#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d5k s SER 3 N 0.00 0.97 0.50 0.00 0.01 -1.26 -5.06 113.70 108.86 2d5k s SER 3 Ca 0.00 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.85 2d5k s SER 3 Cb 0.00 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 2d5k s SER 3 CO 0.00 -0.09 0.02 0.54 0.41 0.00 0.00 173.24 174.12 2d5k s ASN 4 N -1.14 3.96 0.28 2.44 2.20 -1.26 -3.77 114.94 117.64 2d5k s ASN 4 Ca -0.05 -1.68 -0.02 0.00 -0.94 0.00 0.00 52.86 50.17 2d5k s ASN 4 Cb -0.08 0.59 0.44 0.00 -2.00 0.00 0.00 41.25 40.21 2d5k s ASN 4 CO 0.00 -0.90 1.89 -0.61 -2.94 0.00 0.00 177.10 174.55 2d5k h GLN 5 N 1.38 1.11 -0.38 3.55 5.75 -1.97 -1.55 115.11 123.01 2d5k h GLN 5 Ca -0.43 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 57.95 2d5k h GLN 5 Cb 1.31 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 29.59 2d5k h GLN 5 CO 0.71 0.74 -0.01 0.37 -2.65 0.00 0.00 178.83 177.99 2d5k h GLN 6 N 1.15 0.60 -0.68 1.69 5.75 -1.98 -0.97 115.11 120.66 2d5k h GLN 6 Ca 0.42 -0.14 -0.04 0.00 -0.15 0.00 0.00 58.65 58.74 2d5k h GLN 6 Cb 0.16 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 2d5k h GLN 6 CO -0.16 0.63 0.28 -0.44 -2.65 0.00 0.00 178.83 176.48 2d5k h ASP 7 N 0.57 0.92 -0.42 -0.69 3.32 -1.69 -1.11 116.42 117.31 2d5k h ASP 7 Ca 0.12 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 2d5k h ASP 7 Cb 0.38 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2d5k h ASP 7 CO 0.01 0.82 -0.28 0.58 -1.72 0.00 0.00 179.24 178.65 2d5k h VAL 8 N 0.99 1.27 -0.78 -1.35 2.07 -0.96 -2.28 116.25 115.21 2d5k h VAL 8 Ca 0.23 -1.45 0.01 0.00 0.82 0.00 0.00 66.70 66.31 2d5k h VAL 8 Cb 0.18 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2d5k h VAL 8 CO -0.02 0.49 0.52 0.58 0.02 0.00 0.00 177.57 179.16 2d5k h VAL 9 N 0.77 1.20 -0.49 2.57 2.07 -0.71 0.20 116.25 121.87 2d5k h VAL 9 Ca 0.08 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2d5k h VAL 9 Cb 0.87 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2d5k h VAL 9 CO 0.08 0.19 0.22 0.50 0.02 0.00 0.00 177.57 178.58 2d5k h LYS 10 N 1.06 0.71 -0.71 1.57 3.64 -0.96 0.47 116.57 122.35 2d5k h LYS 10 Ca 0.29 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 2d5k h LYS 10 Cb -0.12 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 2d5k h LYS 10 CO -0.06 0.61 0.18 0.93 -2.27 0.00 0.00 179.45 178.84 2d5k h GLU 11 N 0.64 1.13 -0.28 1.90 4.39 -0.72 -0.66 114.58 120.99 2d5k h GLU 11 Ca 0.16 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2d5k h GLU 11 Cb 0.15 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2d5k h GLU 11 CO -0.02 1.00 0.09 -0.07 -1.16 0.00 0.00 179.01 178.85 2d5k h LEU 12 N 1.07 0.40 -1.38 1.33 3.38 -0.28 -2.81 115.31 117.02 2d5k h LEU 12 Ca 0.22 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2d5k h LEU 12 Cb 0.37 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2d5k h LEU 12 CO 0.00 0.48 -0.16 0.78 0.09 0.00 0.00 178.44 179.63 2d5k h ASN 13 N 0.29 0.20 -0.87 -0.43 2.35 -0.68 -1.28 115.58 115.16 2d5k h ASN 13 Ca 0.09 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.82 2d5k h ASN 13 Cb 0.22 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 2d5k h ASN 13 CO -0.00 0.39 0.57 -0.61 -1.65 0.00 0.00 177.43 176.12 2d5k h GLN 14 N 0.20 1.08 -0.04 0.81 5.75 -0.88 -0.02 115.11 122.00 2d5k h GLN 14 Ca 0.04 -0.06 -0.22 0.00 -0.15 0.00 0.00 58.65 58.25 2d5k h GLN 14 Cb 0.41 -0.24 0.01 0.00 1.07 0.00 0.00 27.48 28.73 2d5k h GLN 14 CO 0.03 0.71 -0.89 1.96 -2.65 0.00 0.00 178.83 177.99 2d5k h GLN 15 N 1.11 0.52 -0.83 1.69 1.08 -1.14 -0.51 115.11 117.03 2d5k h GLN 15 Ca 0.34 -0.50 0.01 0.00 -1.45 0.00 0.00 58.65 57.05 2d5k h GLN 15 Cb -0.03 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.49 2d5k h GLN 15 CO -0.11 1.14 0.55 0.28 -0.95 0.00 0.00 178.83 179.74 2d5k h VAL 16 N 0.32 1.21 -0.04 -0.54 2.07 -0.85 -0.31 116.25 118.11 2d5k h VAL 16 Ca -0.07 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2d5k h VAL 16 Cb 1.51 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2d5k h VAL 16 CO 0.16 0.20 0.01 0.00 0.02 0.00 0.00 177.57 177.96 2d5k h ALA 17 N 1.31 0.05 -0.11 1.67 0.00 -0.94 -1.47 119.26 119.77 2d5k h ALA 17 Ca 0.31 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2d5k h ALA 17 Cb -0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2d5k h ALA 17 CO -0.07 -0.30 -0.17 -0.91 0.00 0.00 0.00 179.25 177.80 2d5k h ASN 18 N -0.19 -0.53 1.36 0.00 2.35 -0.71 -2.27 115.58 115.59 2d5k h ASN 18 Ca 0.01 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2d5k h ASN 18 Cb 0.28 0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 2d5k h ASN 18 CO 0.00 -0.22 -0.03 -0.50 -1.65 0.00 0.00 177.43 175.03 2d5k h TRP 19 N -0.23 0.00 -0.21 1.19 4.06 -1.08 -0.16 115.95 119.52 2d5k h TRP 19 Ca 0.09 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.89 2d5k h TRP 19 Cb 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.52 2d5k h TRP 19 CO -0.28 0.03 -0.46 1.15 -3.56 0.00 0.00 178.44 175.32 2d5k h THR 20 N 0.00 1.31 -0.30 1.49 2.02 -0.93 -0.15 112.91 116.36 2d5k h THR 20 Ca -0.00 -1.68 -0.14 0.00 0.77 0.00 0.00 66.41 65.35 2d5k h THR 20 Cb 0.72 1.