#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d5z s LEU 3 N 0.00 4.45 0.86 0.27 1.02 -1.26 -5.09 118.68 118.93 2d5z s LEU 3 Ca 0.00 1.06 -0.12 0.00 0.02 0.00 0.00 54.13 55.09 2d5z s LEU 3 Cb 0.00 -2.75 0.11 0.00 0.02 0.00 0.00 46.19 43.57 2d5z s LEU 3 CO 0.00 0.23 1.10 0.42 0.02 0.00 0.00 176.35 178.12 2d5z s THR 4 N -0.69 2.73 0.24 5.49 -4.23 -1.26 -4.75 115.64 113.17 2d5z s THR 4 Ca 0.27 0.24 -0.06 0.00 -1.18 0.00 0.00 61.69 60.95 2d5z s THR 4 Cb -0.18 -2.86 0.21 0.00 1.34 0.00 0.00 72.50 71.01 2d5z s THR 4 CO 0.15 -0.31 1.87 -0.65 -0.54 0.00 0.00 174.62 175.14 2d5z h PRO 5 N -1.37 1.00 -0.96 3.99 0.11 -1.99 -0.05 132.00 132.73 2d5z h PRO 5 Ca -0.49 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.58 2d5z h PRO 5 Cb 1.29 -0.23 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 2d5z h PRO 5 CO 0.58 0.66 0.64 0.93 -0.21 0.00 0.00 178.00 180.59 2d5z h GLU 6 N 1.03 1.25 -0.26 1.05 5.08 -1.99 -1.70 114.58 119.03 2d5z h GLU 6 Ca 0.36 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2d5z h GLU 6 Cb 0.09 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2d5z h GLU 6 CO -0.14 0.83 0.05 0.93 -1.00 0.00 0.00 179.01 179.68 2d5z h GLU 7 N 1.29 0.43 -0.93 2.33 5.08 -1.73 -1.17 114.58 119.88 2d5z h GLU 7 Ca 0.36 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.68 2d5z h GLU 7 Cb -0.12 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.01 2d5z h GLU 7 CO -0.09 0.54 0.59 0.87 -1.00 0.00 0.00 179.01 179.92 2d5z h LYS 8 N 0.25 1.02 -0.48 2.33 1.57 -0.82 -0.46 116.57 119.98 2d5z h LYS 8 Ca 0.08 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 2d5z h LYS 8 Cb 0.31 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2d5z h LYS 8 CO 0.00 0.67 -0.18 0.77 -0.57 0.00 0.00 179.45 180.14 2d5z h SER 9 N 1.05 0.96 -0.63 0.86 0.02 -1.09 -1.93 113.55 112.79 2d5z h SER 9 Ca 0.41 -0.34 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 2d5z h SER 9 Cb 0.21 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2d5z h SER 9 CO -0.18 1.12 0.15 0.00 -1.14 0.00 0.00 176.83 176.77 2d5z h ALA 10 N 0.96 0.83 -0.03 3.77 0.00 -0.71 -1.34 119.26 122.73 2d5z h ALA 10 Ca 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2d5z h ALA 10 Cb 0.74 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2d5z h ALA 10 CO 0.06 0.54 0.01 0.28 0.00 0.00 0.00 179.25 180.15 2d5z h VAL 11 N 0.92 1.13 -0.56 0.00 2.07 -0.91 -2.34 116.25 116.56 2d5z h VAL 11 Ca 0.20 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.35 2d5z h VAL 11 Cb 0.36 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2d5z h VAL 11 CO 0.00 0.10 0.37 0.74 0.02 0.00 0.00 177.57 178.81 2d5z h THR 12 N -0.10 1.14 -0.33 2.57 2.02 -1.33 -1.29 112.91 115.59 2d5z h THR 12 Ca 0.01 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 2d5z h THR 12 Cb 0.15 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2d5z h THR 12 CO -0.00 0.14 0.08 0.00 0.37 0.00 0.00 175.52 176.10 2d5z h ALA 13 N 1.21 0.43 -0.50 6.16 0.00 -1.18 -1.83 119.26 123.56 2d5z h ALA 13 Ca 0.21 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2d5z h ALA 13 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2d5z h ALA 13 CO -0.05 0.10 0.01 1.25 0.00 0.00 0.00 179.25 180.57 2d5z h LEU 14 N 0.38 0.85 -1.79 0.00 5.85 -1.34 -2.97 115.31 116.29 2d5z h LEU 14 Ca 0.10 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 2d5z h LEU 14 Cb 0.30 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2d5z h LEU 14 CO 0.00 0.94 -0.15 -0.25 -0.34 0.00 0.00 178.44 178.64 2d5z h TRP 15 N 0.73 0.00 -0.24 1.25 2.91 -1.01 -0.84 115.95 118.75 2d5z h TRP 15 Ca 0.14 0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.23 2d5z h TRP 15 Cb 0.50 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.14 2d5z h TRP 15 CO 0.04 0.15 0.29 0.78 -1.03 0.00 0.00 178.44 178.67 2d5z h GLY 16 N 0.64 0.00 -1.54 2.65 0.00 -1.16 -1.61 103.07 102.05 2d5z h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2d5z h GLY 16 CO 0.02 0.00 -0.11 0.28 0.00 0.00 0.00 176.54 176.73 2d5z n LYS 17 N -3.68 1.99 -2.98 4.80 5.02 -0.32 -4.93 118.16 118.05 2d5z n LYS 17 Ca 0.03 -1.60 -0.41 0.00 -2.02 0.00 0.00 58.31 54.31 2d5z n LYS 17 Cb 0.42 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 2d5z n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2d5z s VAL 18 N -2.11 4.93 -0.60 -0.18 1.01 -0.61 -5.01 120.40 117.83 2d5z s VAL 18 Ca 0.27 1.44 -0.28 0.00 0.00 0.00 0.00 61.98 63.40 2d5z s VAL 18 Cb 0.20 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.55 2d5z s VAL 18 CO 0.37 0.04 1.20 0.21 0.00 0.00 0.00 175.10 176.91 2d5z s ASN 19 N 1.22 6.40 0.17 3.32 3.84 -1.26 -4.91 114.94 123.72 2d5z s ASN 19 Ca 0.34 0.00 -0.09 0.00 0.21 0.00 0.00 52.86 53.32 2d5z s ASN 19 Cb -0.16 -2.55 0.05 0.00 -0.55 0.00 0.00 41.25 38.04 2d5z s ASN 19 CO 0.11 -1.53 1.58 0.58 -2.79 0.00 0.00 177.10 175.05 2d5z h VAL 20 N 6.13 1.27 -0.07 -5.21 2.07 -1.94 0.15 116.25 118.65 2d5z h VAL 20 Ca -0.25 