#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkq s LEU -4 N 0.00 -0.03 0.87 1.20 1.43 -1.26 -5.17 118.68 115.72 3dkq s LEU -4 Ca 0.00 0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.05 3dkq s LEU -4 Cb 0.00 0.24 0.18 0.00 0.03 0.00 0.00 46.19 46.64 3dkq s LEU -4 CO 0.00 -0.28 1.19 -0.72 0.23 0.00 0.00 176.35 176.77 3dkq s TYR -3 N 2.28 1.34 -0.21 0.29 -0.85 -1.26 -5.05 117.35 113.89 3dkq s TYR -3 Ca 0.04 -0.05 -0.11 0.00 -0.52 0.00 0.00 57.07 56.44 3dkq s TYR -3 Cb -0.14 -3.64 -0.05 0.00 0.38 0.00 0.00 41.96 38.52 3dkq s TYR -3 CO -0.08 -2.34 0.16 -0.06 -1.52 0.00 0.00 175.55 171.71 3dkq s PHE -2 N -3.58 3.38 -1.22 -3.49 0.08 -1.26 -4.60 117.98 107.29 3dkq s PHE -2 Ca 0.72 0.32 -0.17 0.00 0.12 0.00 0.00 56.93 57.92 3dkq s PHE -2 Cb -0.03 -2.22 0.11 0.00 -0.57 0.00 0.00 43.02 40.31 3dkq s PHE -2 CO 0.50 0.20 1.56 -0.65 -0.10 0.00 0.00 175.22 176.73 3dkq s GLN -1 N 0.62 3.98 0.00 0.44 -0.21 -1.26 -4.94 119.66 118.29 3dkq s GLN -1 Ca 0.09 -2.15 0.00 0.00 0.02 0.00 0.00 55.36 53.32 3dkq s GLN -1 Cb -0.12 -5.30 0.00 0.00 1.00 0.00 0.00 33.01 28.59 3dkq s GLN -1 CO 0.01 -2.03 0.00 0.41 -2.12 0.00 0.00 175.29 171.56 3dkq n GLY 0 N 5.01 0.84 0.00 3.09 0.00 -1.26 -4.75 105.19 108.12 3dkq n GLY 0 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3dkq n GLY 0 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3dkq n LEU 2 N 0.00 0.00 -4.30 0.99 -0.00 -1.26 -5.14 117.00 107.29 3dkq n LEU 2 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.70 3dkq n LEU 2 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 3dkq n LEU 2 CO 0.00 0.00 -0.57 -0.63 -0.00 0.00 0.00 177.39 176.19 3dkq s ILE 3 N 0.00 2.04 -0.19 1.47 1.09 -0.71 -4.68 121.20 120.22 3dkq s ILE 3 Ca 0.00 -1.10 -0.06 0.00 -1.10 0.00 0.00 60.65 58.39 3dkq s ILE 3 Cb 0.00 -1.69 -0.03 0.00 -1.06 0.00 0.00 42.46 39.68 3dkq s ILE 3 CO 0.00 0.58 0.02 -1.61 -0.10 0.00 0.00 174.94 173.83 3dkq s GLU 4 N -0.57 3.76 -0.42 2.79 2.02 -1.26 -0.74 118.70 124.27 3dkq s GLU 4 Ca 0.09 -0.45 -0.06 0.00 0.02 0.00 0.00 54.97 54.57 3dkq s GLU 4 Cb -0.10 -3.13 0.10 0.00 0.10 0.00 0.00 34.13 31.10 3dkq s GLU 4 CO -0.01 0.12 0.24 0.42 0.02 0.00 0.00 175.26 176.06 3dkq s ILE 5 N 0.73 3.67 0.38 -1.63 -1.09 0.33 -4.97 121.20 118.63 3dkq s ILE 5 Ca 0.01 -1.84 -0.17 0.00 -2.23 0.00 0.00 60.65 56.42 3dkq s ILE 5 Cb -0.14 -3.42 -0.10 0.00 -1.58 0.00 0.00 42.46 37.22 3dkq s ILE 5 CO 0.02 -0.65 0.84 -2.16 -1.23 0.00 0.00 174.94 171.76 3dkq s PRO 6 N 1.25 4.08 -1.32 2.79 0.04 -1.26 -0.48 135.00 140.11 3dkq s PRO 6 Ca 0.06 0.86 -0.04 0.00 0.04 0.00 0.00 61.00 61.91 3dkq s PRO 6 Cb -0.24 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.01 3dkq s PRO 6 CO -0.02 0.04 0.97 0.09 0.04 0.00 0.00 177.00 178.12 3dkq n ASN 7 N -0.60 -3.28 -0.16 6.66 3.02 -1.24 -4.90 115.26 114.76 3dkq n ASN 7 Ca 0.05 -0.68 -0.08 0.00 -0.03 0.00 0.00 54.58 53.85 3dkq n ASN 7 Cb 0.54 -4.65 0.07 0.00 -0.61 0.00 0.00 39.78 35.13 3dkq n ASN 7 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3dkq h VAL 8 N -2.12 1.26 -3.99 2.41 2.07 -1.09 -3.42 116.25 111.37 3dkq h VAL 8 Ca -0.59 -1.16 -0.57 0.00 0.82 0.00 0.00 66.70 65.21 3dkq h VAL 8 Cb 1.36 0.90 -0.23 0.00 -1.52 0.00 0.00 31.29 31.80 3dkq h VAL 8 CO 0.56 0.41 -0.83 -0.36 0.02 0.00 0.00 177.57 177.37 3dkq s PHE 9 N -4.93 1.80 0.95 1.57 0.08 -1.04 -4.98 117.98 111.44 3dkq s PHE 9 Ca -0.11 -0.41 -0.14 0.00 0.12 0.00 0.00 56.93 56.39 3dkq s PHE 9 Cb 0.14 -1.01 0.17 0.00 -0.57 0.00 0.00 43.02 41.75 3dkq s PHE 9 CO 0.84 0.18 1.20 -1.54 -0.10 0.00 0.00 175.22 175.80 3dkq s SER 10 N -1.73 3.21 0.16 1.36 1.04 -1.26 -4.54 113.70 111.94 3dkq s SER 10 Ca 0.07 0.66 -0.12 0.00 0.48 0.00 0.00 55.95 57.04 3dkq s SER 10 Cb -0.10 -1.01 0.03 0.00 0.10 0.00 0.00 66.02 65.05 3dkq s SER 10 CO 0.04 -2.71 1.63 0.11 0.98 0.00 0.00 173.24 173.29 3dkq h LYS 11 N -1.61 0.90 -0.27 4.02 1.79 -1.99 -0.33 116.57 119.07 3dkq h LYS 11 Ca -0.47 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 57.74 3dkq h LYS 11 Cb 1.30 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 3dkq h LYS 11 CO 0.51 0.90 0.18 1.96 -1.08 0.00 0.00 179.45 181.92 3dkq h GLN 12 N 0.77 0.35 -0.73 3.15 7.50 -2.00 -1.01 115.11 123.15 3dkq h GLN 12 Ca 0.15 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.29 3dkq h GLN 12 Cb 0.46 -0.08 -0.04 0.00 0.05 0.00 0.00 27.48 27.88 3dkq h GLN 12 CO 0.02 0.23 0.47 0.93 -1.50 0.00 0.00 178.83 178.98 3dkq h GLU 13 N 0.36 0.97 -0.45 1.46 5.08 -1.90 -1.67 114.58 118.44 3dkq h GLU 13 Ca 0.10 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3dkq h GLU 13 Cb -0.03 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 3dkq h GLU 13 CO -0.03 0.66 0.25 0.28 -1.00 0.00 0.00 179.01 179.17 3dkq h VAL 14 N 0.99 1.15 -0.73 3.13 2.07 -0.76 -0.24 116.25 121.87 3dkq h VAL 14 Ca 0.27 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.49 3dkq h VAL 14 Cb -0.09 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.21 3dkq h VAL 14 CO -0.06 0.16 0.40 0.28 0.02 0.00 0.00 177.57 178.37 3dkq h SER 15 N 0.59 0.56 -0.52 0.57 0.02 -0.92 0.24 113.55 114.10 3dkq h SER 15 Ca 0.16 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 3dkq h SER 15 Cb 0.03 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 3dkq h SER 15 CO -0.03 0.34 0.10 -0.74 -1.14 0.00 0.00 176.83 175.37 3dkq h HIS 16 N 0.70 0.94 -0.18 3.45 6.17 -0.85 0.20 115.15 125.57 3dkq h HIS 16 Ca 0.34 -0.11 -0.04 0.00 0.71 0.00 0.00 60.37 61.28 3dkq h HIS 16 Cb 0.29 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 29.95 3dkq h HIS 16 CO -0.08 0.80 -0.03 -0.07 0.71 0.00 0.00 177.93 179.25 3dkq h LEU 17 N 0.85 0.35 -0.94 0.26 3.38 -0.46 -2.94 115.31 115.82 3dkq h LEU 17 Ca 0.18 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 3dkq h LEU 17 Cb 0.36 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3dkq h LEU 17 CO 0.01 0.62 0.20 0.03 0.09 0.00 0.00 178.44 179.38 3dkq h ARG 18 N 0.07 0.97 -0.41 1.13 2.47 -0.75 -0.16 114.38 117.69 3dkq h ARG 18 Ca 0.05 -0.19 0.05 0.00 -1.26 0.00 0.00 59.98 58.62 3dkq h ARG 18 Cb 0.46 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.59 3dkq h ARG 18 CO 0.02 0.84 0.15 1.49 0.56 0.00 0.00 179.97 183.02 3dkq h GLU 19 N 0.94 0.31 -0.19 0.04 4.81 -0.62 0.12 114.58 119.99 3dkq h GLU 19 Ca 0.21 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 3dkq h GLU 19 Cb 0.27 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 3dkq h GLU 19 CO -0.01 0.20 -0.22 1.96 -0.73 0.00 0.00 179.01 180.22 3dkq h GLN 20 N 0.31 0.49 -0.29 1.92 4.20 -1.31 -3.27 115.11 117.16 3dkq h GLN 20 Ca 0.19 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 3dkq h GLN 20 Cb 0.17 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3dkq h GLN 20 CO -0.19 0.85 0.07 -0.07 -0.67 0.00 0.00 178.83 178.82 3dkq h LEU 21 N 0.15 0.45 -2.39 1.46 3.38 -0.83 -3.13 115.31 114.39 3dkq h LEU 21 Ca 0.03 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3dkq h LEU 21 Cb 0.77 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3dkq h LEU 21 CO 0.05 0.56 0.04 0.44 0.09 0.00 0.00 178.44 179.63 3dkq h ASP 22 N 0.31 0.00 0.79 -0.43 