#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c40 s HIS 2 N 0.00 3.07 -0.21 3.52 5.65 -1.26 -5.04 115.29 121.02 1c40 s HIS 2 Ca 0.00 -0.27 -0.09 0.00 0.25 0.00 0.00 55.06 54.95 1c40 s HIS 2 Cb 0.00 -2.02 -0.04 0.00 -1.18 0.00 0.00 32.58 29.34 1c40 s HIS 2 CO 0.00 -0.06 0.10 -1.58 -0.65 0.00 0.00 174.74 172.56 1c40 s TRP 3 N 0.54 3.28 0.67 3.88 0.52 -1.26 -5.09 118.94 121.48 1c40 s TRP 3 Ca -0.01 0.12 -0.13 0.00 0.02 0.00 0.00 56.10 56.10 1c40 s TRP 3 Cb -0.14 -2.16 -0.00 0.00 -1.15 0.00 0.00 33.47 30.02 1c40 s TRP 3 CO 0.02 0.11 1.07 -1.54 0.02 0.00 0.00 176.95 176.63 1c40 s SER 4 N 0.66 5.37 0.36 2.95 1.04 -1.26 -4.91 113.70 117.91 1c40 s SER 4 Ca 0.05 1.74 0.05 0.00 0.48 0.00 0.00 55.95 58.28 1c40 s SER 4 Cb -0.13 -2.52 0.70 0.00 0.10 0.00 0.00 66.02 64.18 1c40 s SER 4 CO 0.01 -1.45 1.94 0.00 0.98 0.00 0.00 173.24 174.73 1c40 h ALA 5 N -0.32 1.50 -0.41 5.32 0.00 -2.01 -2.35 119.26 121.00 1c40 h ALA 5 Ca -0.45 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 1c40 h ALA 5 Cb 1.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1c40 h ALA 5 CO 0.56 0.38 -0.00 1.49 0.00 0.00 0.00 179.25 181.67 1c40 h GLU 6 N 0.52 0.66 -0.24 0.00 4.22 -2.00 -2.68 114.58 115.06 1c40 h GLU 6 Ca 0.12 -0.16 -0.08 0.00 0.08 0.00 0.00 59.36 59.32 1c40 h GLU 6 Cb 0.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1c40 h GLU 6 CO -0.01 0.68 -0.17 0.93 -2.18 0.00 0.00 179.01 178.27 1c40 h GLU 7 N 0.62 0.54 -0.26 1.92 5.08 -1.79 -2.15 114.58 118.53 1c40 h GLU 7 Ca 0.13 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1c40 h GLU 7 Cb 0.39 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1c40 h GLU 7 CO 0.01 0.83 0.11 0.87 -1.00 0.00 0.00 179.01 179.83 1c40 h LYS 8 N 0.25 0.23 -0.78 2.33 1.57 -1.35 0.27 116.57 119.10 1c40 h LYS 8 Ca 0.05 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1c40 h LYS 8 Cb 0.69 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 1c40 h LYS 8 CO 0.05 0.16 0.37 -0.56 -0.57 0.00 0.00 179.45 178.89 1c40 h GLN 9 N 0.24 1.12 -0.17 3.15 3.07 -1.50 0.98 115.11 122.01 1c40 h GLN 9 Ca 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 1c40 h GLN 9 Cb 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.41 1c40 h GLN 9 CO -0.10 0.87 0.09 1.25 0.09 0.00 0.00 178.83 181.03 1c40 h LEU 10 N 1.11 0.21 -0.03 0.06 5.85 -0.68 0.57 115.31 122.40 1c40 h LEU 10 Ca 0.27 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 1c40 h LEU 10 Cb 0.12 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.11 1c40 h LEU 10 CO -0.03 0.22 -0.43 0.16 -0.34 0.00 0.00 178.44 178.02 1c40 h ILE 11 N 0.17 1.45 0.05 4.05 3.07 -0.75 -3.21 117.51 122.34 1c40 h ILE 11 Ca 0.06 -1.92 0.01 0.00 1.55 0.00 0.00 64.86 64.56 1c40 h ILE 11 Cb 0.06 2.51 -0.02 0.00 -0.27 0.00 0.00 36.82 39.10 1c40 h ILE 11 CO -0.01 0.55 -0.12 0.74 -1.05 0.00 0.00 178.15 178.26 1c40 h THR 12 N -0.18 0.71 -0.93 0.16 2.02 -0.80 -0.93 112.91 112.96 1c40 h THR 12 Ca -0.04 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.27 1c40 h THR 12 Cb 1.13 0.71 -0.08 0.00 -1.74 0.00 0.00 68.15 68.17 1c40 h THR 12 CO 0.09 0.00 0.60 1.23 0.37 0.00 0.00 175.52 177.80 1c40 h GLY 13 N -0.23 1.38 1.04 2.16 0.00 -1.00 -2.18 103.07 104.23 1c40 h GLY 13 Ca 0.03 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 1c40 h GLY 13 CO -0.08 0.12 -0.57 -2.00 0.00 0.00 0.00 176.54 174.01 1c40 h LEU 14 N 0.82 0.81 -0.95 3.11 6.46 -1.47 -3.28 115.31 120.81 1c40 h LEU 14 Ca 0.47 -0.59 0.14 0.00 -0.12 0.00 0.00 57.88 57.77 1c40 h LEU 14 Cb 0.62 -0.24 -0.09 0.00 -0.73 0.00 0.00 40.66 40.22 1c40 h LEU 14 CO -0.23 1.26 0.57 -0.25 -0.62 0.00 0.00 178.44 179.17 1c40 h TRP 15 N 0.40 1.02 -0.07 1.25 2.91 -0.51 -1.52 115.95 119.43 1c40 h TRP 15 Ca -0.02 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.05 1c40 h TRP 15 Cb 1.19 -0.31 -0.00 0.00 -0.51 0.00 0.00 29.16 29.52 1c40 h TRP 15 CO 0.09 0.33 0.16 0.78 -1.03 0.00 0.00 178.44 178.77 1c40 h GLY 16 N 0.84 0.00 -1.40 2.65 0.00 -1.59 -1.01 103.07 102.57 1c40 h GLY 16 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1c40 h GLY 16 CO -0.31 0.00 -0.26 0.28 0.00 0.00 0.00 176.54 176.24 1c40 n LYS 17 N -3.34 1.70 -2.23 4.80 5.02 -0.58 -4.96 118.16 118.57 1c40 n LYS 17 Ca -0.01 -1.40 -0.42 0.00 -2.02 0.00 0.00 58.31 54.46 1c40 n LYS 