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 65.95 2d5z h VAL 20 Cb 1.06 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2d5z h VAL 20 CO 1.20 0.46 -0.07 0.44 0.02 0.00 0.00 177.57 179.62 2d5z h ASP 21 N 0.86 -0.22 -0.20 0.57 3.32 -1.91 0.70 116.42 119.55 2d5z h ASP 21 Ca 0.12 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 2d5z h ASP 21 Cb 0.75 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 2d5z h ASP 21 CO 0.06 -0.10 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.10 2d5z h GLU 22 N -0.09 0.39 -0.28 3.56 5.08 -1.87 -2.29 114.58 119.08 2d5z h GLU 22 Ca 0.05 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2d5z h GLU 22 Cb 0.17 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2d5z h GLU 22 CO -0.12 0.64 -0.20 0.28 -1.00 0.00 0.00 179.01 178.61 2d5z h VAL 23 N 0.10 1.25 -0.22 3.13 2.07 -0.95 -1.83 116.25 119.81 2d5z h VAL 23 Ca 0.05 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 2d5z h VAL 23 Cb 0.50 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2d5z h VAL 23 CO 0.02 0.38 0.07 1.23 0.02 0.00 0.00 177.57 179.29 2d5z h GLY 24 N 0.99 0.37 1.25 2.17 0.00 -0.75 0.87 103.07 107.96 2d5z h GLY 24 Ca 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 2d5z h GLY 24 CO 0.04 0.20 0.22 -1.33 0.00 0.00 0.00 176.54 175.68 2d5z h GLY 25 N 0.19 1.02 0.85 4.60 0.00 -1.23 -1.30 103.07 107.20 2d5z h GLY 25 Ca 0.07 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 2d5z h GLY 25 CO -0.00 0.52 -0.06 -2.09 0.00 0.00 0.00 176.54 174.91 2d5z h GLU 26 N 0.92 0.49 -0.21 4.80 4.57 -1.10 -0.74 114.58 123.32 2d5z h GLU 26 Ca 0.21 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 2d5z h GLU 26 Cb 0.23 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2d5z h GLU 26 CO -0.01 0.71 -0.01 0.00 -1.18 0.00 0.00 179.01 178.52 2d5z h ALA 27 N 0.77 0.29 -0.52 2.92 0.00 -0.67 -0.05 119.26 122.00 2d5z h ALA 27 Ca 0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2d5z h ALA 27 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2d5z h ALA 27 CO 0.03 0.01 0.14 1.25 0.00 0.00 0.00 179.25 180.68 2d5z h LEU 28 N 0.14 0.77 -0.10 0.00 5.85 -1.29 -0.52 115.31 120.16 2d5z h LEU 28 Ca 0.06 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2d5z h LEU 28 Cb 0.41 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2d5z h LEU 28 CO 0.01 0.79 -0.07 1.23 -0.34 0.00 0.00 178.44 180.06 2d5z h GLY 29 N 0.71 0.03 1.50 3.75 0.00 -1.05 -1.96 103.07 106.05 2d5z h GLY 29 Ca 0.16 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 2d5z h GLY 29 CO -0.00 -0.08 0.12 3.21 0.00 0.00 0.00 176.54 179.78 2d5z h ARG 30 N -0.07 0.64 -0.28 4.80 3.08 -0.86 -1.43 114.38 120.26 2d5z h ARG 30 Ca 0.06 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.04 2d5z h ARG 30 Cb 0.16 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2d5z h ARG 30 CO -0.15 0.57 0.10 1.25 -1.07 0.00 0.00 179.97 180.67 2d5z h LEU 31 N 0.62 0.11 -1.36 3.04 5.85 -0.73 0.27 115.31 123.12 2d5z h LEU 31 Ca 0.14 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2d5z h LEU 31 Cb 0.22 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2d5z h LEU 31 CO -0.01 0.10 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.82 2d5z h LEU 32 N 0.22 0.00 0.06 2.25 -0.00 -0.67 -1.34 115.31 115.83 2d5z h LEU 32 Ca 0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.92 2d5z h LEU 32 Cb 0.09 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.76 2d5z h LEU 32 CO -0.13 0.30 -0.36 0.58 -0.00 0.00 0.00 178.44 178.83 2d5z h VAL 33 N 0.00 1.66 0.03 1.22 2.07 -1.02 -3.28 116.25 116.93 2d5z h VAL 33 Ca -0.00 -2.42 -0.22 0.00 0.82 0.00 0.00 66.70 64.88 2d5z h VAL 33 Cb 0.62 3.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 2d5z h VAL 33 CO 0.04 0.65 -0.98 0.58 0.02 0.00 0.00 177.57 177.88 2d5z h VAL 34 N -0.74 1.53 -2.58 2.57 2.07 -0.95 -3.37 116.25 114.79 2d5z h VAL 34 Ca -0.07 -2.85 -0.60 0.00 0.82 0.00 0.00 66.70 64.00 2d5z h VAL 34 Cb 1.27 2.64 -0.40 0.00 -1.52 0.00 0.00 31.29 33.27 2d5z h VAL 34 CO 0.06 0.83 -0.76 -1.22 0.02 0.00 0.00 177.57 176.50 2d5z n TYR 35 N -3.58 1.69 0.30 1.57 4.01 -0.51 -4.99 117.16 115.64 2d5z n TYR 35 Ca -0.04 -3.91 0.18 0.00 -0.16 0.00 0.00 57.90 53.97 2d5z n TYR 35 Cb 0.88 -0.33 0.99 0.00 -0.31 0.00 0.00 39.34 40.57 2d5z n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2d5z h PRO 36 N 5.06 0.00 0.00 -0.72 0.11 -1.73 -1.07 132.00 133.65 2d5z h PRO 36 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 2d5z h PRO 36 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 2d5z h PRO 36 CO 0.61 0.00 -0.02 0.11 -0.21 0.00 0.00 178.00 178.49 2d5z h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.49 115.95 113.28 2d5z h TRP 37 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.00 2d5z h TRP 37 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.38 2d5z h TRP 37 CO 0.00 0.02 0.00 0.25 0.09 0.00 0.00 178.44 178.80 2d5z n THR 38 N -3.34 1.07 0.31 0.12 -2.24 -0.41 -1.96 