5.19 -0.85 -1.96 116.42 119.47 3dkq h ASP 22 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3dkq h ASP 22 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 3dkq h ASP 22 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 3dkq n ALA 23 N -2.34 2.17 -1.94 3.45 0.00 -1.18 -4.91 120.51 115.76 3dkq n ALA 23 Ca -0.02 -0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.08 3dkq n ALA 23 Cb 0.13 -1.41 0.06 0.00 0.00 0.00 0.00 19.45 18.24 3dkq n ALA 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dkq s ARG 24 N -2.93 2.29 -0.41 0.00 1.81 -0.74 -5.05 118.95 113.93 3dkq s ARG 24 Ca 0.14 -0.40 -0.23 0.00 -1.72 0.00 0.00 55.73 53.52 3dkq s ARG 24 Cb 0.17 -2.26 0.02 0.00 -0.45 0.00 0.00 34.95 32.43 3dkq s ARG 24 CO 0.44 -1.09 0.80 0.50 -0.68 0.00 0.00 175.30 175.27 3dkq s ARG 25 N -5.11 3.57 -0.23 3.54 6.06 -1.26 -5.03 118.95 120.48 3dkq s ARG 25 Ca 0.59 0.11 -0.18 0.00 -2.50 0.00 0.00 55.73 53.75 3dkq s ARG 25 Cb -0.11 -3.88 -0.03 0.00 0.06 0.00 0.00 34.95 30.99 3dkq s ARG 25 CO 0.43 -1.02 0.53 -1.58 -2.50 0.00 0.00 175.30 171.17 3dkq s TRP 26 N 3.27 3.31 0.03 5.12 0.52 -1.26 -4.55 118.94 125.39 3dkq s TRP 26 Ca 0.31 0.72 -0.08 0.00 0.02 0.00 0.00 56.10 57.07 3dkq s TRP 26 Cb -0.12 -2.71 -0.05 0.00 -1.15 0.00 0.00 33.47 29.43 3dkq s TRP 26 CO 0.21 -0.21 0.32 0.42 0.02 0.00 0.00 176.95 177.70 3dkq s ILE 27 N 2.05 5.22 -1.36 2.03 1.09 0.96 -4.87 121.20 126.32 3dkq s ILE 27 Ca 0.23 0.28 -0.13 0.00 -1.10 0.00 0.00 60.65 59.93 3dkq s ILE 27 Cb -0.16 -3.60 0.09 0.00 -1.06 0.00 0.00 42.46 37.74 3dkq s ILE 27 CO 0.09 0.35 1.97 0.47 -0.10 0.00 0.00 174.94 177.72 3dkq n ASP 28 N 1.07 4.53 -3.27 3.58 8.00 -1.26 -1.58 116.55 127.61 3dkq n ASP 28 Ca -0.10 -2.94 -0.29 0.00 0.71 0.00 0.00 54.79 52.16 3dkq n ASP 28 Cb 0.53 -1.61 -0.05 0.00 -0.02 0.00 0.00 41.12 39.96 3dkq n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dkq n GLY 29 N 3.94 5.30 3.59 0.44 0.00 -1.26 -5.00 105.19 112.20 3dkq n GLY 29 Ca 0.47 -2.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 3dkq n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dkq s ARG 42 N -3.08 3.65 0.00 1.61 0.52 -1.09 -4.35 118.95 116.20 3dkq s ARG 42 Ca 0.43 0.42 0.00 0.00 -0.52 0.00 0.00 55.73 56.06 3dkq s ARG 42 Cb 0.20 -3.93 0.00 0.00 0.52 0.00 0.00 34.95 31.74 3dkq s ARG 42 CO -0.07 -1.40 0.00 0.27 0.02 0.00 0.00 175.30 174.12 3dkq n ASN 43 N 7.79 0.00 -4.21 0.23 6.94 -1.26 -1.02 115.26 123.73 3dkq n ASN 43 Ca 0.10 -0.43 -0.12 0.00 -0.02 0.00 0.00 54.58 54.11 3dkq n ASN 43 Cb 0.49 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.81 3dkq n ASN 43 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3dkq s GLN 44 N -0.30 0.97 0.20 -3.83 -0.21 -0.44 -4.67 119.66 111.38 3dkq s GLN 44 Ca 0.00 -1.42 -0.22 0.00 0.02 0.00 0.00 55.36 53.74 3dkq s GLN 44 Cb 0.00 -0.35 0.05 0.00 1.00 0.00 0.00 33.01 33.71 3dkq s GLN 44 CO 0.00 -0.01 0.64 -0.65 -2.12 0.00 0.00 175.29 173.15 3dkq s GLN 45 N -3.82 1.46 0.20 2.91 1.11 -0.61 -1.21 119.66 119.69 3dkq s GLN 45 Ca 0.16 -0.66 -0.10 0.00 0.01 0.00 0.00 55.36 54.78 3dkq s GLN 45 Cb 0.05 0.60 -0.07 0.00 -1.01 0.00 0.00 33.01 32.57 3dkq s GLN 45 CO -0.01 -0.65 0.52 -0.51 0.01 0.00 0.00 175.29 174.65 3dkq s LEU 46 N -2.81 4.21 0.39 2.90 1.43 -0.84 -0.02 118.68 123.94 3dkq s LEU 46 Ca 0.05 0.90 -0.27 0.00 -1.03 0.00 0.00 54.13 53.77 3dkq s LEU 46 Cb -0.03 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 3dkq s LEU 46 CO -0.06 -0.02 1.49 -0.62 0.23 0.00 0.00 176.35 177.37 3dkq s ASP 47 N -2.24 6.22 0.41 2.29 2.15 -1.26 -4.68 116.67 119.56 3dkq s ASP 47 Ca 0.44 3.05 0.12 0.00 0.43 0.00 0.00 52.55 56.60 3dkq s ASP 47 Cb -0.12 -2.67 0.97 0.00 -0.30 0.00 0.00 42.92 40.80 3dkq s ASP 47 CO 0.21 -0.95 1.95 0.07 -0.17 0.00 0.00 175.17 176.28 3dkq h LYS 48 N 2.84 0.48 -0.82 4.34 2.10 -1.98 -2.17 116.57 121.37 3dkq h LYS 48 Ca -0.51 -0.03 -0.23 0.00 -2.00 0.00 0.00 60.65 57.88 3dkq h LYS 48 Cb 1.25 -0.11 -0.14 0.00 -0.90 0.00 0.00 32.23 32.33 3dkq h LYS 48 CO 0.63 0.31 0.29 -0.25 -2.00 0.00 0.00 179.45 178.44 3dkq n ASP 49 N -4.48 4.41 -4.69 7.07 8.00 -1.26 -4.58 116.55 121.02 3dkq n ASP 49 Ca 0.11 -3.12 -0.42 0.00 0.71 0.00 0.00 54.79 52.07 3dkq n ASP 49 Cb 0.39 -0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 3dkq n ASP 49 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dkq s ASP 50 N -0.85 7.18 0.34 -2.24 -1.08 -0.82 -4.95 116.67 114.25 3dkq s ASP 50 Ca 0.49 1.66 0.04 0.00 -0.52 0.00 0.00 52.55 54.22 3dkq s ASP 50 Cb 0.39 -2.56 0.62 0.00 -1.46 0.00 0.00 42.92 39.92 3dkq s ASP 50 CO 0.12 -0.49 1.90 1.55 0.52 0.00 0.00 175.17 178.77 3dkq h PRO 51 N 7.20 0.56 -0.30 4.34 0.13 -1.91 0.10 132.00 142.13 3dkq h PRO 51 Ca -0.33 -0.10 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 3dkq h PRO 51 Cb 1.16 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3dkq h PRO 51 CO 0.86 0.54 -0.43 0.28 -0.23 0.00 0.00 178.00 179.02 3dkq h VAL 52 N 0.55 1.29 -0.35 1.56 2.07 -1.98 -1.22 116.25 118.17 3dkq h VAL 52 Ca 0.12 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 3dkq h VAL 52 Cb 0.25 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3dkq h VAL 52 CO 0.00 0.52 0.09 0.00 0.02 0.00 0.00 177.57 178.20 3dkq h ALA 53 N 0.90 0.46 -0.73 1.67 0.00 -1.69 -0.61 119.26 119.26 3dkq h ALA 53 Ca 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3dkq h ALA 53 Cb 0.99 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3dkq h ALA 53 CO 0.09 0.12 0.40 0.28 0.00 0.00 0.00 179.25 180.14 3dkq h VAL 54 N 0.41 1.22 -0.17 0.00 2.07 -0.79 0.85 116.25 119.83 3dkq h VAL 54 Ca 0.11 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 3dkq h VAL 54 Cb 0.30 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3dkq h VAL 54 CO 0.00 0.25 -0.12 0.00 0.02 0.00 0.00 177.57 177.72 3dkq h ALA 55 N 1.20 0.24 -0.25 1.67 0.00 -1.09 -1.27 119.26 119.76 3dkq h ALA 55 Ca 0.26 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3dkq h ALA 55 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3dkq h ALA 55 CO -0.04 0.09 -0.30 -0.07 0.00 0.00 0.00 179.25 178.93 3dkq h LEU 56 N 0.03 0.52 -0.62 0.00 3.38 -1.05 -1.41 115.31 116.17 3dkq h LEU 56 Ca 0.03 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.87 3dkq h LEU 56 Cb 0.62 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3dkq h LEU 56 CO 0.03 0.80 0.32 1.23 0.09 0.00 0.00 178.44 180.91 3dkq h GLY 57 N 1.04 0.89 1.12 0.83 0.00 -0.77 0.57 103.07 106.76 3dkq h GLY 57 Ca 0.06 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 3dkq h GLY 57 CO 0.06 0.11 0.12 -1.61 0.00 0.00 0.00 176.54 175.22 3dkq h GLN 58 N 0.59 1.08 -0.69 4.80 5.75 -0.84 -3.04 115.11 122.76 3dkq h GLN 58 Ca 0.28 -0.27 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 3dkq h GLN 58 Cb 0.21 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 3dkq h GLN 58 CO -0.20 0.98 0.26 1.96 -2.65 0.00 0.00 178.83 179.18 3dkq h GLN 59 N 1.01 1.03 -0.06 1.69 4.20 -0.49 -1.19 115.11 121.31 3dkq h GLN 59 Ca 0.20 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3dkq h GLN 59 Cb 0.41 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3dkq h