#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 -0.49 -5.08 3.17 0.04 -1.97 -3.49 116.94 109.11 1d6k h PHE 2 Ca 0.00 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1d6k h PHE 2 Cb 0.00 0.19 -0.11 0.00 2.20 0.00 0.00 35.95 38.23 1d6k h PHE 2 CO 0.00 -0.25 -1.36 2.41 -0.60 0.00 0.00 178.31 178.51 1d6k n THR 3 N -3.40-11.64 -3.44 -1.55 -1.04 -1.26 -4.94 114.28 87.02 1d6k n THR 3 Ca -0.05 2.53 -0.43 0.00 -2.04 0.00 0.00 64.05 64.07 1d6k n THR 3 Cb 0.17 -6.03 -0.03 0.00 -1.82 0.00 0.00 70.33 62.62 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 -0.58 5.29 -0.13 12.58 -1.09 -0.15 -4.88 121.20 132.24 1d6k s ILE 4 Ca -0.23 -3.09 -0.29 0.00 -2.23 0.00 0.00 60.65 54.81 1d6k s ILE 4 Cb 0.02 -4.25 -0.07 0.00 -1.58 0.00 0.00 42.46 36.58 1d6k s ILE 4 CO 0.62 -1.07 2.13 0.59 -1.23 0.00 0.00 174.94 175.98 1d6k n ASN 5 N 3.21 3.57 -0.39 3.58 5.03 -1.26 -3.23 115.26 125.76 1d6k n ASN 5 Ca 0.18 0.47 0.00 0.00 0.87 0.00 0.00 54.58 56.09 1d6k n ASN 5 Cb 0.42 -1.54 0.00 0.00 -1.02 0.00 0.00 39.78 37.64 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 10.12 0.00 -3.56 5.41 0.00 -0.89 -4.42 120.51 127.16 1d6k n ALA 6 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.58 1d6k n ALA 6 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 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 0.61 0.70 0.45 0.00 -1.05 -0.52 -2.14 118.70 116.75 1d6k s GLU 7 Ca 0.00 0.92 -0.25 0.00 -0.15 0.00 0.00 54.97 55.50 1d6k s GLU 7 Cb 0.00 0.29 -0.08 0.00 -0.44 0.00 0.00 34.13 33.91 1d6k s GLU 7 CO 0.00 -0.10 1.33 0.14 0.95 0.00 0.00 175.26 177.58 1d6k s VAL 8 N 0.62 2.43 -0.00 1.83 -7.23 -1.26 -0.44 120.40 116.34 1d6k s VAL 8 Ca -0.02 0.36 -0.10 0.00 -1.81 0.00 0.00 61.98 60.41 1d6k s VAL 8 Cb -0.05 -3.20 0.01 0.00 0.56 0.00 0.00 36.38 33.70 1d6k s VAL 8 CO -0.04 0.03 0.20 0.00 -0.31 0.00 0.00 175.10 174.99 1d6k s ARG 9 N -2.49 0.56 0.00 4.82 1.04 -0.41 -4.79 118.95 117.68 1d6k s ARG 9 Ca 0.62 -0.34 0.00 0.00 -1.04 0.00 0.00 55.73 54.97 1d6k s ARG 9 Cb -0.39 0.24 0.00 0.00 -2.04 0.00 0.00 34.95 32.76 1d6k s ARG 9 CO 0.49 -0.14 0.45 1.63 -0.04 0.00 0.00 175.30 177.68 1d6k n LYS 10 N 1.35 0.02 0.00 3.89 4.76 -1.26 -4.30 118.16 122.62 1d6k n LYS 10 Ca -0.22 -0.53 0.02 0.00 -2.87 0.00 0.00 58.31 54.70 1d6k n LYS 10 Cb 0.56 -0.82 0.10 0.00 -1.84 0.00 0.00 35.03 33.03 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 -0.08 0.40 -0.15 1.97 1.02 -1.26 -4.59 120.64 117.95 1d6k n GLU 11 Ca 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 57.16 57.41 1d6k n GLU 11 Cb 0.15 -1.14 0.72 0.00 -0.02 0.00 0.00 31.44 31.16 1d6k n GLU 11 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1d6k h GLN 12 N 0.00 0.00 -2.40 3.49 -0.00 -1.96 0.06 115.11 114.30 1d6k h GLN 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1d6k h GLN 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1d6k h GLN 12 CO 0.00 0.00 0.14 0.41 -0.00 0.00 0.00 178.83 179.38 1d6k n GLY 13 N -1.70 0.48 4.22 0.06 0.00 -1.26 -4.42 105.19 102.57 