#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qi8 s HIS 2 N 0.00 3.25 -0.02 3.17 5.65 -1.26 -4.55 115.29 121.53 1qi8 s HIS 2 Ca 0.00 0.54 0.04 0.00 0.25 0.00 0.00 55.06 55.89 1qi8 s HIS 2 Cb 0.00 -2.74 -0.01 0.00 -1.18 0.00 0.00 32.58 28.66 1qi8 s HIS 2 CO 0.00 -0.32 -0.15 -0.51 -0.65 0.00 0.00 174.74 173.12 1qi8 s LEU 3 N 2.30 1.97 1.02 8.88 1.43 -1.26 -5.12 118.68 127.89 1qi8 s LEU 3 Ca 0.20 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 1qi8 s LEU 3 Cb -0.16 -0.79 0.20 0.00 0.03 0.00 0.00 46.19 45.47 1qi8 s LEU 3 CO 0.10 0.16 1.08 0.42 0.23 0.00 0.00 176.35 178.34 1qi8 s THR 4 N -0.19 2.21 0.23 5.49 -4.23 -1.26 -4.71 115.64 113.18 1qi8 s THR 4 Ca 0.02 0.07 -0.07 0.00 -1.18 0.00 0.00 61.69 60.53 1qi8 s THR 4 Cb -0.08 -2.24 0.19 0.00 1.34 0.00 0.00 72.50 71.72 1qi8 s THR 4 CO 0.00 -0.09 1.86 -0.65 -0.54 0.00 0.00 174.62 175.21 1qi8 h PRO 5 N -2.11 0.97 -0.34 3.99 0.11 -2.00 -0.64 132.00 131.98 1qi8 h PRO 5 Ca -0.53 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1qi8 h PRO 5 Cb 1.30 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1qi8 h PRO 5 CO 0.49 0.64 0.22 0.93 -0.21 0.00 0.00 178.00 180.08 1qi8 h GLU 6 N 1.00 0.45 -0.33 1.05 3.07 -1.99 -0.85 114.58 116.98 1qi8 h GLU 6 Ca 0.34 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.13 1qi8 h GLU 6 Cb 0.05 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1qi8 h GLU 6 CO -0.13 0.30 0.06 0.93 -1.40 0.00 0.00 179.01 178.76 1qi8 h GLU 7 N 0.46 0.54 -0.49 2.33 5.08 -1.72 -1.97 114.58 118.81 1qi8 h GLU 7 Ca 0.12 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1qi8 h GLU 7 Cb -0.05 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1qi8 h GLU 7 CO -0.03 0.63 0.19 -0.22 -1.00 0.00 0.00 179.01 178.58 1qi8 h LYS 8 N 0.38 0.73 -0.82 2.33 3.64 -1.07 -2.04 116.57 119.72 1qi8 h LYS 8 Ca 0.10 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1qi8 h LYS 8 Cb 0.34 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1qi8 h LYS 8 CO 0.01 0.66 0.47 1.03 -2.27 0.00 0.00 179.45 179.35 1qi8 h SER 9 N 0.65 1.00 -0.68 4.20 0.87 -1.05 -2.18 113.55 116.35 1qi8 h SER 9 Ca 0.16 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1qi8 h SER 9 Cb 0.20 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1qi8 h SER 9 CO -0.01 0.78 0.45 0.00 -0.53 0.00 0.00 176.83 177.52 1qi8 h ALA 10 N 1.25 0.87 0.48 6.23 0.00 -1.09 -2.15 119.26 124.85 1qi8 h ALA 10 Ca 0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1qi8 h ALA 10 Cb -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1qi8 h ALA 10 CO -0.05 0.29 -0.23 0.28 0.00 0.00 0.00 179.25 179.54 1qi8 h VAL 11 N 0.92 0.49 -0.69 0.00 2.07 -1.11 -2.82 116.25 115.10 1qi8 h VAL 11 Ca 0.25 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1qi8 h VAL 11 Cb -0.10 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1qi8 h VAL 11 CO -0.06 0.05 0.40 0.74 0.02 0.00 0.00 177.57 178.72 1qi8 h THR 12 N -0.82 1.21 -0.46 2.57 2.02 -1.40 -1.86 112.91 114.16 1qi8 h THR 12 Ca -0.07 -0.50 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 1qi8 h THR 12 Cb 0.57 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1qi8 h THR 12 CO 0.11 0.22 0.11 0.00 0.37 0.00 0.00 175.52 176.33 1qi8 h ALA 13 N 1.20 0.61 -0.38 6.16 0.00 -1.43 -2.34 119.26 123.09 1qi8 h ALA 13 Ca 0.25 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1qi8 h ALA 13 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1qi8 h ALA 13 CO -0.04 0.30 -0.24 1.25 0.00 0.00 0.00 179.25 180.52 1qi8 h LEU 14 N 0.62 0.86 -2.06 0.00 5.85 -1.40 -3.02 115.31 116.16 1qi8 h LEU 14 Ca 0.14 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1qi8 h LEU 14 Cb 0.33 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1qi8 h LEU 14 CO 0.00 1.11 -0.08 -0.25 -0.34 0.00 0.00 178.44 178.88 1qi8 h TRP 15 N 0.63 0.00 0.00 1.25 2.91 -1.18 -2.07 115.95 117.48 1qi8 h TRP 15 Ca 0.08 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.09 1qi8 h TRP 15 Cb 0.81 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.46 1qi8 h TRP 15 CO 0.06 0.08 -0.04 0.78 -1.03 0.00 0.00 178.44 178.29 1qi8 h GLY 16 N 0.78 0.00 -0.75 2.65 0.00 -1.28 -2.25 103.07 102.22 1qi8 h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qi8 h GLY 16 CO 0.01 0.00 -0.32 0.28 0.00 0.00 0.00 176.54 176.51 1qi8 n LYS 17 N -3.62 1.29 -2.71 4.80 5.02 -0.78 -4.95 118.16 117.21 1qi8 n LYS 17 Ca -0.02 -0.99 -0.42 0.00 -2.02 0.00 0.00 58.31 54.86 1qi8 n LYS 17 Cb 0.15 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1qi8 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qi8 s VAL 18 N -2.39 4.67 -0.64 -0.18 1.01 -0.85 -4.99 120.40 117.04 1qi8 s VAL 18 Ca 0.23 2.06 -0.24 0.00 0.00 0.00 0.00 61.98 64.03 1qi8 s VAL 18 Cb 0.19 -4.32 0.06 0.00 0.00 0.00 0.00 36.38 32.31 1qi8 s VAL 18 CO 0.50 0.24 1.00 0.21 0.00 0.00 0.00 175.10 177.05 1qi8 s ASN 19 N 0.50 6.22 0.27 3.32 3.84 -1.26 -4.92 114.94 122.91 1qi8 s ASN 19 Ca 0.50 -0.72 -0.01 0.00 0.21 0.00 0.00 52.86 52.84 1qi8 s ASN 19 Cb -0.22 -2.44 0.51 0.00 -0.55 0.00 0.00 41.25 38.55 1qi8 s ASN 19 CO 0.29 -1.43 1.80 0.58 -2.79 0.00 0.00 177.10 175.55 1qi8 h VAL 20 N 6.00 0.85 -0.49 -5.21 2.07 -1.95 -1.79 116.25 115.74 1qi8 h VAL 20 Ca -0.28 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.85 1qi8 h VAL 20 Cb 1.07 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1qi8 h VAL 20 CO 1.17 0.15 -0.12 0.44 0.02 0.00 0.00 177.57 179.23 1qi8 h ASP 21 N 0.82 0.94 -0.18 0.57 3.32 -1.91 0.94 116.42 120.92 1qi8 h ASP 21 Ca 0.46 -0.36 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1qi8 h ASP 21 Cb 0.52 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1qi8 h ASP 21 CO -0.29 1.08 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.80 1qi8 h GLU 22 N 0.79 0.44 -0.47 3.56 5.08 -1.85 -2.04 114.58 120.09 1qi8 h GLU 22 Ca 0.12 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 1qi8 h GLU 22 Cb 0.67 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1qi8 h GLU 22 CO 0.05 0.80 -0.23 0.28 -1.00 0.00 0.00 179.01 178.90 1qi8 h VAL 23 N 0.10 1.27 -0.27 3.13 2.07 -1.34 -1.49 116.25 119.72 1qi8 h VAL 23 Ca 0.03 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1qi8 h VAL 23 Cb 0.71 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1qi8 h VAL 23 CO 0.04 0.48 0.17 1.23 0.02 0.00 0.00 177.57 179.52 1qi8 h GLY 24 N 0.87 0.39 1.59 2.17 0.00 -0.80 -0.45 103.07 106.83 1qi8 h GLY 24 Ca 0.11 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 1qi8 h GLY 24 CO 0.07 0.15 -0.27 -1.33 0.00 0.00 0.00 176.54 175.15 1qi8 h GLY 25 N 0.35 0.52 1.08 4.60 0.00 -1.17 -1.65 103.07 106.80 1qi8 h GLY 25 Ca 0.10 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 1qi8 h GLY 25 CO -0.02 0.40 -0.47 -2.09 0.00 0.00 0.00 176.54 174.35 1qi8 h GLU 26 N 0.42 0.81 -0.33 4.80 4.57 -1.00 -2.02 114.58 121.82 1qi8 h GLU 26 Ca 0.06 -0.50 -0.16 0.00 -1.18 0.00 0.00 59.36 57.58 1qi8 h GLU 26 Cb 0.70 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1qi8 h GLU 26 CO 0.05 1.13 -0.43 0.00 -1.18 0.00 0.00 179.01 178.59 1qi8 h ALA 27 N 0.67 0.50 -0.19 2.92 0.00 -1.00 -1.34 119.26 120.82 1qi8 h ALA 27 Ca 0.02 -0.47 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 1qi8 h ALA 27 Cb 1.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1qi8 h ALA 27 CO 0.11 0.63 -0.59 -0.92 0.00 0.00 0.00 179.25 178.48 1qi8 h TYR 28 N 0.67 0.80 0.12 0.00 3.20 -1.36 -1.59 116.97 118.80 1qi8 h TYR 28 Ca 0.04 -0.30 0.01 0.00 3.14 0.00 0.00 58.73 61.62 1qi8 h TYR 28 Cb 1.03 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 1qi8 h TYR 28 CO 0.07 1.06 -0.15 0.78 -1.64 0.00 0.00 178.16 178.28 1qi8 h GLY 29 N 0.97 -0.29 1.70 1.82 0.00 -1.28 -2.76 103.07 103.23 1qi8 h GLY 29 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1qi8 h GLY 29 CO 0.11 -0.15 0.12 3.21 0.00 0.00 0.00 176.54 179.84 1qi8 h ARG 30 N -0.32 0.40 -0.87 4.80 3.08 -1.12 -1.88 114.38 118.47 1qi8 h ARG 30 Ca 0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1qi8 h ARG 30 Cb 0.32 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1qi8 h ARG 30 CO -0.06 0.32 0.56 1.25 -1.07 0.00 0.00 179.97 180.97 1qi8 h LEU 31 N 0.40 1.01 -0.44 3.04 5.85 -1.04 0.82 115.31 124.95 1qi8 h LEU 31 Ca 0.10 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1qi8 h LEU 31 Cb 0.07 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1qi8 h LEU 31 CO -0.01 0.74 -0.50 -0.07 -0.34 0.00 0.00 178.44 178.26 1qi8 h LEU 32 N 1.18 0.00 0.04 2.25 -0.00 -1.19 -1.69 115.31 115.90 1qi8 h LEU 32 Ca 0.32 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 58.14 1qi8 h LEU 32 Cb -0.11 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.55 1qi8 h LEU 32 CO -0.07 0.50 -0.25 0.58 -0.00 0.00 0.00 178.44 179.21 1qi8 h VAL 33 N 0.00 1.70 -0.15 1.22 2.07 -0.96 -3.31 116.25 116.82 1qi8 h VAL 33 Ca -0.01 -2.40 -0.21 0.00 0.82 0.00 0.00 66.70 64.90 1qi8 h VAL 33 Cb 1.20 3.32 0.01 0.00 -1.52 0.00 0.00 31.29 34.30 1qi8 h VAL 33 CO 0.07 0.63 -0.76 0.58 0.02 0.00 0.00 177.57 178.11 1qi8 h VAL 34 N -0.83 1.30 -2.80 2.57 2.07 -0.89 -3.37 116.25 114.31 1qi8 h VAL 34 Ca -0.05 -1.99 -0.61 0.00 0.82 0.00 0.00 66.70 64.88 1qi8 h VAL 34 Cb 1.18 1.98 -0.41 0.00 -1.52 0.00 0.00 31.29 32.52 1qi8 h VAL 34 CO 0.04 0.63 -0.68 -1.22 0.02 0.00 0.00 177.57 176.36 1qi8 n TYR 35 N -3.92 2.32 0.22 1.57 4.01 -0.64 -4.98 117.16 115.74 1qi8 n TYR 35 Ca -0.07 -4.06 0.03 0.00 -0.16 0.00 0.00 57.90 53.64 1qi8 n TYR 35 Cb 0.73 -0.43 0.14 0.00 -0.31 0.00 0.00 39.34 39.48 1qi8 n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1qi8 n PRO 36 N 1.99 0.00 0.23 -0.72 -0.04 -1.25 -1.61 135.00 133.61 1qi8 n PRO 36 Ca 0.23 0.39 0.15 0.00 -0.04 0.00 0.00 63.50 64.23 1qi8 n PRO 36 Cb 0.39 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.85 1qi8 n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1qi8 h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.92 -1.64 115.95 113.02 1qi8 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1qi8 h TRP 37 