116.97 111.84 1d6k h TYR 57 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 58.73 58.46 1d6k h TYR 57 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.26 1d6k h TYR 57 CO 0.09 0.87 -1.15 1.03 -0.00 0.00 0.00 178.16 178.99 1d6k h SER 58 N 0.00 0.41 -3.35 0.10 0.87 -1.32 -3.38 113.55 106.89 1d6k h SER 58 Ca -0.04 -0.41 -0.55 0.00 -1.23 0.00 0.00 61.79 59.56 1d6k h SER 58 Cb 1.70 -0.13 -0.34 0.00 -0.44 0.00 0.00 62.40 63.18 1d6k h SER 58 CO 0.11 1.29 -0.82 -1.61 -0.53 0.00 0.00 176.83 175.26 1d6k s GLU 59 N -2.81 1.93 0.45 2.24 2.02 -0.48 -5.04 118.70 117.01 1d6k s GLU 59 Ca -0.04 -0.47 -0.23 0.00 0.02 0.00 0.00 54.97 54.25 1d6k s GLU 59 Cb 0.08 -1.62 -0.10 0.00 0.10 0.00 0.00 34.13 32.59 1d6k s GLU 59 CO 0.87 -0.01 0.92 1.55 0.02 0.00 0.00 175.26 178.61 1d6k n VAL 60 N 3.99 2.50 -4.29 2.63 3.14 -1.26 -4.40 118.33 120.65 1d6k n VAL 60 Ca -0.21 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.43 1d6k n VAL 60 Cb 0.52 -1.05 -0.08 0.00 -1.06 0.00 0.00 33.84 32.17 1d6k n VAL 60 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1d6k s LEU 61 N -0.34 3.13 -0.40 6.55 1.43 0.32 -4.90 118.68 124.47 1d6k s LEU 61 Ca 0.65 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1d6k s LEU 61 Cb -0.54 -1.72 0.11 0.00 0.03 0.00 0.00 46.19 44.07 1d6k s LEU 61 CO 0.56 0.04 0.19 -0.89 0.23 0.00 0.00 176.35 176.48 1d6k s THR 62 N -2.07 3.24 -0.62 5.49 2.01 -1.26 -1.71 115.64 120.73 1d6k s THR 62 Ca 0.29 -2.03 -0.28 0.00 0.31 0.00 0.00 61.69 59.98 1d6k s THR 62 Cb -0.07 -3.21 0.03 0.00 0.01 0.00 0.00 72.50 69.25 1d6k s THR 62 CO 0.18 -0.66 1.21 -0.63 -0.69 0.00 0.00 174.62 174.03 1d6k s ILE 63 N 1.14 3.96 -1.15 1.82 -1.09 0.11 -0.84 121.20 125.15 1d6k s ILE 63 Ca 0.08 0.77 -0.14 0.00 -2.23 0.00 0.00 60.65 59.13 1d6k s ILE 63 Cb -0.22 -4.77 0.17 0.00 -1.58 0.00 0.00 42.46 36.06 1d6k s ILE 63 CO -0.04 -1.46 1.35 -0.69 -1.23 0.00 0.00 174.94 172.87 1d6k s VAL 64 N 5.11 5.06 -0.68 2.92 1.01 -1.19 -0.58 120.40 132.05 1d6k s VAL 64 Ca 0.41 -2.51 -0.27 0.00 0.00 0.00 0.00 61.98 59.61 1d6k s VAL 64 Cb -0.08 -4.86 0.00 0.00 0.00 0.00 0.00 36.38 31.44 1d6k s VAL 64 CO 0.23 -1.56 1.59 0.68 0.00 0.00 0.00 175.10 176.04 1d6k s VAL 65 N 1.54 3.53 -1.45 2.92 -7.23 0.63 -1.70 120.40 118.64 1d6k s VAL 65 Ca 0.40 0.26 -0.01 0.00 -1.81 0.00 0.00 61.98 60.82 1d6k s VAL 65 Cb -0.04 -4.41 0.01 0.00 0.56 0.00 0.00 36.38 32.50 1d6k s VAL 65 CO -0.02 -1.36 0.10 -0.67 -0.31 0.00 0.00 175.10 172.84 1d6k n ASP 66 N 11.19 -5.03 0.00 4.85 2.03 -0.62 -1.31 116.55 127.66 1d6k n ASP 