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 1.17 0.00 0.00 0.00 173.32 174.49 1d6k n LYS 14 N 2.02 0.00 0.05 1.61 0.00 -1.26 -4.83 118.16 115.76 1d6k n LYS 14 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.28 1d6k n LYS 14 Cb 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 35.03 33.34 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 -0.78 1.40 3.14 0.00 -1.77 -2.86 103.07 102.20 1d6k h GLY 15 Ca 0.00 0.34 0.07 0.00 0.00 0.00 0.00 47.33 47.74 1d6k h GLY 15 CO 0.00 -0.28 0.24 0.00 0.00 0.00 0.00 176.54 176.50 1d6k h ALA 16 N -1.61 1.92 -0.19 3.60 0.00 -1.22 -2.66 119.26 119.11 1d6k h ALA 16 Ca -0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1d6k h ALA 16 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1d6k h ALA 16 CO -0.01 -0.36 -0.45 0.77 0.00 0.00 0.00 179.25 179.20 1d6k h SER 17 N 0.00 0.51 0.67 0.00 0.02 -1.75 -0.26 113.55 112.75 1d6k h SER 17 Ca 0.11 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1d6k h SER 17 Cb 0.58 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1d6k h SER 17 CO -0.00 0.89 -1.11 -2.11 -1.14 0.00 0.00 176.83 173.35 1d6k n ARG 18 N -4.00 0.49 0.00 3.45 -4.01 -1.05 -2.96 116.66 108.57 1d6k n ARG 18 Ca -0.02 0.03 -0.17 0.00 -1.04 0.00 0.00 57.85 56.65 1d6k n ARG 18 Cb 0.53 -1.70 -0.13 0.00 -3.04 0.00 0.00 32.46 28.12 1d6k n ARG 18 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1d6k h ARG 19 N 0.00 0.22 0.13 2.89 3.08 -1.20 -2.47 114.38 117.02 1d6k h ARG 19 Ca 0.00 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 1d6k h ARG 19 Cb 0.89 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1d6k h ARG 19 CO 0.00 1.10 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.87 1d6k h LEU 20 N -0.50 -0.15 -2.44 3.04 4.07 -1.20 -2.18 115.31 115.96 1d6k h LEU 20 Ca -0.08 -0.29 -0.00 0.00 0.08 0.00 0.00 57.88 57.59 1d6k h LEU 20 Cb 1.32 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 43.09 1d6k h LEU 20 CO 0.09 0.22 -0.02 0.08 -1.08 0.00 0.00 178.44 177.73 1d6k h ARG 21 N -0.54 0.00 0.00 1.13 -0.00 -1.44 -0.03 114.38 113.50 1d6k h ARG 21 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.96 1d6k h ARG 21 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.39 1d6k h ARG 21 CO 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 179.97 180.02 1d6k h ALA 22 N 1.98 1.00 -0.02 0.08 0.00 -0.91 -3.18 119.26 118.21 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 -1.89 2.17 -0.93 0.00 0.00 -0.17 -4.99 120.51 114.71 1d6k n ALA 23 Ca 0.03 -1.86 0.00 0.00 0.00 0.00 0.00 53.44 51.61 1d6k n ALA 23 Cb 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.93 -3.97 -4.26 0.00 3.02 -0.54 -4.99 115.26 103.59 1d6k n ASN 24 Ca 0.09 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.36 1d6k n ASN 24 Cb 0.47 -2.33 0.17 0.00 -0.61 0.00 0.00 39.78 37.48 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 -1.20 0.87 -0.02 3.52 1.02 -0.36 -3.07 119.74 120.50 1d6k s LYS 25 Ca 0.00 -0.76 -0.29 0.00 0.02 0.00 0.00 55.97 54.95 1d6k s LYS 25 Cb 0.00 -2.02 0.09 0.00 -0.52 0.00 0.00 37.83 35.38 1d6k s LYS 25 CO 0.00 -2.16 0.79 -0.59 -0.92 0.00 0.00 175.35 172.47 1d6k s PHE 26 N -3.65 -0.49 0.64 3.18 -0.71 -0.62 -3.04 117.98 113.29 1d6k s PHE 26 Ca 0.73 0.62 -0.14 0.00 -1.04 0.00 0.00 56.93 57.10 1d6k s PHE 26 Cb -0.03 0.48 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 1d6k s PHE 26 CO 0.50 -0.58 1.06 -1.25 -1.34 0.00 0.00 175.22 173.61 1d6k s PRO 27 N -2.19 3.13 0.31 1.99 0.04 -1.26 -3.19 135.00 133.84 1d6k s PRO 27 Ca -0.02 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.19 1d6k s PRO 27 Cb -0.01 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1d6k s PRO 27 CO -0.01 -0.96 0.29 0.00 0.04 0.00 0.00 177.00 176.36 1d6k s ALA 28 N -2.65 1.56 0.09 8.56 0.00 -0.66 -3.96 121.76 124.70 1d6k s ALA 28 Ca 0.62 -1.92 0.03 0.00 0.00 0.00 0.00 51.96 50.69 1d6k s ALA 28 Cb -0.16 1.41 -0.03 0.00 0.00 0.00 0.00 23.12 24.34 1d6k s ALA 28 CO 0.43 -0.67 -0.10 -1.50 0.00 0.00 0.00 175.76 173.93 1d6k s ILE 29 N -3.51 0.87 -0.47 0.00 1.10 -0.73 -2.33 121.20 116.12 1d6k s ILE 29 Ca 0.39 -1.57 0.03 0.00 -0.51 0.00 0.00 60.65 58.99 1d6k s ILE 29 Cb 0.03 -1.27 0.13 0.00 0.15 0.00 0.00 42.46 41.50 1d6k s ILE 29 CO 0.24 -0.55 0.23 -0.63 -2.11 0.00 0.00 174.94 172.12 1d6k s ILE 30 N -2.35 2.10 0.16 2.00 1.01 -0.09 -1.27 121.20 122.76 1d6k s ILE 30 Ca 0.03 -2.90 0.01 0.00 0.00 0.00 0.00 60.65 57.79 1d6k s ILE 30 Cb -0.03 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.98 1d6k s ILE 30 CO -0.00 -0.81 0.11 0.00 0.00 0.00 0.00 174.94 174.24 1d6k n TYR 31 N 3.42 -1.08 -1.02 3.97 0.18 0.07 -0.67 117.16 122.03 1d6k n TYR 31 Ca 0.06 -0.70 -0.01 0.00 1.88 0.00 0.00 57.90 59.13 1d6k n TYR 31 Cb 0.34 -0.13 -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 3.03 0.48 0.29 -7.48 0.00 -1.26 -0.57 105.19 99.68 1d6k n GLY 32 Ca -0.01 -0.63 0.18 0.00 0.00 0.00 0.00 46.02 45.56 1d6k n GLY 32 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1d6k h GLY 33 N 0.00 0.00 0.00 -0.02 0.00 -1.86 -3.42 103.07 97.77 1d6k h GLY 33 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1d6k h GLY 33 CO 0.03 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.74 1d6k n LYS 34 N -3.13 0.00 0.00 4.80 3.00 -1.26 -4.61 118.16 116.96 1d6k n LYS 34 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1d6k n LYS 34 Cb 0.26 -2.12 0.00 0.00 0.00 0.00 0.00 35.03 33.17 1d6k n LYS 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1d6k n GLU 35 N -1.67 0.00 -3.60 1.64 -0.58 -1.26 -5.10 120.64 110.07 1d6k n GLU 35 Ca 0.00 0.03 -0.08 0.00 -0.42 0.00 0.00 57.16 56.68 1d6k n GLU 35 Cb 0.00 -0.30 -0.02 0.00 -0.57 0.00 0.00 31.44 30.55 1d6k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1d6k s ALA 36 N -3.98 -1.58 1.00 0.62 0.00 -1.26 -5.15 121.76 111.41 1d6k s ALA 36 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1d6k s ALA 36 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1d6k s ALA 36 CO 0.00 -0.86 0.00 -2.30 0.00 0.00 0.00 175.76 172.60 1d6k n PRO 37 N -0.38 -0.47 -3.28 