#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 -0.83 -4.89 1.12 0.04 -1.96 -3.49 116.94 106.93 1d6k h PHE 2 Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1d6k h PHE 2 Cb 0.00 0.38 -0.07 0.00 2.20 0.00 0.00 35.95 38.46 1d6k h PHE 2 CO 0.00 -0.25 -1.27 2.41 -0.60 0.00 0.00 178.31 178.60 1d6k n THR 3 N -4.01-12.83 -3.59 -1.55 -1.04 -1.26 -4.95 114.28 85.06 1d6k n THR 3 Ca -0.02 2.90 -0.39 0.00 -2.04 0.00 0.00 64.05 64.51 1d6k n THR 3 Cb 0.17 -6.21 -0.06 0.00 -1.82 0.00 0.00 70.33 62.41 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 -0.61 4.51 -0.51 12.58 -1.09 -0.22 -4.88 121.20 130.97 1d6k s ILE 4 Ca -0.15 -3.35 -0.26 0.00 -2.23 0.00 0.00 60.65 54.66 1d6k s ILE 4 Cb 0.01 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 1d6k s ILE 4 CO 0.40 -1.03 2.21 0.20 -1.23 0.00 0.00 174.94 175.50 1d6k s ASN 5 N 0.58 4.78 0.00 3.58 -0.87 -1.26 -3.13 114.94 118.62 1d6k s ASN 5 Ca 0.23 0.89 0.00 0.00 -1.57 0.00 0.00 52.86 52.41 1d6k s ASN 5 Cb -0.12 -2.51 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 1d6k s ASN 5 CO -0.09 -2.65 0.00 0.00 -2.57 0.00 0.00 177.10 171.79 1d6k n ALA 6 N 14.58 0.00 -3.57 0.60 0.00 -0.90 -4.50 120.51 126.73 1d6k n ALA 6 Ca 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.62 1d6k n ALA 6 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 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 2.43 0.75 0.27 0.00 -1.05 -0.36 -1.62 118.70 119.11 1d6k s GLU 7 Ca 0.00 0.92 -0.30 0.00 -0.15 0.00 0.00 54.97 55.44 1d6k s GLU 7 Cb 0.00 0.34 -0.11 0.00 -0.44 0.00 0.00 34.13 33.93 1d6k s GLU 7 CO 0.00 -0.10 1.51 0.14 0.95 0.00 0.00 175.26 177.76 1d6k s VAL 8 N 0.47 2.41 0.06 1.83 -7.23 -1.26 -0.29 120.40 116.39 1d6k s VAL 8 Ca -0.01 0.34 0.05 0.00 -1.81 0.00 0.00 61.98 60.56 1d6k s VAL 8 Cb -0.05 -3.22 -0.03 0.00 0.56 0.00 0.00 36.38 33.65 1d6k s VAL 8 CO -0.01 0.05 -0.15 0.00 -0.31 0.00 0.00 175.10 174.68 1d6k s ARG 9 N -0.40 0.91 0.00 4.82 1.04 -0.10 -4.82 118.95 120.41 1d6k s ARG 9 Ca 0.61 -0.91 0.00 0.00 -1.04 0.00 0.00 55.73 54.39 1d6k s ARG 9 Cb -0.44 -0.96 0.00 0.00 -2.04 0.00 0.00 34.95 31.51 1d6k s ARG 9 CO 0.45 0.22 0.25 1.63 -0.04 0.00 0.00 175.30 177.81 1d6k n LYS 10 N 1.49 0.10 0.00 3.89 4.76 -1.26 -4.26 118.16 122.88 1d6k n LYS 10 Ca -0.20 -0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.00 1d6k n LYS 10 Cb 0.54 -0.72 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 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 -0.08 0.65 -0.16 1.97 0.00 -1.26 -4.44 120.64 117.31 1d6k n GLU 11 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 57.16 57.40 1d6k n GLU 11 Cb 0.09 -1.14 0.65 0.00 0.00 0.00 0.00 31.44 31.04 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 0.15 0.13 0.00 3.44 -0.00 -1.96 -0.32 115.11 116.55 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 0.14 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.59 1d6k h GLN 12 CO 0.00 0.09 0.32 0.41 -0.00 0.00 0.00 178.83 179.65 1d6k n GLY 13 N -1.63 -0.58 0.00 0.06 0.00 -1.26 -4.50 105.19 97.28 1d6k n