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.97 2d5k h THR 20 CO 0.00 0.53 -0.37 0.58 0.37 0.00 0.00 175.52 176.63 2d5k h VAL 21 N 0.38 1.29 -0.34 3.16 2.07 -1.25 -3.02 116.25 118.56 2d5k h VAL 21 Ca 0.00 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 2d5k h VAL 21 Cb 1.07 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 2d5k h VAL 21 CO 0.10 0.50 0.12 0.00 0.02 0.00 0.00 177.57 178.31 2d5k h ALA 22 N 0.70 1.59 -0.51 1.67 0.00 -0.99 -1.41 119.26 120.30 2d5k h ALA 22 Ca 0.04 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2d5k h ALA 22 Cb 0.96 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2d5k h ALA 22 CO 0.09 0.32 0.25 -0.92 0.00 0.00 0.00 179.25 178.99 2d5k h TYR 23 N 0.47 0.46 -0.05 0.00 3.20 -0.88 0.16 116.97 120.33 2d5k h TYR 23 Ca 0.12 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.78 2d5k h TYR 23 Cb 0.12 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.27 2d5k h TYR 23 CO 0.00 0.22 -0.89 1.15 -1.64 0.00 0.00 178.16 177.00 2d5k h THR 24 N 0.49 1.33 -0.39 1.81 2.02 -1.43 -2.67 112.91 114.08 2d5k h THR 24 Ca 0.23 -2.22 -0.06 0.00 0.77 0.00 0.00 66.41 65.13 2d5k h THR 24 Cb 0.15 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 2d5k h THR 24 CO -0.17 0.68 -0.00 0.50 0.37 0.00 0.00 175.52 176.90 2d5k h LYS 25 N 0.36 0.62 -0.09 6.66 3.64 -0.90 -0.47 116.57 126.40 2d5k h LYS 25 Ca -0.08 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.06 2d5k h LYS 25 Cb 1.52 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 2d5k h LYS 25 CO 0.17 0.64 -0.39 -0.07 -2.27 0.00 0.00 179.45 177.53 2d5k h LEU 26 N 0.59 0.19 -0.23 5.20 3.38 -0.65 -0.56 115.31 123.22 2d5k h LEU 26 Ca 0.12 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2d5k h LEU 26 Cb 0.38 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2d5k h LEU 26 CO 0.01 0.57 -0.15 0.45 0.09 0.00 0.00 178.44 179.42 2d5k h HIS 27 N 0.16 0.60 -0.33 1.13 3.86 -0.99 -0.35 115.15 119.23 2d5k h HIS 27 Ca 0.02 -0.16 0.05 0.00 -1.16 0.00 0.00 60.37 59.12 2d5k h HIS 27 Cb 0.76 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.05 2d5k h HIS 27 CO 0.01 0.80 0.03 -0.97 0.86 0.00 0.00 177.93 178.67 2d5k h ASN 28 N 0.22 -0.06 -0.41 2.45 -0.73 -0.73 0.12 115.58 116.44 2d5k h ASN 28 Ca 0.05 0.06 -0.08 0.00 1.87 0.00 0.00 56.30 58.20 2d5k h ASN 28 Cb 0.67 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.34 2d5k h ASN 28 CO 0.04 0.01 -0.04 -0.26 -0.37 0.00 0.00 177.43 176.81 2d5k h PHE 29 N 0.14 0.90 -0.94 0.67 0.04 -1.05 0.94 116.94 117.63 2d5k h PHE 29 Ca 0.16 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2d5k h PHE 29 Cb 0.20 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 2d5k h PHE 29 CO -0.21 0.84 0.60 1.25 -0.60 0.00 0.00 178.31 180.20 2d5k h HIS 30 N 0.77 1.20 0.21 -0.55 -0.00 -0.26 -1.32 115.15 115.20 2d5k h HIS 30 Ca 0.14 0.02 -0.30 0.00 -0.00 0.00 0.00 60.37 60.23 2d5k h HIS 30 Cb 0.52 -0.40 0.03 0.00 -0.00 0.00 0.00 27.41 27.55 2d5k h HIS 30 CO 0.03 0.77 -1.37 -1.49 -0.00 0.00 0.00 177.93 175.87 2d5k h TRP 31 N 1.28 0.79 -0.01 5.26 6.55 -0.30 -3.39 115.95 126.14 2d5k h TRP 31 Ca 0.34 -0.58 0.00 0.00 0.95 0.00 0.00 58.89 59.60 2d5k h TRP 31 Cb -0.12 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.15 2d5k h TRP 31 CO 0.00 1.53 -0.39 0.66 -1.05 0.00 0.00 178.44 179.18 2d5k n TYR 32 N -3.81 0.00 -1.78 0.49 4.01 0.28 -4.96 117.16 111.38 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 1.02 -0.13 -0.00 0.00 -0.31 0.00 0.00 39.34 39.91 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 -2.65 2.02 0.26 -0.72 0.11 -0.50 -5.00 120.40 113.92 2d5k s VAL 33 Ca 0.19 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.29 2d5k s VAL 33 Cb 0.18 -3.01 -0.05 0.00 -1.53 0.00 0.00 36.38 31.97 2d5k s VAL 33 CO 0.59 0.00 0.04 -0.54 -3.33 0.00 0.00 175.10 171.87 2d5k s LYS 34 N -1.66 1.42 0.00 1.54 -0.14 -1.26 -4.93 119.74 114.71 2d5k s LYS 34 Ca 0.56 -1.75 0.00 0.00 -1.36 0.00 0.00 55.97 53.42 2d5k s LYS 34 Cb -0.47 -0.55 0.00 0.00 -1.68 0.00 0.00 37.83 35.13 2d5k s LYS 34 CO 0.59 -0.18 0.00 0.41 -0.76 0.00 0.00 175.35 175.41 2d5k n GLY 35 N -0.49 1.22 0.38 -3.33 0.00 -1.26 -4.36 105.19 97.36 2d5k n GLY 35 Ca -0.03 -2.08 0.19 0.00 0.00 0.00 0.00 46.02 44.10 2d5k n GLY 35 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2d5k h PRO 36 N 0.00 0.00 -0.61 1.61 0.11 -2.07 -0.60 132.00 130.44 2d5k h PRO 36 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2d5k h PRO 36 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2d5k h PRO 36 CO 0.00 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.88 2d5k n ASN 37 N -3.51 5.29 -0.14 -2.05 3.02 -1.26 -4.63 115.26 111.98 2d5k n ASN 37 Ca 0.06 -2.72 -0.04 0.00 -0.03 0.00 0.00 54.58 51.85 2d5k n ASN 37 Cb 0.60 -0.64 0.03 0.00 -0.61 0.00 0.00 39.78 39.16 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 4.02 -0.21 -0.56 3.10 3.57 -1.35 -1.88 116.94 123.63 2d5k h PHE 38 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2d5k h PHE 38 Cb 1.74 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 