#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6k h PHE 2 N 0.00 -0.90 -4.69 1.12 0.04 -1.96 -3.50 116.94 107.06 1d6k h PHE 2 Ca 0.00 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.76 1d6k h PHE 2 Cb 0.00 0.30 -0.10 0.00 2.20 0.00 0.00 35.95 38.35 1d6k h PHE 2 CO 0.00 -0.56 -1.29 2.41 -0.60 0.00 0.00 178.31 178.27 1d6k n THR 3 N -4.74-11.31 -3.41 -1.55 -1.04 -1.26 -4.94 114.28 86.02 1d6k n THR 3 Ca -0.12 2.26 -0.44 0.00 -2.04 0.00 0.00 64.05 63.72 1d6k n THR 3 Cb 0.38 -6.16 -0.02 0.00 -1.82 0.00 0.00 70.33 62.71 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 -0.68 5.46 -0.27 12.58 -1.09 -0.57 -4.87 121.20 131.75 1d6k s ILE 4 Ca -0.21 -3.16 -0.29 0.00 -2.23 0.00 0.00 60.65 54.76 1d6k s ILE 4 Cb 0.01 -4.34 -0.06 0.00 -1.58 0.00 0.00 42.46 36.49 1d6k s ILE 4 CO 0.68 -1.10 2.24 0.59 -1.23 0.00 0.00 174.94 176.12 1d6k n ASN 5 N 3.11 2.96 -0.27 3.58 5.03 -1.26 -3.14 115.26 125.26 1d6k n ASN 5 Ca 0.19 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.83 1d6k n ASN 5 Cb 0.41 -1.50 0.00 0.00 -1.02 0.00 0.00 39.78 37.67 1d6k n ASN 5 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1d6k n ALA 6 N 11.68 0.00 -3.59 5.41 0.00 -0.69 -4.34 120.51 128.98 1d6k n ALA 6 Ca 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.64 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 1.15 0.76 0.23 0.00 -1.05 -0.38 -1.56 118.70 117.85 1d6k s GLU 7 Ca 0.00 0.97 -0.31 0.00 -0.15 0.00 0.00 54.97 55.48 1d6k s GLU 7 Cb 0.00 0.33 -0.11 0.00 -0.44 0.00 0.00 34.13 33.91 1d6k s GLU 7 CO 0.00 -0.10 1.58 0.14 0.95 0.00 0.00 175.26 177.83 1d6k s VAL 8 N 0.57 2.33 0.07 1.83 -7.23 -1.26 -0.23 120.40 116.46 1d6k s VAL 8 Ca -0.02 0.25 0.05 0.00 -1.81 0.00 0.00 61.98 60.45 1d6k s VAL 8 Cb -0.05 -3.16 -0.03 0.00 0.56 0.00 0.00 36.38 33.70 1d6k s VAL 8 CO -0.02 0.03 -0.13 0.00 -0.31 0.00 0.00 175.10 174.67 1d6k s ARG 9 N 0.33 0.76 0.00 4.82 1.04 0.00 -4.82 118.95 121.08 1d6k s ARG 9 Ca 0.67 -0.92 0.00 0.00 -1.04 0.00 0.00 55.73 54.44 1d6k s ARG 9 Cb -0.46 -0.72 0.00 0.00 -2.04 0.00 0.00 34.95 31.73 1d6k s ARG 9 CO 0.39 0.16 0.05 1.63 -0.04 0.00 0.00 175.30 177.48 1d6k n LYS 10 N 1.30 0.27 0.00 3.89 4.76 -1.26 -4.17 118.16 122.95 1d6k n LYS 10 Ca -0.21 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.18 1d6k n LYS 10 Cb 0.54 -0.40 0.00 0.00 -1.84 0.00 0.00 35.03 33.34 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 -0.05 0.37 -0.23 1.97 0.00 -1.26 -4.63 120.64 116.82 1d6k n GLU 11 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 1d6k n GLU 11 Cb 0.14 -1.08 0.02 0.00 0.00 0.00 0.00 31.44 30.52 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 0.26 -0.12 0.00 3.44 -0.00 -1.96 -1.02 115.11 115.71 1d6k h GLN 12 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1d6k h GLN 12 Cb 0.08 0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.58 1d6k h GLN 12 CO 0.00 -0.08 0.00 0.41 -0.00 0.00 0.00 178.83 179.16 1d6k n GLY 13 N -1.44 0.00 0.00 0.06 0.00 -1.26 -4.03 105.19 98.52 1d6k n GLY 13 