GLY 13 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.99 0.00 -0.30 1.61 0.00 -1.21 -5.04 118.16 111.24 1d6k n LYS 14 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.26 1d6k n LYS 14 Cb 0.34 0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.45 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 1.15 0.86 3.14 0.00 -1.76 -1.92 103.07 104.54 1d6k h GLY 15 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1d6k h GLY 15 CO 0.00 0.42 0.05 0.00 0.00 0.00 0.00 176.54 177.01 1d6k h ALA 16 N 1.30 0.22 -0.64 3.60 0.00 -1.33 -1.70 119.26 120.71 1d6k h ALA 16 Ca 0.30 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1d6k h ALA 16 Cb -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1d6k h ALA 16 CO -0.07 -0.16 0.43 0.77 0.00 0.00 0.00 179.25 180.22 1d6k h SER 17 N 0.09 0.39 0.25 0.00 0.02 -1.57 0.11 113.55 112.84 1d6k h SER 17 Ca 0.05 0.01 -0.34 0.00 -0.84 0.00 0.00 61.79 60.68 1d6k h SER 17 Cb 0.23 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1d6k h SER 17 CO -0.00 0.23 -1.97 -2.11 -1.14 0.00 0.00 176.83 171.84 1d6k n ARG 18 N -4.47 0.69 -0.07 3.45 -4.01 -1.06 -3.24 116.66 107.95 1d6k n ARG 18 Ca 0.11 0.23 -0.15 0.00 -1.04 0.00 0.00 57.85 57.00 1d6k n ARG 18 Cb 0.40 -1.70 -0.05 0.00 -3.04 0.00 0.00 32.46 28.07 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 0.03 0.79 0.95 2.89 0.11 -0.77 -0.90 114.38 117.47 1d6k h ARG 19 Ca -0.40 -0.51 -0.05 0.00 0.10 0.00 0.00 59.98 59.12 1d6k h ARG 19 Cb 2.04 0.07 0.01 0.00 1.11 0.00 0.00 29.97 33.20 1d6k h ARG 19 CO 0.06 1.14 -0.45 -0.07 0.10 0.00 0.00 179.97 180.75 1d6k h LEU 20 N 0.53 -1.08 -2.28 0.08 4.07 -1.17 -1.84 115.31 113.63 1d6k h LEU 20 Ca 0.01 0.04 0.04 0.00 0.08 0.00 0.00 57.88 58.04 1d6k h LEU 20 Cb 1.12 0.28 -0.01 0.00 1.08 0.00 0.00 40.66 43.14 1d6k h LEU 20 CO 0.11 -0.75 0.14 -0.09 -1.08 0.00 0.00 178.44 176.77 1d6k h ARG 21 N -1.31 0.00 0.00 1.13 1.12 -1.49 0.34 114.38 114.16 1d6k h ARG 21 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 1d6k h ARG 21 Cb 0.98 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.94 1d6k h ARG 21 CO 0.21 0.00 0.00 0.00 -3.11 0.00 0.00 179.97 177.07 1d6k n ALA 22 N -2.34 2.05 -1.30 2.80 0.00 -0.34 -3.57 120.51 117.81 1d6k n ALA 22 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.46 1d6k n ALA 22 Cb 0.25 -1.40 0.08 0.00 0.00 0.00 0.00 19.45 18.39 1d6k n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d6k n ALA 23 N -1.60 2.12 -0.92 0.00 0.00 0.02 -5.00 120.51 115.13 1d6k n ALA 23 Ca 0.05 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.55 1d6k n ALA 23 Cb 0.30 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.88 -3.88 -4.35 0.00 3.02 -0.82 -4.99 115.26 103.35 1d6k n ASN 24 Ca 0.09 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.37 1d6k n ASN 24 Cb 0.63 -2.34 0.15 0.00 -0.61 0.00 0.00 39.78 37.62 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 1.06 -0.07 3.52 1.02 -0.67 -2.72 119.74 120.68 1d6k s LYS 25 Ca 0.00 -0.64 -0.29 0.00 0.02 0.00 0.00 55.97 55.06 1d6k s LYS 25 Cb 0.00 -2.02 0.11 