40.62 2d5k h PHE 38 CO 0.94 -0.18 0.31 0.74 -2.23 0.00 0.00 178.31 177.89 2d5k h PHE 39 N 0.01 0.76 -0.04 0.41 0.04 -1.85 0.17 116.94 116.46 2d5k h PHE 39 Ca 0.22 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.97 2d5k h PHE 39 Cb 0.34 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 2d5k h PHE 39 CO -0.38 0.56 -0.00 0.77 -0.60 0.00 0.00 178.31 178.65 2d5k h SER 40 N 0.75 0.07 -0.39 2.17 0.02 -1.85 -3.03 113.55 111.28 2d5k h SER 40 Ca 0.20 -0.34 -0.12 0.00 -0.84 0.00 0.00 61.79 60.68 2d5k h SER 40 Cb 0.04 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2d5k h SER 40 CO -0.03 0.39 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.78 2d5k h LEU 41 N -0.26 0.91 -0.65 5.07 3.38 -1.30 -0.51 115.31 121.95 2d5k h LEU 41 Ca 0.01 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 57.76 2d5k h LEU 41 Cb 0.36 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 2d5k h LEU 41 CO 0.00 1.08 0.26 -0.74 0.09 0.00 0.00 178.44 179.13 2d5k h HIS 42 N 0.78 0.45 0.05 1.13 2.76 -0.68 0.33 115.15 119.95 2d5k h HIS 42 Ca 0.11 0.03 -0.26 0.00 -2.20 0.00 0.00 60.37 58.04 2d5k h HIS 42 Cb 0.75 -0.10 0.02 0.00 1.55 0.00 0.00 27.41 29.63 2d5k h HIS 42 CO 0.04 0.11 -1.06 0.28 -1.30 0.00 0.00 177.93 176.00 2d5k h VAL 43 N 0.44 1.30 -0.93 5.26 2.07 -1.40 -3.19 116.25 119.80 2d5k h VAL 43 Ca 0.33 -2.31 0.03 0.00 0.82 0.00 0.00 66.70 65.57 2d5k h VAL 43 Cb 0.43 2.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.68 2d5k h VAL 43 CO -0.32 0.70 0.61 0.50 0.02 0.00 0.00 177.57 179.08 2d5k h LYS 44 N 0.28 1.17 -0.06 1.57 1.63 -0.54 -1.32 116.57 119.29 2d5k h LYS 44 Ca -0.15 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 59.51 2d5k h LYS 44 Cb 1.73 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 33.09 2d5k h LYS 44 CO 0.21 0.77 -0.31 0.74 -3.45 0.00 0.00 179.45 177.41 2d5k h PHE 45 N 1.21 0.13 -0.23 1.91 0.04 -1.03 -1.66 116.94 117.31 2d5k h PHE 45 Ca 0.36 -0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.94 2d5k h PHE 45 Cb -0.05 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.07 2d5k h PHE 45 CO -0.01 0.42 -0.49 1.49 -0.60 0.00 0.00 178.31 179.11 2d5k h GLU 46 N 0.11 0.75 -0.90 1.51 4.81 -1.34 -1.55 114.58 117.97 2d5k h GLU 46 Ca 0.01 -0.49 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 2d5k h GLU 46 Cb 0.60 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 2d5k h GLU 46 CO 0.04 1.12 0.60 0.93 -0.73 0.00 0.00 179.01 180.96 2d5k h GLU 47 N 0.48 1.18 -0.37 1.92 5.08 -0.95 -0.94 114.58 120.97 2d5k h GLU 47 Ca 0.00 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2d5k h GLU 47 Cb 1.10 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2d5k h GLU 47 CO 0.11 0.78 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.66 2d5k h LEU 48 N 1.21 0.79 -0.89 1.33 3.38 -1.14 -2.01 115.31 117.98 2d5k h LEU 48 Ca 0.33 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2d5k h LEU 48 Cb -0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 2d5k h LEU 48 CO -0.07 1.02 -0.28 0.10 0.09 0.00 0.00 178.44 179.29 2d5k h TYR 49 N 0.56 0.00 -0.37 1.13 -0.00 -0.91 0.11 116.97 117.49 2d5k h TYR 49 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.68 2d5k h TYR 49 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.44 2d5k h TYR 49 CO 0.06 0.28 -0.31 -0.91 -0.00 0.00 0.00 178.16 177.27 2d5k h ASN 50 N 0.00 0.86 -0.02 0.10 2.35 -1.03 -1.18 115.58 116.65 2d5k h ASN 50 Ca -0.00 -0.36 -0.14 0.00 -0.55 0.00 0.00 56.30 55.25 2d5k h ASN 50 Cb 0.87 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2d5k h ASN 50 CO 0.04 1.10 -0.45 -0.08 -1.65 0.00 0.00 177.43 176.39 2d5k h GLU 51 N 0.69 0.57 -0.59 0.81 4.81 -0.99 -2.86 114.58 117.01 2d5k h GLU 51 Ca 0.07 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 2d5k h GLU 51 Cb 0.86 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 2d5k h GLU 51 CO 0.08 0.90 0.33 0.00 -0.73 0.00 0.00 179.01 179.60 2d5k h ALA 52 N 1.05 0.76 -0.28 2.92 0.00 -0.61 -1.93 119.26 121.17 2d5k h ALA 52 Ca 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2d5k h ALA 52 Cb 0.97 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2d5k h ALA 52 CO 0.09 0.27 -0.01 0.66 0.00 0.00 0.00 179.25 180.26 2d5k h SER 53 N 0.80 0.39 -0.44 0.00 4.64 -1.12 -1.10 113.55 116.73 2d5k h SER 53 Ca 0.21 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 2d5k h SER 53 Cb 0.03 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2d5k h SER 53 CO -0.04 0.46 -0.04 1.56 -0.87 0.00 0.00 176.83 177.91 2d5k h GLN 54 N 0.41 0.80 -0.57 4.77 1.08 -1.20 -2.38 115.11 118.02 2d5k h GLN 54 Ca 0.09 -0.28 -0.04 0.00 -1.45 0.00 0.00 58.65 56.97 2d5k h GLN 54 Cb 0.28 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 2d5k h GLN 54 CO 0.01 0.89 0.20 1.88 -0.95 0.00 0.00 178.83 180.86 2d5k h TYR 55 N 0.64 0.89 -0.33 2.96 0.05 -0.77 -0.52 116.97 119.89 2d5k h TYR 55 Ca 0.12 -0.08 0.05 0.00 0.05 0.00 0.00 58.73 58.87 2d5k h TYR 55 Cb 0.55 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.99 2d5k h TYR 55 CO 0.04 0.74 0.08 0.28 -1.05 0.00 0.00 178.16 178.25 2d5k h