17 Cb 0.24 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1c40 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1c40 s VAL 18 N -2.24 3.46 -0.77 -0.18 1.01 -0.39 -4.95 120.40 116.34 1c40 s VAL 18 Ca 0.22 1.06 -0.20 0.00 0.00 0.00 0.00 61.98 63.06 1c40 s VAL 18 Cb 0.19 -3.68 0.11 0.00 0.00 0.00 0.00 36.38 33.00 1c40 s VAL 18 CO 0.45 0.09 0.99 0.21 0.00 0.00 0.00 175.10 176.83 1c40 s ASN 19 N 1.06 6.39 0.31 3.32 3.04 -1.26 -4.88 114.94 122.92 1c40 s ASN 19 Ca 0.63 -1.58 0.06 0.00 0.04 0.00 0.00 52.86 52.01 1c40 s ASN 19 Cb -0.35 -2.38 0.74 0.00 -1.54 0.00 0.00 41.25 37.72 1c40 s ASN 19 CO 0.30 -1.19 1.79 0.58 -3.04 0.00 0.00 177.10 175.54 1c40 h VAL 20 N 5.87 0.73 -0.02 -5.21 2.07 -1.94 -1.57 116.25 116.18 1c40 h VAL 20 Ca -0.08 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1c40 h VAL 20 Cb 1.05 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1c40 h VAL 20 CO 1.12 0.14 -0.01 0.00 0.02 0.00 0.00 177.57 178.84 1c40 h ALA 21 N 1.63 0.02 -0.14 1.67 0.00 -1.90 -0.37 119.26 120.17 1c40 h ALA 21 Ca 0.56 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 1c40 h ALA 21 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1c40 h ALA 21 CO -0.35 -0.26 -0.25 -0.44 0.00 0.00 0.00 179.25 177.95 1c40 h ASP 22 N -0.38 0.47 -0.05 0.00 3.32 -1.92 -1.75 116.42 116.10 1c40 h ASP 22 Ca 0.00 -0.54 -0.12 0.00 0.02 0.00 0.00 57.03 56.40 1c40 h ASP 22 Cb 0.44 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1c40 h ASP 22 CO 0.00 0.92 -0.33 0.00 -1.72 0.00 0.00 179.24 178.12 1c40 h GLY 24 N 1.05 0.15 1.17 0.00 0.00 -1.03 -0.00 103.07 104.40 1c40 h GLY 24 Ca 0.05 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1c40 h GLY 24 CO 0.06 0.08 0.02 0.00 0.00 0.00 0.00 176.54 176.70 1c40 h ALA 25 N 0.86 0.92 -0.35 3.60 0.00 -1.19 -2.46 119.26 120.64 1c40 h ALA 25 Ca 0.03 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1c40 h ALA 25 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1c40 h ALA 25 CO -0.00 0.65 -0.11 1.49 0.00 0.00 0.00 179.25 181.28 1c40 h GLU 26 N 0.92 0.69 -0.37 0.00 4.57 -1.04 -1.54 114.58 117.82 1c40 h GLU 26 Ca 0.17 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 1c40 h GLU 26 Cb 0.51 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1c40 h GLU 26 CO 0.03 0.86 0.14 0.00 -1.18 0.00 0.00 179.01 178.86 1c40 h ALA 27 N 0.81 0.48 -0.45 2.92 0.00 -0.91 -1.53 119.26 120.57 1c40 h ALA 27 Ca 0.09 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1c40 h ALA 27 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1c40 h ALA 27 CO 0.04 0.09 -0.17 1.25 0.00 0.00 0.00 179.25 180.46 1c40 h LEU 28 N 0.44 0.88 -0.68 0.00 7.12 -1.43 -1.87 115.31 119.78 1c40 h LEU 28 Ca 0.12 -0.30 -0.03 0.00 0.13 0.00 0.00 57.88 57.80 1c40 h LEU 28 Cb 0.21 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 40.07 1c40 h LEU 28 CO -0.01 1.04 0.32 0.00 -0.13 0.00 0.00 178.44 179.66 1c40 h ALA 29 N 1.03 0.88 -0.37 1.25 0.00 -1.19 -2.49 119.26 118.37 1c40 h ALA 29 Ca 0.11 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1c40 h ALA 29 Cb 0.71 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1c40 h ALA 29 CO 0.05 0.45 -0.09 0.00 0.00 0.00 0.00 179.25 179.67 1c40 h ARG 30 N 0.95 0.63 -0.64 0.00 3.08 -1.01 -1.78 114.38 115.62 1c40 h ARG 30 Ca 0.23 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 1c40 h ARG 30 Cb 0.13 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1c40 h ARG 30 CO -0.03 0.72 0.18 1.25 -1.07 0.00 0.00 179.97 181.02 1c40 h LEU 31 N 0.58 0.95 -0.93 3.04 5.85 -0.92 0.12 115.31 124.00 1c40 h LEU 31 Ca 0.11 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1c40 h LEU 31 Cb 0.51 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1c40 h LEU 31 CO 0.03 0.92 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.77 1c40 h LEU 32 N 0.93 0.00 0.07 2.25 3.38 -1.28 -2.32 115.31 118.35 1c40 h LEU 32 Ca 0.20 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.81 1c40 h LEU 32 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1c40 h LEU 32 CO -0.00 0.21 -2.03 -0.38 0.09 0.00 0.00 178.44 176.33 1c40 n ILE 33 N -3.31 1.67 0.28 1.22 5.41 -0.69 -3.76 119.36 120.19 1c40 n ILE 33 Ca 0.01 -0.54 0.12 0.00 1.00 0.00 0.00 62.75 63.34 1c40 n ILE 33 Cb 0.46 -1.72 0.10 0.00 -0.71 0.00 0.00 39.64 37.77 