#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 -0.19 -5.07 1.12 0.04 -1.97 -3.50 116.94 107.37 1d6k h PHE 2 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1d6k h PHE 2 Cb 0.00 0.06 -0.07 0.00 2.20 0.00 0.00 35.95 38.15 1d6k h PHE 2 CO 0.00 -0.12 -1.02 2.41 -0.60 0.00 0.00 178.31 178.98 1d6k n THR 3 N -2.61 -9.68 -3.47 -1.55 -1.04 -1.26 -4.94 114.28 89.72 1d6k n THR 3 Ca -0.03 2.12 -0.42 0.00 -2.04 0.00 0.00 64.05 63.69 1d6k n THR 3 Cb 0.08 -5.24 -0.04 0.00 -1.82 0.00 0.00 70.33 63.32 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 -0.46 5.06 0.01 12.58 -1.09 -0.14 -4.88 121.20 132.28 1d6k s ILE 4 Ca -0.14 -3.07 -0.30 0.00 -2.23 0.00 0.00 60.65 54.91 1d6k s ILE 4 Cb 0.01 -4.13 -0.08 0.00 -1.58 0.00 0.00 42.46 36.68 1d6k s ILE 4 CO 0.39 -1.04 1.95 0.20 -1.23 0.00 0.00 174.94 175.20 1d6k s ASN 5 N 1.20 6.42 0.00 3.58 0.02 -1.26 -3.18 114.94 121.71 1d6k s ASN 5 Ca 0.22 2.58 0.00 0.00 -1.02 0.00 0.00 52.86 54.64 1d6k s ASN 5 Cb -0.12 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.62 1d6k s ASN 5 CO -0.08 -1.09 0.00 0.00 0.02 0.00 0.00 177.10 175.95 1d6k n ALA 6 N 7.73 0.00 -3.49 0.60 0.00 -0.51 -4.36 120.51 120.48 1d6k n ALA 6 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.50 1d6k n ALA 6 Cb 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 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 0.34 0.70 0.40 0.00 -1.05 -0.33 -1.56 118.70 117.20 1d6k s GLU 7 Ca 0.00 0.77 -0.26 0.00 -0.15 0.00 0.00 54.97 55.33 1d6k s GLU 7 Cb 0.00 0.34 -0.09 0.00 -0.44 0.00 0.00 34.13 33.94 1d6k s GLU 7 CO 0.00 -0.09 1.34 0.14 0.95 0.00 0.00 175.26 177.60 1d6k s VAL 8 N 0.22 2.48 0.02 1.83 -7.23 -1.26 -0.22 120.40 116.23 1d6k s VAL 8 Ca -0.01 0.44 -0.08 0.00 -1.81 0.00 0.00 61.98 60.52 1d6k s VAL 8 Cb -0.04 -3.26 0.00 0.00 0.56 0.00 0.00 36.38 33.64 1d6k s VAL 8 CO 0.01 0.07 0.15 0.00 -0.31 0.00 0.00 175.10 175.02 1d6k s ARG 9 N -2.22 0.56 0.00 4.82 1.04 -0.45 -4.78 118.95 117.91 1d6k s ARG 9 Ca 0.56 -0.51 0.00 0.00 -1.04 0.00 0.00 55.73 54.74 1d6k s ARG 9 Cb -0.40 0.23 0.00 0.00 -2.04 0.00 0.00 34.95 32.74 1d6k s ARG 9 CO 0.52 -0.14 0.11 1.63 -0.04 0.00 0.00 175.30 177.38 1d6k n LYS 10 N 1.14 0.54 0.00 3.89 4.76 -1.26 -4.28 118.16 122.95 1d6k n LYS 10 Ca -0.21 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 1d6k n LYS 10 Cb 0.57 -0.50 0.00 0.00 -1.84 0.00 0.00 35.03 33.26 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 -0.11 0.65 -0.30 1.97 0.00 -1.26 -4.54 120.64 117.05 1d6k n GLU 11 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 57.16 57.45 1d6k n GLU 11 Cb 0.11 -1.12 0.64 0.00 0.00 0.00 0.00 31.44 31.08 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 0.13 0.16 0.00 3.44 -0.00 -1.95 0.60 115.11 117.49 1d6k h GLN 12 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1d6k h GLN 12 Cb 0.12 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.56 1d6k h GLN 12 CO 0.00 0.11 0.13 0.41 -0.00 0.00 0.00 178.83 179.48 1d6k n GLY 13 N -1.64 -0.14 0.00 0.06 0.00 -1.26 -4.56 105.19 97.66 1d6k n