#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 -1.52 -3.54 3.17 0.04 -1.97 -3.49 116.94 109.63 1d6k h PHE 2 Ca 0.00 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1d6k h PHE 2 Cb 0.00 0.66 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1d6k h PHE 2 CO 0.00 -0.57 -0.73 2.41 -0.60 0.00 0.00 178.31 178.82 1d6k n THR 3 N -5.37-10.79 -3.73 -1.55 -1.04 -1.26 -4.97 114.28 85.57 1d6k n THR 3 Ca -0.08 2.62 -0.32 0.00 -2.04 0.00 0.00 64.05 64.24 1d6k n THR 3 Cb 0.39 -4.69 -0.09 0.00 -1.82 0.00 0.00 70.33 64.12 1d6k n THR 3 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1d6k n ILE 4 N 1.43 2.40 -1.68 12.58 2.08 0.01 -4.95 119.36 131.23 1d6k n ILE 4 Ca 0.00 -5.03 -0.42 0.00 0.56 0.00 0.00 62.75 57.85 1d6k n ILE 4 Cb 0.00 -2.27 -0.03 0.00 -0.75 0.00 0.00 39.64 36.59 1d6k n ILE 4 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1d6k n ASN 5 N 2.00 4.08 -0.84 4.38 5.03 -1.26 -3.13 115.26 125.53 1d6k n ASN 5 Ca 0.22 0.97 0.00 0.00 0.87 0.00 0.00 54.58 56.63 1d6k n ASN 5 Cb 0.36 -1.54 0.00 0.00 -1.02 0.00 0.00 39.78 37.58 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 6.11 0.00 -3.27 5.41 0.00 -0.43 -4.19 120.51 124.14 1d6k n ALA 6 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.59 1d6k n ALA 6 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 1d6k n ALA 6 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1d6k s GLU 7 N -0.86 0.44 -0.23 0.00 2.02 -0.43 -0.76 118.70 118.87 1d6k s GLU 7 Ca 0.00 0.69 -0.32 0.00 0.02 0.00 0.00 54.97 55.36 1d6k s GLU 7 Cb 0.00 -0.06 -0.09 0.00 0.10 0.00 0.00 34.13 34.08 1d6k s GLU 7 CO 0.00 -0.67 2.12 1.33 0.02 0.00 0.00 175.26 178.06 1d6k n VAL 8 N 5.39 0.35 -4.79 2.63 0.24 -1.26 -0.02 118.33 120.87 1d6k n VAL 8 Ca -0.02 -0.29 -0.24 0.00 -2.04 0.00 0.00 64.34 61.74 1d6k n VAL 8 Cb 0.51 -2.04 -0.15 0.00 -1.47 0.00 0.00 33.84 30.68 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 5.71 1.42 0.00 7.34 1.70 -0.41 -4.91 118.95 129.80 1d6k s ARG 9 Ca 1.02 -0.59 0.00 0.00 -0.47 0.00 0.00 55.73 55.69 1d6k s ARG 9 Cb -0.63 -1.34 0.00 0.00 -0.57 0.00 0.00 34.95 32.41 1d6k s ARG 9 CO 0.45 0.34 0.51 1.63 -1.08 0.00 0.00 175.30 177.14 1d6k n LYS 10 N 2.76 0.21 0.00 3.89 4.76 -1.26 -4.29 118.16 124.23 1d6k n LYS 10 Ca -0.15 -0.62 0.00 0.00 -2.87 0.00 0.00 58.31 54.67 1d6k n LYS 10 Cb 0.54 -0.84 0.00 0.00 -1.84 0.00 0.00 35.03 32.89 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 -0.11 0.79 -0.03 1.97 -0.58 -1.26 -4.73 120.64 116.68 1d6k n GLU 11 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1d6k n GLU 11 Cb 0.16 -1.26 -0.01 0.00 -0.57 0.00 0.00 31.44 29.76 1d6k n GLU 11 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1d6k h GLN 12 N 0.14 -0.01 0.00 3.49 1.08 -1.95 -0.94 115.11 116.91 1d6k h GLN 12 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1d6k h GLN 12 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1d6k h GLN 12 CO 0.00 -0.01 0.00 0.41 -0.95 0.00 0.00 178.83 178.28 1d6k n GLY 13 N -1.03 0.00 