#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 -1.88 1.12 3.72 -1.26 -3.98 117.46 115.18 1d6k n PHE 2 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 1d6k n PHE 2 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 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 -9.01 -3.50 4.37 -1.04 -1.26 -4.96 114.28 98.88 1d6k n THR 3 Ca 0.00 1.90 -0.41 0.00 -2.04 0.00 0.00 64.05 63.50 1d6k n THR 3 Cb 0.00 -4.98 -0.04 0.00 -1.82 0.00 0.00 70.33 63.49 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 -0.37 5.02 -0.02 12.58 -1.09 0.25 -4.87 121.20 132.70 1d6k s ILE 4 Ca -0.03 -3.31 -0.30 0.00 -2.23 0.00 0.00 60.65 54.79 1d6k s ILE 4 Cb 0.00 -4.09 -0.08 0.00 -1.58 0.00 0.00 42.46 36.71 1d6k s ILE 4 CO 0.08 -1.07 2.03 0.59 -1.23 0.00 0.00 174.94 175.34 1d6k n ASN 5 N 2.96 3.98 -0.22 3.58 4.13 -1.26 -3.19 115.26 125.23 1d6k n ASN 5 Ca 0.18 0.76 0.00 0.00 1.68 0.00 0.00 54.58 57.20 1d6k n ASN 5 Cb 0.40 -1.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.11 1d6k n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1d6k n ALA 6 N 8.39 0.00 -3.57 5.41 0.00 -0.70 -4.37 120.51 125.67 1d6k n ALA 6 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.52 1d6k n ALA 6 Cb 0.41 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 0.64 0.77 0.26 0.00 -1.05 -0.43 -1.63 118.70 117.26 1d6k s GLU 7 Ca 0.00 0.92 -0.30 0.00 -0.15 0.00 0.00 54.97 55.44 1d6k s GLU 7 Cb 0.00 0.38 -0.11 0.00 -0.44 0.00 0.00 34.13 33.96 1d6k s GLU 7 CO 0.00 -0.09 1.52 0.14 0.95 0.00 0.00 175.26 177.78 1d6k s VAL 8 N 0.35 2.40 0.16 1.83 -7.23 -1.26 -0.24 120.40 116.42 1d6k s VAL 8 Ca -0.00 0.33 0.07 0.00 -1.81 0.00 0.00 61.98 60.57 1d6k s VAL 8 Cb -0.05 -3.21 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 1d6k s VAL 8 CO 0.01 0.05 -0.15 0.00 -0.31 0.00 0.00 175.10 174.70 1d6k s ARG 9 N -0.21 1.18 0.00 4.82 1.70 0.00 -4.81 118.95 121.64 1d6k s ARG 9 Ca 0.62 -1.40 0.00 0.00 -0.47 0.00 0.00 55.73 54.48 1d6k s ARG 9 Cb -0.45 -1.05 0.00 0.00 -0.57 0.00 0.00 34.95 32.88 1d6k s ARG 9 CO 0.43 0.19 0.09 1.63 -1.08 0.00 0.00 175.30 176.57 1d6k n LYS 10 N 0.15 0.34 0.00 3.89 4.76 -1.26 -4.15 118.16 121.88 1d6k n LYS 10 Ca -0.12 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 1d6k n LYS 10 Cb 0.58 -0.49 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 1d6k n LYS 10 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1d6k n GLU 11 N -0.07 0.41 -0.32 1.97 0.00 -1.26 -4.47 120.64 116.89 1d6k n GLU 11 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 57.16 57.42 1d6k n GLU 11 Cb 0.13 -1.06 0.58 0.00 0.00 0.00 0.00 31.44 31.10 1d6k n GLU 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 1d6k h GLN 12 N 0.16 0.26 0.00 3.44 -0.00 -1.95 0.41 115.11 117.44 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 0.06 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1d6k h GLN 12 CO 0.00 0.17 0.68 0.78 -0.00 0.00 0.00 178.83 180.46 1d6k h GLY 13 N 0.27 0.00 0.00 0.06 0.00 -2.01 -3.40 103.07 97.99 1d6k h GLY 13 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1d6k h GLY 13 CO -0.22 