#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwh s LEU 2 N 0.00 4.24 1.08 6.55 1.43 -1.26 -5.05 118.68 125.67 1iwh s LEU 2 Ca 0.00 1.95 -0.13 0.00 -1.03 0.00 0.00 54.13 54.93 1iwh s LEU 2 Cb 0.00 -4.09 0.21 0.00 0.03 0.00 0.00 46.19 42.34 1iwh s LEU 2 CO 0.00 -0.28 0.90 -1.54 0.23 0.00 0.00 176.35 175.66 1iwh n SER 3 N 0.25 -1.23 -0.23 2.29 3.41 -1.26 -4.72 113.62 112.13 1iwh n SER 3 Ca 0.03 0.05 -0.05 0.00 -0.26 0.00 0.00 58.87 58.64 1iwh n SER 3 Cb 0.50 -1.29 0.11 0.00 -0.26 0.00 0.00 64.21 63.27 1iwh n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iwh h ALA 4 N -2.32 1.10 -0.64 7.33 0.00 -1.99 -0.40 119.26 122.34 1iwh h ALA 4 Ca -0.54 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.09 1iwh h ALA 4 Cb 1.31 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1iwh h ALA 4 CO 0.44 0.62 0.09 0.00 0.00 0.00 0.00 179.25 180.41 1iwh h ALA 5 N 1.23 0.95 -0.35 0.00 0.00 -1.99 -1.30 119.26 117.79 1iwh h ALA 5 Ca 0.23 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1iwh h ALA 5 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1iwh h ALA 5 CO -0.01 0.65 -0.12 -0.44 0.00 0.00 0.00 179.25 179.32 1iwh h ASP 6 N 0.99 0.72 -0.85 0.00 3.32 -1.81 -0.92 116.42 117.86 1iwh h ASP 6 Ca 0.19 -0.38 0.06 0.00 0.02 0.00 0.00 57.03 56.92 1iwh h ASP 6 Cb 0.44 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.74 1iwh h ASP 6 CO 0.01 0.94 0.53 0.11 -1.72 0.00 0.00 179.24 179.11 1iwh h LYS 7 N 0.49 0.94 -0.25 3.56 1.57 -0.84 0.11 116.57 122.15 1iwh h LYS 7 Ca 0.08 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1iwh h LYS 7 Cb 0.65 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1iwh h LYS 7 CO 0.04 0.62 0.15 1.15 -0.57 0.00 0.00 179.45 180.85 1iwh h THR 8 N 0.97 1.09 -0.79 -0.16 2.02 -0.98 0.12 112.91 115.18 1iwh h THR 8 Ca 0.37 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1iwh h THR 8 Cb 0.17 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1iwh h THR 8 CO -0.17 0.09 0.43 0.78 0.37 0.00 0.00 175.52 177.02 1iwh h ASN 9 N 0.32 1.00 -0.29 4.18 -0.26 -0.58 -1.53 115.58 118.42 1iwh h ASN 9 Ca 0.09 -0.10 -0.06 0.00 -0.56 0.00 0.00 56.30 55.67 1iwh h ASN 9 Cb 0.01 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1iwh h ASN 9 CO -0.02 0.81 -0.06 0.58 -1.06 0.00 0.00 177.43 177.69 1iwh h VAL 10 N 1.10 1.28 -0.53 2.81 2.07 -0.52 0.77 116.25 123.23 1iwh h VAL 10 Ca 0.28 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 1iwh h VAL 10 Cb 0.04 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1iwh h VAL 10 CO -0.04 0.34 0.07 0.11 0.02 0.00 0.00 177.57 178.07 1iwh h LYS 11 N 0.32 0.84 -0.12 1.57 1.57 -0.90 -0.79 116.57 119.05 1iwh h LYS 11 Ca 0.07 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1iwh h LYS 11 Cb 0.53 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1iwh h LYS 11 CO 0.03 0.79 0.04 0.00 -0.57 0.00 0.00 179.45 179.74 1iwh h ALA 12 N 1.28 0.16 -0.70 3.86 0.00 -1.08 -1.41 119.26 121.38 1iwh h ALA 12 Ca 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1iwh h ALA 12 Cb 0.37 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1iwh h ALA 12 CO 0.01 -0.23 0.34 0.00 0.00 0.00 0.00 179.25 179.37 1iwh h ALA 13 N 0.86 0.91 0.00 0.00 0.00 -0.66 -1.84 119.26 118.53 1iwh h ALA 13 Ca 0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1iwh h ALA 13 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1iwh h ALA 13 CO -0.00 0.47 -0.23 2.35 0.00 0.00 0.00 179.25 181.84 1iwh h TRP 14 N 0.98 0.00 0.00 0.00 2.91 -1.03 -0.01 115.95 118.80 1iwh h TRP 14 Ca 0.24 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.20 1iwh h TRP 14 Cb 0.11 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.75 1iwh h TRP 14 CO 0.01 0.23 -0.29 0.66 -1.03 0.00 0.00 178.44 178.01 1iwh h SER 15 N 0.00 0.00 1.40 2.65 4.64 -0.38 -2.34 113.55 119.52 1iwh h SER 15 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iwh h SER 15 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1iwh h SER 15 CO 0.03 0.29 0.00 0.11 -0.87 0.00 0.00 176.83 176.39 1iwh h LYS 16 N 0.00 0.00 0.00 4.77 6.56 -0.86 -2.03 116.57 125.02 1iwh h LYS 16 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1iwh h LYS 16 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1iwh h LYS 16 CO 0.04 0.00 0.00 0.28 -2.06 0.00 0.00 179.45 177.71 1iwh h VAL 17 N 0.00 0.00 0.00 0.50 2.07 -1.17 -3.47 116.25 114.17 1iwh h VAL 17 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1iwh h VAL 17 Cb 0.70 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1iwh h VAL 17 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1iwh n GLY 18 N -0.82 3.06 2.03 2.17 0.00 -0.76 -1.15 105.19 109.71 1iwh n GLY 18 Ca -0.02 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 1iwh n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwh n GLY 19 N 0.00 4.24 0.79 -0.02 0.00 -1.26 -4.50 105.19 104.44 