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1d6k n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1d6k n LYS 14 N -0.47 0.00 0.19 1.61 3.00 -1.25 -4.95 118.16 116.30 1d6k n LYS 14 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 1d6k n LYS 14 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 35.03 35.42 1d6k n LYS 14 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1d6k h GLY 15 N 0.00 0.00 0.69 3.14 0.00 -1.72 -1.85 103.07 103.33 1d6k h GLY 15 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1d6k h GLY 15 CO 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 176.54 176.22 1d6k h ALA 16 N 1.67 0.13 0.00 3.60 0.00 -1.36 -3.11 119.26 120.20 1d6k h ALA 16 Ca -0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1d6k h ALA 16 Cb 0.58 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1d6k h ALA 16 CO 0.04 0.19 -0.00 0.77 0.00 0.00 0.00 179.25 180.25 1d6k h SER 17 N -0.15 0.00 0.16 0.00 0.02 -1.49 -0.30 113.55 111.78 1d6k h SER 17 Ca -0.02 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.57 1d6k h SER 17 Cb 0.97 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1d6k h SER 17 CO 0.07 0.00 -1.86 0.08 -1.14 0.00 0.00 176.83 173.98 1d6k h ARG 18 N 0.00 0.34 -0.22 3.45 -0.00 -1.55 -3.16 114.38 113.24 1d6k h ARG 18 Ca -0.00 -0.58 -0.12 0.00 -0.00 0.00 0.00 59.98 59.28 1d6k h ARG 18 Cb 0.02 0.22 -0.01 0.00 -0.00 0.00 0.00 29.97 30.19 1d6k h ARG 18 CO 0.00 1.28 -0.36 0.07 -0.00 0.00 0.00 179.97 180.96 1d6k h ARG 19 N 0.08 0.47 0.18 0.08 0.11 -1.07 -0.96 114.38 113.28 1d6k h ARG 19 Ca -0.38 -0.22 -0.01 0.00 0.10 0.00 0.00 59.98 59.47 1d6k h ARG 19 Cb 2.07 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 33.14 1d6k h ARG 19 CO 0.14 0.77 -0.08 -0.07 0.10 0.00 0.00 179.97 180.82 1d6k h LEU 20 N 0.40 -0.20 -2.13 0.08 4.07 -1.29 -2.32 115.31 113.92 1d6k h LEU 20 Ca 0.04 -0.33 0.02 0.00 0.08 0.00 0.00 57.88 57.69 1d6k h LEU 20 Cb 0.82 0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.61 1d6k h LEU 20 CO 0.07 0.33 0.05 0.08 -1.08 0.00 0.00 178.44 177.89 1d6k h ARG 21 N -0.84 0.00 0.00 1.13 0.11 -1.57 -0.20 114.38 113.01 1d6k h ARG 21 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1d6k h ARG 21 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1d6k h ARG 21 CO 0.04 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.11 1d6k h ALA 22 N 1.96 1.00 0.00 0.08 0.00 -0.96 -3.20 119.26 118.13 1d6k h ALA 22 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1d6k h ALA 22 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1d6k h ALA 22 CO -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 1d6k n ALA 23 N -1.82 2.14 -1.16 0.00 0.00 -0.49 -4.98 120.51 114.20 1d6k n ALA 23 Ca 0.03 -2.04 -0.05 0.00 0.00 0.00 0.00 53.44 51.37 1d6k n ALA 23 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.06 -5.21 -4.75 0.00 3.02 -0.82 -4.99 115.26 101.45 1d6k n ASN 24 Ca 0.10 0.14 -0.23 0.00 -0.03 0.00 0.00 54.58 54.56 1d6k n ASN 24 Cb 0.54 -3.20 0.09 0.00 -0.61 0.00 0.00 39.78 36.61 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 -2.17 1.88 0.00 3.52 1.02 -0.21 -2.79 119.74 120.99 1d6k s LYS 25 Ca 0.00 -1.01 -0.29 0.00 0.02 0.00 0.00 55.97 54.69 1d6k s LYS 25 Cb 0.00 -2.36 0.07 0.00 -0.52 0.00 0.00 37.83 35.02 1d6k s LYS 25 CO 0.00 -1.29 0.68 -0.59 -0.92 0.00 0.00 175.35 173.23 1d6k s PHE 26 N -3.07 -0.61 0.64 3.18 -0.71 -0.69 -3.44 117.98 113.28 1d6k s PHE 26 Ca 0.64 0.88 -0.15 0.00 -1.04 0.00 0.00 56.93 57.27 1d6k s PHE 26 Cb -0.07 0.45 -0.01 0.00 -1.21 0.00 0.00 43.02 42.19 1d6k s PHE 26 CO 0.43 -0.66 1.08 -1.25 -1.34 0.00 0.00 175.22 173.48 1d6k s PRO 27 N -1.89 2.98 0.33 1.99 0.04 -1.26 -3.22 135.00 133.97 1d6k s PRO 27 Ca -0.07 1.27 0.03 0.00 0.04 0.00 0.00 61.00 62.27 1d6k s PRO 27 Cb -0.00 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1d6k s PRO 27 CO 0.03 -1.09 0.35 0.00 0.04 0.00 0.00 177.00 176.33 1d6k s ALA 28 N -2.47 1.40 0.08 8.56 0.00 -1.00 -3.94 121.76 124.38 1d6k s ALA 28 Ca 0.65 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.78 1d6k s ALA 28 Cb -0.18 1.35 -0.04 0.00 0.00 0.00 0.00 23.12 24.25 1d6k s ALA 28 CO 0.42 -0.71 -0.06 -1.50 0.00 0.00 0.00 175.76 173.91 1d6k s ILE 29 N -3.33 0.56 -0.38 0.00 1.10 -1.08 -2.15 121.20 115.92 1d6k s ILE 29 Ca 0.37 -1.86 0.01 0.00 -0.51 0.00 0.00 60.65 58.66 1d6k s ILE 29 Cb 0.02 -1.58 0.12 0.00 0.15 0.00 0.00 42.46 41.16 1d6k s ILE 29 CO 0.24 -0.88 0.17 -0.63 -2.11 0.00 0.00 174.94 171.73 1d6k s ILE 30 N -3.58 1.17 0.24 2.00 1.01 -0.30 -0.90 121.20 120.84 1d6k s ILE 30 Ca 0.09 -2.05 0.01 0.00 0.00 0.00 0.00 60.65 58.70 1d6k s ILE 30 Cb 0.05 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.68 1d6k s ILE 30 CO -0.06 -0.80 0.06 0.00 0.00 0.00 0.00 174.94 174.14 1d6k n TYR 31 N 4.11 0.04 -1.46 3.97 0.18 0.11 -0.60 117.16 123.51 1d6k n TYR 31 Ca 0.04 -1.11 0.00 0.00 1.88 0.00 0.00 57.90 58.71 1d6k n TYR 31 Cb 0.38 -0.17 0.00 0.00 -0.38 0.00 0.00 39.34 39.17 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 2.17 0.38 0.00 -7.48 0.00 -1.26 -0.99 105.19 98.01 1d6k n GLY 32 Ca -0.07 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.06 1.87 0.00 -0.02 0.00 -1.26 -4.60 105.19 99.12 1d6k n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -0.03 1.61 0.00 -1.26 -4.97 118.16 113.51 1d6k n LYS 34 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 1d6k n LYS 34 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 1d6k n LYS 34 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1d6k h GLU 35 N 0.00 0.18 0.00 1.64 4.11 -2.03 -3.50 114.58 114.99 1d6k h GLU 35 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.30 1d6k h GLU 35 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1d6k h GLU 35 CO 0.00 0.73 0.00 0.00 0.07 0.00 0.00 179.01 179.81 1d6k n ALA 36 N -2.44 0.00 -1.86 1.06 0.00 -1.26 -5.19 120.51 110.82 1d6k n ALA 36 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1d6k n ALA 36 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.91 2.16 -3.15 0.00 -0.04 -1.26 -4.46 135.00 127.33 1d6k n PRO 37 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1d6k