1c40 n ILE 33 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 1c40 h VAL 34 N -0.15 0.00 -2.16 1.39 -1.51 -0.87 -3.37 116.25 109.57 1c40 h VAL 34 Ca -0.46 -0.83 -0.58 0.00 -1.23 0.00 0.00 66.70 63.59 1c40 h VAL 34 Cb 1.88 1.46 -0.41 0.00 -2.13 0.00 0.00 31.29 32.10 1c40 h VAL 34 CO -0.02 0.00 -0.81 -1.22 -1.23 0.00 0.00 177.57 174.29 1c40 n TYR 35 N -2.57 1.88 -0.38 5.19 4.01 -0.87 -5.00 117.16 119.42 1c40 n TYR 35 Ca 0.02 -3.90 0.35 0.00 -0.16 0.00 0.00 57.90 54.21 1c40 n TYR 35 Cb 0.51 -0.45 0.62 0.00 -0.31 0.00 0.00 39.34 39.71 1c40 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1c40 h PRO 36 N 4.20 0.01 0.00 -0.72 0.11 -1.74 -1.42 132.00 132.44 1c40 h PRO 36 Ca 0.15 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1c40 h PRO 36 Cb 0.76 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1c40 h PRO 36 CO 0.67 0.01 -0.03 0.11 -0.21 0.00 0.00 178.00 178.54 1c40 h TRP 37 N 0.01 0.00 0.00 0.65 0.09 -1.91 -1.66 115.95 113.13 1c40 h TRP 37 Ca 0.86 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.84 1c40 h TRP 37 Cb 2.45 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.69 1c40 h TRP 37 CO -0.01 0.03 0.00 1.79 0.09 0.00 0.00 178.44 180.34 1c40 h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.56 -2.42 112.91 110.41 1c40 h THR 38 Ca -0.00 -0.28 -0.02 0.00 -0.55 0.00 0.00 66.41 65.56 1c40 h THR 38 Cb 0.20 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1c40 h THR 38 CO 0.00 0.00 -0.11 1.56 -0.25 0.00 0.00 175.52 176.73 1c40 h GLN 39 N 0.00 0.00 -0.72 4.72 4.20 -1.50 -2.59 115.11 119.22 1c40 h GLN 39 Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 1c40 h GLN 39 Cb 0.31 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1c40 h GLN 39 CO 0.00 0.11 0.48 -0.09 -0.67 0.00 0.00 178.83 178.66 1c40 h ARG 40 N 0.00 0.42 0.00 1.46 2.43 -1.63 -0.21 114.38 116.85 1c40 h ARG 40 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1c40 h ARG 40 Cb 0.25 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1c40 h ARG 40 CO 0.01 0.28 0.00 0.74 -1.51 0.00 0.00 179.97 179.49 1c40 h PHE 41 N 0.43 0.00 -0.51 2.20 0.04 -1.67 -3.30 116.94 114.13 1c40 h PHE 41 Ca 0.34 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.81 1c40 h PHE 41 Cb 0.74 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.70 1c40 h PHE 41 CO -0.00 0.00 -0.05 1.19 -0.60 0.00 0.00 178.31 178.85 1c40 n PHE 42 N -2.87 1.66 -0.01 -0.55 3.72 -0.10 -4.72 117.46 114.60 1c40 n PHE 42 Ca 0.03 -1.86 0.17 0.00 -0.05 0.00 0.00 57.45 55.74 1c40 n PHE 42 Cb 0.40 -0.60 0.63 0.00 -0.94 0.00 0.00 39.48 38.98 1c40 n PHE 42 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1c40 h SER 43 N 1.27 0.10 0.12 4.37 4.64 -1.63 -0.70 113.55 121.71 1c40 h SER 43 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1c40 h SER 43 Cb 1.64 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1c40 h SER 43 CO 0.61 0.06 0.00 -1.54 -0.87 0.00 0.00 176.83 175.09 1c40 n SER 44 N -4.42 0.00 -0.23 4.97 3.41 -1.26 -2.78 113.62 113.30 1c40 n SER 44 Ca 0.09 -0.50 0.14 0.00 -0.26 0.00 0.00 58.87 58.34 1c40 n SER 44 Cb 0.51 -0.08 0.55 0.00 -0.26 0.00 0.00 64.21 64.92 1c40 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1c40 n PHE 45 N -1.08 0.00 0.00 7.33 3.01 -0.27 -5.03 117.46 121.42 1c40 n PHE 45 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1c40 n PHE 45 Cb 0.11 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1c40 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1c40 n GLY 46 N 1.25 1.11 3.62 1.37 0.00 -1.12 -4.81 105.19 106.62 1c40 n GLY 46 Ca 0.16 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 1c40 n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c40 s ASN 47 N -4.00 6.34 -0.12 1.61 3.04 -1.26 -4.84 114.94 115.71 1c40 s ASN 47 Ca 0.00 1.34 0.24 0.00 0.04 0.00 0.00 52.86 54.48 1c40 s ASN 47 Cb 0.00 -2.53 0.46 0.00 -1.54 0.00 0.00 41.25 37.63 1c40 s ASN 47 CO 0.00 -1.34 1.15 0.18 -3.04 0.00 0.00 177.10 174.05 1c40 n LEU 48 N 8.69 1.16 0.10 3.21 4.77 -1.26 -4.41 117.00 129.25 1c40 n LEU 48 Ca 0.18 -2.48 0.13 0.00 -0.03 0.00 0.00 56.01 53.81 1c40 n LEU 48 Cb 0.46 0.22 0.42 0.00 -2.33 0.00 0.00 43.42 42.19 1c40 n LEU 48 CO 0.66 0.79 0.89 -1.54 -1.33 0.00 0.00 177.39 176.85 1c40 n SER 49 N -0.05 0.75 -3.71 -1.43 3.41 -1.26 -4.86 