#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 -2.40 3.17 3.72 -1.26 -4.15 117.46 116.54 1d6k n PHE 2 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 1d6k n PHE 2 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 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 0.00-11.30 -3.44 4.37 -1.04 -1.26 -4.95 114.28 96.66 1d6k n THR 3 Ca 0.00 2.34 -0.43 0.00 -2.04 0.00 0.00 64.05 63.93 1d6k n THR 3 Cb 0.00 -6.04 -0.03 0.00 -1.82 0.00 0.00 70.33 62.44 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 -0.55 5.29 -0.65 12.58 -1.09 -0.20 -4.88 121.20 131.69 1d6k s ILE 4 Ca -0.24 -3.16 -0.26 0.00 -2.23 0.00 0.00 60.65 54.76 1d6k s ILE 4 Cb 0.02 -4.24 -0.07 0.00 -1.58 0.00 0.00 42.46 36.59 1d6k s ILE 4 CO 0.65 -1.08 2.18 0.20 -1.23 0.00 0.00 174.94 175.66 1d6k s ASN 5 N 1.22 4.67 0.00 3.58 0.02 -1.26 -3.13 114.94 120.03 1d6k s ASN 5 Ca 0.24 0.38 0.00 0.00 -1.02 0.00 0.00 52.86 52.46 1d6k s ASN 5 Cb -0.11 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.63 1d6k s ASN 5 CO -0.09 -2.92 0.00 0.00 0.02 0.00 0.00 177.10 174.11 1d6k n ALA 6 N 15.27 0.00 -3.64 0.60 0.00 -0.79 -4.69 120.51 127.26 1d6k n ALA 6 Ca 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.70 1d6k n ALA 6 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 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 3.04 0.68 0.37 0.00 -1.05 -0.64 -1.59 118.70 119.51 1d6k s GLU 7 Ca 0.00 1.04 -0.28 0.00 -0.15 0.00 0.00 54.97 55.58 1d6k s GLU 7 Cb 0.00 0.21 -0.11 0.00 -0.44 0.00 0.00 34.13 33.78 1d6k s GLU 7 CO 0.00 -0.12 1.43 1.33 0.95 0.00 0.00 175.26 178.85 1d6k n VAL 8 N 3.66 2.06 -3.89 1.83 0.24 -1.26 -0.40 118.33 120.57 1d6k n VAL 8 Ca -0.18 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.51 1d6k n VAL 8 Cb 0.58 -1.86 -0.10 0.00 -1.47 0.00 0.00 33.84 30.98 1d6k n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1d6k s ARG 9 N -2.07 0.41 0.00 7.34 1.04 -0.29 -4.78 118.95 120.59 1d6k s ARG 9 Ca 0.54 -0.37 0.00 0.00 -1.04 0.00 0.00 55.73 54.86 1d6k s ARG 9 Cb -0.50 0.17 0.00 0.00 -2.04 0.00 0.00 34.95 32.58 1d6k s ARG 9 CO 0.63 -0.09 0.11 1.63 -0.04 0.00 0.00 175.30 177.54 1d6k n LYS 10 N 1.67 0.43 0.00 3.89 4.76 -1.26 -4.28 118.16 123.37 1d6k n LYS 10 Ca -0.22 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.11 1d6k n LYS 10 Cb 0.56 -0.51 0.00 0.00 -1.84 0.00 0.00 35.03 33.24 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 -0.09 0.30 -0.27 1.97 0.00 -1.26 -4.58 120.64 116.70 1d6k n GLU 11 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.25 1d6k n GLU 11 Cb 0.12 -1.06 0.23 0.00 0.00 0.00 0.00 31.44 30.73 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 0.27 0.26 0.00 3.44 -0.00 -1.95 -0.11 115.11 117.02 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 0.00 0.41 -0.00 0.00 0.00 178.83 179.41 1d6k n GLY 13 N -1.36 0.00 0.00 0.06 0.00 -1.26 -4.08 105.19 98.55 1d6k n GLY 13 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.37 0.00 -0.33 1.61 5.02 -1.25 -4.97 118.16 115.87 1d6k n LYS 14 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1d6k