GLY 13 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.03 0.00 -0.36 1.61 4.76 -1.17 -5.01 118.16 116.96 1d6k n LYS 14 Ca 0.00 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.50 1d6k n LYS 14 Cb 0.13 0.00 0.22 0.00 -1.84 0.00 0.00 35.03 33.54 1d6k n LYS 14 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1d6k h GLY 15 N 0.00 1.61 0.70 0.72 0.00 -1.72 -1.22 103.07 103.16 1d6k h GLY 15 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1d6k h GLY 15 CO 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 176.54 176.70 1d6k h ALA 16 N 1.52 0.15 0.00 3.60 0.00 -1.15 -2.90 119.26 120.47 1d6k h ALA 16 Ca 0.48 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1d6k h ALA 16 Cb 0.40 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1d6k h ALA 16 CO -0.24 -0.07 -0.01 0.77 0.00 0.00 0.00 179.25 179.70 1d6k h SER 17 N -0.14 0.00 0.49 0.00 0.02 -1.48 -0.27 113.55 112.17 1d6k h SER 17 Ca 0.02 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 1d6k h SER 17 Cb 0.52 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1d6k h SER 17 CO 0.02 0.01 -1.61 -2.11 -1.14 0.00 0.00 176.83 172.00 1d6k n ARG 18 N -3.74 0.64 0.07 3.45 -4.01 -0.72 -3.17 116.66 109.17 1d6k n ARG 18 Ca -0.03 0.06 -0.23 0.00 -1.04 0.00 0.00 57.85 56.62 1d6k n ARG 18 Cb 0.09 -1.70 -0.15 0.00 -3.04 0.00 0.00 32.46 27.66 1d6k n ARG 18 CO 0.00 0.00 0.00 0.07 -3.04 0.00 0.00 177.63 174.66 1d6k h ARG 19 N 0.00 0.38 0.56 2.89 0.11 -1.10 -2.70 114.38 114.53 1d6k h ARG 19 Ca -0.14 -0.65 -0.03 0.00 0.10 0.00 0.00 59.98 59.26 1d6k h ARG 19 Cb 1.41 0.24 0.01 0.00 1.11 0.00 0.00 29.97 32.74 1d6k h ARG 19 CO 0.02 1.31 -0.27 -0.07 0.10 0.00 0.00 179.97 181.07 1d6k h LEU 20 N -0.03 -0.64 -2.22 0.08 4.07 -1.27 -2.13 115.31 113.17 1d6k h LEU 20 Ca -0.30 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.64 1d6k h LEU 20 Cb 1.99 0.16 -0.00 0.00 1.08 0.00 0.00 40.66 43.90 1d6k h LEU 20 CO 0.17 -0.38 -0.01 0.08 -1.08 0.00 0.00 178.44 177.22 1d6k h ARG 21 N -0.86 0.00 0.00 1.13 -0.00 -1.58 -0.74 114.38 112.33 1d6k h ARG 21 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.90 1d6k h ARG 21 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.59 1d6k h ARG 21 CO 0.13 0.01 0.00 0.00 -0.00 0.00 0.00 179.97 180.10 1d6k h ALA 22 N 1.99 1.00 0.00 0.08 0.00 -1.05 -3.14 119.26 118.15 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 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1d6k h ALA 22 CO 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 179.25 179.14 1d6k n ALA 23 N -1.83 1.97 -1.24 0.00 0.00 -0.61 -4.99 120.51 113.81 1d6k n ALA 23 Ca 0.02 -1.59 -0.08 0.00 0.00 0.00 0.00 53.44 51.79 1d6k n ALA 23 Cb 0.24 -0.27 -0.04 0.00 0.00 0.00 0.00 19.45 19.39 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 -5.32 -4.41 0.00 3.02 -0.66 -4.99 115.26 102.20 1d6k n ASN 24 Ca 0.06 0.20 -0.28 0.00 -0.03 0.00 0.00 54.58 54.54 1d6k n ASN 24 Cb 0.54 -3.54 0.15 0.00 -0.61 0.00 0.00 39.78 36.32 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 -2.52 1.16 -0.28 3.52 -0.14 -0.38 -2.93 119.74 118.16 1d6k s LYS 25 Ca 0.00 -0.53 -0.16 0.00 -1.36 0.00 0.00 55.97 53.92 1d6k s LYS 25 Cb 0.00 -2.01 0.11 0.00 -1.68 0.00 0.00 37.83 34.25 1d6k s LYS 25 CO 0.00 -1.99 0.82 0.12 -0.76 0.00 0.00 175.35 173.54 1d6k s PHE 26 N -3.61 -0.84 0.69 3.18 2.19 0.43 -3.50 117.98 116.52 1d6k s PHE 26 Ca 0.70 1.67 -0.13 0.00 0.33 0.00 0.00 56.93 59.50 1d6k s PHE 26 Cb -0.05 0.50 0.01 0.00 -1.31 0.00 0.00 43.02 42.17 1d6k s PHE 26 CO 0.50 -0.41 1.10 -1.25 1.83 0.00 0.00 175.22 176.98 1d6k s PRO 27 N 1.51 2.69 0.31 10.12 0.04 -1.26 -2.53 135.00 145.88 1d6k s PRO 27 Ca -0.10 1.27 0.03 0.00 0.04 0.00 0.00 61.00 62.24 1d6k s PRO 27 Cb -0.04 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1d6k s PRO 27 CO -0.18 -1.32 0.35 0.00 0.04 0.00 0.00 177.00 175.90 1d6k n ALA 28 N -2.78 0.16 -2.11 8.56 0.00 -0.59 -4.07 120.51 119.68 1d6k n ALA 28 Ca 0.10 -1.62 -0.08 0.00 0.00 0.00 0.00 53.44 51.84 1d6k n ALA 28 Cb 0.52 1.31 -0.10 0.00 0.00 0.00 0.00 19.45 21.18 1d6k n ALA 28 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1d6k s ILE 29 N -3.00 0.22 -0.39 0.00 1.10 -1.12 -2.45 121.20 115.56 1d6k s ILE 29 Ca 0.31 -1.84 0.01 0.00 -0.51 0.00 0.00 60.65 58.62 1d6k s ILE 29 Cb 0.00 -1.65 0.13 0.00 0.15 0.00 0.00 42.46 41.09 1d6k s ILE 29 CO 0.22 -0.87 0.20 -0.63 -2.11 0.00 0.00 174.94 171.75 1d6k s ILE 30 N -3.93 1.08 0.40 2.00 1.01 -0.18 -1.19 121.20 120.39 1d6k s ILE 30 Ca 0.11 -2.13 0.02 0.00 0.00 0.00 0.00 60.65 58.65 1d6k s ILE 30 Cb 0.08 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.79 1d6k s ILE 30 CO -0.07 -0.85 0.13 0.00 0.00 0.00 0.00 174.94 174.15 1d6k n TYR 31 N 3.96 0.20 -2.72 3.97 0.18 -0.08 -1.15 117.16 121.51 1d6k n TYR 31 Ca 0.06 -1.86 -0.07 0.00 1.88 0.00 0.00 57.90 57.92 1d6k n TYR 31 Cb 0.37 -0.29 0.03 0.00 -0.38 0.00 0.00 39.34 39.06 1d6k n TYR 31 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1d6k n GLY 32 N 0.19 0.39 0.00 -7.48 0.00 -1.26 -1.42 105.19 95.61 1d6k n GLY 32 Ca -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.00 1.60 0.00 -0.02 0.00 -1.26 -4.34 105.19 100.17 1d6k n GLY 33 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1d6k n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d6k n LYS 34 N 0.00 0.00 0.00 1.61 4.76 -1.26 -4.99 118.16 118.28 1d6k n LYS 34 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1d6k n LYS 34 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1d6k n LYS 34 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1d6k n GLU 35 N 0.00 0.00 -3.59 1.97 1.02 -1.26 -5.09 120.64 113.69 1d6k n GLU 35 Ca 0.00 0.23 -0.09 0.00 -0.02 0.00 0.00 57.16 57.28 1d6k n GLU 35 Cb 0.00 -0.70 -0.02 0.00 -0.02 0.00 0.00 31.44 30.70 1d6k n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1d6k s ALA 36 N -3.21 -1.52 1.00 0.62 0.00 -1.26 -5.17 121.76 112.22 1d6k s ALA 36 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1d6k s ALA 36 Cb 0.00 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1d6k s ALA 36 CO 0.00 -0.87 0.00 -2.30 0.00 0.00 0.00 175.76 172.59 