0.00 -0.02 -1.26 -4.46 135.00 125.13 1d6k n PRO 37 Ca -0.10 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.33 1d6k n PRO 37 Cb 0.62 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.05 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 -0.93 0.20 2.45 2.96 0.16 -4.95 118.68 118.56 1d6k s LEU 38 Ca 0.00 0.21 -0.30 0.00 -0.22 0.00 0.00 54.13 53.82 1d6k s LEU 38 Cb 0.00 1.43 -0.08 0.00 0.50 0.00 0.00 46.19 48.04 1d6k s LEU 38 CO 0.00 -0.31 1.16 0.00 -1.32 0.00 0.00 176.35 175.89 1d6k s ALA 39 N 2.64 3.42 -0.01 5.97 0.00 -1.26 -0.91 121.76 131.60 1d6k s ALA 39 Ca 0.13 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1d6k s ALA 39 Cb -0.14 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1d6k s ALA 39 CO -0.22 -0.31 0.00 0.96 0.00 0.00 0.00 175.76 176.19 1d6k s ILE 40 N -0.24 0.08 -0.36 0.00 -0.00 -0.99 -1.29 121.20 118.41 1d6k s ILE 40 Ca 0.51 0.06 -0.26 0.00 -0.00 0.00 0.00 60.65 60.96 1d6k s ILE 40 Cb -0.32 -0.14 0.01 0.00 -0.00 0.00 0.00 42.46 42.01 1d6k s ILE 40 CO 0.37 0.08 0.93 -0.70 -0.00 0.00 0.00 174.94 175.61 1d6k s GLU 41 N 0.55 3.88 0.24 0.37 2.12 0.41 -1.65 118.70 124.62 1d6k s GLU 41 Ca -0.05 0.63 0.03 0.00 0.36 0.00 0.00 54.97 55.94 1d6k s GLU 41 Cb -0.07 -3.79 -0.05 0.00 0.26 0.00 0.00 34.13 30.48 1d6k s GLU 41 CO -0.01 -0.91 0.02 -0.48 -0.54 0.00 0.00 175.26 173.33 1d6k s LEU 42 N 3.43 2.10 0.11 2.70 2.34 -1.19 -1.44 118.68 126.73 1d6k s LEU 42 Ca 0.38 -1.26 -0.30 0.00 0.06 0.00 0.00 54.13 53.01 1d6k s LEU 42 Cb -0.12 -0.23 -0.06 0.00 -0.56 0.00 0.00 46.19 45.22 1d6k s LEU 42 CO 0.18 -0.56 1.16 -0.62 -1.06 0.00 0.00 176.35 175.45 1d6k s ASP 43 N -3.32 7.15 -0.01 1.48 -1.08 -1.26 -1.59 116.67 118.04 1d6k s ASP 43 Ca 0.30 2.06 -0.25 0.00 -0.52 0.00 0.00 52.55 54.14 1d6k s ASP 43 Cb 0.06 -2.59 -0.19 0.00 -1.46 0.00 0.00 42.92 38.74 1d6k s ASP 43 CO 0.10 -0.37 1.29 -0.74 0.52 0.00 0.00 175.17 175.96 1d6k h HIS 44 N 6.04 -0.07 0.00 -5.34 -0.00 -1.82 -2.38 115.15 111.59 1d6k h HIS 44 Ca -0.43 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 59.87 1d6k h HIS 44 Cb 1.21 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.64 1d6k h HIS 44 CO 0.65 0.35 -0.35 0.22 -0.00 0.00 0.00 177.93 178.80 1d6k h ASP 45 N -0.50 0.00 0.00 3.26 3.58 -1.94 0.13 116.42 120.95 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 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1d6k h ASP 45 CO 0.01 0.35 0.00 1.17 -2.88 0.00 0.00 179.24 177.89 1d6k n LYS 46 N -3.99 0.00 0.22 0.28 4.81 -1.24 -3.26 118.16 114.97 1d6k n LYS 46 Ca -0.02 0.24 0.16 0.00 -0.87 0.00 0.00 58.31 57.82 1d6k n LYS 46 Cb 0.40 -1.23 0.81 0.00 0.02 0.00 0.00 35.03 35.02 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 0.59 0.05 3.15 3.04 -1.13 -0.06 116.25 121.90 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 0.89 -0.04 0.00 -2.01 0.00 0.00 31.29 30.13 1d6k h VAL 47 CO 0.00 0.00 -0.40 -0.03 -1.01 0.00 0.00 177.57 176.13 1d6k h MET 48 N 0.00 -0.53 -0.07 4.17 1.85 -0.85 0.13 114.93 119.63 1d6k h MET 48 Ca 