#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d5k n ASN 4 N 0.00 2.93 -0.35 6.43 0.23 -1.26 -3.97 115.26 119.27 2d5k n ASN 4 Ca 0.00 -2.92 -0.01 0.00 -0.53 0.00 0.00 54.58 51.13 2d5k n ASN 4 Cb 0.00 0.39 0.15 0.00 -2.08 0.00 0.00 39.78 38.24 2d5k n ASN 4 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2d5k h GLN 5 N 0.00 1.23 -0.14 -3.83 5.75 -1.97 -2.10 115.11 114.05 2d5k h GLN 5 Ca -0.35 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.01 2d5k h GLN 5 Cb 1.10 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 2d5k h GLN 5 CO 0.58 0.81 -0.18 0.37 -2.65 0.00 0.00 178.83 177.76 2d5k h GLN 6 N 1.26 0.23 -0.47 1.69 5.75 -1.97 -0.89 115.11 120.71 2d5k h GLN 6 Ca 0.36 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.73 2d5k h GLN 6 Cb -0.08 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 2d5k h GLN 6 CO -0.09 0.42 0.01 -0.44 -2.65 0.00 0.00 178.83 176.08 2d5k h ASP 7 N 0.22 0.74 -0.22 -0.69 3.32 -1.78 -1.64 116.42 116.36 2d5k h ASP 7 Ca 0.04 -0.17 -0.17 0.00 0.02 0.00 0.00 57.03 56.75 2d5k h ASP 7 Cb 0.46 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 2d5k h ASP 7 CO 0.03 0.80 -0.51 0.58 -1.72 0.00 0.00 179.24 178.42 2d5k h VAL 8 N 0.72 1.28 -0.73 -1.35 2.07 -1.10 -2.65 116.25 114.51 2d5k h VAL 8 Ca 0.14 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 2d5k h VAL 8 Cb 0.43 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 2d5k h VAL 8 CO 0.02 0.55 0.44 0.58 0.02 0.00 0.00 177.57 179.18 2d5k h VAL 9 N 0.63 1.20 -0.74 2.57 2.07 -0.83 0.12 116.25 121.26 2d5k h VAL 9 Ca 0.02 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2d5k h VAL 9 Cb 1.09 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2d5k h VAL 9 CO 0.11 0.21 0.39 0.50 0.02 0.00 0.00 177.57 178.80 2d5k h LYS 10 N 1.00 1.04 -0.44 1.57 3.64 -1.09 0.21 116.57 122.51 2d5k h LYS 10 Ca 0.26 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 2d5k h LYS 10 Cb -0.04 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 2d5k h LYS 10 CO -0.05 0.79 -0.24 0.93 -2.27 0.00 0.00 179.45 178.61 2d5k h GLU 11 N 1.03 0.90 -0.30 1.90 4.39 -0.94 -1.15 114.58 120.41 2d5k h GLU 11 Ca 0.26 -0.39 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 2d5k h GLU 11 Cb 0.06 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2d5k h GLU 11 CO -0.04 1.04 0.09 -0.07 -1.16 0.00 0.00 179.01 178.87 2d5k h LEU 12 N 0.77 0.44 -1.24 1.33 3.38 -0.38 -2.77 115.31 116.85 2d5k h LEU 12 Ca 0.10 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2d5k h LEU 12 Cb 0.79 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2d5k h LEU 12 CO 0.07 0.54 -0.18 0.78 0.09 0.00 0.00 178.44 179.74 2d5k h ASN 13 N 0.33 0.29 -0.80 -0.43 2.35 -0.89 -1.32 115.58 115.11 2d5k h ASN 13 Ca 0.10 -0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2d5k h ASN 13 Cb 0.26 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 2d5k h ASN 13 CO -0.00 0.49 0.49 -0.61 -1.65 0.00 0.00 177.43 176.15 2d5k h GLN 14 N 0.28 0.90 -0.06 0.81 5.75 -0.96 0.21 115.11 122.05 2d5k h GLN 14 Ca 0.05 -0.05 -0.21 0.00 -0.15 0.00 0.00 58.65 58.28 2d5k h GLN 14 Cb 0.48 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2d5k h GLN 14 CO 0.03 0.60 -0.84 1.96 -2.65 0.00 0.00 178.83 177.93 2d5k h GLN 15 N 0.93 0.51 -0.79 1.69 1.08 -1.15 -0.78 115.11 116.59 2d5k h GLN 15 Ca 0.34 -0.47 0.02 0.00 -1.45 0.00 0.00 58.65 57.09 2d5k h GLN 15 Cb 0.10 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.60 2d5k h GLN 15 CO -0.15 1.10 0.52 0.28 -0.95 0.00 0.00 178.83 179.63 2d5k h VAL 16 N 0.32 1.16 0.03 -0.54 2.07 -0.73 -0.01 116.25 118.55 2d5k h VAL 16 Ca -0.06 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 2d5k h VAL 16 Cb 1.46 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2d5k h VAL 16 CO 0.15 0.19 -0.01 0.00 0.02 0.00 0.00 177.57 177.92 2d5k h ALA 17 N 1.31 -0.04 -0.16 1.67 0.00 -0.88 -1.56 119.26 119.60 2d5k h ALA 17 Ca 0.31 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2d5k h ALA 17 Cb -0.05 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2d5k h ALA 17 CO -0.09 -0.39 -0.18 -0.91 0.00 0.00 0.00 179.25 177.68 2d5k h ASN 18 N -0.31 -0.58 1.24 0.00 2.35 -0.74 -2.24 115.58 115.30 2d5k h ASN 18 Ca -0.00 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2d5k h ASN 18 Cb 0.29 0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 2d5k h ASN 18 CO 0.01 -0.23 -0.10 -0.50 -1.65 0.00 0.00 177.43 174.96 2d5k h TRP 19 N -0.22 0.00 -0.25 1.19 4.06 -1.02 -0.03 115.95 119.69 2d5k h TRP 19 Ca 0.11 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.86 2d5k h TRP 19 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 2d5k h TRP 19 CO -0.31 0.10 -0.62 1.15 -3.56 0.00 0.00 178.44 175.20 2d5k h THR 20 N 0.00 1.27 -0.24 1.49 2.02 -0.95 0.33 112.91 116.83 2d5k h THR 20 Ca -0.00 -1.81 -0.16 0.00 0.77 0.00 0.00 66.41 65.21 2d5k h THR 20 Cb 0.75 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2d5k h THR 20 CO 0.01 0.58 -0.47 0.58 0.37 0.00 0.00 175.52 176.60 2d5k h VAL 21 N 0.63 1.30 -0.37 3.16 2.07 -1.15 -3.10 116.25 118.79 2d5k h VAL 21 Ca -0.01 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 65.80 2d5k h VAL 21 Cb 1.24 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 