1iwh n GLY 19 Ca 0.00 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 45.03 1iwh n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1iwh n HIS 20 N -0.79 0.53 -0.34 1.61 8.25 -0.30 -4.54 115.22 119.64 1iwh n HIS 20 Ca 0.50 -0.27 -0.02 0.00 -0.26 0.00 0.00 57.72 57.68 1iwh n HIS 20 Cb 1.51 0.00 0.14 0.00 1.12 0.00 0.00 29.99 32.76 1iwh n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1iwh h ALA 21 N 3.86 1.31 -0.16 -1.41 0.00 -1.79 0.12 119.26 121.19 1iwh h ALA 21 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1iwh h ALA 21 Cb 0.59 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1iwh h ALA 21 CO 0.00 0.63 -0.57 0.78 0.00 0.00 0.00 179.25 180.09 1iwh h GLY 22 N 1.28 0.54 0.91 0.00 0.00 -1.80 0.14 103.07 104.13 1iwh h GLY 22 Ca 0.34 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1iwh h GLY 22 CO -0.07 0.58 0.08 -2.09 0.00 0.00 0.00 176.54 175.04 1iwh h GLU 23 N 0.37 0.51 -0.43 4.80 4.81 -1.72 -1.11 114.58 121.81 1iwh h GLU 23 Ca 0.00 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1iwh h GLU 23 Cb 1.11 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1iwh h GLU 23 CO 0.10 0.57 -0.10 1.88 -0.73 0.00 0.00 179.01 180.73 1iwh h TYR 24 N 0.36 0.84 -0.70 0.92 0.05 -0.84 -1.19 116.97 116.41 1iwh h TYR 24 Ca 0.10 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 1iwh h TYR 24 Cb 0.29 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 1iwh h TYR 24 CO 0.01 0.83 0.31 0.78 -1.05 0.00 0.00 178.16 179.04 1iwh h GLY 25 N 0.97 1.11 0.99 3.88 0.00 -0.46 0.01 103.07 109.57 1iwh h GLY 25 Ca 0.12 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1iwh h GLY 25 CO 0.04 0.55 0.34 0.00 0.00 0.00 0.00 176.54 177.46 1iwh h ALA 26 N 1.14 0.74 -0.60 3.60 0.00 -0.87 -0.83 119.26 122.43 1iwh h ALA 26 Ca 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1iwh h ALA 26 Cb 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1iwh h ALA 26 CO -0.02 0.23 0.23 1.49 0.00 0.00 0.00 179.25 181.17 1iwh h GLU 27 N 0.78 0.91 -0.68 0.00 4.81 -0.92 -0.84 114.58 118.65 1iwh h GLU 27 Ca 0.21 -0.17 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1iwh h GLU 27 Cb 0.00 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.18 1iwh h GLU 27 CO -0.04 0.78 0.36 0.00 -0.73 0.00 0.00 179.01 179.39 1iwh h ALA 28 N 1.08 0.92 -0.41 2.92 0.00 -0.76 0.20 119.26 123.20 1iwh h ALA 28 Ca 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1iwh h ALA 28 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1iwh h ALA 28 CO -0.01 0.02 0.22 -0.07 0.00 0.00 0.00 179.25 179.40 1iwh h LEU 29 N 0.66 0.52 -0.64 0.00 3.38 -0.76 0.45 115.31 118.93 1iwh h LEU 29 Ca 0.31 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1iwh h LEU 29 Cb 0.24 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1iwh h LEU 29 CO -0.21 0.48 0.26 -0.08 0.09 0.00 0.00 178.44 178.98 1iwh h GLU 30 N 0.53 0.95 -0.74 1.13 4.81 -0.46 -0.10 114.58 120.70 1iwh h GLU 30 Ca 0.14 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1iwh h GLU 30 Cb 0.07 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1iwh h GLU 30 CO -0.02 0.79 0.49 0.00 -0.73 0.00 0.00 179.01 179.54 1iwh h ARG 31 N 0.89 0.94 -0.09 1.92 3.08 -0.28 -1.81 114.38 119.03 1iwh h ARG 31 Ca 0.21 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1iwh h ARG 31 Cb 0.19 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1iwh h ARG 31 CO -0.02 0.62 -0.01 1.98 -1.07 0.00 0.00 179.97 181.48 1iwh h MET 32 N 0.97 0.17 -0.85 0.04 4.05 -0.01 -0.03 114.93 119.27 1iwh h MET 32 Ca 0.28 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.61 1iwh h MET 32 Cb -0.06 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.69 1iwh h MET 32 CO -0.07 0.44 0.41 0.74 0.23 0.00 0.00 176.91 178.66 1iwh h PHE 33 N -0.13 1.23 0.07 1.39 0.04 -0.69 0.26 116.94 119.11 1iwh h PHE 33 Ca 0.03 -0.06 -0.28 0.00 2.80 0.00 0.00 57.97 60.45 1iwh h PHE 33 Cb 0.37 -0.38 0.03 0.00 2.20 0.00 0.00 35.95 38.17 1iwh h PHE 33 CO 0.04 0.88 -1.15 -0.07 -0.60 0.00 0.00 178.31 177.41 1iwh h LEU 34 N 1.21 0.89 0.00 1.54 3.38 -1.36 -3.20 115.31 117.78 1iwh h LEU 34 Ca 0.29 -0.79 -0.17 0.00 0.09 0.00 0.00 57.88 57.30 1iwh h LEU 34 Cb 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1iwh h LEU 34 CO -0.04 1.58 -0.85 1.23 0.09 0.00 0.00 178.44 180.45 1iwh h GLY 35 N 0.31 0.00 -6.45 0.83 0.00 -0.78 -3.38 103.07 93.60 1iwh h GLY 35 Ca -0.16 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.57 1iwh h GLY 35 CO 0.22 0.00 -0.88 0.69 0.00 0.00 0.00 176.54 176.57 1iwh n PHE 36 N -3.27 0.40 0.32 5.60 3.72 0.90 -5.01 117.46 120.12 1iwh n PHE 36 Ca -0.00 -3.63 0.20 0.00 -0.05 0.00 0.00 57.45 53.97 1iwh n PHE 36 Cb 0.86 -0.09 1.11 0.00 -0.94 0.00 0.00 39.48 40.43 1iwh n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1iwh h PRO 37 N 5.21 0.00 -0.53 -1.08 0.11 -1.73 -0.34 132.00 133.63 