n LYS 14 Cb 0.00 0.00 0.33 0.00 -0.02 0.00 0.00 35.03 35.34 1d6k n LYS 14 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1d6k h GLY 15 N 0.00 1.57 0.24 0.72 0.00 -1.71 -0.43 103.07 103.45 1d6k h GLY 15 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 1d6k h GLY 15 CO 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 176.54 176.27 1d6k h ALA 16 N 1.61 -0.03 -0.02 3.60 0.00 -1.21 -3.14 119.26 120.06 1d6k h ALA 16 Ca 0.53 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1d6k h ALA 16 Cb 0.81 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1d6k h ALA 16 CO -0.30 0.14 0.02 0.77 0.00 0.00 0.00 179.25 179.87 1d6k h SER 17 N -0.78 0.00 0.19 0.00 0.02 -1.54 -0.80 113.55 110.65 1d6k h SER 17 Ca -0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1d6k h SER 17 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1d6k h SER 17 CO 0.05 0.00 -0.09 0.08 -1.14 0.00 0.00 176.83 175.73 1d6k h ARG 18 N 0.00 -0.25 -0.57 3.45 0.11 -1.26 -3.16 114.38 112.70 1d6k h ARG 18 Ca 0.01 0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.07 1d6k h ARG 18 Cb 0.05 0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.16 1d6k h ARG 18 CO -0.00 0.04 0.21 0.07 0.10 0.00 0.00 179.97 180.39 1d6k h ARG 19 N -1.00 0.86 0.60 0.08 0.11 -1.14 0.64 114.38 114.54 1d6k h ARG 19 Ca -0.03 -0.17 -0.02 0.00 0.10 0.00 0.00 59.98 59.86 1d6k h ARG 19 Cb 0.40 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 1d6k h ARG 19 CO 0.04 0.76 -0.42 -0.07 0.10 0.00 0.00 179.97 180.39 1d6k h LEU 20 N 0.79 -1.09 -2.61 0.08 4.07 -1.46 -2.35 115.31 112.74 1d6k h LEU 20 Ca 0.19 0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.22 1d6k h LEU 20 Cb 0.23 0.33 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 1d6k h LEU 20 CO -0.01 -0.62 0.03 -0.09 -1.08 0.00 0.00 178.44 176.68 1d6k h ARG 21 N -0.97 0.00 0.00 1.13 2.43 -1.23 -0.79 114.38 114.95 1d6k h ARG 21 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1d6k h ARG 21 Cb 0.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1d6k h ARG 21 CO 0.05 0.00 -0.22 0.00 -1.51 0.00 0.00 179.97 178.28 1d6k n ALA 22 N -2.22 2.62 -1.51 2.80 0.00 0.22 -4.35 120.51 118.07 1d6k n ALA 22 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1d6k n ALA 22 Cb 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1d6k n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d6k n ALA 23 N -1.69 0.21 -1.22 0.00 0.00 -0.88 -5.04 120.51 111.88 1d6k n ALA 23 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1d6k n ALA 23 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1d6k n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1d6k n ASN 24 N -0.70 0.00 -4.92 0.00 3.02 -0.97 -5.11 115.26 106.58 1d6k n ASN 24 Ca 0.00 -0.61 -0.20 0.00 -0.03 0.00 0.00 54.58 53.73 1d6k n ASN 24 Cb 0.00 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 1d6k n ASN 24 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1d6k s LYS 25 N 0.00 2.30 -0.09 3.52 1.02 -0.36 -3.39 119.74 122.74 1d6k s LYS 25 Ca 0.00 -1.25 -0.30 0.00 