0.07 0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.21 1d6k h MET 48 Cb 0.35 0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.50 1d6k h MET 48 CO -0.00 -0.35 0.15 -0.97 -0.40 0.00 0.00 176.91 175.34 1d6k h ASN 49 N -0.55 0.00 0.00 1.39 -1.24 -0.99 -0.75 115.58 113.45 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 0.56 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.61 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 -1.04 -3.33 114.93 120.09 1d6k h MET 50 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1d6k h MET 50 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1d6k h MET 50 CO -0.00 0.00 0.26 0.37 1.06 0.00 0.00 176.91 178.60 1d6k h GLN 51 N -0.34 0.00 0.00 1.72 -0.00 -0.77 -1.78 115.11 113.94 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 -1.78 1.84 -2.43 3.38 0.00 -0.29 -4.65 120.51 116.58 1d6k n ALA 52 Ca -0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 1d6k n ALA 52 Cb 0.30 -1.25 -0.11 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.60 1.39 0.51 0.00 0.00 -0.67 -5.04 119.74 113.32 1d6k s LYS 53 Ca 0.14 -1.53 0.30 0.00 0.00 0.00 0.00 55.97 54.87 1d6k s LYS 53 Cb 0.10 -1.41 1.10 0.00 0.00 0.00 0.00 37.83 37.63 1d6k s LYS 53 CO 0.24 0.27 1.89 0.00 0.00 0.00 0.00 175.35 177.74 1d6k h ALA 54 N 2.88 1.00 -0.09 0.59 0.00 -1.87 -2.43 119.26 119.35 1d6k h ALA 54 Ca -0.41 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1d6k h ALA 54 Cb 1.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1d6k h ALA 54 CO 0.55 0.08 0.15 0.93 0.00 0.00 0.00 179.25 180.96 1d6k h GLU 55 N 0.00 0.00 0.12 0.00 5.08 -1.93 -1.87 114.58 115.98 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 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1d6k h GLU 55 CO 0.01 0.00 -0.06 0.35 -1.00 0.00 0.00 179.01 178.31 1d6k h PHE 56 N 0.00 -0.15 0.00 4.33 3.57 -1.63 -0.46 116.94 122.60 1d6k h PHE 56 Ca 0.04 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.37 1d6k h PHE 56 Cb 0.35 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1d6k h PHE 56 CO 0.00 0.33 -0.82 0.10 -2.23 0.00 0.00 178.31 175.69 1d6k h TYR 57 N -0.76 0.01 0.24 0.41 -0.00 -1.69 -3.30 116.97 111.87 1d6k h TYR 57 Ca -0.02 -0.00 -0.32 0.00 0.00 0.00 0.00 58.73 58.38 1d6k h TYR 57 Cb 0.55 -0.00 0.03 0.00 0.00 0.00 0.00 36.73 37.31 1d6k h TYR 57 CO 0.10 0.82 -1.45 1.03 -0.00 0.00 0.00 178.16 178.65 1d6k h SER 58 N 0.00 0.79 -3.12 0.10 0.87 -1.45 -3.36 113.55 107.38 1d6k h SER 58 Ca -0.01 -0.93 -0.62 0.00 -1.23 0.00 0.00 61.79 59.00 1d6k h SER 58 Cb 1.44 -0.26 -0.35 0.00 -0.44 0.00 0.00 62.40 62.79 1d6k h SER 58 CO 0.11 1.69 -0.84 -1.61 -0.53 0.00 0.00 176.83 175.65 1d6k s GLU 59 N -2.58 2.51 0.50 2.24 2.02 -0.18 -5.06 118.70 118.14 1d6k s GLU 59 Ca -0.10 -0.64 -0.21 0.00 0.02 0.00 0.00 54.97 54.03 1d6k s GLU 59 Cb 0.04 -2.23 -0.09 0.00 0.10 0.00 0.00 34.13 31.95 1d6k s GLU 59 CO 0.92 -0.21 0.82 1.55 0.02 0.00 0.00 175.26 178.36 1d6k n VAL 60 N 4.66 2.59 -4.20 2.63 3.14 -1.26 -4.36 118.33 121.53 