#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 -0.22 -4.95 1.12 0.04 -1.97 -3.50 116.94 107.46 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 0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.16 1d6k h PHE 2 CO 0.00 -0.13 -1.14 2.41 -0.60 0.00 0.00 178.31 178.84 1d6k n THR 3 N -2.66-11.24 -3.56 -1.55 -1.04 -1.26 -4.93 114.28 88.04 1d6k n THR 3 Ca -0.03 2.51 -0.40 0.00 -2.04 0.00 0.00 64.05 64.10 1d6k n THR 3 Cb 0.09 -5.71 -0.06 0.00 -1.82 0.00 0.00 70.33 62.84 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 -0.54 4.66 -0.03 12.58 -1.09 -0.05 -4.86 121.20 131.87 1d6k s ILE 4 Ca -0.14 -3.24 -0.30 0.00 -2.23 0.00 0.00 60.65 54.74 1d6k s ILE 4 Cb 0.01 -3.91 -0.08 0.00 -1.58 0.00 0.00 42.46 36.90 1d6k s ILE 4 CO 0.39 -1.03 2.03 0.59 -1.23 0.00 0.00 174.94 175.69 1d6k n ASN 5 N 3.07 3.93 -0.26 3.58 4.13 -1.26 -3.20 115.26 125.25 1d6k n ASN 5 Ca 0.16 0.76 0.00 0.00 1.68 0.00 0.00 54.58 57.18 1d6k n ASN 5 Cb 0.40 -1.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.12 1d6k n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1d6k n ALA 6 N 8.36 0.00 -3.32 5.41 0.00 -0.56 -4.18 120.51 126.21 1d6k n ALA 6 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.53 1d6k n ALA 6 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 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 0.55 0.52 0.71 0.00 -1.05 -0.73 -1.83 118.70 116.88 1d6k s GLU 7 Ca 0.00 0.54 -0.16 0.00 -0.15 0.00 0.00 54.97 55.20 1d6k s GLU 7 Cb 0.00 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.93 1d6k s GLU 7 CO 0.00 -0.07 0.77 1.33 0.95 0.00 0.00 175.26 178.24 1d6k n VAL 8 N 2.71 2.37 -4.20 1.83 0.24 -1.26 -0.25 118.33 119.77 1d6k n VAL 8 Ca -0.14 -0.39 -0.18 0.00 -2.04 0.00 0.00 64.34 61.59 1d6k n VAL 8 Cb 0.57 -0.93 -0.12 0.00 -1.47 0.00 0.00 33.84 31.89 1d6k n VAL 8 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1d6k s ARG 9 N -3.03 0.90 0.00 7.34 0.52 0.45 -4.65 118.95 120.48 1d6k s ARG 9 Ca 0.70 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1d6k s ARG 9 Cb -0.35 -0.85 0.00 0.00 0.52 0.00 0.00 34.95 34.26 1d6k s ARG 9 CO 0.54 0.18 0.18 0.36 0.02 0.00 0.00 175.30 176.58 1d6k n LYS 10 N 0.96 0.00 -0.25 3.54 0.00 -1.26 -4.32 118.16 116.83 1d6k n LYS 10 Ca -0.19 -0.05 0.06 0.00 -0.00 0.00 0.00 58.31 58.14 1d6k n LYS 10 Cb 0.55 -0.04 0.18 0.00 -0.00 0.00 0.00 35.03 35.73 1d6k n LYS 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1d6k n GLU 11 N 0.00 2.88 0.28 -1.58 -0.58 -1.26 -4.84 120.64 115.54 1d6k n GLU 11 Ca 0.00 -2.27 0.13 0.00 -0.42 0.00 0.00 57.16 54.61 1d6k n GLU 11 Cb 0.50 -1.43 0.82 0.00 -0.57 0.00 0.00 31.44 30.77 1d6k n GLU 11 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1d6k h GLN 12 N 1.86 0.00 0.00 3.49 -0.00 -1.95 -0.44 115.11 118.06 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 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.41 1d6k h GLN 12 CO 0.07 0.04 0.02 0.41 -0.00 0.00 0.00 178.83 179.37 1d6k n GLY 13 N -1.18 -0.02 0.00 0.06 0.00 -1.26 -4.53 105.19 98.25 1d6k n GLY 13 