1iwh h PRO 37 Ca 0.21 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.46 1iwh h PRO 37 Cb 0.85 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 1iwh h PRO 37 CO 0.49 0.00 0.37 1.79 -0.21 0.00 0.00 178.00 180.45 1iwh h THR 38 N 0.00 0.77 0.00 -1.15 1.35 -1.92 -1.61 112.91 110.35 1iwh h THR 38 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1iwh h THR 38 Cb 0.00 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 1iwh h THR 38 CO 0.00 0.01 0.00 0.35 -0.25 0.00 0.00 175.52 175.63 1iwh n THR 39 N -4.41 0.80 0.24 6.82 -2.24 -0.14 -2.98 114.28 112.38 1iwh n THR 39 Ca 0.09 0.16 0.11 0.00 -2.27 0.00 0.00 64.05 62.14 1iwh n THR 39 Cb 0.55 -1.04 0.58 0.00 -2.10 0.00 0.00 70.33 68.32 1iwh n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1iwh h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.49 -2.71 116.57 113.16 1iwh h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1iwh h LYS 40 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1iwh h LYS 40 CO 0.00 0.19 0.00 0.25 -0.57 0.00 0.00 179.45 179.32 1iwh n THR 41 N -3.53 0.72 0.69 -0.16 -2.24 -1.16 -1.24 114.28 107.36 1iwh n THR 41 Ca -0.01 0.18 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 1iwh n THR 41 Cb 0.34 -0.91 0.48 0.00 -2.10 0.00 0.00 70.33 68.14 1iwh n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1iwh n TYR 42 N -1.39 0.45 -2.88 4.78 4.01 -1.02 -4.11 117.16 116.99 1iwh n TYR 42 Ca 0.06 0.15 -0.23 0.00 -0.16 0.00 0.00 57.90 57.71 1iwh n TYR 42 Cb 0.16 -0.74 -0.02 0.00 -0.31 0.00 0.00 39.34 38.43 1iwh n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1iwh n PHE 43 N -1.88 2.77 0.25 -0.72 3.01 -0.37 -4.92 117.46 115.59 1iwh n PHE 43 Ca 0.05 -3.67 0.11 0.00 1.01 0.00 0.00 57.45 54.96 1iwh n PHE 43 Cb 0.32 -0.38 0.63 0.00 -0.01 0.00 0.00 39.48 40.04 1iwh n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1iwh h PRO 44 N 2.91 0.00 -0.54 -1.08 0.13 -1.72 -1.15 132.00 130.55 1iwh h PRO 44 Ca 0.13 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.12 1iwh h PRO 44 Cb 0.76 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.80 1iwh h PRO 44 CO 0.72 0.17 0.14 0.72 -0.23 0.00 0.00 178.00 179.51 1iwh n HIS 45 N -3.58 1.82 -3.98 1.56 8.25 -1.26 -4.96 115.22 113.07 1iwh n HIS 45 Ca -0.01 -1.17 -0.30 0.00 -0.26 0.00 0.00 57.72 55.97 1iwh n HIS 45 Cb 0.30 -0.55 -0.05 0.00 1.12 0.00 0.00 29.99 30.81 1iwh n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1iwh s PHE 46 N -2.99 3.37 -0.38 4.41 0.40 -0.44 -5.07 117.98 117.29 1iwh s PHE 46 Ca 0.50 0.15 -0.28 0.00 -0.60 0.00 0.00 56.93 56.70 1iwh s PHE 46 Cb 0.41 -1.68 0.02 0.00 0.51 0.00 0.00 43.02 42.28 1iwh s PHE 46 CO 0.10 0.55 1.07 0.34 0.70 0.00 0.00 175.22 177.98 1iwh s ASP 47 N -2.59 6.79 0.00 1.36 2.15 -1.26 -4.90 116.67 118.21 1iwh s ASP 47 Ca 0.33 0.77 0.23 0.00 0.43 0.00 0.00 52.55 54.31 1iwh s ASP 47 Cb -0.12 -2.53 0.46 0.00 -0.30 0.00 0.00 42.92 40.43 1iwh s ASP 47 CO 0.26 -0.99 1.42 0.18 -0.17 0.00 0.00 175.17 175.86 1iwh n LEU 48 N 7.15 3.22 -4.74 -1.34 4.77 -1.26 -4.35 117.00 120.44 1iwh n LEU 48 Ca 0.11 -1.37 -0.35 0.00 -0.03 0.00 0.00 56.01 54.38 1iwh n LEU 48 Cb 0.48 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.41 1iwh n LEU 48 CO 0.63 0.68 0.80 -0.94 -1.33 0.00 0.00 177.39 177.24 1iwh s SER 49 N -1.52 4.75 0.29 -1.43 1.04 -1.26 -4.90 113.70 110.66 1iwh s SER 49 Ca 0.37 2.30 -0.30 0.00 0.48 0.00 0.00 55.95 58.81 1iwh s SER 49 Cb 0.22 -2.59 -0.12 0.00 0.10 0.00 0.00 66.02 63.64 1iwh s SER 49 CO 0.31 -1.89 1.56 1.57 0.98 0.00 0.00 173.24 175.77 1iwh n HIS 50 N -2.23 2.77 -0.53 5.02 -0.00 -1.26 -1.31 115.22 117.68 1iwh n HIS 50 Ca 0.13 0.30 0.00 0.00 0.46 0.00 0.00 57.72 58.61 1iwh n HIS 50 Cb 0.50 -2.57 0.00 0.00 -0.12 0.00 0.00 29.99 27.80 1iwh n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1iwh n GLY 51 N 1.99 1.53 3.72 1.57 0.00 -1.26 -4.98 105.19 107.76 1iwh n GLY 51 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1iwh n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iwh n SER 52 N 0.00 3.10 -0.29 1.61 3.41 -0.43 -4.86 113.62 116.16 1iwh n SER 52 Ca 0.00 1.20 0.07 0.00 -0.26 0.00 0.00 58.87 59.87 1iwh n SER 52 Cb 0.00 -1.52 0.28 0.00 -0.26 0.00 0.00 64.21 62.72 1iwh n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iwh h ALA 53 N 3.13 1.61 -0.22 7.33 0.00 -1.90 -1.39 119.26 127.81 1iwh h ALA 53 Ca -0.47 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 1iwh h ALA 53 Cb 1.