0.02 0.00 0.00 55.97 54.44 1d6k s LYS 25 Cb 0.00 -2.56 0.11 0.00 -0.52 0.00 0.00 37.83 34.86 1d6k s LYS 25 CO 0.00 -0.86 0.88 -0.59 -0.92 0.00 0.00 175.35 173.86 1d6k s PHE 26 N -2.74 -0.44 0.83 3.18 -0.71 -0.41 -2.70 117.98 114.99 1d6k s PHE 26 Ca 0.61 0.65 -0.11 0.00 -1.04 0.00 0.00 56.93 57.03 1d6k s PHE 26 Cb -0.07 0.46 0.09 0.00 -1.21 0.00 0.00 43.02 42.29 1d6k s PHE 26 CO 0.39 -0.47 1.09 -1.25 -1.34 0.00 0.00 175.22 173.64 1d6k s PRO 27 N -1.67 1.78 0.34 1.99 0.04 -1.26 -3.02 135.00 133.20 1d6k s PRO 27 Ca -0.02 0.92 0.07 0.00 0.04 0.00 0.00 61.00 62.01 1d6k s PRO 27 Cb -0.00 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1d6k s PRO 27 CO 0.01 -1.91 0.27 0.00 0.04 0.00 0.00 177.00 175.41 1d6k s ALA 28 N -2.96 1.93 0.08 8.56 0.00 -0.55 -3.98 121.76 124.85 1d6k s ALA 28 Ca 0.62 -2.04 0.02 0.00 0.00 0.00 0.00 51.96 50.56 1d6k s ALA 28 Cb -0.17 1.45 -0.04 0.00 0.00 0.00 0.00 23.12 24.36 1d6k s ALA 28 CO 0.56 -0.65 -0.08 -1.50 0.00 0.00 0.00 175.76 174.10 1d6k s ILE 29 N -3.42 0.71 -0.49 0.00 1.10 -0.86 -2.64 121.20 115.60 1d6k s ILE 29 Ca 0.40 -1.66 0.02 0.00 -0.51 0.00 0.00 60.65 58.89 1d6k s ILE 29 Cb 0.02 -1.35 0.13 0.00 0.15 0.00 0.00 42.46 41.41 1d6k s ILE 29 CO 0.27 -0.69 0.25 -0.63 -2.11 0.00 0.00 174.94 172.03 1d6k s ILE 30 N -2.82 2.82 1.42 2.00 1.01 -0.38 -1.18 121.20 124.07 1d6k s ILE 30 Ca 0.05 -2.93 -0.24 0.00 0.00 0.00 0.00 60.65 57.54 1d6k s ILE 30 Cb -0.00 -2.95 0.37 0.00 0.01 0.00 0.00 42.46 39.89 1d6k s ILE 30 CO -0.02 -0.76 0.90 -1.22 0.00 0.00 0.00 174.94 173.83 1d6k n TYR 31 N 3.56 -3.81 0.00 3.97 4.01 0.68 -0.79 117.16 124.77 1d6k n TYR 31 Ca 0.05 -0.84 0.00 0.00 -0.16 0.00 0.00 57.90 56.95 1d6k n TYR 31 Cb 0.36 -1.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.17 1d6k n TYR 31 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1d6k n GLY 32 N -5.56 0.87 0.08 2.72 0.00 -1.26 -2.75 105.19 99.30 1d6k n GLY 32 Ca 0.14 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.66 0.28 -0.02 0.00 -1.26 -1.41 105.19 102.11 1d6k n GLY 33 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.16 1d6k n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d6k h LYS 34 N 0.00 0.50 0.00 1.61 1.57 -2.02 -3.35 116.57 114.88 1d6k h LYS 34 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1d6k h LYS 34 Cb 0.06 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1d6k h LYS 34 CO 0.00 0.33 0.00 -0.85 -0.57 0.00 0.00 179.45 178.36 1d6k n GLU 35 N -4.94 0.11 -0.72 3.15 0.28 -0.61 -5.16 120.64 112.75 1d6k n GLU 35 Ca 0.13 -0.46 0.09 0.00 -0.16 0.00 0.00 57.16 56.76 1d6k n GLU 35 Cb 0.37 -0.52 -0.04 0.00 1.43 0.00 0.00 31.44 32.68 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 -0.02 -1.87 -1.72 -1.84 0.00 -0.50 -5.05 120.51 109.50 1d6k n ALA 36 Ca 0.00 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.64 1d6k n ALA 36 Cb 0.45 -0.73 0.17 0.00 0.00 0.00 0.00 19.45 19.34 1d6k n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1d6k n PRO 37 N -3.35 -1.18 -3.17 0.00 -0.02 -1.26 -4.59 135.00 121.43 1d6k n PRO 37 