VAL 56 N 0.79 0.85 -0.41 -2.88 2.07 -1.10 -0.48 116.25 115.10 2d5k h VAL 56 Ca 0.19 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.52 2d5k h VAL 56 Cb 0.24 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2d5k h VAL 56 CO -0.01 0.04 -0.20 -0.78 0.02 0.00 0.00 177.57 176.64 2d5k h ASP 57 N 0.20 0.88 0.16 0.57 3.58 -1.24 -1.48 116.42 119.10 2d5k h ASP 57 Ca 0.16 -0.41 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 2d5k h ASP 57 Cb 0.16 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2d5k h ASP 57 CO -0.20 1.09 -0.08 -0.08 -2.88 0.00 0.00 179.24 177.10 2d5k h GLU 58 N 0.67 -0.21 -0.29 0.28 4.81 -0.77 -1.67 114.58 117.39 2d5k h GLU 58 Ca 0.09 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 2d5k h GLU 58 Cb 0.76 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2d5k h GLU 58 CO 0.06 -0.08 -0.30 -0.07 -0.73 0.00 0.00 179.01 177.89 2d5k h LEU 59 N -0.29 0.63 -0.63 1.64 3.38 -1.13 -2.29 115.31 116.62 2d5k h LEU 59 Ca -0.02 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 2d5k h LEU 59 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2d5k h LEU 59 CO 0.04 0.89 0.18 0.00 0.09 0.00 0.00 178.44 179.64 2d5k h ALA 60 N 1.15 0.82 0.00 1.53 0.00 -1.20 -1.73 119.26 119.84 2d5k h ALA 60 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2d5k h ALA 60 Cb 0.78 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2d5k h ALA 60 CO 0.06 0.51 0.00 0.93 0.00 0.00 0.00 179.25 180.75 2d5k h GLU 61 N 0.91 0.00 -0.13 0.00 5.08 -1.21 -2.23 114.58 116.99 2d5k h GLU 61 Ca 0.20 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.33 2d5k h GLU 61 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.57 2d5k h GLU 61 CO -0.00 0.00 -0.82 -0.09 -1.00 0.00 0.00 179.01 177.09 2d5k h ARG 62 N 0.00 0.79 -0.75 2.33 9.65 -0.95 -1.23 114.38 124.22 2d5k h ARG 62 Ca 0.00 -0.68 0.04 0.00 -1.10 0.00 0.00 59.98 58.24 2d5k h ARG 62 Cb 0.71 0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 29.40 2d5k h ARG 62 CO 0.00 1.27 0.47 0.82 2.80 0.00 0.00 179.97 185.33 2d5k h ILE 63 N 0.53 1.08 -0.77 1.20 2.04 -0.91 -0.93 117.51 119.74 2d5k h ILE 63 Ca -0.07 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 2d5k h ILE 63 Cb 1.46 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2d5k h ILE 63 CO 0.17 0.16 0.33 -0.07 0.00 0.00 0.00 178.15 178.74 2d5k h LEU 64 N 0.90 1.04 -2.22 1.44 3.38 -1.29 0.12 115.31 118.69 2d5k h LEU 64 Ca 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2d5k h LEU 64 Cb 0.06 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2d5k h LEU 64 CO -0.13 0.91 -0.05 0.00 0.09 0.00 0.00 178.44 179.26 2d5k h ALA 65 N 1.17 1.20 -0.59 1.53 0.00 0.05 -1.66 119.26 120.97 2d5k h ALA 65 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2d5k h ALA 65 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2d5k h ALA 65 CO -0.03 0.07 0.00 1.33 0.00 0.00 0.00 179.25 180.62 2d5k n VAL 66 N -3.45 1.18 -0.75 0.00 0.24 -0.72 -4.96 118.33 109.87 2d5k n VAL 66 Ca -0.02 -1.06 0.00 0.00 -2.04 0.00 0.00 64.34 61.22 2d5k n VAL 66 Cb 0.18 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 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 1.17 0.58 3.15 7.63 0.00 -0.62 -5.07 105.19 112.03 2d5k n GLY 67 Ca 0.21 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.75 1.87 3.19 -0.02 0.00 0.38 -4.99 105.19 102.87 2d5k n GLY 68 Ca 0.00 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 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 -3.93 4.73 0.26 1.61 0.02 -1.26 -4.16 114.94 112.21 2d5k s ASN 69 Ca 0.49 -1.12 -0.29 0.00 -1.02 0.00 0.00 52.86 50.92 2d5k s ASN 69 Cb -0.04 -1.71 -0.09 0.00 0.02 0.00 0.00 41.25 39.43 2d5k s ASN 69 CO 0.31 -0.22 1.21 -2.84 0.02 0.00 0.00 177.10 175.59 2d5k s PRO 70 N 1.29 4.49 0.00 -0.60 0.02 -1.26 -4.92 135.00 134.02 2d5k s PRO 70 Ca -0.03 1.97 -0.30 0.00 0.02 0.00 0.00 61.00 62.66 2d5k s PRO 70 Cb -0.19 -3.17 -0.08 0.00 0.02 0.00 0.00 34.50 31.08 2d5k s PRO 70 CO -0.02 -0.03 2.01 1.33 -0.33 0.00 0.00 177.00 179.97 2d5k n VAL 71 N 1.55 0.72 -1.33 3.83 0.24 -1.26 -4.87 118.33 117.21 2d5k n VAL 71 Ca 0.01 -0.19 0.05 0.00 -2.04 0.00 0.00 64.34 62.18 2d5k n VAL 71 Cb 0.44 -2.36 0.19 0.00 -1.47 0.00 0.00 33.84 30.64 2d5k n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d5k n GLY 72 N 4.73 4.87 3.01 7.63 0.00 -1.26 -4.95 105.19 119.23 2d5k n GLY 72 Ca 0.21 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.08 0.25 0.23 2.61 -4.23 -1.26 -5.04 115.64 105.11 2d5k s THR 73 Ca 0.38 -1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 59.84 2d5k s THR 73 Cb 0.35 -0.46 0.04 0.00 1.34 0.00 0.00 72.50 73.77 2d5k s THR 73 CO -0.00 -0.51 1.65 -0.07 -0.54 0.00 0.00 174.62 175.15 2d5k h LEU 74 N 4.48 0.68 -0.60 4.79 3.38 -1.99 -2.37 115.31 123.69 2d5k h LEU 74 Ca -0.33 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.45 2d5k h LEU 74 Cb 1.20 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 2d5k h LEU 74 CO 0.43 0.91 0.31 0.74 0.09 0.00 0.00 178.44 180.92 2d5k h THR 75 N 0.59 0.94 -0.39 0.22 2.02 -1.99 0.74 112.91 115.04 2d5k h THR 75 Ca 0.08 