2d5k h VAL 21 CO 0.14 0.53 0.08 0.00 0.02 0.00 0.00 177.57 178.34 2d5k h ALA 22 N 0.64 1.45 -0.43 1.67 0.00 -0.95 -1.35 119.26 120.29 2d5k h ALA 22 Ca 0.01 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2d5k h ALA 22 Cb 1.08 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2d5k h ALA 22 CO 0.11 0.40 0.15 -0.92 0.00 0.00 0.00 179.25 178.98 2d5k h TYR 23 N 0.53 0.26 -0.02 0.00 3.20 -0.85 0.26 116.97 120.36 2d5k h TYR 23 Ca 0.12 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.80 2d5k h TYR 23 Cb 0.22 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2d5k h TYR 23 CO 0.01 0.10 -0.89 1.15 -1.64 0.00 0.00 178.16 176.89 2d5k h THR 24 N 0.31 1.40 -0.46 1.81 2.02 -1.46 -2.57 112.91 113.97 2d5k h THR 24 Ca 0.20 -2.38 -0.07 0.00 0.77 0.00 0.00 66.41 64.93 2d5k h THR 24 Cb 0.19 2.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 2d5k h THR 24 CO -0.20 0.71 -0.00 0.50 0.37 0.00 0.00 175.52 176.89 2d5k h LYS 25 N 0.24 0.75 -0.06 6.66 3.64 -0.82 -0.05 116.57 126.94 2d5k h LYS 25 Ca -0.07 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.03 2d5k h LYS 25 Cb 1.51 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 2d5k h LYS 25 CO 0.15 0.76 -0.37 -0.07 -2.27 0.00 0.00 179.45 177.65 2d5k h LEU 26 N 0.70 0.12 -0.31 5.20 3.38 -0.45 0.14 115.31 124.09 2d5k h LEU 26 Ca 0.14 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2d5k h LEU 26 Cb 0.44 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2d5k h LEU 26 CO 0.02 0.49 -0.16 0.45 0.09 0.00 0.00 178.44 179.33 2d5k h HIS 27 N 0.10 0.75 -0.16 1.13 3.86 -0.94 0.22 115.15 120.11 2d5k h HIS 27 Ca 0.01 -0.19 0.04 0.00 -1.16 0.00 0.00 60.37 59.07 2d5k h HIS 27 Cb 0.71 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.97 2d5k h HIS 27 CO 0.01 0.88 -0.08 -0.97 0.86 0.00 0.00 177.93 178.63 2d5k h ASN 28 N 0.41 -0.26 -0.46 2.45 -0.73 -0.45 0.51 115.58 117.05 2d5k h ASN 28 Ca 0.07 0.06 -0.07 0.00 1.87 0.00 0.00 56.30 58.24 2d5k h ASN 28 Cb 0.68 0.15 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 2d5k h ASN 28 CO 0.05 -0.10 0.06 -0.26 -0.37 0.00 0.00 177.43 176.80 2d5k h PHE 29 N -0.06 0.88 -0.99 0.67 0.04 -0.89 0.28 116.94 116.87 2d5k h PHE 29 Ca 0.09 -0.11 0.05 0.00 2.80 0.00 0.00 57.97 60.80 2d5k h PHE 29 Cb 0.19 -0.25 -0.06 0.00 2.20 0.00 0.00 35.95 38.04 2d5k h PHE 29 CO -0.22 0.78 0.64 1.25 -0.60 0.00 0.00 178.31 180.16 2d5k h HIS 30 N 0.79 1.21 0.20 -0.55 -0.00 -0.21 -1.19 115.15 115.40 2d5k h HIS 30 Ca 0.16 0.03 -0.29 0.00 -0.00 0.00 0.00 60.37 60.27 2d5k h HIS 30 Cb 0.40 -0.40 0.03 0.00 -0.00 0.00 0.00 27.41 27.43 2d5k h HIS 30 CO 0.02 0.67 -1.33 -1.49 -0.00 0.00 0.00 177.93 175.80 2d5k h TRP 31 N 1.22 0.78 -0.01 5.26 6.55 -0.31 -3.38 115.95 126.06 2d5k h TRP 31 Ca 0.40 -0.57 0.00 0.00 0.95 0.00 0.00 58.89 59.68 2d5k h TRP 31 Cb 0.05 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.32 2d5k h TRP 31 CO -0.00 1.51 -0.32 0.66 -1.05 0.00 0.00 178.44 179.24 2d5k n TYR 32 N -3.84 0.00 -1.81 0.49 4.01 0.03 -4.95 117.16 111.09 2d5k n TYR 32 Ca -0.18 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.15 2d5k n TYR 32 Cb 1.00 -0.15 -0.00 0.00 -0.31 0.00 0.00 39.34 39.88 2d5k n TYR 32 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2d5k s VAL 33 N -2.62 2.09 0.17 -0.72 0.11 -0.46 -4.96 120.40 114.01 2d5k s VAL 33 Ca 0.21 0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.33 2d5k s VAL 33 Cb 0.19 -3.05 -0.04 0.00 -1.53 0.00 0.00 36.38 31.94 2d5k s VAL 33 CO 0.56 0.02 0.10 -0.54 -3.33 0.00 0.00 175.10 171.91 2d5k s LYS 34 N -1.82 1.08 0.00 1.54 1.02 -1.26 -4.94 119.74 115.36 2d5k s LYS 34 Ca 0.54 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.99 2d5k s LYS 34 Cb -0.46 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.10 2d5k s LYS 34 CO 0.60 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 175.11 2d5k n GLY 35 N -0.19 1.62 0.22 -3.33 0.00 -1.26 -4.20 105.19 98.05 2d5k n GLY 35 Ca -0.01 -2.10 0.14 0.00 0.00 0.00 0.00 46.02 44.04 2d5k n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d5k h PRO 36 N 0.00 0.00 -0.64 1.61 0.13 -2.07 -0.30 132.00 130.73 2d5k h PRO 36 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2d5k h PRO 36 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2d5k h PRO 36 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 2d5k n ASN 37 N -2.49 4.70 -0.15 1.44 3.02 -1.26 -4.65 115.26 115.87 2d5k n ASN 37 Ca -0.02 -2.44 -0.04 0.00 -0.03 0.00 0.00 54.58 52.05 2d5k n ASN 37 Cb 0.11 -0.57 0.02 0.00 -0.61 0.00 0.00 39.78 38.73 2d5k n ASN 37 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2d5k h PHE 38 N 4.00 -0.56 -0.46 3.10 3.57 -1.30 -1.57 116.94 123.73 2d5k h PHE 38 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2d5k h PHE 38 Cb 1.43 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 40.47 2d5k h PHE 38 CO 0.75 -0.30 0.29 0.74 -2.23 0.00 0.00 178.31 177.55 2d5k h PHE 39 N -0.12 0.59 -0.24 0.41 0.04 -1.84 0.17 116.94 115.95 2d5k h PHE 39 Ca 0.23 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.96 2d5k h PHE 39 Cb 0.47 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2d5k h PHE 39 CO -0.49 0.39 0.00 0.77 -0.60 0.00 0.00 178.31 178.38 2d5k h SER 40 