Ca -0.03 -1.69 0.02 0.00 -2.02 0.00 0.00 63.50 59.78 1d6k n PRO 37 Cb 0.34 -1.15 -0.01 0.00 -0.02 0.00 0.00 33.50 32.65 1d6k n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1d6k s LEU 38 N 0.00 -1.49 0.22 2.45 2.96 0.03 -4.97 118.68 117.87 1d6k s LEU 38 Ca 0.62 0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 54.40 1d6k s LEU 38 Cb -0.02 1.91 -0.08 0.00 0.50 0.00 0.00 46.19 48.50 1d6k s LEU 38 CO 0.44 -0.30 1.07 0.00 -1.32 0.00 0.00 176.35 176.23 1d6k s ALA 39 N 2.79 3.37 -0.02 5.97 0.00 -1.26 -1.25 121.76 131.36 1d6k s ALA 39 Ca 0.11 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1d6k s ALA 39 Cb -0.11 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.72 1d6k s ALA 39 CO -0.26 -0.12 -0.00 0.96 0.00 0.00 0.00 175.76 176.34 1d6k s ILE 40 N -0.69 0.15 -0.08 0.00 -0.00 -1.08 -1.14 121.20 118.36 1d6k s ILE 40 Ca 0.46 0.06 -0.29 0.00 -0.00 0.00 0.00 60.65 60.89 1d6k s ILE 40 Cb -0.29 -0.23 -0.02 0.00 -0.00 0.00 0.00 42.46 41.92 1d6k s ILE 40 CO 0.36 0.12 0.96 -0.70 -0.00 0.00 0.00 174.94 175.68 1d6k s GLU 41 N 0.80 4.45 0.19 0.37 2.12 0.46 -1.48 118.70 125.61 1d6k s GLU 41 Ca -0.08 1.32 -0.03 0.00 0.36 0.00 0.00 54.97 56.54 1d6k s GLU 41 Cb -0.11 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1d6k s GLU 41 CO -0.02 -0.21 0.18 -0.48 -0.54 0.00 0.00 175.26 174.19 1d6k s LEU 42 N 1.64 1.17 0.20 2.70 2.34 -1.17 -1.62 118.68 123.94 1d6k s LEU 42 Ca 0.47 -1.22 -0.30 0.00 0.06 0.00 0.00 54.13 53.14 1d6k s LEU 42 Cb -0.19 0.64 -0.08 0.00 -0.56 0.00 0.00 46.19 46.00 1d6k s LEU 42 CO 0.20 -0.86 1.04 -0.62 -1.06 0.00 0.00 176.35 175.06 1d6k s ASP 43 N -3.09 7.39 -0.04 1.48 2.15 -1.26 -1.29 116.67 122.01 1d6k s ASP 43 Ca 0.31 2.05 -0.22 0.00 0.43 0.00 0.00 52.55 55.12 1d6k s ASP 43 Cb 0.06 -2.61 -0.16 0.00 -0.30 0.00 0.00 42.92 39.91 1d6k s ASP 43 CO 0.08 -0.10 0.92 -0.74 -0.17 0.00 0.00 175.17 175.16 1d6k h HIS 44 N 4.72 -0.22 -0.05 -5.34 -0.00 -1.86 -2.93 115.15 109.48 1d6k h HIS 44 Ca -0.45 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 59.92 1d6k h HIS 44 Cb 1.21 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 28.69 1d6k h HIS 44 CO 0.62 0.21 0.02 0.22 -0.00 0.00 0.00 177.93 178.99 1d6k h ASP 45 N -0.84 0.05 0.00 3.26 3.58 -1.95 0.18 116.42 120.71 1d6k h ASP 45 Ca -0.02 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1d6k h ASP 45 Cb 0.52 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1d6k h ASP 45 CO 0.04 0.05 0.00 1.17 -2.88 0.00 0.00 179.24 177.62 1d6k n LYS 46 N -4.52 0.00 -0.01 0.28 4.81 -1.25 -2.98 118.16 114.49 1d6k n LYS 46 Ca -0.02 0.00 0.23 0.00 -0.87 0.00 0.00 58.31 57.65 1d6k n LYS 46 Cb 0.10 -0.93 0.72 0.00 0.02 0.00 0.00 35.03 34.94 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 0.45 0.04 3.15 3.04 -1.30 0.11 116.25 121.73 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 0.61 -0.03 0.00 -2.01 0.00 0.00 31.29 29.86 1d6k h VAL 47 CO 0.00 0.00 -0.27 -0.03 -1.01 0.00 0.00 177.57 176.26 1d6k h MET 48 N 0.00 -0.35 0.00 4.17 1.85 -0.75 0.10 114.93 119.95 1d6k h MET 48 Ca 0.28 