0.00 -0.52 0.00 0.00 37.83 35.40 1d6k s LYS 25 CO 0.00 -2.04 0.90 -0.59 -0.92 0.00 0.00 175.35 172.70 1d6k s PHE 26 N -3.62 -0.40 0.76 3.18 -0.71 -0.72 -2.82 117.98 113.66 1d6k s PHE 26 Ca 0.71 0.49 -0.11 0.00 -1.04 0.00 0.00 56.93 56.99 1d6k s PHE 26 Cb -0.05 0.49 0.05 0.00 -1.21 0.00 0.00 43.02 42.30 1d6k s PHE 26 CO 0.50 -0.48 1.09 -1.25 -1.34 0.00 0.00 175.22 173.74 1d6k s PRO 27 N -2.09 2.33 0.28 1.99 0.04 -1.26 -3.26 135.00 133.03 1d6k s PRO 27 Ca 0.00 1.15 -0.03 0.00 0.04 0.00 0.00 61.00 62.16 1d6k s PRO 27 Cb -0.01 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1d6k s PRO 27 CO -0.03 -1.59 0.35 0.00 0.04 0.00 0.00 177.00 175.78 1d6k s ALA 28 N -2.91 0.82 0.12 8.56 0.00 -0.97 -3.79 121.76 123.59 1d6k s ALA 28 Ca 0.61 -1.51 0.05 0.00 0.00 0.00 0.00 51.96 51.11 1d6k s ALA 28 Cb -0.17 1.25 -0.04 0.00 0.00 0.00 0.00 23.12 24.16 1d6k s ALA 28 CO 0.56 -0.73 -0.12 -1.50 0.00 0.00 0.00 175.76 173.96 1d6k s ILE 29 N -3.62 1.20 -0.40 0.00 1.10 -0.55 -2.26 121.20 116.67 1d6k s ILE 29 Ca 0.33 -1.78 0.02 0.00 -0.51 0.00 0.00 60.65 58.71 1d6k s ILE 29 Cb 0.02 -1.56 0.12 0.00 0.15 0.00 0.00 42.46 41.19 1d6k s ILE 29 CO 0.17 -0.53 0.17 -0.63 -2.11 0.00 0.00 174.94 172.01 1d6k s ILE 30 N -2.49 1.63 0.28 2.00 1.01 -0.51 -1.10 121.20 122.02 1d6k s ILE 30 Ca 0.10 -2.35 0.03 0.00 0.00 0.00 0.00 60.65 58.43 1d6k s ILE 30 Cb -0.03 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.31 1d6k s ILE 30 CO 0.02 -0.77 0.28 0.00 0.00 0.00 0.00 174.94 174.47 1d6k n TYR 31 N 3.93 -1.62 0.00 3.97 0.18 -0.32 -0.42 117.16 122.88 1d6k n TYR 31 Ca 0.04 -1.13 0.00 0.00 1.88 0.00 0.00 57.90 58.69 1d6k n TYR 31 Cb 0.37 -0.24 0.00 0.00 -0.38 0.00 0.00 39.34 39.09 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 1.58 0.00 5.00 -7.48 0.00 -1.26 -1.40 105.19 101.63 1d6k n GLY 32 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.21 0.31 -0.02 0.00 -1.26 -4.67 105.19 100.76 1d6k n GLY 33 Ca 0.00 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.19 1d6k n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d6k h LYS 34 N 0.00 0.00 0.00 1.61 1.57 -2.03 -2.48 116.57 115.24 1d6k h LYS 34 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1d6k h LYS 34 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1d6k h LYS 34 CO 0.00 0.02 0.00 0.39 -0.57 0.00 0.00 179.45 179.29 1d6k n GLU 35 N -3.51 0.68 -1.26 3.15 1.02 -1.26 -5.14 120.64 114.31 1d6k n GLU 35 Ca -0.03 -0.69 0.15 0.00 -0.02 0.00 0.00 57.16 56.58 1d6k n GLU 35 Cb 0.11 -0.64 -0.08 0.00 -0.02 0.00 0.00 31.44 30.81 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 -0.12 -3.32 -2.48 0.62 0.00 -0.93 -5.06 120.51 109.22 1d6k n ALA 36 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.23 1d6k n ALA 36 Cb 0.40 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1d6k n ALA 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1d6k n PRO 37 N -4.06 1.18 -3.21 0.00 -0.04 -1.26 -4.73 135.00 122.88 1d6k n PRO 37 Ca -0.07 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.38 1d6k n PRO 37 Cb 0.60 