114.28 107.83 2d5z n THR 38 Ca -0.02 0.39 0.11 0.00 -2.27 0.00 0.00 64.05 62.25 2d5z n THR 38 Cb 0.13 -1.30 0.51 0.00 -2.10 0.00 0.00 70.33 67.56 2d5z n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d5z n GLN 39 N -1.98 0.17 0.10 -0.78 6.02 -0.56 -3.46 117.38 116.88 2d5z n GLN 39 Ca 0.01 0.50 0.20 0.00 -0.01 0.00 0.00 57.00 57.69 2d5z n GLN 39 Cb 0.14 -1.89 0.75 0.00 1.02 0.00 0.00 30.24 30.27 2d5z n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2d5z h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.61 -0.20 114.38 111.58 2d5z h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2d5z h ARG 40 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 2d5z h ARG 40 CO 0.00 0.00 -0.11 1.19 0.10 0.00 0.00 179.97 181.15 2d5z n PHE 41 N -3.91 0.00 -2.30 4.08 3.72 -1.22 -4.32 117.46 113.52 2d5z n PHE 41 Ca 0.07 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.43 2d5z n PHE 41 Cb 0.54 -0.07 0.07 0.00 -0.94 0.00 0.00 39.48 39.08 2d5z n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2d5z n PHE 42 N -0.36 1.04 0.31 1.38 3.72 -0.09 -4.81 117.46 118.65 2d5z n PHE 42 Ca 0.16 -1.61 0.19 0.00 -0.05 0.00 0.00 57.45 56.14 2d5z n PHE 42 Cb 0.33 -0.24 1.03 0.00 -0.94 0.00 0.00 39.48 39.65 2d5z n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2d5z h GLU 43 N 1.76 0.00 -0.00 -1.08 4.39 -1.75 -1.38 114.58 116.51 2d5z h GLU 43 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2d5z h GLU 43 Cb 1.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 2d5z h GLU 43 CO 0.26 0.02 -0.07 -1.13 -1.16 0.00 0.00 179.01 176.93 2d5z n SER 44 N -3.37 0.39 -0.00 1.42 3.41 -1.26 -3.87 113.62 110.33 2d5z n SER 44 Ca -0.03 -0.60 0.14 0.00 -0.26 0.00 0.00 58.87 58.12 2d5z n SER 44 Cb 0.12 -0.10 0.62 0.00 -0.26 0.00 0.00 64.21 64.60 2d5z n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2d5z n PHE 45 N -0.96 0.00 -0.24 7.33 3.01 -0.52 -5.04 117.46 121.04 2d5z n PHE 45 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.62 2d5z n PHE 45 Cb 0.25 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 2d5z n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2d5z n GLY 46 N 1.49 -0.33 3.66 1.37 0.00 -1.25 -4.84 105.19 105.30 2d5z n GLY 46 Ca 0.07 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 2d5z n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d5z s ASP 47 N -4.00 7.07 -0.21 1.61 2.15 -1.26 -4.90 116.67 117.13 2d5z s ASP 47 Ca 0.00 1.50 0.11 0.00 0.43 0.00 0.00 52.55 54.59 2d5z s ASP 47 Cb 0.00 -2.54 0.42 0.00 -0.30 0.00 0.00 42.92 40.50 2d5z s ASP 47 CO 0.00 -0.67 1.25 0.18 -0.17 0.00 0.00 175.17 175.76 2d5z n LEU 48 N 6.20 2.88 -0.02 -1.34 4.77 -1.26 -4.45 117.00 123.78 2d5z n LEU 48 Ca 0.12 -3.82 0.13 0.00 -0.03 0.00 0.00 56.01 52.41 2d5z n LEU 48 Cb 0.46 -0.54 0.39 0.00 -2.33 0.00 0.00 43.42 41.40 2d5z n LEU 48 CO 0.53 1.33 0.64 -1.54 -1.33 0.00 0.00 177.39 177.02 2d5z n SER 49 N -1.14 0.37 -4.13 -1.43 3.41 -1.26 -4.71 113.62 104.73 2d5z n SER 49 Ca 0.21 -0.08 -0.14 0.00 -0.26 0.00 0.00 58.87 58.60 2d5z n SER 49 Cb 0.73 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.57 2d5z n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2d5z s THR 50 N -2.94 0.76 0.23 6.66 -4.23 -1.26 -5.05 115.64 109.80 2d5z s THR 50 Ca 0.14 -1.46 -0.08 0.00 -1.18 0.00 0.00 61.69 59.11 2d5z s THR 50 Cb 0.18 -1.11 0.22 0.00 1.34 0.00 0.00 72.50 73.13 2d5z s THR 50 CO 0.63 -0.52 1.67 -0.65 -0.54 0.00 0.00 174.62 175.20 2d5z h PRO 51 N 3.87 0.16 -0.71 3.99 0.11 -1.96 -1.07 132.00 136.39 2d5z h PRO 51 Ca -0.37 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.66 2d5z h PRO 51 Cb 1.19 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2d5z h PRO 51 CO 0.49 0.11 0.15 -0.44 -0.21 0.00 0.00 178.00 178.10 2d5z h ASP 52 N 0.17 1.09 -0.11 -2.05 3.45 -1.98 -0.58 116.42 116.40 2d5z h ASP 52 Ca 0.36 -0.24 -0.00 0.00 0.43 0.00 0.00 57.03 57.58 2d5z h ASP 52 Cb 0.61 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 2d5z h ASP 52 CO -0.53 1.05 0.07 0.00 -1.57 0.00 0.00 179.24 178.25 2d5z h ALA 53 N 1.08 0.15 0.12 3.45 0.00 -1.79 -1.29 119.26 120.97 2d5z h ALA 53 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2d5z h ALA 53 Cb 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2d5z h ALA 53 CO 0.01 -0.33 -0.11 0.28 0.00 0.00 0.00 179.25 179.10 2d5z h VAL 54 N 0.10 0.76 -0.38 0.00 2.07 -0.98 -2.08 116.25 115.75 2d5z h VAL 54 Ca 0.04 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 2d5z h VAL 54 Cb 0.05 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2d5z h VAL 54 CO -0.01 0.00 -0.06 0.24 0.02 0.00 0.00 177.57 177.76 2d5z h MET 55 N -0.24 0.64 -0.00 1.57 2.07 -1.01 -2.69 114.93 115.25 2d5z h MET 55 Ca 0.00 -0.18 0.00 0.00 -2.07 0.00 0.00 59.70 57.45 2d5z h MET 55 Cb 0.23 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.88 2d5z h MET 55 CO -0.02 0.70 -0.28 0.41 1.07 0.00 0.00 176.91 178.80 2d5z n GLY 56 N -0.64 -0.87 3.66 8.32 0.00 -0.50 -4.82 105.19 110.34 