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.39 1d6k h MET 48 Cb 1.32 0.08 0.00 0.00 0.43 0.00 0.00 31.60 33.43 1d6k h MET 48 CO -0.00 -0.23 0.20 -0.97 -0.40 0.00 0.00 176.91 175.51 1d6k h ASN 49 N -0.36 0.00 0.00 1.39 -1.24 -0.69 -0.93 115.58 113.75 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 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 1d6k h ASN 49 CO -0.16 0.00 -0.07 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 -0.95 -3.35 114.93 120.16 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 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 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 -2.97 0.01 0.00 1.72 -0.00 0.25 -1.71 117.38 114.68 1d6k n GLN 51 Ca -0.01 0.40 0.11 0.00 -0.00 0.00 0.00 57.00 57.49 1d6k n GLN 51 Cb 0.04 -1.50 0.62 0.00 -0.00 0.00 0.00 30.24 29.40 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 -1.42 2.26 -2.40 2.61 0.00 -0.36 -4.63 120.51 116.57 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 0.02 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.12 1.35 0.43 0.00 0.00 -0.69 -5.05 119.74 113.66 1d6k s LYS 53 Ca 0.30 -1.54 0.24 0.00 0.00 0.00 0.00 55.97 54.97 1d6k s LYS 53 Cb 0.15 -1.26 0.81 0.00 0.00 0.00 0.00 37.83 37.52 1d6k s LYS 53 CO 0.27 0.23 1.77 0.00 0.00 0.00 0.00 175.35 177.62 1d6k h ALA 54 N 2.78 0.97 -0.04 0.59 0.00 -1.87 -2.65 119.26 119.04 1d6k h ALA 54 Ca -0.40 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.33 1d6k h ALA 54 Cb 1.22 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1d6k h ALA 54 CO 0.58 0.27 0.20 0.93 0.00 0.00 0.00 179.25 181.23 1d6k h GLU 55 N 0.00 0.00 -0.01 0.00 5.08 -1.93 -0.94 114.58 116.78 1d6k h GLU 55 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1d6k h GLU 55 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1d6k h GLU 55 CO 0.03 0.00 -0.03 0.35 -1.00 0.00 0.00 179.01 178.36 1d6k h PHE 56 N 0.00 0.04 0.00 4.33 3.04 -1.67 -1.27 116.94 121.42 1d6k h PHE 56 Ca 0.02 -0.02 -0.14 0.00 3.98 0.00 0.00 57.97 61.81 1d6k h PHE 56 Cb 0.42 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 1d6k h PHE 56 CO 0.00 0.63 -1.02 0.10 -2.02 0.00 0.00 178.31 176.00 1d6k h TYR 57 N -0.56 0.00 0.01 0.41 -0.00 -1.65 -3.34 116.97 111.84 1d6k h TYR 57 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 58.73 58.49 1d6k h TYR 57 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.33 1d6k h TYR 57 CO 0.14 0.55 -1.25 1.03 -0.00 0.00 0.00 178.16 178.63 1d6k h SER 58 N 0.00 0.02 -3.35 0.10 0.87 -1.30 -3.39 113.55 106.50 1d6k h SER 58 Ca -0.09 -0.03 -0.54 0.00 -1.23 0.00 0.00 61.79 59.90 1d6k h SER 58 Cb 1.50 -0.01 -0.34 0.00 -0.44 0.00 0.00 62.40 63.11 1d6k h SER 58 CO 0.06 1.03 -0.82 -1.61 -0.53 0.00 0.00 176.83 174.95 1d6k s GLU 59 N -2.67 1.83 0.44 2.24 2.02 -0.48 -5.03 118.70 117.05 1d6k s GLU 59 Ca -0.01 -0.44 -0.23 0.00 0.02 0.00 0.00 54.97 54.31 1d6k s GLU 59 Cb 0.09 -1.56 -0.11 0.00 0.10 0.00 0.00 34.13 32.66 1d6k s GLU 59 CO 0.82 -0.02 0.83 1.55 0.02 0.00 0.00 175.26 178.46 1d6k n VAL 60 N 4.03 2.31 -4.23 2.63 