#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d5z s LEU 2 N 0.00 4.10 0.74 1.34 1.43 -1.26 -5.04 118.68 119.99 2d5z s LEU 2 Ca 0.00 1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 54.01 2d5z s LEU 2 Cb 0.00 -3.15 0.03 0.00 0.03 0.00 0.00 46.19 43.11 2d5z s LEU 2 CO 0.00 -0.46 1.08 -0.94 0.23 0.00 0.00 176.35 176.25 2d5z s SER 3 N 1.30 5.01 0.25 2.29 1.04 -1.26 -4.82 113.70 117.53 2d5z s SER 3 Ca 0.34 1.46 -0.04 0.00 0.48 0.00 0.00 55.95 58.20 2d5z s SER 3 Cb -0.16 -2.28 0.51 0.00 0.10 0.00 0.00 66.02 64.20 2d5z s SER 3 CO 0.09 -1.66 1.66 -0.65 0.98 0.00 0.00 173.24 173.65 2d5z h PRO 4 N -0.87 0.18 -0.73 4.02 0.11 -1.99 -0.23 132.00 132.49 2d5z h PRO 4 Ca -0.45 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2d5z h PRO 4 Cb 1.24 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2d5z h PRO 4 CO 0.58 0.12 0.47 0.00 -0.21 0.00 0.00 178.00 178.96 2d5z h ALA 5 N 1.69 0.94 -0.17 -0.75 0.00 -1.99 -0.22 119.26 118.76 2d5z h ALA 5 Ca 0.45 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.35 2d5z h ALA 5 Cb 0.81 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2d5z h ALA 5 CO -0.61 0.29 0.01 -0.44 0.00 0.00 0.00 179.25 178.50 2d5z h ASP 6 N 0.93 -0.04 -0.50 0.00 3.32 -1.60 0.11 116.42 118.65 2d5z h ASP 6 Ca 0.28 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 2d5z h ASP 6 Cb -0.04 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2d5z h ASP 6 CO -0.09 0.01 0.30 0.11 -1.72 0.00 0.00 179.24 177.84 2d5z h LYS 7 N 0.07 0.68 -0.20 3.56 1.57 -0.77 0.13 116.57 121.60 2d5z h LYS 7 Ca 0.08 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2d5z h LYS 7 Cb 0.09 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2d5z h LYS 7 CO -0.12 0.50 0.04 1.15 -0.57 0.00 0.00 179.45 180.45 2d5z h THR 8 N 0.66 0.91 -0.32 -0.16 2.02 -0.85 -0.67 112.91 114.51 2d5z h THR 8 Ca 0.18 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.34 2d5z h THR 8 Cb -0.00 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2d5z h THR 8 CO -0.03 0.02 0.15 0.78 0.37 0.00 0.00 175.52 176.81 2d5z h ASN 9 N 0.12 0.20 -0.30 4.18 2.35 -0.33 -2.03 115.58 119.78 2d5z h ASN 9 Ca 0.09 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2d5z h ASN 9 Cb 0.09 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2d5z h ASN 9 CO -0.12 0.16 0.10 0.58 -1.65 0.00 0.00 177.43 176.50 2d5z h VAL 10 N 0.31 1.20 -0.90 2.81 2.07 -0.63 -1.98 116.25 119.12 2d5z h VAL 10 Ca 0.14 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2d5z h VAL 10 Cb 0.07 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2d5z h VAL 10 CO -0.11 0.21 0.56 0.11 0.02 0.00 0.00 177.57 178.36 2d5z h LYS 11 N 0.33 1.21 -0.02 1.57 1.57 -1.04 0.27 116.57 120.46 2d5z h LYS 11 Ca 0.10 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2d5z h LYS 11 Cb 0.23 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2d5z h LYS 11 CO -0.00 0.83 -0.00 0.00 -0.57 0.00 0.00 179.45 179.70 2d5z h ALA 12 N 1.38 0.03 -0.05 3.86 0.00 -1.26 -0.94 119.26 122.29 2d5z h ALA 12 Ca 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2d5z h ALA 12 Cb -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2d5z h ALA 12 CO -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.91 2d5z h ALA 13 N 0.66 0.07 0.00 0.00 0.00 -1.24 -2.35 119.26 116.40 2d5z h ALA 13 Ca 0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2d5z h ALA 13 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2d5z h ALA 13 CO 0.00 -0.26 -0.33 2.35 0.00 0.00 0.00 179.25 181.01 2d5z h TRP 14 N -0.20 0.00 -0.17 0.00 2.91 -1.03 -2.32 115.95 115.15 2d5z h TRP 14 Ca 0.01 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.97 2d5z h TRP 14 Cb 0.32 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.96 2d5z h TRP 14 CO 0.03 0.33 -0.19 0.78 -1.03 0.00 0.00 178.44 178.36 2d5z h GLY 15 N 1.10 0.32 2.00 2.65 0.00 -1.02 -2.78 103.07 105.34 2d5z h GLY 15 Ca -0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 2d5z h GLY 15 CO 0.04 0.20 -0.44 0.50 0.00 0.00 0.00 176.54 176.85 2d5z h LYS 16 N 0.27 0.00 0.28 4.80 1.79 -0.87 -3.16 116.57 119.69 2d5z h LYS 16 Ca 0.05 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 2d5z h LYS 16 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2d5z h LYS 16 CO 0.03 0.44 -0.14 0.28 -1.08 0.00 0.00 179.45 178.98 2d5z h VAL 17 N 0.00 0.74 0.00 0.50 2.07 -1.29 -3.46 116.25 114.81 2d5z h VAL 17 Ca -0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2d5z h VAL 17 Cb 1.05 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2d5z h VAL 17 CO 0.06 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.27 2d5z n GLY 18 N -1.14 3.38 0.00 2.17 0.00 -1.15 -1.17 105.19 107.28 2d5z n GLY 18 Ca -0.10 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.02 2d5z n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d5z n ALA 19 N 10.82 1.77 1.63 4.61 0.00 -1.26 -1.84 120.51 136.24 2d5z n ALA 19 Ca 