1d6k n PRO 37 N -0.39 -1.12 -3.29 0.00 -0.02 -1.26 -4.71 135.00 124.20 1d6k n PRO 37 Ca -0.11 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.32 1d6k n PRO 37 Cb 0.62 0.00 -0.06 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 -0.89 0.24 2.45 2.96 -0.30 -4.96 118.68 118.18 1d6k s LEU 38 Ca 0.00 0.26 -0.30 0.00 -0.22 0.00 0.00 54.13 53.87 1d6k s LEU 38 Cb 0.00 1.41 -0.09 0.00 0.50 0.00 0.00 46.19 48.01 1d6k s LEU 38 CO 0.00 -0.30 1.09 0.00 -1.32 0.00 0.00 176.35 175.82 1d6k s ALA 39 N 2.63 3.39 -0.02 5.97 0.00 -1.26 -1.01 121.76 131.46 1d6k s ALA 39 Ca 0.14 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1d6k s ALA 39 Cb -0.14 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1d6k s ALA 39 CO -0.20 -0.15 -0.00 0.96 0.00 0.00 0.00 175.76 176.37 1d6k s ILE 40 N -0.82 0.14 -0.20 0.00 -0.00 -1.02 -1.34 121.20 117.95 1d6k s ILE 40 Ca 0.46 0.05 -0.26 0.00 -0.00 0.00 0.00 60.65 60.90 1d6k s ILE 40 Cb -0.31 -0.21 -0.01 0.00 -0.00 0.00 0.00 42.46 41.94 1d6k s ILE 40 CO 0.38 0.11 0.87 -0.70 -0.00 0.00 0.00 174.94 175.60 1d6k s GLU 41 N 0.71 4.25 0.23 0.37 2.12 0.70 -1.55 118.70 125.53 1d6k s GLU 41 Ca -0.07 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.33 1d6k s GLU 41 Cb -0.10 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 1d6k s GLU 41 CO -0.01 -0.45 0.12 -0.48 -0.54 0.00 0.00 175.26 173.90 1d6k s LEU 42 N 2.57 1.39 0.06 2.70 2.34 -1.05 -1.19 118.68 125.51 1d6k s LEU 42 Ca 0.38 -1.40 -0.31 0.00 0.06 0.00 0.00 54.13 52.87 1d6k s LEU 42 Cb -0.16 0.22 -0.06 0.00 -0.56 0.00 0.00 46.19 45.64 1d6k s LEU 42 CO 0.10 -0.80 1.18 -0.62 -1.06 0.00 0.00 176.35 175.14 1d6k s ASP 43 N -3.24 7.11 0.02 1.48 -1.08 -1.26 -0.43 116.67 119.27 1d6k s ASP 43 Ca 0.38 1.99 -0.25 0.00 -0.52 0.00 0.00 52.55 54.16 1d6k s ASP 43 Cb 0.07 -2.58 -0.18 0.00 -1.46 0.00 0.00 42.92 38.77 1d6k s ASP 43 CO 0.13 -0.44 1.43 -0.74 0.52 0.00 0.00 175.17 176.07 1d6k h HIS 44 N 6.71 -0.07 0.00 -5.34 -0.00 -1.80 -2.17 115.15 112.47 1d6k h HIS 44 Ca -0.42 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 59.88 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 0.67 0.22 -0.33 0.22 -0.00 0.00 0.00 177.93 178.71 1d6k h ASP 45 N -0.38 0.00 0.00 3.26 3.58 -1.94 0.11 116.42 121.05 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 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1d6k h ASP 45 CO 0.01 0.33 0.00 1.17 -2.88 0.00 0.00 179.24 177.88 1d6k n LYS 46 N -3.94 0.00 0.06 0.28 4.81 -1.23 -3.25 118.16 114.89 1d6k n LYS 46 Ca -0.02 0.12 0.20 0.00 -0.87 0.00 0.00 58.31 57.75 1d6k n LYS 46 Cb 0.40 -1.11 0.74 0.00 0.02 0.00 0.00 35.03 35.07 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 0.55 -0.14 3.15 3.04 -1.05 0.19 116.25 121.99 1d6k h VAL 47 Ca 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.71 1d6k h VAL 47 Cb 0.00 0.72 -0.04 0.00 -2.01 0.00 0.00 31.29 29.96 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 -0.23 -0.15 4.17 1.85 -0.92 -0.01 114.93 119.64 1d6k h MET 48 Ca 0.21 0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.36 