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.60 1d6k n LYS 14 N -2.14 0.00 -0.15 4.80 4.76 -1.20 -5.02 118.16 119.21 1d6k n LYS 14 Ca -0.00 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.61 1d6k n LYS 14 Cb 0.69 0.00 0.55 0.00 -1.84 0.00 0.00 35.03 34.43 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 0.56 0.20 0.72 0.00 -1.75 -0.83 103.07 101.97 1d6k h GLY 15 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1d6k h GLY 15 CO 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 176.54 176.56 1d6k h ALA 16 N 1.65 -0.03 -0.06 3.60 0.00 -1.16 -2.90 119.26 120.36 1d6k h ALA 16 Ca 0.37 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1d6k h ALA 16 Cb 0.98 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1d6k h ALA 16 CO -0.10 -0.12 0.09 0.77 0.00 0.00 0.00 179.25 179.90 1d6k h SER 17 N -0.83 0.00 0.24 0.00 0.02 -1.40 -0.28 113.55 111.30 1d6k h SER 17 Ca -0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1d6k h SER 17 Cb 0.73 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 1d6k h SER 17 CO 0.01 0.00 -1.93 -2.11 -1.14 0.00 0.00 176.83 171.65 1d6k n ARG 18 N -3.55 0.71 -0.06 3.45 -4.01 -0.64 -3.20 116.66 109.36 1d6k n ARG 18 Ca -0.01 0.26 -0.16 0.00 -1.04 0.00 0.00 57.85 56.90 1d6k n ARG 18 Cb 0.18 -1.72 -0.05 0.00 -3.04 0.00 0.00 32.46 27.82 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 0.04 0.82 0.84 2.89 0.11 -1.08 -0.69 114.38 117.31 1d6k h ARG 19 Ca -0.39 -0.56 -0.04 0.00 0.10 0.00 0.00 59.98 59.10 1d6k h ARG 19 Cb 2.03 0.08 0.00 0.00 1.11 0.00 0.00 29.97 33.19 1d6k h ARG 19 CO 0.08 1.18 -0.47 -0.07 0.10 0.00 0.00 179.97 180.79 1d6k h LEU 20 N 0.58 -1.17 -2.13 0.08 4.07 -1.27 -1.96 115.31 113.50 1d6k h LEU 20 Ca -0.00 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1d6k h LEU 20 Cb 1.19 0.33 0.00 0.00 1.08 0.00 0.00 40.66 43.26 1d6k h LEU 20 CO 0.13 -0.75 0.00 0.08 -1.08 0.00 0.00 178.44 176.81 1d6k h ARG 21 N -1.21 0.00 0.00 1.13 0.11 -1.50 -1.13 114.38 111.78 1d6k h ARG 21 Ca -0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.97 1d6k h ARG 21 Cb 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 1d6k h ARG 21 CO 0.14 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.21 1d6k h ALA 22 N 2.02 1.00 -3.00 0.08 0.00 -0.38 -3.39 119.26 115.59 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 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 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 -1.82 0.00 -1.43 0.00 0.00 -0.77 -5.04 120.51 111.45 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 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 0.00 0.00 -4.35 0.00 0.23 -1.04 -5.10 115.26 105.01 1d6k n ASN 24 Ca 0.00 -0.71 -0.29 0.00 -0.53 0.00 0.00 54.58 53.04 1d6k n ASN 24 Cb 0.00 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 37.88 1d6k n ASN 24 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1d6k s LYS 25 N 0.00 0.42 -0.01 -3.83 1.02 -0.50 -3.47 119.74 113.36 1d6k s LYS 25 Ca 0.00 -0.02 -0.29 0.00 0.02 0.00 0.00 55.97 55.69 1d6k s LYS 25 Cb 0.00 -1.78 0.07 0.00 -0.52 0.00 