113.62 106.47 1c40 n SER 49 Ca 0.05 0.56 -0.11 0.00 -0.26 0.00 0.00 58.87 59.12 1c40 n SER 49 Cb 0.98 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1c40 n SER 49 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1c40 s SER 50 N -4.41 -0.14 0.26 4.04 1.04 -1.26 -5.01 113.70 108.21 1c40 s SER 50 Ca 0.11 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.22 1c40 s SER 50 Cb 0.13 0.41 0.50 0.00 0.10 0.00 0.00 66.02 67.16 1c40 s SER 50 CO 0.59 -0.74 1.77 -0.65 0.98 0.00 0.00 173.24 175.19 1c40 h PRO 51 N 2.75 0.63 -0.12 4.02 0.11 -1.99 0.10 132.00 137.50 1c40 h PRO 51 Ca -0.33 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 1c40 h PRO 51 Cb 1.22 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1c40 h PRO 51 CO 0.48 0.42 0.06 1.15 -0.21 0.00 0.00 178.00 179.90 1c40 h THR 52 N 0.65 1.10 -0.77 -1.15 2.02 -1.98 0.12 112.91 112.90 1c40 h THR 52 Ca 0.45 -0.29 0.05 0.00 0.77 0.00 0.00 66.41 67.39 1c40 h THR 52 Cb 0.59 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 1c40 h THR 52 CO -0.34 0.09 0.47 0.00 0.37 0.00 0.00 175.52 176.12 1c40 h ALA 53 N 0.95 1.04 -0.17 6.16 0.00 -1.66 0.13 119.26 125.71 1c40 h ALA 53 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1c40 h ALA 53 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1c40 h ALA 53 CO -0.01 0.22 0.06 0.82 0.00 0.00 0.00 179.25 180.34 1c40 h ILE 54 N 0.88 1.17 0.00 0.00 2.04 -0.34 0.20 117.51 121.47 1c40 h ILE 54 Ca 0.33 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1c40 h ILE 54 Cb 0.12 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1c40 h ILE 54 CO -0.15 0.16 -0.06 -0.07 0.00 0.00 0.00 178.15 178.03 1c40 h LEU 55 N 0.11 0.00 0.00 1.44 3.38 -0.40 -2.87 115.31 116.97 1c40 h LEU 55 Ca 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1c40 h LEU 55 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1c40 h LEU 55 CO -0.00 0.06 -1.58 0.61 0.09 0.00 0.00 178.44 177.62 1c40 n GLY 56 N -0.38 -1.20 3.67 0.83 0.00 -0.00 -4.93 105.19 103.19 1c40 n GLY 56 Ca -0.01 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 1c40 n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1c40 n ASN 57 N -2.62 3.98 -0.03 1.61 4.05 0.68 -4.89 115.26 118.03 1c40 n ASN 57 Ca -0.08 0.93 -0.01 0.00 0.45 0.00 0.00 54.58 55.88 1c40 n ASN 57 Cb 0.71 -1.50 0.27 0.00 1.23 0.00 0.00 39.78 40.49 1c40 n ASN 57 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1c40 h PRO 58 N 9.88 0.60 -0.37 1.20 0.11 -1.90 -2.31 132.00 139.22 1c40 h PRO 58 Ca -0.49 -0.13 -0.14 0.00 0.11 0.00 0.00 66.00 65.35 1c40 h PRO 58 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1c40 h PRO 58 CO 0.94 0.61 -0.34 0.52 -0.21 0.00 0.00 178.00 179.52 1c40 h MET 59 N 0.58 0.83 -0.15 1.05 2.86 -1.90 0.19 114.93 118.39 1c40 h MET 59 Ca 0.12 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1c40 h MET 59 Cb 0.33 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1c40 h MET 59 CO 0.01 1.04 0.09 0.28 1.06 0.00 0.00 176.91 179.39 1c40 h VAL 60 N 0.69 1.07 -0.33 -2.22 2.07 -1.86 0.25 116.25 115.93 1c40 h VAL 60 Ca 0.07 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1c40 h VAL 60 Cb 0.90 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1c40 h VAL 60 CO 0.08 0.07 0.18 -0.09 0.02 0.00 0.00 177.57 177.83 1c40 h ARG 61 N 0.17 0.36 -0.38 1.57 2.43 -1.20 -0.39 114.38 116.94 1c40 h ARG 61 Ca 0.05 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1c40 h ARG 61 Cb 0.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1c40 h ARG 61 CO -0.01 0.24 -0.08 0.00 -1.51 0.00 0.00 179.97 178.61 1c40 h ALA 62 N 1.15 0.53 -0.71 2.80 0.00 -0.36 -2.87 119.26 119.80 1c40 h ALA 62 Ca 0.13 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1c40 h ALA 62 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1c40 h ALA 62 CO -0.07 0.38 0.18 1.25 0.00 0.00 0.00 179.25 180.98 1c40 h HIS 63 N 0.54 1.18 -0.88 0.00 -0.00 -0.36 -2.69 115.15 112.94 1c40 h HIS 63 Ca 0.10 -0.14 0.14 0.00 -0.00 0.00 0.00 60.37 60.47 1c40 h HIS 63 Cb 0.59 -0.33 -0.09 0.00 -0.00 0.00 0.00 27.41 27.58 1c40 h HIS 63 CO 0.05 0.95 0.48 0.78 -0.00 0.00 0.00 177.93 180.19 1c40 h GLY 64 N 1.09 1.44 0.97 5.26 0.00 -0.93 -0.68 103.07 110.21 1c40 h GLY 64 Ca 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1c40 h GLY 64 CO 0.00 