GLN 59 CO 0.01 0.86 0.00 -0.89 -0.67 0.00 0.00 178.83 178.14 3dkq n ILE 60 N -4.37 0.00 0.00 2.54 5.41 0.12 -1.38 119.36 121.68 3dkq n ILE 60 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 3dkq n ILE 60 Cb 0.18 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 3dkq n ILE 60 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3dkq n ASP 62 N 0.51 0.00 -0.28 4.38 8.00 -0.45 -1.29 116.55 127.42 3dkq n ASP 62 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 3dkq n ASP 62 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 3dkq n ASP 62 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3dkq h ARG 63 N 0.00 1.09 -0.27 -1.24 9.65 -1.49 -1.87 114.38 120.25 3dkq h ARG 63 Ca 0.00 -0.15 -0.13 0.00 -1.10 0.00 0.00 59.98 58.61 3dkq h ARG 63 Cb 0.00 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 28.37 3dkq h ARG 63 CO 0.00 0.83 -0.32 -0.07 2.80 0.00 0.00 179.97 183.20 3dkq h LEU 64 N 1.07 0.76 -1.84 3.80 3.38 -1.45 -2.85 115.31 118.17 3dkq h LEU 64 Ca 0.27 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3dkq h LEU 64 Cb 0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3dkq h LEU 64 CO -0.04 1.09 -0.11 -0.07 0.09 0.00 0.00 178.44 179.41 3dkq h LEU 65 N 0.43 0.00 -0.76 1.67 3.38 -1.80 -1.33 115.31 116.89 3dkq h LEU 65 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dkq h LEU 65 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3dkq h LEU 65 CO 0.08 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.72 3dkq n ALA 66 N -2.23 2.55 -3.18 1.53 0.00 -0.71 -4.79 120.51 113.69 3dkq n ALA 66 Ca -0.01 -0.40 -0.40 0.00 0.00 0.00 0.00 53.44 52.63 3dkq n ALA 66 Cb 0.26 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 3dkq n ALA 66 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3dkq s HIS 67 N -1.87 3.31 0.36 0.00 5.04 -0.50 -5.00 115.29 116.63 3dkq s HIS 67 Ca 0.32 -1.39 0.09 0.00 -1.54 0.00 0.00 55.06 52.54 3dkq s HIS 67 Cb 0.16 -2.80 0.83 0.00 0.04 0.00 0.00 32.58 30.81 3dkq s HIS 67 CO 0.26 -0.80 1.86 -1.35 -2.34 0.00 0.00 174.74 172.37 3dkq h PRO 68 N 8.40 0.66 -0.44 2.88 0.11 -1.86 -0.84 132.00 140.91 3dkq h PRO 68 Ca -0.23 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.69 3dkq h PRO 68 Cb 1.09 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3dkq h PRO 68 CO 0.73 0.44 -0.28 0.37 -0.21 0.00 0.00 178.00 179.05 3dkq h GLN 69 N 0.68 0.96 -0.20 1.05 4.15 -1.94 -1.47 115.11 118.34 3dkq h GLN 69 Ca 0.45 -0.44 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 3dkq h GLN 69 Cb 0.75 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 3dkq h GLN 69 CO -0.21 1.11 -0.08 0.35 -1.93 0.00 0.00 178.83 178.07 3dkq h PHE 70 N 0.81 0.45 -0.68 3.99 3.57 -1.60 -1.00 116.94 122.48 3dkq h PHE 70 Ca 0.09 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.51 3dkq h PHE 70 Cb 0.86 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 3dkq h PHE 70 CO 0.05 0.68 0.43 0.28 -2.23 0.00 0.00 178.31 177.52 3dkq h VAL 71 N 0.10 1.10 -0.42 1.41 2.07 -1.18 0.07 116.25 119.40 3dkq h VAL 71 Ca 0.05 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 3dkq h VAL 71 Cb 0.55 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3dkq h VAL 71 CO 0.02 0.15 -0.14 -1.28 0.02 0.00 0.00 177.57 176.35 3dkq h SER 72 N 0.84 0.84 -0.39 0.57 0.87 -1.24 0.34 113.55 115.38 3dkq h SER 72 Ca 0.27 -0.38 -0.11 0.00 -1.23 0.00 0.00 61.79 60.34 3dkq h SER 72 Cb 0.01 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 3dkq h SER 72 CO -0.10 1.03 -0.20 0.00 -0.53 0.00 0.00 176.83 177.02 3dkq h ALA 73 N 0.84 0.55 0.00 6.23 0.00 -0.86 -3.35 119.26 122.67 3dkq h ALA 73 Ca 0.10 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 3dkq h ALA 73 Cb 0.68 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3dkq h ALA 73 CO 0.05 0.51 -1.95 0.00 0.00 0.00 0.00 179.25 177.86 3dkq n ALA 74 N -2.49 2.17 -3.99 0.00 0.00 -0.02 -4.88 120.51 111.30 3dkq n ALA 74 Ca -0.02 -0.78 -0.38 0.00 0.00 0.00 0.00 53.44 52.26 3dkq n ALA 74 Cb 0.43 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3dkq n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dkq n LEU 75 N -2.58 -1.26 -4.75 0.00 4.77 0.12 -4.56 117.00 108.74 3dkq n LEU 75 Ca -0.15 -1.19 -0.42 0.00 -0.03 0.00 0.00 56.01 54.23 3dkq n LEU 75 Cb 0.82 -1.89 -0.02 0.00 -2.33 0.00 0.00 43.42 40.01 3dkq n LEU 75 CO 0.44 0.63 1.26 -2.16 -1.33 0.00 0.00 177.39 176.23 3dkq s PRO 76 N -6.95 4.11 -0.21 3.23 0.04 -1.26 -4.47 135.00 129.50 3dkq s PRO 76 Ca 0.36 2.59 -0.10 0.00 0.04 0.00 0.00 61.00 63.89 3dkq s PRO 76 Cb -0.17 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.25 3dkq s PRO 76 CO 0.94 -0.65 -0.27 -0.11 0.04 0.00 0.00 177.00 176.95 3dkq n LEU 77 N 2.30 1.57 -3.75 -3.56 7.94 0.31 -4.96 117.00 116.85 3dkq n LEU 77 Ca 0.09 0.24 -0.12 0.00 -1.11 0.00 0.00 56.01 55.11 3dkq n LEU 77 Cb 0.37 -0.63 -0.12 0.00 0.53 0.00 0.00 43.42 43.57 3dkq n LEU 77 CO 0.64 0.46 -0.11 -1.58 -1.11 0.00 0.00 177.39 175.69 3dkq s GLN 78 N -2.39 0.24 0.04 1.96 0.74 -1.03 -4.98 119.66 114.24 3dkq s GLN 78 Ca -0.30 0.46 -0.10 0.00 0.05 0.00 0.00 55.36 55.47 3dkq s GLN 78 Cb 0.11 -0.02 -0.05 0.00 1.10 0.00 0.00 33.01 34.15 3dkq s GLN 78 CO 0.38 -0.11 0.36 -0.06 -0.55 0.00 0.00 175.29 175.31 3dkq s PHE 79 N 0.82 3.60 -0.27 1.67 0.08 -1.26 -0.30 117.98 122.32 3dkq s PHE 79 Ca -0.06 0.76 -0.10 0.00 0.12 0.00 0.00 56.93 57.66 3dkq s PHE 79 Cb -0.07 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 3dkq s PHE 79 CO -0.05 0.57 0.14 1.52 -0.10 0.00 0.00 175.22 177.30 3dkq s TYR 80 N -1.32 3.16 0.00 0.36 -0.00 -0.27 -4.97 117.35 114.32 3dkq s TYR 80 Ca 0.30 -0.15 -0.32 0.00 -0.00 0.00 0.00 57.07 56.90 3dkq s TYR 80 Cb -0.14 -2.33 -0.16 0.00 -0.00 0.00 0.00 41.96 39.33 3dkq s TYR 80 CO 0.16 -0.26 0.85 -2.30 -0.00 0.00 0.00 175.55 174.00 3dkq n PRO 81 N 5.00 0.00 -1.86 -3.49 -0.02 -1.26 -3.86 135.00 129.51 3dkq n PRO 81 Ca -0.15 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.92 3dkq n PRO 81 Cb 0.51 -1.19 -0.00 0.00 -0.02 0.00 0.00 33.50 32.80 3dkq n PRO 81 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3dkq s PRO 82 N -0.01 4.15 0.08 0.52 0.02 -1.26 -4.85 135.00 133.64 3dkq s PRO 82 Ca 0.72 2.51 0.04 0.00 0.02 0.00 0.00 61.00 64.29 3dkq s PRO 82 Cb -1.01 -2.98 -0.04 0.00 0.02 0.00 0.00 34.50 30.49 3dkq s PRO 82 CO 0.45 -0.47 0.04 -0.51 -0.33 0.00 0.00 177.00 176.18 3dkq s LEU 83 N -2.05 3.62 -0.21 -5.54 1.02 0.64 -4.78 118.68 111.39 3dkq s LEU 83 Ca 0.52 -0.09 -0.04 0.00 0.02 0.00 0.00 54.13 54.54 3dkq s LEU 83 Cb -0.45 -2.31 -0.02 0.00 0.02 0.00 0.00 46.19 43.43 3dkq s LEU 83 CO 0.61 0.18 -0.02 -0.36 0.02 0.00 0.00 176.35 176.79 3dkq s PHE 84 N -1.33 2.99 0.34 0.29 0.40 -1.26 0.32 117.98 119.73 3dkq s PHE 84 Ca 0.27 -0.67 0.10 0.00 -0.60 0.00 0.00 56.93 56.03 3dkq s PHE 84 Cb -0.12 -2.10 -0.06 0.00 0.51 0.00 0.00 43.02 41.25 3dkq s PHE 84 CO 0.19 -0.38 -0.10 0.54 0.70 0.00 0.00 175.22 176.17 3dkq s ASN 85 N 1.23 3.75 -0.11 1.36 2.20 -0.70 -1.99 114.94 120.68 3dkq s ASN 85 Ca 0.03 -1.17 -0.09 0.00 -0.94 0.00 0.00 52.86 50.69 3dkq s ASN 85 Cb -0.14 -0.36 0.03 0.00 -2.00 0.00 0.00 41.25 38.78 3dkq