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 2d5k h THR 75 Cb 0.73 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2d5k h THR 75 CO 0.06 0.11 -0.11 -0.33 0.37 0.00 0.00 175.52 175.61 2d5k h GLU 76 N 0.59 0.76 -0.85 6.66 5.08 -1.94 -2.68 114.58 122.19 2d5k h GLU 76 Ca 0.27 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2d5k h GLU 76 Cb 0.19 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2d5k h GLU 76 CO -0.19 0.91 0.45 0.00 -1.00 0.00 0.00 179.01 179.18 2d5k h LEU 78 N 1.20 0.02 -0.16 0.00 3.38 -0.76 -0.36 115.31 118.62 2d5k h LEU 78 Ca 0.30 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.03 2d5k h LEU 78 Cb 0.06 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 2d5k h LEU 78 CO -0.04 0.29 -0.91 -0.33 0.09 0.00 0.00 178.44 177.54 2d5k h GLU 79 N 0.01 0.57 0.05 1.13 5.08 -1.04 -3.37 114.58 117.02 2d5k h GLU 79 Ca 0.00 -0.56 -0.32 0.00 -1.00 0.00 0.00 59.36 57.48 2d5k h GLU 79 Cb 0.48 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2d5k h GLU 79 CO 0.04 1.18 -1.83 1.04 -1.00 0.00 0.00 179.01 178.43 2d5k n GLN 80 N -3.83 0.68 -1.71 2.33 6.02 -0.86 -4.98 117.38 115.03 2d5k n GLN 80 Ca -0.08 0.28 -0.43 0.00 -0.01 0.00 0.00 57.00 56.76 2d5k n GLN 80 Cb 0.81 -1.76 -0.02 0.00 1.02 0.00 0.00 30.24 30.29 2d5k n GLN 80 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2d5k n SER 81 N -3.21 3.36 -0.25 1.08 2.88 -0.16 -4.89 113.62 112.42 2d5k n SER 81 Ca -0.23 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 58.58 2d5k n SER 81 Cb 1.05 -1.51 0.34 0.00 -0.75 0.00 0.00 64.21 63.33 2d5k n SER 81 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2d5k n ILE 82 N 2.18 0.00 -3.25 2.46 -5.35 -1.26 -4.74 119.36 109.40 2d5k n ILE 82 Ca 0.11 -0.13 -0.39 0.00 -0.27 0.00 0.00 62.75 62.06 2d5k n ILE 82 Cb 0.34 0.46 -0.07 0.00 -1.74 0.00 0.00 39.64 38.63 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 -2.54 5.09 0.28 7.28 1.01 -1.26 -5.06 120.40 125.20 2d5k s VAL 83 Ca 0.23 0.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.07 2d5k s VAL 83 Cb 0.19 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 2d5k s VAL 83 CO 0.54 0.13 0.51 -0.54 0.00 0.00 0.00 175.10 175.74 2d5k s LYS 84 N 1.98 3.57 0.72 2.72 -0.14 -1.26 -4.84 119.74 122.49 2d5k s LYS 84 Ca 0.22 -0.15 -0.14 0.00 -1.36 0.00 0.00 55.97 54.54 2d5k s LYS 84 Cb -0.15 -2.70 0.03 0.00 -1.68 0.00 0.00 37.83 33.32 2d5k s LYS 84 CO 0.09 0.25 1.13 -1.21 -0.76 0.00 0.00 175.35 174.85 2d5k s GLU 85 N -3.63 2.41 0.25 1.68 2.02 -1.26 -4.95 118.70 115.21 2d5k s GLU 85 Ca 0.42 1.44 -0.30 0.00 0.02 0.00 0.00 54.97 56.55 2d5k s GLU 85 Cb -0.11 -1.90 -0.09 0.00 0.10 0.00 0.00 34.13 32.13 2d5k s GLU 85 CO 0.31 -1.57 1.31 0.00 0.02 0.00 0.00 175.26 175.33 2d5k s ALA 86 N -2.39 3.52 1.00 5.21 0.00 -1.26 -5.04 121.76 122.80 2d5k s ALA 86 Ca 0.67 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2d5k s ALA 86 Cb -0.22 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2d5k s ALA 86 CO 0.46 -0.57 0.00 0.00 0.00 0.00 0.00 175.76 175.66 2d5k n ALA 87 N 1.94 0.00 -2.50 0.00 0.00 -1.26 -5.07 120.51 113.61 2d5k n ALA 87 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.16 2d5k n ALA 87 Cb 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.47 2.30 0.00 0.00 1.02 -1.26 -4.73 119.74 115.60 2d5k s LYS 88 Ca 0.00 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.14 2d5k s LYS 88 Cb 0.00 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 2d5k s LYS 88 CO 0.00 0.57 0.00 0.41 -0.92 0.00 0.00 175.35 175.41 2d5k n GLY 89 N 1.70 0.51 3.76 -3.33 0.00 -1.26 -5.04 105.19 101.53 2d5k n GLY 89 Ca -0.16 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.00 3.00 0.58 1.61 2.02 -1.26 -5.03 117.35 116.26 2d5k s TYR 90 Ca 0.00 1.26 -0.04 0.00 -0.37 0.00 0.00 57.07 57.92 2d5k s TYR 90 Cb 0.00 -3.76 0.02 0.00 -0.40 0.00 0.00 41.96 37.82 2d5k s TYR 90 CO 0.00 -2.23 0.86 -1.54 -1.57 0.00 0.00 175.55 171.07 2d5k s SER 91 N -0.16 5.50 0.23 2.29 1.04 -1.26 -4.83 113.70 116.51 2d5k s SER 91 Ca 0.53 0.53 -0.06 0.00 0.48 0.00 0.00 55.95 57.42 2d5k s SER 91 Cb -0.41 -1.51 0.34 0.00 0.10 0.00 0.00 66.02 64.54 2d5k s SER 91 CO 0.51 -1.07 1.79 0.00 0.98 0.00 0.00 173.24 175.44 2d5k h ALA 92 N -0.10 1.01 -0.67 5.32 0.00 -1.95 -1.08 119.26 121.80 2d5k h ALA 92 Ca -0.45 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2d5k h ALA 92 Cb 1.