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1iwh h ALA 53 CO 0.67 0.21 -0.49 1.96 0.00 0.00 0.00 179.25 181.60 1iwh h GLN 54 N 0.92 0.61 -0.23 0.00 4.20 -1.89 -1.20 115.11 117.51 1iwh h GLN 54 Ca 0.42 -0.35 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 1iwh h GLN 54 Cb 0.38 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1iwh h GLN 54 CO -0.18 0.96 -0.59 0.28 -0.67 0.00 0.00 178.83 178.63 1iwh h VAL 55 N 0.48 1.29 -0.65 -0.54 2.07 -1.69 -0.50 116.25 116.71 1iwh h VAL 55 Ca 0.02 -1.81 0.01 0.00 0.82 0.00 0.00 66.70 65.75 1iwh h VAL 55 Cb 1.03 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 1iwh h VAL 55 CO 0.10 0.58 0.42 0.11 0.02 0.00 0.00 177.57 178.80 1iwh h LYS 56 N 0.56 0.83 -0.50 1.57 1.57 -1.10 0.19 116.57 119.70 1iwh h LYS 56 Ca 0.00 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1iwh h LYS 56 Cb 1.18 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1iwh h LYS 56 CO 0.12 0.55 -0.10 0.00 -0.57 0.00 0.00 179.45 179.45 1iwh h ALA 57 N 1.25 0.68 -0.64 3.86 0.00 -1.12 -1.93 119.26 121.36 1iwh h ALA 57 Ca 0.24 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1iwh h ALA 57 Cb -0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1iwh h ALA 57 CO -0.07 0.58 0.12 1.25 0.00 0.00 0.00 179.25 181.14 1iwh h HIS 58 N 0.80 1.08 -0.98 0.00 -0.00 -0.66 -2.04 115.15 113.35 1iwh h HIS 58 Ca 0.13 -0.13 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1iwh h HIS 58 Cb 0.66 -0.30 -0.06 0.00 -0.00 0.00 0.00 27.41 27.70 1iwh h HIS 58 CO 0.05 0.90 0.64 0.78 -0.00 0.00 0.00 177.93 180.30 1iwh h GLY 59 N 1.04 1.47 1.01 5.26 0.00 -0.40 -0.63 103.07 110.83 1iwh h GLY 59 Ca 0.20 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 47.07 1iwh h GLY 59 CO 0.01 0.34 0.58 1.70 0.00 0.00 0.00 176.54 179.17 1iwh h LYS 60 N 1.15 1.19 0.00 4.80 3.64 -0.68 0.87 116.57 127.55 1iwh h LYS 60 Ca 0.42 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1iwh h LYS 60 Cb 0.16 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1iwh h LYS 60 CO -0.16 0.80 -0.00 0.87 -2.27 0.00 0.00 179.45 178.69 1iwh h LYS 61 N 1.22 -0.00 -0.40 1.90 1.57 -0.72 0.13 116.57 120.27 1iwh h LYS 61 Ca 0.33 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1iwh h LYS 61 Cb -0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1iwh h LYS 61 CO -0.07 0.09 0.21 0.28 -0.57 0.00 0.00 179.45 179.39 1iwh h VAL 62 N -0.10 1.16 -0.77 0.50 2.07 -0.94 0.34 116.25 118.51 1iwh h VAL 62 Ca -0.00 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1iwh h VAL 62 Cb 0.09 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1iwh h VAL 62 CO 0.00 0.17 0.36 1.23 0.02 0.00 0.00 177.57 179.35 1iwh h GLY 63 N 0.51 1.20 1.16 2.17 0.00 -0.71 -0.75 103.07 106.65 1iwh h GLY 63 Ca 0.14 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 1iwh h GLY 63 CO -0.02 0.58 -0.01 -0.55 0.00 0.00 0.00 176.54 176.53 1iwh h ASP 64 N 1.09 0.98 -0.42 0.19 3.32 -0.40 -0.02 116.42 121.16 1iwh h ASP 64 Ca 0.26 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 1iwh h ASP 64 Cb 0.14 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1iwh h ASP 64 CO -0.03 1.04 0.06 0.00 -1.72 0.00 0.00 179.24 178.59 1iwh h ALA 65 N 1.06 1.18 -0.29 3.45 0.00 -0.45 0.78 119.26 124.99 1iwh h ALA 65 Ca 0.16 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1iwh h ALA 65 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1iwh h ALA 65 CO 0.03 0.54 -0.33 -0.07 0.00 0.00 0.00 179.25 179.42 1iwh h LEU 66 N 0.74 0.66 -0.45 0.00 3.38 -0.82 -0.86 115.31 117.96 1iwh h LEU 66 Ca 0.15 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1iwh h LEU 66 Cb 0.37 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1iwh h LEU 66 CO 0.01 0.94 0.05 0.74 0.09 0.00 0.00 178.44 180.27 1iwh h THR 67 N 0.53 1.25 -0.61 0.22 2.02 -0.55 -0.87 112.91 114.91 1iwh h THR 67 Ca 0.06 -0.94 0.02 0.00 0.77 0.00 0.00 66.41 66.32 1iwh h THR 67 Cb 0.83 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 1iwh h THR 67 CO 0.07 0.33 0.38 0.25 0.37 0.00 0.00 175.52 176.92 1iwh h LEU 68 N 0.61 0.64 -0.56 2.58 5.85 -0.64 -2.61 115.31 121.17 1iwh h LEU 68 Ca 0.13 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1iwh h LEU 68 Cb 0.41 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1iwh h LEU 68 CO 0.01 0.45 0.37 0.00 -0.34 0.00 0.00 178.44 178.93 1iwh h ALA 69 N 1.25 0.71 -0.59 1.25 0.00 -0.80 -1.25 119.26 119.83 1iwh h ALA 69 Ca 0.24 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.24 1iwh h ALA 69 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1iwh h ALA 69 CO -0.09 0.14 0.41 0.28 0.00 0.00 0.00 179.25 179.99 1iwh h VAL 70 N 0.76 0.82 -0.01 0.00 2.07 -0.85 0.14 116.25 119.17 1iwh h VAL 70 Ca 0.21 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1iwh h VAL 70 Cb -0.08 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1iwh h VAL 70 CO -0.05 0.05 -0.05 0.61 0.02 0.00 0.00 177.57 178.15 1iwh n GLY 71 N -1.56 -0.69 2.48 2.17 0.00 -0.51 -4.00 105.19 103.08 1iwh n GLY 71 Ca 0.10 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1iwh n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1iwh n HIS 72 N -0.65 1.99 0.31 1.61 8.25 0.46 -4.90 115.22 122.28 1iwh n HIS 72 Ca 0.18 -2.31 0.19 0.00 -0.26 0.00 0.00 57.72 55.53 1iwh n