0.00 0.21 1.70 0.00 0.00 0.00 176.54 178.46 1c40 h LYS 65 N 0.70 0.51 -0.76 4.80 3.64 -1.27 -2.50 116.57 121.69 1c40 h LYS 65 Ca 0.47 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.82 1c40 h LYS 65 Cb 0.62 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1c40 h LYS 65 CO -0.34 0.41 0.49 0.87 -2.27 0.00 0.00 179.45 178.61 1c40 h LYS 66 N 0.48 0.95 -0.30 1.90 1.57 -1.03 -0.68 116.57 119.46 1c40 h LYS 66 Ca 0.13 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1c40 h LYS 66 Cb 0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1c40 h LYS 66 CO -0.02 0.63 0.17 0.28 -0.57 0.00 0.00 179.45 179.94 1c40 h VAL 67 N 0.98 1.12 -0.06 0.50 2.07 -1.12 -0.84 116.25 118.90 1c40 h VAL 67 Ca 0.29 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 1c40 h VAL 67 Cb -0.04 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1c40 h VAL 67 CO -0.09 0.12 -0.40 0.25 0.02 0.00 0.00 177.57 177.47 1c40 h LEU 68 N 0.37 0.12 -0.79 2.57 5.85 -1.20 -1.65 115.31 120.58 1c40 h LEU 68 Ca 0.11 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1c40 h LEU 68 Cb 0.05 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1c40 h LEU 68 CO -0.02 0.51 0.14 0.74 -0.34 0.00 0.00 178.44 179.47 1c40 h THR 69 N 0.10 1.26 -0.60 1.05 2.02 -0.80 -1.28 112.91 114.66 1c40 h THR 69 Ca 0.01 -0.97 0.02 0.00 0.77 0.00 0.00 66.41 66.24 1c40 h THR 69 Cb 0.75 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1c40 h THR 69 CO 0.06 0.37 0.40 -1.28 0.37 0.00 0.00 175.52 175.43 1c40 h SER 70 N 1.00 0.65 0.67 4.18 0.87 -0.26 -0.25 113.55 120.41 1c40 h SER 70 Ca 0.21 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.65 1c40 h SER 70 Cb 0.38 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1c40 h SER 70 CO 0.01 0.46 -0.48 -0.26 -0.53 0.00 0.00 176.83 176.02 1c40 h PHE 71 N 0.76 0.00 -0.13 2.24 -1.00 -0.57 -2.94 116.94 115.30 1c40 h PHE 71 Ca 0.23 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.90 1c40 h PHE 71 Cb -0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 1c40 h PHE 71 CO -0.00 0.48 -0.40 0.78 -1.61 0.00 0.00 178.31 177.57 1c40 h GLY 72 N 1.83 0.30 1.52 -1.45 0.00 -0.29 -2.15 103.07 102.84 1c40 h GLY 72 Ca -0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1c40 h GLY 72 CO 0.06 0.26 -0.05 -0.55 0.00 0.00 0.00 176.54 176.26 1c40 h ASP 73 N 0.23 0.56 -0.43 0.19 3.32 -1.24 -2.17 116.42 116.88 1c40 h ASP 73 Ca 0.02 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 1c40 h ASP 73 Cb 0.81 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1c40 h ASP 73 CO 0.06 0.66 -0.18 0.00 -1.72 0.00 0.00 179.24 178.07 1c40 h ALA 74 N 1.40 0.79 0.00 3.45 0.00 -1.38 -1.37 119.26 122.15 1c40 h ALA 74 Ca 0.11 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1c40 h ALA 74 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1c40 h ALA 74 CO 0.02 0.66 -0.21 0.28 0.00 0.00 0.00 179.25 180.00 1c40 h VAL 75 N 0.81 0.94 0.00 0.00 2.07 -0.85 -1.97 116.25 117.25 1c40 h VAL 75 Ca 0.12 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1c40 h VAL 75 Cb 0.73 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1c40 h VAL 75 CO 0.06 0.20 -1.15 0.29 0.02 0.00 0.00 177.57 176.99 1c40 n LYS 76 N -3.98 0.61 -2.48 1.57 5.02 -0.87 -4.19 118.16 113.85 1c40 n LYS 76 Ca -0.02 0.10 -0.26 0.00 -2.02 0.00 0.00 58.31 56.11 1c40 n LYS 76 Cb 0.29 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1c40 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1c40 n ASN 77 N -2.66 4.59 0.34 4.39 4.13 -0.54 -4.89 115.26 120.61 1c40 n ASN 77 Ca -0.02 -3.68 0.14 0.00 1.68 0.00 0.00 54.58 52.71 1c40 n ASN 77 Cb 0.59 -0.46 0.76 0.00 -1.54 0.00 0.00 39.78 39.13 1c40 n ASN 77 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1c40 h LEU 78 N 2.59 0.00 0.00 3.41 5.85 -1.54 -0.02 115.31 125.60 1c40 h LEU 78 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1c40 h LEU 78 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1c40 h LEU 78 CO 0.83 0.00 -0.95 0.47 -0.34 0.00 0.00 178.44 178.46 1c40 n ASP 79 N -2.86 1.56 -1.89 1.25 8.00 -1.26 -4.53 116.55 116.82 1c40 n ASP 79 Ca -0.02 -0.37 -0.20 0.00 0.71 0.00 0.00 54.79 54.91 1c40 n ASP 79 Cb 0.42 1.22 0.15 0.00 -0.02 0.00 0.00 41.12 42.90 1c40 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1c40 n ASN 80 N -1.53 4.25 -0.21 -2.24 4.05 -0.04 -4.76 115.26 114.78 1c40 n ASN 80 Ca 0.00 -3.72 -0.01 0.00 0.45 0.00 0.00 54.58 51.30 1c40 n ASN 80 Cb 0.20 -0.76 0.21 0.00 1.23 0.00 0.00 39.78 40.66 1c40 n ASN 80 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1c40 h ILE 81 N 1.11 1.21 0.44 -1.44 2.04 -1.74 -2.80 117.51 116.33 1c40 h ILE 81 Ca 0.47 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1c40 h ILE 81 Cb 1.93 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1c40 h ILE 81 CO 0.95 0.23 -0.35 0.11 0.00 0.00 0.00 178.15 179.09 1c40 h LYS 82 N 0.99 -0.76 -0.38 2.37 1.79 -1.92 -2.31 116.57 116.35 1c40 h LYS 82 Ca 0.25 0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.82 1c40 h LYS 82 Cb 0.02 0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.80 1c40 h LYS 82 CO -0.04 -0.51 0.14 -0.91 -1.08 0.00 0.00 179.45 177.05 1c40 h ASN 83 N -0.79 0.15 -0.86 0.86 2.35 -1.95 -0.87 115.58 114.47 1c40 h ASN 83 Ca -0.04 0.04 0.18 0.00 -0.55 0.00 0.00 56.30 55.93 1c40 h ASN 83 Cb 0.68 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 39.01 1c40 h ASN 83 CO -0.01 0.12 0.57 0.74 -1.65 0.00 0.00 177.43 177.20 1c40 h THR 84 N 0.29 0.73 -0.23 2.81 2.02 -1.30 -2.40 112.91 114.83 1c40 h THR 84 Ca 0.17 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1c40 h THR 84 Cb 0.15 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1c40 h THR 84 CO -0.18 0.08 0.00 0.49 0.37 0.00 0.00 175.52 176.28 1c40 n PHE 85 N -4.51 0.30 -0.12 3.16 3.72 -0.89 -4.70 117.46 114.42 1c40 n PHE 85 Ca 0.18 -0.26 -0.04 0.00 -0.05 0.00 0.00 57.45 57.27 1c40 n PHE 85 Cb 0.62 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 39.18 1c40 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1c40 h ALA 86 N 2.58 0.33 0.00 4.37 0.00 -0.63 1.00 119.26 126.91 1c40 h ALA 86 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1c40 h ALA 86 Cb 0.68 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1c40 h ALA 86 CO 0.00 -0.42 -0.61 0.37 0.00 0.00 0.00 179.25 178.58 1c40 h GLN 87 N 0.05 0.00 -0.07 0.00 4.15 -1.84 -2.90 115.11 114.50 1c40 h GLN 87 Ca 0.20 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.48 1c40 h GLN 87 Cb 0.29 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1c40 h GLN 87 CO -0.37 0.61 -0.55 -0.07 -1.93 0.00 0.00 178.83 176.52 1c40 h LEU 88 N 0.00 0.24 -0.81 -2.39 3.38 -1.68 -2.41 115.31 111.64 1c40 h LEU 88 Ca -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1c40 h LEU 88 Cb 1.25 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1c40 h LEU 88 CO 0.08 0.74 0.42 -1.28 0.09 0.00 0.00 178.44 178.49 1c40 h SER 89 N 0.17 1.04 -0.29 -0.43 0.87 -0.63 -1.26 113.55 113.02 1c40 h SER 89 Ca 0.00 -0.12 -0.16 0.00 -1.23 0.00 0.00 61.79 60.28 1c40 h SER 89 Cb 1.02 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1c40 h SER 89 CO 0.08 0.86 -0.43 -0.33 -0.53 0.00 0.00 176.83 176.48 1c40 h GLU 90 N 1.14 0.85 0.58 2.24 5.08 -1.36 -0.61 114.58 122.50 1c40 h GLU 90 Ca 0.28 -0.47 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1c40 h GLU 90 Cb 0.07 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1c40 h GLU 90 CO -0.04 1.11 -0.28 1.25 -1.00 0.00 0.00 179.01 180.05 1c40 h LEU 91 N 0.68 -0.65 -0.81 1.33 5.85 -1.17 0.98 115.31 121.53 1c40 h LEU 91 Ca 0.05 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 1c40 h LEU 91 Cb 1.01 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1c40 h LEU 91 CO 0.10 -0.44 -0.07 0.45 -0.34 0.00 0.00 178.44 178.14 1c40 h HIS 92 N -0.82 0.90 0.00 1.25 3.86 -1.25 -0.29 115.15 118.80 1c40 h HIS 92 Ca -0.08 -0.15 -0.04 0.00 -1.16 0.00 0.00 60.37 58.93 1c40 h HIS 92 Cb 0.61 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1c40 h HIS 92 CO -0.03 0.86 -0.32 0.00 0.86 0.00 0.00 177.93 179.31 1c40 h ASP 94 N -1.00 0.31 0.09 0.00 3.32 -0.93 -2.80 116.42 115.41 1c40 h ASP 94 Ca -0.07 -0.38 -0.36 0.00 0.02 0.00 0.00 57.03 56.24 1c40 h ASP 94 Cb 0.68 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1c40 h ASP 94 CO -0.04 1.31 -2.05 0.29 -1.72 0.00 0.00 179.24 177.02 1c40 n LYS 95 N -3.43 0.72 -0.06 3.56 4.76 -0.83 -4.61 118.16 118.27 1c40 n LYS 95 Ca -0.11 0.26 -0.07 0.00 -2.87 0.00 0.00 58.31 55.53 1c40 n LYS 95 Cb 1.02 -1.67 -0.15 0.00 -1.84 0.00 0.00 35.03 32.39 1c40 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1c40 