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2d5k h ALA 92 CO 0.59 -0.01 0.37 1.49 0.00 0.00 0.00 179.25 181.69 2d5k h GLU 93 N 0.64 0.93 -0.12 0.00 4.81 -1.93 -2.22 114.58 116.69 2d5k h GLU 93 Ca 0.36 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.41 2d5k h GLU 93 Cb 0.36 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2d5k h GLU 93 CO -0.26 0.69 -0.27 1.96 -0.73 0.00 0.00 179.01 180.40 2d5k h GLN 94 N 0.91 0.22 -0.13 1.92 4.20 -1.69 -0.49 115.11 120.06 2d5k h GLN 94 Ca 0.24 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 2d5k h GLN 94 Cb 0.03 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2d5k h GLN 94 CO -0.04 0.49 -0.02 0.52 -0.67 0.00 0.00 178.83 179.11 2d5k h MET 95 N 0.20 0.24 -0.54 1.46 2.86 -0.79 -0.71 114.93 117.65 2d5k h MET 95 Ca 0.03 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 2d5k h MET 95 Cb 0.59 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2d5k h MET 95 CO 0.04 0.51 -0.03 0.28 1.06 0.00 0.00 176.91 178.77 2d5k h VAL 96 N -0.05 1.26 -0.64 -2.22 2.07 -1.27 -0.74 116.25 114.66 2d5k h VAL 96 Ca 0.03 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 2d5k h VAL 96 Cb 0.41 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2d5k h VAL 96 CO 0.01 0.41 0.39 -0.33 0.02 0.00 0.00 177.57 178.06 2d5k h GLU 97 N 0.87 0.87 -0.40 1.57 5.08 -0.97 0.51 114.58 122.11 2d5k h GLU 97 Ca 0.16 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 2d5k h GLU 97 Cb 0.55 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2d5k h GLU 97 CO 0.03 0.62 -0.34 1.49 -1.00 0.00 0.00 179.01 179.82 2d5k h GLU 98 N 0.87 0.93 -0.63 2.33 4.81 -0.83 -1.76 114.58 120.30 2d5k h GLU 98 Ca 0.23 -0.47 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 2d5k h GLU 98 Cb -0.02 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2d5k h GLU 98 CO -0.04 1.13 0.20 -0.07 -0.73 0.00 0.00 179.01 179.50 2d5k h LEU 99 N 0.76 0.88 -0.61 1.64 3.38 -0.90 -0.06 115.31 120.40 2d5k h LEU 99 Ca 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2d5k h LEU 99 Cb 0.93 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2d5k h LEU 99 CO 0.09 0.82 0.28 -1.28 0.09 0.00 0.00 178.44 178.44 2d5k h SER 100 N 0.92 0.81 -0.58 -0.43 0.87 -0.65 0.84 113.55 115.33 2d5k h SER 100 Ca 0.21 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 2d5k h SER 100 Cb 0.25 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2d5k h SER 100 CO -0.01 0.73 0.08 -0.61 -0.53 0.00 0.00 176.83 176.49 2d5k h GLN 101 N 0.84 0.97 -0.43 2.24 5.75 -0.78 -0.38 115.11 123.32 2d5k h GLN 101 Ca 0.21 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2d5k h GLN 101 Cb 0.14 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 2d5k h GLN 101 CO -0.02 0.93 0.26 -0.44 -2.65 0.00 0.00 178.83 176.91 2d5k h ASP 102 N 0.86 0.51 -0.24 -0.69 3.32 -0.58 -0.22 116.42 119.39 2d5k h ASP 102 Ca 0.17 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 2d5k h ASP 102 Cb 0.44 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2d5k h ASP 102 CO 0.01 0.41 -0.05 -0.26 -1.72 0.00 0.00 179.24 177.63 2d5k h PHE 103 N 0.57 0.62 -0.21 4.55 -1.00 -0.62 0.14 116.94 120.99 2d5k h PHE 103 Ca 0.15 -0.08 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 2d5k h PHE 103 Cb -0.01 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.37 2d5k h PHE 103 CO -0.04 0.63 0.07 1.15 -1.61 0.00 0.00 178.31 178.52 2d5k h THR 104 N 0.55 1.19 -0.50 -1.55 2.02 -0.59 0.20 112.91 114.23 2d5k h THR 104 Ca 0.11 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 2d5k h THR 104 Cb 0.43 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2d5k h THR 104 CO 0.02 0.18 0.26 0.78 0.37 0.00 0.00 175.52 177.13 2d5k h ASN 105 N 0.17 0.64 -0.68 4.18 2.35 -0.62 -2.05 115.58 119.57 2d5k h ASN 105 Ca 0.07 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 2d5k h ASN 105 Cb 0.22 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 2d5k h ASN 105 CO -0.00 0.57 0.16 0.40 -1.65 0.00 0.00 177.43 176.90 2d5k h ILE 106 N 0.66 1.26 -0.60 2.81 2.04 -0.60 -1.56 117.51 121.52 2d5k h ILE 106 Ca 0.17 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 2d5k h ILE 106 Cb 0.08 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2d5k h ILE 106 CO -0.03 0.37 0.24 -1.28 0.00 0.00 0.00 178.15 177.45 2d5k h SER 107 N 1.02 0.81 -0.48 1.72 0.87 -0.73 0.17 113.55 116.93 2d5k h SER 107 Ca 0.21 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.57 2d5k h SER 107 Cb 0.38 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2d5k h SER 107 CO 0.00 0.73 -0.08 0.50 -0.53 0.00 0.00 176.83 177.45 2d5k h LYS 108 N 0.87 0.89 -0.72 2.24 3.64 -0.99 -1.55 116.57 120.95 2d5k h LYS 108 Ca 0.21 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 2d5k h LYS 108 Cb 0.18 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2d5k h LYS 108 CO -0.02 0.97 0.24 1.96 -2.27 0.00 0.00 179.45 180.33 2d5k h GLN 109 N 0.74 1.10 -0.26 1.90 4.20 -0.71 -2.77 115.11 119.31 2d5k h GLN 109 Ca 0.12 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 2d5k h GLN 109 Cb 0.62 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2d5k h GLN 109 CO 0.04 0.93 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.92 2d5k h LEU 110 N 1.06 0.42 -0.79 1.46 3.38 -0.68 0.66 115.31 120.83 2d5k h LEU 110 Ca 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2d5k h LEU 110 Cb 0.27 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2d5k h LEU 110 CO -0.01 0.59 0.44 -0.08 0.09 0.00 0.00 178.44 179.47 2d5k h GLU 111 N 0.41 1.10 -0.21 1.13 4.57 -1.00 0.12 114.58 120.69 2d5k h GLU 111 Ca 0.08 -0.12 -0.16 0.00 -1.18 0.00 0.00 59.36 57.97 2d5k h GLU 111 Cb 0.48 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2d5k h GLU 111 CO 0.03 0.81 -0.49 -0.97 -1.18 0.00 0.00 179.01 177.21 2d5k h ASN 112 N 1.10 0.80 -0.63 1.04 -1.24 -1.34 -2.92 115.58 112.39 2d5k h ASN 112 Ca 0.28 -0.56 -0.01 0.00 0.71 0.00 0.00 56.30 56.72 2d5k h ASN 112 Cb 0.02 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.81 2d5k h ASN 112 CO -0.05 1.21 0.35 0.00 -1.29 0.00 0.00 177.43 177.66 2d5k h ALA 113 N 0.61 1.40 -0.56 1.57 0.00 -0.47 -0.79 119.26 121.01 2d5k h ALA 113 Ca -0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2d5k h ALA 113 Cb 1.