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.80 0.00 -0.31 1.61 4.76 -1.24 -5.00 118.16 117.17 1d6k n LYS 14 Ca 0.00 0.00 0.17 0.00 -2.87 0.00 0.00 58.31 55.61 1d6k n LYS 14 Cb 0.02 0.00 0.42 0.00 -1.84 0.00 0.00 35.03 33.63 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 1.36 0.93 0.72 0.00 -1.78 -0.99 103.07 103.31 1d6k h GLY 15 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1d6k h GLY 15 CO 0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 176.54 176.25 1d6k h ALA 16 N 1.63 -0.67 -0.29 3.60 0.00 -1.33 -1.92 119.26 120.28 1d6k h ALA 16 Ca 0.54 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.37 1d6k h ALA 16 Cb 1.09 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1d6k h ALA 16 CO -0.29 -0.83 0.24 0.77 0.00 0.00 0.00 179.25 179.14 1d6k h SER 17 N -0.75 0.00 0.14 0.00 0.02 -1.45 -1.23 113.55 110.28 1d6k h SER 17 Ca -0.07 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.53 1d6k h SER 17 Cb 0.55 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 1d6k h SER 17 CO 0.11 0.00 -2.19 -2.11 -1.14 0.00 0.00 176.83 171.50 1d6k n ARG 18 N -4.16 0.67 -0.17 3.45 -4.01 -1.12 -3.22 116.66 108.10 1d6k n ARG 18 Ca 0.04 0.12 -0.10 0.00 -1.04 0.00 0.00 57.85 56.87 1d6k n ARG 18 Cb 0.40 -1.61 0.01 0.00 -3.04 0.00 0.00 32.46 28.21 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 0.01 0.87 0.92 2.89 0.11 -0.78 -1.13 114.38 117.27 1d6k h ARG 19 Ca -0.47 -0.26 -0.04 0.00 0.10 0.00 0.00 59.98 59.30 1d6k h ARG 19 Cb 2.12 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 33.13 1d6k h ARG 19 CO 0.03 0.89 -0.44 -0.07 0.10 0.00 0.00 179.97 180.48 1d6k h LEU 20 N 0.73 -1.04 -1.99 0.08 4.07 -1.41 -2.10 115.31 113.65 1d6k h LEU 20 Ca 0.14 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1d6k h LEU 20 Cb 0.48 0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1d6k h LEU 20 CO 0.02 -0.72 0.00 0.08 -1.08 0.00 0.00 178.44 176.74 1d6k h ARG 21 N -1.29 0.00 0.00 1.13 0.11 -1.50 -0.95 114.38 111.89 1d6k h ARG 21 Ca -0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.95 1d6k h ARG 21 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 1d6k h ARG 21 CO 0.21 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.28 1d6k h ALA 22 N 2.01 1.00 0.00 0.08 0.00 -0.78 -3.30 119.26 118.27 1d6k h ALA 22 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1d6k h ALA 22 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1d6k h ALA 22 CO 0.00 0.00 -1.55 0.00 0.00 0.00 0.00 179.25 177.70 1d6k n ALA 23 N -1.91 0.90 0.00 0.00 0.00 -0.47 -5.02 120.51 114.01 1d6k n ALA 23 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1d6k n ALA 23 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1d6k n ALA 23 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1d6k n ASN 24 N -4.40 0.00 -4.45 0.00 0.23 -0.64 -5.12 115.26 100.87 1d6k n ASN 24 Ca -0.32 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.43 1d6k n ASN 24 Cb 0.65 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.52 1d6k n ASN 24 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1d6k