s ASN 85 CO 0.00 -0.19 0.28 -0.60 -2.94 0.00 0.00 177.10 173.66 3dkq s ARG 86 N -3.61 0.31 -0.08 3.55 3.52 -0.35 -1.86 118.95 120.44 3dkq s ARG 86 Ca 0.32 0.44 0.02 0.00 -0.13 0.00 0.00 55.73 56.38 3dkq s ARG 86 Cb 0.02 0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.52 3dkq s ARG 86 CO 0.17 -0.07 -0.13 0.71 -0.81 0.00 0.00 175.30 175.17 3dkq s TYR 87 N 0.41 1.61 0.23 5.12 1.51 -0.74 -1.32 117.35 124.16 3dkq s TYR 87 Ca -0.02 -0.64 -0.20 0.00 -1.01 0.00 0.00 57.07 55.20 3dkq s TYR 87 Cb -0.04 -1.18 0.03 0.00 -0.11 0.00 0.00 41.96 40.66 3dkq s TYR 87 CO -0.02 -0.33 0.61 1.14 -1.11 0.00 0.00 175.55 175.84 3dkq s GLN 88 N 0.77 1.54 -1.31 -0.62 -2.07 -1.26 -1.42 119.66 115.28 3dkq s GLN 88 Ca -0.12 -0.88 -0.17 0.00 -1.82 0.00 0.00 55.36 52.37 3dkq s GLN 88 Cb -0.16 0.57 0.01 0.00 -1.09 0.00 0.00 33.01 32.34 3dkq s GLN 88 CO 0.02 -0.68 0.50 0.41 -1.32 0.00 0.00 175.29 174.22 3dkq n GLY 89 N -0.40 -0.58 2.12 2.60 0.00 -0.96 -2.12 105.19 105.85 3dkq n GLY 89 Ca -0.08 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3dkq n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkq n GLY 90 N -2.10 1.05 3.72 -0.02 0.00 0.56 -5.01 105.19 103.40 3dkq n GLY 90 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3dkq n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dkq s GLU 91 N -0.29 4.31 0.31 1.61 2.02 -0.90 -4.67 118.70 121.07 3dkq s GLU 91 Ca 0.00 2.16 0.00 0.00 0.02 0.00 0.00 54.97 57.15 3dkq s GLU 91 Cb 0.00 -3.20 -0.02 0.00 0.10 0.00 0.00 34.13 31.01 3dkq s GLU 91 CO 0.00 -0.43 0.35 -0.08 0.02 0.00 0.00 175.26 175.12 3dkq s THR 92 N 0.76 0.00 -0.17 3.63 -1.32 -0.19 -2.37 115.64 115.99 3dkq s THR 92 Ca 0.63 -1.78 -0.05 0.00 -1.21 0.00 0.00 61.69 59.28 3dkq s THR 92 Cb -0.39 -2.53 0.06 0.00 -1.51 0.00 0.00 72.50 68.13 3dkq s THR 92 CO 0.34 0.00 0.11 0.12 -2.21 0.00 0.00 174.62 172.97 3dkq s PHE 93 N -3.45 0.13 1.00 9.09 2.19 -0.40 -2.69 117.98 123.84 3dkq s PHE 93 Ca 0.35 -0.23 -0.12 0.00 0.33 0.00 0.00 56.93 57.26 3dkq s PHE 93 Cb 0.02 -0.64 0.19 0.00 -1.31 0.00 0.00 43.02 41.27 3dkq s PHE 93 CO 0.20 -0.52 1.08 0.20 1.83 0.00 0.00 175.22 178.02 3dkq s GLY 94 N 2.17 1.61 0.18 13.12 0.00 -1.26 -1.10 107.32 122.03 3dkq s GLY 94 Ca 0.03 0.05 -0.33 0.00 0.00 0.00 0.00 44.72 44.47 3dkq s GLY 94 CO -0.09 0.61 1.43 -1.72 0.00 0.00 0.00 173.10 173.33 3dkq n TYR 95 N -4.33 1.99 -3.52 1.90 4.01 -1.25 -4.54 117.16 111.43 3dkq n TYR 95 Ca 0.07 0.44 -0.08 0.00 -0.16 0.00 0.00 57.90 58.16 3dkq n TYR 95 Cb 0.54 -2.45 -0.02 0.00 -0.31 0.00 0.00 39.34 37.10 3dkq n TYR 95 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 3dkq s HIS 96 N 0.38 -0.32 -0.06 -0.72 -3.43 -0.59 -4.91 115.29 105.64 3dkq s HIS 96 Ca 0.75 0.19 -0.02 0.00 -0.80 0.00 0.00 55.06 55.19 3dkq s HIS 96 Cb -0.74 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 30.92 3dkq s HIS 96 CO 0.45 -0.53 0.03 0.42 -2.00 0.00 0.00 174.74 173.11 3dkq s ILE 97 N -3.07 4.51 0.00 -5.38 1.01 -1.26 -0.73 121.20 116.28 3dkq s ILE 97 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.42 3dkq s ILE 97 Cb -0.01 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.51 3dkq s ILE 97 CO -0.08 0.52 0.00 0.47 0.00 0.00 0.00 174.94 175.85 3dkq n ASP 98 N 1.81 0.00 -4.66 3.58 8.00 -1.09 -5.05 116.55 119.13 3dkq n ASP 98 Ca -0.17 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.90 3dkq n ASP 98 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.61 3dkq n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dkq s ARG 110 N 0.00 4.25 -0.34 -1.24 1.70 -1.26 -4.83 118.95 117.24 3dkq s ARG 110 Ca 0.00 1.63 -0.25 0.00 -0.47 0.00 0.00 55.73 56.64 3dkq s ARG 110 Cb 0.00 -3.72 0.01 0.00 -0.57 0.00 0.00 34.95 30.66 3dkq s ARG 110 CO 0.00 -0.66 0.85 0.95 -1.08 0.00 0.00 175.30 175.36 3dkq s THR 111 N 3.30 4.69 -0.16 4.99 -4.23 -1.26 -4.11 115.64 118.87 3dkq s THR 111 Ca 0.54 1.18 -0.14 0.00 -1.18 0.00 0.00 61.69 62.08 3dkq s THR 111 Cb -0.21 -4.24 -0.23 0.00 1.34 0.00 0.00 72.50 69.16 3dkq s THR 111 CO 0.14 -0.39 0.30 0.44 -0.54 0.00 0.00 174.62 174.57 3dkq h ASP 112 N 8.29 0.21 -3.76 3.99 3.32 -1.76 -3.43 116.42 123.28 3dkq h ASP 112 Ca -0.24 -0.73 -0.55 0.00 0.02 0.00 0.00 57.03 55.54 3dkq h ASP 112 Cb 1.09 -0.07 -0.19 0.00 0.22 0.00 0.00 39.33 40.37 3dkq h ASP 112 CO 0.93 1.67 -0.80 -0.76 -1.72 0.00 0.00 179.24 178.56 3dkq s LEU 113 N -7.47 2.38 0.10 1.55 1.43 -0.95 -2.01 118.68 113.71 3dkq s LEU 113 Ca -0.25 -0.80 0.09 0.00 -1.03 0.00 0.00 54.13 52.14 3dkq s LEU 113 Cb 0.06 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.36 3dkq s LEU 113 CO 0.68 0.02 -0.22 -0.44 0.23 0.00 0.00 176.35 176.62 3dkq s SER 114 N -2.37 2.70 -0.02 2.29 0.01 0.74 -1.75 113.70 115.29 3dkq s SER 114 Ca 0.13 -0.67 -0.08 0.00 1.31 0.00 0.00 55.95 56.64 3dkq s SER 114 Cb -0.08 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 65.99 3dkq s SER 114 CO 0.06 0.10 0.16 0.00 0.41 0.00 0.00 173.24 173.98 3dkq s ALA 115 N -1.07 -0.40 -0.11 1.44 0.00 -1.26 -0.86 121.76 119.49 3dkq s ALA 115 Ca 0.08 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.15 3dkq s ALA 115 Cb -0.10 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.02 3dkq s ALA 115 CO 0.04 -0.17 -0.13 0.99 0.00 0.00 0.00 175.76 176.49 3dkq s THR 116 N -0.92 1.38 -0.29 0.00 2.01 -0.75 -4.30 115.64 112.78 3dkq s THR 116 Ca -0.10 -0.55 -0.12 0.00 0.31 0.00 0.00 61.69 61.23 3dkq s THR 116 Cb -0.05 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 3dkq s THR 116 CO 0.01 0.42 0.22 -0.22 -0.69 0.00 0.00 174.62 174.36 3dkq s LEU 117 N 1.20 4.10 0.00 4.42 2.96 0.44 -1.46 118.68 130.33 3dkq s LEU 117 Ca -0.03 -0.04 -0.30 0.00 -0.22 0.00 0.00 54.13 53.54 3dkq s LEU 117 Cb -0.14 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 3dkq s LEU 117 CO -0.04 -0.09 1.03 -0.36 -1.32 0.00 0.00 176.35 175.57 3dkq s PHE 118 N 1.79 3.58 -0.09 5.38 0.40 -0.37 -1.05 117.98 127.63 3dkq s PHE 118 Ca 0.08 1.59 0.09 0.00 -0.60 0.00 0.00 56.93 58.09 3dkq s PHE 118 Cb -0.16 -3.20 0.15 0.00 0.51 0.00 0.00 43.02 40.32 3dkq s PHE 118 CO 0.11 -0.33 1.08 1.28 0.70 0.00 0.00 175.22 178.06 3dkq n LEU 119 N 4.06 2.23 -4.00 -0.37 4.77 -0.17 -0.18 117.00 123.33 3dkq n LEU 119 Ca 0.07 -2.50 -0.13 0.00 -0.03 0.00 0.00 56.01 53.42 3dkq n LEU 119 Cb 0.50 -0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 41.25 3dkq n LEU 119 CO 0.53 0.60 -0.39 -0.44 -1.33 0.00 0.00 177.39 176.36 3dkq s SER 120 N -1.83 0.65 0.29 -1.43 0.01 -1.14 -4.67 113.70 105.58 3dkq s SER 120 Ca 0.16 -0.35 -0.29 0.00 1.31 0.00 0.00 55.95 56.77 3dkq s SER 120 Cb 0.13 0.00 -0.10 0.00 0.21 0.00 0.00 66.02 66.27 3dkq s SER 120 CO 0.02 -0.11 1.13 -1.61 0.41 0.00 0.00 173.24 173.08 3dkq s GLU 121 N -0.96 4.59 0.53 12.44 0.41 -1.26 -3.86 118.70 130.58 3dkq s GLU 121 Ca -0.06 1.86 0.22 0.00 -0.41 0.00 0.00 54.97 56.59 3dkq s GLU 121 Cb -0.07 -3.16 1.43 0.00 -1.78 0.00 0.00 34.13 30.55 3dkq s GLU 121 CO 0.00 0.15 2.13 -1.00 -0.49 0.00 0.00 175.26 176.05 3dkq h PRO 122 N 3.73 0.00 0.00 0.39 0.13 -1.89 -1.66 132.00 132.70 3dkq h PRO 122 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 3dkq h PRO 122 