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2d5k h ALA 113 CO 0.11 0.49 0.11 0.82 0.00 0.00 0.00 179.25 180.78 2d5k h ILE 114 N 0.90 1.25 -0.37 0.00 2.04 -0.74 -0.75 117.51 119.84 2d5k h ILE 114 Ca 0.23 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 2d5k h ILE 114 Cb 0.02 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2d5k h ILE 114 CO -0.04 0.34 0.05 -0.08 0.00 0.00 0.00 178.15 178.42 2d5k h GLU 115 N 0.81 0.62 -0.07 2.37 4.57 -1.23 -1.08 114.58 120.58 2d5k h GLU 115 Ca 0.17 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2d5k h GLU 115 Cb 0.38 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2d5k h GLU 115 CO 0.01 0.70 0.02 0.82 -1.18 0.00 0.00 179.01 179.38 2d5k h ILE 116 N 0.46 0.99 -0.55 2.32 1.08 -1.00 -0.71 117.51 120.09 2d5k h ILE 116 Ca 0.11 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.55 2d5k h ILE 116 Cb 0.39 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 2d5k h ILE 116 CO 0.01 0.01 0.30 0.00 -0.69 0.00 0.00 178.15 177.79 2d5k h ALA 117 N 1.04 0.70 -0.56 1.87 0.00 -1.06 -1.00 119.26 120.25 2d5k h ALA 117 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2d5k h ALA 117 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2d5k h ALA 117 CO -0.03 0.22 0.32 0.78 0.00 0.00 0.00 179.25 180.54 2d5k h GLY 118 N 0.74 0.82 2.00 0.00 0.00 -0.99 -0.39 103.07 105.24 2d5k h GLY 118 Ca 0.19 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 2d5k h GLY 118 CO -0.03 0.34 -0.17 3.43 0.00 0.00 0.00 176.54 180.12 2d5k h ASN 119 N 0.75 0.00 0.58 0.19 2.35 -0.83 -2.25 115.58 116.37 2d5k h ASN 119 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2d5k h ASN 119 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2d5k h ASN 119 CO -0.03 0.17 -0.31 0.00 -1.65 0.00 0.00 177.43 175.60 2d5k n ALA 120 N -2.22 3.11 -0.88 -0.83 0.00 -0.41 -4.49 120.51 114.79 2d5k n ALA 120 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2d5k n ALA 120 Cb 0.35 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.46 0.55 3.42 0.00 0.00 -0.79 -4.74 105.19 105.08 2d5k n GLY 121 Ca 0.08 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.10 7.12 0.40 1.61 -1.08 -0.23 -4.80 116.67 117.60 2d5k s ASP 122 Ca 0.00 -3.13 0.21 0.00 -0.52 0.00 0.00 52.55 49.10 2d5k s ASP 122 Cb 0.00 -2.33 0.74 0.00 -1.46 0.00 0.00 42.92 39.87 2d5k s ASP 122 CO 0.00 -0.61 1.75 0.44 0.52 0.00 0.00 175.17 177.28 2d5k h ASP 123 N 7.11 0.00 0.12 -0.34 3.32 -1.91 -2.04 116.42 122.68 2d5k h ASP 123 Ca 0.26 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 2d5k h ASP 123 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2d5k h ASP 123 CO 1.14 0.32 -0.06 0.58 -1.72 0.00 0.00 179.24 179.50 2d5k h VAL 124 N 0.00 1.06 -0.81 -1.35 2.07 -1.95 -1.27 116.25 114.01 2d5k h VAL 124 Ca -0.00 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2d5k h VAL 124 Cb 0.86 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 2d5k h VAL 124 CO 0.04 0.21 0.45 0.28 0.02 0.00 0.00 177.57 178.57 2d5k h SER 125 N -0.59 0.99 -0.44 0.57 0.02 -1.95 -1.50 113.55 110.66 2d5k h SER 125 Ca -0.02 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 60.89 2d5k h SER 125 Cb 0.46 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 2d5k h SER 125 CO 0.03 0.79 0.21 -0.08 -1.14 0.00 0.00 176.83 176.64 2d5k h GLU 126 N 1.12 0.41 -0.66 3.45 4.81 -1.31 -0.66 114.58 121.75 2d5k h GLU 126 Ca 0.29 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 2d5k h GLU 126 Cb 0.01 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2d5k h GLU 126 CO -0.05 0.27 0.28 0.22 -0.73 0.00 0.00 179.01 179.00 2d5k h ASP 127 N 0.43 0.88 -0.54 1.04 3.58 -0.55 -1.12 116.42 120.13 2d5k h ASP 127 Ca 0.19 -0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 2d5k h ASP 127 Cb 0.10 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2d5k h ASP 127 CO -0.14 0.77 0.02 0.24 -2.88 0.00 0.00 179.24 177.26 2d5k h MET 128 N 0.95 0.95 -0.57 0.28 2.86 -0.57 -1.36 114.93 117.47 2d5k h MET 128 Ca 0.22 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 2d5k h MET 128 Cb 0.16 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2d5k h MET 128 CO -0.02 0.95 0.10 0.74 1.06 0.00 0.00 176.91 179.73 2d5k h PHE 129 N 0.83 0.94 -0.61 -0.22 0.04 -0.68 -1.71 116.94 115.53 2d5k h PHE 129 Ca 0.16 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 2d5k h PHE 129 Cb 0.51 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2d5k h PHE 129 CO 0.04 0.81 0.08 0.82 -0.60 0.00 0.00 178.31 179.46 2d5k h ILE 130 N 0.86 1.26 -0.74 -0.55 2.04 -0.92 0.17 117.51 119.63 2d5k h ILE 130 Ca 0.18 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.95 2d5k h ILE 130 Cb 0.37 