0.00 -0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.53 2d5z n ALA 19 Cb 0.00 -1.23 0.73 0.00 0.00 0.00 0.00 19.45 18.95 2d5z n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2d5z n HIS 20 N -1.35 0.00 -0.19 0.00 -0.00 -0.32 -4.42 115.22 108.94 2d5z n HIS 20 Ca 0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.69 2d5z n HIS 20 Cb 0.13 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.99 29.98 2d5z n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2d5z h ALA 21 N 3.84 -0.34 -0.49 -1.41 0.00 -1.48 0.31 119.26 119.69 2d5z h ALA 21 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2d5z h ALA 21 Cb 0.25 0.95 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2d5z h ALA 21 CO 0.00 -0.83 0.30 0.78 0.00 0.00 0.00 179.25 179.50 2d5z h GLY 22 N -0.24 0.69 0.71 0.00 0.00 -1.83 -0.08 103.07 102.32 2d5z h GLY 22 Ca 0.17 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.31 2d5z h GLY 22 CO -0.67 0.20 0.09 -2.09 0.00 0.00 0.00 176.54 174.07 2d5z h GLU 23 N 0.60 0.22 -0.16 4.80 4.81 -1.67 -1.47 114.58 121.70 2d5z h GLU 23 Ca 0.19 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 2d5z h GLU 23 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2d5z h GLU 23 CO -0.08 0.14 -0.38 1.88 -0.73 0.00 0.00 179.01 179.84 2d5z h TYR 24 N 0.22 0.42 -0.51 0.92 0.05 -0.49 -0.89 116.97 116.69 2d5z h TYR 24 Ca 0.14 -0.11 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 2d5z h TYR 24 Cb 0.12 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 2d5z h TYR 24 CO -0.15 0.69 0.17 0.78 -1.05 0.00 0.00 178.16 178.60 2d5z h GLY 25 N 1.14 0.85 1.04 3.88 0.00 -0.72 -0.36 103.07 108.90 2d5z h GLY 25 Ca 0.03 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 2d5z h GLY 25 CO 0.06 0.47 0.02 0.00 0.00 0.00 0.00 176.54 177.09 2d5z h ALA 26 N 1.02 0.74 -0.44 3.60 0.00 -0.97 -1.33 119.26 121.89 2d5z h ALA 26 Ca 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2d5z h ALA 26 Cb 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2d5z h ALA 26 CO -0.01 0.55 0.21 1.49 0.00 0.00 0.00 179.25 181.49 2d5z h GLU 27 N 0.84 0.64 -0.76 0.00 4.81 -0.98 -0.77 114.58 118.36 2d5z h GLU 27 Ca 0.16 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2d5z h GLU 27 Cb 0.51 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 2d5z h GLU 27 CO 0.02 0.55 0.48 0.00 -0.73 0.00 0.00 179.01 179.33 2d5z h ALA 28 N 1.05 0.96 -0.26 2.92 0.00 -0.92 0.10 119.26 123.11 2d5z h ALA 28 Ca 0.15 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2d5z h ALA 28 Cb 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2d5z h ALA 28 CO -0.02 0.41 0.12 -0.07 0.00 0.00 0.00 179.25 179.69 2d5z h LEU 29 N 1.03 0.16 -0.56 0.00 3.38 -0.98 -0.23 115.31 118.12 2d5z h LEU 29 Ca 0.27 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.29 2d5z h LEU 29 Cb -0.07 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2d5z h LEU 29 CO -0.06 0.13 0.34 -0.08 0.09 0.00 0.00 178.44 178.86 2d5z h GLU 30 N 0.25 0.66 -0.66 1.13 4.81 -0.70 0.33 114.58 120.40 2d5z h GLU 30 Ca 0.11 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 2d5z h GLU 30 Cb 0.05 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.23 2d5z h GLU 30 CO -0.09 0.43 0.36 0.00 -0.73 0.00 0.00 179.01 178.98 2d5z h ARG 31 N 0.68 0.64 -0.16 1.92 3.08 -0.74 -1.44 114.38 118.35 2d5z h ARG 31 Ca 0.23 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2d5z h ARG 31 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2d5z h ARG 31 CO -0.10 0.42 0.04 1.98 -1.07 0.00 0.00 179.97 181.24 2d5z h MET 32 N 0.66 0.26 -0.39 0.04 4.05 -0.22 0.08 114.93 119.40 2d5z h MET 32 Ca 0.30 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.63 2d5z h MET 32 Cb 0.21 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 2d5z h MET 32 CO -0.20 0.40 0.13 0.74 0.23 0.00 0.00 176.91 178.22 2d5z h PHE 33 N 0.07 0.55 0.24 1.39 0.04 -0.66 0.21 116.94 118.78 2d5z h PHE 33 Ca 0.05 -0.02 -0.33 0.00 2.80 0.00 0.00 57.97 60.47 2d5z h PHE 33 Cb 0.26 -0.17 0.03 0.00 2.20 0.00 0.00 35.95 38.27 2d5z h PHE 33 CO 0.01 0.46 -1.47 -0.07 -0.60 0.00 0.00 178.31 176.64 2d5z h LEU 34 N 0.55 0.79 -0.01 1.54 3.38 -1.16 -3.20 115.31 117.19 2d5z h LEU 34 Ca 0.13 -0.92 -0.23 0.00 0.09 0.00 0.00 57.88 56.95 2d5z h LEU 34 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2d5z h LEU 34 CO -0.01 1.70 -1.06 0.28 0.09 0.00 0.00 178.44 179.44 2d5z h SER 35 N 0.09 0.19 -2.41 -0.43 0.02 -0.85 -3.39 113.55 106.77 2d5z h SER 35 Ca -0.26 -0.19 -0.59 0.00 -0.84 0.00 0.00 61.79 59.90 2d5z h SER 35 Cb 2.12 -0.06 -0.39 0.00 0.14 0.00 0.00 62.40 64.20 2d5z h SER 35 CO 0.25 1.12 -0.89 0.49 -1.14 0.00 0.00 176.83 176.66 2d5z n PHE 36 N -3.47 0.47 0.25 3.45 3.72 0.74 -5.00 117.46 117.61 2d5z n PHE 36 Ca -0.04 -3.65 0.18 0.00 -0.05 0.00 0.00 57.45 53.89 2d5z n PHE 36 Cb 0.94 -0.13 0.89 0.00 -0.94 0.00 0.00 39.48 40.24 2d5z n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2d5z