HIS 72 Cb 0.25 -0.27 0.91 0.00 1.12 0.00 0.00 29.99 32.00 1iwh n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1iwh h LEU 73 N 2.48 0.00 -0.45 2.41 3.38 -1.65 -0.46 115.31 121.01 1iwh h LEU 73 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1iwh h LEU 73 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1iwh h LEU 73 CO 0.48 0.00 -0.11 0.47 0.09 0.00 0.00 178.44 179.37 1iwh n ASP 74 N -2.99 0.82 -2.78 -0.43 8.00 -1.26 -4.32 116.55 113.59 1iwh n ASP 74 Ca -0.01 -0.92 -0.10 0.00 0.71 0.00 0.00 54.79 54.48 1iwh n ASP 74 Cb 0.18 0.01 0.07 0.00 -0.02 0.00 0.00 41.12 41.36 1iwh n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1iwh n ASP 75 N -0.61 -0.97 -0.36 -2.24 2.03 -0.23 -4.99 116.55 109.19 1iwh n ASP 75 Ca 0.16 -2.95 0.03 0.00 0.52 0.00 0.00 54.79 52.54 1iwh n ASP 75 Cb 0.30 0.73 0.18 0.00 -0.72 0.00 0.00 41.12 41.62 1iwh n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1iwh h LEU 76 N 2.63 1.02 -1.29 -2.67 3.38 -1.63 -0.98 115.31 115.78 1iwh h LEU 76 Ca -0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1iwh h LEU 76 Cb 1.17 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1iwh h LEU 76 CO 0.18 0.66 0.42 -0.65 0.09 0.00 0.00 178.44 179.15 1iwh h PRO 77 N 1.16 0.90 -0.04 1.13 0.11 -1.94 0.06 132.00 133.39 1iwh h PRO 77 Ca 0.42 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.41 1iwh h PRO 77 Cb 0.15 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1iwh h PRO 77 CO -0.16 0.62 -0.18 0.78 -0.21 0.00 0.00 178.00 178.85 1iwh h GLY 78 N 0.94 0.21 1.95 -0.55 0.00 -1.86 -0.95 103.07 102.81 1iwh h GLY 78 Ca 0.25 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1iwh h GLY 78 CO -0.05 0.26 -0.22 0.00 0.00 0.00 0.00 176.54 176.53 1iwh h ALA 79 N 0.39 1.56 -0.30 3.60 0.00 -0.99 -2.90 119.26 120.62 1iwh h ALA 79 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1iwh h ALA 79 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1iwh h ALA 79 CO 0.04 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.89 1iwh n LEU 80 N -4.25 3.76 -0.17 0.00 4.77 -0.01 -4.73 117.00 116.37 1iwh n LEU 80 Ca -0.02 -2.77 -0.04 0.00 -0.03 0.00 0.00 56.01 53.16 1iwh n LEU 80 Cb 0.30 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1iwh n LEU 80 CO 0.37 0.69 1.02 -1.28 -1.33 0.00 0.00 177.39 176.87 1iwh h SER 81 N 2.00 0.37 -0.60 -1.43 0.87 -0.95 -0.28 113.55 113.52 1iwh h SER 81 Ca 0.00 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 1iwh h SER 81 Cb 1.30 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.21 1iwh h SER 81 CO 0.18 0.25 0.09 0.78 -0.53 0.00 0.00 176.83 177.60 1iwh h ASN 82 N 0.50 0.96 0.20 6.23 2.35 -1.85 -0.92 115.58 123.05 1iwh h ASN 82 Ca 0.24 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1iwh h ASN 82 Cb 0.16 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1iwh h ASN 82 CO -0.17 0.98 -0.25 0.25 -1.65 0.00 0.00 177.43 176.59 1iwh h LEU 83 N 0.90 0.09 -0.28 1.61 5.85 -1.82 -2.06 115.31 119.59 1iwh h LEU 83 Ca 0.18 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1iwh h LEU 83 Cb 0.43 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1iwh h LEU 83 CO 0.01 0.35 0.07 -1.28 -0.34 0.00 0.00 178.44 177.25 1iwh h SER 84 N 0.09 0.42 -0.46 1.25 0.87 -0.24 -1.72 113.55 113.75 1iwh h SER 84 Ca 0.01 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.37 1iwh h SER 84 Cb 0.49 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 1iwh h SER 84 CO 0.03 0.53 0.28 0.44 -0.53 0.00 0.00 176.83 177.59 1iwh h ASP 85 N 0.29 0.47 0.29 6.23 3.32 -0.71 -1.78 116.42 124.53 1iwh h ASP 85 Ca 0.09 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1iwh h ASP 85 Cb 0.27 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1iwh h ASP 85 CO -0.00 0.33 -0.14 0.25 -1.72 0.00 0.00 179.24 177.96 1iwh h LEU 86 N 0.57 -0.33 -0.93 1.55 5.85 -1.27 0.24 115.31 120.98 1iwh h LEU 86 Ca 0.18 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 1iwh h LEU 86 Cb -0.01 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1iwh h LEU 86 CO -0.07 -0.22 -0.31 0.45 -0.34 0.00 0.00 178.44 177.94 1iwh h HIS 87 N -0.41 0.45 0.00 1.25 3.86 -1.21 0.27 115.15 119.37 1iwh h HIS 87 Ca -0.04 -0.11 -0.07 0.00 -1.16 0.00 0.00 60.37 59.00 1iwh h HIS 87 Cb 0.31 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1iwh h HIS 87 CO -0.05 0.67 -0.64 0.00 0.86 0.00 0.00 177.93 178.78 1iwh h ALA 88 N 1.32 0.08 -0.04 2.45 0.00 -1.32 -0.67 119.26 121.08 1iwh h ALA 88 Ca 0.04 -0.65 -0.24 0.00 0.00 0.00 0.00 54.91 54.06 1iwh h ALA 88 Cb 0.73 0.48 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1iwh h ALA 88 CO 0.06 0.47 -0.94 0.45 0.00 0.00 0.00 179.25 179.29 1iwh h HIS 89 N -1.00 0.95 0.00 0.00 3.86 -0.64 -2.60 115.15 115.72 1iwh h HIS 89 Ca -0.10 -0.48 -0.28 0.00 -1.16 0.00 0.00 60.37 58.34 1iwh h HIS 89 Cb 0.71 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 