s LYS 25 N 0.00 0.52 0.02 -3.83 1.02 -0.53 -3.68 119.74 113.25 1d6k s LYS 25 Ca 0.00 0.08 -0.23 0.00 0.02 0.00 0.00 55.97 55.85 1d6k s LYS 25 Cb 0.00 -1.79 0.05 0.00 -0.52 0.00 0.00 37.83 35.58 1d6k s LYS 25 CO 0.00 -2.58 0.52 -0.59 -0.92 0.00 0.00 175.35 171.78 1d6k s PHE 26 N -3.33 -0.43 0.62 3.18 -0.71 -0.76 -2.89 117.98 113.67 1d6k s PHE 26 Ca 0.67 0.55 -0.15 0.00 -1.04 0.00 0.00 56.93 56.97 1d6k s PHE 26 Cb -0.12 0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 41.99 1d6k s PHE 26 CO 0.54 -0.60 1.07 -1.25 -1.34 0.00 0.00 175.22 173.63 1d6k s PRO 27 N -2.08 3.17 0.33 1.99 0.04 -1.26 -3.24 135.00 133.95 1d6k s PRO 27 Ca -0.07 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.20 1d6k s PRO 27 Cb -0.01 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1d6k s PRO 27 CO 0.01 -0.93 0.34 0.00 0.04 0.00 0.00 177.00 176.47 1d6k s ALA 28 N -2.51 1.40 0.08 8.56 0.00 -0.60 -3.48 121.76 125.22 1d6k s ALA 28 Ca 0.63 -1.84 0.03 0.00 0.00 0.00 0.00 51.96 50.78 1d6k s ALA 28 Cb -0.16 1.35 -0.04 0.00 0.00 0.00 0.00 23.12 24.27 1d6k s ALA 28 CO 0.40 -0.71 -0.08 -1.50 0.00 0.00 0.00 175.76 173.87 1d6k s ILE 29 N -3.35 0.77 -0.61 0.00 1.10 -0.73 -2.19 121.20 116.19 1d6k s ILE 29 Ca 0.37 -1.61 0.05 0.00 -0.51 0.00 0.00 60.65 58.95 1d6k s ILE 29 Cb 0.02 -1.29 0.17 0.00 0.15 0.00 0.00 42.46 41.50 1d6k s ILE 29 CO 0.24 -0.62 0.43 -0.63 -2.11 0.00 0.00 174.94 172.25 1d6k s ILE 30 N -2.57 2.19 0.29 2.00 1.01 -0.06 -1.10 121.20 122.96 1d6k s ILE 30 Ca 0.04 -3.75 0.00 0.00 0.00 0.00 0.00 60.65 56.95 1d6k s ILE 30 Cb -0.02 -2.46 0.06 0.00 0.01 0.00 0.00 42.46 40.05 1d6k s ILE 30 CO -0.01 -1.04 0.40 0.00 0.00 0.00 0.00 174.94 174.29 1d6k n TYR 31 N 2.33 -3.15 0.00 3.97 0.18 -0.21 -1.23 117.16 119.05 1d6k n TYR 31 Ca 0.21 -0.74 0.00 0.00 1.88 0.00 0.00 57.90 59.25 1d6k n TYR 31 Cb 0.38 -0.29 0.00 0.00 -0.38 0.00 0.00 39.34 39.05 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 1.87 2.73 2.65 -7.48 0.00 -1.26 -0.81 105.19 102.89 1d6k n GLY 32 Ca 0.07 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 3.31 0.24 -0.02 0.00 -1.26 -3.21 105.19 104.24 1d6k n GLY 33 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 4.71 0.00 0.00 1.61 5.02 -1.26 -4.92 118.16 123.32 1d6k n LYS 34 Ca 0.52 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1d6k n LYS 34 Cb 0.21 -0.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 1d6k n LYS 34 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1d6k n GLU 35 N -1.62 0.11 -1.29 1.97 1.02 -1.20 -5.14 120.64 114.50 1d6k n GLU 35 Ca 0.00 -0.22 0.04 0.00 -0.02 0.00 0.00 57.16 56.95 1d6k n GLU 35 Cb 0.00 -0.69 -0.02 0.00 -0.02 0.00 0.00 31.44 30.71 1d6k n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1d6k n ALA 36 N -0.08 -2.11 -0.41 0.62 0.00 -1.21 -5.02 120.51 112.30 1d6k n ALA 36 Ca 0.00 0.51 -0.31 0.00 0.00 0.00 0.00 53.44 53.64 1d6k n ALA 36 Cb 0.10 -1.32 0.29 0.00 0.00 0.00 0.00 19.45 18.52 1d6k n ALA 36 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1d6k s PRO 37 