n PRO 37 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 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 -1.48 0.19 1.53 2.96 0.24 -4.96 118.68 117.15 1d6k s LEU 38 Ca 0.00 0.57 -0.30 0.00 -0.22 0.00 0.00 54.13 54.18 1d6k s LEU 38 Cb 0.00 2.10 -0.08 0.00 0.50 0.00 0.00 46.19 48.72 1d6k s LEU 38 CO 0.00 -0.27 1.00 0.00 -1.32 0.00 0.00 176.35 175.76 1d6k s ALA 39 N 2.85 3.32 -0.07 5.97 0.00 -1.26 -1.15 121.76 131.43 1d6k s ALA 39 Ca 0.16 0.68 -0.03 0.00 0.00 0.00 0.00 51.96 52.77 1d6k s ALA 39 Cb -0.13 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.76 1d6k s ALA 39 CO -0.23 -0.00 0.14 0.96 0.00 0.00 0.00 175.76 176.62 1d6k s ILE 40 N -0.57 -0.16 -0.40 0.00 -5.25 -0.91 -0.82 121.20 113.08 1d6k s ILE 40 Ca 0.45 0.30 -0.29 0.00 -0.99 0.00 0.00 60.65 60.12 1d6k s ILE 40 Cb -0.26 -0.25 0.02 0.00 2.95 0.00 0.00 42.46 44.92 1d6k s ILE 40 CO 0.33 0.12 1.12 -0.70 -1.79 0.00 0.00 174.94 174.02 1d6k s GLU 41 N 1.84 3.88 0.28 0.37 2.12 0.67 -2.39 118.70 125.47 1d6k s GLU 41 Ca -0.02 0.81 0.05 0.00 0.36 0.00 0.00 54.97 56.17 1d6k s GLU 41 Cb -0.12 -3.83 -0.06 0.00 0.26 0.00 0.00 34.13 30.38 1d6k s GLU 41 CO -0.05 -1.16 -0.00 -0.48 -0.54 0.00 0.00 175.26 173.02 1d6k s LEU 42 N 4.11 2.31 0.22 2.70 2.34 -1.20 -1.25 118.68 127.91 1d6k s LEU 42 Ca 0.47 -1.26 -0.30 0.00 0.06 0.00 0.00 54.13 53.11 1d6k s LEU 42 Cb -0.10 -0.45 -0.09 0.00 -0.56 0.00 0.00 46.19 45.00 1d6k s LEU 42 CO 0.24 -0.48 1.06 -0.62 -1.06 0.00 0.00 176.35 175.49 1d6k s ASP 43 N -3.42 7.36 -0.07 1.48 -1.08 -1.26 -1.71 116.67 117.98 1d6k s ASP 43 Ca 0.31 2.11 -0.24 0.00 -0.52 0.00 0.00 52.55 54.21 1d6k s ASP 43 Cb 0.06 -2.61 -0.19 0.00 -1.46 0.00 0.00 42.92 38.71 1d6k s ASP 43 CO 0.12 -0.10 0.91 -0.74 0.52 0.00 0.00 175.17 175.88 1d6k h HIS 44 N 4.45 -0.07 0.00 -5.34 -0.00 -1.80 -2.67 115.15 109.71 1d6k h HIS 44 Ca -0.45 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 59.88 1d6k h HIS 44 Cb 1.21 0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.64 1d6k h HIS 44 CO 0.61 0.53 -0.16 0.22 -0.00 0.00 0.00 177.93 179.12 1d6k h ASP 45 N -0.80 0.00 0.00 3.26 3.58 -1.94 0.17 116.42 120.68 1d6k h ASP 45 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1d6k h ASP 45 Cb 0.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1d6k h ASP 45 CO 0.01 0.16 0.00 1.17 -2.88 0.00 0.00 179.24 177.71 1d6k n LYS 46 N -3.34 0.00 0.22 0.28 4.81 -1.25 -3.20 118.16 115.68 1d6k n LYS 46 Ca 0.00 0.17 0.16 0.00 -0.87 0.00 0.00 58.31 57.77 1d6k n LYS 46 Cb 0.39 -1.09 0.83 0.00 0.02 0.00 0.00 35.03 35.17 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 0.54 0.16 3.15 3.04 -1.05 -0.90 116.25 121.18 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 0.88 -0.04 0.00 -2.01 0.00 0.00 31.29 30.12 1d6k h VAL 47 CO 0.00 0.00 -0.47 -0.03 -1.01 0.00 0.00 177.57 176.06 1d6k h MET 48 N 0.00 -0.70 0.00 4.17 1.85 -0.78 0.12 114.93 119.58 1d6k h MET 48 Ca 0.07 0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1d6k h MET 48 Cb 0.37 0.16 -0.00 0.00 