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.04 1d6k n PRO 37 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1d6k s LEU 38 N 0.00 -1.33 0.16 1.53 2.96 0.43 -4.97 118.68 117.47 1d6k s LEU 38 Ca 0.00 -0.13 -0.30 0.00 -0.22 0.00 0.00 54.13 53.48 1d6k s LEU 38 Cb 0.00 1.71 -0.08 0.00 0.50 0.00 0.00 46.19 48.32 1d6k s LEU 38 CO 0.00 -0.30 1.28 0.00 -1.32 0.00 0.00 176.35 176.01 1d6k s ALA 39 N 2.61 3.50 -0.02 5.97 0.00 -1.26 -1.42 121.76 131.13 1d6k s ALA 39 Ca 0.11 1.03 -0.00 0.00 0.00 0.00 0.00 51.96 53.10 1d6k s ALA 39 Cb -0.10 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.58 1d6k s ALA 39 CO -0.25 -0.50 0.03 0.96 0.00 0.00 0.00 175.76 176.00 1d6k s ILE 40 N 0.42 -0.05 -0.33 0.00 -5.25 -0.96 -0.92 121.20 114.11 1d6k s ILE 40 Ca 0.58 0.23 -0.27 0.00 -0.99 0.00 0.00 60.65 60.19 1d6k s ILE 40 Cb -0.35 -0.10 0.01 0.00 2.95 0.00 0.00 42.46 44.98 1d6k s ILE 40 CO 0.35 0.10 1.00 -0.70 -1.79 0.00 0.00 174.94 173.89 1d6k s GLU 41 N 1.17 4.01 0.22 0.37 2.12 0.60 -2.29 118.70 124.90 1d6k s GLU 41 Ca -0.08 0.90 0.02 0.00 0.36 0.00 0.00 54.97 56.17 1d6k s GLU 41 Cb -0.13 -3.75 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 1d6k s GLU 41 CO -0.03 -0.87 0.04 -0.48 -0.54 0.00 0.00 175.26 173.38 1d6k s LEU 42 N 3.49 1.92 0.16 2.70 2.34 -1.20 -1.22 118.68 126.87 1d6k s LEU 42 Ca 0.42 -1.27 -0.30 0.00 0.06 0.00 0.00 54.13 53.03 1d6k s LEU 42 Cb -0.12 -0.06 -0.07 0.00 -0.56 0.00 0.00 46.19 45.37 1d6k s LEU 42 CO 0.15 -0.63 1.16 -0.62 -1.06 0.00 0.00 176.35 175.36 1d6k s ASP 43 N -3.26 7.15 -0.05 1.48 -1.08 -1.26 -1.75 116.67 117.90 1d6k s ASP 43 Ca 0.31 2.13 -0.22 0.00 -0.52 0.00 0.00 52.55 54.25 1d6k s ASP 43 Cb 0.07 -2.60 -0.16 0.00 -1.46 0.00 0.00 42.92 38.77 1d6k s ASP 43 CO 0.09 -0.34 0.91 -0.74 0.52 0.00 0.00 175.17 175.61 1d6k h HIS 44 N 5.52 -0.19 0.00 -5.34 -0.00 -1.80 -2.89 115.15 110.45 1d6k h HIS 44 Ca -0.44 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 59.90 1d6k h HIS 44 Cb 1.21 0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 28.68 1d6k h HIS 44 CO 0.63 0.25 -0.13 0.22 -0.00 0.00 0.00 177.93 178.90 1d6k h ASP 45 N -0.84 0.00 0.00 3.26 3.58 -1.94 0.22 116.42 120.70 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 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1d6k h ASP 45 CO 0.04 0.13 0.00 1.17 -2.88 0.00 0.00 179.24 177.70 1d6k n LYS 46 N -3.46 0.00 -0.03 0.28 4.81 -1.25 -3.24 118.16 115.27 1d6k n LYS 46 Ca -0.01 0.02 0.24 0.00 -0.87 0.00 0.00 58.31 57.69 1d6k n LYS 46 Cb 0.30 -0.89 0.70 0.00 0.02 0.00 0.00 35.03 35.15 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 0.34 -0.01 3.15 3.04 -1.25 0.97 116.25 122.49 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 0.51 -0.04 0.00 -2.01 0.00 0.00 31.29 29.76 1d6k h VAL 47 CO 0.00 0.00 -0.35 -0.03 -1.01 0.00 0.00 177.57 176.18 1d6k h MET 48 N 0.00 -0.42 -0.19 4.17 1.85 -0.69 0.12 114.93 119.76 1d6k h MET 48 Ca 0.31 0.03 0.06 0.00 -0.61 0.00 0.00 59.70 59.48 1d6k h MET 48 Cb 1.56 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 33.68 1d6k