N -4.90 -2.99 -0.27 0.00 0.01 -1.26 -4.85 135.00 120.74 1d6k s PRO 37 Ca 0.00 0.07 -0.01 0.00 0.01 0.00 0.00 61.00 61.07 1d6k s PRO 37 Cb 0.00 -1.38 0.16 0.00 0.01 0.00 0.00 34.50 33.30 1d6k s PRO 37 CO 0.00 -4.90 0.48 -1.17 0.01 0.00 0.00 177.00 171.42 1d6k s LEU 38 N -7.84 -0.99 0.52 -5.54 0.20 -0.36 -4.95 118.68 99.72 1d6k s LEU 38 Ca 0.69 0.45 -0.22 0.00 0.69 0.00 0.00 54.13 55.74 1d6k s LEU 38 Cb -0.12 1.58 -0.05 0.00 -0.43 0.00 0.00 46.19 47.17 1d6k s LEU 38 CO 0.57 -0.29 1.28 0.00 -0.29 0.00 0.00 176.35 177.63 1d6k s ALA 39 N 2.68 2.84 0.01 5.97 0.00 -1.26 -0.88 121.76 131.12 1d6k s ALA 39 Ca 0.16 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1d6k s ALA 39 Cb -0.15 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1d6k s ALA 39 CO -0.19 -1.13 -0.03 0.96 0.00 0.00 0.00 175.76 175.37 1d6k s ILE 40 N -1.41 0.13 -0.43 0.00 -0.00 -0.93 -0.41 121.20 118.14 1d6k s ILE 40 Ca 0.70 -0.59 -0.12 0.00 -0.00 0.00 0.00 60.65 60.63 1d6k s ILE 40 Cb -0.36 -0.21 0.06 0.00 -0.00 0.00 0.00 42.46 41.95 1d6k s ILE 40 CO 0.42 -0.29 0.31 -0.70 -0.00 0.00 0.00 174.94 174.67 1d6k s GLU 41 N -0.92 2.81 0.30 0.37 2.12 0.65 -1.55 118.70 122.48 1d6k s GLU 41 Ca -0.09 -1.32 0.05 0.00 0.36 0.00 0.00 54.97 53.97 1d6k s GLU 41 Cb -0.06 -3.92 -0.06 0.00 0.26 0.00 0.00 34.13 30.34 1d6k s GLU 41 CO -0.01 -0.92 0.01 -0.48 -0.54 0.00 0.00 175.26 173.33 1d6k s LEU 42 N 1.55 2.31 -0.01 2.70 2.34 -1.20 -1.77 118.68 124.60 1d6k s LEU 42 Ca 0.03 -1.30 -0.30 0.00 0.06 0.00 0.00 54.13 52.63 1d6k s LEU 42 Cb -0.22 -0.47 -0.06 0.00 -0.56 0.00 0.00 46.19 44.88 1d6k s LEU 42 CO 0.05 -0.51 1.47 -0.62 -1.06 0.00 0.00 176.35 175.69 1d6k s ASP 43 N -3.46 6.79 0.00 1.48 -1.08 -1.26 -1.82 116.67 117.32 1d6k s ASP 43 Ca 0.33 2.15 -0.25 0.00 -0.52 0.00 0.00 52.55 54.26 1d6k s ASP 43 Cb 0.07 -2.55 -0.18 0.00 -1.46 0.00 0.00 42.92 38.80 1d6k s ASP 43 CO 0.13 -0.78 1.29 -0.74 0.52 0.00 0.00 175.17 175.59 1d6k h HIS 44 N 8.22 -0.17 0.00 -5.34 -0.00 -1.86 -2.00 115.15 114.00 1d6k h HIS 44 Ca -0.38 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 59.92 1d6k h HIS 44 Cb 1.18 0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.63 1d6k h HIS 44 CO 0.78 0.19 -0.31 0.22 -0.00 0.00 0.00 177.93 178.81 1d6k h ASP 45 N -0.56 0.00 0.00 3.26 3.58 -1.93 0.14 116.42 120.91 1d6k h ASP 45 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 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 0.03 0.31 0.00 1.17 -2.88 0.00 0.00 179.24 177.87 1d6k n LYS 46 N -3.72 0.00 0.13 0.28 4.81 -1.24 -3.24 118.16 115.19 1d6k n LYS 46 Ca -0.01 0.25 0.17 0.00 -0.87 0.00 0.00 58.31 57.85 1d6k n LYS 46 Cb 0.41 -1.25 0.75 0.00 0.02 0.00 0.00 35.03 34.97 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 0.62 0.02 3.15 3.04 -0.96 0.15 116.25 122.27 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 0.81 -0.04 0.00 -2.01 0.00 0.00 31.29 30.05 1d6k h VAL 47 CO 0.00 0.00 -0.41 -0.03 -1.01 0.00 0.00 177.57 176.12 1d6k h MET 48 N 0.00 -0.52 -0.02 4.17 1.85 -0.84 0.12 114.93 119.69 1d6k h MET 48 Ca 