0.43 0.00 0.00 31.60 32.56 1d6k h MET 48 CO -0.00 -0.47 -0.00 -0.97 -0.40 0.00 0.00 176.91 175.07 1d6k h ASN 49 N -0.73 0.00 0.00 1.39 -1.24 -1.13 -1.89 115.58 111.99 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 0.73 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.78 1d6k h ASN 49 CO -0.24 0.00 -0.02 0.24 -1.29 0.00 0.00 177.43 176.12 1d6k h MET 50 N 0.00 0.00 0.00 6.67 2.86 -0.98 -3.33 114.93 120.15 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 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1d6k h MET 50 CO 0.00 0.00 0.27 0.37 1.06 0.00 0.00 176.91 178.61 1d6k h GLN 51 N -0.28 0.00 0.00 1.72 -0.00 -0.90 -1.44 115.11 114.21 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 0.02 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.50 1d6k h GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.83 178.83 1d6k n ALA 52 N -1.79 1.86 -2.43 3.38 0.00 -0.71 -4.61 120.51 116.22 1d6k n ALA 52 Ca -0.02 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 1d6k n ALA 52 Cb 0.31 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.39 1.29 0.46 0.00 0.00 -0.54 -5.04 119.74 113.52 1d6k s LYS 53 Ca 0.16 -1.46 0.26 0.00 0.00 0.00 0.00 55.97 54.92 1d6k s LYS 53 Cb 0.09 -1.26 0.84 0.00 0.00 0.00 0.00 37.83 37.51 1d6k s LYS 53 CO 0.19 0.24 1.79 0.00 0.00 0.00 0.00 175.35 177.57 1d6k h ALA 54 N 3.04 0.97 0.00 0.59 0.00 -1.87 -2.55 119.26 119.44 1d6k h ALA 54 Ca -0.41 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1d6k h ALA 54 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1d6k h ALA 54 CO 0.54 0.17 0.06 0.93 0.00 0.00 0.00 179.25 180.95 1d6k h GLU 55 N 0.00 0.00 0.25 0.00 5.08 -1.93 -1.12 114.58 116.86 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 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1d6k h GLU 55 CO 0.02 0.00 -0.12 0.35 -1.00 0.00 0.00 179.01 178.26 1d6k h PHE 56 N 0.00 -0.32 0.02 4.33 3.57 -1.66 -0.96 116.94 121.92 1d6k h PHE 56 Ca 0.00 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.28 1d6k h PHE 56 Cb 0.11 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1d6k h PHE 56 CO 0.00 0.05 -0.96 0.10 -2.23 0.00 0.00 178.31 175.28 1d6k h TYR 57 N -0.84 0.30 -0.17 0.41 -0.00 -1.67 -3.28 116.97 111.72 1d6k h TYR 57 Ca -0.03 -0.18 -0.22 0.00 0.00 0.00 0.00 58.73 58.30 1d6k h TYR 57 Cb 0.51 -0.03 0.01 0.00 0.00 0.00 0.00 36.73 37.22 1d6k h TYR 57 CO 0.05 1.04 -0.75 1.03 -0.00 0.00 0.00 178.16 179.53 1d6k h SER 58 N 0.09 0.95 -3.16 0.10 0.87 -1.33 -3.38 113.55 107.69 1d6k h SER 58 Ca -0.06 -0.62 -0.60 0.00 -1.23 0.00 0.00 61.79 59.28 1d6k h SER 58 Cb 1.62 -0.28 -0.36 0.00 -0.44 0.00 0.00 62.40 62.94 1d6k h SER 58 CO 0.15 1.41 -0.83 -1.61 -0.53 0.00 0.00 176.83 175.42 1d6k s GLU 59 N -3.79 2.26 0.43 2.24 2.02 -0.36 -5.05 118.70 116.45 1d6k s GLU 59 Ca -0.10 -0.60 -0.23 0.00 0.02 0.00 0.00 54.97 54.06 1d6k s GLU 59 Cb 0.09 -2.15 -0.12 0.00 0.10 0.00 0.00 34.13 32.05 1d6k s GLU 59 CO 0.90 -0.26 0.72 1.55 0.02 0.00 0.00 175.26 178.18 1d6k n VAL 60 N 4.76 2.09 -4.13 2.63 