2d5z n GLY 56 Ca 0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 2d5z n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2d5z s ASN 57 N -2.64 6.55 0.44 1.61 3.84 -0.79 -4.90 114.94 119.05 2d5z s ASN 57 Ca 0.21 2.47 0.09 0.00 0.21 0.00 0.00 52.86 55.85 2d5z s ASN 57 Cb 0.19 -2.53 0.96 0.00 -0.55 0.00 0.00 41.25 39.32 2d5z s ASN 57 CO 0.56 -0.99 2.08 1.55 -2.79 0.00 0.00 177.10 177.51 2d5z h PRO 58 N 9.95 0.41 -0.10 0.43 0.13 -1.90 -1.63 132.00 139.28 2d5z h PRO 58 Ca -0.45 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 2d5z h PRO 58 Cb 1.21 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2d5z h PRO 58 CO 0.95 0.27 -0.73 0.87 -0.23 0.00 0.00 178.00 179.13 2d5z h LYS 59 N 0.42 0.50 -0.35 0.86 1.57 -1.90 -0.08 116.57 117.59 2d5z h LYS 59 Ca 0.12 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 2d5z h LYS 59 Cb -0.03 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2d5z h LYS 59 CO -0.03 1.03 0.15 0.28 -0.57 0.00 0.00 179.45 180.31 2d5z h VAL 60 N 0.35 1.18 -0.47 0.50 2.07 -1.75 -0.50 116.25 117.63 2d5z h VAL 60 Ca -0.03 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 2d5z h VAL 60 Cb 1.31 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2d5z h VAL 60 CO 0.13 0.20 0.23 0.11 0.02 0.00 0.00 177.57 178.26 2d5z h LYS 61 N 0.42 0.67 -0.51 1.57 1.57 -1.19 0.18 116.57 119.28 2d5z h LYS 61 Ca 0.12 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2d5z h LYS 61 Cb 0.17 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2d5z h LYS 61 CO -0.01 0.56 0.13 0.00 -0.57 0.00 0.00 179.45 179.56 2d5z h ALA 62 N 1.07 0.67 -0.24 3.86 0.00 -0.89 -1.34 119.26 122.39 2d5z h ALA 62 Ca 0.16 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 2d5z h ALA 62 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2d5z h ALA 62 CO -0.02 0.36 -0.56 1.25 0.00 0.00 0.00 179.25 180.28 2d5z h HIS 63 N 0.70 0.93 -0.84 0.00 -0.00 -0.95 -2.27 115.15 112.72 2d5z h HIS 63 Ca 0.16 -0.33 0.04 0.00 -0.00 0.00 0.00 60.37 60.24 2d5z h HIS 63 Cb 0.32 -0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.51 2d5z h HIS 63 CO 0.02 1.13 0.54 0.78 -0.00 0.00 0.00 177.93 180.39 2d5z h GLY 64 N 0.85 1.24 0.87 5.26 0.00 -0.86 0.21 103.07 110.64 2d5z h GLY 64 Ca 0.01 -0.40 0.03 0.00 0.00 0.00 0.00 47.33 46.96 2d5z h GLY 64 CO 0.12 0.33 0.38 1.70 0.00 0.00 0.00 176.54 179.06 2d5z h LYS 65 N 1.03 0.73 -0.06 4.80 3.64 -1.01 -0.90 116.57 124.79 2d5z h LYS 65 Ca 0.35 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 2d5z h LYS 65 Cb 0.05 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2d5z h LYS 65 CO -0.13 0.48 0.01 -0.22 -2.27 0.00 0.00 179.45 177.32 2d5z h LYS 66 N 0.75 0.09 -0.03 1.90 3.64 -0.82 -0.82 116.57 121.28 2d5z h LYS 66 Ca 0.25 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2d5z h LYS 66 Cb 0.03 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2d5z h LYS 66 CO -0.10 0.33 0.02 0.28 -2.27 0.00 0.00 179.45 177.71 2d5z h VAL 67 N -0.16 1.02 0.00 2.00 2.07 -0.89 -2.23 116.25 118.06 2d5z h VAL 67 Ca 0.02 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2d5z h VAL 67 Cb 0.29 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2d5z h VAL 67 CO 0.00 0.02 -0.10 0.25 0.02 0.00 0.00 177.57 177.76 2d5z h LEU 68 N 0.03 0.00 -0.28 2.57 5.85 -1.19 -1.59 115.31 120.71 2d5z h LEU 68 Ca 0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2d5z h LEU 68 Cb 0.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2d5z h LEU 68 CO -0.00 0.10 0.12 1.23 -0.34 0.00 0.00 178.44 179.54 2d5z h GLY 69 N 2.91 0.44 1.04 3.75 0.00 -0.88 0.21 103.07 110.54 2d5z h GLY 69 Ca -0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 2d5z h GLY 69 CO 0.01 0.22 0.16 0.00 0.00 0.00 0.00 176.54 176.94 2d5z h ALA 70 N 0.97 0.87 -0.33 3.60 0.00 -1.06 -1.33 119.26 121.98 2d5z h ALA 70 Ca 0.09 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2d5z h ALA 70 Cb 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2d5z h ALA 70 CO -0.01 0.58 0.14 0.35 0.00 0.00 0.00 179.25 180.32 2d5z h PHE 71 N 0.98 0.27 -0.52 0.00 3.57 -1.10 -2.25 116.94 117.89 2d5z h PHE 71 Ca 0.21 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.73 2d5z h PHE 71 Cb 0.36 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 2d5z h PHE 71 CO 0.03 0.13 0.33 1.03 -2.23 0.00 0.00 178.31 177.60 2d5z h SER 72 N 0.31 0.56 -0.69 0.41 0.87 -0.26 -1.86 113.55 112.88 2d5z h SER 72 Ca 0.14 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.71 2d5z h SER 72 Cb 0.08 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.87 2d5z h SER 72 CO -0.11 0.40 0.45 0.44 -0.53 0.00 0.00 176.83 177.48 2d5z h ASP 73 N 0.67 0.76 0.33 6.23 3.32 -1.04 -1.93 116.42 124.76 2d5z h ASP 73 Ca 0.20 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 2d5z h ASP 73 Cb -0.04 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 2d5z h ASP 73 CO -0.06 0.54 -0.15 1.23 -1.72 0.00 0.00 179.24 179.08 2d5z h GLY 74 N 0.89 0.00 2.00 2.75 0.00 -0.74 -2.70 103.07 105.28 2d5z h GLY 74 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2d5z h GLY 74 CO -0.06 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.89 2d5z h LEU 75 N 0.00 0.00 -0.09 3.11 3.38 -1.08 0.14 115.31 120.76 2d5z h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2d5z h LEU 75 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2d5z h LEU 75 CO 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.52 2d5z n ALA 76 N -1.93 2.61 -2.64 1.53 0.00 -1.02 -4.19 120.51 114.87 2d5z n ALA 76 Ca -0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 2d5z n ALA 76 Cb 0.15 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.18 2d5z n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2d5z n HIS 77 N -1.08 1.40 0.29 0.00 8.25 0.49 -4.92 115.22 119.64 2d5z n HIS 77 Ca 0.17 -2.83 0.18 0.00 -0.26 0.00 0.00 57.72 54.97 2d5z n HIS 77 Cb 0.22 -0.35 0.88 0.00 1.12 0.00 0.00 29.99 31.86 2d5z n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2d5z h LEU 78 N 2.95 0.00 -1.78 2.41 3.38 -1.72 -0.89 115.31 119.66 2d5z h LEU 78 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2d5z h LEU 78 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2d5z h LEU 78 CO 0.54 0.04 0.00 0.47 0.09 0.00 0.00 178.44 179.58 2d5z n ASP 79 N -3.27 2.64 -2.87 -0.43 8.00 -1.26 -4.29 116.55 115.07 2d5z n ASP 79 Ca -0.01 -1.91 -0.12 0.00 0.71 0.00 0.00 54.79 53.46 2d5z n ASP 79 Cb 0.21 -0.24 0.04 0.00 -0.02 0.00 0.00 41.12 41.10 2d5z n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2d5z n ASN 80 N 0.95 -0.24 0.07 -2.24 5.15 -0.35 -4.95 115.26 113.65 2d5z n ASN 80 Ca 0.18 -3.01 -0.01 0.00 -0.60 0.00 0.00 54.58 51.13 2d5z n ASN 80 Cb 0.46 0.29 0.27 0.00 -0.53 0.00 0.00 39.78 40.26 2d5z n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2d5z h LEU 81 N 2.83 0.33 0.05 1.20 3.38 -1.71 -1.95 115.31 119.45 2d5z h LEU 81 Ca -0.06 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2d5z h LEU 81 Cb 1.11 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2d5z h LEU 81 CO 0.32 0.59 -0.02 0.11 0.09 0.00 0.00 178.44 179.52 2d5z h LYS 82 N 0.30 -0.06 -0.56 1.13 1.57 -1.90 -0.62 116.57 116.43 2d5z h LYS 82 Ca 0.05 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2d5z h LYS 82 Cb 0.60 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2d5z h LYS 82 CO 0.04 -0.01 0.21 0.78 -0.57 0.00 0.00 179.45 179.91 2d5z h GLY 83 N -0.10 0.91 0.93 3.86 0.00 -1.94 -1.27 103.07 105.46 2d5z h GLY 83 Ca -0.01 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 46.84 2d5z h GLY 83 CO 0.01 0.47 0.59 -0.84 0.00 0.00 0.00 176.54 176.77 2d5z h THR 84 N 0.77 1.18 -0.47 4.70 2.02 -1.08 -2.92 112.91 117.12 2d5z h THR 84 Ca 0.18 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2d5z h THR 84 Cb 0.22 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 2d5z h THR 84 CO -0.01 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.58 2d5z n PHE 85 N -4.49 0.62 -0.17 3.16 3.72 -0.27 -4.60 117.46 115.43 2d5z n PHE 85 Ca 0.11 -0.40 -0.07 0.00 -0.05 0.00 0.00 57.45 57.04 2d5z n PHE 85 Cb 0.06 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.61 2d5z n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d5z h ALA 86 N 3.44 0.64 -0.46 4.37 0.00 -1.02 0.25 119.26 126.47 2d5z h ALA 86 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2d5z h ALA 86 Cb 0.86 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2d5z h ALA 86 CO 0.00 0.09 0.11 1.15 0.00 0.00 0.00 179.25 180.60 2d5z h THR 87 N 0.68 1.24 -0.15 0.00 2.02 -1.81 -1.70 112.91 113.18 2d5z h THR 87 Ca 0.18 -0.84 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 2d5z h THR 87 Cb -0.06 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2d5z h THR 87 CO -0.04 0.30 -0.27 -0.07 0.37 0.00 0.00 175.52 175.81 2d5z h LEU 88 N 0.63 0.27 0.29 2.58 3.38 -1.79 -1.84 115.31 118.83 2d5z h LEU 88 Ca 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2d5z h LEU 88 Cb 0.34 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2d5z h LEU 88 CO 0.00 0.55 -0.14 -1.28 0.09 0.00 0.00 178.44 177.66 2d5z h SER 89 N 0.25 -0.33 -0.98 -0.43 0.87 -0.18 0.14 113.55 112.88 2d5z h SER 89 Ca 0.04 -0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 2d5z h SER 89 Cb 0.61 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.59 2d5z h SER 89 CO 0.04 -0.20 0.63 -0.08 -0.53 0.00 0.00 176.83 176.69 2d5z h GLU 90 N -0.44 1.12 -0.19 2.24 4.81 -1.21 -1.39 114.58 119.51 2d5z h GLU 90 Ca -0.04 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2d5z h GLU 90 Cb 0.34 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2d5z h GLU 90 CO 0.07 0.74 0.07 1.25 -0.73 0.00 0.00 179.01 180.41 2d5z h LEU 91 N 1.15 0.26 -1.29 1.64 5.85 -1.15 0.11 115.31 121.89 2d5z h LEU 91 Ca 0.42 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 2d5z h LEU 91 Cb 0.15 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2d5z h LEU 91 CO -0.17 0.36 -0.17 0.45 -0.34 0.00 0.00 178.44 178.58 2d5z