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3dkq h PRO 122 CO 0.67 0.07 -0.21 0.93 -0.23 0.00 0.00 178.00 179.22 3dkq h GLU 123 N 0.00 0.00 -0.09 0.86 3.07 -1.94 -3.24 114.58 113.24 3dkq h GLU 123 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dkq h GLU 123 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3dkq h GLU 123 CO 0.01 0.21 0.00 0.09 -1.40 0.00 0.00 179.01 177.92 3dkq n ASN 124 N -3.30 0.69 -3.83 1.42 5.03 -0.62 -4.82 115.26 109.82 3dkq n ASN 124 Ca 0.01 -1.71 -0.12 0.00 0.87 0.00 0.00 54.58 53.63 3dkq n ASN 124 Cb 0.47 -0.06 -0.10 0.00 -1.02 0.00 0.00 39.78 39.06 3dkq n ASN 124 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 3dkq s TYR 125 N -1.88 -0.07 -0.16 3.10 1.13 -1.22 -3.90 117.35 114.35 3dkq s TYR 125 Ca 0.22 0.12 -0.13 0.00 -1.41 0.00 0.00 57.07 55.87 3dkq s TYR 125 Cb 0.11 0.01 -0.05 0.00 -1.10 0.00 0.00 41.96 40.94 3dkq s TYR 125 CO 0.17 -0.27 0.27 -1.14 -2.51 0.00 0.00 175.55 172.07 3dkq s GLN 126 N -1.04 4.19 3.29 -3.49 0.74 -0.19 -4.93 119.66 118.23 3dkq s GLN 126 Ca -0.11 0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.36 3dkq s GLN 126 Cb -0.06 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.65 3dkq s GLN 126 CO 0.02 0.29 0.00 0.41 -0.55 0.00 0.00 175.29 175.46 3dkq n GLY 127 N 3.27 -0.16 2.54 2.59 0.00 -1.26 -1.63 105.19 110.54 3dkq n GLY 127 Ca -0.13 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 3dkq n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkq n GLY 128 N 0.00 -0.14 3.73 -0.02 0.00 -0.80 -4.86 105.19 103.10 3dkq n GLY 128 Ca 0.00 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 3dkq n GLY 128 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dkq s GLU 129 N -5.21 4.49 -0.57 1.61 2.02 -1.26 -4.73 118.70 115.06 3dkq s GLU 129 Ca 0.17 1.07 -0.24 0.00 0.02 0.00 0.00 54.97 55.98 3dkq s GLU 129 Cb -0.07 -3.40 0.04 0.00 0.10 0.00 0.00 34.13 30.80 3dkq s GLU 129 CO 0.21 0.19 0.97 -1.17 0.02 0.00 0.00 175.26 175.47 3dkq s LEU 130 N 0.29 4.07 -0.25 1.80 2.96 -0.19 -1.24 118.68 126.13 3dkq s LEU 130 Ca 0.40 -0.40 -0.12 0.00 -0.22 0.00 0.00 54.13 53.79 3dkq s LEU 130 Cb -0.20 -2.79 -0.05 0.00 0.50 0.00 0.00 46.19 43.65 3dkq s LEU 130 CO 0.22 -1.28 0.25 -0.69 -1.32 0.00 0.00 176.35 173.53 3dkq s VAL 131 N 4.07 5.29 -0.11 1.68 1.01 0.18 -1.02 120.40 131.50 3dkq s VAL 131 Ca 0.30 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.64 3dkq s VAL 131 Cb -0.13 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.69 3dkq s VAL 131 CO 0.18 0.28 -0.15 -0.63 0.00 0.00 0.00 175.10 174.78 3dkq s ILE 132 N 1.41 1.50 0.36 2.22 1.01 -0.36 -1.04 121.20 126.31 3dkq s ILE 132 Ca 0.11 -0.64 -0.25 0.00 0.00 0.00 0.00 60.65 59.87 3dkq s ILE 132 Cb -0.15 -1.38 -0.09 0.00 0.01 0.00 0.00 42.46 40.85 3dkq s ILE 132 CO 0.07 0.44 1.02 -1.58 0.00 0.00 0.00 174.94 174.89 3dkq s GLN 133 N 1.08 4.35 0.33 2.79 0.74 0.40 -1.31 119.66 128.04 3dkq s GLN 133 Ca -0.05 1.46 0.03 0.00 0.05 0.00 0.00 55.36 56.86 3dkq s GLN 133 Cb -0.15 -2.67 -0.06 0.00 1.10 0.00 0.00 33.01 31.24 3dkq s GLN 133 CO -0.03 0.04 0.07 -0.51 -0.55 0.00 0.00 175.29 174.31 3dkq s ASP 134 N -1.54 2.34 0.21 6.67 1.01 0.19 -4.53 116.67 121.02 3dkq s ASP 134 Ca 0.54 -1.42 -0.10 0.00 0.71 0.00 0.00 52.55 52.28 3dkq s ASP 134 Cb -0.21 0.03 0.17 0.00 1.01 0.00 0.00 42.92 43.92 3dkq s ASP 134 CO 0.27 -0.67 1.86 0.74 0.21 0.00 0.00 175.17 177.58 3dkq h THR 135 N 2.08 1.13 0.00 -1.27 2.02 -2.02 -2.82 112.91 112.04 3dkq h THR 135 Ca -0.40 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 3dkq h THR 135 Cb 1.25 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3dkq h THR 135 CO 0.67 0.17 -0.03 1.88 0.37 0.00 0.00 175.52 178.57 3dkq h TYR 136 N 0.91 0.00 0.00 3.16 -1.99 -2.02 -3.49 116.97 113.53 3dkq h TYR 136 Ca 0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.01 3dkq h TYR 136 Cb -0.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.70 3dkq h TYR 136 CO -0.03 0.03 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 3dkq n GLY 137 N 0.94 -0.57 3.26 3.88 0.00 -1.06 -5.15 105.19 106.49 3dkq n GLY 137 Ca 0.03 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 3dkq n GLY 137 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dkq s GLN 138 N 0.00 0.92 -0.04 1.61 -2.07 -1.26 0.55 119.66 119.37 3dkq s GLN 138 Ca 0.00 -0.73 0.05 0.00 -1.82 0.00 0.00 55.36 52.87 3dkq s GLN 138 Cb 0.00 0.40 -0.01 0.00 -1.09 0.00 0.00 33.01 32.31 3dkq s GLN 138 CO 0.00 -0.32 -0.19 -0.65 -1.32 0.00 0.00 175.29 172.80 3dkq s GLN 139 N -3.46 1.87 -0.23 9.60 -0.21 -0.42 -4.93 119.66 121.87 3dkq s GLN 139 Ca 0.01 -0.69 -0.08 0.00 0.02 0.00 0.00 55.36 54.62 3dkq s GLN 139 Cb 0.02 -1.66 -0.04 0.00 1.00 0.00 0.00 33.01 32.33 3dkq s GLN 139 CO -0.09 0.32 0.09 -1.12 -2.12 0.00 0.00 175.29 172.37 3dkq s SER 140 N -0.15 5.51 -0.08 5.90 0.01 -1.26 -1.22 113.70 122.41 3dkq s SER 140 Ca -0.00 -0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.23 3dkq s SER 140 Cb -0.11 -1.98 0.01 0.00 0.21 0.00 0.00 66.02 64.16 3dkq s SER 140 CO 0.02 0.05 -0.14 -0.63 0.41 0.00 0.00 173.24 172.95 3dkq s ILE 141 N 1.10 1.33 -0.26 1.44 -1.09 -0.19 -4.93 121.20 118.61 3dkq s ILE 141 Ca 0.05 -0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 57.87 3dkq s ILE 141 Cb -0.14 -1.21 0.11 0.00 -1.58 0.00 0.00 42.46 39.64 3dkq s ILE 141 CO 0.04 0.40 0.23 -0.54 -1.23 0.00 0.00 174.94 173.84 3dkq s LYS 142 N 0.77 0.24 0.31 2.79 1.02 -1.26 -1.02 119.74 122.59 3dkq s LYS 142 Ca -0.12 -0.10 0.07 0.00 0.02 0.00 0.00 55.97 55.83 3dkq s LYS 142 Cb -0.16 -0.99 -0.02 0.00 -0.52 0.00 0.00 37.83 36.14 3dkq s LYS 142 CO 0.02 -0.89 0.37 -0.51 -0.92 0.00 0.00 175.35 173.43 3dkq s LEU 143 N 2.29 3.91 0.53 3.17 1.43 -1.26 -4.86 118.68 123.89 3dkq s LEU 143 Ca 0.08 -0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 52.74 3dkq s LEU 143 Cb -0.15 -2.57 -0.08 0.00 0.03 0.00 0.00 46.19 43.41 3dkq s LEU 143 CO -0.26 -0.30 0.79 -1.20 0.23 0.00 0.00 176.35 175.60 3dkq n SER 144 N -1.47 0.11 -4.73 2.29 7.64 -1.26 -4.15 113.62 112.04 3dkq n SER 144 Ca -0.03 0.85 -0.42 0.00 1.01 0.00 0.00 58.87 60.28 3dkq n SER 144 Cb 0.58 -1.28 -0.02 0.00 -1.01 0.00 0.00 64.21 62.48 3dkq n SER 144 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dkq s ALA 145 N -1.52 3.88 0.00 -0.43 0.00 -1.25 -1.35 121.76 121.09 3dkq s ALA 145 Ca 0.69 1.60 0.00 0.00 0.00 0.00 0.00 51.96 54.25 3dkq s ALA 145 Cb -0.48 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 18.96 3dkq s ALA 145 CO 0.53 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.74 3dkq n GLY 146 N 3.29 0.93 3.93 0.00 0.00 0.75 -4.80 105.19 109.29 3dkq n GLY 146 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3dkq n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dkq s SER 147 N -2.77 6.36 0.06 1.61 0.01 -0.45 -0.66 113.70 117.86 3dkq s SER 147 Ca 0.00 0.53 0.07 0.00 1.31 0.00 0.00 55.95 57.86 3dkq s SER 147 Cb 0.00 -2.07 -0.03 0.00 0.21 0.00 0.00 66.02 64.14 3dkq s SER 147 CO 0.00 -0.22 -0.19 -0.22 0.41 0.00 0.00 173.24 173.02 3dkq s LEU 148 N -3.89 2.21 -0.06 2.44 0.20 0.37 -1.24 118.68 118.71 3dkq s LEU 148 Ca 