0.14 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.27 1d6k h MET 48 Cb 0.66 0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.80 1d6k h MET 48 CO -0.00 -0.34 0.11 -0.97 -0.40 0.00 0.00 176.91 175.31 1d6k h ASN 49 N -0.54 0.00 0.00 1.39 -1.24 -0.94 -0.36 115.58 113.90 1d6k h ASN 49 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 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 -0.26 0.00 -0.03 0.24 -1.29 0.00 0.00 177.43 176.09 1d6k h MET 50 N 0.00 0.00 0.00 6.67 2.86 -0.99 -3.34 114.93 120.13 1d6k h MET 50 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1d6k h MET 50 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1d6k h MET 50 CO -0.00 0.00 0.31 0.37 1.06 0.00 0.00 176.91 178.65 1d6k h GLN 51 N -0.26 0.00 0.00 1.72 -0.00 -0.78 -1.16 115.11 114.64 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 0.03 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.51 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 1.80 -2.46 3.38 0.00 -0.15 -4.66 120.51 116.62 1d6k n ALA 52 Ca -0.02 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 1d6k n ALA 52 Cb 0.35 -1.22 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.56 1.64 0.38 0.00 0.00 -0.44 -5.04 119.74 113.72 1d6k s LYS 53 Ca 0.13 -1.76 0.20 0.00 0.00 0.00 0.00 55.97 54.54 1d6k s LYS 53 Cb 0.09 -1.64 0.62 0.00 0.00 0.00 0.00 37.83 36.91 1d6k s LYS 53 CO 0.21 0.27 1.70 0.00 0.00 0.00 0.00 175.35 177.53 1d6k h ALA 54 N 2.28 0.93 -0.21 0.59 0.00 -1.87 -2.77 119.26 118.22 1d6k h ALA 54 Ca -0.40 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.27 1d6k h ALA 54 Cb 1.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1d6k h ALA 54 CO 0.62 0.41 0.31 0.93 0.00 0.00 0.00 179.25 181.53 1d6k h GLU 55 N 0.00 0.00 -0.02 0.00 5.08 -1.94 -0.77 114.58 116.93 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 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1d6k h GLU 55 CO 0.04 0.00 -0.07 0.35 -1.00 0.00 0.00 179.01 178.33 1d6k h PHE 56 N 0.00 0.10 0.00 4.33 3.04 -1.71 -1.44 116.94 121.26 1d6k h PHE 56 Ca 0.10 -0.04 -0.22 0.00 3.98 0.00 0.00 57.97 61.78 1d6k h PHE 56 Cb 0.73 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.19 1d6k h PHE 56 CO 0.00 0.72 -1.18 0.10 -2.02 0.00 0.00 178.31 175.93 1d6k h TYR 57 N -0.54 0.00 0.00 0.41 -0.00 -1.66 -3.34 116.97 111.84 1d6k h TYR 57 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1d6k h TYR 57 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.46 1d6k h TYR 57 CO 0.15 0.94 -0.44 1.03 -0.00 0.00 0.00 178.16 179.84 1d6k h SER 58 N 0.00 0.00 -4.23 0.10 0.87 -1.25 -3.37 113.55 105.67 1d6k h SER 58 Ca -0.10 -0.03 -0.34 0.00 -1.23 0.00 0.00 61.79 60.09 1d6k h SER 58 Cb 1.80 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 63.50 1d6k h SER 58 CO 0.11 0.02 -0.76 -1.61 -0.53 0.00 0.00 176.83 174.06 1d6k s GLU 59 N -3.24 0.57 0.54 2.24 2.02 -0.54 -5.01 118.70 115.27 1d6k s GLU 59 Ca 0.05 -0.45 -0.21 0.00 0.02 0.00 0.00 54.97 54.38 1d6k s GLU 59 Cb 0.09 -0.49 -0.05 0.00 0.10 0.00 0.00 34.13 33.78 