0.00 3.46 0.00 -1.26 -3.32 105.19 103.04 1d6k n GLY 13 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 1.02 -0.28 1.61 3.00 -1.26 -4.95 118.16 117.30 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 -0.08 0.16 0.00 0.00 0.00 0.00 35.03 35.11 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 1.23 0.86 3.14 0.00 -1.65 -2.03 103.07 104.62 1d6k h GLY 15 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1d6k h GLY 15 CO 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 176.54 176.63 1d6k h ALA 16 N 1.45 -0.03 0.00 3.60 0.00 -1.16 -2.89 119.26 120.23 1d6k h ALA 16 Ca 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1d6k h ALA 16 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1d6k h ALA 16 CO -0.26 -0.45 0.00 0.77 0.00 0.00 0.00 179.25 179.31 1d6k h SER 17 N -0.18 0.00 0.00 0.00 0.02 -1.48 -1.43 113.55 110.48 1d6k h SER 17 Ca -0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 1d6k h SER 17 Cb 0.16 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.65 1d6k h SER 17 CO 0.01 0.00 -2.31 -2.11 -1.14 0.00 0.00 176.83 171.28 1d6k n ARG 18 N -2.53 0.73 -0.01 3.45 -4.01 -0.99 -3.19 116.66 110.12 1d6k n ARG 18 Ca -0.01 -0.04 -0.11 0.00 -1.04 0.00 0.00 57.85 56.65 1d6k n ARG 18 Cb 0.10 -1.51 0.02 0.00 -3.04 0.00 0.00 32.46 28.03 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 0.63 0.57 2.89 0.11 -1.13 -1.79 114.38 115.66 1d6k h ARG 19 Ca -0.46 -0.42 -0.03 0.00 0.10 0.00 0.00 59.98 59.18 1d6k h ARG 19 Cb 2.04 0.06 0.01 0.00 1.11 0.00 0.00 29.97 33.19 1d6k h ARG 19 CO 0.03 1.03 -0.27 -0.07 0.10 0.00 0.00 179.97 180.78 1d6k h LEU 20 N 0.47 -0.65 -2.11 0.08 3.38 -1.48 -2.65 115.31 112.35 1d6k h LEU 20 Ca 0.00 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1d6k h LEU 20 Cb 1.15 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1d6k h LEU 20 CO 0.11 -0.28 0.07 0.08 0.09 0.00 0.00 178.44 178.52 1d6k h ARG 21 N -1.08 0.00 0.00 1.13 0.11 -1.51 -0.48 114.38 112.56 1d6k h ARG 21 Ca -0.08 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.97 1d6k h ARG 21 Cb 0.65 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.72 1d6k h ARG 21 CO 0.13 0.00 -0.15 0.00 0.10 0.00 0.00 179.97 180.05 1d6k h ALA 22 N 1.94 1.06 -0.17 0.08 0.00 -1.15 -2.96 119.26 118.05 1d6k h ALA 22 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1d6k h ALA 22 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1d6k h ALA 22 CO -0.00 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1d6k n ALA 23 N -2.20 2.49 -1.09 0.00 0.00 -0.50 -4.97 120.51 114.24 1d6k n ALA 23 Ca -0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 53.44 51.45 1d6k n ALA 23 Cb 0.36 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.55 -5.19 -4.57 0.00 3.02 -0.77 -4.99 115.26 102.20 1d6k n ASN 24 Ca 0.15 0.07 -0.27 0.00 -0.03 0.00 0.00 54.58 54.50 1d6k n ASN 24 Cb 0.63 -2.95 0.12 0.00 -0.61 0.00 0.00 39.78 36.97 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 -1.85 1.49 -0.01 3.52 1.02 -0.31 -2.84 