h HIS 92 N 0.15 0.30 0.30 1.25 3.86 -0.49 -0.79 115.15 119.72 2d5z h HIS 92 Ca 0.06 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2d5z h HIS 92 Cb 0.18 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.57 2d5z h HIS 92 CO -0.01 0.44 -0.15 0.00 0.86 0.00 0.00 177.93 179.07 2d5z h ASP 94 N -1.09 0.47 0.00 0.00 3.32 -0.71 -3.08 116.42 115.33 2d5z h ASP 94 Ca -0.04 -0.43 -0.35 0.00 0.02 0.00 0.00 57.03 56.22 2d5z h ASP 94 Cb 0.35 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 2d5z h ASP 94 CO 0.07 1.28 -2.30 1.17 -1.72 0.00 0.00 179.24 177.73 2d5z n LYS 95 N -3.65 0.56 0.03 3.56 4.81 -0.38 -4.72 118.16 118.38 2d5z n LYS 95 Ca -0.07 0.15 0.11 0.00 -0.87 0.00 0.00 58.31 57.62 2d5z n LYS 95 Cb 0.92 -1.44 -0.10 0.00 0.02 0.00 0.00 35.03 34.43 2d5z n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2d5z n LEU 96 N -3.31 0.36 -3.75 3.14 4.77 -0.76 -5.00 117.00 112.46 2d5z n LEU 96 Ca -0.41 0.11 -0.22 0.00 -0.03 0.00 0.00 56.01 55.46 2d5z n LEU 96 Cb 0.91 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 42.00 2d5z n LEU 96 CO 0.20 -0.06 -0.09 1.41 -1.33 0.00 0.00 177.39 177.51 2d5z n HIS 97 N -2.38 -1.87 -3.61 -1.77 8.25 -0.01 -4.95 115.22 108.88 2d5z n HIS 97 Ca -0.02 0.82 -0.38 0.00 -0.26 0.00 0.00 57.72 57.88 2d5z n HIS 97 Cb 0.55 -4.28 -0.11 0.00 1.12 0.00 0.00 29.99 27.27 2d5z n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2d5z s VAL 98 N -3.72 5.13 0.08 1.59 1.01 -0.55 -5.03 120.40 118.92 2d5z s VAL 98 Ca 0.01 0.05 -0.32 0.00 0.00 0.00 0.00 61.98 61.71 2d5z s VAL 98 Cb -0.00 -3.47 -0.11 0.00 0.00 0.00 0.00 36.38 32.79 2d5z s VAL 98 CO 0.83 0.22 1.81 -0.67 0.00 0.00 0.00 175.10 177.29 2d5z n ASP 99 N 5.04 3.75 0.25 3.32 -0.08 -1.26 -4.73 116.55 122.85 2d5z n ASP 99 Ca -0.14 1.00 0.17 0.00 -1.51 0.00 0.00 54.79 54.30 2d5z n ASP 99 Cb 0.51 -1.49 0.89 0.00 2.34 0.00 0.00 41.12 43.38 2d5z n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2d5z h PRO 100 N 8.32 0.00 -0.88 -0.67 0.11 -1.96 -1.39 132.00 135.53 2d5z h PRO 100 Ca -0.47 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.84 2d5z h PRO 100 Cb 1.24 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 2d5z h PRO 100 CO 0.94 0.00 0.58 1.49 -0.21 0.00 0.00 178.00 180.80 2d5z h GLU 101 N 0.00 0.38 -0.85 1.05 4.57 -1.98 -0.03 114.58 117.72 2d5z h GLU 101 Ca 0.00 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 2d5z h GLU 101 Cb 0.05 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.50 2d5z h GLU 101 CO 0.00 0.25 0.55 -0.91 -1.18 0.00 0.00 179.01 177.72 2d5z h ASN 102 N 0.39 0.69 -0.24 1.04 2.35 -1.62 -1.00 115.58 117.20 2d5z h ASN 102 Ca 0.45 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 56.14 2d5z h ASN 102 Cb 1.14 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.38 2d5z h ASN 102 CO -0.16 0.39 -0.14 -0.26 -1.65 0.00 0.00 177.43 175.61 2d5z h PHE 103 N 0.75 0.71 -0.12 1.19 0.04 -1.19 -0.70 116.94 117.63 2d5z h PHE 103 Ca 0.40 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 61.00 2d5z h PHE 103 Cb 0.52 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 2d5z h PHE 103 CO -0.00 0.76 -0.10 0.00 -0.60 0.00 0.00 178.31 178.37 2d5z h ARG 104 N 0.59 0.27 -0.41 1.51 3.08 -1.22 -1.45 114.38 116.76 2d5z h ARG 104 Ca 0.10 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.07 2d5z h ARG 104 Cb 0.58 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 2d5z h ARG 104 CO 0.04 0.66 0.13 -0.07 -1.07 0.00 0.00 179.97 179.66 2d5z h LEU 105 N -0.11 0.13 -1.03 3.04 3.38 -1.16 -2.03 115.31 117.53 2d5z h LEU 105 Ca 0.02 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2d5z h LEU 105 Cb 0.60 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2d5z h LEU 105 CO 0.03 0.11 0.54 0.25 0.09 0.00 0.00 178.44 179.45 2d5z h LEU 106 N 0.29 1.07 -0.61 1.67 5.85 -1.10 -1.40 115.31 121.08 2d5z h LEU 106 Ca 0.19 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2d5z h LEU 106 Cb 0.19 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2d5z h LEU 106 CO -0.20 0.82 0.40 1.23 -0.34 0.00 0.00 178.44 180.35 2d5z h GLY 107 N 1.24 0.86 1.77 3.75 0.00 -0.69 0.46 103.07 110.46 2d5z h GLY 107 Ca 0.32 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2d5z h GLY 107 CO -0.06 0.31 -0.62 3.43 0.00 0.00 0.00 176.54 179.60 2d5z h ASN 108 N 0.82 0.26 -0.54 0.19 4.21 -0.96 -2.02 115.58 117.55 2d5z h ASN 108 Ca 0.22 -0.15 -0.02 0.00 1.21 0.00 0.00 56.30 57.56 2d5z h ASN 108 Cb -0.09 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.01 2d5z h ASN 108 CO -0.05 0.81 0.27 0.58 -1.29 0.00 0.00 177.43 177.75 2d5z h VAL 109 N 0.17 1.19 -0.86 2.81 2.07 -0.89 -1.60 116.25 119.15 2d5z h VAL 109 Ca -0.01 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.03 2d5z h VAL 109 Cb 1.13 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 2d5z h VAL 109 CO 0.10 0.22 0.54 0.25 0.02 0.00 0.00 177.57 178.69 2d5z h LEU 110 N 0.72 0.87 -0.59 2.57 5.85 -0.57 0.66 115.31 124.82 2d5z h LEU 110 Ca 0.19 