0.00 37.83 35.59 1d6k s LYS 25 CO 0.00 -2.63 0.64 -0.59 -0.92 0.00 0.00 175.35 171.85 1d6k s PHE 26 N -3.40 -0.61 0.70 3.18 -0.71 -0.73 -3.00 117.98 113.42 1d6k s PHE 26 Ca 0.69 0.94 -0.12 0.00 -1.04 0.00 0.00 56.93 57.40 1d6k s PHE 26 Cb -0.10 0.41 0.02 0.00 -1.21 0.00 0.00 43.02 42.14 1d6k s PHE 26 CO 0.54 -0.64 1.07 -1.25 -1.34 0.00 0.00 175.22 173.60 1d6k s PRO 27 N -1.64 2.75 0.34 1.99 0.04 -1.26 -3.27 135.00 133.94 1d6k s PRO 27 Ca -0.09 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.09 1d6k s PRO 27 Cb -0.00 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1d6k s PRO 27 CO 0.06 -1.26 0.35 0.00 0.04 0.00 0.00 177.00 176.19 1d6k s ALA 28 N -2.87 1.53 0.10 8.56 0.00 -1.00 -3.78 121.76 124.30 1d6k s ALA 28 Ca 0.60 -1.91 0.01 0.00 0.00 0.00 0.00 51.96 50.67 1d6k s ALA 28 Cb -0.16 1.37 -0.04 0.00 0.00 0.00 0.00 23.12 24.29 1d6k s ALA 28 CO 0.52 -0.71 -0.05 -1.50 0.00 0.00 0.00 175.76 174.02 1d6k s ILE 29 N -3.27 0.60 -0.37 0.00 1.10 -1.07 -2.46 121.20 115.74 1d6k s ILE 29 Ca 0.37 -1.92 0.01 0.00 -0.51 0.00 0.00 60.65 58.60 1d6k s ILE 29 Cb 0.01 -1.73 0.12 0.00 0.15 0.00 0.00 42.46 41.01 1d6k s ILE 29 CO 0.26 -0.82 0.16 -0.63 -2.11 0.00 0.00 174.94 171.80 1d6k s ILE 30 N -3.69 1.09 0.53 2.00 1.01 -0.29 -1.11 121.20 120.74 1d6k s ILE 30 Ca 0.13 -1.92 0.03 0.00 0.00 0.00 0.00 60.65 58.89 1d6k s ILE 30 Cb 0.06 -1.79 0.03 0.00 0.01 0.00 0.00 42.46 40.76 1d6k s ILE 30 CO -0.04 -0.78 0.25 0.00 0.00 0.00 0.00 174.94 174.36 1d6k n TYR 31 N 4.25 0.12 -1.37 3.97 0.18 -0.37 -0.56 117.16 123.38 1d6k n TYR 31 Ca 0.03 -2.40 -0.01 0.00 1.88 0.00 0.00 57.90 57.40 1d6k n TYR 31 Cb 0.39 -0.40 -0.00 0.00 -0.38 0.00 0.00 39.34 38.94 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 -1.41 0.41 0.00 -7.48 0.00 -1.26 -0.89 105.19 94.55 1d6k n GLY 32 Ca -0.10 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.23 -1.10 1.34 -0.02 0.00 -1.26 -4.51 105.19 97.41 1d6k n GLY 33 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1d6k n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1d6k n LYS 34 N -0.18 0.00 -0.05 1.61 0.00 -1.26 -4.97 118.16 113.31 1d6k n LYS 34 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.15 1d6k n LYS 34 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.90 1d6k n LYS 34 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1d6k h GLU 35 N 0.00 0.07 -2.79 1.64 4.39 -2.04 -3.49 114.58 112.35 1d6k h GLU 35 Ca 0.00 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 59.63 1d6k h GLU 35 Cb 0.00 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 28.59 1d6k h GLU 35 CO 0.00 1.06 0.30 0.00 -1.16 0.00 0.00 179.01 179.20 1d6k s ALA 36 N -2.29 -1.55 0.38 3.43 0.00 -1.26 -5.15 121.76 115.33 1d6k s ALA 36 Ca -0.19 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1d6k s ALA 36 Cb -0.01 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1d6k s ALA 36 CO 0.71 -0.86 0.00 -0.35 0.00 0.00 0.00 175.76 175.26 1d6k n PRO 37 N -0.39 0.97 -3.30 0.00 -0.04 -1.26 -4.30 135.00 126.67 1d6k n PRO 37 Ca -0.11 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.27 