N 0.61 0.41 0.04 2.17 0.02 -1.84 -3.01 113.55 111.95 2d5k h SER 40 Ca 0.17 -0.31 -0.18 0.00 -0.84 0.00 0.00 61.79 60.63 2d5k h SER 40 Cb -0.04 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 2d5k h SER 40 CO -0.03 0.61 -0.63 -0.07 -1.14 0.00 0.00 176.83 175.57 2d5k h LEU 41 N 0.19 0.66 -0.68 5.07 3.38 -1.22 -0.91 115.31 121.79 2d5k h LEU 41 Ca 0.07 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.74 2d5k h LEU 41 Cb 0.41 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 2d5k h LEU 41 CO 0.01 1.12 0.34 -0.74 0.09 0.00 0.00 178.44 179.27 2d5k h HIS 42 N 0.42 0.62 -0.08 1.13 2.76 -0.69 -0.05 115.15 119.27 2d5k h HIS 42 Ca -0.01 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.06 2d5k h HIS 42 Cb 1.20 -0.17 0.01 0.00 1.55 0.00 0.00 27.41 30.00 2d5k h HIS 42 CO 0.05 0.24 -0.44 0.28 -1.30 0.00 0.00 177.93 176.76 2d5k h VAL 43 N 0.60 1.40 -0.84 5.26 2.07 -1.45 -3.17 116.25 120.12 2d5k h VAL 43 Ca 0.33 -1.82 0.08 0.00 0.82 0.00 0.00 66.70 66.11 2d5k h VAL 43 Cb 0.32 2.30 -0.07 0.00 -1.52 0.00 0.00 31.29 32.32 2d5k h VAL 43 CO -0.25 0.54 0.50 0.50 0.02 0.00 0.00 177.57 178.88 2d5k h LYS 44 N -0.02 0.84 -0.10 1.57 1.63 -0.69 -0.91 116.57 118.89 2d5k h LYS 44 Ca -0.03 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.65 2d5k h LYS 44 Cb 1.10 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.53 2d5k h LYS 44 CO 0.09 0.55 -0.23 0.74 -3.45 0.00 0.00 179.45 177.16 2d5k h PHE 45 N 0.86 0.17 -0.26 1.91 0.04 -1.08 -1.53 116.94 117.06 2d5k h PHE 45 Ca 0.39 -0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.99 2d5k h PHE 45 Cb 0.29 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 2d5k h PHE 45 CO -0.05 0.38 -0.40 1.49 -0.60 0.00 0.00 178.31 179.14 2d5k h GLU 46 N 0.15 0.72 -0.86 1.51 4.81 -1.18 -1.13 114.58 118.60 2d5k h GLU 46 Ca 0.03 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2d5k h GLU 46 Cb 0.49 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 2d5k h GLU 46 CO 0.03 1.06 0.54 0.93 -0.73 0.00 0.00 179.01 180.84 2d5k h GLU 47 N 0.46 1.15 -0.41 1.92 5.08 -0.93 -1.07 114.58 120.77 2d5k h GLU 47 Ca 0.02 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2d5k h GLU 47 Cb 0.99 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2d5k h GLU 47 CO 0.09 0.78 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.63 2d5k h LEU 48 N 1.18 0.88 -0.82 1.33 3.38 -1.08 -1.87 115.31 118.31 2d5k h LEU 48 Ca 0.31 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2d5k h LEU 48 Cb -0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 2d5k h LEU 48 CO -0.06 1.09 -0.28 0.10 0.09 0.00 0.00 178.44 179.38 2d5k h TYR 49 N 0.68 0.00 -0.38 1.13 -0.00 -0.76 0.04 116.97 117.68 2d5k h TYR 49 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.69 2d5k h TYR 49 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.47 2d5k h TYR 49 CO 0.06 0.28 -0.29 -0.91 -0.00 0.00 0.00 178.16 177.29 2d5k h ASN 50 N 0.00 0.91 -0.59 0.10 2.35 -1.05 -1.23 115.58 116.08 2d5k h ASN 50 Ca -0.00 -0.44 -0.06 0.00 -0.55 0.00 0.00 56.30 55.25 2d5k h ASN 50 Cb 0.90 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 2d5k h ASN 50 CO 0.04 1.16 0.15 -0.08 -1.65 0.00 0.00 177.43 177.05 2d5k h GLU 51 N 0.67 0.97 -0.60 0.81 4.81 -1.00 -2.56 114.58 117.68 2d5k h GLU 51 Ca 0.07 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2d5k h GLU 51 Cb 0.87 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 2d5k h GLU 51 CO 0.08 0.86 0.33 0.00 -0.73 0.00 0.00 179.01 179.54 2d5k h ALA 52 N 1.24 0.77 -0.29 2.92 0.00 -0.60 -2.33 119.26 120.97 2d5k h ALA 52 Ca 0.20 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2d5k h ALA 52 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2d5k h ALA 52 CO -0.00 0.29 -0.01 0.66 0.00 0.00 0.00 179.25 180.18 2d5k h SER 53 N 0.81 0.42 -0.57 0.00 4.64 -0.89 -1.85 113.55 116.10 2d5k h SER 53 Ca 0.21 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.39 2d5k h SER 53 Cb 0.04 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 2d5k h SER 53 CO -0.03 0.49 0.11 1.56 -0.87 0.00 0.00 176.83 178.09 2d5k h GLN 54 N 0.43 0.94 -0.42 4.77 1.08 -1.05 -2.31 115.11 118.55 2d5k h GLN 54 Ca 0.09 -0.24 -0.04 0.00 -1.45 0.00 0.00 58.65 57.01 2d5k h GLN 54 Cb 0.31 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 2d5k h GLN 54 CO 0.01 0.89 0.11 1.88 -0.95 0.00 0.00 178.83 180.77 2d5k h TYR 55 N 0.83 0.69 -0.28 2.96 0.05 -0.95 -1.02 116.97 119.27 2d5k h TYR 55 Ca 0.18 -0.08 0.04 0.00 0.05 0.00 0.00 58.73 58.92 2d5k h TYR 55 Cb 0.39 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.89 2d5k h TYR 55 CO 0.03 0.65 0.02 0.28 -1.05 0.00 0.00 178.16 178.09 2d5k h VAL 56 N 0.54 0.82 -0.43 -2.88 2.07 -1.21 -0.20 116.25 114.96 2d5k h VAL 56 Ca 0.13 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.52 2d5k h VAL 56 Cb 0.30 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2d5k h VAL 56 CO -0.00 0.02 -0.10 -0.78 0.02 0.00 0.00 177.57 176.73 2d5k h ASP 57 N 0.11 0.84 0.13 0.57 3.58 -1.31 -1.59 116.42 118.76 2d5k h ASP 57 Ca 0.13 -0.36 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 2d5k h ASP 57 Cb 0.16 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2d5k h ASP 57 CO -0.20 1.01 -0.06 -0.08 -2.88 0.00 0.00 179.24 177.02 2d5k h GLU 58 N 0.66 -0.17 -0.26 0.28 4.81 -0.86 -1.38 114.58 117.66 2d5k h GLU 58 Ca 0.11 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 2d5k h GLU 58 Cb 0.64 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2d5k h GLU 58 CO 0.04 -0.07 -0.36 -0.07 -0.73 0.00 0.00 179.01 177.81 2d5k h LEU 59 N -0.23 0.60 -0.69 1.64 3.38 -1.08 -2.15 115.31 116.79 2d5k h LEU 59 Ca -0.02 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 2d5k h LEU 59 Cb 0.18 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2d5k h LEU 59 CO 0.03 0.91 0.15 0.00 0.09 0.00 0.00 178.44 179.62 2d5k h ALA 60 N 1.12 0.91 0.00 1.53 0.00 -1.20 -1.64 119.26 119.98 2d5k h ALA 60 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2d5k h ALA 60 Cb 0.85 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2d5k h ALA 60 CO 0.07 0.65 0.00 0.93 0.00 0.00 0.00 179.25 180.90 2d5k h GLU 61 N 1.05 0.00 -0.02 0.00 5.08 -1.11 -2.17 114.58 117.40 2d5k h GLU 61 Ca 0.21 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.31 2d5k h GLU 61 Cb 0.40 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.67 2d5k h GLU 61 CO 0.01 0.00 -1.01 -0.09 -1.00 0.00 0.00 179.01 176.92 2d5k h ARG 62 N 0.00 0.70 -0.65 2.33 9.65 -0.82 -1.24 114.38 124.35 2d5k h ARG 62 Ca 0.00 -0.73 0.03 0.00 -1.10 0.00 0.00 59.98 58.18 2d5k h ARG 62 Cb 0.69 0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 29.43 2d5k h ARG 62 CO 0.00 1.31 0.40 0.82 2.80 0.00 0.00 179.97 185.30 2d5k h ILE 63 N 0.41 1.08 -0.71 1.20 2.04 -0.95 -1.09 117.51 119.48 2d5k h ILE 63 Ca -0.12 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2d5k h ILE 63 Cb 1.66 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2d5k h ILE 63 CO 0.20 0.14 0.31 -0.07 0.00 0.00 0.00 178.15 178.73 2d5k h LEU 64 N 0.79 0.95 -1.40 1.44 3.38 -1.31 0.15 115.31 119.31 2d5k h LEU 64 Ca 0.27 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2d5k h LEU 64 Cb 0.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2d5k h LEU 64 CO -0.11 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.25 2d5k h ALA 65 N 1.31 1.00 -0.34 1.53 0.00 0.03 -1.92 119.26 120.87 2d5k h ALA 65 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2d5k h ALA 65 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2d5k h ALA 65 CO -0.02 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.56 2d5k n VAL 66 N -2.60 1.49 -0.85 0.00 0.24 -0.83 -4.96 118.33 110.81 2d5k n VAL 66 Ca 0.00 -1.31 0.00 0.00 -2.04 0.00 0.00 64.34 60.99 2d5k n VAL 66 Cb 0.19 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 2d5k n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d5k n GLY 67 N 0.20 0.53 3.91 7.63 0.00 -0.72 -5.06 105.19 111.67 2d5k n GLY 67 Ca 0.16 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 2d5k n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d5k n GLY 68 N -2.85 1.30 3.18 -0.02 0.00 0.47 -4.99 105.19 102.28 2d5k n GLY 68 Ca 0.00 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.54 2d5k n GLY 68 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d5k s ASN 69 N -4.84 4.95 0.33 1.61 0.02 -1.26 -4.17 114.94 111.57 2d5k s ASN 69 Ca 0.64 -1.30 -0.28 0.00 -1.02 0.00 0.00 52.86 50.89 2d5k s ASN 69 Cb -0.04 -1.73 -0.10 0.00 0.02 0.00 0.00 41.25 39.40 2d5k s ASN 69 CO 0.41 -0.28 1.20 -2.84 0.02 0.00 0.00 177.10 175.61 2d5k s PRO 70 N 1.26 4.40 -0.12 -0.60 0.02 -1.26 -4.91 135.00 133.78 2d5k s PRO 70 Ca -0.04 1.98 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 2d5k s PRO 70 Cb -0.20 -3.03 -0.06 0.00 0.02 0.00 0.00 34.50 31.23 2d5k s PRO 70 CO -0.01 -0.07 1.97 0.14 -0.33 0.00 0.00 177.00 178.71 2d5k s VAL 71 N -1.21 3.18 -0.24 3.83 -7.23 -1.26 -4.87 120.40 112.60 2d5k s VAL 71 Ca 0.49 0.21 0.12 0.00 -1.81 0.00 0.00 61.98 60.99 2d5k s VAL 71 Cb -0.35 -3.19 0.48 0.00 0.56 0.00 0.00 36.38 33.89 2d5k s VAL 71 CO 0.45 -0.08 1.40 0.61 -0.31 0.00 0.00 175.10 177.17 2d5k n GLY 72 N 5.02 4.72 2.98 2.32 0.00 -1.26 -4.93 105.19 114.03 2d5k n GLY 72 Ca 0.23 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 2d5k n GLY 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d5k s THR 73 N -3.11 0.14 0.31 2.61 -4.23 -1.26 -5.04 115.64 105.06 2d5k s THR 73 Ca 0.42 -0.82 0.03 0.00 -1.18 0.00 0.00 61.69 60.13 2d5k s THR 73 Cb 0.37 -0.26 0.14 0.00 1.34 0.00 0.00 72.50 74.09 2d5k s THR 73 CO 0.02 -0.43 1.83 -0.07 -0.54 0.00 0.00 174.62 175.43 2d5k h LEU 74 N 4.81 0.56 -0.63 4.79 3.38 -1.99 -2.19 115.31 124.03 2d5k h LEU 74 Ca -0.31 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.56 2d5k h LEU 74 Cb 1.21 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2d5k h LEU 74 CO 0.42 0.65 0.40 0.74 0.09 0.00 0.00 178.44 180.74 2d5k h THR 75 N 0.56 1.10 -0.44 0.22 2.02 -1.99 -0.02 112.91 114.36 2d5k h THR 75 Ca 0.12 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.89 2d5k h THR 75 Cb 0.39 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2d5k h THR 75 CO 0.02 0.14 -0.26 -0.33 0.37 0.00 0.00 175.52 175.46 2d5k h GLU 76 N 0.79 0.93 -0.63 6.66 5.08 -1.91 -2.51 114.58 122.99 2d5k h GLU 76 Ca 0.25 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 2d5k h GLU 76 Cb -0.01 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2d5k