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.35 1qi8 h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1qi8 h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.63 -2.61 112.91 110.14 1qi8 h THR 38 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1qi8 h THR 38 Cb 0.66 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1qi8 h THR 38 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1qi8 n GLN 39 N -2.36 0.15 0.28 4.72 6.02 -0.62 -3.36 117.38 122.22 1qi8 n GLN 39 Ca 0.01 0.19 0.14 0.00 -0.01 0.00 0.00 57.00 57.32 1qi8 n GLN 39 Cb 0.17 -1.50 0.83 0.00 1.02 0.00 0.00 30.24 30.76 1qi8 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1qi8 h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.69 -2.11 114.38 109.59 1qi8 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1qi8 h ARG 40 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 1qi8 h ARG 40 CO 0.00 0.06 -0.21 1.19 0.10 0.00 0.00 179.97 181.11 1qi8 n PHE 41 N -3.76 0.00 -2.15 4.08 3.72 -1.21 -4.42 117.46 113.71 1qi8 n PHE 41 Ca -0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.28 1qi8 n PHE 41 Cb 0.15 -0.24 0.07 0.00 -0.94 0.00 0.00 39.48 38.52 1qi8 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1qi8 n PHE 42 N -1.12 1.54 0.29 1.38 3.72 -0.79 -4.82 117.46 117.66 1qi8 n PHE 42 Ca 0.11 -1.87 0.16 0.00 -0.05 0.00 0.00 57.45 55.80 1qi8 n PHE 42 Cb 0.31 -0.28 0.86 0.00 -0.94 0.00 0.00 39.48 39.44 1qi8 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1qi8 h GLU 43 N 1.89 0.00 -0.35 -1.08 4.39 -1.77 -1.96 114.58 115.70 1qi8 h GLU 43 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1qi8 h GLU 43 Cb 1.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1qi8 h GLU 43 CO 0.40 0.06 0.00 -1.13 -1.16 0.00 0.00 179.01 177.18 1qi8 n SER 44 N -3.43 2.04 -0.07 1.42 3.41 -1.26 -4.30 113.62 111.42 1qi8 n SER 44 Ca -0.02 -1.94 0.14 0.00 -0.26 0.00 0.00 58.87 56.79 1qi8 n SER 44 Cb 0.19 -0.23 0.52 0.00 -0.26 0.00 0.00 64.21 64.44 1qi8 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qi8 n PHE 45 N 0.60 0.00 0.00 7.33 3.01 -0.74 -5.05 117.46 122.61 1qi8 n PHE 45 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1qi8 n PHE 45 Cb 0.34 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1qi8 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qi8 n GLY 46 N 1.38 -0.07 3.65 1.37 0.00 -1.26 -4.72 105.19 105.53 1qi8 n GLY 46 Ca 0.11 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 1qi8 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qi8 s ASP 47 N -4.00 6.86 -0.10 1.61 2.15 -1.26 -4.88 116.67 117.05 1qi8 s ASP 47 Ca 0.00 1.50 0.13 0.00 0.43 0.00 0.00 52.55 54.61 1qi8 s ASP 47 Cb 0.00 -2.54 0.24 0.00 -0.30 0.00 0.00 42.92 40.32 1qi8 s ASP 47 CO 0.00 -0.87 1.12 0.18 -0.17 0.00 0.00 175.17 175.43 1qi8 n LEU 48 N 6.95 1.71 0.08 -1.34 4.77 -1.26 -4.22 117.00 123.69 1qi8 n LEU 48 Ca 0.14 -2.58 -0.08 0.00 -0.03 0.00 0.00 56.01 53.46 1qi8 n LEU 48 Cb 0.46 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1qi8 n LEU 48 CO 0.58 0.66 0.28 0.77 -1.33 0.00 0.00 177.39 178.34 1qi8 h SER 49 N 0.16 0.25 -3.43 -1.43 4.64 -1.94 -3.44 113.55 108.37 1qi8 h SER 49 Ca -0.01 -0.20 -0.43 0.00 -0.47 0.00 0.00 61.79 60.68 1qi8 h SER 49 Cb 1.15 -0.08 -0.14 0.00 -0.31 0.00 0.00 62.40 63.02 1qi8 h SER 49 CO 0.01 0.99 -0.68 0.42 -0.87 0.00 0.00 176.83 176.69 1qi8 s THR 50 N -3.27 1.39 0.20 2.95 -4.23 -1.26 -5.05 115.64 106.38 1qi8 s THR 50 Ca -0.03 -2.10 -0.10 0.00 -1.18 0.00 0.00 61.69 58.28 1qi8 s THR 50 Cb 0.10 -2.27 0.13 0.00 1.34 0.00 0.00 72.50 71.80 1qi8 s THR 50 CO 0.82 -0.42 1.81 -0.65 -0.54 0.00 0.00 174.62 175.65 1qi8 h PRO 51 N 2.46 0.65 -0.84 3.99 0.11 -1.98 -1.81 132.00 134.57 1qi8 h PRO 51 Ca -0.39 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.69 1qi8 h PRO 51 Cb 1.22 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1qi8 h PRO 51 CO 0.65 0.43 0.55 -0.44 -0.21 0.00 0.00 178.00 178.98 1qi8 h ASP 52 N 0.67 0.97 -0.22 -2.05 3.32 -1.99 -1.31 116.42 115.81 1qi8 h ASP 52 Ca 0.28 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1qi8 h ASP 52 Cb 0.14 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1qi8 h ASP 52 CO -0.16 0.71 0.08 0.00 -1.72 0.00 0.00 179.24 178.15 1qi8 h ALA 53 N 1.31 0.29 0.00 3.45 0.00 -1.76 -1.53 119.26 121.02 1qi8 h ALA 53 Ca 0.31 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1qi8 h ALA 53 Cb -0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1qi8 h ALA 53 CO -0.07 -0.10 -0.04 0.28 0.00 0.00 0.00 179.25 179.32 1qi8 h VAL 54 N 0.21 0.90 -0.03 0.00 2.07 -1.13 -2.28 116.25 115.98 1qi8 h VAL 54 Ca 0.07 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 1qi8 h VAL 54 Cb 0.20 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1qi8 h VAL 54 CO -0.00 0.00 -0.17 0.24 0.02 0.00 0.00 177.57 177.65 1qi8 h MET 55 N -0.07 0.04 -0.18 1.57 2.07 -1.17 -2.60 114.93 114.60 1qi8 h MET 55 Ca 0.02 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1qi8 h MET 55 Cb 