n LEU 96 N -3.53 0.32 -3.22 -0.35 4.77 -0.18 -5.01 117.00 109.79 1c40 n LEU 96 Ca -0.35 0.15 -0.19 0.00 -0.03 0.00 0.00 56.01 55.58 1c40 n LEU 96 Cb 1.00 0.33 0.07 0.00 -2.33 0.00 0.00 43.42 42.50 1c40 n LEU 96 CO 0.37 0.39 0.17 1.41 -1.33 0.00 0.00 177.39 178.40 1c40 n HIS 97 N -2.80 -2.34 -2.81 -1.77 8.25 -0.19 -4.96 115.22 108.61 1c40 n HIS 97 Ca -0.24 0.88 -0.41 0.00 -0.26 0.00 0.00 57.72 57.69 1c40 n HIS 97 Cb 1.05 -4.66 -0.03 0.00 1.12 0.00 0.00 29.99 27.46 1c40 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1c40 s VAL 98 N -3.30 4.92 0.12 1.59 1.01 -0.65 -5.00 120.40 119.08 1c40 s VAL 98 Ca 0.32 1.87 -0.30 0.00 0.00 0.00 0.00 61.98 63.86 1c40 s VAL 98 Cb -0.14 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 1c40 s VAL 98 CO 0.65 0.17 1.21 -0.62 0.00 0.00 0.00 175.10 176.51 1c40 s ASP 99 N 0.96 7.07 0.58 3.32 -1.08 -1.26 -4.77 116.67 121.49 1c40 s ASP 99 Ca 0.47 2.14 0.33 0.00 -0.52 0.00 0.00 52.55 54.96 1c40 s ASP 99 Cb -0.20 -2.59 1.33 0.00 -1.46 0.00 0.00 42.92 40.00 1c40 s ASP 99 CO 0.24 -0.43 1.63 -0.65 0.52 0.00 0.00 175.17 176.48 1c40 h PRO 100 N 6.07 0.00 -0.17 4.34 0.11 -1.98 0.49 132.00 140.86 1c40 h PRO 100 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1c40 h PRO 100 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1c40 h PRO 100 CO 0.78 0.00 0.08 0.93 -0.21 0.00 0.00 178.00 179.58 1c40 h GLU 101 N 0.00 0.23 0.00 1.05 4.39 -2.01 -1.53 114.58 116.72 1c40 h GLU 101 Ca 0.48 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 60.10 1c40 h GLU 101 Cb 2.36 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.96 1c40 h GLU 101 CO -0.01 0.19 -0.29 -0.91 -1.16 0.00 0.00 179.01 176.84 1c40 h ASN 102 N 0.24 0.00 -0.46 1.42 2.35 -1.27 -1.95 115.58 115.91 1c40 h ASN 102 Ca 0.06 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 1c40 h ASN 102 Cb 0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1c40 h ASN 102 CO -0.01 0.29 -0.07 -0.26 -1.65 0.00 0.00 177.43 175.74 1c40 h PHE 103 N 0.00 1.00 -0.66 1.19 0.04 -1.43 -1.23 116.94 115.86 1c40 h PHE 103 Ca -0.00 -0.18 -0.08 0.00 2.80 0.00 0.00 57.97 60.51 1c40 h PHE 103 Cb 0.60 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 1c40 h PHE 103 CO 0.00 0.93 0.10 -0.09 -0.60 0.00 0.00 178.31 178.65 1c40 h ARG 104 N 0.83 1.10 -0.38 1.51 1.12 -1.31 -1.74 114.38 115.50 1c40 h ARG 104 Ca 0.14 -0.30 -0.15 0.00 -1.11 0.00 0.00 59.98 58.56 1c40 h ARG 104 Cb 0.59 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.41 1c40 h ARG 104 CO 0.04 1.01 -0.36 -0.07 -3.11 0.00 0.00 179.97 177.48 1c40 h LEU 105 N 1.02 0.95 -0.74 3.80 3.38 -0.96 -2.65 115.31 120.11 1c40 h LEU 105 Ca 0.20 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1c40 h LEU 105 Cb 0.45 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1c40 h LEU 105 CO 0.01 1.20 0.12 0.25 0.09 0.00 0.00 178.44 180.12 1c40 h LEU 106 N 0.74 1.03 -1.35 1.67 5.85 -1.11 -1.97 115.31 120.16 1c40 h LEU 106 Ca 0.07 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1c40 h LEU 106 Cb 0.94 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1c40 h LEU 106 CO 0.09 1.01 0.34 1.23 -0.34 0.00 0.00 178.44 180.76 1c40 h GLY 107 N 1.05 0.83 1.23 3.75 0.00 -1.18 -1.35 103.07 107.40 1c40 h GLY 107 Ca 0.20 -0.34 -0.20 0.00 0.00 0.00 0.00 47.33 46.99 1c40 h GLY 107 CO 0.01 0.33 -0.66 -0.55 0.00 0.00 0.00 176.54 175.67 1c40 h ASP 108 N 0.79 0.89 -0.73 0.19 3.32 -1.10 -1.89 116.42 117.89 1c40 h ASP 108 Ca 0.21 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 1c40 h ASP 108 Cb -0.02 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 1c40 h ASP 108 CO -0.04 1.32 0.44 0.40 -1.72 0.00 0.00 179.24 179.64 1c40 h ILE 109 N 0.57 1.21 -0.76 0.35 1.08 -0.99 -1.38 117.51 117.59 1c40 h ILE 109 Ca -0.02 -0.47 -0.01 0.00 -0.39 0.00 0.00 64.86 63.97 1c40 h ILE 109 Cb 1.27 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 1c40 h ILE 109 CO 0.14 0.22 0.42 0.25 -0.69 0.00 0.00 178.15 178.48 1c40 h LEU 110 N 1.00 0.95 0.19 1.44 7.12 -1.14 0.91 115.31 125.77 1c40 h LEU 110 Ca 0.26 -0.10 -0.01 0.00 0.13 0.00 0.00 57.88 58.17 1c40 h LEU 110 Cb -0.03 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 39.87 1c40 h LEU 110 CO -0.05 0.77 -0.09 0.40 -0.13 0.00 0.00 178.44 179.34 1c40 h ILE 111 N 1.05 