h GLU 76 CO -0.09 1.07 0.20 0.00 -1.00 0.00 0.00 179.01 179.19 2d5k h LEU 78 N 0.90 0.23 -0.66 0.00 3.38 -0.93 0.65 115.31 118.88 2d5k h LEU 78 Ca 0.20 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2d5k h LEU 78 Cb 0.29 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2d5k h LEU 78 CO -0.01 0.38 -0.53 -0.33 0.09 0.00 0.00 178.44 178.05 2d5k h GLU 79 N 0.23 0.00 0.00 1.13 5.08 -0.99 -3.33 114.58 116.70 2d5k h GLU 79 Ca 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2d5k h GLU 79 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2d5k h GLU 79 CO 0.02 0.53 -1.84 1.04 -1.00 0.00 0.00 179.01 177.75 2d5k n GLN 80 N -3.55 0.61 -2.04 2.33 6.02 -0.87 -5.01 117.38 114.87 2d5k n GLN 80 Ca -0.00 -0.15 -0.41 0.00 -0.01 0.00 0.00 57.00 56.43 2d5k n GLN 80 Cb 0.61 -1.42 -0.02 0.00 1.02 0.00 0.00 30.24 30.44 2d5k n GLN 80 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2d5k s SER 81 N -4.15 6.67 0.00 1.08 0.15 0.18 -4.84 113.70 112.79 2d5k s SER 81 Ca -0.07 2.77 0.24 0.00 0.70 0.00 0.00 55.95 59.60 2d5k s SER 81 Cb 0.11 -2.65 0.31 0.00 -1.71 0.00 0.00 66.02 62.07 2d5k s SER 81 CO 0.73 -0.62 1.33 2.30 1.20 0.00 0.00 173.24 178.18 2d5k n ILE 82 N 0.78 0.06 -3.52 6.45 -5.35 -1.26 -4.85 119.36 111.67 2d5k n ILE 82 Ca 0.00 -0.50 -0.37 0.00 -0.27 0.00 0.00 62.75 61.61 2d5k n ILE 82 Cb 0.41 1.33 -0.08 0.00 -1.74 0.00 0.00 39.64 39.57 2d5k n ILE 82 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2d5k s VAL 83 N -1.94 5.28 0.41 7.28 1.01 -1.26 -5.07 120.40 126.11 2d5k s VAL 83 Ca 0.30 0.52 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 2d5k s VAL 83 Cb 0.20 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 2d5k s VAL 83 CO 0.30 0.34 0.79 -0.54 0.00 0.00 0.00 175.10 175.99 2d5k s LYS 84 N 0.86 3.81 0.63 2.72 1.02 -1.26 -4.90 119.74 122.61 2d5k s LYS 84 Ca 0.15 0.53 -0.14 0.00 0.02 0.00 0.00 55.97 56.54 2d5k s LYS 84 Cb -0.14 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 2d5k s LYS 84 CO 0.05 -0.05 1.05 -1.21 -0.92 0.00 0.00 175.35 174.27 2d5k s GLU 85 N -3.81 3.23 0.37 1.68 2.02 -1.26 -4.92 118.70 116.01 2d5k s GLU 85 Ca 0.52 1.07 -0.28 0.00 0.02 0.00 0.00 54.97 56.30 2d5k s GLU 85 Cb -0.10 -2.03 -0.11 0.00 0.10 0.00 0.00 34.13 31.99 2d5k s GLU 85 CO 0.30 -0.87 1.46 0.00 0.02 0.00 0.00 175.26 176.17 2d5k s ALA 86 N -2.73 3.56 0.72 5.21 0.00 -1.26 -5.02 121.76 122.25 2d5k s ALA 86 Ca 0.61 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.09 2d5k s ALA 86 Cb -0.14 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2d5k s ALA 86 CO 0.44 -0.98 0.00 0.00 0.00 0.00 0.00 175.76 175.22 2d5k n ALA 87 N 0.56 0.00 -2.69 0.00 0.00 -1.26 -5.04 120.51 112.08 2d5k n ALA 87 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.05 2d5k n ALA 87 Cb 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 2d5k n ALA 87 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2d5k s LYS 88 N -2.56 3.18 0.00 0.00 -0.14 -1.26 -4.86 119.74 114.09 2d5k s LYS 88 Ca 0.00 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 53.76 2d5k s LYS 88 Cb 0.00 -3.75 0.00 0.00 -1.68 0.00 0.00 37.83 32.40 2d5k s LYS 88 CO 0.00 -0.56 0.00 0.41 -0.76 0.00 0.00 175.35 174.44 2d5k n GLY 89 N 5.05 -0.09 3.04 -3.33 0.00 -1.26 -5.14 105.19 103.46 2d5k n GLY 89 Ca -0.12 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 2d5k n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d5k s TYR 90 N 0.00 0.54 0.44 1.61 1.51 -1.26 -5.10 117.35 115.09 2d5k s TYR 90 Ca 0.00 -0.53 0.05 0.00 -1.01 0.00 0.00 57.07 55.58 2d5k s TYR 90 Cb 0.00 -0.34 0.01 0.00 -0.11 0.00 0.00 41.96 41.53 2d5k s TYR 90 CO 0.00 -0.13 0.61 -1.54 -1.11 0.00 0.00 175.55 173.39 2d5k s SER 91 N -1.60 5.63 0.21 2.29 1.04 -1.26 -4.84 113.70 115.17 2d5k s SER 91 Ca -0.11 -0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.00 2d5k s SER 91 Cb -0.09 -0.90 0.16 0.00 0.10 0.00 0.00 66.02 65.29 2d5k s SER 91 CO -0.00 -0.79 1.88 0.00 0.98 0.00 0.00 173.24 175.30 2d5k h ALA 92 N 0.52 0.94 -0.77 5.32 0.00 -1.95 -1.70 119.26 121.62 2d5k h ALA 92 Ca -0.42 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2d5k h ALA 92 Cb 1.28 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2d5k h ALA 92 CO 0.49 0.35 0.50 0.93 0.00 0.00 0.00 179.25 181.52 2d5k h GLU 93 N 1.00 0.95 -0.11 0.00 3.07 -1.94 -2.27 114.58 115.27 2d5k h GLU 93 Ca 0.27 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.98 2d5k h GLU 93 Cb -0.10 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.58 2d5k h GLU 93 CO -0.06 0.63 -0.39 1.96 -1.40 0.00 0.00 179.01 179.75 2d5k h GLN 94 N 0.98 0.23 -0.14 2.33 4.20 -1.79 -1.38 115.11 119.55 2d5k h GLN 94 Ca 0.30 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2d5k h GLN 94 Cb -0.02 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 2d5k h GLN 94 CO -0.10 0.59 -0.01 0.52 -0.67 0.00 0.00 178.83 179.16 2d5k h MET 95 N 0.20 0.25 -0.45 1.46 2.86 -0.83 -1.65 114.93 116.76 2d5k h MET 95 Ca 0.02 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 2d5k h MET 95 Cb 0.78 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2d5k h MET 95 CO 0.06 0.50 -0.04 0.28 1.06 0.00 0.00 176.91 178.78 2d5k h VAL 96 N -0.03 1.24 -0.59 -2.22 2.07 -1.33 -1.23 116.25 114.15 2d5k h VAL 96 Ca 0.04 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 2d5k h VAL 96 Cb 0.40 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2d5k h VAL 96 CO 0.01 0.36 0.30 -0.33 0.02 0.00 0.00 177.57 177.93 2d5k h GLU 97 N 0.70 0.84 -0.49 1.57 5.08 -1.15 -0.46 114.58 120.67 2d5k h GLU 97 Ca 0.13 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 2d5k h GLU 97 Cb 0.48 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2d5k h GLU 97 CO 0.02 0.67 -0.20 1.49 -1.00 0.00 0.00 179.01 180.00 2d5k h GLU 98 N 0.81 1.00 -0.63 2.33 4.81 -0.94 -1.29 114.58 120.65 2d5k h GLU 98 Ca 0.21 -0.42 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 2d5k h GLU 98 Cb 0.09 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2d5k h GLU 98 CO -0.03 1.10 0.25 -0.07 -0.73 0.00 0.00 179.01 179.53 2d5k h LEU 99 N 0.85 0.85 -0.51 1.64 3.38 -1.01 0.57 115.31 121.07 2d5k h LEU 99 Ca 0.11 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2d5k h LEU 99 Cb 0.77 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2d5k h LEU 99 CO 0.06 0.76 0.24 -1.28 0.09 0.00 0.00 178.44 178.31 2d5k h SER 100 N 0.91 0.68 -0.27 -0.43 0.87 -0.72 0.15 113.55 114.75 2d5k h SER 100 Ca 0.22 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2d5k h SER 100 Cb 0.18 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 2d5k h SER 100 CO -0.02 0.62 0.17 1.56 -0.53 0.00 0.00 176.83 178.63 2d5k h GLN 101 N 0.69 0.33 -0.38 2.24 1.08 -0.54 0.23 115.11 118.76 2d5k h GLN 101 Ca 0.18 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2d5k h GLN 101 Cb 0.13 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 2d5k h GLN 101 CO -0.02 0.22 0.25 -0.44 -0.95 0.00 0.00 178.83 177.88 2d5k h ASP 102 N 0.34 0.44 -0.12 1.46 3.32 -0.50 -0.57 116.42 120.79 2d5k h ASP 102 Ca 0.10 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 2d5k h ASP 102 Cb -0.02 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2d5k h ASP 102 CO -0.04 0.33 -0.16 -0.26 -1.72 0.00 0.00 179.24 177.40 2d5k h PHE 103 N 0.51 0.54 -0.27 4.55 -1.00 -0.46 0.84 116.94 121.64 2d5k h PHE 103 Ca 0.14 -0.09 -0.04 0.00 2.81 0.00 0.00 57.97 60.79 2d5k h PHE 103 Cb -0.05 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.36 2d5k h PHE 103 CO -0.05 0.63 0.03 1.15 -1.61 0.00 0.00 178.31 178.46 2d5k h THR 104 N 0.45 1.24 -0.60 -1.55 2.02 -0.62 -0.48 112.91 113.38 2d5k h THR 104 Ca 0.08 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 2d5k h THR 104 Cb 0.54 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 2d5k h THR 104 CO 0.03 0.27 0.25 0.78 0.37 0.00 0.00 175.52 177.23 2d5k h ASN 105 N 0.25 0.81 -0.49 4.18 2.35 -0.71 -2.23 115.58 119.73 2d5k h ASN 105 Ca 0.08 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 2d5k h ASN 105 Cb 0.37 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2d5k h ASN 105 CO 0.01 0.74 -0.14 0.40 -1.65 0.00 0.00 177.43 176.79 2d5k h ILE 106 N 0.82 1.27 -0.90 2.81 5.03 -0.77 -1.71 117.51 124.06 2d5k h ILE 106 Ca 0.20 -1.29 0.00 0.00 -0.12 0.00 0.00 64.86 63.65 2d5k h ILE 106 Cb 0.17 1.08 -0.04 0.00 -3.03 0.00 0.00 36.82 35.00 2d5k h ILE 106 CO -0.02 0.45 0.56 -1.28 -0.68 0.00 0.00 178.15 177.18 2d5k h SER 107 N 0.81 1.06 -0.49 1.72 0.87 -0.92 0.25 113.55 116.85 2d5k h SER 107 Ca 0.12 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 2d5k h SER 107 Cb 0.71 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2d5k h SER 107 CO 0.05 0.80 -0.03 0.50 -0.53 0.00 0.00 176.83 177.62 2d5k h LYS 108 N 1.23 0.89 -0.62 2.24 3.64 -1.19 -1.49 116.57 121.27 2d5k h LYS 108 Ca 0.33 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2d5k h LYS 108 Cb -0.09 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 2d5k h LYS 108 CO -0.06 0.94 0.15 0.37 -2.27 0.00 0.00 179.45 178.57 2d5k h GLN 109 N 0.74 0.97 -0.30 1.90 4.15 -0.58 -2.72 115.11 119.27 2d5k h GLN 109 Ca 0.13 -0.21 -0.10 0.00 0.77 0.00 0.00 58.65 59.24 2d5k h GLN 109 Cb 0.56 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2d5k h GLN 109 CO 0.03 0.87 -0.22 -0.07 -1.93 0.00 0.00 178.83 177.50 2d5k h LEU 110 N 0.93 0.58 -0.91 -2.39 3.38 -0.18 -1.23 115.31 115.49 2d5k h LEU 110 Ca 0.20 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2d5k h LEU 110 Cb 0.33 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 2d5k h LEU 110 CO 0.00 0.80 0.58 -0.08 0.09 0.00 0.00 178.44 179.83 2d5k h GLU 111 N 0.51 1.05 -0.19 1.13 4.57 -0.95 0.15 114.58 120.84 2d5k h GLU 111 Ca 0.08 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 58.02 2d5k h GLU 111 Cb 0.67 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2d5k h GLU 111 CO 0.05 0.69 -0.55 -0.97 -1.18 0.00 0.00 179.01 177.05 2d5k h ASN 112 N 1.08 0.82 -0.93 1.04 -1.24 -1.42 -2.85 115.58 112.08 2d5k h ASN 112 Ca 0.38 -0.58 0.01 0.00 0.71 0.00 0.00 56.30 56.82 2d5k h ASN 112 Cb 0.10 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 38.87 2d5k h ASN 112 CO -0.15 1.26 0.61 0.00 -1.29 0.00 0.00 177.43 177.86 2d5k h ALA 113 N 0.58 1.33 -0.56 1.57 0.00 -0.58 -0.35 119.26 121.25 2d5k h ALA 113 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2d5k h ALA 113 Cb 1.17 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2d5k h ALA 