119.74 120.76 1d6k s LYS 25 Ca 0.00 -0.55 -0.29 0.00 0.02 0.00 0.00 55.97 55.15 1d6k s LYS 25 Cb 0.00 -2.10 0.07 0.00 -0.52 0.00 0.00 37.83 35.29 1d6k s LYS 25 CO 0.00 -1.72 0.68 -0.59 -0.92 0.00 0.00 175.35 172.80 1d6k s PHE 26 N -3.45 -0.62 0.71 3.18 -0.71 -0.52 -3.20 117.98 113.37 1d6k s PHE 26 Ca 0.67 0.94 -0.11 0.00 -1.04 0.00 0.00 56.93 57.39 1d6k s PHE 26 Cb -0.07 0.44 0.02 0.00 -1.21 0.00 0.00 43.02 42.21 1d6k s PHE 26 CO 0.48 -0.64 1.07 -1.25 -1.34 0.00 0.00 175.22 173.53 1d6k s PRO 27 N -1.71 2.72 0.32 1.99 0.04 -1.26 -3.23 135.00 133.88 1d6k s PRO 27 Ca -0.08 1.07 -0.00 0.00 0.04 0.00 0.00 61.00 62.03 1d6k s PRO 27 Cb -0.00 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1d6k s PRO 27 CO 0.05 -1.28 0.40 0.00 0.04 0.00 0.00 177.00 176.21 1d6k s ALA 28 N -2.91 1.03 0.09 8.56 0.00 -0.97 -3.82 121.76 123.73 1d6k s ALA 28 Ca 0.60 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1d6k s ALA 28 Cb -0.16 1.25 -0.04 0.00 0.00 0.00 0.00 23.12 24.18 1d6k s ALA 28 CO 0.53 -0.74 -0.08 -1.50 0.00 0.00 0.00 175.76 173.97 1d6k s ILE 29 N -3.30 0.75 -0.63 0.00 1.10 -0.96 -2.60 121.20 115.56 1d6k s ILE 29 Ca 0.33 -1.64 0.05 0.00 -0.51 0.00 0.00 60.65 58.88 1d6k s ILE 29 Cb 0.01 -1.33 0.17 0.00 0.15 0.00 0.00 42.46 41.46 1d6k s ILE 29 CO 0.21 -0.65 0.46 -0.63 -2.11 0.00 0.00 174.94 172.21 1d6k s ILE 30 N -2.71 2.22 0.50 2.00 1.01 -0.06 -1.22 121.20 122.94 1d6k s ILE 30 Ca 0.05 -3.86 -0.03 0.00 0.00 0.00 0.00 60.65 56.81 1d6k s ILE 30 Cb -0.01 -2.47 0.10 0.00 0.01 0.00 0.00 42.46 40.10 1d6k s ILE 30 CO -0.02 -1.07 0.68 0.00 0.00 0.00 0.00 174.94 174.53 1d6k n TYR 31 N 2.19 -3.37 0.00 3.97 0.18 -0.63 -1.19 117.16 118.32 1d6k n TYR 31 Ca 0.22 -0.99 0.00 0.00 1.88 0.00 0.00 57.90 59.02 1d6k n TYR 31 Cb 0.38 -0.51 0.00 0.00 -0.38 0.00 0.00 39.34 38.84 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 0.06 0.00 3.97 -7.48 0.00 -1.26 -0.65 105.19 99.83 1d6k n GLY 32 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.61 1.95 -0.02 0.00 -1.26 -4.77 105.19 100.48 1d6k n GLY 33 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.85 0.00 -0.12 1.61 0.00 -1.26 -4.96 118.16 109.58 1d6k n LYS 34 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 58.31 58.24 1d6k n LYS 34 Cb 0.41 -0.01 0.02 0.00 0.00 0.00 0.00 35.03 35.45 1d6k n LYS 34 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1d6k n GLU 35 N -2.47 1.05 -1.15 1.64 0.28 -1.26 -5.12 120.64 113.60 1d6k n GLU 35 Ca 0.00 -1.25 0.04 0.00 -0.16 0.00 0.00 57.16 55.79 1d6k n GLU 35 Cb 0.00 -0.81 -0.02 0.00 1.43 0.00 0.00 31.44 32.04 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 -0.39 -1.95 -0.24 -1.84 0.00 -1.26 -5.03 120.51 109.80 1d6k n ALA 36 Ca 0.03 0.46 -0.17 0.00 0.00 0.00 0.00 53.44 53.76 1d6k n ALA 36 Cb 0.50 -1.22 0.29 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.74 -4.87 -3.34 0.00 -0.02 -1.26 -4.87 135.00 117.90 1d6k n PRO 37 Ca -0.02 -1.44 -0.10 0.00 -2.02 0.00 0.00 63.50 59.92 1d6k n PRO 37 Cb 0.41 -1.88 -0.07 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.65 0.28 2.45 2.96 -0.34 -4.95 118.68 118.43 1d6k s LEU 38 Ca 0.66 -0.22 -0.29 0.00 -0.22 0.00 0.00 54.13 54.05 1d6k s LEU 38 Cb -0.12 1.02 -0.10 0.00 0.50 0.00 0.00 46.19 47.49 1d6k s LEU 38 CO 0.55 -0.34 1.26 0.00 -1.32 0.00 0.00 176.35 176.51 1d6k s ALA 39 N 2.52 3.49 -0.03 5.97 0.00 -1.26 -0.89 121.76 131.55 1d6k s ALA 39 Ca 0.11 1.14 -0.04 0.00 0.00 0.00 0.00 51.96 53.17 1d6k s ALA 39 Cb -0.14 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.54 1d6k s ALA 39 CO -0.25 -0.50 0.10 0.96 0.00 0.00 0.00 175.76 176.06 1d6k s ILE 40 N -0.76 0.01 -0.36 0.00 -5.25 -1.07 -1.28 121.20 112.48 1d6k s ILE 40 Ca 0.50 -0.08 -0.11 0.00 -0.99 0.00 0.00 60.65 59.97 1d6k s ILE 40 Cb -0.37 -0.17 0.02 0.00 2.95 0.00 0.00 42.46 44.89 1d6k s ILE 40 CO 0.46 -0.04 0.20 -0.70 -1.79 0.00 0.00 174.94 173.07 1d6k s GLU 41 N -0.10 2.93 0.26 0.37 2.12 0.97 -2.29 118.70 122.96 1d6k s GLU 41 Ca -0.02 -1.01 0.04 0.00 0.36 0.00 0.00 54.97 54.35 1d6k s GLU 41 Cb -0.02 -3.72 -0.06 0.00 0.26 0.00 0.00 34.13 30.60 1d6k s GLU 41 CO 0.00 -0.65 -0.01 -0.48 -0.54 0.00 0.00 175.26 173.58 1d6k s LEU 42 N 1.57 2.26 0.15 2.70 2.34 -1.20 -1.32 118.68 125.20 1d6k s LEU 42 Ca 0.03 -1.24 -0.30 0.00 0.06 0.00 0.00 54.13 52.67 1d6k s LEU 42 Cb -0.19 -0.39 -0.08 0.00 -0.56 0.00 0.00 46.19 44.98 1d6k s LEU 42 CO 0.07 -0.48 1.29 -0.62 -1.06 0.00 0.00 176.35 175.55 1d6k s ASP 43 N -3.37 6.94 -0.03 1.48 2.15 -1.26 -1.44 116.67 121.13 1d6k s ASP 43 Ca 0.30 2.30 -0.26 0.00 0.43 0.00 0.00 52.55 55.32 1d6k s ASP 43 Cb 0.06 -2.60 -0.20 0.00 -0.30 0.00 0.00 42.92 39.88 1d6k s ASP 43 CO 0.11 -0.52 1.19 -0.74 -0.17 0.00 0.00 175.17 175.03 1d6k h HIS 44 N 5.93 -0.04 0.00 -5.34 -0.00 -1.80 -2.44 115.15 111.46 1d6k h HIS 44 Ca -0.44 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 59.87 1d6k h HIS 44 Cb 1.21 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.63 1d6k h HIS 44 CO 0.64 0.47 -0.30 0.22 -0.00 0.00 0.00 177.93 178.96 1d6k h ASP 45 N -0.58 0.00 0.00 3.26 3.58 -1.93 0.12 116.42 120.87 1d6k h ASP 45 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1d6k h ASP 45 Cb 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1d6k h ASP 45 CO 0.01 0.30 0.00 1.17 -2.88 0.00 0.00 179.24 177.84 1d6k n LYS 46 N -3.95 0.00 0.08 0.28 4.81 -1.24 -3.27 118.16 114.86 1d6k n LYS 46 Ca -0.02 0.09 0.20 0.00 -0.87 0.00 0.00 58.31 57.71 1d6k n LYS 46 Cb 0.37 -1.09 0.75 0.00 0.02 0.00 0.00 35.03 35.08 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 0.49 -0.05 3.15 3.04 -1.08 0.70 116.25 122.51 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 0.71 -0.04 0.00 -2.01 0.00 0.00 31.29 29.95 1d6k h VAL 47 CO 0.00 0.00 -0.37 -0.03 -1.01 0.00 0.00 177.57 176.16 1d6k h MET 48 N 0.00 -0.41 -0.06 4.17 1.85 -0.89 0.87 114.93 120.46 1d6k h MET 48 Ca 0.19 0.03 0.02 0.00 -0.61 0.00 0.00 59.70 59.33 1d6k h MET 48 Cb 0.95 0.09 -0.00 0.00 0.43 0.00 0.00 31.60 33.07 1d6k h MET 48 CO -0.00 -0.27 