1d6k s GLU 59 CO 0.71 0.12 1.29 0.54 0.02 0.00 0.00 175.26 177.94 1d6k s VAL 60 N -0.59 2.37 0.29 2.63 0.11 -1.26 -4.48 120.40 119.46 1d6k s VAL 60 Ca -0.01 0.27 0.10 0.00 -2.93 0.00 0.00 61.98 59.40 1d6k s VAL 60 Cb -0.05 -3.13 -0.05 0.00 -1.53 0.00 0.00 36.38 31.62 1d6k s VAL 60 CO 0.00 -0.02 -0.03 -0.76 -3.33 0.00 0.00 175.10 170.97 1d6k s LEU 61 N -3.58 3.03 -0.42 2.54 1.43 0.58 -4.83 118.68 117.42 1d6k s LEU 61 Ca 0.72 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1d6k s LEU 61 Cb -0.36 -1.52 0.11 0.00 0.03 0.00 0.00 46.19 44.46 1d6k s LEU 61 CO 0.42 -0.06 0.17 -0.89 0.23 0.00 0.00 176.35 176.22 1d6k s THR 62 N -2.41 2.77 -0.40 5.49 2.01 -1.26 -1.63 115.64 120.21 1d6k s THR 62 Ca 0.32 -2.51 -0.29 0.00 0.31 0.00 0.00 61.69 59.52 1d6k s THR 62 Cb -0.05 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.53 1d6k s THR 62 CO 0.19 -0.69 1.33 -0.63 -0.69 0.00 0.00 174.62 174.13 1d6k s ILE 63 N 0.64 4.01 -1.09 1.82 -1.09 0.11 -0.87 121.20 124.73 1d6k s ILE 63 Ca 0.12 1.06 -0.13 0.00 -2.23 0.00 0.00 60.65 59.46 1d6k s ILE 63 Cb -0.21 -4.28 0.20 0.00 -1.58 0.00 0.00 42.46 36.59 1d6k s ILE 63 CO -0.05 -0.76 1.22 -0.69 -1.23 0.00 0.00 174.94 173.44 1d6k s VAL 64 N 5.03 5.32 -0.68 2.92 1.01 -1.19 -0.53 120.40 132.27 1d6k s VAL 64 Ca 0.57 -2.66 -0.27 0.00 0.00 0.00 0.00 61.98 59.62 1d6k s VAL 64 Cb -0.13 -4.76 0.00 0.00 0.00 0.00 0.00 36.38 31.50 1d6k s VAL 64 CO 0.30 -1.42 1.60 0.68 0.00 0.00 0.00 175.10 176.26 1d6k s VAL 65 N 0.82 3.53 -1.51 2.92 -7.23 0.30 -1.50 120.40 117.73 1d6k s VAL 65 Ca 0.35 0.26 -0.01 0.00 -1.81 0.00 0.00 61.98 60.77 1d6k s VAL 65 Cb -0.06 -4.40 0.00 0.00 0.56 0.00 0.00 36.38 32.48 1d6k s VAL 65 CO -0.05 -1.35 0.05 -0.67 -0.31 0.00 0.00 175.10 172.77 1d6k n ASP 66 N 11.21 -5.20 0.00 4.85 2.03 -0.76 -1.11 116.55 127.57 1d6k n ASP 66 Ca 0.13 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1d6k n ASP 66 Cb 0.51 -4.34 0.00 0.00 -0.72 0.00 0.00 41.12 36.56 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 -0.98 0.33 3.63 0.27 0.00 -1.25 -5.07 105.19 102.12 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 -0.97 4.02 -0.43 1.61 1.02 -0.26 -5.02 119.74 119.70 1d6k s LYS 68 Ca 0.00 -0.29 -0.16 0.00 0.02 0.00 0.00 55.97 55.54 1d6k s LYS 68 Cb 0.00 -3.59 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1d6k s LYS 68 CO 0.00 -0.04 0.39 -1.21 -0.92 0.00 0.00 175.35 173.56 1d6k s GLU 69 N 1.36 3.02 -0.13 1.68 2.02 -1.26 -0.54 118.70 124.86 1d6k s GLU 69 Ca 0.07 -0.98 -0.01 0.00 0.02 0.00 0.00 54.97 54.07 1d6k s GLU 69 Cb -0.15 -4.01 -0.02 0.00 0.10 0.00 0.00 34.13 30.05 1d6k s GLU 69 CO 0.07 -0.87 -0.09 0.42 0.02 0.00 0.00 175.26 174.81 1d6k s ILE 70 N 1.89 3.42 -0.10 -1.63 1.09 0.31 -4.89 121.20 121.30 1d6k s ILE 70 Ca 0.08 -0.54 -0.24 0.00 -1.10 0.00 0.00 60.65 58.85 1d6k s ILE 70 Cb -0.19 -2.45 -0.03 0.00 -1.06 0.00 0.00 42.46 38.72 1d6k s ILE 70 CO 0.11 0.52 0.74 -0.54 -0.10 0.00 0.00 174.94 175.67 1d6k s LYS 71 N 0.19 4.39 0.16 2.79 -0.14 -1.26 0.06 119.74 125.93 1d6k s LYS 71 Ca -0.05 0.92 -0.14 0.00 -1.36 0.00 0.00 55.97 55.34 1d6k s LYS 71 Cb -0.15 -3.49 0.02 0.00 -1.68 0.00 0.00 37.83 32.53 1d6k s LYS 71 CO 0.04 -0.06 0.39 0.14 -0.76 0.00 0.00 175.35 175.10 1d6k s VAL 72 N 1.20 0.06 -0.02 3.17 -7.23 -0.65 -1.49 120.40 115.46 1d6k s VAL 72 Ca 0.38 -0.95 0.02 0.00 -1.81 0.00 0.00 61.98 59.61 1d6k s VAL 72 Cb -0.17 -1.52 0.01 0.00 0.56 0.00 0.00 36.38 35.25 1d6k s VAL 72 CO 0.17 -0.28 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.09 1d6k s LYS 73 N -3.88 0.58 0.55 4.82 1.02 -0.73 -0.31 119.74 121.79 1d6k s LYS 73 Ca 0.09 -0.16 -0.21 0.00 0.02 0.00 0.00 55.97 55.72 1d6k s LYS 73 Cb 0.02 -0.58 -0.05 0.00 -0.52 0.00 0.00 37.83 36.70 1d6k s LYS 73 CO -0.05 0.05 1.27 0.00 -0.92 0.00 0.00 175.35 175.69 1d6k s ALA 74 N 0.27 2.73 0.00 5.17 0.00 -1.26 -0.35 121.76 128.32 1d6k s ALA 74 Ca -0.03 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1d6k s ALA 74 Cb -0.07 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1d6k s ALA 74 CO -0.00 -1.17 0.00 1.04 0.00 0.00 0.00 175.76 175.63 1d6k n GLN 75 N -1.15 0.23 -3.34 0.00 1.13 -0.27 -4.81 117.38 109.17 1d6k n GLN 75 Ca 0.11 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.92 1d6k n GLN 75 Cb 0.47 -0.72 -0.09 0.00 0.11 0.00 0.00 30.24 30.01 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 -3.23 1.26 0.28 1.08 2.15 -1.22 -5.02 116.67 111.96 1d6k s ASP 76 Ca 0.00 -2.88 -0.29 0.00 0.43 0.00 0.00 52.55 49.81 1d6k s ASP 76 Cb 0.00 -0.22 -0.09 0.00 -0.30 0.00 0.00 42.92 42.30 1d6k s ASP 76 CO 0.00 -0.17 1.02 0.68 -0.17 0.00 0.00 175.17 176.53 1d6k s VAL 77 N 0.21 3.80 -0.21 1.11 -7.23 -1.26 -1.85 120.40 114.97 1d6k s VAL 77 Ca 0.32 1.75 0.01 0.00 -1.81 0.00 0.00 61.98 62.25 1d6k s VAL 77 Cb 0.02 -4.09 0.04 0.00 0.56 0.00 0.00 36.38 32.91 1d6k s VAL 77 CO -0.17 0.37 -0.13 -1.10 -0.31 0.00 0.00 175.10 173.76 1d6k s GLN 78 N -1.46 2.37 0.73 4.82 -0.21 0.57 -4.98 119.66 121.49 1d6k s GLN 78 Ca 0.44 -0.98 -0.11 0.00 0.02 0.00 0.00 55.36 54.74 1d6k s GLN 78 Cb -0.28 -2.59 0.03 0.00 1.00 0.00 0.00 33.01 31.17 1d6k s GLN 78 CO 0.35 -0.40 1.07 1.03 -2.12 0.00 0.00 175.29 175.22 1d6k s ARG 79 N 1.28 2.69 0.81 2.91 1.81 -1.26 -0.56 118.95 126.64 1d6k s ARG 79 Ca -0.02 0.77 -0.11 0.00 -1.72 0.00 0.00 55.73 54.66 1d6k s ARG 79 Cb -0.16 -1.98 0.08 0.00 -0.45 0.00 0.00 34.95 32.44 1d6k s ARG 79 CO -0.09 -1.23 1.11 -1.01 -0.68 0.00 0.00 175.30 173.41 1d6k s HIS 80 N -3.13 2.26 -1.12 -0.53 3.76 -0.03 -4.13 115.29 112.38 1d6k s HIS 80 Ca 0.59 1.63 0.29 0.00 -0.15 0.00 0.00 55.06 57.42 1d6k s HIS 80 Cb -0.14 -3.16 1.25 0.00 1.11 0.00 0.00 32.58 31.65 1d6k s HIS 80 CO 0.54 -2.14 1.92 -0.35 -0.85 0.00 0.00 174.74 173.87 1d6k n PRO 81 N -3.70 0.12 0.10 8.40 -0.04 -1.26 -4.63 135.00 133.99 1d6k n PRO 81 Ca 0.10 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 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 -1.43 -2.24 -2.43 0.54 4.19 -1.26 -5.13 117.16 109.39 1d6k n TYR 82 Ca 0.09 0.48 -0.30 0.00 3.31 0.00 0.00 57.90 61.47 1d6k n TYR 82 Cb 0.32 1.24 -0.01 0.00 0.49 0.00 