h PRO 37 N 5.07 0.00 0.00 -1.08 0.11 -1.72 -1.14 132.00 133.24 2d5z h PRO 37 Ca 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 2d5z h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 2d5z h PRO 37 CO 0.51 0.00 -0.05 1.79 -0.21 0.00 0.00 178.00 180.04 2d5z h THR 38 N 0.00 0.44 0.00 -1.15 1.35 -1.91 -1.60 112.91 110.04 2d5z h THR 38 Ca 0.06 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.69 2d5z h THR 38 Cb 0.40 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2d5z h THR 38 CO -0.00 0.04 -0.03 0.71 -0.25 0.00 0.00 175.52 175.99 2d5z h THR 39 N 0.00 0.20 0.00 6.82 1.35 -1.52 -1.95 112.91 117.80 2d5z h THR 39 Ca -0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2d5z h THR 39 Cb 0.15 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2d5z h THR 39 CO 0.01 0.03 0.00 0.11 -0.25 0.00 0.00 175.52 175.42 2d5z h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.48 -2.72 116.57 118.66 2d5z h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2d5z h LYS 40 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2d5z h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 2d5z h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.53 -0.69 112.91 111.87 2d5z h THR 41 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2d5z h THR 41 Cb 0.21 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2d5z h THR 41 CO 0.00 0.00 -0.22 -1.22 -0.25 0.00 0.00 175.52 173.83 2d5z n TYR 42 N -2.86 0.00 -2.54 4.73 4.01 -1.03 -4.32 117.16 115.15 2d5z n TYR 42 Ca -0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.58 2d5z n TYR 42 Cb 0.11 -0.31 0.02 0.00 -0.31 0.00 0.00 39.34 38.86 2d5z n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2d5z n PHE 43 N -1.31 2.06 0.28 -0.72 3.01 -0.27 -4.86 117.46 115.65 2d5z n PHE 43 Ca 0.09 -2.64 0.17 0.00 1.01 0.00 0.00 57.45 56.08 2d5z n PHE 43 Cb 0.32 -0.26 0.76 0.00 -0.01 0.00 0.00 39.48 40.29 2d5z n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2d5z h PRO 44 N 2.66 0.00 -0.01 -1.08 0.13 -1.75 -1.41 132.00 130.54 2d5z h PRO 44 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2d5z h PRO 44 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2d5z h PRO 44 CO 0.57 0.04 -0.06 -2.39 -0.23 0.00 0.00 178.00 175.93 2d5z n HIS 45 N -3.20 0.00 -3.77 1.56 1.44 -1.26 -4.86 115.22 105.13 2d5z n HIS 45 Ca -0.00 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.37 2d5z n HIS 45 Cb 0.27 -0.05 -0.05 0.00 0.12 0.00 0.00 29.99 30.28 2d5z n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2d5z s PHE 46 N -2.16 3.56 -0.28 -1.40 0.40 -0.53 -5.07 117.98 112.49 2d5z s PHE 46 Ca 0.36 0.54 -0.26 0.00 -0.60 0.00 0.00 56.93 56.97 2d5z s PHE 46 Cb 0.21 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.77 2d5z s PHE 46 CO 0.40 0.59 0.90 0.34 0.70 0.00 0.00 175.22 178.14 2d5z s ASP 47 N -1.87 6.82 0.00 1.36 2.15 -1.26 -4.96 116.67 118.92 2d5z s ASP 47 Ca 0.30 0.94 0.21 0.00 0.43 0.00 0.00 52.55 54.43 2d5z s ASP 47 Cb -0.13 -2.46 0.45 0.00 -0.30 0.00 0.00 42.92 40.48 2d5z s ASP 47 CO 0.18 -0.66 1.39 0.18 -0.17 0.00 0.00 175.17 176.10 2d5z n LEU 48 N 6.33 3.48 -4.72 -1.34 4.77 -1.26 -4.50 117.00 119.75 2d5z n LEU 48 Ca 0.07 -1.64 -0.33 0.00 -0.03 0.00 0.00 56.01 54.08 2d5z n LEU 48 Cb 0.47 -0.29 0.10 0.00 -2.33 0.00 0.00 43.42 41.37 2d5z n LEU 48 CO 0.52 0.79 0.77 -0.94 -1.33 0.00 0.00 177.39 177.19 2d5z s SER 49 N -1.30 4.13 0.18 -1.43 1.04 -1.26 -4.92 113.70 110.14 2d5z s SER 49 Ca 0.39 2.26 -0.32 0.00 0.48 0.00 0.00 55.95 58.75 2d5z s SER 49 Cb 0.22 -2.58 -0.12 0.00 0.10 0.00 0.00 66.02 63.64 2d5z s SER 49 CO 0.30 -2.30 1.74 1.57 0.98 0.00 0.00 173.24 175.53 2d5z n HIS 50 N -2.95 2.66 -0.03 5.02 -0.00 -1.26 -2.17 115.22 116.49 2d5z n HIS 50 Ca 0.13 0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.33 2d5z n HIS 50 Cb 0.51 -2.67 0.00 0.00 -0.12 0.00 0.00 29.99 27.71 2d5z n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2d5z n GLY 51 N 3.97 0.72 3.75 1.57 0.00 -1.26 -5.05 105.19 108.90 2d5z n GLY 51 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2d5z n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d5z s SER 52 N -2.55 5.37 0.20 1.61 1.04 -0.92 -4.84 113.70 113.62 2d5z s SER 52 Ca 0.00 2.72 -0.08 0.00 0.48 0.00 0.00 55.95 59.07 2d5z s SER 52 Cb 0.00 -2.63 0.12 0.00 0.10 0.00 0.00 66.02 63.61 2d5z s SER 52 CO 0.00 -1.50 1.73 0.00 0.98 0.00 0.00 173.24 174.45 2d5z h ALA 53 N 1.54 0.96 -0.62 5.32 0.00 -1.91 -1.49 119.26 123.06 2d5z h ALA 53 Ca -0.51 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.07 2d5z h ALA 53 Cb 1.