0.41 -0.56 0.04 0.00 0.69 0.00 0.00 54.13 54.71 3dkq s LEU 148 Cb -0.10 -0.88 -0.02 0.00 -0.43 0.00 0.00 46.19 44.76 3dkq s LEU 148 CO 0.33 0.11 -0.17 0.54 -0.29 0.00 0.00 176.35 176.87 3dkq s VAL 149 N -0.92 2.80 -0.09 1.68 0.11 -0.54 -0.51 120.40 122.94 3dkq s VAL 149 Ca 0.06 -0.81 0.03 0.00 -2.93 0.00 0.00 61.98 58.34 3dkq s VAL 149 Cb -0.09 -2.09 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 3dkq s VAL 149 CO 0.02 0.58 -0.20 -0.22 -3.33 0.00 0.00 175.10 171.95 3dkq s LEU 150 N -0.45 1.94 0.09 2.54 2.96 0.08 -1.81 118.68 124.03 3dkq s LEU 150 Ca 0.05 -0.48 -0.14 0.00 -0.22 0.00 0.00 54.13 53.34 3dkq s LEU 150 Cb -0.12 -1.22 0.02 0.00 0.50 0.00 0.00 46.19 45.38 3dkq s LEU 150 CO 0.02 0.12 0.34 -0.72 -1.32 0.00 0.00 176.35 174.78 3dkq s TYR 151 N 0.46 -0.12 0.27 5.38 1.13 -0.04 -1.74 117.35 122.70 3dkq s TYR 151 Ca -0.17 -0.15 -0.30 0.00 -1.41 0.00 0.00 57.07 55.04 3dkq s TYR 151 Cb -0.17 0.15 -0.11 0.00 -1.10 0.00 0.00 41.96 40.73 3dkq s TYR 151 CO 0.07 -0.61 1.50 -2.14 -2.51 0.00 0.00 175.55 171.87 3dkq s PRO 152 N -3.37 4.20 0.49 -3.49 0.02 -1.26 -0.19 135.00 131.41 3dkq s PRO 152 Ca 0.01 2.43 0.21 0.00 0.02 0.00 0.00 61.00 63.66 3dkq s PRO 152 Cb 0.02 -3.07 1.28 0.00 0.02 0.00 0.00 34.50 32.75 3dkq s PRO 152 CO -0.09 -0.51 2.06 0.77 -0.33 0.00 0.00 177.00 178.90 3dkq h SER 153 N 4.84 0.00 0.93 2.53 0.02 -1.67 -2.24 113.55 117.97 3dkq h SER 153 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3dkq h SER 153 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3dkq h SER 153 CO 0.78 0.13 0.00 0.77 -1.14 0.00 0.00 176.83 177.37 3dkq h SER 154 N 0.00 0.00 -3.30 3.07 4.64 -1.85 -2.89 113.55 113.22 3dkq h SER 154 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3dkq h SER 154 Cb 0.27 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.43 3dkq h SER 154 CO 0.02 0.00 0.82 -0.44 -0.87 0.00 0.00 176.83 176.36 3dkq s SER 155 N -4.71 6.54 0.21 4.97 0.01 -0.84 -4.81 113.70 115.07 3dkq s SER 155 Ca 0.04 2.77 -0.30 0.00 1.31 0.00 0.00 55.95 59.77 3dkq s SER 155 Cb 0.09 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.61 3dkq s SER 155 CO 0.46 -0.80 1.29 -0.22 0.41 0.00 0.00 173.24 174.38 3dkq s LEU 156 N -0.26 4.43 0.20 2.44 2.96 -1.26 -4.53 118.68 122.66 3dkq s LEU 156 Ca 0.62 2.39 -0.20 0.00 -0.22 0.00 0.00 54.13 56.72 3dkq s LEU 156 Cb -0.44 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 42.67 3dkq s LEU 156 CO 0.44 -0.49 0.59 -1.38 -1.32 0.00 0.00 176.35 174.19 3dkq s HIS 157 N -0.06 -0.27 0.18 5.38 -3.43 0.10 -0.45 115.29 116.74 3dkq s HIS 157 Ca 0.55 -0.06 -0.10 0.00 -0.80 0.00 0.00 55.06 54.65 3dkq s HIS 157 Cb -0.36 0.52 -0.00 0.00 -1.43 0.00 0.00 32.58 31.31 3dkq s HIS 157 CO 0.39 -0.97 0.33 1.14 -2.00 0.00 0.00 174.74 173.63 3dkq s GLN 158 N -3.85 1.24 -0.25 -0.38 -2.07 -0.21 -1.54 119.66 112.61 3dkq s GLN 158 Ca 0.07 -1.17 0.03 0.00 -1.82 0.00 0.00 55.36 52.47 3dkq s GLN 158 Cb -0.02 0.40 0.05 0.00 -1.09 0.00 0.00 33.01 32.36 3dkq s GLN 158 CO -0.04 -0.47 -0.12 0.08 -1.32 0.00 0.00 175.29 173.42 3dkq s VAL 159 N -3.97 2.18 0.72 3.63 1.01 -0.26 -0.65 120.40 123.06 3dkq s VAL 159 Ca 0.18 -1.54 -0.14 0.00 0.00 0.00 0.00 61.98 60.48 3dkq s VAL 159 Cb 0.02 -2.23 0.04 0.00 0.00 0.00 0.00 36.38 34.20 3dkq s VAL 159 CO 0.02 0.04 1.17 0.42 0.00 0.00 0.00 175.10 176.75 3dkq s THR 160 N 1.13 2.63 0.46 3.92 -4.23 -0.37 -1.27 115.64 117.90 3dkq s THR 160 Ca -0.07 0.29 -0.24 0.00 -1.18 0.00 0.00 61.69 60.48 3dkq s THR 160 Cb -0.19 -2.79 -0.08 0.00 1.34 0.00 0.00 72.50 70.77 3dkq s THR 160 CO -0.06 -0.18 1.30 -2.65 -0.54 0.00 0.00 174.62 172.49 3dkq n PRO 161 N -2.78 1.90 -3.32 3.99 -0.02 -1.26 -2.25 135.00 131.26 3dkq n PRO 161 Ca 0.12 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 3dkq n PRO 161 Cb 0.51 -2.46 -0.09 0.00 -0.02 0.00 0.00 33.50 31.45 3dkq n PRO 161 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dkq s VAL 162 N -1.23 5.09 -1.10 -1.45 1.01 -1.00 -1.91 120.40 119.81 3dkq s VAL 162 Ca 0.64 -0.29 0.23 0.00 0.00 0.00 0.00 61.98 62.56 3dkq s VAL 162 Cb -0.47 -4.02 -0.12 0.00 0.00 0.00 0.00 36.38 31.77 3dkq s VAL 162 CO 0.56 -0.39 1.11 0.18 0.00 0.00 0.00 175.10 176.56 3dkq n LEU 163 N 5.60 0.90 -3.56 3.92 4.77 -0.64 -0.32 117.00 127.65 3dkq n LEU 163 Ca -0.07 -0.34 -0.17 0.00 -0.03 0.00 0.00 56.01 55.40 3dkq n LEU 163 Cb 0.48 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 3dkq n LEU 163 CO 0.46 0.21 0.39 -0.55 -1.33 0.00 0.00 177.39 176.57 3dkq s SER 164 N -2.95 -0.63 0.49 -1.43 0.15 -1.25 -4.76 113.70 103.33 3dkq s SER 164 Ca 0.10 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.55 3dkq s SER 164 Cb 0.17 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 3dkq s SER 164 CO 0.78 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 175.31 3dkq n GLY 165 N 1.30 -0.89 2.98 9.45 0.00 -1.26 -1.03 105.19 115.75 3dkq n GLY 165 Ca -0.18 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 3dkq n GLY 165 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dkq s GLU 166 N 0.00 0.34 -0.29 1.61 4.04 -1.25 -4.49 118.70 118.66 3dkq s GLU 166 Ca 0.00 -0.47 0.00 0.00 0.04 0.00 0.00 54.97 54.54 3dkq s GLU 166 Cb 0.00 -0.13 0.05 0.00 0.02 0.00 0.00 34.13 34.08 3dkq s GLU 166 CO 0.00 0.02 -0.04 0.50 -1.84 0.00 0.00 175.26 173.90 3dkq s ARG 167 N -1.00 2.35 -0.11 -4.83 3.52 -0.51 -4.63 118.95 113.74 3dkq s ARG 167 Ca -0.08 -1.30 -0.05 0.00 -0.13 0.00 0.00 55.73 54.17 3dkq s ARG 167 Cb -0.07 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.21 3dkq s ARG 167 CO -0.00 -0.60 0.06 0.99 -0.81 0.00 0.00 175.30 174.93 3dkq s THR 168 N 1.19 4.80 0.14 4.11 2.01 -1.26 -1.79 115.64 124.84 3dkq s THR 168 Ca -0.07 -0.06 -0.15 0.00 0.31 0.00 0.00 61.69 61.72 3dkq s THR 168 Cb -0.20 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.27 3dkq s THR 168 CO -0.03 0.59 0.41 0.00 -0.69 0.00 0.00 174.62 174.90 3dkq s ALA 169 N -0.72 -0.81 -0.15 7.40 0.00 -0.78 -1.00 121.76 125.70 3dkq s ALA 169 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 3dkq s ALA 169 Cb -0.12 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 3dkq s ALA 169 CO 0.03 -0.67 -0.05 0.00 0.00 0.00 0.00 175.76 175.06 3dkq s ALA 170 N -3.84 2.97 0.26 0.00 0.00 -0.21 -1.72 121.76 119.22 3dkq s ALA 170 Ca 0.06 -0.83 0.11 0.00 0.00 0.00 0.00 51.96 51.30 3dkq s ALA 170 Cb 0.01 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 3dkq s ALA 170 CO -0.09 0.25 -0.18 -0.59 0.00 0.00 0.00 175.76 175.15 3dkq s PHE 171 N 0.27 2.13 0.11 0.00 -0.71 0.15 -0.42 117.98 119.51 3dkq s PHE 171 Ca -0.04 -0.41 -0.10 0.00 -1.04 0.00 0.00 56.93 55.34 3dkq s PHE 171 Cb -0.14 -0.96 0.00 0.00 -1.21 0.00 0.00 43.02 40.71 3dkq s PHE 171 CO 0.03 0.61 0.24 -1.58 -1.34 0.00 0.00 175.22 173.18 3dkq s TRP 173 N -2.65 0.14 -0.11 3.49 0.51 -1.25 -0.26 118.94 118.81 3dkq s TRP 173 Ca 0.28 -0.54 -0.30 0.00 -2.12 0.00 0.00 56.10 53.42 3dkq s TRP 173 Cb -0.03 -0.01 0.07 0.00 -0.81 0.00 0.00 33.47 32.69 3dkq s TRP 173 CO 0.13 -0.60 0.70 -0.48 -0.51 0.00 0.00 176.95 176.19 3dkq s LEU 174 N -2.87 -0.68 0.10 2.99 0.05 -0.72 -1.11 118.68 116.44 3dkq s LEU 174 