0.18 -0.97 -0.40 0.00 0.00 176.91 175.45 1d6k h ASN 49 N -0.43 0.00 0.00 1.39 -1.24 -0.84 -2.46 115.58 112.01 1d6k h ASN 49 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1d6k h ASN 49 Cb 0.48 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.53 1d6k h ASN 49 CO -0.27 0.00 -0.11 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 0.00 -0.90 -3.32 114.93 117.37 1d6k h MET 50 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.73 1d6k h MET 50 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.99 1d6k h MET 50 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.91 176.91 1d6k n GLN 51 N -3.19 0.01 0.00 1.72 -0.00 0.14 -1.26 117.38 114.80 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 0.06 -1.50 0.63 0.00 -0.00 0.00 0.00 30.24 29.43 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 2.28 -2.41 2.61 0.00 -0.92 -4.65 120.51 115.99 1d6k n ALA 52 Ca 0.01 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 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 -2.10 1.30 0.47 0.00 0.00 -0.39 -5.05 119.74 113.97 1d6k s LYS 53 Ca 0.31 -1.50 0.26 0.00 0.00 0.00 0.00 55.97 55.05 1d6k s LYS 53 Cb 0.15 -1.24 0.87 0.00 0.00 0.00 0.00 37.83 37.61 1d6k s LYS 53 CO 0.27 0.23 1.80 0.00 0.00 0.00 0.00 175.35 177.65 1d6k h ALA 54 N 2.92 0.98 -0.01 0.59 0.00 -1.86 -2.41 119.26 119.46 1d6k h ALA 54 Ca -0.40 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1d6k h ALA 54 Cb 1.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1d6k h ALA 54 CO 0.56 0.14 0.14 0.93 0.00 0.00 0.00 179.25 181.03 1d6k h GLU 55 N 0.00 0.00 0.36 0.00 5.08 -1.95 -2.05 114.58 116.02 1d6k h GLU 55 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1d6k h GLU 55 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1d6k h GLU 55 CO 0.02 0.00 -0.17 0.35 -1.00 0.00 0.00 179.01 178.20 1d6k h PHE 56 N 0.00 -0.45 0.00 4.33 3.57 -1.64 0.08 116.94 122.83 1d6k h PHE 56 Ca 0.00 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.34 1d6k h PHE 56 Cb 0.28 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1d6k h PHE 56 CO 0.00 -0.12 -0.72 0.10 -2.23 0.00 0.00 178.31 175.35 1d6k h TYR 57 N -0.90 0.00 0.00 0.41 -0.00 -1.68 -3.24 116.97 111.56 1d6k h TYR 57 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.68 1d6k h TYR 57 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.27 1d6k h TYR 57 CO 0.03 0.72 -0.00 1.03 -0.00 0.00 0.00 178.16 179.93 1d6k h SER 58 N 0.00 -0.00 -3.46 0.10 0.87 -1.49 -3.37 113.55 106.19 1d6k h SER 58 Ca -0.01 -0.81 -0.71 0.00 -1.23 0.00 0.00 61.79 59.04 1d6k h SER 58 Cb 1.42 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 63.08 1d6k h SER 58 CO 0.09 0.81 -0.49 -1.61 -0.53 0.00 0.00 176.83 175.11 1d6k s GLU 59 N -2.89 2.44 -0.24 2.24 2.02 0.02 -5.01 118.70 117.27 1d6k s GLU 59 Ca -0.18 -1.57 -0.43 0.00 0.02 0.00 0.00 54.97 52.81 1d6k s GLU 59 Cb -0.01 -3.71 -0.20 0.00 0.10 0.00 0.00 34.13 30.31 1d6k s GLU 59 CO 0.67 -0.99 1.35 1.55 0.02 0.00 0.00 175.26 177.86 1d6k n VAL 