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2d5z h ALA 53 CO 0.58 0.67 0.04 1.96 0.00 0.00 0.00 179.25 182.49 2d5z h GLN 54 N 1.10 1.06 -0.31 0.00 4.20 -1.91 0.14 115.11 119.39 2d5z h GLN 54 Ca 0.23 -0.31 -0.14 0.00 0.06 0.00 0.00 58.65 58.48 2d5z h GLN 54 Cb 0.35 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2d5z h GLN 54 CO -0.00 1.01 -0.37 0.28 -0.67 0.00 0.00 178.83 179.08 2d5z h VAL 55 N 0.98 1.29 -0.41 -0.54 2.07 -1.74 -1.15 116.25 116.76 2d5z h VAL 55 Ca 0.18 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 2d5z h VAL 55 Cb 0.51 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 2d5z h VAL 55 CO 0.02 0.50 0.25 0.11 0.02 0.00 0.00 177.57 178.48 2d5z h LYS 56 N 0.57 0.55 -0.61 1.57 1.57 -1.03 0.84 116.57 120.03 2d5z h LYS 56 Ca 0.04 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2d5z h LYS 56 Cb 0.96 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 2d5z h LYS 56 CO 0.09 0.40 0.16 0.78 -0.57 0.00 0.00 179.45 180.31 2d5z h GLY 57 N 0.54 1.05 1.37 3.86 0.00 -0.70 -1.91 103.07 107.29 2d5z h GLY 57 Ca 0.15 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.67 2d5z h GLY 57 CO -0.03 0.61 -0.47 0.84 0.00 0.00 0.00 176.54 177.49 2d5z h HIS 58 N 0.89 0.82 -0.76 5.60 -0.00 -1.06 -2.55 115.15 118.09 2d5z h HIS 58 Ca 0.19 -0.27 0.05 0.00 -0.00 0.00 0.00 60.37 60.35 2d5z h HIS 58 Cb 0.34 -0.17 -0.06 0.00 -0.00 0.00 0.00 27.41 27.53 2d5z h HIS 58 CO 0.02 1.01 0.46 0.78 -0.00 0.00 0.00 177.93 180.21 2d5z h GLY 59 N 0.96 1.13 1.11 5.26 0.00 -0.61 -0.80 103.07 110.12 2d5z h GLY 59 Ca 0.03 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 2d5z h GLY 59 CO 0.10 0.23 0.17 1.70 0.00 0.00 0.00 176.54 178.73 2d5z h LYS 60 N 0.85 1.10 -0.29 4.80 1.63 -1.21 -1.65 116.57 121.80 2d5z h LYS 60 Ca 0.33 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 2d5z h LYS 60 Cb 0.15 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2d5z h LYS 60 CO -0.16 0.97 0.12 0.87 -3.45 0.00 0.00 179.45 177.80 2d5z h LYS 61 N 1.05 0.43 -0.29 1.90 1.57 -0.99 -0.42 116.57 119.81 2d5z h LYS 61 Ca 0.22 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2d5z h LYS 61 Cb 0.36 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2d5z h LYS 61 CO 0.00 0.43 0.16 0.28 -0.57 0.00 0.00 179.45 179.76 2d5z h VAL 62 N 0.32 1.13 -0.51 0.50 2.07 -1.07 -1.20 116.25 117.49 2d5z h VAL 62 Ca 0.10 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2d5z h VAL 62 Cb 0.16 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2d5z h VAL 62 CO -0.01 0.13 0.24 0.00 0.02 0.00 0.00 177.57 177.95 2d5z h ALA 63 N 1.04 0.66 -0.58 1.67 0.00 -1.20 -1.40 119.26 119.45 2d5z h ALA 63 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2d5z h ALA 63 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2d5z h ALA 63 CO -0.02 0.22 0.18 -0.44 0.00 0.00 0.00 179.25 179.19 2d5z h ASP 64 N 0.68 0.80 -0.64 0.00 3.32 -0.95 0.36 116.42 119.98 2d5z h ASP 64 Ca 0.17 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 2d5z h ASP 64 Cb 0.12 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 2d5z h ASP 64 CO -0.02 0.76 0.23 0.00 -1.72 0.00 0.00 179.24 178.49 2d5z h ALA 65 N 1.35 0.84 -0.75 3.45 0.00 -0.82 -0.79 119.26 122.54 2d5z h ALA 65 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2d5z h ALA 65 Cb 0.25 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2d5z h ALA 65 CO -0.01 0.48 0.44 -0.07 0.00 0.00 0.00 179.25 180.09 2d5z h LEU 66 N 0.91 0.91 -0.90 0.00 3.38 -0.70 -0.20 115.31 118.71 2d5z h LEU 66 Ca 0.21 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2d5z h LEU 66 Cb 0.25 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2d5z h LEU 66 CO -0.01 0.71 0.59 0.74 0.09 0.00 0.00 178.44 180.56 2d5z h THR 67 N 1.02 1.18 -0.46 0.22 2.02 -0.58 -0.10 112.91 116.21 2d5z h THR 67 Ca 0.27 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 2d5z h THR 67 Cb -0.02 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.29 2d5z h THR 67 CO -0.05 0.21 0.19 -1.13 0.37 0.00 0.00 175.52 175.12 2d5z h ASN 68 N 1.16 0.63 -0.76 4.18 -1.24 -0.75 -0.93 115.58 117.87 2d5z h ASN 68 Ca 0.35 -0.16 0.01 0.00 0.71 0.00 0.00 56.30 57.20 2d5z h ASN 68 Cb -0.05 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 38.80 2d5z h ASN 68 CO -0.10 0.61 0.50 0.00 -1.29 0.00 0.00 177.43 177.15 2d5z h ALA 69 N 1.04 0.97 -0.53 1.57 0.00 -0.43 -1.83 119.26 120.05 2d5z h ALA 69 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2d5z h ALA 69 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2d5z h ALA 69 CO -0.01 0.39 0.26 0.28 0.00 0.00 0.00 179.25 180.17 2d5z h VAL 70 N 1.03 1.20 0.00 0.00 2.07 -0.84 -1.72 116.25 117.98 2d5z h VAL 70 Ca 0.28 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2d5z h VAL 70 Cb -0.10 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2d5z h VAL 70 CO -0.06 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.75 2d5z h ALA 71 N 1.10 1.00 -1.07 1.67 0.00 -0.71 -2.94 119.26 118.31 2d5z h ALA 71 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.65 2d5z h ALA 71 Cb 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.49 2d5z h ALA 71 CO -0.02 0.00 -0.99 0.72 0.00 0.00 0.00 179.25 178.95 2d5z n HIS 72 N -3.06 2.09 0.26 