1iwh h HIS 89 CO -0.07 1.31 -1.60 1.17 0.86 0.00 0.00 177.93 179.60 1iwh n LYS 90 N -3.85 0.56 0.19 2.45 4.81 -0.89 -4.52 118.16 116.90 1iwh n LYS 90 Ca -0.09 0.46 0.12 0.00 -0.87 0.00 0.00 58.31 57.93 1iwh n LYS 90 Cb 0.83 -1.65 0.15 0.00 0.02 0.00 0.00 35.03 34.39 1iwh n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1iwh h LEU 91 N -1.00 0.00 -1.19 3.14 3.38 -0.55 -3.48 115.31 115.62 1iwh h LEU 91 Ca -0.42 -0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.09 1iwh h LEU 91 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1iwh h LEU 91 CO -0.25 0.00 -0.77 0.54 0.09 0.00 0.00 178.44 178.04 1iwh n ARG 92 N -2.96 -5.48 -2.27 1.13 3.00 -0.66 -4.88 116.66 104.54 1iwh n ARG 92 Ca 0.03 0.61 -0.42 0.00 -0.01 0.00 0.00 57.85 58.07 1iwh n ARG 92 Cb 0.53 -5.42 -0.03 0.00 0.00 0.00 0.00 32.46 27.53 1iwh n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1iwh s VAL 93 N -3.40 3.62 0.21 1.55 1.01 -0.35 -4.95 120.40 118.09 1iwh s VAL 93 Ca 0.49 1.15 -0.32 0.00 0.00 0.00 0.00 61.98 63.30 1iwh s VAL 93 Cb -0.24 -3.74 -0.12 0.00 0.00 0.00 0.00 36.38 32.28 1iwh s VAL 93 CO 0.82 0.08 1.68 -0.62 0.00 0.00 0.00 175.10 177.06 1iwh s ASP 94 N 1.17 6.42 0.50 3.32 -1.08 -1.26 -4.88 116.67 120.86 1iwh s ASP 94 Ca 0.62 2.83 0.24 0.00 -0.52 0.00 0.00 52.55 55.72 1iwh s ASP 94 Cb -0.33 -2.60 1.31 0.00 -1.46 0.00 0.00 42.92 39.84 1iwh s ASP 94 CO 0.29 -0.94 1.95 -0.65 0.52 0.00 0.00 175.17 176.34 1iwh h PRO 95 N 6.62 0.12 -0.77 4.34 0.11 -1.99 -0.31 132.00 140.14 1iwh h PRO 95 Ca -0.43 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.74 1iwh h PRO 95 Cb 1.20 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1iwh h PRO 95 CO 0.93 0.08 0.50 0.28 -0.21 0.00 0.00 178.00 179.59 1iwh h VAL 96 N 0.12 1.02 0.00 3.15 2.07 -2.02 -2.23 116.25 118.37 1iwh h VAL 96 Ca 0.33 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1iwh h VAL 96 Cb 1.12 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1iwh h VAL 96 CO -0.04 0.15 -0.04 0.78 0.02 0.00 0.00 177.57 178.43 1iwh h ASN 97 N 0.80 0.00 0.06 0.57 -0.26 -1.42 -0.70 115.58 114.64 1iwh h ASN 97 Ca 0.33 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.93 1iwh h ASN 97 Cb 0.27 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.52 1iwh h ASN 97 CO -0.12 0.04 -0.49 -0.26 -1.06 0.00 0.00 177.43 175.55 1iwh h PHE 98 N 0.00 0.60 -0.77 1.19 -1.00 -1.52 -0.21 116.94 115.23 1iwh h PHE 98 Ca -0.00 -0.20 -0.03 0.00 2.81 0.00 0.00 57.97 60.55 1iwh h PHE 98 Cb 0.30 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.70 1iwh h PHE 98 CO 0.00 0.89 0.35 0.87 -1.61 0.00 0.00 178.31 178.80 1iwh h LYS 99 N 0.39 1.12 -0.16 1.51 1.57 -1.21 0.61 116.57 120.40 1iwh h LYS 99 Ca 0.02 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1iwh h LYS 99 Cb 1.00 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1iwh h LYS 99 CO 0.09 0.89 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.78 1iwh h LEU 100 N 1.09 0.28 -0.73 2.94 3.38 -1.01 -1.41 115.31 119.86 1iwh h LEU 100 Ca 0.26 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1iwh h LEU 100 Cb 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1iwh h LEU 100 CO -0.03 0.53 -0.04 0.25 0.09 0.00 0.00 178.44 179.24 1iwh h LEU 101 N 0.02 0.92 -0.88 1.67 5.85 -0.97 -1.61 115.31 120.31 1iwh h LEU 101 Ca 0.04 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1iwh h LEU 101 Cb 0.39 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1iwh h LEU 101 CO 0.01 1.00 0.51 0.28 -0.34 0.00 0.00 178.44 179.90 1iwh h SER 102 N 0.86 1.07 -0.49 1.25 0.02 -0.74 0.23 113.55 115.75 1iwh h SER 102 Ca 0.15 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1iwh h SER 102 Cb 0.55 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1iwh h SER 102 CO 0.03 0.83 0.05 -0.74 -1.14 0.00 0.00 176.83 175.86 1iwh h HIS 103 N 1.21 0.94 -0.04 3.45 -0.00 -0.96 -0.97 115.15 118.79 1iwh h HIS 103 Ca 0.31 -0.12 -0.10 0.00 -0.00 0.00 0.00 60.37 60.45 1iwh h HIS 103 Cb -0.03 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.11 1iwh h HIS 103 CO 0.00 0.83 -0.46 0.00 -0.00 0.00 0.00 177.93 178.30 1iwh h LEU 105 N 0.07 0.31 -0.95 0.00 4.07 0.05 -1.60 115.31 117.25 1iwh h LEU 105 Ca 0.00 -0.26 0.02 0.00 0.08 0.00 0.00 57.88 57.72 1iwh h LEU 105 Cb 0.84 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.45 1iwh h LEU 105 CO 0.06 0.49 0.63 -0.07 -1.08 0.00 0.00 178.44 178.47 1iwh h LEU 106 N 0.11 1.07 -0.34 1.67 3.38 -1.04 -1.26 115.31 118.89 1iwh h LEU 106 Ca 0.06 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1iwh h LEU 106 Cb 0.32 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1iwh h LEU 106 CO 0.00 0.76 0.17 0.28 0.09 0.00 0.00 178.44 179.75 1iwh h SER 107 N 1.26 0.25 -0.80 -0.43 0.02 -0.95 -0.49 113.55 112.41 1iwh h SER 107 Ca 0.36 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.30 