1d6k h MET 48 Cb 0.96 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.04 1d6k h MET 48 CO -0.00 -0.15 0.28 -0.97 -0.40 0.00 0.00 176.91 175.67 1d6k h ASN 49 N -0.24 0.00 0.00 1.39 -1.24 -0.60 -2.43 115.58 112.47 1d6k h ASN 49 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1d6k h ASN 49 Cb 0.31 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1d6k h ASN 49 CO -0.26 0.00 -0.12 0.24 -1.29 0.00 0.00 177.43 176.00 1d6k h MET 50 N 0.00 0.00 0.00 6.67 2.86 -0.97 -3.31 114.93 120.18 1d6k h MET 50 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1d6k h MET 50 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 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 -3.34 0.02 0.00 1.72 -0.00 -0.15 -1.86 117.38 113.76 1d6k n GLN 51 Ca -0.02 0.36 0.11 0.00 -0.00 0.00 0.00 57.00 57.45 1d6k n GLN 51 Cb 0.06 -1.50 0.62 0.00 -0.00 0.00 0.00 30.24 29.42 1d6k n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1d6k n ALA 52 N -1.39 2.25 -2.43 2.61 0.00 -0.91 -4.65 120.51 116.00 1d6k n ALA 52 Ca 0.01 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 1d6k n ALA 52 Cb 0.02 -1.36 -0.11 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 -2.24 1.45 0.37 0.00 0.00 -0.78 -5.05 119.74 113.49 1d6k s LYS 53 Ca 0.28 -1.59 0.19 0.00 0.00 0.00 0.00 55.97 54.86 1d6k s LYS 53 Cb 0.15 -1.48 0.58 0.00 0.00 0.00 0.00 37.83 37.08 1d6k s LYS 53 CO 0.29 0.28 1.68 0.00 0.00 0.00 0.00 175.35 177.61 1d6k h ALA 54 N 2.74 0.92 -0.40 0.59 0.00 -1.87 -2.78 119.26 118.46 1d6k h ALA 54 Ca -0.41 -0.34 0.12 0.00 0.00 0.00 0.00 54.91 54.28 1d6k h ALA 54 Cb 1.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1d6k h ALA 54 CO 0.56 0.46 0.44 0.93 0.00 0.00 0.00 179.25 181.65 1d6k h GLU 55 N 0.00 0.00 -0.08 0.00 5.08 -1.94 0.30 114.58 117.94 1d6k h GLU 55 Ca -0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1d6k h GLU 55 Cb 0.99 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.25 1d6k h GLU 55 CO 0.05 0.00 -0.91 0.35 -1.00 0.00 0.00 179.01 177.50 1d6k h PHE 56 N 0.00 1.06 0.00 4.33 3.04 -1.71 -1.01 116.94 122.65 1d6k h PHE 56 Ca 0.19 -0.52 -0.25 0.00 3.98 0.00 0.00 57.97 61.37 1d6k h PHE 56 Cb 1.07 -0.14 -0.04 0.00 2.56 0.00 0.00 35.95 39.40 1d6k h PHE 56 CO 0.00 1.36 -1.68 2.48 -2.02 0.00 0.00 178.31 178.44 1d6k n TYR 57 N -3.89 0.88 0.13 0.41 0.18 -0.92 -3.72 117.16 110.23 1d6k n TYR 57 Ca -0.09 0.31 0.05 0.00 1.88 0.00 0.00 57.90 60.05 1d6k n TYR 57 Cb 0.81 -1.12 0.04 0.00 -0.38 0.00 0.00 39.34 38.69 1d6k n TYR 57 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1d6k h SER 58 N 0.00 0.00 -3.50 9.48 0.87 -1.05 -3.39 113.55 115.97 1d6k h SER 58 Ca -0.27 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 59.88 1d6k h SER 58 Cb 1.88 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.70 1d6k h SER 58 CO 0.06 0.34 -0.70 -1.61 -0.53 0.00 0.00 176.83 174.39 1d6k s GLU 59 N -3.06 1.31 0.51 2.24 2.02 -0.38 -5.02 118.70 116.32 1d6k s GLU 59 Ca 0.03 -1.61 -0.19 0.00 0.02 0.00 0.00 54.97 53.21 1d6k s GLU 59 Cb 0.07 -0.88 -0.07 