h MET 48 CO -0.00 -0.28 0.26 -0.97 -0.40 0.00 0.00 176.91 175.52 1d6k h ASN 49 N -0.44 0.00 0.00 1.39 -1.24 -0.78 -1.51 115.58 113.01 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 0.47 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.52 1d6k h ASN 49 CO -0.24 0.00 -0.05 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 -1.09 -3.32 114.93 120.04 1d6k h MET 50 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1d6k h MET 50 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1d6k h MET 50 CO -0.00 0.00 0.25 0.37 1.06 0.00 0.00 176.91 178.59 1d6k h GLN 51 N -0.44 0.00 0.00 1.72 -0.00 -0.84 -1.43 115.11 114.12 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 0.05 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.53 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 2.10 -2.42 3.38 0.00 -0.57 -4.65 120.51 116.56 1d6k n ALA 52 Ca -0.02 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 1d6k n ALA 52 Cb 0.29 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.30 1.36 0.43 0.00 0.00 -0.54 -5.05 119.74 113.65 1d6k s LYS 53 Ca 0.23 -1.53 0.24 0.00 0.00 0.00 0.00 55.97 54.91 1d6k s LYS 53 Cb 0.13 -1.33 0.85 0.00 0.00 0.00 0.00 37.83 37.48 1d6k s LYS 53 CO 0.26 0.25 1.79 0.00 0.00 0.00 0.00 175.35 177.65 1d6k h ALA 54 N 2.86 0.99 -0.12 0.59 0.00 -1.86 -2.57 119.26 119.14 1d6k h ALA 54 Ca -0.40 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.34 1d6k h ALA 54 Cb 1.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1d6k h ALA 54 CO 0.56 0.28 0.22 0.93 0.00 0.00 0.00 179.25 181.24 1d6k h GLU 55 N 0.00 0.00 0.01 0.00 5.08 -1.93 -0.34 114.58 117.39 1d6k h GLU 55 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1d6k h GLU 55 Cb 0.80 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.06 1d6k h GLU 55 CO 0.03 0.00 -0.66 0.35 -1.00 0.00 0.00 179.01 177.73 1d6k h PHE 56 N 0.00 0.65 0.00 4.33 3.04 -1.67 -1.60 116.94 121.69 1d6k h PHE 56 Ca 0.06 -0.36 -0.25 0.00 3.98 0.00 0.00 57.97 61.40 1d6k h PHE 56 Cb 0.49 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.89 1d6k h PHE 56 CO 0.00 1.18 -1.42 0.10 -2.02 0.00 0.00 178.31 176.16 1d6k h TYR 57 N -0.07 0.00 0.00 0.41 -0.00 -1.66 -3.33 116.97 112.32 1d6k h TYR 57 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.48 1d6k h TYR 57 Cb 1.37 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.08 1d6k h TYR 57 CO 0.14 0.96 -0.79 1.03 -0.00 0.00 0.00 178.16 179.51 1d6k h SER 58 N 0.00 0.00 -4.29 0.10 0.87 -1.18 -3.37 113.55 105.68 1d6k h SER 58 Ca -0.18 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 59.92 1d6k h SER 58 Cb 1.89 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 63.59 1d6k h SER 58 CO 0.09 0.79 -0.80 -1.61 -0.53 0.00 0.00 176.83 174.77 1d6k s GLU 59 N -2.88 1.03 0.63 2.24 2.02 -0.60 -5.03 118.70 116.10 1d6k s GLU 59 Ca 0.02 -0.70 -0.19 0.00 0.02 0.00 0.00 54.97 54.12 1d6k s GLU 59 Cb 0.09 -1.03 -0.02 0.00 0.10 0.00 0.00 34.13 33.27 1d6k s GLU 59 CO 0.79 0.26 1.31 1.55 0.02 0.00 0.00 175.26 179.19 1d6k n VAL 60 N 2.12 4.72 -4.35 2.63 