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.81 1qi8 h MET 55 CO -0.04 0.22 0.00 0.41 1.07 0.00 0.00 176.91 178.57 1qi8 n GLY 56 N -0.98 0.74 3.64 8.32 0.00 -0.58 -4.91 105.19 111.43 1qi8 n GLY 56 Ca -0.02 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1qi8 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qi8 s ASN 57 N -1.69 6.96 0.42 1.61 3.84 -0.87 -4.92 114.94 120.29 1qi8 s ASN 57 Ca 0.34 1.18 0.13 0.00 0.21 0.00 0.00 52.86 54.72 1qi8 s ASN 57 Cb 0.20 -2.54 1.00 0.00 -0.55 0.00 0.00 41.25 39.35 1qi8 s ASN 57 CO 0.30 -0.83 1.97 1.55 -2.79 0.00 0.00 177.10 177.29 1qi8 h PRO 58 N 8.01 0.44 -0.04 0.43 0.13 -1.91 -1.95 132.00 137.12 1qi8 h PRO 58 Ca -0.21 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.76 1qi8 h PRO 58 Cb 1.06 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1qi8 h PRO 58 CO 1.02 0.29 -0.60 0.87 -0.23 0.00 0.00 178.00 179.35 1qi8 h LYS 59 N 0.45 0.12 -0.52 0.86 1.57 -1.91 -1.32 116.57 115.82 1qi8 h LYS 59 Ca 0.29 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1qi8 h LYS 59 Cb 0.54 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1qi8 h LYS 59 CO -0.09 0.69 -0.03 0.28 -0.57 0.00 0.00 179.45 179.73 1qi8 h VAL 60 N 0.09 1.27 -0.41 0.50 2.07 -1.69 -1.53 116.25 116.55 1qi8 h VAL 60 Ca -0.01 -1.15 -0.12 0.00 0.82 0.00 0.00 66.70 66.24 1qi8 h VAL 60 Cb 1.08 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1qi8 h VAL 60 CO 0.09 0.41 -0.24 0.11 0.02 0.00 0.00 177.57 177.95 1qi8 h LYS 61 N 0.81 0.84 -0.51 1.57 1.57 -1.30 0.95 116.57 120.51 1qi8 h LYS 61 Ca 0.14 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 1qi8 h LYS 61 Cb 0.57 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1qi8 h LYS 61 CO 0.03 0.99 -0.06 0.00 -0.57 0.00 0.00 179.45 179.85 1qi8 h ALA 62 N 0.99 0.69 -0.57 3.86 0.00 -1.20 -1.48 119.26 121.56 1qi8 h ALA 62 Ca 0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1qi8 h ALA 62 Cb 0.78 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1qi8 h ALA 62 CO 0.06 0.56 0.15 0.37 0.00 0.00 0.00 179.25 180.40 1qi8 h GLN 63 N 0.81 0.91 -0.21 0.00 5.75 -1.00 -2.05 115.11 119.31 1qi8 h GLN 63 Ca 0.14 -0.21 0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1qi8 h GLN 63 Cb 0.61 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 1qi8 h GLN 63 CO 0.04 0.84 -0.06 0.78 -2.65 0.00 0.00 178.83 177.78 1qi8 h GLY 64 N 0.81 0.14 0.16 2.39 0.00 -0.50 -1.74 103.07 104.32 1qi8 h GLY 64 Ca 0.18 0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.67 1qi8 h GLY 64 CO -0.00 -0.08 -0.13 1.70 0.00 0.00 0.00 176.54 178.03 1qi8 h LYS 65 N -0.01 -0.04 0.16 4.80 3.64 -1.02 -1.50 116.57 122.60 1qi8 h LYS 65 Ca 0.10 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1qi8 h LYS 65 Cb 0.16 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1qi8 h LYS 65 CO -0.22 -0.03 -0.34 -0.22 -2.27 0.00 0.00 179.45 176.37 1qi8 h LYS 66 N -0.04 -0.58 -0.19 1.90 3.64 -1.11 -0.91 116.57 119.28 1qi8 h LYS 66 Ca 0.19 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1qi8 h LYS 66 Cb 0.33 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1qi8 h LYS 66 CO -0.43 -0.38 0.05 0.28 -2.27 0.00 0.00 179.45 176.70 1qi8 h VAL 67 N -0.60 1.20 0.00 2.00 2.07 -1.22 -2.64 116.25 117.05 1qi8 h VAL 67 Ca 0.02 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 1qi8 h VAL 67 Cb 0.61 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1qi8 h VAL 67 CO -0.18 0.19 -0.33 -0.07 0.02 0.00 0.00 177.57 177.21 1qi8 h LEU 68 N 0.12 0.00 -0.44 2.57 3.38 -1.26 -1.00 115.31 118.69 1qi8 h LEU 68 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1qi8 h LEU 68 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1qi8 h LEU 68 CO -0.00 0.33 0.21 1.23 0.09 0.00 0.00 178.44 180.29 1qi8 h GLY 69 N 1.40 0.68 1.46 0.83 0.00 -1.08 0.54 103.07 106.90 1qi8 h GLY 69 Ca -0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 1qi8 h GLY 69 CO 0.04 0.32 -0.49 0.00 0.00 0.00 0.00 176.54 176.41 1qi8 h ALA 70 N 1.05 0.74 -0.80 3.60 0.00 -1.11 -2.42 119.26 120.33 1qi8 h ALA 70 Ca 0.15 -0.49 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1qi8 h ALA 70 Cb 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1qi8 h ALA 70 CO -0.02 0.67 0.50 0.35 0.00 0.00 0.00 179.25 180.76 1qi8 h PHE 71 N 0.45 0.93 -0.79 0.00 3.04 -1.00 -2.33 116.94 117.25 1qi8 h PHE 71 Ca 0.02 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 1qi8 h PHE 71 Cb 1.02 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 39.19 1qi8 h PHE 71 CO 0.04 0.51 0.33 1.03 -2.02 0.00 0.00 178.31 178.21 1qi8 h SER 72 N 0.95 1.07 -0.02 0.41 0.87 -0.53 -1.24 113.55 115.06 1qi8 h SER 72 Ca 0.33 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 1qi8 h SER 72 Cb 0.07 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1qi8 h SER 72 CO -0.14 0.93 -0.14 0.44 -0.53 0.00 0.00 176.83 177.40 1qi8 h ASP 73 N 1.14 0.31 0.19 6.23 3.32 -1.05 -1.08 116.42 125.48 1qi8 h ASP 73 Ca 0.27 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 1qi8 h ASP 