0.00 8.25 -0.73 -4.92 115.22 117.11 2d5z n HIS 72 Ca -0.02 -2.75 0.11 0.00 -0.26 0.00 0.00 57.72 54.80 2d5z n HIS 72 Cb 0.14 -0.26 0.69 0.00 1.12 0.00 0.00 29.99 31.68 2d5z n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2d5z h VAL 73 N 3.13 0.71 0.00 1.59 3.04 -1.15 -1.42 116.25 122.15 2d5z h VAL 73 Ca 0.08 -0.49 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 2d5z h VAL 73 Cb 1.14 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2d5z h VAL 73 CO 0.60 0.12 -0.12 0.47 -1.01 0.00 0.00 177.57 177.63 2d5z n ASP 74 N -3.84 0.55 -2.93 3.17 8.00 -1.26 -4.33 116.55 115.90 2d5z n ASP 74 Ca -0.02 0.44 -0.13 0.00 0.71 0.00 0.00 54.79 55.78 2d5z n ASP 74 Cb 0.22 -0.51 0.02 0.00 -0.02 0.00 0.00 41.12 40.83 2d5z n ASP 74 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2d5z n ASP 75 N -1.98 0.04 -0.20 -2.24 3.85 -0.57 -4.99 116.55 110.46 2d5z n ASP 75 Ca 0.06 -3.04 -0.05 0.00 -0.71 0.00 0.00 54.79 51.05 2d5z n ASP 75 Cb 0.40 0.09 0.12 0.00 -1.35 0.00 0.00 41.12 40.38 2d5z n ASP 75 CO 0.00 0.00 0.00 0.24 -1.01 0.00 0.00 177.20 176.43 2d5z h MET 76 N 2.90 1.01 -0.71 0.11 2.86 -1.67 -2.29 114.93 117.14 2d5z h MET 76 Ca -0.02 -0.21 0.12 0.00 -2.06 0.00 0.00 59.70 57.53 2d5z h MET 76 Cb 1.08 -0.15 -0.08 0.00 0.06 0.00 0.00 31.60 32.50 2d5z h MET 76 CO 0.37 0.88 0.29 -1.35 1.06 0.00 0.00 176.91 178.15 2d5z h PRO 77 N 0.97 0.45 -0.05 -0.22 0.11 -1.94 0.41 132.00 131.72 2d5z h PRO 77 Ca 0.21 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 2d5z h PRO 77 Cb 0.30 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 2d5z h PRO 77 CO -0.00 0.30 -0.06 -0.91 -0.21 0.00 0.00 178.00 177.12 2d5z h ASN 78 N 0.46 0.14 -0.30 -2.05 2.35 -1.93 -2.86 115.58 111.39 2d5z h ASN 78 Ca 0.37 -0.50 0.06 0.00 -0.55 0.00 0.00 56.30 55.69 2d5z h ASN 78 Cb 0.51 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 2d5z h ASN 78 CO -0.36 0.61 0.21 0.00 -1.65 0.00 0.00 177.43 176.24 2d5z h ALA 79 N 0.53 2.11 -0.41 -0.83 0.00 -1.07 -2.22 119.26 117.38 2d5z h ALA 79 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d5z h ALA 79 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2d5z h ALA 79 CO 0.01 -0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.37 2d5z n LEU 80 N -4.48 4.41 -0.14 0.00 4.32 0.10 -4.74 117.00 116.48 2d5z n LEU 80 Ca 0.04 -2.82 -0.06 0.00 -0.02 0.00 0.00 56.01 53.15 2d5z n LEU 80 Cb 0.28 -0.56 0.03 0.00 -1.62 0.00 0.00 43.42 41.55 2d5z n LEU 80 CO 0.35 0.69 0.99 -1.28 -1.22 0.00 0.00 177.39 176.92 2d5z h SER 81 N 2.72 0.30 -0.30 -1.43 0.87 -1.15 0.10 113.55 114.66 2d5z h SER 81 Ca 0.00 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.50 2d5z h SER 81 Cb 1.52 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 2d5z h SER 81 CO 0.27 0.22 -0.10 0.00 -0.53 0.00 0.00 176.83 176.69 2d5z h ALA 82 N 1.23 1.07 -0.35 6.23 0.00 -1.85 -1.55 119.26 124.05 2d5z h ALA 82 Ca 0.19 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2d5z h ALA 82 Cb 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2d5z h ALA 82 CO -0.14 0.57 -0.45 1.25 0.00 0.00 0.00 179.25 180.49 2d5z h LEU 83 N 0.65 0.98 -0.75 0.00 5.85 -1.67 -1.49 115.31 118.88 2d5z h LEU 83 Ca 0.11 -0.48 -0.11 0.00 0.84 0.00 0.00 57.88 58.24 2d5z h LEU 83 Cb 0.55 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2d5z h LEU 83 CO 0.03 1.28 -0.25 0.77 -0.34 0.00 0.00 178.44 179.93 2d5z h SER 84 N 0.72 0.69 -0.34 1.25 4.64 -0.93 -1.14 113.55 118.45 2d5z h SER 84 Ca 0.04 -0.25 0.04 0.00 -0.47 0.00 0.00 61.79 61.16 2d5z h SER 84 Cb 1.05 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.91 2d5z h SER 84 CO 0.11 0.91 0.10 0.44 -0.87 0.00 0.00 176.83 177.52 2d5z h ASP 85 N 0.59 0.08 -0.43 4.97 3.32 -1.20 -1.49 116.42 122.27 2d5z h ASP 85 Ca 0.08 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2d5z h ASP 85 Cb 0.73 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2d5z h ASP 85 CO 0.06 0.08 0.07 0.25 -1.72 0.00 0.00 179.24 177.98 2d5z h LEU 86 N 0.23 0.68 -0.49 1.55 5.85 -0.94 0.12 115.31 122.31 2d5z h LEU 86 Ca 0.16 -0.26 -0.14 0.00 0.84 0.00 0.00 57.88 58.47 2d5z h LEU 86 Cb 0.15 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2d5z h LEU 86 CO -0.18 0.76 -0.32 0.45 -0.34 0.00 0.00 178.44 178.82 2d5z h HIS 87 N 0.56 1.06 -0.39 1.25 3.86 -1.19 -0.93 115.15 119.36 2d5z h HIS 87 Ca 0.13 -0.29 -0.16 0.00 -1.16 0.00 0.00 60.37 58.89 2d5z h HIS 87 Cb 0.37 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 2d5z h HIS 87 CO 0.03 1.09 -0.37 0.00 0.86 0.00 0.00 177.93 179.54 2d5z h ALA 88 N 0.87 0.59 0.00 2.45 0.00 -1.08 0.43 119.26 122.53 2d5z h ALA 88 Ca 0.08 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2d5z h ALA 88 Cb 0.89 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2d5z h ALA 88 CO 0.08 0.68 -2.05 0.72 0.00 0.00 0.00 179.25 178.68 2d5z n HIS 89 N -4.06 0.00 0.03 0.00 8.25 0.01 -4.60 115.22 114.85 2d5z n HIS 89 