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2d5k h ILE 130 CO 0.01 0.38 0.21 1.23 0.00 0.00 0.00 178.15 179.97 2d5k h GLY 131 N 0.92 1.24 0.85 5.37 0.00 -0.97 -0.91 103.07 109.57 2d5k h GLY 131 Ca 0.18 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 2d5k h GLY 131 CO 0.01 0.70 -0.03 1.98 0.00 0.00 0.00 176.54 179.21 2d5k h MET 132 N 1.10 0.46 -0.38 4.80 1.85 -1.05 -2.87 114.93 118.85 2d5k h MET 132 Ca 0.23 -0.16 -0.01 0.00 -0.61 0.00 0.00 59.70 59.15 2d5k h MET 132 Cb 0.34 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.31 2d5k h MET 132 CO -0.00 0.66 0.18 0.37 -0.40 0.00 0.00 176.91 177.71 2d5k h GLN 133 N 0.22 0.52 0.19 0.39 4.15 -0.77 0.33 115.11 120.14 2d5k h GLN 133 Ca 0.07 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2d5k h GLN 133 Cb 0.47 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 2d5k h GLN 133 CO 0.02 0.41 -0.16 1.15 -1.93 0.00 0.00 178.83 178.32 2d5k h THR 134 N 0.53 0.64 -0.35 2.39 2.02 -0.97 0.45 112.91 117.62 2d5k h THR 134 Ca 0.13 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.16 2d5k h THR 134 Cb 0.06 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2d5k h THR 134 CO -0.02 0.00 -0.40 0.77 0.37 0.00 0.00 175.52 176.24 2d5k h SER 135 N -0.37 0.93 -0.36 4.18 4.64 -1.24 -1.98 113.55 119.33 2d5k h SER 135 Ca -0.01 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2d5k h SER 135 Cb 0.34 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 2d5k h SER 135 CO -0.02 1.21 0.24 0.58 -0.87 0.00 0.00 176.83 177.97 2d5k h VAL 136 N 0.71 1.09 -0.61 0.95 2.07 -0.80 -0.05 116.25 119.60 2d5k h VAL 136 Ca 0.05 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 2d5k h VAL 136 Cb 0.98 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2d5k h VAL 136 CO 0.09 0.09 0.05 0.44 0.02 0.00 0.00 177.57 178.26 2d5k h ASP 137 N 0.49 1.01 -0.07 0.57 3.32 -0.87 -0.89 116.42 119.97 2d5k h ASP 137 Ca 0.13 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2d5k h ASP 137 Cb -0.06 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 2d5k h ASP 137 CO -0.03 1.03 0.03 0.50 -1.72 0.00 0.00 179.24 179.05 2d5k h LYS 138 N 0.96 0.10 -0.66 3.56 3.64 -1.00 -1.68 116.57 121.49 2d5k h LYS 138 Ca 0.18 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2d5k h LYS 138 Cb 0.49 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 2d5k h LYS 138 CO 0.02 0.20 0.27 0.45 -2.27 0.00 0.00 179.45 178.12 2d5k h HIS 139 N -0.02 0.96 -0.74 1.91 3.86 -0.89 -2.52 115.15 117.70 2d5k h HIS 139 Ca 0.02 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 2d5k h HIS 139 Cb 0.13 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 2d5k h HIS 139 CO -0.03 0.73 0.26 -0.97 0.86 0.00 0.00 177.93 178.78 2d5k h ASN 140 N 0.94 1.05 -0.68 2.45 -1.24 -0.92 -0.06 115.58 117.12 2d5k h ASN 140 Ca 0.22 -0.18 0.02 0.00 0.71 0.00 0.00 56.30 57.07 2d5k h ASN 140 Cb 0.16 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.90 2d5k h ASN 140 CO -0.02 0.96 0.44 -0.25 -1.29 0.00 0.00 177.43 177.27 2d5k h TRP 141 N 1.10 0.84 -0.60 0.67 7.01 -0.90 -0.67 115.95 123.38 2d5k h TRP 141 Ca 0.24 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.24 2d5k h TRP 141 Cb 0.26 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.02 2d5k h TRP 141 CO 0.02 0.51 0.28 0.52 -2.79 0.00 0.00 178.44 176.98 2d5k h MET 142 N 0.89 0.88 -0.26 2.65 2.86 -0.97 -0.99 114.93 119.99 2d5k h MET 142 Ca 0.26 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2d5k h MET 142 Cb -0.06 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 2d5k h MET 142 CO -0.08 0.72 0.17 0.74 1.06 0.00 0.00 176.91 179.52 2d5k h PHE 143 N 0.83 0.34 -0.40 -0.22 0.04 -0.44 -0.29 116.94 116.80 2d5k h PHE 143 Ca 0.21 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.95 2d5k h PHE 143 Cb 0.14 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 2d5k h PHE 143 CO 0.00 0.23 0.13 0.87 -0.60 0.00 0.00 178.31 178.94 2d5k h LYS 144 N 0.35 0.58 -0.29 1.51 1.57 -0.94 -0.96 116.57 118.38 2d5k h LYS 144 Ca 0.10 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 2d5k h LYS 144 Cb -0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2d5k h LYS 144 CO -0.02 0.51 -0.46 0.77 -0.57 0.00 0.00 179.45 179.68 2d5k h SER 145 N 0.58 0.84 -0.68 0.86 0.02 -0.70 0.75 113.55 115.22 2d5k h SER 145 Ca 0.14 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 2d5k h SER 145 Cb 0.17 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 2d5k h SER 145 CO -0.01 1.17 0.30 0.22 -1.14 0.00 0.00 176.83 177.37 2d5k h TYR 146 N 0.62 1.03 0.00 3.45 5.03 -0.45 -2.78 116.97 123.86 2d5k h TYR 146 Ca 0.04 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2d5k h TYR 146 Cb 1.03 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 39.00 2d5k h TYR 146 CO 0.06 0.77 -0.20 -0.07 -1.32 0.00 0.00 178.16 177.40 2d5k h LEU 147 N 1.00 0.00 0.00 2.82 3.38 -0.91 -3.52 115.31 118.09 2d5k h LEU 147 Ca 0.24 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2d5k h LEU 147 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2d5k h LEU 147 CO -0.02 0.02 0.00 -0.24 0.09 0.00 0.00 178.44 178.28