3.14 -1.26 -4.39 118.33 120.56 1d6k n VAL 60 Ca -0.21 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.43 1d6k n VAL 60 Cb 0.51 -0.92 -0.07 0.00 -1.06 0.00 0.00 33.84 32.31 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 0.20 3.35 -0.46 6.55 1.43 0.61 -4.92 118.68 125.44 1d6k s LEU 61 Ca 0.64 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 53.23 1d6k s LEU 61 Cb -0.56 -1.93 0.12 0.00 0.03 0.00 0.00 46.19 43.85 1d6k s LEU 61 CO 0.56 0.03 0.27 -0.89 0.23 0.00 0.00 176.35 176.56 1d6k s THR 62 N -2.03 3.54 -0.37 5.49 2.01 -1.26 -1.63 115.64 121.39 1d6k s THR 62 Ca 0.30 -2.15 -0.29 0.00 0.31 0.00 0.00 61.69 59.86 1d6k s THR 62 Cb -0.08 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1d6k s THR 62 CO 0.20 -0.74 1.47 -0.63 -0.69 0.00 0.00 174.62 174.23 1d6k s ILE 63 N 0.99 3.85 -1.06 1.82 -1.09 0.93 -1.04 121.20 125.60 1d6k s ILE 63 Ca 0.09 0.89 -0.13 0.00 -2.23 0.00 0.00 60.65 59.27 1d6k s ILE 63 Cb -0.23 -4.08 0.21 0.00 -1.58 0.00 0.00 42.46 36.78 1d6k s ILE 63 CO -0.04 -0.63 1.16 -0.69 -1.23 0.00 0.00 174.94 173.51 1d6k s VAL 64 N 5.49 5.39 -0.78 2.92 1.01 -1.18 -0.45 120.40 132.80 1d6k s VAL 64 Ca 0.64 -2.68 -0.25 0.00 0.00 0.00 0.00 61.98 59.69 1d6k s VAL 64 Cb -0.16 -4.72 -0.02 0.00 0.00 0.00 0.00 36.38 31.49 1d6k s VAL 64 CO 0.31 -1.36 1.77 0.68 0.00 0.00 0.00 175.10 176.50 1d6k s VAL 65 N 0.61 3.50 -1.51 2.92 -7.23 0.47 -1.89 120.40 117.28 1d6k s VAL 65 Ca 0.33 -0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 1d6k s VAL 65 Cb -0.07 -4.22 0.00 0.00 0.56 0.00 0.00 36.38 32.66 1d6k s VAL 65 CO -0.06 -1.16 0.00 -0.67 -0.31 0.00 0.00 175.10 172.90 1d6k n ASP 66 N 12.33 -4.56 0.00 4.85 2.03 -0.62 -1.63 116.55 128.95 1d6k n ASP 66 Ca 0.27 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1d6k n ASP 66 Cb 0.50 -3.95 0.00 0.00 -0.72 0.00 0.00 41.12 36.94 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 -0.66 0.82 3.65 0.27 0.00 -1.24 -5.10 105.19 102.94 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 -0.42 4.04 -0.40 1.61 1.02 -0.64 -5.02 119.74 119.92 1d6k s LYS 68 Ca 0.00 -0.29 -0.12 0.00 0.02 0.00 0.00 55.97 55.58 1d6k s LYS 68 Cb 0.00 -3.46 0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1d6k s LYS 68 CO 0.00 0.11 0.26 -1.21 -0.92 0.00 0.00 175.35 173.59 1d6k s GLU 69 N 0.90 2.84 -0.14 1.68 2.02 -1.26 -0.39 118.70 124.35 1d6k s GLU 69 Ca 0.07 -1.16 -0.01 0.00 0.02 0.00 0.00 54.97 53.88 1d6k s GLU 69 Cb -0.13 -3.86 -0.02 0.00 0.10 0.00 0.00 34.13 30.23 1d6k s GLU 69 CO 0.03 -0.80 -0.10 0.42 0.02 0.00 0.00 175.26 174.83 1d6k s ILE 70 N 1.58 3.23 -0.14 -1.63 1.09 0.40 -4.91 121.20 120.81 1d6k s ILE 70 Ca 0.03 -0.59 -0.26 0.00 -1.10 0.00 0.00 60.65 58.73 1d6k s ILE 70 Cb -0.20 -2.38 -0.02 0.00 -1.06 0.00 0.00 42.46 38.80 1d6k s ILE 70 CO 0.07 0.51 0.87 -0.54 -0.10 0.00 0.00 174.94 175.75 1d6k s LYS 71 N 0.48 4.34 0.15 2.79 -0.14 -1.26 -0.05 119.74 126.06 1d6k s LYS 71 Ca -0.08 1.12 -0.13 0.00 -1.36 0.00 0.00 55.97 55.52 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 0.04 -0.30 0.37 0.14 -0.76 0.00 0.00 175.35 174.84 1d6k s VAL 72 N 2.02 0.07 -0.04 3.17 -7.23 -0.65 -1.91 120.40 115.83 1d6k s VAL 72 Ca 0.41 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.64 1d6k s VAL 72 Cb -0.17 -1.49 0.02 0.00 0.56 0.00 0.00 36.38 35.31 1d6k s VAL 72 CO 0.14 -0.31 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.06 1d6k s LYS 73 N -3.88 0.63 0.13 4.82 1.02 -0.90 -0.28 119.74 121.28 1d6k s LYS 73 Ca 0.09 -0.02 -0.31 0.00 0.02 0.00 0.00 55.97 55.75 1d6k s LYS 73 Cb 0.02 -0.73 -0.10 0.00 -0.52 0.00 0.00 37.83 36.50 1d6k s LYS 73 CO -0.06 -0.12 1.67 0.00 -0.92 0.00 0.00 175.35 175.91 1d6k s ALA 74 N 1.07 3.77 -0.06 5.17 0.00 -1.26 -0.81 121.76 129.64 1d6k s ALA 74 Ca -0.09 1.36 0.03 0.00 0.00 0.00 0.00 51.96 53.27 1d6k s ALA 74 Cb -0.14 -3.68 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 1d6k s ALA 74 CO -0.01 -0.99 0.10 1.04 0.00 0.00 0.00 175.76 175.90 1d6k n GLN 75 N 4.83 2.30 -3.63 0.00 3.00 -1.18 -4.66 117.38 118.05 1d6k n GLN 75 Ca 0.15 -0.02 -0.04 0.00 -0.01 0.00 0.00 57.00 57.09 1d6k n GLN 75 Cb 0.39 -0.92 -0.06 0.00 0.00 0.00 0.00 30.24 29.65 1d6k n GLN 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1d6k s ASP 76 N -1.98 -0.93 -0.02 1.08 2.15 -1.26 -5.06 116.67 110.64 1d6k s ASP 76 Ca -0.00 1.40 -0.05 0.00 0.43 0.00 0.00 52.55 54.32 1d6k s ASP 76 Cb 0.02 1.68 -0.04 0.00 -0.30 0.00 0.00 42.92 44.28 1d6k s ASP 76 CO 0.14 -0.21 0.21 0.68 -0.17 0.00 0.00 175.17 175.82 1d6k s VAL 77 N 2.07 5.39 -0.36 1.11 -7.23 -1.26 -1.54 120.40 118.57 1d6k s VAL 77 Ca -0.08 0.08 -0.02 0.00 -1.81 0.00 0.00 61.98 60.15 1d6k s VAL 77 Cb -0.07 -3.53 0.08 0.00 0.56 0.00 0.00 36.38 33.43 1d6k s VAL 77 CO -0.19 0.41 0.11 -1.10 -0.31 0.00 0.00 175.10 174.01 1d6k s GLN 78 N -1.66 2.11 0.83 4.82 -0.21 0.38 -4.99 119.66 120.94 1d6k s GLN 78 Ca 0.25 -1.60 -0.12 0.00 0.02 0.00 0.00 55.36 53.91 1d6k s GLN 78 Cb -0.13 -3.38 0.09 0.00 1.00 0.00 0.00 33.01 30.59 1d6k s GLN 78 CO 0.14 -0.88 1.11 1.03 -2.12 0.00 0.00 175.29 174.58 1d6k s ARG 79 N 1.16 1.82 0.88 2.91 1.81 -1.26 -0.48 118.95 125.79 1d6k s ARG 79 Ca 0.03 0.51 -0.11 0.00 -1.72 0.00 0.00 55.73 54.45 1d6k s ARG 79 Cb -0.21 -1.90 0.12 0.00 -0.45 0.00 0.00 34.95 32.51 1d6k s ARG 79 CO -0.03 -1.77 1.10 -1.01 -0.68 0.00 0.00 175.30 172.90 1d6k s HIS 80 N -3.21 2.13 -0.16 -0.53 3.76 -0.23 -4.40 115.29 112.65 1d6k s HIS 80 Ca 0.62 1.50 0.16 0.00 -0.15 0.00 0.00 55.06 57.19 1d6k s HIS 80 Cb -0.14 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.39 1d6k s HIS 80 CO 0.54 -2.43 1.22 -1.00 -0.85 0.00 0.00 174.74 172.22 1d6k h PRO 81 N -1.59 0.00 0.00 8.40 0.13 -1.98 -3.39 132.00 133.58 1d6k h PRO 81 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1d6k h PRO 81 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1d6k h PRO 81 CO 0.49 0.39 -0.01 0.98 -0.23 0.00 0.00 178.00 179.62 1d6k n TYR 82 N -3.08 0.00 -4.38 1.56 9.36 -1.26 -5.11 117.16 114.25 1d6k n TYR 82 Ca -0.02 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 60.99 1d6k n TYR 82 Cb 0.75 0.06 -0.10 0.00 -0.63 0.00 0.00 39.34 