3.14 -1.26 -4.41 118.33 121.15 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 0.50 -0.76 -0.06 0.00 -1.06 0.00 0.00 33.84 32.45 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 0.85 3.63 -0.69 6.55 1.43 0.59 -4.83 118.68 126.21 1d6k s LEU 61 Ca 0.64 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1d6k s LEU 61 Cb -0.58 -2.25 0.18 0.00 0.03 0.00 0.00 46.19 43.56 1d6k s LEU 61 CO 0.57 0.08 0.52 -0.89 0.23 0.00 0.00 176.35 176.86 1d6k s THR 62 N -1.73 3.89 -0.34 5.49 2.01 -1.26 -1.56 115.64 122.15 1d6k s THR 62 Ca 0.30 -3.17 -0.29 0.00 0.31 0.00 0.00 61.69 58.84 1d6k s THR 62 Cb -0.10 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 1d6k s THR 62 CO 0.22 -0.93 1.67 -0.63 -0.69 0.00 0.00 174.62 174.25 1d6k s ILE 63 N -0.37 3.62 -1.00 1.82 1.09 0.49 -1.52 121.20 125.35 1d6k s ILE 63 Ca 0.19 0.64 -0.15 0.00 -1.10 0.00 0.00 60.65 60.23 1d6k s ILE 63 Cb -0.17 -3.81 0.18 0.00 -1.06 0.00 0.00 42.46 37.60 1d6k s ILE 63 CO -0.06 -0.49 1.12 -0.69 -0.10 0.00 0.00 174.94 174.73 1d6k s VAL 64 N 6.25 5.14 -0.82 2.92 1.01 -1.19 -0.65 120.40 133.07 1d6k s VAL 64 Ca 0.74 -2.24 -0.25 0.00 0.00 0.00 0.00 61.98 60.22 1d6k s VAL 64 Cb -0.20 -4.72 0.01 0.00 0.00 0.00 0.00 36.38 31.46 1d6k s VAL 64 CO 0.33 -1.39 1.58 0.68 0.00 0.00 0.00 175.10 176.30 1d6k s VAL 65 N 1.41 3.64 -1.69 2.92 -7.23 0.55 -1.70 120.40 118.30 1d6k s VAL 65 Ca 0.32 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.38 1d6k s VAL 65 Cb -0.06 -4.56 0.00 0.00 0.56 0.00 0.00 36.38 32.32 1d6k s VAL 65 CO -0.07 -1.49 0.00 -0.67 -0.31 0.00 0.00 175.10 172.56 1d6k n ASP 66 N 10.89 -5.08 0.00 4.85 2.03 -0.60 -1.56 116.55 127.07 1d6k n ASP 66 Ca 0.22 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.73 1d6k n ASP 66 Cb 0.50 -4.36 0.00 0.00 -0.72 0.00 0.00 41.12 36.54 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 -0.72 0.75 3.66 0.27 0.00 -1.25 -5.09 105.19 102.81 1d6k n GLY 67 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.50 4.08 -0.41 1.61 1.02 -0.60 -5.02 119.74 119.91 1d6k s LYS 68 Ca 0.00 -0.21 -0.16 0.00 0.02 0.00 0.00 55.97 55.62 1d6k s LYS 68 Cb 0.00 -3.55 0.02 0.00 -0.52 0.00 0.00 37.83 33.78 1d6k s LYS 68 CO 0.00 0.03 0.35 -1.21 -0.92 0.00 0.00 175.35 173.60 1d6k s GLU 69 N 1.14 3.05 -0.15 1.68 2.02 -1.26 -0.33 118.70 124.85 1d6k s GLU 69 Ca 0.09 -0.90 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 1d6k s GLU 69 Cb -0.14 -3.97 -0.01 0.00 0.10 0.00 0.00 34.13 30.12 1d6k s GLU 69 CO 0.05 -0.78 -0.14 0.42 0.02 0.00 0.00 175.26 174.84 1d6k s ILE 70 N 1.86 2.87 -0.18 -1.63 1.09 0.17 -4.94 121.20 120.45 1d6k s ILE 70 Ca 0.08 -0.71 -0.24 0.00 -1.10 0.00 0.00 60.65 58.68 1d6k s ILE 70 Cb -0.18 -2.21 -0.02 0.00 -1.06 0.00 0.00 42.46 38.99 1d6k s ILE 70 CO 0.11 0.51 0.78 -0.54 -0.10 0.00 0.00 174.94 175.71 1d6k s LYS 71 N 0.64 4.27 0.10 2.79 -0.14 -1.26 -0.37 119.74 125.76 1d6k s LYS 71 Ca -0.07 0.91 -0.15 0.00 -1.36 0.00 0.00 55.97 55.30 1d6k s LYS 71 Cb -0.16 -3.58 0.03 0.00 -1.68 0.00 0.00 37.83 32.44 1d6k s LYS 71 CO 0.03 -0.32 0.36 0.14 -0.76 0.00 0.00 175.35 174.80 1d6k s VAL 72 N 2.14 0.08 -0.02 3.17 -7.23 -0.60 -1.19 120.40 116.75 1d6k s VAL 72 Ca 0.36 -0.67 0.03 0.00 -1.81 0.00 0.00 61.98 59.88 1d6k s VAL 72 Cb -0.16 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.62 1d6k s VAL 72 CO 0.11 -0.37 -0.09 -0.54 -0.31 0.00 0.00 175.10 173.90 1d6k s LYS 73 N -3.59 0.92 0.28 4.82 1.02 -0.87 -0.30 119.74 122.03 1d6k s LYS 73 Ca 0.02 -0.