0.00 39.34 41.37 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 3.72 -1.33 2.98 -2.85 -1.26 -4.98 119.74 114.03 1d6k s LYS 83 Ca 0.00 0.61 -0.17 0.00 -1.00 0.00 0.00 55.97 55.41 1d6k s LYS 83 Cb 0.00 -2.24 0.03 0.00 -2.06 0.00 0.00 37.83 33.56 1d6k s LYS 83 CO 0.00 -0.27 1.98 -0.35 0.10 0.00 0.00 175.35 176.81 1d6k n PRO 84 N -1.95 2.82 -1.53 1.78 -0.04 -1.26 -4.30 135.00 130.52 1d6k n PRO 84 Ca 0.04 -2.82 0.00 0.00 -0.04 0.00 0.00 63.50 60.68 1d6k n PRO 84 Cb 0.54 -3.38 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 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 7.27 0.39 -4.32 0.54 4.76 -1.26 -5.00 118.16 120.53 1d6k n LYS 85 Ca 0.50 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.75 1d6k n LYS 85 Cb 0.43 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.47 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 1.89 -0.04 -0.35 1.43 -1.26 -0.85 118.68 119.50 1d6k s LEU 86 Ca 0.00 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1d6k s LEU 86 Cb 0.00 -0.46 -0.27 0.00 0.03 0.00 0.00 46.19 45.49 1d6k s LEU 86 CO 0.00 0.08 0.69 1.56 0.23 0.00 0.00 176.35 178.90 1d6k h GLN 87 N 6.19 0.25 -1.28 1.70 1.08 -0.98 -3.43 115.11 118.64 1d6k h GLN 87 Ca -0.32 -0.42 0.23 0.00 -1.45 0.00 0.00 58.65 56.70 1d6k h GLN 87 Cb 1.18 0.16 -0.23 0.00 -0.05 0.00 0.00 27.48 28.53 1d6k h GLN 87 CO 0.49 1.09 0.85 -1.58 -0.95 0.00 0.00 178.83 178.73 1d6k s HIS 88 N -2.59 -0.11 0.05 2.96 5.04 -1.21 -4.60 115.29 114.81 1d6k s HIS 88 Ca -0.13 0.14 -0.00 0.00 -1.54 0.00 0.00 55.06 53.53 1d6k s HIS 88 Cb 0.07 0.50 -0.04 0.00 0.04 0.00 0.00 32.58 33.15 1d6k s HIS 88 CO 0.83 -0.14 -0.03 0.42 -2.34 0.00 0.00 174.74 173.48 1d6k s ILE 89 N -1.64 0.24 -0.04 0.89 1.01 -1.23 -0.32 121.20 120.12 1d6k s ILE 89 Ca 0.08 -1.59 -0.01 0.00 0.00 0.00 0.00 60.65 59.13 1d6k s ILE 89 Cb -0.01 -1.21 0.03 0.00 0.01 0.00 0.00 42.46 41.28 1d6k s ILE 89 CO -0.05 -0.85 0.07 -0.62 0.00 0.00 0.00 174.94 173.49 1d6k s ASP 90 N -2.55 0.19 0.03 3.58 -1.08 -0.77 -1.76 116.67 114.30 1d6k s ASP 90 Ca 0.02 0.13 0.07 0.00 -0.52 0.00 0.00 52.55 52.24 1d6k s ASP 90 Cb 0.03 0.00 -0.02 0.00 -1.46 0.00 0.00 42.92 41.47 1d6k s ASP 90 CO -0.07 -0.16 -0.20 -0.36 0.52 0.00 0.00 175.17 174.91 1d6k s PHE 91 N 1.30 1.73 0.14 -5.34 0.08 -0.26 -1.12 117.98 114.51 1d6k s PHE 91 Ca -0.07 -0.36 -0.08 0.00 0.12 0.00 0.00 56.93 56.54 1d6k s PHE 91 Cb -0.12 -1.05 -0.06 0.00 -0.57 0.00 0.00 43.02 41.21 1d6k s PHE 91 CO -0.04 0.05 0.44 0.14 -0.10 0.00 0.00 175.22 175.71 1d6k s VAL 92 N -0.70 5.06 -0.81 -0.44 -7.23 0.53 -1.05 120.40 115.76 1d6k s VAL 92 Ca 0.07 0.34 -0.24 0.00 -1.81 0.00 0.00 61.98 60.33 1d6k s VAL 92 Cb -0.08 -3.64 -0.16 0.00 0.56 0.00 0.00 36.38 33.06 1d6k s VAL 92 CO 0.01 0.11 2.39 0.54 -0.31 0.00 0.00 175.10 177.84 1d6k n ARG 93 N 0.36 0.50 0.00 4.82 5.12 0.01 -1.77 116.66 125.70 1d6k n ARG 93 Ca -0.04 -0.79 0.09 0.00 -1.93 0.00 0.00 57.85 55.18 1d6k n ARG 93 Cb 0.52 -3.45 0.51 0.00 -1.16 0.00 0.00 32.46 28.88 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70