73 Cb 0.18 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1qi8 h ASP 73 CO -0.03 0.48 -0.30 1.23 -1.72 0.00 0.00 179.24 178.90 1qi8 h GLY 74 N 0.83 0.19 2.00 2.75 0.00 -0.71 -2.54 103.07 105.59 1qi8 h GLY 74 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1qi8 h GLY 74 CO 0.03 0.14 0.00 1.41 0.00 0.00 0.00 176.54 178.11 1qi8 h LEU 75 N 0.16 0.00 0.00 3.11 4.07 -0.78 -0.12 115.31 121.75 1qi8 h LEU 75 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1qi8 h LEU 75 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1qi8 h LEU 75 CO 0.04 0.00 -0.09 0.00 -1.08 0.00 0.00 178.44 177.31 1qi8 n ALA 76 N -2.04 2.38 -2.47 1.53 0.00 -0.96 -4.04 120.51 114.92 1qi8 n ALA 76 Ca -0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 1qi8 n ALA 76 Cb 0.22 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.25 1qi8 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1qi8 n HIS 77 N -2.24 2.87 0.31 0.00 8.25 -0.06 -4.89 115.22 119.45 1qi8 n HIS 77 Ca 0.05 -2.92 0.18 0.00 -0.26 0.00 0.00 57.72 54.78 1qi8 n HIS 77 Cb 0.43 -0.17 0.99 0.00 1.12 0.00 0.00 29.99 32.37 1qi8 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1qi8 h LEU 78 N 2.60 0.00 0.00 2.41 4.07 -1.68 -1.47 115.31 121.24 1qi8 h LEU 78 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1qi8 h LEU 78 Cb 1.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1qi8 h LEU 78 CO 0.76 0.02 -0.09 0.47 -1.08 0.00 0.00 178.44 178.52 1qi8 n ASP 79 N -3.38 0.22 -2.96 -0.43 8.00 -1.26 0.03 116.55 116.77 1qi8 n ASP 79 Ca -0.02 0.40 -0.15 0.00 0.71 0.00 0.00 54.79 55.73 1qi8 n ASP 79 Cb 0.13 -0.42 0.01 0.00 -0.02 0.00 0.00 41.12 40.82 1qi8 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1qi8 n ASN 80 N -1.64 -1.14 -0.17 -2.24 2.85 -0.56 -3.52 115.26 108.84 1qi8 n ASN 80 Ca 0.06 -3.19 -0.09 0.00 -0.11 0.00 0.00 54.58 51.26 1qi8 n ASN 80 Cb 0.36 0.68 0.05 0.00 1.24 0.00 0.00 39.78 42.11 1qi8 n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1qi8 h LEU 81 N 3.51 0.97 -0.50 1.20 3.38 -1.74 -1.78 115.31 120.35 1qi8 h LEU 81 Ca -0.03 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.67 1qi8 h LEU 81 Cb 1.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1qi8 h LEU 81 CO 0.35 1.07 0.29 0.11 0.09 0.00 0.00 178.44 180.35 1qi8 h LYS 82 N 0.88 0.56 -0.34 1.13 1.57 -1.91 -0.97 116.57 117.49 1qi8 h LYS 82 Ca 0.14 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.76 1qi8 h LYS 82 Cb 0.63 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1qi8 h LYS 82 CO 0.04 0.37 -0.31 0.78 -0.57 0.00 0.00 179.45 179.77 1qi8 h GLY 83 N 0.58 0.79 1.02 3.86 0.00 -1.93 -2.48 103.07 104.91 1qi8 h GLY 83 Ca 0.20 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1qi8 h GLY 83 CO -0.10 0.66 0.33 -0.84 0.00 0.00 0.00 176.54 176.59 1qi8 h THR 84 N 0.62 1.24 -0.60 4.70 2.02 -1.04 -3.16 112.91 116.69 1qi8 h THR 84 Ca 0.07 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1qi8 h THR 84 Cb 0.82 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1qi8 h THR 84 CO 0.07 0.29 0.00 0.49 0.37 0.00 0.00 175.52 176.74 1qi8 n PHE 85 N -4.39 1.43 -0.21 3.16 3.72 -0.39 -4.64 117.46 116.13 1qi8 n PHE 85 Ca 0.06 -0.63 -0.06 0.00 -0.05 0.00 0.00 57.45 56.76 1qi8 n PHE 85 Cb 0.15 -0.25 0.03 0.00 -0.94 0.00 0.00 39.48 38.47 1qi8 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qi8 h ALA 86 N 3.80 0.76 -0.34 4.37 0.00 -1.41 0.18 119.26 126.62 1qi8 h ALA 86 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1qi8 h ALA 86 Cb 1.45 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1qi8 h ALA 86 CO 0.24 0.25 0.03 1.15 0.00 0.00 0.00 179.25 180.92 1qi8 h THR 87 N 0.80 1.25 0.00 0.00 2.02 -1.84 -2.17 112.91 112.97 1qi8 h THR 87 Ca 0.21 -0.89 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 1qi8 h THR 87 Cb -0.01 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1qi8 h THR 87 CO -0.04 0.29 -0.48 -0.07 0.37 0.00 0.00 175.52 175.59 1qi8 h LEU 88 N 0.41 0.00 0.33 2.58 3.38 -1.83 -2.20 115.31 117.99 1qi8 h LEU 88 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1qi8 h LEU 88 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1qi8 h LEU 88 CO 0.01 0.48 -0.20 -1.28 0.09 0.00 0.00 178.44 177.54 1qi8 h SER 89 N 0.00 -0.50 -0.92 -0.43 0.87 -0.36 -0.38 113.55 111.84 1qi8 h SER 89 Ca -0.00 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1qi8 h SER 89 Cb 0.88 0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.93 1qi8 h SER 89 CO 0.06 -0.32 0.60 -0.33 -0.53 0.00 0.00 176.83 176.31 1qi8 h GLU 90 N -0.51 1.06 -0.14 2.24 5.08 -1.30 -1.96 114.58 119.05 1qi8 h GLU 90 Ca -0.04 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1qi8 h GLU 90 Cb 0.42 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1qi8 h GLU 90 CO 0.04 0.70 0.08 1.25 -1.00 0.00 0.00 179.01 180.08 1qi8 h LEU 91 N 1.09 0.17 -1.49 1.33 5.85 -1.14 0.18 115.31 121.31 1qi8 h LEU 91 Ca 0.38 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 1qi8 h LEU 91 Cb 0.11 