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 1d6k s LYS 73 Cb 0.02 -0.87 -0.10 0.00 -0.52 0.00 0.00 37.83 36.36 1d6k s LYS 73 CO -0.10 0.13 1.39 0.00 -0.92 0.00 0.00 175.35 175.86 1d6k s ALA 74 N 0.10 3.58 0.00 5.17 0.00 -1.26 -0.32 121.76 129.02 1d6k s ALA 74 Ca -0.02 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1d6k s ALA 74 Cb -0.07 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1d6k s ALA 74 CO 0.00 -0.73 0.00 1.04 0.00 0.00 0.00 175.76 176.08 1d6k n GLN 75 N 1.69 2.31 -3.35 0.00 3.00 -1.18 -4.78 117.38 115.06 1d6k n GLN 75 Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.89 1d6k n GLN 75 Cb 0.41 -0.87 -0.08 0.00 0.00 0.00 0.00 30.24 29.70 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 -2.76 1.03 0.29 1.08 2.15 -1.26 -5.05 116.67 112.16 1d6k s ASP 76 Ca 0.00 -0.95 -0.22 0.00 0.43 0.00 0.00 52.55 51.81 1d6k s ASP 76 Cb 0.00 0.74 -0.09 0.00 -0.30 0.00 0.00 42.92 43.27 1d6k s ASP 76 CO 0.00 -0.33 0.83 0.68 -0.17 0.00 0.00 175.17 176.19 1d6k s VAL 77 N 2.06 4.43 -0.19 1.11 -7.23 -1.26 -1.73 120.40 117.59 1d6k s VAL 77 Ca 0.12 1.48 0.01 0.00 -1.81 0.00 0.00 61.98 61.78 1d6k s VAL 77 Cb -0.14 -3.86 0.04 0.00 0.56 0.00 0.00 36.38 32.98 1d6k s VAL 77 CO -0.21 0.08 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.45 1d6k s GLN 78 N -2.25 2.08 0.81 4.82 -0.21 0.59 -4.98 119.66 120.53 1d6k s GLN 78 Ca 0.49 -0.79 -0.12 0.00 0.02 0.00 0.00 55.36 54.96 1d6k s GLN 78 Cb -0.16 -2.36 0.08 0.00 1.00 0.00 0.00 33.01 31.57 1d6k s GLN 78 CO 0.21 -0.39 1.10 1.03 -2.12 0.00 0.00 175.29 175.11 1d6k s ARG 79 N 1.41 2.00 0.83 2.91 1.81 -1.26 -0.54 118.95 126.10 1d6k s ARG 79 Ca -0.00 0.63 -0.10 0.00 -1.72 0.00 0.00 55.73 54.53 1d6k s ARG 79 Cb -0.16 -1.91 0.09 0.00 -0.45 0.00 0.00 34.95 32.52 1d6k s ARG 79 CO -0.09 -1.68 1.11 -1.01 -0.68 0.00 0.00 175.30 172.95 1d6k s HIS 80 N -3.15 2.25 -1.32 -0.53 3.76 0.05 -3.85 115.29 112.50 1d6k s HIS 80 Ca 0.61 1.62 0.29 0.00 -0.15 0.00 0.00 55.06 57.43 1d6k s HIS 80 Cb -0.15 -3.15 1.32 0.00 1.11 0.00 0.00 32.58 31.72 1d6k s HIS 80 CO 0.54 -2.16 1.94 -0.35 -0.85 0.00 0.00 174.74 173.87 1d6k n PRO 81 N -3.78 0.33 0.14 8.40 -0.04 -1.26 -4.61 135.00 134.18 1d6k n PRO 81 Ca 0.10 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1d6k n PRO 81 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1d6k n PRO 81 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1d6k n TYR 82 N -1.30 -2.84 -1.86 0.54 9.36 -1.26 -5.12 117.16 114.67 1d6k n TYR 82 Ca 0.12 0.69 -0.31 0.00 3.32 0.00 0.00 57.90 61.72 1d6k n TYR 82 Cb 0.28 1.53 0.02 0.00 -0.63 0.00 