39.42 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 1.43 0.00 2.98 3.01 -1.26 -5.03 119.74 120.87 1d6k s LYS 83 Ca 0.00 -1.62 0.02 0.00 -1.01 0.00 0.00 55.97 53.37 1d6k s LYS 83 Cb 0.00 -1.37 0.13 0.00 -1.01 0.00 0.00 37.83 35.59 1d6k s LYS 83 CO 0.00 0.25 0.84 -0.35 0.51 0.00 0.00 175.35 176.59 1d6k n PRO 84 N -0.34 0.74 -1.37 -1.68 -0.04 -1.26 -4.06 135.00 126.98 1d6k n PRO 84 Ca -0.08 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.15 1d6k n PRO 84 Cb 0.60 -1.05 0.17 0.00 -0.04 0.00 0.00 33.50 33.18 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 -0.55 -1.36 -4.41 0.54 4.76 -1.26 -4.86 118.16 111.02 1d6k n LYS 85 Ca 0.02 -1.58 -0.24 0.00 -2.87 0.00 0.00 58.31 53.63 1d6k n LYS 85 Cb 0.01 -1.13 -0.09 0.00 -1.84 0.00 0.00 35.03 31.98 1d6k n LYS 85 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1d6k s LEU 86 N 0.00 2.86 0.00 -0.35 1.43 -1.26 -1.07 118.68 120.28 1d6k s LEU 86 Ca 0.59 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1d6k s LEU 86 Cb -0.02 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1d6k s LEU 86 CO 0.42 -0.11 0.00 0.00 0.23 0.00 0.00 176.35 176.89 1d6k n GLN 87 N -0.82 2.99 -3.62 1.70 6.02 0.37 -4.55 117.38 119.47 1d6k n GLN 87 Ca -0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.93 1d6k n GLN 87 Cb 0.61 -0.92 -0.02 0.00 1.02 0.00 0.00 30.24 30.94 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 -1.82 -0.04 -0.04 1.08 5.04 -1.15 -4.76 115.29 113.60 1d6k s HIS 88 Ca 0.00 0.02 -0.10 0.00 -1.54 0.00 0.00 55.06 53.43 1d6k s HIS 88 Cb 0.00 0.51 0.02 0.00 0.04 0.00 0.00 32.58 33.15 1d6k s HIS 88 CO 0.00 -0.08 0.24 0.42 -2.34 0.00 0.00 174.74 172.98 1d6k s ILE 89 N -2.15 0.04 0.21 0.89 1.01 -1.26 -0.47 121.20 119.47 1d6k s ILE 89 Ca 0.12 -0.35 0.10 0.00 0.00 0.00 0.00 60.65 60.52 1d6k s ILE 89 Cb 0.01 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 1d6k s ILE 89 CO -0.04 -0.19 -0.16 1.51 0.00 0.00 0.00 174.94 176.06 1d6k s ASP 90 N -0.77 3.85 0.10 3.58 1.47 -0.59 -2.02 116.67 122.30 1d6k s ASP 90 Ca -0.09 -0.76 0.05 0.00 1.18 0.00 0.00 52.55 52.93 1d6k s ASP 90 Cb -0.05 -0.48 -0.04 0.00 -0.34 0.00 0.00 42.92 42.01 1d6k s ASP 90 CO 0.02 0.09 -0.12 -0.36 0.68 0.00 0.00 175.17 175.48 1d6k s PHE 91 N -1.85 1.21 0.22 2.11 0.08 -0.32 -3.09 117.98 116.34 1d6k s PHE 91 Ca 0.24 -0.59 0.05 0.00 0.12 0.00 0.00 56.93 56.76 1d6k s PHE 91 Cb -0.08 -0.65 -0.03 0.00 -0.57 0.00 0.00 43.02 41.69 1d6k s PHE 91 CO 0.13 0.06 0.28 0.14 -0.10 0.00 0.00 175.22 175.74 1d6k s VAL 92 N -2.17 4.96 -0.49 -0.44 -7.23 0.01 -0.23 120.40 114.82 1d6k s VAL 92 Ca 0.06 -1.07 -0.26 0.00 -1.81 0.00 0.00 61.98 58.89 1d6k s VAL 92 Cb -0.05 -3.66 -0.06 0.00 0.56 0.00 0.00 36.38 33.18 1d6k s VAL 92 CO 0.02 -0.28 2.27 -0.13 -0.31 0.00 0.00 175.10 176.67 1d6k s ARG 93 N -3.75 2.30 0.00 4.82 1.81 -1.11 -2.12 118.95 120.90 1d6k s ARG 93 Ca 0.33 1.30 0.15 0.00 -1.72 0.00 0.00 55.73 55.79 1d6k s ARG 93 Cb -0.09 -4.52 0.92 0.00 -0.45 0.00 0.00 34.95 30.81 1d6k s ARG 93 CO 0.27 -3.06 1.34 0.00 -0.68 0.00 0.00 175.30 173.17