66 Ca 0.13 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1d6k n ASP 66 Cb 0.51 -4.20 0.00 0.00 -0.72 0.00 0.00 41.12 36.71 1d6k n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d6k n GLY 67 N -1.00 0.38 3.63 0.27 0.00 -1.24 -5.07 105.19 102.16 1d6k n GLY 67 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1d6k n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d6k s LYS 68 N -0.97 4.01 -0.44 1.61 1.02 -0.42 -5.01 119.74 119.54 1d6k s LYS 68 Ca 0.00 -0.30 -0.14 0.00 0.02 0.00 0.00 55.97 55.55 1d6k s LYS 68 Cb 0.00 -3.48 0.05 0.00 -0.52 0.00 0.00 37.83 33.88 1d6k s LYS 68 CO 0.00 0.06 0.33 -1.21 -0.92 0.00 0.00 175.35 173.61 1d6k s GLU 69 N 1.04 2.91 -0.17 1.68 2.02 -1.26 -0.27 118.70 124.66 1d6k s GLU 69 Ca 0.07 -1.23 -0.02 0.00 0.02 0.00 0.00 54.97 53.80 1d6k s GLU 69 Cb -0.14 -4.00 -0.02 0.00 0.10 0.00 0.00 34.13 30.08 1d6k s GLU 69 CO 0.04 -0.90 -0.07 0.42 0.02 0.00 0.00 175.26 174.77 1d6k s ILE 70 N 1.62 3.42 -0.16 -1.63 1.09 0.25 -4.86 121.20 120.93 1d6k s ILE 70 Ca 0.04 -0.51 -0.24 0.00 -1.10 0.00 0.00 60.65 58.84 1d6k s ILE 70 Cb -0.22 -2.50 -0.02 0.00 -1.06 0.00 0.00 42.46 38.66 1d6k s ILE 70 CO 0.07 0.48 0.77 -0.54 -0.10 0.00 0.00 174.94 175.62 1d6k s LYS 71 N 0.72 4.30 0.12 2.79 -0.14 -1.26 0.08 119.74 126.34 1d6k s LYS 71 Ca -0.03 0.92 -0.13 0.00 -1.36 0.00 0.00 55.97 55.36 1d6k s LYS 71 Cb -0.15 -3.56 0.02 0.00 -1.68 0.00 0.00 37.83 32.46 1d6k s LYS 71 CO 0.02 -0.25 0.32 0.14 -0.76 0.00 0.00 175.35 174.82 1d6k s VAL 72 N 1.91 0.09 -0.03 3.17 -7.23 -0.69 -1.35 120.40 116.26 1d6k s VAL 72 Ca 0.36 -0.89 0.02 0.00 -1.81 0.00 0.00 61.98 59.67 1d6k s VAL 72 Cb -0.17 -1.32 0.01 0.00 0.56 0.00 0.00 36.38 35.46 1d6k s VAL 72 CO 0.13 -0.42 -0.08 -0.54 -0.31 0.00 0.00 175.10 173.88 1d6k s LYS 73 N -3.85 0.90 0.34 4.82 1.02 -0.69 -0.52 119.74 121.78 1d6k s LYS 73 Ca 0.05 -0.26 -0.29 0.00 0.02 0.00 0.00 55.97 55.50 1d6k s LYS 73 Cb 0.03 -0.85 -0.11 0.00 -0.52 0.00 0.00 37.83 36.38 1d6k s LYS 73 CO -0.10 0.08 1.40 0.00 -0.92 0.00 0.00 175.35 175.81 1d6k s ALA 74 N 0.30 3.55 0.00 5.17 0.00 -1.26 -0.47 121.76 129.06 1d6k s ALA 74 Ca -0.05 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1d6k s ALA 74 Cb -0.09 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1d6k s ALA 74 CO 0.00 -0.84 0.00 0.94 0.00 0.00 0.00 175.76 175.86 1d6k n GLN 75 N 0.80 3.27 -3.46 0.00 -0.06 -1.18 -4.81 117.38 111.94 1d6k n GLN 75 Ca 0.01 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.02 1d6k n GLN 75 Cb 0.40 -0.96 -0.03 0.00 -4.06 0.00 0.00 