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2d5z n HIS 89 Cb 0.54 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 31.03 2d5z n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2d5z n LYS 90 N -2.37 0.00 -0.07 -0.41 4.81 -0.64 -4.88 118.16 114.60 2d5z n LYS 90 Ca -0.13 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.20 2d5z n LYS 90 Cb 0.73 -0.25 -0.05 0.00 0.02 0.00 0.00 35.03 35.48 2d5z n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2d5z h LEU 91 N 0.00 0.36 -1.09 3.14 3.38 -1.30 -3.47 115.31 116.33 2d5z h LEU 91 Ca 0.00 -0.30 -0.38 0.00 0.09 0.00 0.00 57.88 57.29 2d5z h LEU 91 Cb 0.00 -0.10 0.15 0.00 0.09 0.00 0.00 40.66 40.80 2d5z h LEU 91 CO 0.00 0.57 -0.71 0.54 0.09 0.00 0.00 178.44 178.93 2d5z n ARG 92 N -4.69 -7.57 -2.28 1.13 1.74 0.15 -4.93 116.66 100.20 2d5z n ARG 92 Ca -0.04 0.83 -0.42 0.00 -0.77 0.00 0.00 57.85 57.45 2d5z n ARG 92 Cb 0.22 -5.88 -0.03 0.00 -1.02 0.00 0.00 32.46 25.76 2d5z n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2d5z s VAL 93 N -3.33 3.66 0.22 1.55 1.01 -1.26 -4.97 120.40 117.29 2d5z s VAL 93 Ca 0.42 1.18 -0.32 0.00 0.00 0.00 0.00 61.98 63.25 2d5z s VAL 93 Cb -0.18 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.31 2d5z s VAL 93 CO 0.73 0.08 1.49 -0.67 0.00 0.00 0.00 175.10 176.73 2d5z n ASP 94 N 4.15 3.03 -0.17 3.32 -0.08 -1.26 -4.85 116.55 120.70 2d5z n ASP 94 Ca 0.11 1.12 0.29 0.00 -1.51 0.00 0.00 54.79 54.80 2d5z n ASP 94 Cb 0.44 -1.45 0.72 0.00 2.34 0.00 0.00 41.12 43.17 2d5z n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2d5z h PRO 95 N 4.89 0.00 0.00 -0.67 0.11 -2.00 -1.63 132.00 132.70 2d5z h PRO 95 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2d5z h PRO 95 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2d5z h PRO 95 CO 0.81 0.00 -0.10 -0.24 -0.21 0.00 0.00 178.00 178.25 2d5z h VAL 96 N 0.00 0.96 0.00 3.15 3.04 -2.03 -2.15 116.25 119.23 2d5z h VAL 96 Ca 0.42 -0.37 -0.02 0.00 -1.01 0.00 0.00 66.70 65.72 2d5z h VAL 96 Cb 1.77 1.20 -0.00 0.00 -2.01 0.00 0.00 31.29 32.25 2d5z h VAL 96 CO -0.00 0.10 -0.12 0.78 -1.01 0.00 0.00 177.57 177.32 2d5z h ASN 97 N 0.00 0.00 0.05 3.17 2.35 -1.65 -1.15 115.58 118.35 2d5z h ASN 97 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 2d5z h ASN 97 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2d5z h ASN 97 CO 0.01 0.12 -0.17 -0.26 -1.65 0.00 0.00 177.43 175.48 2d5z h PHE 98 N 0.00 0.26 -0.45 1.19 -1.00 -1.56 -1.09 116.94 114.29 2d5z h PHE 98 Ca -0.00 -0.04 -0.12 0.00 2.81 0.00 0.00 57.97 60.62 2d5z h PHE 98 Cb 0.36 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 2d5z h PHE 98 CO 0.00 0.42 -0.19 0.87 -1.61 0.00 0.00 178.31 177.79 2d5z h LYS 99 N 0.23 0.90 -0.02 1.51 1.57 -1.33 -0.24 116.57 119.19 2d5z h LYS 99 Ca 0.04 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2d5z h LYS 99 Cb 0.45 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2d5z h LYS 99 CO 0.03 1.01 0.01 -0.07 -0.57 0.00 0.00 179.45 179.86 2d5z h LEU 100 N 0.79 0.03 -0.46 2.94 3.38 -1.25 -1.31 115.31 119.42 2d5z h LEU 100 Ca 0.11 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 2d5z h LEU 100 Cb 0.74 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2d5z h LEU 100 CO 0.06 0.23 -0.17 0.25 0.09 0.00 0.00 178.44 178.90 2d5z h LEU 101 N -0.18 0.95 -0.46 1.67 5.85 -1.18 -1.79 115.31 120.18 2d5z h LEU 101 Ca 0.01 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.40 2d5z h LEU 101 Cb 0.22 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2d5z h LEU 101 CO -0.00 1.12 0.15 0.28 -0.34 0.00 0.00 178.44 179.66 2d5z h SER 102 N 0.78 0.15 -0.62 1.25 0.02 -0.97 0.27 113.55 114.43 2d5z h SER 102 Ca 0.11 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2d5z h SER 102 Cb 0.74 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 2d5z h SER 102 CO 0.06 0.11 0.39 -0.74 -1.14 0.00 0.00 176.83 175.51 2d5z h HIS 103 N 0.32 0.81 -0.10 3.45 -0.00 -1.04 -0.78 115.15 117.80 2d5z h HIS 103 Ca 0.22 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.51 2d5z h HIS 103 Cb 0.23 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 2d5z h HIS 103 CO -0.17 0.54 -0.32 0.00 -0.00 0.00 0.00 177.93 177.98 2d5z h LEU 105 N 0.17 0.76 -0.48 0.00 3.38 -0.12 -1.55 115.31 117.48 2d5z h LEU 105 Ca 0.02 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.67 2d5z h LEU 105 Cb 0.66 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2d5z h LEU 105 CO 0.05 0.93 0.29 -0.07 0.09 0.00 0.00 178.44 179.72 2d5z h LEU 106 N 0.59 0.46 -0.64 1.67 3.38 -0.65 -1.05 115.31 119.07 2d5z h LEU 106 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2d5z h LEU 106 Cb 0.57 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2d5z h LEU 106 CO 0.03 0.33 0.38 0.58 0.09 0.00 0.00 178.44 179.85 2d5z h VAL 107 N 0.57 1.19 -0.27 1.22 2.07 -1.02 0.52 116.25 120.52 2d5z h VAL 107 Ca 0.19 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2d5z