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2d5z h LEU 110 Cb 0.10 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2d5z h LEU 110 CO -0.03 0.57 0.33 0.58 -0.34 0.00 0.00 178.44 179.56 2d5z h VAL 111 N 1.01 1.19 -0.90 1.05 2.07 -1.05 0.57 116.25 120.20 2d5z h VAL 111 Ca 0.36 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2d5z h VAL 111 Cb 0.10 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2d5z h VAL 111 CO -0.15 0.20 0.55 0.00 0.02 0.00 0.00 177.57 178.19 2d5z h VAL 113 N 1.24 1.28 -0.81 0.00 2.07 -0.19 -0.16 116.25 119.66 2d5z h VAL 113 Ca 0.32 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 2d5z h VAL 113 Cb -0.06 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 2d5z h VAL 113 CO -0.06 0.45 0.41 -0.07 0.02 0.00 0.00 177.57 178.31 2d5z h LEU 114 N 0.70 1.05 -0.57 2.57 3.38 -0.69 -0.59 115.31 121.16 2d5z h LEU 114 Ca 0.10 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2d5z h LEU 114 Cb 0.74 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2d5z h LEU 114 CO 0.06 0.88 0.15 0.00 0.09 0.00 0.00 178.44 179.62 2d5z h ALA 115 N 1.21 0.76 -0.54 1.53 0.00 -0.96 -0.15 119.26 121.11 2d5z h ALA 115 Ca 0.28 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2d5z h ALA 115 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2d5z h ALA 115 CO -0.04 0.45 0.03 1.25 0.00 0.00 0.00 179.25 180.94 2d5z h HIS 116 N 0.82 1.01 0.14 0.00 -0.00 -0.75 0.05 115.15 116.42 2d5z h HIS 116 Ca 0.18 -0.16 -0.29 0.00 -0.00 0.00 0.00 60.37 60.10 2d5z h HIS 116 Cb 0.33 -0.27 0.03 0.00 -0.00 0.00 0.00 27.41 27.50 2d5z h HIS 116 CO 0.02 0.91 -1.21 1.25 -0.00 0.00 0.00 177.93 178.91 2d5z h HIS 117 N 0.81 0.95 0.00 5.26 6.17 -0.93 -3.36 115.15 124.05 2d5z h HIS 117 Ca 0.16 -0.62 0.00 0.00 0.71 0.00 0.00 60.37 60.62 2d5z h HIS 117 Cb 0.49 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.35 2d5z h HIS 117 CO 0.04 1.46 -1.39 1.19 0.71 0.00 0.00 177.93 179.93 2d5z n PHE 118 N -3.84 0.30 0.00 5.26 3.72 -0.08 -5.05 117.46 117.78 2d5z n PHE 118 Ca -0.14 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2d5z n PHE 118 Cb 0.97 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 2d5z n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2d5z n GLY 119 N 1.29 3.64 0.37 1.37 0.00 0.00 -2.93 105.19 108.94 2d5z n GLY 119 Ca -0.01 -0.08 0.17 0.00 0.00 0.00 0.00 46.02 46.10 2d5z n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2d5z h LYS 120 N 0.00 0.12 0.00 1.61 3.64 -1.97 -0.97 116.57 119.01 2d5z h LYS 120 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2d5z h LYS 120 Cb 0.00 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2d5z h LYS 120 CO 0.00 0.08 -0.11 1.49 -2.27 0.00 0.00 179.45 178.64 2d5z h GLU 121 N 0.13 0.00 -4.00 1.90 4.81 -1.93 -3.26 114.58 112.23 2d5z h GLU 121 Ca 0.25 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.77 2d5z h GLU 121 Cb 0.84 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 2d5z h GLU 121 CO -0.03 0.11 3.00 0.34 -0.73 0.00 0.00 179.01 181.70 2d5z n PHE 122 N -4.15 3.51 -1.24 0.92 7.35 -0.37 -4.91 117.46 118.56 2d5z n PHE 122 Ca -0.02 -2.96 -0.29 0.00 -0.76 0.00 0.00 57.45 53.41 2d5z n PHE 122 Cb 0.19 -2.50 0.14 0.00 0.35 0.00 0.00 39.48 37.67 2d5z n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2d5z s THR 123 N 2.93 2.56 0.22 -2.13 -4.23 -1.23 -4.67 115.64 109.09 2d5z s THR 123 Ca 0.46 0.18 -0.07 0.00 -1.18 0.00 0.00 61.69 61.08 2d5z s THR 123 Cb 0.13 -2.70 0.17 0.00 1.34 0.00 0.00 72.50 71.44 2d5z s THR 123 CO -0.08 -0.24 1.77 -0.65 -0.54 0.00 0.00 174.62 174.89 2d5z h PRO 124 N -1.57 0.55 -0.51 3.99 0.11 -1.93 0.24 132.00 132.87 2d5z h PRO 124 Ca -0.50 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 2d5z h PRO 124 Cb 1.29 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2d5z h PRO 124 CO 0.56 0.36 0.16 -1.35 -0.21 0.00 0.00 178.00 177.52 2d5z h PRO 125 N 0.56 0.76 -0.45 1.05 0.11 -1.99 -1.40 132.00 130.65 2d5z h PRO 125 Ca 0.34 -0.13 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 2d5z h PRO 125 Cb 0.37 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 2d5z h PRO 125 CO -0.28 0.66 -0.09 0.28 -0.21 0.00 0.00 178.00 178.37 2d5z h VAL 126 N 0.74 1.27 -0.41 3.15 2.07 -1.76 -1.82 116.25 119.49 2d5z h VAL 126 Ca 0.17 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.54 2d5z h VAL 126 Cb 0.21 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2d5z h VAL 126 CO -0.01 0.41 0.18 -0.61 0.02 0.00 0.00 177.57 177.56 2d5z h GLN 127 N 0.69 0.36 -0.93 1.57 4.15 -0.79 -1.34 115.11 118.82 2d5z h GLN 127 Ca 0.12 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2d5z h GLN 127 Cb 0.62 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.18 2d5z h GLN 127 CO 0.04 0.24 0.58 0.00 -1.93 0.00 0.00 178.83 177.76 2d5z h ALA 128 N 1.24 1.18 -0.18 3.38 0.00 -0.92 0.25 119.26 124.21 2d5z h ALA 128 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2d5z h ALA 128 Cb 