60 N 4.82 0.01 -3.21 2.63 3.14 -1.26 -4.59 118.33 119.87 1d6k n VAL 60 Ca -0.08 -0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 60.98 1d6k n VAL 60 Cb 0.42 -0.30 -0.05 0.00 -1.06 0.00 0.00 33.84 32.85 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 1.55 4.05 -0.46 6.55 1.43 0.61 -4.84 118.68 127.58 1d6k s LEU 61 Ca 0.98 1.02 -0.06 0.00 -1.03 0.00 0.00 54.13 55.04 1d6k s LEU 61 Cb -1.36 -3.83 0.12 0.00 0.03 0.00 0.00 46.19 41.15 1d6k s LEU 61 CO 0.69 -0.20 0.30 -0.89 0.23 0.00 0.00 176.35 176.48 1d6k s THR 62 N -2.02 3.80 -0.50 5.49 2.01 -1.26 -2.08 115.64 121.09 1d6k s THR 62 Ca 0.49 -1.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.23 1d6k s THR 62 Cb -0.11 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.89 1d6k s THR 62 CO 0.24 -0.75 1.21 -0.63 -0.69 0.00 0.00 174.62 173.99 1d6k s ILE 63 N 1.17 4.09 -1.12 1.82 -1.09 0.69 -0.81 121.20 125.95 1d6k s ILE 63 Ca 0.08 1.08 -0.14 0.00 -2.23 0.00 0.00 60.65 59.43 1d6k s ILE 63 Cb -0.24 -4.57 0.17 0.00 -1.58 0.00 0.00 42.46 36.24 1d6k s ILE 63 CO -0.03 -1.07 1.31 -0.69 -1.23 0.00 0.00 174.94 173.24 1d6k s VAL 64 N 4.81 5.08 -0.75 2.92 1.01 -1.18 -0.38 120.40 131.90 1d6k s VAL 64 Ca 0.49 -2.47 -0.26 0.00 0.00 0.00 0.00 61.98 59.74 1d6k s VAL 64 Cb -0.08 -4.84 0.01 0.00 0.00 0.00 0.00 36.38 31.47 1d6k s VAL 64 CO 0.30 -1.53 1.55 0.68 0.00 0.00 0.00 175.10 176.10 1d6k s VAL 65 N 1.50 3.61 -1.78 2.92 -7.23 0.83 -1.32 120.40 118.94 1d6k s VAL 65 Ca 0.38 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.67 1d6k s VAL 65 Cb -0.04 -4.55 0.00 0.00 0.56 0.00 0.00 36.38 32.35 1d6k s VAL 65 CO -0.03 -1.49 0.00 -0.67 -0.31 0.00 0.00 175.10 172.60 1d6k n ASP 66 N 10.79 -4.96 0.00 4.85 2.03 0.06 -1.32 116.55 128.00 1d6k n ASP 66 Ca 0.16 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1d6k n ASP 66 Cb 0.50 -4.32 0.00 0.00 -0.72 0.00 0.00 41.12 36.58 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 -0.57 0.89 3.71 0.27 0.00 -1.23 -5.10 105.19 103.16 1d6k n GLY 67 Ca -0.19 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 -0.45 4.20 -0.41 1.61 1.02 -0.44 -4.99 119.74 120.28 1d6k s LYS 68 Ca 0.00 -0.06 -0.16 0.00 0.02 0.00 0.00 55.97 55.77 1d6k s LYS 68 Cb 0.00 -3.45 0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1d6k s LYS 68 CO 0.00 0.21 0.39 -1.21 -0.92 0.00 0.00 175.35 173.82 1d6k s GLU 69 N 0.58 3.14 -0.13 1.68 2.02 -1.26 -0.12 118.70 124.61 1d6k s GLU 69 Ca 0.12 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.35 1d6k s GLU 69 Cb -0.12 -3.95 -0.01 0.00 0.10 0.00 0.00 34.13 30.15 1d6k s GLU 69 CO 0.02 -0.78 -0.16 0.42 0.02 0.00 0.00 175.26 174.79 1d6k s ILE 70 N 2.01 2.78 -0.15 -1.63 1.09 0.49 -4.90 121.20 120.89 1d6k s ILE 70 Ca 0.10 -0.75 -0.21 0.00 -1.10 0.00 0.00 60.65 58.69 1d6k s ILE 70 Cb -0.17 -2.15 -0.03 0.00 -1.06 0.00 0.00 42.46 39.04 1d6k s ILE 70 CO 0.12 0.53 0.63 -0.54 -0.10 0.00 0.00 174.94 175.58 1d6k s LYS 71 N 0.45 4.29 0.13 2.79 -0.14 -1.26 -0.22 119.74 125.78 1d6k s LYS 71 Ca -0.11 0.67 -0.15 0.00 -1.36 0.00 0.00 55.97 55.02 1d6k s LYS 71 Cb -0.16 -3.52 0.03 0.00 -1.68 0.00 0.00 37.83 32.49 1d6k s LYS 71 CO 0.05 -0.11 0.38 0.14 -0.76 0.00 0.00 175.35 175.05 1d6k s VAL 72 N 1.46 0.07 -0.03 3.17 -7.23 -0.88 -1.27 120.40 115.69 1d6k s VAL 72 Ca 0.31 -0.