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1qi8 h LEU 91 CO -0.13 0.19 -0.17 0.45 -0.34 0.00 0.00 178.44 178.45 1qi8 h HIS 92 N 0.14 0.13 0.08 1.25 3.86 -0.72 -1.84 115.15 118.05 1qi8 h HIS 92 Ca 0.05 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1qi8 h HIS 92 Cb 0.06 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1qi8 h HIS 92 CO -0.05 0.29 -0.04 0.00 0.86 0.00 0.00 177.93 179.00 1qi8 h ASP 94 N -0.74 0.35 0.00 0.00 3.32 -1.02 -3.15 116.42 115.18 1qi8 h ASP 94 Ca -0.01 -0.20 -0.30 0.00 0.02 0.00 0.00 57.03 56.54 1qi8 h ASP 94 Cb 0.08 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 1qi8 h ASP 94 CO 0.02 0.88 -2.15 0.29 -1.72 0.00 0.00 179.24 176.55 1qi8 n LYS 95 N -3.88 0.51 0.02 3.56 4.76 -0.76 -4.72 118.16 117.65 1qi8 n LYS 95 Ca -0.03 0.12 0.11 0.00 -2.87 0.00 0.00 58.31 55.64 1qi8 n LYS 95 Cb 0.63 -1.40 -0.02 0.00 -1.84 0.00 0.00 35.03 32.40 1qi8 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1qi8 n LEU 96 N -3.09 0.58 -3.83 -0.35 4.77 -0.77 -4.99 117.00 109.32 1qi8 n LEU 96 Ca -0.36 -0.04 -0.24 0.00 -0.03 0.00 0.00 56.01 55.34 1qi8 n LEU 96 Cb 0.88 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1qi8 n LEU 96 CO 0.20 0.04 -0.16 1.41 -1.33 0.00 0.00 177.39 177.56 1qi8 n HIS 97 N -1.99 -1.77 -3.50 -1.77 8.25 -0.57 -4.97 115.22 108.91 1qi8 n HIS 97 Ca 0.01 0.76 -0.38 0.00 -0.26 0.00 0.00 57.72 57.86 1qi8 n HIS 97 Cb 0.45 -3.97 -0.08 0.00 1.12 0.00 0.00 29.99 27.51 1qi8 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1qi8 s VAL 98 N -3.82 5.26 0.18 1.59 1.01 -0.60 -5.04 120.40 118.99 1qi8 s VAL 98 Ca 0.04 0.49 -0.32 0.00 0.00 0.00 0.00 61.98 62.19 1qi8 s VAL 98 Cb -0.01 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 1qi8 s VAL 98 CO 0.86 0.28 1.68 -0.62 0.00 0.00 0.00 175.10 177.29 1qi8 s ASP 99 N 1.11 6.46 0.19 3.32 -1.08 -1.26 -4.77 116.67 120.64 1qi8 s ASP 99 Ca 0.14 2.76 0.19 0.00 -0.52 0.00 0.00 52.55 55.12 1qi8 s ASP 99 Cb -0.14 -2.59 0.85 0.00 -1.46 0.00 0.00 42.92 39.57 1qi8 s ASP 99 CO 0.07 -0.92 1.58 -2.65 0.52 0.00 0.00 175.17 173.77 1qi8 n PRO 100 N 4.15 0.12 0.19 4.34 -0.02 -1.26 -1.95 135.00 140.57 1qi8 n PRO 100 Ca 0.15 0.44 0.11 0.00 -2.02 0.00 0.00 63.50 62.19 1qi8 n PRO 100 Cb 0.37 -1.78 0.66 0.00 -0.02 0.00 0.00 33.50 32.73 1qi8 n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1qi8 h GLU 101 N 0.00 0.00 -0.70 -0.52 4.57 -1.99 -1.20 114.58 114.74 1qi8 h GLU 101 Ca 0.00 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 1qi8 h GLU 101 Cb 0.23 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 1qi8 h GLU 101 CO 0.00 0.00 0.46 -0.91 -1.18 0.00 0.00 179.01 177.38 1qi8 h ASN 102 N 0.00 0.58 -0.53 1.04 4.21 -1.77 -2.05 115.58 117.05 1qi8 h ASN 102 Ca 0.07 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.57 1qi8 h ASN 102 Cb 0.28 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.34 1qi8 h ASN 102 CO -0.00 0.36 0.26 -0.26 -1.29 0.00 0.00 177.43 176.50 1qi8 h PHE 103 N 0.65 0.79 -0.17 1.19 0.04 -1.42 -1.13 116.94 116.89 1qi8 h PHE 103 Ca 0.32 -0.03 -0.18 0.00 2.80 0.00 0.00 57.97 60.88 1qi8 h PHE 103 Cb 0.39 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.29 1qi8 h PHE 103 CO -0.00 0.59 -0.63 -0.09 -0.60 0.00 0.00 178.31 177.58 1qi8 h ARG 104 N 0.80 0.61 -0.60 1.51 2.43 -1.45 -2.02 114.38 115.66 1qi8 h ARG 104 Ca 0.20 -0.43 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 1qi8 h ARG 104 Cb 0.10 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1qi8 h ARG 104 CO -0.03 1.05 0.23 -0.07 -1.51 0.00 0.00 179.97 179.65 1qi8 h LEU 105 N 0.45 0.84 -0.96 3.80 3.38 -1.12 -2.08 115.31 119.62 1qi8 h LEU 105 Ca -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1qi8 h LEU 105 Cb 1.21 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1qi8 h LEU 105 CO 0.12 0.79 0.32 0.25 0.09 0.00 0.00 178.44 180.01 1qi8 h LEU 106 N 0.84 0.98 -0.77 1.67 5.85 -1.14 -1.98 115.31 120.76 1qi8 h LEU 106 Ca 0.20 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1qi8 h LEU 106 Cb 0.22 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1qi8 h LEU 106 CO -0.01 0.85 0.50 1.23 -0.34 0.00 0.00 178.44 180.66 1qi8 h GLY 107 N 1.10 1.09 1.23 3.75 0.00 -1.10 0.17 103.07 109.32 1qi8 h GLY 107 Ca 0.25 -0.39 -0.20 0.00 0.00 0.00 0.00 47.33 46.99 1qi8 h GLY 107 CO -0.03 0.36 -0.67 3.43 0.00 0.00 0.00 176.54 179.63 1qi8 h ASN 108 N 1.00 0.90 -0.79 0.19 2.35 -0.90 -2.25 115.58 116.07 1qi8 h ASN 108 Ca 0.29 -0.54 -0.01 0.00 -0.55 0.00 0.00 56.30 55.49 1qi8 h ASN 108 Cb -0.06 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.01 1qi8 h ASN 108 CO -0.08 1.33 0.44 0.58 -1.65 0.00 0.00 177.43 178.04 1qi8 h VAL 109 N 0.56 1.24 -0.79 2.81 2.07 -1.08 -1.92 116.25 119.14 1qi8 h VAL 109 Ca -0.02 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1qi8 h VAL 109 Cb 1.28 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1qi8 h VAL 109 CO 0.14 0.26 0.44 0.25 0.02 0.00 0.00 177.57 178.68 1qi8 h LEU 110 N 1.10 0.98 -0.49 2.57 5.85 -0.48 -0.77 115.31 