1d6k n PRO 37 Cb 0.62 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.80 0.15 1.53 2.96 0.27 -4.97 118.68 117.83 1d6k s LEU 38 Ca 0.00 -0.21 -0.30 0.00 -0.22 0.00 0.00 54.13 53.40 1d6k s LEU 38 Cb 0.00 1.17 -0.07 0.00 0.50 0.00 0.00 46.19 47.78 1d6k s LEU 38 CO 0.00 -0.34 1.19 0.00 -1.32 0.00 0.00 176.35 175.88 1d6k s ALA 39 N 2.56 3.42 -0.03 5.97 0.00 -1.26 -1.14 121.76 131.28 1d6k s ALA 39 Ca 0.11 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 1d6k s ALA 39 Cb -0.13 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1d6k s ALA 39 CO -0.27 -0.37 0.06 0.96 0.00 0.00 0.00 175.76 176.14 1d6k s ILE 40 N 0.21 -0.08 -0.16 0.00 -5.25 -1.03 -0.82 121.20 114.08 1d6k s ILE 40 Ca 0.54 0.27 -0.29 0.00 -0.99 0.00 0.00 60.65 60.17 1d6k s ILE 40 Cb -0.32 -0.13 -0.00 0.00 2.95 0.00 0.00 42.46 44.96 1d6k s ILE 40 CO 0.34 0.11 1.05 -0.70 -1.79 0.00 0.00 174.94 173.95 1d6k s GLU 41 N 1.38 4.34 0.19 0.37 2.12 0.67 -2.37 118.70 125.40 1d6k s GLU 41 Ca -0.06 1.41 -0.01 0.00 0.36 0.00 0.00 54.97 56.67 1d6k s GLU 41 Cb -0.13 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1d6k s GLU 41 CO -0.04 -0.48 0.13 -0.48 -0.54 0.00 0.00 175.26 173.86 1d6k s LEU 42 N 2.61 1.21 0.08 2.70 2.34 -1.20 -1.31 118.68 125.11 1d6k s LEU 42 Ca 0.47 -1.35 -0.30 0.00 0.06 0.00 0.00 54.13 53.01 1d6k s LEU 42 Cb -0.17 0.41 -0.05 0.00 -0.56 0.00 0.00 46.19 45.81 1d6k s LEU 42 CO 0.13 -0.83 1.11 -0.62 -1.06 0.00 0.00 176.35 175.07 1d6k s ASP 43 N -3.14 7.22 0.03 1.48 2.15 -1.26 -1.78 116.67 121.37 1d6k s ASP 43 Ca 0.36 1.93 -0.25 0.00 0.43 0.00 0.00 52.55 55.03 1d6k s ASP 43 Cb 0.07 -2.58 -0.18 0.00 -0.30 0.00 0.00 42.92 39.93 1d6k s ASP 43 CO 0.10 -0.33 1.45 -0.74 -0.17 0.00 0.00 175.17 175.48 1d6k h HIS 44 N 6.32 -0.12 -0.95 -5.34 -0.00 -1.86 -2.26 115.15 110.95 1d6k h HIS 44 Ca -0.42 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.01 1d6k h HIS 44 Cb 1.21 0.04 -0.06 0.00 -0.00 0.00 0.00 27.41 28.60 1d6k h HIS 44 CO 0.66 0.15 0.60 0.22 -0.00 0.00 0.00 177.93 179.56 1d6k h ASP 45 N -0.38 0.97 0.00 3.26 3.58 -1.94 0.13 116.42 122.03 1d6k h ASP 45 Ca -0.01 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1d6k h ASP 45 Cb 0.32 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1d6k h ASP 45 CO 0.02 0.62 0.00 1.17 -2.88 0.00 0.00 179.24 178.18 1d6k n LYS 46 N -4.54 0.00 0.11 0.28 4.81 -1.23 -3.32 118.16 114.27 1d6k n LYS 46 Ca 0.14 0.14 0.19 0.00 -0.87 0.00 0.00 58.31 57.90 1d6k n LYS 46 Cb 0.17 -1.11 0.75 0.00 0.02 0.00 0.00 35.03 34.86 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 0.00 3.15 3.04 -1.13 -0.17 116.25 121.71 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 0.76 -0.04 0.00 -2.01 0.00 0.00 31.29 30.01 1d6k h VAL 47 CO 0.00 0.00 -0.36 -0.03 -1.01 0.00 0.00 177.57 176.17 1d6k h MET 48 N 0.00 -0.43 0.00 4.17 1.85 -0.84 0.30 114.93 119.97 1d6k h MET 48 Ca 0.17 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.28 1d6k h MET 48 Cb 0.79 0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.92 1d6k h MET 48 CO -0.00 -0.29 0.03 -0.97 -0.40 0.00 0.00 