1iwh h SER 107 Cb -0.10 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1iwh h SER 107 CO -0.09 0.19 0.39 0.74 -1.14 0.00 0.00 176.83 176.92 1iwh h THR 108 N 0.35 1.25 -0.41 -2.27 2.02 -0.97 -0.50 112.91 112.37 1iwh h THR 108 Ca 0.14 -0.68 -0.12 0.00 0.77 0.00 0.00 66.41 66.52 1iwh h THR 108 Cb 0.06 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1iwh h THR 108 CO -0.10 0.29 -0.23 -0.07 0.37 0.00 0.00 175.52 175.78 1iwh h LEU 109 N 1.12 0.85 -0.86 2.58 3.38 -0.75 -2.29 115.31 119.34 1iwh h LEU 109 Ca 0.27 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1iwh h LEU 109 Cb 0.10 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1iwh h LEU 109 CO -0.04 1.05 0.34 0.00 0.09 0.00 0.00 178.44 179.88 1iwh h ALA 110 N 1.01 1.10 -0.05 1.53 0.00 -0.77 0.15 119.26 122.22 1iwh h ALA 110 Ca 0.10 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1iwh h ALA 110 Cb 0.77 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1iwh h ALA 110 CO 0.06 0.65 -0.05 0.28 0.00 0.00 0.00 179.25 180.20 1iwh h VAL 111 N 1.15 0.85 0.00 0.00 2.07 -0.67 -3.20 116.25 116.45 1iwh h VAL 111 Ca 0.27 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.64 1iwh h VAL 111 Cb 0.18 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1iwh h VAL 111 CO -0.03 0.00 -1.33 0.45 0.02 0.00 0.00 177.57 176.68 1iwh h HIS 112 N -0.06 0.00 -1.93 1.57 3.86 -1.29 -3.39 115.15 113.91 1iwh h HIS 112 Ca 0.04 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.72 1iwh h HIS 112 Cb 0.12 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 28.18 1iwh h HIS 112 CO -0.15 0.53 -0.88 1.28 0.86 0.00 0.00 177.93 179.57 1iwh n LEU 113 N -2.89 3.12 0.25 2.43 4.77 0.50 -4.92 117.00 120.26 1iwh n LEU 113 Ca -0.08 -5.19 0.08 0.00 -0.03 0.00 0.00 56.01 50.79 1iwh n LEU 113 Cb 0.81 -0.06 0.63 0.00 -2.33 0.00 0.00 43.42 42.47 1iwh n LEU 113 CO 0.43 2.23 0.99 1.55 -1.33 0.00 0.00 177.39 181.25 1iwh h PRO 114 N 2.92 0.00 0.00 3.23 0.13 -1.74 -0.22 132.00 136.32 1iwh h PRO 114 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1iwh h PRO 114 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1iwh h PRO 114 CO 0.70 0.10 -0.46 -0.91 -0.23 0.00 0.00 178.00 177.20 1iwh h ASN 115 N 0.00 0.00 0.39 1.44 2.35 -1.91 -3.26 115.58 114.59 1iwh h ASN 115 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1iwh h ASN 115 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1iwh h ASN 115 CO 0.01 0.00 -1.45 0.47 -1.65 0.00 0.00 177.43 174.82 1iwh n ASP 116 N -2.91 0.43 -3.65 5.81 8.00 -0.77 -4.59 116.55 118.88 1iwh n ASP 116 Ca 0.02 0.01 -0.41 0.00 0.71 0.00 0.00 54.79 55.12 1iwh n ASP 116 Cb 0.54 1.23 -0.01 0.00 -0.02 0.00 0.00 41.12 42.87 1iwh n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1iwh n PHE 117 N -2.29 3.03 -1.76 1.24 7.35 -0.17 -4.82 117.46 120.05 1iwh n PHE 117 Ca -0.01 -2.93 -0.29 0.00 -0.76 0.00 0.00 57.45 53.46 1iwh n PHE 117 Cb 0.52 -2.29 0.10 0.00 0.35 0.00 0.00 39.48 38.17 1iwh n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1iwh s THR 118 N 1.68 2.12 0.19 -2.13 -4.23 -1.26 -4.75 115.64 107.26 1iwh s THR 118 Ca 0.50 0.04 -0.12 0.00 -1.18 0.00 0.00 61.69 60.93 1iwh s THR 118 Cb 0.14 -2.94 0.10 0.00 1.34 0.00 0.00 72.50 71.14 1iwh s THR 118 CO -0.06 -0.05 1.84 -0.65 -0.54 0.00 0.00 174.62 175.16 1iwh h PRO 119 N -1.19 0.75 -0.67 3.99 0.11 -1.99 0.19 132.00 133.19 1iwh h PRO 119 Ca -0.48 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1iwh h PRO 119 Cb 1.32 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1iwh h PRO 119 CO 0.64 0.49 0.13 0.00 -0.21 0.00 0.00 178.00 179.06 1iwh h ALA 120 N 1.24 0.97 -0.52 -0.75 0.00 -1.98 -0.86 119.26 117.36 1iwh h ALA 120 Ca 0.23 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1iwh h ALA 120 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1iwh h ALA 120 CO -0.07 0.65 -0.14 0.28 0.00 0.00 0.00 179.25 179.97 1iwh h VAL 121 N 1.02 1.27 -0.61 0.00 2.07 -1.81 -1.41 116.25 116.78 1iwh h VAL 121 Ca 0.21 -1.29 0.05 0.00 0.82 0.00 0.00 66.70 66.48 1iwh h VAL 121 Cb 0.40 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1iwh h VAL 121 CO 0.01 0.45 0.34 -0.74 0.02 0.00 0.00 177.57 177.65 1iwh h HIS 122 N 0.88 0.62 -0.63 1.57 6.17 -0.44 0.11 115.15 123.42 1iwh h HIS 122 Ca 0.13 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.24 1iwh h HIS 122 Cb 0.70 -0.19 -0.03 0.00 2.52 0.00 0.00 27.41 30.41 1iwh h HIS 122 CO 0.05 0.31 0.42 0.00 0.71 0.00 0.00 177.93 179.42 1iwh h ALA 123 N 1.31 0.80 -0.38 5.26 0.00 -0.76 0.06 119.26 125.55 1iwh h ALA 123 Ca 0.26 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1iwh h ALA 123 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1iwh h ALA 123 CO -0.16 0.24 -0.38 0.77 0.00 0.00 0.00 179.25 179.72 1iwh h SER 124 N 0.86 0.99 -0.53 0.00 0.02 -0.74 -1.60 113.55 112.56 1iwh h SER 124 Ca 0.23 -0.45 -0.06 