124.06 1qi8 h LEU 110 Ca 0.28 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1qi8 h LEU 110 Cb 0.02 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1qi8 h LEU 110 CO -0.05 0.79 0.23 0.58 -0.34 0.00 0.00 178.44 179.66 1qi8 h VAL 111 N 1.11 1.19 -0.87 1.05 2.07 -1.07 -0.65 116.25 119.08 1qi8 h VAL 111 Ca 0.28 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1qi8 h VAL 111 Cb 0.02 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1qi8 h VAL 111 CO -0.05 0.22 0.58 0.00 0.02 0.00 0.00 177.57 178.34 1qi8 h VAL 113 N 1.18 1.28 -0.69 0.00 2.07 -0.62 -1.21 116.25 118.26 1qi8 h VAL 113 Ca 0.32 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 1qi8 h VAL 113 Cb -0.13 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1qi8 h VAL 113 CO -0.07 0.46 0.38 -0.07 0.02 0.00 0.00 177.57 178.29 1qi8 h LEU 114 N 0.63 0.85 -0.78 2.57 3.38 -0.95 0.40 115.31 121.41 1qi8 h LEU 114 Ca 0.08 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1qi8 h LEU 114 Cb 0.80 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1qi8 h LEU 114 CO 0.07 0.70 0.41 0.00 0.09 0.00 0.00 178.44 179.71 1qi8 h ALA 115 N 1.19 1.00 -0.53 1.53 0.00 -1.14 0.35 119.26 121.65 1qi8 h ALA 115 Ca 0.24 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1qi8 h ALA 115 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1qi8 h ALA 115 CO -0.04 0.52 0.14 1.25 0.00 0.00 0.00 179.25 181.13 1qi8 h HIS 116 N 1.08 0.88 -0.04 0.00 -0.00 -0.64 -0.30 115.15 116.13 1qi8 h HIS 116 Ca 0.27 -0.10 -0.08 0.00 -0.00 0.00 0.00 60.37 60.46 1qi8 h HIS 116 Cb 0.06 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.22 1qi8 h HIS 116 CO 0.00 0.77 -0.28 1.25 -0.00 0.00 0.00 177.93 179.67 1qi8 h HIS 117 N 0.75 0.37 0.00 5.26 6.17 -0.74 -3.36 115.15 123.59 1qi8 h HIS 117 Ca 0.17 -0.17 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1qi8 h HIS 117 Cb 0.32 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.19 1qi8 h HIS 117 CO 0.02 0.91 -0.56 1.19 0.71 0.00 0.00 177.93 180.20 1qi8 n PHE 118 N -4.47 0.16 -1.26 5.26 3.72 0.10 -5.05 117.46 115.92 1qi8 n PHE 118 Ca -0.09 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1qi8 n PHE 118 Cb 0.49 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 1qi8 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qi8 n GLY 119 N 1.45 2.94 0.28 1.37 0.00 -0.13 -2.85 105.19 108.25 1qi8 n GLY 119 Ca 0.05 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 45.95 1qi8 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qi8 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -1.38 116.57 116.94 1qi8 h LYS 120 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1qi8 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1qi8 h LYS 120 CO 0.00 0.07 -0.14 1.49 -2.00 0.00 0.00 179.45 178.87 1qi8 h GLU 121 N 0.00 0.00 -3.61 0.07 4.81 -1.93 -3.29 114.58 110.63 1qi8 h GLU 121 Ca -0.00 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 1qi8 h GLU 121 Cb 0.26 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.55 1qi8 h GLU 121 CO 0.01 0.14 2.63 0.34 -0.73 0.00 0.00 179.01 181.41 1qi8 n PHE 122 N -3.84 3.11 -0.96 0.92 7.35 -0.52 -4.95 117.46 118.57 1qi8 n PHE 122 Ca -0.02 -2.89 -0.29 0.00 -0.76 0.00 0.00 57.45 53.49 1qi8 n PHE 122 Cb 0.24 -2.23 0.19 0.00 0.35 0.00 0.00 39.48 38.03 1qi8 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1qi8 s THR 123 N 1.54 2.25 0.22 -2.13 -4.23 -1.24 -4.69 115.64 107.36 1qi8 s THR 123 Ca 0.46 0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.96 1qi8 s THR 123 Cb 0.13 -2.40 0.20 0.00 1.34 0.00 0.00 72.50 71.76 1qi8 s THR 123 CO -0.05 -0.10 1.69 -0.65 -0.54 0.00 0.00 174.62 174.97 1qi8 h PRO 124 N -2.00 0.23 -0.21 3.99 0.11 -1.94 0.07 132.00 132.26 1qi8 h PRO 124 Ca -0.54 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.46 1qi8 h PRO 124 Cb 1.31 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1qi8 h PRO 124 CO 0.53 0.15 -0.28 -1.35 -0.21 0.00 0.00 178.00 176.84 1qi8 h PRO 125 N 0.23 0.40 -0.32 1.05 0.11 -2.00 -1.13 132.00 130.35 1qi8 h PRO 125 Ca 0.35 -0.16 -0.07 0.00 0.11 0.00 0.00 66.00 66.23 1qi8 h PRO 125 Cb 0.57 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1qi8 h PRO 125 CO -0.47 0.65 -0.09 0.28 -0.21 0.00 0.00 178.00 178.16 1qi8 h VAL 126 N 0.35 1.28 -0.77 3.15 2.07 -1.67 -2.57 116.25 118.09 1qi8 h VAL 126 Ca 0.05 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.45 1qi8 h VAL 126 Cb 0.68 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1qi8 h VAL 126 CO 0.05 0.37 0.50 -0.61 0.02 0.00 0.00 177.57 177.90 1qi8 h GLN 127 N 0.41 0.96 -0.84 1.57 4.15 -0.68 -2.09 115.11 118.59 1qi8 h GLN 127 Ca 0.08 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.49 1qi8 h GLN 127 Cb 0.59 -0.22 -0.06 0.00 0.21 0.00 0.00 27.48 28.01 1qi8 h GLN 127 CO 0.03 0.63 0.52 0.00 -1.93 0.00 0.00 178.83 178.09 1qi8 h ALA 128 N 1.31 1.13 -0.27 3.38 0.00 -1.08 0.15 119.26 123.89 1qi8 h ALA 128 Ca 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1qi8 