0.00 0.10 0.00 0.00 34.13 33.35 1d6k s GLU 59 CO 0.75 0.06 1.05 0.54 0.02 0.00 0.00 175.26 177.68 1d6k s VAL 60 N -3.18 3.70 0.25 2.63 0.11 -1.26 -4.52 120.40 118.13 1d6k s VAL 60 Ca 0.24 1.01 0.11 0.00 -2.93 0.00 0.00 61.98 60.41 1d6k s VAL 60 Cb 0.03 -3.41 -0.05 0.00 -1.53 0.00 0.00 36.38 31.42 1d6k s VAL 60 CO 0.07 -0.27 -0.14 -0.76 -3.33 0.00 0.00 175.10 170.67 1d6k s LEU 61 N -3.69 2.78 -0.43 2.54 1.43 0.59 -4.85 118.68 117.05 1d6k s LEU 61 Ca 0.68 -0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1d6k s LEU 61 Cb -0.17 -1.35 0.11 0.00 0.03 0.00 0.00 46.19 44.81 1d6k s LEU 61 CO 0.24 0.05 0.22 -0.89 0.23 0.00 0.00 176.35 176.20 1d6k s THR 62 N -2.20 3.26 -0.42 5.49 2.01 -1.26 -1.86 115.64 120.66 1d6k s THR 62 Ca 0.28 -2.17 -0.29 0.00 0.31 0.00 0.00 61.69 59.82 1d6k s THR 62 Cb -0.06 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.22 1d6k s THR 62 CO 0.15 -0.71 1.38 -0.63 -0.69 0.00 0.00 174.62 174.13 1d6k s ILE 63 N 1.00 3.94 -1.05 1.82 -1.09 0.11 -0.96 121.20 124.96 1d6k s ILE 63 Ca 0.09 0.95 -0.15 0.00 -2.23 0.00 0.00 60.65 59.32 1d6k s ILE 63 Cb -0.22 -4.25 0.18 0.00 -1.58 0.00 0.00 42.46 36.58 1d6k s ILE 63 CO -0.04 -0.79 1.19 -0.69 -1.23 0.00 0.00 174.94 173.38 1d6k s VAL 64 N 5.33 5.17 -0.77 2.92 1.01 -1.19 -0.41 120.40 132.45 1d6k s VAL 64 Ca 0.60 -2.40 -0.26 0.00 0.00 0.00 0.00 61.98 59.92 1d6k s VAL 64 Cb -0.13 -4.76 0.01 0.00 0.00 0.00 0.00 36.38 31.50 1d6k s VAL 64 CO 0.33 -1.44 1.53 0.68 0.00 0.00 0.00 175.10 176.20 1d6k s VAL 65 N 1.30 3.63 -1.44 2.92 -7.23 0.66 -1.43 120.40 118.80 1d6k s VAL 65 Ca 0.34 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.59 1d6k s VAL 65 Cb -0.06 -4.60 0.00 0.00 0.56 0.00 0.00 36.38 32.28 1d6k s VAL 65 CO -0.06 -1.54 0.00 -0.67 -0.31 0.00 0.00 175.10 172.53 1d6k n ASP 66 N 10.62 -4.97 0.00 4.85 2.03 -0.60 -1.55 116.55 126.92 1d6k n ASP 66 Ca 0.16 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1d6k n ASP 66 Cb 0.50 -4.17 0.00 0.00 -0.72 0.00 0.00 41.12 36.73 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 -0.91 0.49 3.65 0.27 0.00 -1.25 -5.08 105.19 102.35 1d6k n GLY 67 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.83 4.03 -0.39 1.61 1.02 -0.60 -5.02 119.74 119.55 1d6k s LYS 68 Ca 0.00 -0.30 -0.12 0.00 0.02 0.00 0.00 55.97 55.56 1d6k s LYS 68 Cb 0.00 -3.39 0.03 0.00 -0.52 0.00 0.00 37.83 33.95 1d6k s LYS 68 CO 0.00 0.16 0.25 -1.21 -0.92 0.00 0.00 175.35 173.63 1d6k s GLU 69 N 0.74 2.86 -0.16 1.68 2.02 -1.26 -0.25 118.70 124.33 1d6k s GLU 69 Ca 0.06 -1.09 -0.01 0.00 0.02 0.00 0.00 54.97 53.95 1d6k s GLU 69 Cb -0.13 -3.84 -0.01 0.00 0.10 0.00 0.00 34.13 30.26 1d6k s GLU 69 CO 0.02 -0.75 -0.12 0.42 0.02 0.00 0.00 175.26 174.85 1d6k s ILE 70 N 1.59 2.92 -0.17 -1.63 1.09 0.45 -4.90 121.20 120.56 1d6k s ILE 70 Ca 0.03 -0.68 -0.22 0.00 -1.10 0.00 0.00 60.65 58.67 1d6k s ILE 70 Cb -0.19 -2.25 -0.02 0.00 -1.06 0.00 0.00 42.46 38.93 1d6k s ILE 70 CO 0.08 0.50 0.69 -0.54 -0.10 0.00 0.00 174.94 175.57 1d6k s LYS 71 N 0.79 4.28 0.11 2.79 -0.14 -1.26 0.04 