Ca 0.07 0.89 -0.26 0.00 0.05 0.00 0.00 54.13 54.88 3dkq s LEU 174 Cb 0.04 2.51 -0.06 0.00 -2.05 0.00 0.00 46.19 46.62 3dkq s LEU 174 CO -0.09 -0.52 0.80 -1.10 -0.55 0.00 0.00 176.35 174.89 3dkq s GLN 175 N -0.80 4.56 0.00 1.48 -0.21 0.59 -1.98 119.66 123.31 3dkq s GLN 175 Ca -0.08 1.16 0.00 0.00 0.02 0.00 0.00 55.36 56.46 3dkq s GLN 175 Cb -0.01 -3.33 0.00 0.00 1.00 0.00 0.00 33.01 30.67 3dkq s GLN 175 CO 0.08 0.38 0.00 0.45 -2.12 0.00 0.00 175.29 174.07 3dkq n SER 176 N 2.37 0.00 0.00 5.90 2.88 -1.26 -0.53 113.62 122.98 3dkq n SER 176 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 3dkq n SER 176 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 3dkq n SER 176 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3dkq n VAL 178 N 0.00 0.00 0.05 2.46 0.31 -1.26 -4.63 118.33 115.25 3dkq n VAL 178 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 3dkq n VAL 178 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 3dkq n VAL 178 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3dkq h ARG 179 N 0.00 0.49 -6.39 5.55 0.11 -1.93 -3.45 114.38 108.77 3dkq h ARG 179 Ca 0.00 -0.46 -0.54 0.00 0.10 0.00 0.00 59.98 59.08 3dkq h ARG 179 Cb 0.00 0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 3dkq h ARG 179 CO 0.00 1.10 0.71 0.34 0.10 0.00 0.00 179.97 182.22 3dkq s ASP 180 N -7.06 6.98 0.13 0.08 -1.08 -1.26 -4.94 116.67 109.52 3dkq s ASP 180 Ca -0.07 1.98 -0.18 0.00 -0.52 0.00 0.00 52.55 53.76 3dkq s ASP 180 Cb 0.09 -2.57 -0.03 0.00 -1.46 0.00 0.00 42.92 38.95 3dkq s ASP 180 CO 0.87 -0.60 1.78 -0.08 0.52 0.00 0.00 175.17 177.66 3dkq h GLU 181 N 7.38 0.32 -0.29 4.34 4.22 -1.98 -0.88 114.58 127.70 3dkq h GLU 181 Ca -0.38 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.02 3dkq h GLU 181 Cb 1.18 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3dkq h GLU 181 CO 0.87 0.21 0.10 0.78 -2.18 0.00 0.00 179.01 178.79 3dkq h GLY 182 N 0.33 0.47 0.78 1.92 0.00 -1.99 -1.29 103.07 103.30 3dkq h GLY 182 Ca 0.10 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.20 3dkq h GLY 182 CO -0.04 0.26 0.33 1.46 0.00 0.00 0.00 176.54 178.54 3dkq h GLN 183 N 0.31 0.61 -0.64 4.80 4.20 -1.95 -0.75 115.11 121.70 3dkq h GLN 183 Ca 0.09 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 3dkq h GLN 183 Cb 0.22 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3dkq h GLN 183 CO -0.00 0.41 0.16 -0.09 -0.67 0.00 0.00 178.83 178.63 3dkq h ARG 184 N 0.63 1.00 -0.18 1.46 2.43 -0.94 -0.93 114.38 117.85 3dkq h ARG 184 Ca 0.25 -0.22 -0.17 0.00 -0.81 0.00 0.00 59.98 59.02 3dkq h ARG 184 Cb 0.10 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3dkq h ARG 184 CO -0.14 0.89 -0.60 0.00 -1.51 0.00 0.00 179.97 178.61 3dkq h ARG 185 N 0.95 0.61 -0.23 0.20 3.08 -0.98 -1.69 114.38 116.32 3dkq h ARG 185 Ca 0.20 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 3dkq h ARG 185 Cb 0.33 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3dkq h ARG 185 CO -0.00 1.02 0.12 1.25 -1.07 0.00 0.00 179.97 181.30 3dkq h LEU 186 N 0.45 0.29 -0.20 3.04 6.46 -0.87 0.14 115.31 124.62 3dkq h LEU 186 Ca -0.00 -0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 3dkq h LEU 186 Cb 1.17 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 41.00 3dkq h LEU 186 CO 0.12 0.30 0.09 -0.07 -0.62 0.00 0.00 178.44 178.26 3dkq h LEU 187 N 0.26 0.13 -0.34 2.25 3.38 -1.15 -0.70 115.31 119.13 3dkq h LEU 187 Ca 0.08 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3dkq h LEU 187 Cb 0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3dkq h LEU 187 CO -0.01 0.10 0.08 0.15 0.09 0.00 0.00 178.44 178.85 3dkq h PHE 188 N 0.20 0.13 -0.79 1.13 3.57 -1.09 0.15 116.94 120.23 3dkq h PHE 188 Ca 0.08 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3dkq h PHE 188 Cb 0.03 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 3dkq h PHE 188 CO -0.10 0.03 0.42 0.37 -2.23 0.00 0.00 178.31 176.80 3dkq h GLN 189 N 0.20 1.12 -0.34 1.11 5.75 -0.73 0.21 115.11 122.42 3dkq h GLN 189 Ca 0.16 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 3dkq h GLN 189 Cb 0.17 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 3dkq h GLN 189 CO -0.20 0.84 0.13 1.25 -2.65 0.00 0.00 178.83 178.20 3dkq h LEU 190 N 1.11 0.47 -0.06 -2.39 5.85 -0.50 -1.42 115.31 118.37 3dkq h LEU 190 Ca 0.28 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3dkq h LEU 190 Cb 0.06 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3dkq h LEU 190 CO -0.04 0.51 0.03 -0.78 -0.34 0.00 0.00 178.44 177.81 3dkq h ASP 191 N 0.40 0.07 -0.99 1.25 3.58 -0.26 -1.70 116.42 118.78 3dkq h ASP 191 Ca 0.11 -0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.48 3dkq h ASP 191 Cb 0.19 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.16 3dkq h ASP 191 CO -0.01 0.19 0.64 1.56 -2.88 0.00 0.00 179.24 178.74 3dkq h GLN 192 N -0.04 1.17 -0.49 0.28 1.08 -0.54 -1.46 115.11 115.11 3dkq h GLN 192 Ca 0.02 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.05 3dkq h GLN 192 Cb 0.13 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 3dkq h GLN 192 CO -0.00 0.77 -0.11 0.77 -0.95 0.00 0.00 178.83 179.31 3dkq h SER 193 N 1.20 0.90 -0.88 1.46 0.02 -1.05 -2.03 113.55 113.17 3dkq h SER 193 Ca 0.41 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3dkq h SER 193 Cb 0.08 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 3dkq h SER 193 CO -0.14 1.02 0.46 0.40 -1.14 0.00 0.00 176.83 177.43 3dkq h ILE 194 N 0.81 1.26 0.23 3.27 2.04 -0.60 -1.07 117.51 123.45 3dkq h ILE 194 Ca 0.13 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3dkq h ILE 194 Cb 0.63 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3dkq h ILE 194 CO 0.04 0.30 -0.11 1.56 0.00 0.00 0.00 178.15 179.95 3dkq h GLN 195 N 1.24 -0.29 -0.57 2.37 1.08 -1.12 -0.81 115.11 117.01 3dkq h GLN 195 Ca 0.31 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.63 3dkq h GLN 195 Cb 0.06 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 27.48 3dkq h GLN 195 CO -0.05 -0.03 0.15 0.77 -0.95 0.00 0.00 178.83 178.73 3dkq h SER 196 N -0.54 0.07 0.02 1.46 0.02 -1.29 0.24 113.55 113.53 3dkq h SER 196 Ca -0.03 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3dkq h SER 196 Cb 0.40 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3dkq h SER 196 CO 0.05 0.05 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.62 3dkq h LEU 197 N 0.30 0.19 -0.31 5.07 3.38 -1.15 -1.26 115.31 121.52 3dkq h LEU 197 Ca 0.29 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 3dkq h LEU 197 Cb 0.40 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3dkq h LEU 197 CO -0.35 0.33 -0.15 0.74 0.09 0.00 0.00 178.44 179.09 3dkq h THR 198 N 0.20 1.29 -0.20 0.22 2.02 0.82 -1.15 112.91 116.11 3dkq h THR 198 Ca 0.04 -1.26 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 3dkq h THR 198 Cb 0.32 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3dkq h THR 198 CO 0.02 0.41 0.01 0.00 0.37 0.00 0.00 175.52 176.33 3dkq h ALA 199 N 0.76 1.65 -0.00 6.16 0.00 -0.31 -2.26 119.26 125.26 3dkq h ALA 199 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dkq h ALA 199 