h ALA 128 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1qi8 h ALA 128 CO -0.10 0.30 0.14 0.00 0.00 0.00 0.00 179.25 179.59 1qi8 h ALA 129 N 1.38 0.34 -0.31 0.00 0.00 -1.03 -2.30 119.26 117.33 1qi8 h ALA 129 Ca 0.35 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1qi8 h ALA 129 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1qi8 h ALA 129 CO -0.15 -0.11 -0.07 1.88 0.00 0.00 0.00 179.25 180.80 1qi8 h TYR 130 N 0.31 0.53 -0.65 0.00 0.05 -0.77 -2.21 116.97 114.21 1qi8 h TYR 130 Ca 0.09 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 1qi8 h TYR 130 Cb 0.09 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 1qi8 h TYR 130 CO -0.03 0.56 0.28 1.96 -1.05 0.00 0.00 178.16 179.89 1qi8 h GLN 131 N 0.47 0.96 -0.46 4.88 1.08 -0.53 0.15 115.11 121.66 1qi8 h GLN 131 Ca 0.09 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1qi8 h GLN 131 Cb 0.41 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1qi8 h GLN 131 CO 0.02 0.79 0.22 0.87 -0.95 0.00 0.00 178.83 179.78 1qi8 h LYS 132 N 0.91 0.66 -0.43 1.46 1.57 -1.15 -2.36 116.57 117.24 1qi8 h LYS 132 Ca 0.22 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1qi8 h LYS 132 Cb 0.17 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1qi8 h LYS 132 CO -0.02 0.56 0.13 0.28 -0.57 0.00 0.00 179.45 179.83 1qi8 h VAL 133 N 0.60 1.22 -0.18 0.50 2.07 -1.04 -0.17 116.25 119.25 1qi8 h VAL 133 Ca 0.16 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 1qi8 h VAL 133 Cb 0.12 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1qi8 h VAL 133 CO -0.02 0.26 -0.26 -0.37 0.02 0.00 0.00 177.57 177.19 1qi8 h VAL 134 N 0.55 1.26 -0.42 2.57 -1.51 -0.91 -0.94 116.25 116.84 1qi8 h VAL 134 Ca 0.14 -1.21 -0.05 0.00 -1.23 0.00 0.00 66.70 64.34 1qi8 h VAL 134 Cb 0.26 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 30.82 1qi8 h VAL 134 CO -0.00 0.37 0.05 0.00 -1.23 0.00 0.00 177.57 176.76 1qi8 h ALA 135 N 1.43 0.55 -0.37 5.19 0.00 -1.39 -0.31 119.26 124.36 1qi8 h ALA 135 Ca 0.05 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1qi8 h ALA 135 Cb 0.63 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1qi8 h ALA 135 CO 0.05 0.28 0.20 0.78 0.00 0.00 0.00 179.25 180.56 1qi8 h GLY 136 N 0.55 0.51 0.97 0.00 0.00 -0.10 -1.71 103.07 103.29 1qi8 h GLY 136 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1qi8 h GLY 136 CO 0.01 0.12 0.15 -2.08 0.00 0.00 0.00 176.54 174.74 1qi8 h VAL 137 N 0.42 1.23 -0.61 4.60 2.07 -1.15 -0.83 116.25 121.98 1qi8 h VAL 137 Ca 0.15 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1qi8 h VAL 137 Cb 0.03 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1qi8 h VAL 137 CO -0.09 0.28 0.22 0.00 0.02 0.00 0.00 177.57 178.00 1qi8 h ALA 138 N 1.01 1.22 -0.51 1.67 0.00 -0.92 -1.21 119.26 120.52 1qi8 h ALA 138 Ca 0.16 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1qi8 h ALA 138 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1qi8 h ALA 138 CO -0.00 0.56 -0.13 -0.97 0.00 0.00 0.00 179.25 178.70 1qi8 h ASN 139 N 0.89 0.98 -0.85 0.00 -0.73 -1.15 -2.02 115.58 112.70 1qi8 h ASN 139 Ca 0.21 -0.33 -0.01 0.00 1.87 0.00 0.00 56.30 58.04 1qi8 h ASN 139 Cb 0.22 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 38.50 1qi8 h ASN 139 CO -0.01 1.10 0.51 0.00 -0.37 0.00 0.00 177.43 178.66 1qi8 h ALA 140 N 0.98 1.09 0.00 1.57 0.00 -0.74 -2.40 119.26 119.75 1qi8 h ALA 140 Ca 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1qi8 h ALA 140 Cb 0.68 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1qi8 h ALA 140 CO 0.05 0.55 -0.21 -0.07 0.00 0.00 0.00 179.25 179.58 1qi8 h LEU 141 N 1.17 0.00 -0.41 0.00 3.38 -1.11 -3.06 115.31 115.28 1qi8 h LEU 141 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1qi8 h LEU 141 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1qi8 h LEU 141 CO -0.06 0.21 -0.38 0.00 0.09 0.00 0.00 178.44 178.31 1qi8 n ALA 142 N -2.20 3.33 -0.38 1.53 0.00 -0.77 -4.45 120.51 117.57 1qi8 n ALA 142 Ca 0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 53.44 53.01 1qi8 n ALA 142 Cb 0.45 -1.07 0.12 0.00 0.00 0.00 0.00 19.45 18.95 1qi8 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1qi8 h HIS 143 N 1.01 1.25 -0.38 0.00 6.17 -1.33 -2.63 115.15 119.23 1qi8 h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1qi8 h HIS 143 Cb 0.53 -0.42 0.00 0.00 2.52 0.00 0.00 27.41 30.04 1qi8 h HIS 143 CO 0.00 0.76 0.00 1.63 0.71 0.00 0.00 177.93 181.03 1qi8 n LYS 144 N -4.41 1.98 -2.21 5.26 4.76 -1.26 -4.95 118.16 117.33 1qi8 n LYS 144 Ca 0.13 -1.42 -0.37 0.00 -2.87 0.00 0.00 58.31 53.78 1qi8 n LYS 144 Cb 0.05 -1.34 -0.00 0.00 -1.84 0.00 0.00 35.03 31.89 1qi8 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1qi8 s TYR 145 N -1.51 2.80 0.00 2.13 1.51 -0.99 -4.76 117.35 116.53 1qi8 s TYR 145 Ca 0.26 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.85 1qi8 s TYR 145 Cb 0.14 -3.41 0.00 0.00 -0.11 0.00 0.00 41.96 38.58 1qi8 s TYR 145 CO 0.17 -1.63 0.00 -2.39 -1.11 0.00 0.00 175.55 170.59