0.00 39.34 40.55 1d6k n TYR 82 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1d6k s LYS 83 N -2.00 3.34 0.00 2.98 -2.85 -1.26 -4.96 119.74 114.99 1d6k s LYS 83 Ca 0.00 0.94 0.00 0.00 -1.00 0.00 0.00 55.97 55.91 1d6k s LYS 83 Cb 0.00 -2.04 0.00 0.00 -2.06 0.00 0.00 37.83 33.73 1d6k s LYS 83 CO 0.00 -0.78 0.47 -0.35 0.10 0.00 0.00 175.35 174.80 1d6k n PRO 84 N -2.59 0.83 0.00 1.78 -0.04 -1.26 -4.15 135.00 129.56 1d6k n PRO 84 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1d6k n PRO 84 Cb 0.54 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.00 0.49 -4.67 0.54 4.76 -1.26 -4.80 118.16 113.23 1d6k n LYS 85 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 1d6k n LYS 85 Cb 0.18 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.21 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 2.00 -0.06 -0.35 1.43 -1.26 -0.77 118.68 119.66 1d6k s LEU 86 Ca 0.00 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1d6k s LEU 86 Cb 0.00 -0.76 -0.27 0.00 0.03 0.00 0.00 46.19 45.20 1d6k s LEU 86 CO 0.00 0.17 0.59 1.56 0.23 0.00 0.00 176.35 178.90 1d6k h GLN 87 N 5.88 0.23 -1.57 1.70 1.08 -0.92 -3.41 115.11 118.09 1d6k h GLN 87 Ca -0.34 -0.39 0.20 0.00 -1.45 0.00 0.00 58.65 56.66 1d6k h GLN 87 Cb 1.16 0.15 -0.20 0.00 -0.05 0.00 0.00 27.48 28.54 1d6k h GLN 87 CO 0.49 1.06 0.73 -1.58 -0.95 0.00 0.00 178.83 178.58 1d6k s HIS 88 N -2.58 -0.20 -0.01 2.96 5.04 -1.18 -4.75 115.29 114.57 1d6k s HIS 88 Ca -0.15 0.20 -0.09 0.00 -1.54 0.00 0.00 55.06 53.49 1d6k s HIS 88 Cb 0.07 0.50 0.01 0.00 0.04 0.00 0.00 32.58 33.20 1d6k s HIS 88 CO 0.81 -0.26 0.18 0.42 -2.34 0.00 0.00 174.74 173.55 1d6k s ILE 89 N -2.10 0.07 0.30 0.89 1.01 -1.25 -0.30 121.20 119.82 1d6k s ILE 89 Ca 0.06 -0.58 0.11 0.00 0.00 0.00 0.00 60.65 60.24 1d6k s ILE 89 Cb -0.01 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.95 1d6k s ILE 89 CO -0.05 -0.32 -0.17 1.51 0.00 0.00 0.00 174.94 175.91 1d6k s ASP 90 N -1.24 3.64 0.13 3.58 1.47 -0.70 -2.64 116.67 120.91 1d6k s ASP 90 Ca -0.13 -1.07 0.05 0.00 1.18 0.00 0.00 52.55 52.58 1d6k s ASP 90 Cb -0.07 -0.32 -0.04 0.00 -0.34 0.00 0.00 42.92 42.16 1d6k s ASP 90 CO 0.02 -0.03 -0.12 -0.36 0.68 0.00 0.00 175.17 175.37 1d6k s PHE 91 N -2.54 1.32 0.10 2.11 0.08 -0.08 -3.10 117.98 115.88 1d6k s PHE 91 Ca 0.31 -0.65 0.04 0.00 0.12 0.00 0.00 56.93 56.75 1d6k s PHE 91 Cb -0.03 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.70 1d6k s PHE 91 CO 0.15 0.12 0.04 0.14 -0.10 0.00 0.00 175.22 175.57 1d6k s VAL 92 N -2.71 4.22 -0.75 -0.44 -7.23 0.56 -0.72 120.40 113.32 1d6k s VAL 92 Ca 0.12 -0.96 -0.25 0.00 -1.81 0.00 0.00 61.98 59.08 1d6k s VAL 92 Cb -0.01 -3.04 -0.14 0.00 0.56 0.00 0.00 36.38 33.74 1d6k s VAL 92 CO 0.02 0.08 2.41 0.54 -0.31 0.00 0.00 175.10 177.83 1d6k n ARG 93 N 0.36 0.60 0.00 4.82 5.12 -0.16 -2.04 116.66 125.36 1d6k n ARG 93 Ca -0.10 -0.65 0.16 0.00 -1.93 0.00 0.00 57.85 55.33 1d6k n ARG 93 Cb 0.52 -3.46 0.88 0.00 -1.16 0.00 0.00 32.46 29.24 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70