113 CO 0.12 0.62 0.26 0.82 0.00 0.00 0.00 179.25 181.07 2d5k h ILE 114 N 1.26 1.21 -0.48 0.00 2.04 -0.69 -0.08 117.51 120.77 2d5k h ILE 114 Ca 0.34 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 2d5k h ILE 114 Cb -0.14 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2d5k h ILE 114 CO -0.07 0.24 0.11 -0.08 0.00 0.00 0.00 178.15 178.35 2d5k h GLU 115 N 0.76 0.78 -0.30 2.37 4.57 -1.12 -1.17 114.58 120.46 2d5k h GLU 115 Ca 0.19 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2d5k h GLU 115 Cb 0.14 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2d5k h GLU 115 CO -0.02 0.76 0.13 0.82 -1.18 0.00 0.00 179.01 179.52 2d5k h ILE 116 N 0.66 1.17 -0.37 2.32 2.04 -0.86 -1.05 117.51 121.42 2d5k h ILE 116 Ca 0.15 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2d5k h ILE 116 Cb 0.34 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2d5k h ILE 116 CO 0.00 0.18 0.20 0.00 0.00 0.00 0.00 178.15 178.54 2d5k h ALA 117 N 0.97 0.48 -0.48 1.87 0.00 -0.90 -1.47 119.26 119.72 2d5k h ALA 117 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2d5k h ALA 117 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2d5k h ALA 117 CO -0.01 0.01 0.29 0.78 0.00 0.00 0.00 179.25 180.32 2d5k h GLY 118 N 0.48 0.70 2.00 0.00 0.00 -1.07 0.38 103.07 105.55 2d5k h GLY 118 Ca 0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 2d5k h GLY 118 CO -0.02 0.28 -0.16 3.43 0.00 0.00 0.00 176.54 180.06 2d5k h ASN 119 N 0.64 0.00 0.39 0.19 2.35 -0.98 -1.85 115.58 116.32 2d5k h ASN 119 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2d5k h ASN 119 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2d5k h ASN 119 CO -0.03 0.16 -0.26 0.00 -1.65 0.00 0.00 177.43 175.65 2d5k n ALA 120 N -2.26 3.05 -0.92 -0.83 0.00 -0.57 -4.58 120.51 114.40 2d5k n ALA 120 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2d5k n ALA 120 Cb 0.31 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2d5k n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d5k n GLY 121 N 1.38 0.50 3.38 0.00 0.00 -0.70 -4.74 105.19 105.00 2d5k n GLY 121 Ca 0.11 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 2d5k n GLY 121 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d5k s ASP 122 N -2.37 7.24 0.45 1.61 -1.08 0.05 -4.82 116.67 117.76 2d5k s ASP 122 Ca 0.00 -3.39 0.25 0.00 -0.52 0.00 0.00 52.55 48.89 2d5k s ASP 122 Cb 0.00 -2.27 0.94 0.00 -1.46 0.00 0.00 42.92 40.13 2d5k s ASP 122 CO 0.00 -0.44 1.83 0.44 0.52 0.00 0.00 175.17 177.52 2d5k h ASP 123 N 6.85 0.00 -0.02 -0.34 3.32 -1.91 -2.05 116.42 122.27 2d5k h ASP 123 Ca 0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2d5k h ASP 123 Cb 0.88 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 2d5k h ASP 123 CO 1.08 0.19 -0.02 0.58 -1.72 0.00 0.00 179.24 179.35 2d5k h VAL 124 N 0.00 1.42 -0.62 -1.35 2.07 -1.95 -1.27 116.25 114.55 2d5k h VAL 124 Ca -0.00 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.18 2d5k h VAL 124 Cb 0.74 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 2d5k h VAL 124 CO 0.03 0.34 0.16 0.28 0.02 0.00 0.00 177.57 178.40 2d5k h SER 125 N -0.48 0.90 -0.31 0.57 0.02 -1.94 -1.54 113.55 110.77 2d5k h SER 125 Ca 0.00 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 2d5k h SER 125 Cb 0.57 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2d5k h SER 125 CO 0.01 0.87 0.12 -0.08 -1.14 0.00 0.00 176.83 176.60 2d5k h GLU 126 N 0.93 0.25 -0.82 3.45 4.81 -1.33 -0.56 114.58 121.31 2d5k h GLU 126 Ca 0.20 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2d5k h GLU 126 Cb 0.31 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2d5k h GLU 126 CO -0.00 0.17 0.46 0.22 -0.73 0.00 0.00 179.01 179.12 2d5k h ASP 127 N 0.26 1.00 -0.57 1.04 3.58 -0.72 -0.90 116.42 120.11 2d5k h ASP 127 Ca 0.14 -0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.42 2d5k h ASP 127 Cb 0.10 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 2d5k h ASP 127 CO -0.14 0.80 -0.01 0.24 -2.88 0.00 0.00 179.24 177.25 2d5k h MET 128 N 1.14 1.03 -0.47 0.28 2.86 -0.62 -0.75 114.93 118.40 2d5k h MET 128 Ca 0.29 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 2d5k h MET 128 Cb 0.00 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2d5k h MET 128 CO -0.05 1.01 -0.07 0.74 1.06 0.00 0.00 176.91 179.60 2d5k h PHE 129 N 0.94 0.90 -0.45 -0.22 0.04 -0.59 -1.75 116.94 115.81 2d5k h PHE 129 Ca 0.17 -0.15 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 2d5k h PHE 129 Cb 0.56 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 2d5k h PHE 129 CO 0.04 0.86 0.08 0.82 -0.60 0.00 0.00 178.31 179.51 2d5k h ILE 130 N 0.75 1.24 -0.66 -0.55 1.08 -0.84 0.15 117.51 118.68 2d5k h ILE 130 Ca 0.13 -0.89 0.01 0.00 -0.39 0.00 0.00 64.86 63.72 2d5k h ILE 130 Cb 0.56 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 2d5k h ILE 130 CO 0.03 0.31 0.44 1.23 -0.69 0.00 0.00 178.15 179.47 2d5k h GLY 131 N 0.61 0.94 0.85 5.37 0.00 -0.90 -0.29 103.07 109.64 2d5k h GLY 131 Ca 0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 2d5k h GLY 131 CO 0.01 0.35 0.03 1.98 0.00 0.00 0.00 176.54 178.91 2d5k h MET 132 N 0.90 0.37 -0.49 4.80 1.85 -1.09 -2.83 114.93 118.43 2d5k h MET 132 Ca 0.24 -0.10 0.01 0.00 -0.61 