1d6k n VAL 60 Ca -0.18 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.46 1d6k n VAL 60 Cb 0.50 -0.95 -0.06 0.00 -1.06 0.00 0.00 33.84 32.27 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 -0.24 3.45 -0.40 6.55 1.43 0.79 -4.83 118.68 125.43 1d6k s LEU 61 Ca 0.67 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1d6k s LEU 61 Cb -0.50 -2.01 0.11 0.00 0.03 0.00 0.00 46.19 43.81 1d6k s LEU 61 CO 0.54 0.02 0.16 -0.89 0.23 0.00 0.00 176.35 176.41 1d6k s THR 62 N -2.07 2.90 -0.41 5.49 2.01 -1.26 -1.69 115.64 120.61 1d6k s THR 62 Ca 0.31 -2.28 -0.29 0.00 0.31 0.00 0.00 61.69 59.74 1d6k s THR 62 Cb -0.08 -3.03 0.01 0.00 0.01 0.00 0.00 72.50 69.41 1d6k s THR 62 CO 0.21 -0.67 1.32 -0.63 -0.69 0.00 0.00 174.62 174.16 1d6k s ILE 63 N 0.91 4.03 -1.11 1.82 -1.09 0.80 -0.98 121.20 125.57 1d6k s ILE 63 Ca 0.10 1.07 -0.12 0.00 -2.23 0.00 0.00 60.65 59.47 1d6k s ILE 63 Cb -0.21 -4.31 0.22 0.00 -1.58 0.00 0.00 42.46 36.57 1d6k s ILE 63 CO -0.05 -0.78 1.22 -0.69 -1.23 0.00 0.00 174.94 173.41 1d6k s VAL 64 N 4.99 5.46 -0.77 2.92 1.01 -1.20 -0.51 120.40 132.30 1d6k s VAL 64 Ca 0.57 -2.86 -0.26 0.00 0.00 0.00 0.00 61.98 59.43 1d6k s VAL 64 Cb -0.12 -4.74 -0.00 0.00 0.00 0.00 0.00 36.38 31.51 1d6k s VAL 64 CO 0.31 -1.39 1.67 0.68 0.00 0.00 0.00 175.10 176.37 1d6k s VAL 65 N 0.39 3.55 -1.44 2.92 -7.23 0.29 -2.09 120.40 116.79 1d6k s VAL 65 Ca 0.35 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1d6k s VAL 65 Cb -0.07 -4.36 0.00 0.00 0.56 0.00 0.00 36.38 32.51 1d6k s VAL 65 CO -0.05 -1.31 0.00 -0.67 -0.31 0.00 0.00 175.10 172.76 1d6k n ASP 66 N 11.61 -4.64 0.00 4.85 2.03 -0.91 -1.59 116.55 127.89 1d6k n ASP 66 Ca 0.22 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.70 1d6k n ASP 66 Cb 0.50 -3.97 0.00 0.00 -0.72 0.00 0.00 41.12 36.93 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 -0.77 0.62 3.64 0.27 0.00 -1.24 -5.09 105.19 102.62 1d6k n GLY 67 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.68 4.03 -0.41 1.61 1.02 -0.62 -5.02 119.74 119.67 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 -3.51 0.05 0.00 -0.52 0.00 0.00 37.83 33.85 1d6k s LYS 68 CO 0.00 0.05 0.27 -1.21 -0.92 0.00 0.00 175.35 173.54 1d6k s GLU 69 N 1.09 2.83 -0.16 1.68 2.02 -1.26 -0.55 118.70 124.35 1d6k s GLU 69 Ca 0.07 -1.21 -0.01 0.00 0.02 0.00 0.00 54.97 53.84 1d6k s GLU 69 Cb -0.14 -3.86 -0.01 0.00 0.10 0.00 0.00 34.13 30.22 1d6k s GLU 69 CO 0.05 -0.83 -0.11 0.42 0.02 0.00 0.00 175.26 174.81 1d6k s ILE 70 N 1.56 3.07 -0.15 -1.63 1.09 0.33 -4.89 121.20 120.60 1d6k s ILE 70 Ca 0.03 -0.63 -0.26 0.00 -1.10 0.00 0.00 60.65 58.69 1d6k s ILE 70 Cb -0.21 -2.32 -0.02 0.00 -1.06 0.00 0.00 42.46 38.85 1d6k s ILE 70 CO 0.06 0.50 0.86 -0.54 -0.10 0.00 0.00 174.94 175.72 1d6k s LYS 71 N 0.72 4.34 0.16 2.79 -0.14 -1.26 -0.14 119.74 126.20 1d6k s LYS 71 Ca -0.05 1.09 -0.16 0.00 -1.36 0.00 0.00 55.97 55.49 1d6k s LYS 71 Cb -0.15 -3.56 0.03 0.00 -1.68 0.00 0.00 37.83 32.47 1d6k s LYS 71 CO 0.02 -0.29 0.44 0.14 -0.76 0.00 0.00 175.35 