0.00 -0.84 0.00 0.00 61.79 60.67 1iwh h SER 124 Cb -0.10 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.14 1iwh h SER 124 CO -0.05 1.25 0.13 -0.07 -1.14 0.00 0.00 176.83 176.95 1iwh h LEU 125 N 0.76 0.85 -0.35 5.07 3.38 -0.63 0.14 115.31 124.53 1iwh h LEU 125 Ca 0.06 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1iwh h LEU 125 Cb 0.98 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1iwh h LEU 125 CO 0.09 0.83 0.13 -0.78 0.09 0.00 0.00 178.44 178.81 1iwh h ASP 126 N 0.86 0.15 -0.67 -0.43 3.58 -0.77 -0.18 116.42 118.96 1iwh h ASP 126 Ca 0.19 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.60 1iwh h ASP 126 Cb 0.33 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 1iwh h ASP 126 CO 0.00 0.12 0.15 0.11 -2.88 0.00 0.00 179.24 176.74 1iwh h LYS 127 N 0.28 1.10 0.03 0.28 1.57 -0.54 -0.65 116.57 118.64 1iwh h LYS 127 Ca 0.16 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1iwh h LYS 127 Cb 0.12 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 1iwh h LYS 127 CO -0.15 0.98 -0.31 0.35 -0.57 0.00 0.00 179.45 179.75 1iwh h PHE 128 N 1.04 -0.84 -0.12 -1.35 3.57 -0.79 0.15 116.94 118.60 1iwh h PHE 128 Ca 0.21 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1iwh h PHE 128 Cb 0.39 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1iwh h PHE 128 CO 0.03 -0.40 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.35 1iwh h LEU 129 N -0.47 0.21 -0.73 0.59 3.38 -0.75 0.80 115.31 118.34 1iwh h LEU 129 Ca 0.05 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1iwh h LEU 129 Cb 0.55 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1iwh h LEU 129 CO -0.24 0.50 0.12 0.28 0.09 0.00 0.00 178.44 179.19 1iwh h SER 130 N 0.19 1.04 -0.40 -0.43 0.02 -0.69 0.34 113.55 113.62 1iwh h SER 130 Ca 0.03 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 1iwh h SER 130 Cb 0.60 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1iwh h SER 130 CO 0.04 1.02 0.12 0.28 -1.14 0.00 0.00 176.83 177.16 1iwh h SER 131 N 1.03 0.59 -0.95 3.07 0.02 0.26 0.74 113.55 118.32 1iwh h SER 131 Ca 0.21 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1iwh h SER 131 Cb 0.42 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 1iwh h SER 131 CO 0.01 0.64 0.58 0.58 -1.14 0.00 0.00 176.83 177.49 1iwh h VAL 132 N 0.51 1.26 -0.43 2.27 2.07 -0.73 -1.99 116.25 119.20 1iwh h VAL 132 Ca 0.13 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 66.99 1iwh h VAL 132 Cb 0.26 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 1iwh h VAL 132 CO -0.00 0.27 -0.16 0.28 0.02 0.00 0.00 177.57 177.98 1iwh h SER 133 N 1.30 0.81 -0.27 0.57 0.02 -0.29 -0.96 113.55 114.73 1iwh h SER 133 Ca 0.34 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1iwh h SER 133 Cb -0.07 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 1iwh h SER 133 CO -0.06 0.97 0.14 0.74 -1.14 0.00 0.00 176.83 177.47 1iwh h THR 134 N 0.72 1.13 -0.67 -2.27 2.02 -0.55 -1.26 112.91 112.03 1iwh h THR 134 Ca 0.11 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1iwh h THR 134 Cb 0.66 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1iwh h THR 134 CO 0.05 0.13 0.29 0.58 0.37 0.00 0.00 175.52 176.94 1iwh h VAL 135 N 0.32 1.23 0.00 3.16 2.07 -1.09 -2.22 116.25 119.72 1iwh h VAL 135 Ca 0.09 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1iwh h VAL 135 Cb 0.09 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1iwh h VAL 135 CO -0.01 0.28 0.00 0.18 0.02 0.00 0.00 177.57 178.04 1iwh n LEU 136 N -4.43 0.17 -0.88 2.57 4.77 -0.39 -1.61 117.00 117.20 1iwh n LEU 136 Ca 0.05 0.54 0.07 0.00 -0.03 0.00 0.00 56.01 56.64 1iwh n LEU 136 Cb 0.15 -0.51 0.22 0.00 -2.33 0.00 0.00 43.42 40.95 1iwh n LEU 136 CO 0.39 -0.29 0.69 0.35 -1.33 0.00 0.00 177.39 177.20 1iwh n THR 137 N -1.68 1.53 0.81 -5.08 -2.24 -0.52 -4.19 114.28 102.91 1iwh n THR 137 Ca 0.04 -1.31 0.13 0.00 -2.27 0.00 0.00 64.05 60.64 1iwh n THR 137 Cb 0.21 0.21 0.41 0.00 -2.10 0.00 0.00 70.33 69.05 1iwh n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1iwh n SER 138 N 0.31 0.46 -0.71 3.42 3.41 -0.63 -3.67 113.62 116.21 1iwh n SER 138 Ca 0.17 0.32 0.08 0.00 -0.26 0.00 0.00 58.87 59.18 1iwh n SER 138 Cb 0.65 -0.33 0.23 0.00 -0.26 0.00 0.00 64.21 64.49 1iwh n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1iwh n LYS 139 N -1.84 1.90 -2.12 4.33 4.01 -1.26 -4.89 118.16 118.29 1iwh n LYS 139 Ca 0.06 -1.39 -0.43 0.00 -0.51 0.00 0.00 58.31 56.04 1iwh n LYS 139 Cb 0.38 -1.34 -0.03 0.00 -0.51 0.00 0.00 35.03 33.54 1iwh n LYS 139 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1iwh s TYR 140 N -1.55 2.16 0.00 2.13 4.12 -1.24 -4.72 117.35 118.25 1iwh s TYR 140 Ca 0.29 0.49 0.00 0.00 0.02 0.00 0.00 57.07 57.87 1iwh s TYR 140 Cb 0.15 -3.90 0.00 0.00 -1.52 0.00 0.00 41.96 36.70 1iwh s TYR 140 CO 0.21 -3.07 0.00 2.89 0.02 0.00 0.00 175.55 175.60