3.14 -1.26 -4.42 118.33 120.91 1d6k n VAL 60 Ca -0.17 -0.50 -0.23 0.00 -2.96 0.00 0.00 64.34 60.48 1d6k n VAL 60 Cb 0.55 -1.53 -0.08 0.00 -1.06 0.00 0.00 33.84 31.72 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 -4.13 3.00 -0.45 6.55 1.43 0.71 -4.84 118.68 120.95 1d6k s LEU 61 Ca 0.80 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1d6k s LEU 61 Cb -0.39 -1.50 0.12 0.00 0.03 0.00 0.00 46.19 44.45 1d6k s LEU 61 CO 0.42 -0.02 0.20 -0.89 0.23 0.00 0.00 176.35 176.29 1d6k s THR 62 N -2.40 2.77 -0.51 5.49 2.01 -1.26 -1.75 115.64 119.99 1d6k s THR 62 Ca 0.31 -2.67 -0.27 0.00 0.31 0.00 0.00 61.69 59.38 1d6k s THR 62 Cb -0.05 -2.93 0.03 0.00 0.01 0.00 0.00 72.50 69.56 1d6k s THR 62 CO 0.18 -0.72 1.03 -0.63 -0.69 0.00 0.00 174.62 173.80 1d6k s ILE 63 N 0.45 4.30 -1.10 1.82 1.01 0.84 -1.06 121.20 127.46 1d6k s ILE 63 Ca 0.13 0.78 -0.14 0.00 0.00 0.00 0.00 60.65 61.42 1d6k s ILE 63 Cb -0.22 -4.56 0.19 0.00 0.01 0.00 0.00 42.46 37.88 1d6k s ILE 63 CO -0.04 -1.04 1.25 -0.69 0.00 0.00 0.00 174.94 174.41 1d6k s VAL 64 N 4.21 5.21 -0.83 2.92 1.01 -1.18 -0.56 120.40 131.17 1d6k s VAL 64 Ca 0.39 -2.55 -0.25 0.00 0.00 0.00 0.00 61.98 59.57 1d6k s VAL 64 Cb -0.09 -4.79 0.00 0.00 0.00 0.00 0.00 36.38 31.50 1d6k s VAL 64 CO 0.26 -1.46 1.66 0.68 0.00 0.00 0.00 175.10 176.24 1d6k s VAL 65 N 1.14 3.60 -1.70 2.92 -7.23 0.57 -2.11 120.40 117.59 1d6k s VAL 65 Ca 0.36 -0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 1d6k s VAL 65 Cb -0.05 -4.45 0.00 0.00 0.56 0.00 0.00 36.38 32.44 1d6k s VAL 65 CO -0.04 -1.38 0.00 -0.67 -0.31 0.00 0.00 175.10 172.69 1d6k n ASP 66 N 11.42 -5.26 0.00 4.85 2.03 -0.64 -1.61 116.55 127.34 1d6k n ASP 66 Ca 0.26 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.72 1d6k n ASP 66 Cb 0.50 -4.47 0.00 0.00 -0.72 0.00 0.00 41.12 36.42 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 -0.79 0.76 3.61 0.27 0.00 -1.24 -5.09 105.19 102.71 1d6k n GLY 67 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.49 4.01 -0.39 1.61 1.02 -0.64 -5.01 119.74 119.85 1d6k s LYS 68 Ca 0.00 -0.10 -0.21 0.00 0.02 0.00 0.00 55.97 55.68 1d6k s LYS 68 Cb 0.00 -3.64 0.01 0.00 -0.52 0.00 0.00 37.83 33.68 1d6k s LYS 68 CO 0.00 -0.21 0.67 -1.21 -0.92 0.00 0.00 175.35 173.68 1d6k s GLU 69 N 1.85 3.55 -0.18 1.68 2.02 -1.26 -0.32 118.70 126.04 1d6k s GLU 69 Ca 0.12 -0.06 -0.01 0.00 0.02 0.00 0.00 54.97 55.04 1d6k s GLU 69 Cb -0.16 -3.86 -0.01 0.00 0.10 0.00 0.00 34.13 30.21 1d6k s GLU 69 CO 0.10 -0.86 -0.11 0.42 0.02 0.00 0.00 175.26 174.83 1d6k s ILE 70 N 2.83 2.97 -0.19 -1.63 1.09 0.27 -4.90 121.20 121.64 1d6k s ILE 70 Ca 0.25 -0.65 -0.26 0.00 -1.10 0.00 0.00 60.65 58.88 1d6k s ILE 70 Cb -0.14 -2.29 -0.01 0.00 -1.06 0.00 0.00 42.46 38.96 1d6k s ILE 70 CO 0.17 0.49 0.89 -0.54 -0.10 0.00 0.00 174.94 175.85 1d6k s LYS 71 N 0.99 4.27 0.05 2.79 -0.14 -1.26 -0.11 119.74 126.33 1d6k s LYS 71 Ca -0.01 1.11 -0.13 0.00 -1.36 0.00 0.00 55.97 55.58 1d6k s LYS 71 Cb -0.15 -3.60 0.02 0.00 -1.68 0.00 0.00 37.83 32.42 1d6k s LYS 71 CO -0.01 -0.44 0.29 0.14 -0.76 0.00 0.00 175.35 174.56 1d6k s VAL 72 N 2.54 0.09 -0.06 3.17 -7.23 -0.71 -1.37 120.40 116.82 1d6k s VAL 72 Ca 0.40 -0.