174.89 1d6k s VAL 72 N 2.00 0.05 -0.08 3.17 -7.23 -0.68 -1.31 120.40 116.32 1d6k s VAL 72 Ca 0.41 -0.74 -0.11 0.00 -1.81 0.00 0.00 61.98 59.73 1d6k s VAL 72 Cb -0.17 -1.40 0.02 0.00 0.56 0.00 0.00 36.38 35.40 1d6k s VAL 72 CO 0.14 -0.24 0.28 -1.59 -0.31 0.00 0.00 175.10 173.39 1d6k s LYS 73 N -3.85 0.41 0.10 4.82 -2.85 -0.95 -0.15 119.74 117.28 1d6k s LYS 73 Ca 0.07 0.22 -0.31 0.00 -1.00 0.00 0.00 55.97 54.95 1d6k s LYS 73 Cb 0.01 0.19 -0.08 0.00 -2.06 0.00 0.00 37.83 35.89 1d6k s LYS 73 CO -0.07 -0.07 1.44 0.00 0.10 0.00 0.00 175.35 176.75 1d6k s ALA 74 N -0.26 3.62 -0.04 0.59 0.00 -1.26 -0.34 121.76 124.07 1d6k s ALA 74 Ca -0.04 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.09 1d6k s ALA 74 Cb -0.03 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 1d6k s ALA 74 CO 0.01 -0.73 0.12 1.04 0.00 0.00 0.00 175.76 176.20 1d6k n GLN 75 N 4.34 0.95 -3.32 0.00 3.00 -1.01 -4.67 117.38 116.67 1d6k n GLN 75 Ca 0.12 -0.04 -0.10 0.00 -0.01 0.00 0.00 57.00 56.97 1d6k n GLN 75 Cb 0.42 -1.05 -0.06 0.00 0.00 0.00 0.00 30.24 29.54 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 -2.38 0.57 0.06 1.08 2.15 -1.20 -5.06 116.67 111.89 1d6k s ASP 76 Ca -0.01 -0.58 -0.09 0.00 0.43 0.00 0.00 52.55 52.30 1d6k s ASP 76 Cb 0.03 1.00 -0.05 0.00 -0.30 0.00 0.00 42.92 43.60 1d6k s ASP 76 CO 0.20 -0.34 0.36 0.68 -0.17 0.00 0.00 175.17 175.89 1d6k s VAL 77 N 2.38 5.16 -0.26 1.11 -7.23 -1.26 -0.70 120.40 119.59 1d6k s VAL 77 Ca 0.11 0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.64 1d6k s VAL 77 Cb -0.13 -3.62 0.04 0.00 0.56 0.00 0.00 36.38 33.24 1d6k s VAL 77 CO -0.27 0.31 -0.07 -1.10 -0.31 0.00 0.00 175.10 173.67 1d6k s GLN 78 N -1.86 2.52 0.67 4.82 -0.21 0.45 -4.99 119.66 121.06 1d6k s GLN 78 Ca 0.31 -1.18 -0.10 0.00 0.02 0.00 0.00 55.36 54.41 1d6k s GLN 78 Cb -0.14 -2.99 0.01 0.00 1.00 0.00 0.00 33.01 30.90 1d6k s GLN 78 CO 0.17 -0.51 1.04 1.03 -2.12 0.00 0.00 175.29 174.90 1d6k s ARG 79 N 1.22 2.88 0.84 2.91 1.81 -1.26 -0.63 118.95 126.72 1d6k s ARG 79 Ca -0.04 0.32 -0.11 0.00 -1.72 0.00 0.00 55.73 54.18 1d6k s ARG 79 Cb -0.18 -2.09 0.10 0.00 -0.45 0.00 0.00 34.95 32.32 1d6k s ARG 79 CO -0.04 -0.94 1.10 -1.01 -0.68 0.00 0.00 175.30 173.73 1d6k s HIS 80 N -3.25 2.34 -0.12 -0.53 3.76 -0.17 -4.37 115.29 112.95 1d6k s HIS 80 Ca 0.57 1.48 0.15 0.00 -0.15 0.00 0.00 55.06 57.11 1d6k s HIS 80 Cb -0.11 -3.12 -0.03 0.00 1.11 0.00 0.00 32.58 30.43 1d6k s HIS 80 CO 0.50 -2.17 1.19 -1.00 -0.85 0.00 0.00 174.74 172.41 1d6k h PRO 81 N -1.40 0.00 0.00 8.40 0.13 -1.98 -3.40 132.00 133.75 1d6k h PRO 81 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1d6k h PRO 81 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1d6k h PRO 81 CO 0.51 0.46 -0.02 0.98 -0.23 0.00 0.00 178.00 179.70 1d6k n TYR 82 N -3.11 0.00 -4.38 1.56 4.19 -1.26 -5.11 117.16 109.05 1d6k n TYR 82 Ca -0.03 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 60.96 1d6k n TYR 82 Cb 0.79 0.06 -0.11 0.00 0.49 0.00 0.00 39.34 40.58 1d6k n TYR 82 