h VAL 107 Cb 0.02 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2d5z h VAL 107 CO -0.09 0.20 0.15 0.74 0.02 0.00 0.00 177.57 178.59 2d5z h THR 108 N 0.86 1.12 -0.56 2.57 2.02 -1.05 -0.48 112.91 117.38 2d5z h THR 108 Ca 0.23 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2d5z h THR 108 Cb -0.01 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2d5z h THR 108 CO -0.04 0.12 0.32 -0.07 0.37 0.00 0.00 175.52 176.22 2d5z h LEU 109 N 0.33 0.69 -0.87 2.58 3.38 -0.85 -2.18 115.31 118.40 2d5z h LEU 109 Ca 0.10 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2d5z h LEU 109 Cb 0.05 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 2d5z h LEU 109 CO -0.02 0.57 0.53 0.00 0.09 0.00 0.00 178.44 179.62 2d5z h ALA 110 N 1.15 1.20 0.00 1.53 0.00 -0.58 0.84 119.26 123.40 2d5z h ALA 110 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2d5z h ALA 110 Cb 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2d5z h ALA 110 CO -0.03 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.48 2d5z n ALA 111 N -2.36 1.87 0.15 0.00 0.00 -0.22 -3.28 120.51 116.68 2d5z n ALA 111 Ca 0.13 0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.61 2d5z n ALA 111 Cb 0.19 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 2d5z n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2d5z n HIS 112 N -2.07 0.00 -3.07 0.00 -0.00 -0.81 -4.82 115.22 104.44 2d5z n HIS 112 Ca 0.04 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.50 2d5z n HIS 112 Cb 0.28 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.22 2d5z n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2d5z n LEU 113 N -0.97 3.75 -0.26 2.41 4.77 0.23 -4.93 117.00 122.00 2d5z n LEU 113 Ca 0.01 -5.52 0.20 0.00 -0.03 0.00 0.00 56.01 50.66 2d5z n LEU 113 Cb 0.05 -0.38 0.52 0.00 -2.33 0.00 0.00 43.42 41.28 2d5z n LEU 113 CO 0.06 2.28 1.23 1.55 -1.33 0.00 0.00 177.39 181.18 2d5z h PRO 114 N 3.26 0.39 0.10 3.23 0.13 -1.85 -2.17 132.00 135.08 2d5z h PRO 114 Ca 0.14 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 65.04 2d5z h PRO 114 Cb 0.60 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2d5z h PRO 114 CO 0.77 0.26 -0.98 0.00 -0.23 0.00 0.00 178.00 177.82 2d5z h ALA 115 N 1.61 0.06 0.00 -0.56 0.00 -1.94 -3.40 119.26 115.02 2d5z h ALA 115 Ca 0.49 -0.87 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 2d5z h ALA 115 Cb 1.25 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2d5z h ALA 115 CO -0.19 0.53 -0.82 0.93 0.00 0.00 0.00 179.25 179.70 2d5z h GLU 116 N -0.49 0.00 -3.06 0.00 3.07 -1.90 -3.39 114.58 108.81 2d5z h GLU 116 Ca -0.21 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.05 2d5z h GLU 116 Cb 1.57 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 29.50 2d5z h GLU 116 CO 0.06 0.52 3.52 0.34 -1.40 0.00 0.00 179.01 182.05 2d5z n PHE 117 N -3.15 2.16 -1.31 4.33 7.35 -0.84 -4.72 117.46 121.26 2d5z n PHE 117 Ca -0.02 -2.84 -0.29 0.00 -0.76 0.00 0.00 57.45 53.54 2d5z n PHE 117 Cb 0.80 -2.32 0.14 0.00 0.35 0.00 0.00 39.48 38.44 2d5z n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2d5z s THR 118 N 2.38 2.54 0.25 -2.13 -4.23 -1.26 -4.73 115.64 108.46 2d5z s THR 118 Ca 0.64 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 61.30 2d5z s THR 118 Cb 0.17 -2.75 0.23 0.00 1.34 0.00 0.00 72.50 71.48 2d5z s THR 118 CO -0.05 -0.23 1.80 -0.65 -0.54 0.00 0.00 174.62 174.94 2d5z h PRO 119 N -1.52 0.73 -0.51 3.99 0.11 -1.99 0.64 132.00 133.45 2d5z h PRO 119 Ca -0.50 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 2d5z h PRO 119 Cb 1.30 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2d5z h PRO 119 CO 0.57 0.48 -0.07 0.00 -0.21 0.00 0.00 178.00 178.77 2d5z h ALA 120 N 1.49 0.91 -0.12 -0.75 0.00 -1.96 -1.70 119.26 117.13 2d5z h ALA 120 Ca 0.42 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 2d5z h ALA 120 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2d5z h ALA 120 CO -0.28 0.64 -0.76 0.28 0.00 0.00 0.00 179.25 179.12 2d5z h VAL 121 N 0.83 1.32 -0.32 0.00 2.07 -1.73 -1.68 116.25 116.74 2d5z h VAL 121 Ca 0.14 -2.05 0.06 0.00 0.82 0.00 0.00 66.70 65.67 2d5z h VAL 121 Cb 0.59 2.04 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 2d5z h VAL 121 CO 0.04 0.63 -0.02 -0.74 0.02 0.00 0.00 177.57 177.50 2d5z h HIS 122 N 0.43 -0.06 -0.48 1.57 6.17 -0.79 0.13 115.15 122.13 2d5z h HIS 122 Ca -0.04 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.06 2d5z h HIS 122 Cb 1.37 0.08 -0.02 0.00 2.52 0.00 0.00 27.41 31.35 2d5z h HIS 122 CO 0.07 -0.08 0.31 0.00 0.71 0.00 0.00 177.93 178.93 2d5z h ALA 123 N 1.29 0.60 -0.33 5.26 0.00 -1.17 -1.14 119.26 123.78 2d5z h ALA 123 Ca 0.16 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2d5z h ALA 123 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2d5z h ALA 123 CO -0.28 0.06 -0.13 0.77 0.00 0.00 0.00 179.25 179.67 2d5z h SER 124 N 0.64 0.69 -0.87 0.00 0.02 -0.91 -1.80 