119.74 126.35 1d6k s LYS 71 Ca -0.05 0.76 -0.15 0.00 -1.36 0.00 0.00 55.97 55.18 1d6k s LYS 71 Cb -0.15 -3.55 0.03 0.00 -1.68 0.00 0.00 37.83 32.48 1d6k s LYS 71 CO 0.01 -0.20 0.36 0.14 -0.76 0.00 0.00 175.35 174.90 1d6k s VAL 72 N 1.75 0.08 -0.04 3.17 -7.23 -0.78 -1.35 120.40 116.01 1d6k s VAL 72 Ca 0.33 -0.68 0.03 0.00 -1.81 0.00 0.00 61.98 59.85 1d6k s VAL 72 Cb -0.16 -1.18 0.00 0.00 0.56 0.00 0.00 36.38 35.60 1d6k s VAL 72 CO 0.12 -0.38 -0.13 -0.54 -0.31 0.00 0.00 175.10 173.86 1d6k s LYS 73 N -3.71 1.44 0.36 4.82 3.01 -0.63 -0.30 119.74 124.73 1d6k s LYS 73 Ca 0.03 -0.47 -0.28 0.00 -1.01 0.00 0.00 55.97 54.24 1d6k s LYS 73 Cb 0.02 -1.27 -0.10 0.00 -1.01 0.00 0.00 37.83 35.47 1d6k s LYS 73 CO -0.11 0.17 1.31 0.00 0.51 0.00 0.00 175.35 177.22 1d6k s ALA 74 N 0.16 3.41 0.00 5.17 0.00 -1.24 -0.56 121.76 128.69 1d6k s ALA 74 Ca -0.05 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1d6k s ALA 74 Cb -0.11 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1d6k s ALA 74 CO 0.02 -0.71 0.00 0.94 0.00 0.00 0.00 175.76 176.01 1d6k n GLN 75 N 0.54 2.30 -3.28 0.00 -0.06 -1.18 -4.66 117.38 111.04 1d6k n GLN 75 Ca 0.01 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.94 1d6k n GLN 75 Cb 0.42 -0.61 -0.05 0.00 -4.06 0.00 0.00 30.24 25.95 1d6k n GLN 75 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1d6k s ASP 76 N -1.07 -0.02 0.04 1.69 2.15 -1.26 -5.06 116.67 113.14 1d6k s ASP 76 Ca 0.00 -0.52 -0.17 0.00 0.43 0.00 0.00 52.55 52.29 1d6k s ASP 76 Cb 0.00 1.27 -0.06 0.00 -0.30 0.00 0.00 42.92 43.82 1d6k s ASP 76 CO 0.00 -0.31 0.49 0.68 -0.17 0.00 0.00 175.17 175.86 1d6k s VAL 77 N 2.35 4.88 -0.22 1.11 -7.23 -1.26 -1.81 120.40 118.22 1d6k s VAL 77 Ca 0.11 1.03 -0.01 0.00 -1.81 0.00 0.00 61.98 61.30 1d6k s VAL 77 Cb -0.11 -3.81 0.02 0.00 0.56 0.00 0.00 36.38 33.03 1d6k s VAL 77 CO -0.23 0.57 -0.10 -1.10 -0.31 0.00 0.00 175.10 173.92 1d6k s GLN 78 N -1.09 3.02 0.69 4.82 -0.21 0.49 -5.00 119.66 122.39 1d6k s GLN 78 Ca 0.26 -0.84 -0.11 0.00 0.02 0.00 0.00 55.36 54.69 1d6k s GLN 78 Cb -0.18 -2.86 0.00 0.00 1.00 0.00 0.00 33.01 30.98 1d6k s GLN 78 CO 0.16 -0.29 1.07 1.03 -2.12 0.00 0.00 175.29 175.15 1d6k s ARG 79 N 1.35 3.00 0.81 2.91 1.81 -1.26 -0.59 118.95 126.98 1d6k s ARG 79 Ca 0.03 0.62 -0.11 0.00 -1.72 0.00 0.00 55.73 54.54 1d6k s ARG 79 Cb -0.15 -2.02 0.08 0.00 -0.45 0.00 0.00 34.95 32.41 1d6k s ARG 79 CO -0.07 -0.97 1.13 -1.01 -0.68 0.00 0.00 175.30 173.71 1d6k s HIS 80 N -3.25 2.15 -0.36 -0.53 3.76 -0.16 -4.08 115.29 112.82 1d6k s HIS 80 Ca 0.57 1.65 0.24 0.00 -0.15 0.00 0.00 55.06 57.38 1d6k s HIS 80 Cb -0.12 -3.23 0.46 0.00 1.11 0.00 0.00 32.58 30.80 1d6k s HIS 80 CO 0.53 -2.28 1.65 -1.00 -0.85 0.00 0.00 174.74 172.79 1d6k h PRO 81 N -1.17 0.00 0.00 8.40 0.13 -1.97 -3.41 132.00 133.98 1d6k h PRO 81 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.48 0.02 0.00 0.98 -0.23 0.00 0.00 178.00 179.25 1d6k n TYR 82 N -3.11 0.00 -2.22 1.56 9.36 -1.26 -5.12 117.16 116.37 1d6k n TYR 82 Ca 0.03 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.93 