30.24 25.60 1d6k n GLN 75 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1d6k s ASP 76 N -2.71 -1.19 0.03 1.69 2.15 -1.26 -5.06 116.67 110.32 1d6k s ASP 76 Ca 0.00 1.28 -0.13 0.00 0.43 0.00 0.00 52.55 54.13 1d6k s ASP 76 Cb 0.00 2.21 -0.06 0.00 -0.30 0.00 0.00 42.92 44.78 1d6k s ASP 76 CO 0.00 -0.23 0.41 0.68 -0.17 0.00 0.00 175.17 175.86 1d6k s VAL 77 N 2.87 5.05 -0.33 1.11 -7.23 -1.26 -1.45 120.40 119.15 1d6k s VAL 77 Ca 0.04 0.72 0.03 0.00 -1.81 0.00 0.00 61.98 60.95 1d6k s VAL 77 Cb -0.13 -3.69 0.10 0.00 0.56 0.00 0.00 36.38 33.22 1d6k s VAL 77 CO -0.19 0.48 0.05 -1.58 -0.31 0.00 0.00 175.10 173.54 1d6k s GLN 78 N -1.36 1.40 0.79 4.82 0.74 0.39 -4.99 119.66 121.46 1d6k s GLN 78 Ca 0.27 -1.70 -0.12 0.00 0.05 0.00 0.00 55.36 53.86 1d6k s GLN 78 Cb -0.16 -2.98 0.07 0.00 1.10 0.00 0.00 33.01 31.04 1d6k s GLN 78 CO 0.15 -0.92 1.11 1.03 -0.55 0.00 0.00 175.29 176.11 1d6k s ARG 79 N 1.04 2.12 0.92 1.67 1.81 -1.26 -0.51 118.95 124.73 1d6k s ARG 79 Ca 0.09 0.49 -0.11 0.00 -1.72 0.00 0.00 55.73 54.49 1d6k s ARG 79 Cb -0.19 -1.93 0.12 0.00 -0.45 0.00 0.00 34.95 32.50 1d6k s ARG 79 CO -0.10 -1.56 1.00 0.72 -0.68 0.00 0.00 175.30 174.67 1d6k n HIS 80 N -3.37 0.42 0.15 -0.53 8.25 -0.04 -4.30 115.22 115.80 1d6k n HIS 80 Ca 0.07 0.37 0.09 0.00 -0.26 0.00 0.00 57.72 57.99 1d6k n HIS 80 Cb 0.57 -1.96 0.07 0.00 1.12 0.00 0.00 29.99 29.79 1d6k n HIS 80 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1d6k h PRO 81 N -1.75 0.00 0.00 -0.41 0.13 -1.97 -3.39 132.00 124.61 1d6k h PRO 81 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1d6k h PRO 81 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1d6k h PRO 81 CO 0.40 0.10 0.00 0.98 -0.23 0.00 0.00 178.00 179.25 1d6k n TYR 82 N -2.95 0.00 -4.14 1.56 9.36 -1.26 -5.12 117.16 114.61 1d6k n TYR 82 Ca 0.01 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.12 1d6k n TYR 82 Cb 0.59 0.07 -0.10 0.00 -0.63 0.00 0.00 39.34 39.27 1d6k n TYR 82 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1d6k s LYS 83 N 0.00 0.75 -0.83 2.98 3.01 -1.26 -5.06 119.74 119.33 1d6k s LYS 83 Ca 0.00 -1.17 -0.08 0.00 -1.01 0.00 0.00 55.97 53.72 1d6k s LYS 83 Cb 0.00 -0.24 -0.16 0.00 -1.01 0.00 0.00 37.83 36.42 1d6k s LYS 83 CO 0.00 0.00 3.10 -0.35 0.51 0.00 0.00 175.35 178.62 1d6k n PRO 84 N 0.40 2.73 -3.09 -1.68 -0.04 -1.26 -4.21 135.00 127.86 1d6k n PRO 84 Ca -0.15 -1.56 -0.13 0.00 -0.04 0.00 0.00 63.50 61.62 1d6k n PRO 84 Cb 0.59 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 1d6k n PRO 84 