176.91 175.28 1d6k h ASN 49 N -0.45 0.00 0.00 1.39 -1.24 -1.02 -1.18 115.58 113.08 1d6k h ASN 49 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1d6k h ASN 49 Cb 0.48 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.53 1d6k h ASN 49 CO -0.24 0.00 -0.01 0.24 -1.29 0.00 0.00 177.43 176.13 1d6k h MET 50 N 0.00 0.00 0.00 6.67 2.86 -1.04 -3.36 114.93 120.06 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 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1d6k h MET 50 CO 0.00 0.00 0.41 0.37 1.06 0.00 0.00 176.91 178.75 1d6k h GLN 51 N -0.07 0.00 0.00 1.72 -0.00 -0.45 -2.67 115.11 113.64 1d6k h GLN 51 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1d6k h GLN 51 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.49 1d6k h GLN 51 CO 0.00 0.00 0.12 0.00 0.00 0.00 0.00 178.83 178.95 1d6k h ALA 52 N 1.17 1.11 -2.75 3.38 0.00 -1.36 -3.44 119.26 117.36 1d6k h ALA 52 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 1d6k h ALA 52 Cb 0.83 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.44 1d6k h ALA 52 CO 0.00 -0.11 -0.75 -1.59 0.00 0.00 0.00 179.25 176.80 1d6k s LYS 53 N -4.06 1.03 0.32 0.00 0.00 -1.01 -5.05 119.74 110.97 1d6k s LYS 53 Ca -0.04 -1.28 0.06 0.00 0.00 0.00 0.00 55.97 54.70 1d6k s LYS 53 Cb 0.11 -0.85 0.53 0.00 0.00 0.00 0.00 37.83 37.62 1d6k s LYS 53 CO 0.34 0.15 1.77 0.00 0.00 0.00 0.00 175.35 177.62 1d6k h ALA 54 N 3.36 1.22 0.00 0.59 0.00 -1.89 -2.21 119.26 120.34 1d6k h ALA 54 Ca -0.39 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1d6k h ALA 54 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1d6k h ALA 54 CO 0.53 0.51 0.00 0.39 0.00 0.00 0.00 179.25 180.68 1d6k n GLU 55 N -4.14 0.26 -0.07 0.00 1.02 -1.26 -1.20 120.64 115.26 1d6k n GLU 55 Ca -0.01 0.11 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 1d6k n GLU 55 Cb 0.38 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.22 1d6k n GLU 55 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1d6k h PHE 56 N 0.00 0.00 -0.09 -0.32 3.04 -1.62 -2.94 116.94 115.00 1d6k h PHE 56 Ca 0.00 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.84 1d6k h PHE 56 Cb 0.17 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 1d6k h PHE 56 CO 0.00 0.71 -0.44 0.10 -2.02 0.00 0.00 178.31 176.66 1d6k h TYR 57 N -1.00 0.25 0.10 0.41 -0.00 -1.51 -3.15 116.97 112.08 1d6k h TYR 57 Ca -0.05 -0.07 -0.28 0.00 0.00 0.00 0.00 58.73 58.32 1d6k h TYR 57 Cb 0.72 -0.05 -0.01 0.00 0.00 0.00 0.00 36.73 37.39 1d6k h TYR 57 CO 0.14 0.62 -1.39 1.03 -0.00 0.00 0.00 178.16 178.56 1d6k h SER 58 N 0.18 0.34 -3.44 0.10 0.87 -1.35 -3.34 113.55 106.90 1d6k h SER 58 Ca 0.01 -0.43 -0.66 0.00 -1.23 0.00 0.00 61.79 59.49 1d6k h SER 58 Cb 0.85 -0.11 -0.36 0.00 -0.44 0.00 0.00 62.40 62.34 1d6k h SER 58 CO 0.07 1.35 -0.83 -1.61 -0.53 0.00 0.00 176.83 175.28 1d6k s GLU 59 N -2.64 2.48 0.28 2.24 2.02 -1.11 -5.05 118.70 116.92 1d6k s GLU 59 Ca -0.06 -1.02 -0.26 0.00 0.02 0.00 0.00 54.97 53.65 1d6k s GLU 59 Cb 0.07 -2.64 -0.16 0.00 0.10 0.00 0.00 34.13 31.50 1d6k s GLU 59 CO 0.86 -0.39 0.44 1.55 0.02 0.00 0.00 