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3dkq h ALA 199 CO 0.05 0.27 -0.02 1.04 0.00 0.00 0.00 179.25 180.58 3dkq n GLN 200 N -4.38 0.73 -3.34 0.00 6.02 -0.51 -4.94 117.38 110.96 3dkq n GLN 200 Ca 0.00 -0.08 -0.22 0.00 -0.01 0.00 0.00 57.00 56.70 3dkq n GLN 200 Cb 0.17 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.00 3dkq n GLN 200 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3dkq n THR 201 N -1.07 -2.49 -0.72 5.09 -1.04 -0.85 -4.99 114.28 108.21 3dkq n THR 201 Ca 0.18 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.89 3dkq n THR 201 Cb 0.20 -3.66 0.19 0.00 -1.82 0.00 0.00 70.33 65.24 3dkq n THR 201 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dkq s ALA 202 N -3.25 0.82 0.20 2.41 0.00 -0.49 -4.88 121.76 116.57 3dkq s ALA 202 Ca 0.46 0.26 -0.32 0.00 0.00 0.00 0.00 51.96 52.36 3dkq s ALA 202 Cb -0.20 -3.35 -0.15 0.00 0.00 0.00 0.00 23.12 19.43 3dkq s ALA 202 CO 0.57 -3.07 1.31 0.00 0.00 0.00 0.00 175.76 174.57 3dkq n ALA 203 N -4.42 0.21 -0.10 0.00 0.00 -1.26 -4.84 120.51 110.10 3dkq n ALA 203 Ca 0.08 0.44 -0.09 0.00 0.00 0.00 0.00 53.44 53.87 3dkq n ALA 203 Cb 0.53 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.81 3dkq n ALA 203 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3dkq h GLU 204 N 3.95 0.43 -0.82 0.00 4.81 -1.99 -1.78 114.58 119.18 3dkq h GLU 204 Ca -0.44 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 58.86 3dkq h GLU 204 Cb 1.31 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 3dkq h GLU 204 CO 0.74 0.30 0.53 0.37 -0.73 0.00 0.00 179.01 180.22 3dkq h GLN 205 N 0.44 0.73 0.11 1.92 5.75 -1.99 0.22 115.11 122.29 3dkq h GLN 205 Ca 0.12 -0.04 -0.27 0.00 -0.15 0.00 0.00 58.65 58.31 3dkq h GLN 205 Cb -0.04 -0.17 0.01 0.00 1.07 0.00 0.00 27.48 28.35 3dkq h GLN 205 CO -0.03 0.49 -1.18 0.93 -2.65 0.00 0.00 178.83 176.39 3dkq h GLU 206 N 0.76 0.36 -0.51 1.69 4.39 -1.85 -1.28 114.58 118.14 3dkq h GLU 206 Ca 0.38 -0.53 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3dkq h GLU 206 Cb 0.46 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3dkq h GLU 206 CO -0.15 1.22 0.29 -0.07 -1.16 0.00 0.00 179.01 179.14 3dkq h LEU 207 N 0.14 0.64 -0.20 1.33 3.38 -0.68 -1.11 115.31 118.80 3dkq h LEU 207 Ca -0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3dkq h LEU 207 Cb 1.88 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 3dkq h LEU 207 CO 0.20 0.54 0.07 -0.26 0.09 0.00 0.00 178.44 179.08 3dkq h PHE 208 N 0.69 0.31 -0.74 1.13 0.04 -0.96 -1.64 116.94 115.76 3dkq h PHE 208 Ca 0.18 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.99 3dkq h PHE 208 Cb 0.04 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.04 3dkq h PHE 208 CO -0.02 0.37 0.43 -0.91 -0.60 0.00 0.00 178.31 177.59 3dkq h ASN 209 N 0.16 0.66 -0.58 2.17 2.35 -1.14 -0.06 115.58 119.15 3dkq h ASN 209 Ca 0.07 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3dkq h ASN 209 Cb 0.20 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3dkq h ASN 209 CO -0.00 0.42 0.02 -0.07 -1.65 0.00 0.00 177.43 176.15 3dkq h LEU 210 N 0.80 0.98 -0.89 1.61 3.38 -1.16 -2.07 115.31 117.96 3dkq h LEU 210 Ca 0.33 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3dkq h LEU 210 Cb 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3dkq h LEU 210 CO -0.18 1.04 0.09 0.28 0.09 0.00 0.00 178.44 179.77 3dkq h SER 211 N 0.90 0.86 -0.73 -0.43 0.02 -0.83 -0.91 113.55 112.43 3dkq h SER 211 Ca 0.17 -0.18 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3dkq h SER 211 Cb 0.52 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 3dkq h SER 211 CO 0.03 0.87 0.45 1.23 -1.14 0.00 0.00 176.83 178.27 3dkq h GLY 212 N 1.01 1.06 0.98 -3.77 0.00 -0.89 0.13 103.07 101.59 3dkq h GLY 212 Ca 0.18 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 3dkq h GLY 212 CO 0.01 0.28 0.12 -2.08 0.00 0.00 0.00 176.54 174.87 3dkq h VAL 213 N 0.88 1.24 0.07 4.60 2.07 -0.82 -2.19 116.25 122.10 3dkq h VAL 213 Ca 0.30 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.97 3dkq h VAL 213 Cb 0.04 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3dkq h VAL 213 CO -0.12 0.31 -0.12 0.22 0.02 0.00 0.00 177.57 177.88 3dkq h TYR 214 N 0.71 -0.30 -0.14 1.57 3.20 -0.74 -1.66 116.97 119.60 3dkq h TYR 214 Ca 0.16 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 3dkq h TYR 214 Cb 0.34 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3dkq h TYR 214 CO 0.02 -0.18 -0.33 0.45 -1.64 0.00 0.00 178.16 176.48 3dkq h HIS 215 N -0.24 0.32 -0.27 -3.82 3.86 -0.97 -1.27 115.15 112.77 3dkq h HIS 215 Ca 0.02 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 3dkq h HIS 215 Cb 0.25 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3dkq h HIS 215 CO -0.14 0.58 0.06 -0.97 0.86 0.00 0.00 177.93 178.32 3dkq h ASN 216 N 0.24 0.42 -0.69 2.45 -0.73 -1.27 0.59 115.58 116.59 3dkq h ASN 216 Ca 0.03 -0.24 -0.06 0.00 1.87 0.00 0.00 56.30 57.90 3dkq h ASN 216 Cb 0.71 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 39.16 3dkq h ASN 216 CO 0.05 0.55 0.18 -0.07 -0.37 0.00 0.00 177.43 177.78 3dkq h LEU 217 N 0.27 1.03 -0.73 0.34 3.38 -1.13 -1.28 115.31 117.19 3dkq h LEU 217 Ca 0.08 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3dkq h LEU 217 Cb 0.30 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3dkq h LEU 217 CO 0.00 0.99 0.35 0.25 0.09 0.00 0.00 178.44 180.13 3dkq h LEU 218 N 1.03 0.95 -1.04 1.67 5.85 -1.09 -0.59 115.31 122.09 3dkq h LEU 218 Ca 0.22 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3dkq h LEU 218 Cb 0.35 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3dkq h LEU 218 CO -0.00 0.82 0.32 0.03 -0.34 0.00 0.00 178.44 179.27 3dkq h ARG 219 N 1.02 1.00 -0.32 1.25 3.08 -0.59 -1.72 114.38 118.10 3dkq h ARG 219 Ca 0.25 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 60.00 3dkq h ARG 219 Cb 0.11 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3dkq h ARG 219 CO -0.03 0.78 -0.42 0.00 -1.07 0.00 0.00 179.97 179.23 3dkq h ARG 220 N 1.00 0.81 0.00 0.04 3.08 -0.54 -3.37 114.38 115.39 3dkq h ARG 220 Ca 0.24 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3dkq h ARG 220 Cb 0.12 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3dkq h ARG 220 CO -0.03 1.07 -1.20 0.91 -1.07 0.00 0.00 179.97 179.65 3dkq n TRP 221 N -4.03 0.00 -2.28 3.04 8.01 -0.30 -5.01 117.44 116.87 3dkq n TRP 221 Ca -0.02 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.78 3dkq n TRP 221 Cb 0.55 -0.14 -0.02 0.00 -2.01 0.00 0.00 31.31 29.70 3dkq n TRP 221 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 3dkq s SER 222 N -3.23 6.48 -0.13 -0.99 1.04 -0.65 -4.56 113.70 111.65 3dkq s SER 222 Ca 0.03 2.35 -0.02 0.00 0.48 0.00 0.00 55.95 58.79 3dkq s SER 222 Cb 0.14 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.68 3dkq s SER 222 CO 0.78 -0.71 -0.01 -1.61 0.98 0.00 0.00 173.24 172.68 3dkq s GLU 223 N -2.34 0.85 0.00 4.02 2.02 -1.26 -4.98 118.70 117.01 3dkq s GLU 223 Ca 0.58 -0.19 0.20 0.00 0.02 0.00 0.00 54.97 55.58 3dkq s GLU 223 Cb -0.31 -1.54 0.16 0.00 0.10 0.00 0.00 34.13 32.54 3dkq s GLU 223 CO 0.39 -0.42 1.14 1.28 0.02 0.00 0.00 175.26 177.66