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2d5z h ALA 128 CO -0.16 0.61 0.12 0.00 0.00 0.00 0.00 179.25 179.82 2d5z h ALA 129 N 1.32 0.23 -0.12 0.00 0.00 -0.97 -2.34 119.26 117.37 2d5z h ALA 129 Ca 0.33 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 2d5z h ALA 129 Cb -0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2d5z h ALA 129 CO -0.07 -0.29 -0.26 1.88 0.00 0.00 0.00 179.25 180.52 2d5z h TYR 130 N 0.24 0.24 -0.74 0.00 -1.99 -0.24 -1.67 116.97 112.81 2d5z h TYR 130 Ca 0.07 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 2d5z h TYR 130 Cb -0.02 -0.06 -0.04 0.00 2.00 0.00 0.00 36.73 38.61 2d5z h TYR 130 CO -0.06 0.47 0.42 1.96 -0.00 0.00 0.00 178.16 180.94 2d5z h GLN 131 N 0.20 1.02 -0.64 4.88 1.08 -0.32 0.00 115.11 121.34 2d5z h GLN 131 Ca 0.03 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2d5z h GLN 131 Cb 0.57 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2d5z h GLN 131 CO 0.04 0.75 0.42 0.87 -0.95 0.00 0.00 178.83 179.95 2d5z h LYS 132 N 1.02 0.85 0.17 1.46 1.57 -0.88 -1.93 116.57 118.84 2d5z h LYS 132 Ca 0.26 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2d5z h LYS 132 Cb 0.01 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.13 2d5z h LYS 132 CO -0.04 0.58 -0.08 0.28 -0.57 0.00 0.00 179.45 179.61 2d5z h VAL 133 N 0.87 0.87 -0.08 0.50 2.07 -0.85 -0.80 116.25 118.83 2d5z h VAL 133 Ca 0.23 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 2d5z h VAL 133 Cb -0.08 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2d5z h VAL 133 CO -0.05 0.04 -0.36 -0.37 0.02 0.00 0.00 177.57 176.85 2d5z h VAL 134 N -0.30 1.28 -0.47 2.57 -1.51 -0.93 0.02 116.25 116.91 2d5z h VAL 134 Ca -0.02 -1.34 -0.13 0.00 -1.23 0.00 0.00 66.70 63.98 2d5z h VAL 134 Cb 0.23 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 2d5z h VAL 134 CO 0.04 0.39 -0.22 0.00 -1.23 0.00 0.00 177.57 176.55 2d5z h ALA 135 N 1.50 0.72 -0.56 5.19 0.00 -1.31 -1.39 119.26 123.41 2d5z h ALA 135 Ca 0.02 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2d5z h ALA 135 Cb 0.70 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2d5z h ALA 135 CO 0.05 0.67 0.07 0.78 0.00 0.00 0.00 179.25 180.83 2d5z h GLY 136 N 0.89 1.02 0.88 0.00 0.00 -0.14 0.25 103.07 105.96 2d5z h GLY 136 Ca 0.11 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 2d5z h GLY 136 CO 0.07 0.64 0.03 -2.08 0.00 0.00 0.00 176.54 175.20 2d5z h VAL 137 N 0.83 1.24 -0.52 4.60 2.07 -0.96 -0.67 116.25 122.85 2d5z h VAL 137 Ca 0.17 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.86 2d5z h VAL 137 Cb 0.44 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2d5z h VAL 137 CO 0.01 0.27 0.33 0.00 0.02 0.00 0.00 177.57 178.21 2d5z h ALA 138 N 0.86 0.67 -0.67 1.67 0.00 -1.10 0.16 119.26 120.85 2d5z h ALA 138 Ca 0.09 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2d5z h ALA 138 Cb 0.37 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2d5z h ALA 138 CO 0.01 0.06 0.17 -0.91 0.00 0.00 0.00 179.25 178.58 2d5z h ASN 139 N 0.66 0.99 -0.42 0.00 2.35 -0.84 -0.67 115.58 117.66 2d5z h ASN 139 Ca 0.20 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2d5z h ASN 139 Cb -0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 2d5z h ASN 139 CO -0.07 0.95 0.05 0.00 -1.65 0.00 0.00 177.43 176.71 2d5z h ALA 140 N 1.18 0.56 0.00 -0.83 0.00 -0.70 -1.88 119.26 117.58 2d5z h ALA 140 Ca 0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2d5z h ALA 140 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2d5z h ALA 140 CO -0.00 0.29 -0.17 -0.07 0.00 0.00 0.00 179.25 179.30 2d5z h LEU 141 N 0.55 0.00 0.00 0.00 3.38 -0.70 -2.61 115.31 115.93 2d5z h LEU 141 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2d5z h LEU 141 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2d5z h LEU 141 CO 0.01 0.17 -0.43 0.00 0.09 0.00 0.00 178.44 178.28 2d5z h ALA 142 N 1.83 0.72 -0.02 1.53 0.00 -0.83 -3.39 119.26 119.09 2d5z h ALA 142 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2d5z h ALA 142 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2d5z h ALA 142 CO 0.02 0.00 -0.39 1.25 0.00 0.00 0.00 179.25 180.14 2d5z h HIS 143 N 0.00 0.05 -0.24 0.00 6.17 -0.94 -2.51 115.15 117.68 2d5z h HIS 143 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 2d5z h HIS 143 Cb 0.78 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.69 2d5z h HIS 143 CO 0.00 0.43 0.00 1.63 0.71 0.00 0.00 177.93 180.70 2d5z n LYS 144 N -4.07 1.90 -2.06 5.26 4.76 -1.26 -4.93 118.16 117.75 2d5z n LYS 144 Ca -0.02 -1.35 -0.38 0.00 -2.87 0.00 0.00 58.31 53.69 2d5z n LYS 144 Cb 0.43 -1.40 0.01 0.00 -1.84 0.00 0.00 35.03 32.22 2d5z n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2d5z s TYR 145 N -1.69 2.67 0.00 2.13 1.51 -0.95 -4.74 117.35 116.29 2d5z s TYR 145 Ca 0.33 1.46 0.00 0.00 -1.01 0.00 0.00 57.07 57.84 2d5z s TYR 145 Cb 0.18 -3.57 0.00 0.00 -0.11 0.00 0.00 41.96 38.45 2d5z s TYR 145 CO 0.26 -2.07 0.00 -2.39 -1.11 0.00 0.00 175.55 170.24