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.86 1d6k s VAL 72 Cb -0.16 -0.98 0.01 0.00 0.56 0.00 0.00 36.38 35.80 1d6k s VAL 72 CO 0.10 -0.41 -0.16 -0.54 -0.31 0.00 0.00 175.10 173.79 1d6k s LYS 73 N -2.74 1.94 0.31 4.82 3.01 -0.57 -0.21 119.74 126.30 1d6k s LYS 73 Ca -0.04 -0.55 -0.29 0.00 -1.01 0.00 0.00 55.97 54.08 1d6k s LYS 73 Cb -0.00 -1.59 -0.10 0.00 -1.01 0.00 0.00 37.83 35.12 1d6k s LYS 73 CO -0.05 0.12 1.43 0.00 0.51 0.00 0.00 175.35 177.36 1d6k s ALA 74 N 0.41 3.59 0.00 5.17 0.00 -1.25 -0.87 121.76 128.81 1d6k s ALA 74 Ca -0.12 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1d6k s ALA 74 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1d6k s ALA 74 CO 0.04 -0.81 0.00 0.94 0.00 0.00 0.00 175.76 175.94 1d6k n GLN 75 N 1.45 1.34 -3.28 0.00 -0.06 -0.19 -4.66 117.38 111.98 1d6k n GLN 75 Ca 0.04 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 54.99 1d6k n GLN 75 Cb 0.40 -0.81 -0.05 0.00 -4.06 0.00 0.00 30.24 25.71 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 -2.89 -0.25 0.30 1.69 2.15 -1.21 -5.03 116.67 111.43 1d6k s ASP 76 Ca 0.00 0.26 -0.16 0.00 0.43 0.00 0.00 52.55 53.09 1d6k s ASP 76 Cb 0.00 1.43 -0.09 0.00 -0.30 0.00 0.00 42.92 43.96 1d6k s ASP 76 CO 0.00 -0.30 0.73 0.68 -0.17 0.00 0.00 175.17 176.11 1d6k s VAL 77 N 2.64 4.66 -0.25 1.11 -7.23 -1.26 -1.06 120.40 119.00 1d6k s VAL 77 Ca 0.14 1.01 0.00 0.00 -1.81 0.00 0.00 61.98 61.33 1d6k s VAL 77 Cb -0.14 -3.66 0.07 0.00 0.56 0.00 0.00 36.38 33.21 1d6k s VAL 77 CO -0.21 -0.11 -0.01 -1.58 -0.31 0.00 0.00 175.10 172.88 1d6k s GLN 78 N -2.79 1.37 0.66 4.82 0.74 0.23 -4.98 119.66 119.71 1d6k s GLN 78 Ca 0.52 -1.03 -0.08 0.00 0.05 0.00 0.00 55.36 54.82 1d6k s GLN 78 Cb -0.11 -2.51 0.03 0.00 1.10 0.00 0.00 33.01 31.51 1d6k s GLN 78 CO 0.18 -0.69 0.99 1.03 -0.55 0.00 0.00 175.29 176.25 1d6k s ARG 79 N 1.43 2.63 0.91 1.67 1.81 -1.26 -0.56 118.95 125.58 1d6k s ARG 79 Ca -0.01 0.03 -0.11 0.00 -1.72 0.00 0.00 55.73 53.92 1d6k s ARG 79 Cb -0.18 -2.17 0.14 0.00 -0.45 0.00 0.00 34.95 32.29 1d6k s ARG 79 CO -0.09 -0.99 1.10 -1.01 -0.68 0.00 0.00 175.30 173.63 1d6k s HIS 80 N -3.18 2.05 0.07 -0.53 3.76 -0.08 -4.19 115.29 113.18 1d6k s HIS 80 Ca 0.57 1.47 -0.00 0.00 -0.15 0.00 0.00 55.06 56.95 1d6k s HIS 80 Cb -0.11 -3.18 -0.26 0.00 1.11 0.00 0.00 32.58 30.15 1d6k s HIS 80 CO 0.47 -2.57 1.10 -1.00 -0.85 0.00 0.00 174.74 171.88 1d6k h PRO 81 N -1.69 0.18 0.00 8.40 0.13 -1.97 -3.41 132.00 133.64 1d6k h PRO 81 Ca -0.48 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 1d6k h PRO 81 Cb 1.27 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1d6k h PRO 81 CO 0.49 1.11 -0.04 0.66 -0.23 0.00 0.00 178.00 179.99 1d6k n TYR 82 N -3.45 0.00 -4.10 1.56 4.01 -1.26 -5.09 117.16 108.84 1d6k n TYR 82 Ca -0.08 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.44 1d6k n TYR 82 Cb 1.01 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.00 1d6k n TYR 