175.26 177.74 1d6k n VAL 60 N 4.57 1.62 -4.30 2.63 3.14 -1.26 -2.96 118.33 121.77 1d6k n VAL 60 Ca -0.17 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.45 1d6k n VAL 60 Cb 0.46 -0.11 -0.09 0.00 -1.06 0.00 0.00 33.84 33.05 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 3.10 3.01 -0.45 6.55 1.43 0.19 -1.95 118.68 130.56 1d6k s LEU 61 Ca 0.62 -0.62 -0.06 0.00 -1.03 0.00 0.00 54.13 53.05 1d6k s LEU 61 Cb -0.81 -1.64 0.12 0.00 0.03 0.00 0.00 46.19 43.88 1d6k s LEU 61 CO 0.58 0.07 0.28 -0.89 0.23 0.00 0.00 176.35 176.62 1d6k s THR 62 N -1.90 3.72 -0.52 5.49 2.01 -1.26 -2.22 115.64 120.96 1d6k s THR 62 Ca 0.27 -1.97 -0.28 0.00 0.31 0.00 0.00 61.69 60.01 1d6k s THR 62 Cb -0.08 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 68.96 1d6k s THR 62 CO 0.16 -0.74 1.26 -0.63 -0.69 0.00 0.00 174.62 173.98 1d6k s ILE 63 N 1.19 4.00 -1.06 1.82 -1.09 0.13 -0.58 121.20 125.62 1d6k s ILE 63 Ca 0.07 0.95 -0.15 0.00 -2.23 0.00 0.00 60.65 59.30 1d6k s ILE 63 Cb -0.24 -4.55 0.17 0.00 -1.58 0.00 0.00 42.46 36.26 1d6k s ILE 63 CO -0.03 -1.12 1.22 -0.69 -1.23 0.00 0.00 174.94 173.09 1d6k s VAL 64 N 5.12 5.10 -0.76 2.92 1.01 -1.19 -0.53 120.40 132.06 1d6k s VAL 64 Ca 0.49 -2.34 -0.26 0.00 0.00 0.00 0.00 61.98 59.88 1d6k s VAL 64 Cb -0.09 -4.78 0.01 0.00 0.00 0.00 0.00 36.38 31.52 1d6k s VAL 64 CO 0.28 -1.47 1.50 0.68 0.00 0.00 0.00 175.10 176.10 1d6k s VAL 65 N 1.49 3.64 -1.58 2.92 -7.23 0.61 -1.72 120.40 118.53 1d6k s VAL 65 Ca 0.35 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.65 1d6k s VAL 65 Cb -0.05 -4.63 0.00 0.00 0.56 0.00 0.00 36.38 32.26 1d6k s VAL 65 CO -0.05 -1.57 0.00 -0.67 -0.31 0.00 0.00 175.10 172.50 1d6k n ASP 66 N 10.48 -5.31 0.00 4.85 2.03 -0.65 -1.39 116.55 126.56 1d6k n ASP 66 Ca 0.14 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1d6k n ASP 66 Cb 0.50 -4.45 0.00 0.00 -0.72 0.00 0.00 41.12 36.45 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 -0.94 0.41 3.57 0.27 0.00 -1.25 -5.08 105.19 102.18 1d6k n GLY 67 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.90 3.90 -0.41 1.61 1.02 -0.49 -5.02 119.74 119.44 1d6k s LYS 68 Ca 0.00 -0.36 -0.17 0.00 0.02 0.00 0.00 55.97 55.47 1d6k s LYS 68 Cb 0.00 -3.45 0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1d6k s LYS 68 CO 0.00 -0.04 0.41 -1.21 -0.92 0.00 0.00 175.35 173.59 1d6k s GLU 69 N 1.29 3.13 -0.12 1.68 2.02 -1.26 -0.28 118.70 125.15 1d6k s GLU 69 Ca 0.06 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1d6k s GLU 69 Cb -0.14 -3.95 -0.02 0.00 0.10 0.00 0.00 34.13 30.12 1d6k s GLU 69 CO 0.05 -0.80 -0.12 0.42 0.02 0.00 0.00 175.26 174.83 1d6k s ILE 70 N 2.06 3.15 -0.09 -1.63 1.09 0.31 -4.90 121.20 121.19 1d6k s ILE 70 Ca 0.11 -0.64 -0.22 0.00 -1.10 0.00 0.00 60.65 58.81 1d6k s ILE 70 Cb -0.17 -2.31 -0.04 0.00 -1.06 0.00 0.00 42.46 38.88 1d6k s ILE 70 CO 0.13 0.53 0.63 -0.54 -0.10 0.00 0.00 174.94 175.60 1d6k s LYS 71 N 0.14 4.39 0.13 2.79 -0.14 -1.26 0.19 119.74 125.98 1d6k s LYS 71 Ca -0.06 0.74 -0.16 0.00 -1.36 0.00 0.00 55.97 55.13 1d6k s LYS 71 Cb -0.15 -3.46 0.04 0.00 -1.68 0.00 0.00 37.83 32.58 1d6k s LYS 71 CO 0.05 0.06 0.41 0.14 -0.76 0.00 0.00 175.35 175.25 1d6k s VAL 72 N 0.87 0.06 -0.04 3.17 -7.23 -0.94 -1.45 120.40 114.84 1d6k s VAL 72 Ca 0.34 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.96 1d6k s VAL 72 Cb -0.17 -1.19 0.01 0.00 0.56 0.00 0.00 36.38 35.59 1d6k s VAL 72 CO 0.15 -0.29 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.02 1d6k s LYS 73 N -3.81 1.11 0.26 4.82 3.01 -0.60 -0.64 119.74 123.90 1d6k s LYS 73 Ca 0.03 -0.28 -0.30 0.00 -1.01 0.00 0.00 55.97 54.41 1d6k s LYS 73 Cb 0.02 -1.01 -0.11 0.00 -1.01 0.00 0.00 37.83 35.72 1d6k s LYS 73 CO -0.11 0.04 1.57 0.00 0.51 0.00 0.00 175.35 177.35 1d6k s ALA 74 N 0.49 3.74 -0.07 5.17 0.00 -1.25 -0.35 121.76 129.49 1d6k s ALA 74 Ca -0.08 1.49 0.05 0.00 0.00 0.00 0.00 51.96 53.42 1d6k s ALA 74 Cb -0.12 -3.63 -0.08 0.00 0.00 0.00 0.00 23.12 19.30 1d6k s ALA 74 CO 0.01 -0.90 0.01 1.04 0.00 0.00 0.00 175.76 175.92 1d6k n GLN 75 N 2.56 2.53 -3.26 0.00 1.13 -1.18 -4.78 117.38 114.38 1d6k n GLN 75 Ca 0.09 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.12 1d6k n GLN 75 Cb 0.38 -1.16 -0.05 0.00 0.11 0.00 0.00 30.24 29.52 1d6k n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1d6k s ASP 76 N -3.94 -0.49 0.05 1.08 2.15 -1.26 -5.06 116.67 109.19 1d6k s ASP 76 Ca -0.04 0.48 -0.06 0.00 0.43 0.00 0.00 52.55 53.36 1d6k s ASP 76 Cb 0.02 1.59 -0.05 0.00 -0.30 0.00 0.00 42.92 44.18 1d6k s ASP 76 CO 0.25 -0.28 0.30 0.68 -0.17 0.00 0.00 175.17 175.94 1d6k s VAL 77 N 2.69 5.26 -0.18 1.11 -7.23 -1.26 -1.37 120.40 119.41 1d6k s VAL 77 Ca 0.16 0.12 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 1d6k s VAL 77 Cb -0.15 -3.59 0.04 0.00 0.56 0.00 0.00 36.38 33.24 1d6k s VAL 77 CO -0.19 0.28 -0.10 -1.10 -0.31 0.00 0.00 175.10 173.68 1d6k s GLN 78 N -2.01 1.98 0.74 4.82 -0.21 0.25 -4.99 119.66 120.24 1d6k s GLN 78 Ca 0.31 -0.74 -0.12 0.00 0.02 0.00 0.00 55.36 54.84 1d6k s GLN 78 Cb -0.13 -2.29 0.03 0.00 1.00 0.00 0.00 33.01 31.62 1d6k s GLN 78 CO 0.19 -0.39 1.12 1.03 -2.12 0.00 0.00 175.29 175.12 1d6k s ARG 79 N 1.45 2.60 0.88 2.91 1.81 -1.26 -0.51 118.95 126.83 1d6k s ARG 79 Ca 0.00 0.36 -0.11 0.00 -1.72 0.00 0.00 55.73 54.26 1d6k s ARG 79 Cb -0.15 -2.00 0.12 0.00 -0.45 0.00 0.00 34.95 32.47 1d6k s ARG 79 CO -0.09 -1.20 1.11 -1.01 -0.68 0.00 0.00 175.30 173.44 1d6k s HIS 80 N -3.42 2.01 -0.09 -0.53 3.76 0.10 -4.17 115.29 112.94 1d6k s HIS 80 Ca 0.59 1.62 0.13 0.00 -0.15 0.00 0.00 55.06 57.25 1d6k s HIS 80 Cb -0.11 -3.20 -0.03 0.00 1.11 0.00 0.00 32.58 30.35 1d6k s HIS 80 CO 0.51 -2.49 1.31 -1.00 -0.85 0.00 0.00 174.74 172.22 1d6k h PRO 81 N -1.63 0.00 0.00 8.40 0.13 -1.98 -3.40 132.00 133.52 1d6k h PRO 81 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1d6k h PRO 81 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1d6k h PRO 81 CO 0.47 0.58 0.00 0.66 -0.23 0.00 0.00 178.00 179.48 1d6k n TYR 82 N -3.20 0.00 -4.31 1.56 4.01 -1.26 -5.10 117.16 108.86 1d6k n TYR 82 Ca -0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 1d6k n TYR 82 Cb 0.80 