1d6k n TYR 82 Cb 0.51 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.21 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 -1.00 3.57 -1.34 2.98 1.02 -1.26 -4.94 119.74 118.76 1d6k s LYS 83 Ca 0.00 1.15 -0.09 0.00 0.02 0.00 0.00 55.97 57.05 1d6k s LYS 83 Cb 0.00 -2.07 -0.11 0.00 -0.52 0.00 0.00 37.83 35.12 1d6k s LYS 83 CO 0.00 -0.60 3.07 -0.35 -0.92 0.00 0.00 175.35 176.54 1d6k n PRO 84 N -1.74 3.44 -1.62 -1.68 -0.04 -1.26 -4.23 135.00 127.86 1d6k n PRO 84 Ca 0.08 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 1d6k n PRO 84 Cb 0.53 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 3.33 0.73 -4.31 0.54 4.76 -1.26 -5.01 118.16 116.94 1d6k n LYS 85 Ca 0.72 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.93 1d6k n LYS 85 Cb 0.35 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.42 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 2.35 -0.21 -0.35 1.43 -1.26 -0.99 118.68 119.65 1d6k s LEU 86 Ca 0.00 -0.76 0.09 0.00 -1.03 0.00 0.00 54.13 52.44 1d6k s LEU 86 Cb 0.00 -0.88 -0.21 0.00 0.03 0.00 0.00 46.19 45.13 1d6k s LEU 86 CO 0.00 0.03 -0.01 0.00 0.23 0.00 0.00 176.35 176.59 1d6k n GLN 87 N 0.77 0.67 -3.65 1.70 1.13 0.24 -4.52 117.38 113.74 1d6k n GLN 87 Ca -0.17 0.09 -0.02 0.00 -1.94 0.00 0.00 57.00 54.96 1d6k n GLN 87 Cb 0.55 -1.55 -0.02 0.00 0.11 0.00 0.00 30.24 29.33 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 -0.01 -0.00 1.08 5.04 -1.21 -4.92 115.29 112.76 1d6k s HIS 88 Ca -0.21 0.01 -0.03 0.00 -1.54 0.00 0.00 55.06 53.29 1d6k s HIS 88 Cb 0.07 0.50 -0.00 0.00 0.04 0.00 0.00 32.58 33.19 1d6k s HIS 88 CO 0.73 -0.01 0.05 0.42 -2.34 0.00 0.00 174.74 173.58 1d6k s ILE 89 N -1.84 0.06 0.34 0.89 1.01 -1.26 -0.38 121.20 120.02 1d6k s ILE 89 Ca 0.11 -0.50 0.09 0.00 0.00 0.00 0.00 60.65 60.35 1d6k s ILE 89 Cb -0.01 -0.24 -0.06 0.00 0.01 0.00 0.00 42.46 42.15 1d6k s ILE 89 CO -0.03 -0.27 -0.08 1.51 0.00 0.00 0.00 174.94 176.07 1d6k s ASP 90 N -0.85 3.54 0.10 3.58 1.47 -0.75 -2.81 116.67 120.94 1d6k s ASP 90 Ca -0.09 -1.22 0.03 0.00 1.18 0.00 0.00 52.55 52.44 1d6k s ASP 90 Cb -0.06 -0.32 -0.04 0.00 -0.34 0.00 0.00 42.92 42.17 1d6k s ASP 90 CO 0.00 -0.26 -0.08 -0.36 0.68 0.00 0.00 175.17 175.15 1d6k s PHE 91 N -2.71 0.95 0.06 2.11 0.08 -0.34 -3.12 117.98 115.01 1d6k s PHE 91 Ca 0.32 -0.79 0.09 0.00 0.12 0.00 0.00 56.93 56.67 1d6k s PHE 91 Cb 0.04 -0.53 -0.03 0.00 -0.57 0.00 0.00 43.02 41.92 1d6k s PHE 91 CO 0.16 -0.08 -0.22 0.14 -0.10 0.00 0.00 175.22 175.11 1d6k s VAL 92 N -3.05 2.47 -0.80 -0.44 -7.23 0.27 -0.90 120.40 110.72 1d6k s VAL 92 Ca 0.08 -1.37 -0.22 0.00 -1.81 0.00 0.00 61.98 58.66 1d6k s VAL 92 Cb 0.01 -2.03 -0.18 0.00 0.56 0.00 0.00 36.38 34.74 1d6k s VAL 92 CO -0.02 0.30 2.38 0.54 -0.31 0.00 0.00 175.10 177.98 1d6k n ARG 93 N 1.49 0.47 0.00 4.82 5.12 -0.51 -1.60 116.66 126.45 1d6k n ARG 93 Ca -0.17 -0.46 0.12 0.00 -1.93 0.00 0.00 57.85 55.41 1d6k n ARG 93 Cb 0.52 -2.88 0.70 0.00 -1.16 0.00 0.00 32.46 29.64 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70