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.74 1d6k s VAL 72 Cb -0.16 -1.31 0.01 0.00 0.56 0.00 0.00 36.38 35.48 1d6k s VAL 72 CO 0.12 -0.33 -0.07 -0.54 -0.31 0.00 0.00 175.10 173.97 1d6k s LYS 73 N -3.84 0.88 0.38 4.82 1.02 -0.75 -0.28 119.74 121.97 1d6k s LYS 73 Ca 0.05 -0.23 -0.28 0.00 0.02 0.00 0.00 55.97 55.53 1d6k s LYS 73 Cb 0.02 -0.84 -0.11 0.00 -0.52 0.00 0.00 37.83 36.38 1d6k s LYS 73 CO -0.10 0.05 1.50 0.00 -0.92 0.00 0.00 175.35 175.88 1d6k s ALA 74 N 0.41 3.58 -0.02 5.17 0.00 -1.26 -0.33 121.76 129.30 1d6k s ALA 74 Ca -0.06 1.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.49 1d6k s ALA 74 Cb -0.10 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.39 1d6k s ALA 74 CO 0.00 -1.08 -0.02 1.04 0.00 0.00 0.00 175.76 175.70 1d6k n GLN 75 N 0.49 0.06 -3.43 0.00 1.13 -1.16 -4.80 117.38 109.66 1d6k n GLN 75 Ca 0.01 0.02 -0.17 0.00 -1.94 0.00 0.00 57.00 54.92 1d6k n GLN 75 Cb 0.39 -0.90 -0.11 0.00 0.11 0.00 0.00 30.24 29.73 1d6k n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1d6k s ASP 76 N -4.55 1.38 0.13 1.08 2.15 -1.26 -5.06 116.67 110.54 1d6k s ASP 76 Ca -0.03 -0.40 -0.16 0.00 0.43 0.00 0.00 52.55 52.39 1d6k s ASP 76 Cb 0.01 0.52 -0.07 0.00 -0.30 0.00 0.00 42.92 43.08 1d6k s ASP 76 CO 0.05 -0.35 0.56 0.68 -0.17 0.00 0.00 175.17 175.94 1d6k s VAL 77 N 2.37 4.83 -0.26 1.11 -7.23 -1.26 -1.93 120.40 118.02 1d6k s VAL 77 Ca 0.09 0.93 -0.02 0.00 -1.81 0.00 0.00 61.98 61.16 1d6k s VAL 77 Cb -0.15 -3.77 0.03 0.00 0.56 0.00 0.00 36.38 33.05 1d6k s VAL 77 CO -0.22 0.31 -0.03 -1.10 -0.31 0.00 0.00 175.10 173.76 1d6k s GLN 78 N -1.76 2.82 0.68 4.82 -0.21 0.31 -4.99 119.66 121.32 1d6k s GLN 78 Ca 0.36 -0.99 -0.11 0.00 0.02 0.00 0.00 55.36 54.63 1d6k s GLN 78 Cb -0.16 -3.07 -0.00 0.00 1.00 0.00 0.00 33.01 30.78 1d6k s GLN 78 CO 0.19 -0.43 1.07 1.03 -2.12 0.00 0.00 175.29 175.02 1d6k s ARG 79 N 1.34 3.12 0.83 2.91 1.81 -1.26 -0.51 118.95 127.19 1d6k s ARG 79 Ca -0.00 0.65 -0.11 0.00 -1.72 0.00 0.00 55.73 54.55 1d6k s ARG 79 Cb -0.17 -2.03 0.09 0.00 -0.45 0.00 0.00 34.95 32.38 1d6k s ARG 79 CO -0.03 -0.89 1.10 -1.01 -0.68 0.00 0.00 175.30 173.79 1d6k s HIS 80 N -3.24 2.30 -1.28 -0.53 3.76 0.11 -4.34 115.29 112.07 1d6k s HIS 80 Ca 0.57 1.58 0.28 0.00 -0.15 0.00 0.00 55.06 57.34 1d6k s HIS 80 Cb -0.12 -3.13 1.07 0.00 1.11 0.00 0.00 32.58 31.51 1d6k s HIS 80 CO 0.53 -2.14 1.78 -0.35 -0.85 0.00 0.00 174.74 173.72 1d6k n PRO 81 N -3.76 0.30 0.12 8.40 -0.04 -1.26 -4.62 135.00 134.14 1d6k n PRO 81 Ca 0.09 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 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 -1.27 -2.38 -1.98 0.54 4.19 -1.26 -5.11 117.16 109.88 1d6k n TYR 82 Ca 0.10 0.51 -0.31 0.00 3.31 0.00 0.00 57.90 61.51 1d6k n TYR 82 Cb 0.31 1.05 0.00 0.00 0.49 0.00 0.00 39.34 41.19 1d6k n TYR 82 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 1d6k s LYS 83 N -2.00 3.56 0.00 2.98 -2.85 -1.26 -4.97 119.74 115.19 1d6k s LYS 83 Ca 0.00 0.88 0.00 0.00 -1.00 0.00 0.00 55.97 55.85 1d6k s LYS 83 Cb 0.00 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 1d6k s LYS 83 CO 0.00 -0.60 0.61 -0.35 0.10 0.00 0.00 175.35 175.11 1d6k n PRO 84 N -2.43 0.88 0.00 1.78 -0.04 -1.26 -4.14 135.00 129.79 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 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.15 -0.77 -4.40 0.54 4.76 -1.26 -4.76 118.16 112.11 1d6k n LYS 85 Ca 0.00 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 1d6k n LYS 85 Cb 0.14 0.00 -0.11 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 2.45 -0.18 -0.35 1.43 -1.26 -0.71 118.68 120.06 1d6k s LEU 86 Ca 0.00 -0.89 0.05 0.00 -1.03 0.00 0.00 54.13 52.26 1d6k s LEU 86 Cb 0.00 -1.05 -0.14 0.00 0.03 0.00 0.00 46.19 45.02 1d6k s LEU 86 CO 0.00 0.06 -0.11 0.00 0.23 0.00 0.00 176.35 176.53 1d6k n GLN 87 N 0.16 0.77 -3.63 1.70 1.13 0.34 -4.56 117.38 113.28 1d6k n GLN 87 Ca -0.12 0.08 -0.03 0.00 -1.94 0.00 0.00 57.00 55.00 1d6k n GLN 87 Cb 0.57 -1.39 -0.02 0.00 0.11 0.00 0.00 30.24 29.50 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 -2.38 -0.04 -0.01 1.08 5.04 -1.23 -4.70 115.29 113.04 1d6k s HIS 88 Ca -0.21 0.04 -0.07 0.00 -1.54 0.00 0.00 55.06 53.28 1d6k s HIS 88 Cb 0.06 0.50 0.00 0.00 0.04 0.00 0.00 32.58 33.19 1d6k s HIS 88 CO 0.50 -0.06 0.13 0.42 -2.34 0.00 0.00 174.74 173.39 1d6k s ILE 89 N -1.88 0.07 0.17 0.89 1.01 -1.25 -0.53 121.20 119.68 1d6k s ILE 89 Ca 0.11 -0.58 0.10 0.00 0.00 0.00 0.00 60.65 60.28 1d6k s ILE 89 Cb -0.01 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 1d6k s ILE 89 CO -0.04 -0.32 -0.22 1.51 0.00 0.00 0.00 174.94 175.88 1d6k s ASP 90 N -1.13 3.07 0.06 3.58 1.47 -0.81 -2.27 116.67 120.63 1d6k s ASP 90 Ca -0.12 -0.85 0.06 0.00 1.18 0.00 0.00 52.55 52.82 1d6k s ASP 90 Cb -0.07 -0.21 -0.03 0.00 -0.34 0.00 0.00 42.92 42.28 1d6k s ASP 90 CO 0.01 0.06 -0.16 -0.36 0.68 0.00 0.00 175.17 175.40 1d6k s PHE 91 N -1.77 1.37 0.01 2.11 0.08 -0.35 -2.97 117.98 116.46 1d6k s PHE 91 Ca 0.18 -0.41 -0.07 0.00 0.12 0.00 0.00 56.93 56.75 1d6k s PHE 91 Cb -0.07 -0.78 -0.05 0.00 -0.57 0.00 0.00 43.02 41.55 1d6k s PHE 91 CO 0.08 0.08 0.28 0.14 -0.10 0.00 0.00 175.22 175.70 1d6k s VAL 92 N -1.06 5.28 -0.59 -0.44 -7.23 0.54 -1.60 120.40 115.31 1d6k s VAL 92 Ca 0.02 0.18 -0.27 0.00 -1.81 0.00 0.00 61.98 60.10 1d6k s VAL 92 Cb -0.09 -3.57 -0.10 0.00 0.56 0.00 0.00 36.38 33.18 1d6k s VAL 92 CO 0.02 0.35 2.47 0.54 -0.31 0.00 0.00 175.10 178.17 1d6k n ARG 93 N 1.09 0.85 0.00 4.82 5.12 0.17 -1.81 116.66 126.89 1d6k n ARG 93 Ca -0.11 -0.03 0.15 0.00 -1.93 0.00 0.00 57.85 55.93 1d6k n ARG 93 Cb 0.53 -3.12 0.68 0.00 -1.16 0.00 0.00 32.46 29.38 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70