82 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1d6k s LYS 83 N -0.20 2.95 0.00 -0.72 1.02 -1.26 -5.02 119.74 116.51 1d6k s LYS 83 Ca 0.00 -1.05 0.02 0.00 0.02 0.00 0.00 55.97 54.96 1d6k s LYS 83 Cb 0.00 -2.58 0.11 0.00 -0.52 0.00 0.00 37.83 34.84 1d6k s LYS 83 CO 0.00 0.39 0.76 -0.35 -0.92 0.00 0.00 175.35 175.24 1d6k n PRO 84 N -1.20 0.68 0.00 -1.68 -0.04 -1.26 -4.21 135.00 127.29 1d6k n PRO 84 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1d6k n PRO 84 Cb 0.58 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 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 -0.54 0.02 -4.35 0.54 4.76 -1.26 -4.84 118.16 112.49 1d6k n LYS 85 Ca 0.01 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.25 1d6k n LYS 85 Cb 0.01 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 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 2.51 0.00 -0.35 1.43 -1.26 -0.90 118.68 120.11 1d6k s LEU 86 Ca 0.00 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 1d6k s LEU 86 Cb 0.00 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.45 1d6k s LEU 86 CO 0.00 -0.10 0.00 0.00 0.23 0.00 0.00 176.35 176.48 1d6k n GLN 87 N -0.12 1.82 -3.59 1.70 6.02 0.28 -4.45 117.38 119.03 1d6k n GLN 87 Ca -0.10 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.85 1d6k n GLN 87 Cb 0.59 -0.93 -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 -1.77 -0.14 -0.04 1.08 5.04 -1.07 -4.59 115.29 113.79 1d6k s HIS 88 Ca 0.00 0.07 -0.09 0.00 -1.54 0.00 0.00 55.06 53.50 1d6k s HIS 88 Cb 0.00 0.52 0.02 0.00 0.04 0.00 0.00 32.58 33.16 1d6k s HIS 88 CO 0.00 -0.27 0.21 0.42 -2.34 0.00 0.00 174.74 172.76 1d6k s ILE 89 N -2.53 0.04 -0.15 0.89 1.01 -1.25 -0.60 121.20 118.61 1d6k s ILE 89 Ca 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 60.65 60.44 1d6k s ILE 89 Cb -0.00 -0.40 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 1d6k s ILE 89 CO -0.05 -0.17 -0.14 -1.81 0.00 0.00 0.00 174.94 172.77 1d6k s ASP 90 N -0.61 3.73 0.28 3.58 1.01 -0.23 -1.48 116.67 122.96 1d6k s ASP 90 Ca -0.07 -0.45 0.09 0.00 0.71 0.00 0.00 52.55 52.83 1d6k s ASP 90 Cb -0.04 -1.58 -0.04 0.00 1.01 0.00 0.00 42.92 42.27 1d6k s ASP 90 CO 0.01 0.09 0.04 -0.36 0.21 0.00 0.00 175.17 175.17 1d6k s PHE 91 N 0.79 2.74 0.14 4.23 0.40 -0.26 -1.02 117.98 125.00 1d6k s PHE 91 Ca -0.05 -0.24 0.10 0.00 -0.60 0.00 0.00 56.93 56.13 1d6k s PHE 91 Cb -0.15 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 1d6k s PHE 91 CO 0.00 0.56 -0.24 0.14 0.70 0.00 0.00 175.22 176.39 1d6k s VAL 92 N -2.33 2.08 -0.79 -0.44 -7.23 -0.05 -1.18 120.40 110.46 1d6k s VAL 92 Ca 0.33 -1.78 -0.23 0.00 -1.81 0.00 0.00 61.98 58.49 1d6k s VAL 92 Cb -0.06 -1.89 -0.18 0.00 0.56 0.00 0.00 36.38 34.82 1d6k s VAL 92 CO 0.21 -0.04 2.39 0.54 -0.31 0.00 0.00 175.10 177.89 1d6k n ARG 93 N 0.75 0.48 0.00 4.82 5.12 -0.49 -1.51 116.66 125.82 1d6k n ARG 93 Ca -0.17 -0.39 0.06 0.00 -1.93 0.00 0.00 57.85 55.42 1d6k n ARG 93 Cb 0.54 -2.83 0.34 0.00 -1.16 0.00 0.00 32.46 29.36 1d6k n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70