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 1d6k s LYS 83 N 0.00 1.43 -0.77 2.98 3.01 -1.26 -5.04 119.74 120.09 1d6k s LYS 83 Ca 0.00 -1.56 -0.07 0.00 -1.01 0.00 0.00 55.97 53.32 1d6k s LYS 83 Cb 0.00 -1.46 -0.16 0.00 -1.01 0.00 0.00 37.83 35.20 1d6k s LYS 83 CO 0.00 0.28 3.07 -0.35 0.51 0.00 0.00 175.35 178.86 1d6k n PRO 84 N -0.12 2.63 -3.61 -1.68 -0.04 -1.26 -4.27 135.00 126.65 1d6k n PRO 84 Ca -0.10 -1.50 -0.18 0.00 -0.04 0.00 0.00 63.50 61.69 1d6k n PRO 84 Cb 0.59 -2.35 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 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 3.14 0.91 -4.32 0.54 4.76 -1.26 -5.01 118.16 116.92 1d6k n LYS 85 Ca 0.56 -2.27 -0.17 0.00 -2.87 0.00 0.00 58.31 53.56 1d6k n LYS 85 Cb 0.51 0.98 -0.10 0.00 -1.84 0.00 0.00 35.03 34.58 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 2.55 0.00 -0.35 1.43 -1.26 -1.00 118.68 120.05 1d6k s LEU 86 Ca 0.08 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 1d6k s LEU 86 Cb 0.00 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1d6k s LEU 86 CO 0.06 -0.21 0.00 0.00 0.23 0.00 0.00 176.35 176.43 1d6k n GLN 87 N -0.31 2.19 -3.63 1.70 6.02 0.20 -4.55 117.38 119.00 1d6k n GLN 87 Ca -0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.87 1d6k n GLN 87 Cb 0.60 -0.94 -0.02 0.00 1.02 0.00 0.00 30.24 30.90 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 -1.84 -0.06 -0.00 1.08 5.04 -1.19 -4.75 115.29 113.58 1d6k s HIS 88 Ca 0.00 0.05 -0.06 0.00 -1.54 0.00 0.00 55.06 53.51 1d6k s HIS 88 Cb 0.00 0.50 -0.00 0.00 0.04 0.00 0.00 32.58 33.12 1d6k s HIS 88 CO 0.00 -0.09 0.11 0.42 -2.34 0.00 0.00 174.74 172.84 1d6k s ILE 89 N -1.99 0.08 -0.14 0.89 1.01 -1.25 -0.41 121.20 119.37 1d6k s ILE 89 Ca 0.10 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1d6k s ILE 89 Cb -0.01 -0.37 0.03 0.00 0.01 0.00 0.00 42.46 42.12 1d6k s ILE 89 CO -0.04 -0.35 -0.06 -1.81 0.00 0.00 0.00 174.94 172.68 1d6k s ASP 90 N -1.22 2.52 -0.07 3.58 1.11 0.12 -1.77 116.67 120.94 1d6k s ASP 90 Ca -0.13 -0.49 -0.01 0.00 0.18 0.00 0.00 52.55 52.10 1d6k s ASP 90 Cb -0.07 -0.87 -0.03 0.00 1.07 0.00 0.00 42.92 43.01 1d6k s ASP 90 CO 0.01 -0.16 -0.01 -0.36 1.18 0.00 0.00 175.17 175.84 1d6k s PHE 91 N 1.68 3.12 0.15 4.23 0.08 -0.40 -2.42 117.98 124.42 1d6k s PHE 91 Ca 0.03 0.15 -0.08 0.00 0.12 0.00 0.00 56.93 57.14 1d6k s PHE 91 Cb -0.14 -1.75 -0.06 0.00 -0.57 0.00 0.00 43.02 40.49 1d6k s PHE 91 CO -0.08 0.45 0.45 0.14 -0.10 0.00 0.00 175.22 176.08 1d6k s VAL 92 N -0.92 5.05 -0.73 -0.44 -7.23 0.53 -0.75 120.40 115.92 1d6k s VAL 92 Ca 0.14 0.34 -0.26 0.00 -1.81 0.00 0.00 61.98 60.39 1d6k s VAL 92 Cb -0.11 -3.64 -0.13 0.00 0.56 0.00 0.00 36.38 33.06 1d6k s VAL 92 CO 0.04 0.09 2.42 0.54 -0.31 0.00 0.00 175.10 177.88 1d6k n ARG 93 N 0.29 0.65 0.00 4.82 5.12 0.27 -2.24 116.66 125.57 1d6k n ARG 93 Ca -0.03 -0.69 0.16 0.00 -1.93 0.00 0.00 57.85 55.35 1d6k n ARG 93 Cb 0.52 -3.64 0.87 0.00 -1.16 0.00 0.00 32.46 29.04 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70