0.00 0.00 59.70 59.24 2d5k h MET 132 Cb -0.10 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 31.87 2d5k h MET 132 CO -0.05 0.52 0.32 0.37 -0.40 0.00 0.00 176.91 177.67 2d5k h GLN 133 N 0.16 0.63 0.10 0.39 4.15 -0.70 0.34 115.11 120.19 2d5k h GLN 133 Ca 0.07 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.46 2d5k h GLN 133 Cb 0.33 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2d5k h GLN 133 CO 0.01 0.42 -0.14 1.15 -1.93 0.00 0.00 178.83 178.33 2d5k h THR 134 N 0.65 0.67 -0.32 2.39 2.02 -0.82 -0.40 112.91 117.11 2d5k h THR 134 Ca 0.18 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 2d5k h THR 134 Cb -0.07 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2d5k h THR 134 CO -0.04 0.00 -0.02 -1.28 0.37 0.00 0.00 175.52 174.55 2d5k h SER 135 N -0.29 0.58 -0.40 4.18 0.87 -1.23 -2.32 113.55 114.92 2d5k h SER 135 Ca 0.02 -0.33 0.06 0.00 -1.23 0.00 0.00 61.79 60.31 2d5k h SER 135 Cb 0.30 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 2d5k h SER 135 CO -0.07 0.76 0.11 0.58 -0.53 0.00 0.00 176.83 177.68 2d5k h VAL 136 N 0.37 0.83 -0.46 2.23 2.07 -0.79 0.17 116.25 120.66 2d5k h VAL 136 Ca 0.09 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 2d5k h VAL 136 Cb 0.48 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2d5k h VAL 136 CO 0.02 0.05 -0.07 0.44 0.02 0.00 0.00 177.57 178.02 2d5k h ASP 137 N 0.25 0.79 -0.11 0.57 3.32 -1.03 -0.89 116.42 119.31 2d5k h ASP 137 Ca 0.19 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2d5k h ASP 137 Cb 0.21 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2d5k h ASP 137 CO -0.23 0.90 0.02 0.50 -1.72 0.00 0.00 179.24 178.71 2d5k h LYS 138 N 0.73 0.18 -0.87 3.56 3.64 -0.83 -1.93 116.57 121.04 2d5k h LYS 138 Ca 0.13 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2d5k h LYS 138 Cb 0.55 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 2d5k h LYS 138 CO 0.03 0.36 0.52 0.45 -2.27 0.00 0.00 179.45 178.55 2d5k h HIS 139 N -0.03 1.16 -0.94 1.91 3.86 -0.86 -2.43 115.15 117.81 2d5k h HIS 139 Ca 0.03 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2d5k h HIS 139 Cb 0.26 -0.38 -0.05 0.00 1.06 0.00 0.00 27.41 28.31 2d5k h HIS 139 CO 0.01 0.77 0.59 -0.97 0.86 0.00 0.00 177.93 179.19 2d5k h ASN 140 N 1.20 1.11 -0.59 2.45 -1.24 -0.98 0.85 115.58 118.38 2d5k h ASN 140 Ca 0.31 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.28 2d5k h ASN 140 Cb -0.04 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.70 2d5k h ASN 140 CO -0.06 0.83 0.38 -0.25 -1.29 0.00 0.00 177.43 177.05 2d5k h TRP 141 N 1.29 0.76 -0.66 0.67 7.01 -0.89 -0.48 115.95 123.63 2d5k h TRP 141 Ca 0.34 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.33 2d5k h TRP 141 Cb -0.10 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.68 2d5k h TRP 141 CO 0.00 0.49 0.34 0.52 -2.79 0.00 0.00 178.44 177.00 2d5k h MET 142 N 0.81 0.94 -0.13 2.65 2.86 -0.88 -0.31 114.93 120.87 2d5k h MET 142 Ca 0.22 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2d5k h MET 142 Cb -0.07 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.40 2d5k h MET 142 CO -0.05 0.73 0.08 0.74 1.06 0.00 0.00 176.91 179.48 2d5k h PHE 143 N 0.91 0.17 -0.46 -0.22 0.04 -0.42 -0.60 116.94 116.36 2d5k h PHE 143 Ca 0.23 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.98 2d5k h PHE 143 Cb 0.08 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 2d5k h PHE 143 CO -0.00 0.12 0.19 0.87 -0.60 0.00 0.00 178.31 178.89 2d5k h LYS 144 N 0.17 0.66 -0.38 1.51 1.57 -0.84 -1.38 116.57 117.88 2d5k h LYS 144 Ca 0.05 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2d5k h LYS 144 Cb -0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2d5k h LYS 144 CO -0.01 0.54 -0.01 0.77 -0.57 0.00 0.00 179.45 180.16 2d5k h SER 145 N 0.66 0.67 -0.90 0.86 0.02 -0.60 -2.00 113.55 112.25 2d5k h SER 145 Ca 0.16 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2d5k h SER 145 Cb 0.12 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 2d5k h SER 145 CO -0.02 0.82 0.59 0.22 -1.14 0.00 0.00 176.83 177.31 2d5k h TYR 146 N 0.49 1.12 0.00 3.45 3.20 -0.62 -2.57 116.97 122.05 2d5k h TYR 146 Ca 0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2d5k h TYR 146 Cb 0.49 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2d5k h TYR 146 CO 0.04 0.68 0.00 -0.07 -1.64 0.00 0.00 178.16 177.17 2d5k h LEU 147 N 1.19 0.00 -9.81 2.82 3.38 -1.04 -3.46 115.31 108.39 2d5k h LEU 147 Ca 0.34 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.78 2d5k h LEU 147 Cb -0.08 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.76 2d5k h LEU 147 CO -0.09 0.00 0.85 -1.20 0.09 0.00 0.00 178.44 178.09 2d5k n SER 148 N -2.46 3.80 -4.70 -0.43 7.64 -0.77 -4.92 113.62 111.78 2d5k n SER 148 Ca 0.03 1.16 -0.42 0.00 1.01 0.00 0.00 58.87 60.65 2d5k n SER 148 Cb 0.34 -1.59 -0.03 0.00 -1.01 0.00 0.00 64.21 61.92 2d5k n SER 148 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2d5k s LEU 149 N -0.68 4.33 0.00 -3.43 2.96 -1.26 -5.07 118.68 115.53 2d5k s LEU 149 Ca 0.62 2.09 0.26 0.00 -0.22 0.00 0.00 54.13 56.89 2d5k s LEU 149 Cb -0.50 -3.57 0.67 0.00 0.50 0.00 0.00 46.19 43.29 2d5k s LEU 149 CO 0.51 -0.66 1.53 -0.62 -1.32 0.00 0.00 176.35 175.79