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1d6k n LYS 85 N 3.15 1.25 -4.40 0.54 4.01 -1.26 -5.00 118.16 116.45 1d6k n LYS 85 Ca 0.58 -1.53 -0.21 0.00 -0.51 0.00 0.00 58.31 56.65 1d6k n LYS 85 Cb 0.51 0.54 -0.10 0.00 -0.51 0.00 0.00 35.03 35.47 1d6k n LYS 85 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1d6k s LEU 86 N 0.00 2.54 0.00 -0.35 1.43 -1.26 -0.86 118.68 120.18 1d6k s LEU 86 Ca 0.03 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 1d6k s LEU 86 Cb 0.00 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.49 1d6k s LEU 86 CO 0.02 -0.21 0.00 0.00 0.23 0.00 0.00 176.35 176.39 1d6k n GLN 87 N -0.51 2.40 -3.61 1.70 6.02 0.33 -4.31 117.38 119.39 1d6k n GLN 87 Ca -0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.89 1d6k n GLN 87 Cb 0.62 -0.80 -0.02 0.00 1.02 0.00 0.00 30.24 31.05 1d6k n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1d6k s HIS 88 N -1.42 -0.11 0.02 1.08 5.04 -0.98 -4.68 115.29 114.24 1d6k s HIS 88 Ca 0.00 0.08 -0.10 0.00 -1.54 0.00 0.00 55.06 53.50 1d6k s HIS 88 Cb 0.00 0.51 0.01 0.00 0.04 0.00 0.00 32.58 33.14 1d6k s HIS 88 CO 0.00 -0.16 0.20 0.42 -2.34 0.00 0.00 174.74 172.86 1d6k s ILE 89 N -2.22 0.09 0.23 0.89 1.01 -1.25 -0.46 121.20 119.49 1d6k s ILE 89 Ca 0.09 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 60.09 1d6k s ILE 89 Cb -0.01 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 1d6k s ILE 89 CO -0.04 -0.41 -0.17 1.51 0.00 0.00 0.00 174.94 175.82 1d6k s ASP 90 N -1.74 2.94 0.09 3.58 1.47 -0.53 -2.23 116.67 120.25 1d6k s ASP 90 Ca -0.09 -1.00 0.03 0.00 1.18 0.00 0.00 52.55 52.66 1d6k s ASP 90 Cb -0.04 -0.20 -0.04 0.00 -0.34 0.00 0.00 42.92 42.31 1d6k s ASP 90 CO -0.01 -0.08 -0.08 -0.36 0.68 0.00 0.00 175.17 175.32 1d6k s PHE 91 N -2.69 0.94 0.07 2.11 0.40 -0.25 -3.11 117.98 115.45 1d6k s PHE 91 Ca 0.24 -0.75 0.06 0.00 -0.60 0.00 0.00 56.93 55.89 1d6k s PHE 91 Cb -0.03 -0.53 -0.04 0.00 0.51 0.00 0.00 43.02 42.94 1d6k s PHE 91 CO 0.10 -0.07 -0.12 0.14 0.70 0.00 0.00 175.22 175.96 1d6k s VAL 92 N -2.84 3.21 -0.85 -0.44 -7.23 0.39 -1.15 120.40 111.49 1d6k s VAL 92 Ca 0.06 -1.17 -0.21 0.00 -1.81 0.00 0.00 61.98 58.86 1d6k s VAL 92 Cb -0.00 -2.44 -0.20 0.00 0.56 0.00 0.00 36.38 34.30 1d6k s VAL 92 CO -0.02 0.23 2.34 0.54 -0.31 0.00 0.00 175.10 177.88 1d6k n ARG 93 N 1.12 0.39 0.00 4.82 5.12 -0.03 -1.70 116.66 126.38 1d6k n ARG 93 Ca -0.15 -0.54 0.06 0.00 -1.93 0.00 0.00 57.85 55.29 1d6k n ARG 93 Cb 0.52 -2.80 0.36 0.00 -1.16 0.00 0.00 32.46 29.38 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70