113.55 111.31 2d5z h SER 124 Ca 0.17 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2d5z h SER 124 Cb -0.05 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 2d5z h SER 124 CO -0.04 0.93 0.53 -0.07 -1.14 0.00 0.00 176.83 177.04 2d5z h LEU 125 N 0.45 1.05 -0.54 5.07 3.38 -0.64 -0.27 115.31 123.82 2d5z h LEU 125 Ca 0.08 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2d5z h LEU 125 Cb 0.66 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2d5z h LEU 125 CO 0.04 0.81 -0.05 -0.78 0.09 0.00 0.00 178.44 178.55 2d5z h ASP 126 N 1.21 0.98 -0.53 -0.43 3.58 -1.02 0.01 116.42 120.22 2d5z h ASP 126 Ca 0.32 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2d5z h ASP 126 Cb -0.05 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.71 2d5z h ASP 126 CO -0.06 1.07 0.35 0.11 -2.88 0.00 0.00 179.24 177.83 2d5z h LYS 127 N 0.86 0.71 -0.29 0.28 1.57 -1.06 -1.58 116.57 117.05 2d5z h LYS 127 Ca 0.15 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2d5z h LYS 127 Cb 0.60 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2d5z h LYS 127 CO 0.04 0.47 0.12 0.35 -0.57 0.00 0.00 179.45 179.86 2d5z h PHE 128 N 0.72 0.22 -0.37 -1.35 3.57 -0.70 0.79 116.94 119.81 2d5z h PHE 128 Ca 0.19 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 2d5z h PHE 128 Cb -0.07 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2d5z h PHE 128 CO -0.04 0.11 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.94 2d5z h LEU 129 N 0.26 0.66 -0.72 0.59 3.38 -0.85 0.01 115.31 118.64 2d5z h LEU 129 Ca 0.12 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 2d5z h LEU 129 Cb 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2d5z h LEU 129 CO -0.11 0.82 -0.09 0.00 0.09 0.00 0.00 178.44 179.15 2d5z h ALA 130 N 1.24 0.91 -0.21 1.53 0.00 -1.04 -0.35 119.26 121.34 2d5z h ALA 130 Ca 0.10 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2d5z h ALA 130 Cb 0.59 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2d5z h ALA 130 CO 0.04 0.63 0.12 1.03 0.00 0.00 0.00 179.25 181.07 2d5z h SER 131 N 0.80 0.26 -0.25 0.00 0.87 -0.28 -0.35 113.55 114.61 2d5z h SER 131 Ca 0.13 -0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2d5z h SER 131 Cb 0.61 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2d5z h SER 131 CO 0.04 0.27 0.12 0.58 -0.53 0.00 0.00 176.83 177.31 2d5z h VAL 132 N 0.23 0.99 -0.76 2.23 2.07 -0.84 -1.42 116.25 118.76 2d5z h VAL 132 Ca 0.07 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.56 2d5z h VAL 132 Cb 0.07 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 2d5z h VAL 132 CO -0.01 0.05 0.46 0.28 0.02 0.00 0.00 177.57 178.36 2d5z h SER 133 N 0.26 0.71 -0.45 0.57 0.02 -0.90 0.35 113.55 114.10 2d5z h SER 133 Ca 0.10 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2d5z h SER 133 Cb 0.03 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2d5z h SER 133 CO -0.07 0.46 0.29 0.74 -1.14 0.00 0.00 176.83 177.11 2d5z h THR 134 N 0.84 1.12 -0.46 -2.27 2.02 -0.69 -1.74 112.91 111.74 2d5z h THR 134 Ca 0.33 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 2d5z h THR 134 Cb 0.15 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2d5z h THR 134 CO -0.17 0.12 0.22 0.58 0.37 0.00 0.00 175.52 176.65 2d5z h VAL 135 N 0.60 1.18 0.00 3.16 2.07 -0.63 -1.14 116.25 121.50 2d5z h VAL 135 Ca 0.16 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2d5z h VAL 135 Cb -0.06 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2d5z h VAL 135 CO -0.03 0.20 -0.02 -0.07 0.02 0.00 0.00 177.57 177.67 2d5z h LEU 136 N 0.60 0.00 -2.12 2.57 3.38 -0.61 -2.44 115.31 116.70 2d5z h LEU 136 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2d5z h LEU 136 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2d5z h LEU 136 CO -0.02 0.02 0.00 0.35 0.09 0.00 0.00 178.44 178.88 2d5z n THR 137 N -3.16 0.45 0.31 0.22 -2.24 -0.69 -4.47 114.28 104.70 2d5z n THR 137 Ca -0.01 -0.72 0.19 0.00 -2.27 0.00 0.00 64.05 61.23 2d5z n THR 137 Cb 0.19 0.93 0.90 0.00 -2.10 0.00 0.00 70.33 70.26 2d5z n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2d5z h SER 138 N 2.57 0.00 -0.33 3.42 4.64 -0.70 -2.68 113.55 120.48 2d5z h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2d5z h SER 138 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2d5z h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2d5z n LYS 139 N -2.95 2.90 0.01 4.77 5.02 -1.26 -4.71 118.16 121.93 2d5z n LYS 139 Ca -0.01 -2.24 0.02 0.00 -2.02 0.00 0.00 58.31 54.05 2d5z n LYS 139 Cb 0.17 -1.41 0.36 0.00 -0.02 0.00 0.00 35.03 34.13 2d5z n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2d5z h TYR 140 N 1.97 0.51 0.00 2.13 -1.99 -1.80 -3.46 116.97 114.33 2d5z h TYR 140 Ca 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2d5z h TYR 140 Cb 0.91 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.48 2d5z h TYR 140 CO 0.30 0.43 0.00 2.89 -0.00 0.00 0.00 178.16 181.78