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.74 1d6k n TYR 82 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1d6k s LYS 83 N -0.01 2.05 -0.99 -0.72 -0.14 -1.26 -5.03 119.74 113.64 1d6k s LYS 83 Ca 0.00 -1.34 -0.08 0.00 -1.36 0.00 0.00 55.97 53.20 1d6k s LYS 83 Cb 0.00 -2.12 -0.13 0.00 -1.68 0.00 0.00 37.83 33.90 1d6k s LYS 83 CO 0.00 0.41 2.93 -0.35 -0.76 0.00 0.00 175.35 177.59 1d6k n PRO 84 N -0.15 2.82 -2.21 -1.68 -0.04 -1.26 -4.08 135.00 128.40 1d6k n PRO 84 Ca -0.10 -1.66 -0.02 0.00 -0.04 0.00 0.00 63.50 61.68 1d6k n PRO 84 Cb 0.56 -2.47 -0.01 0.00 -0.04 0.00 0.00 33.50 31.55 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 3.35 1.45 -4.46 0.54 5.02 -1.26 -4.98 118.16 117.82 1d6k n LYS 85 Ca 0.60 -0.29 -0.21 0.00 -2.02 0.00 0.00 58.31 56.39 1d6k n LYS 85 Cb 0.40 0.11 -0.14 0.00 -0.02 0.00 0.00 35.03 35.39 1d6k n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1d6k s LEU 86 N 0.00 2.14 -0.20 -0.35 1.43 -1.26 -0.72 118.68 119.72 1d6k s LEU 86 Ca 0.01 -0.42 0.14 0.00 -1.03 0.00 0.00 54.13 52.82 1d6k s LEU 86 Cb 0.00 -0.69 -0.23 0.00 0.03 0.00 0.00 46.19 45.30 1d6k s LEU 86 CO 0.01 0.08 0.06 0.00 0.23 0.00 0.00 176.35 176.73 1d6k n GLN 87 N 2.08 0.68 -3.61 1.70 1.13 0.33 -4.59 117.38 115.10 1d6k n GLN 87 Ca -0.17 0.06 -0.04 0.00 -1.94 0.00 0.00 57.00 54.91 1d6k n GLN 87 Cb 0.55 -1.55 -0.02 0.00 0.11 0.00 0.00 30.24 29.32 1d6k n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1d6k s HIS 88 N -2.51 -0.10 -0.01 1.08 5.04 -1.18 -4.63 115.29 112.99 1d6k s HIS 88 Ca -0.15 0.09 -0.09 0.00 -1.54 0.00 0.00 55.06 53.37 1d6k s HIS 88 Cb 0.07 0.51 0.01 0.00 0.04 0.00 0.00 32.58 33.20 1d6k s HIS 88 CO 0.78 -0.14 0.18 0.42 -2.34 0.00 0.00 174.74 173.64 1d6k s ILE 89 N -2.05 0.07 0.22 0.89 1.01 -1.25 -0.58 121.20 119.52 1d6k s ILE 89 Ca 0.09 -0.57 0.11 0.00 0.00 0.00 0.00 60.65 60.29 1d6k s ILE 89 Cb -0.01 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 1d6k s ILE 89 CO -0.04 -0.31 -0.21 1.51 0.00 0.00 0.00 174.94 175.89 1d6k s ASP 90 N -1.21 3.59 0.17 3.58 1.47 -0.47 -2.58 116.67 121.23 1d6k s ASP 90 Ca -0.13 -0.89 0.08 0.00 1.18 0.00 0.00 52.55 52.78 1d6k s ASP 90 Cb -0.06 -0.33 -0.04 0.00 -0.34 0.00 0.00 42.92 42.14 1d6k s ASP 90 CO 0.02 0.09 -0.16 -0.36 0.68 0.00 0.00 175.17 175.44 1d6k s PHE 91 N -1.99 1.67 0.03 2.11 0.08 -0.27 -3.09 117.98 116.53 1d6k s PHE 91 Ca 0.25 -0.54 0.09 0.00 0.12 0.00 0.00 56.93 56.85 1d6k s PHE 91 Cb -0.07 -0.82 -0.03 0.00 -0.57 0.00 0.00 43.02 41.54 1d6k s PHE 91 CO 0.12 0.30 -0.25 0.14 -0.10 0.00 0.00 175.22 175.43 1d6k s VAL 92 N -2.48 2.23 -0.69 -0.44 -7.23 0.53 -1.24 120.40 111.09 1d6k s VAL 92 Ca 0.17 -1.30 -0.25 0.00 -1.81 0.00 0.00 61.98 58.78 1d6k s VAL 92 Cb -0.03 -1.86 -0.13 0.00 0.56 0.00 0.00 36.38 34.92 1d6k s VAL 92 CO 0.06 0.40 2.43 0.54 -0.31 0.00 0.00 175.10 178.22 1d6k n ARG 93 N 1.87 0.69 0.00 4.82 5.12 -0.07 -1.55 116.66 127.54 1d6k n ARG 93 Ca -0.17 -0.29 0.15 0.00 -1.93 0.00 0.00 57.85 55.61 1d6k n ARG 93 Cb 0.52 -3.14 0.74 0.00 -1.16 0.00 0.00 32.46 29.41 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70