0.82 0.00 4.05 1.08 -0.55 -1.09 117.51 122.87 1c40 h ILE 111 Ca 0.27 -0.04 -0.06 0.00 -0.39 0.00 0.00 64.86 64.64 1c40 h ILE 111 Cb 0.03 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 1c40 h ILE 111 CO -0.04 0.01 -0.27 0.16 -0.69 0.00 0.00 178.15 177.32 1c40 h ILE 112 N -0.27 1.03 -0.29 -0.67 -0.00 -0.96 -1.90 117.51 114.44 1c40 h ILE 112 Ca -0.03 -0.98 -0.12 0.00 -0.00 0.00 0.00 64.86 63.74 1c40 h ILE 112 Cb 0.21 1.55 -0.01 0.00 -0.00 0.00 0.00 36.82 38.57 1c40 h ILE 112 CO 0.04 0.26 -0.32 0.58 -0.00 0.00 0.00 178.15 178.71 1c40 h VAL 113 N 0.00 1.28 -0.05 0.16 2.07 -0.41 -2.35 116.25 116.96 1c40 h VAL 113 Ca -0.00 -1.44 -0.15 0.00 0.82 0.00 0.00 66.70 65.92 1c40 h VAL 113 Cb 0.53 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1c40 h VAL 113 CO 0.03 0.46 -0.66 -0.07 0.02 0.00 0.00 177.57 177.35 1c40 h LEU 114 N 0.52 0.23 -0.46 2.57 3.38 -0.72 -2.68 115.31 118.16 1c40 h LEU 114 Ca 0.06 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1c40 h LEU 114 Cb 0.81 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1c40 h LEU 114 CO 0.07 0.83 0.06 0.00 0.09 0.00 0.00 178.44 179.49 1c40 h ALA 115 N 1.17 0.61 0.00 1.53 0.00 -1.17 -0.06 119.26 121.33 1c40 h ALA 115 Ca -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1c40 h ALA 115 Cb 1.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1c40 h ALA 115 CO 0.10 0.34 -0.13 0.00 0.00 0.00 0.00 179.25 179.57 1c40 h ALA 116 N 0.94 1.07 0.00 0.00 0.00 -1.37 0.39 119.26 120.29 1c40 h ALA 116 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1c40 h ALA 116 Cb 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1c40 h ALA 116 CO 0.01 0.16 -1.16 1.58 0.00 0.00 0.00 179.25 179.84 1c40 n HIS 117 N -3.34 0.86 0.08 0.00 -0.00 -0.91 -4.38 115.22 107.53 1c40 n HIS 117 Ca -0.00 0.26 0.01 0.00 -0.00 0.00 0.00 57.72 57.99 1c40 n HIS 117 Cb 0.33 -0.92 -0.02 0.00 -0.00 0.00 0.00 29.99 29.38 1c40 n HIS 117 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1c40 n PHE 118 N -2.65 0.00 -3.76 1.57 3.01 -0.08 -5.08 117.46 110.46 1c40 n PHE 118 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1c40 n PHE 118 Cb 0.58 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1c40 n PHE 118 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1c40 n ALA 119 N -1.26 0.00 0.06 4.37 0.00 0.13 -2.28 120.51 121.54 1c40 n ALA 119 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 1c40 n ALA 119 Cb 0.05 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.10 1c40 n ALA 119 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1c40 h LYS 120 N 0.00 0.00 0.00 0.00 1.57 -1.99 0.51 116.57 116.66 1c40 h LYS 120 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1c40 h LYS 120 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1c40 h LYS 120 CO 0.00 0.00 -0.05 1.49 -0.57 0.00 0.00 179.45 180.32 1c40 h GLU 121 N 0.00 0.00 -4.68 3.15 4.81 -1.84 -3.23 114.58 112.79 1c40 h GLU 121 Ca 0.24 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.75 1c40 h GLU 121 Cb 1.65 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.91 1c40 h GLU 121 CO -0.00 0.05 1.99 0.34 -0.73 0.00 0.00 179.01 180.65 1c40 n PHE 122 N -3.56 4.25 -1.26 0.92 7.35 0.18 -4.95 117.46 120.39 1c40 n PHE 122 Ca -0.02 -3.04 -0.30 0.00 -0.76 0.00 0.00 57.45 53.33 1c40 n PHE 122 Cb 0.15 -2.31 0.13 0.00 0.35 0.00 0.00 39.48 37.80 1c40 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1c40 s THR 123 N 2.27 2.71 0.31 -2.13 -4.23 -1.22 -4.71 115.64 108.64 1c40 s THR 123 Ca 0.46 0.23 0.02 0.00 -1.18 0.00 0.00 61.69 61.22 1c40 s THR 123 Cb 0.04 -2.75 0.28 0.00 1.34 0.00 0.00 72.50 71.41 1c40 s THR 123 CO 0.01 -0.30 1.92 -0.65 -0.54 0.00 0.00 174.62 175.05 1c40 h PRO 124 N -1.48 0.94 -0.14 3.99 0.11 -1.94 0.18 132.00 133.66 1c40 h PRO 124 Ca -0.49 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.48 1c40 h PRO 124 Cb 1.28 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1c40 h PRO 124 CO 0.55 0.62 -0.27 -0.44 -0.21 0.00 0.00 178.00 178.26 1c40 h ASP 125 N 0.97 0.25 -0.11 -2.05 3.32 -1.99 -1.34 116.42 115.46 1c40 h ASP 125 Ca 0.38 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 1c40 h ASP 125 Cb 0.24 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1c40 h ASP 125 CO -0.14 0.52 -0.15 0.00 -1.72 0.00 0.00 179.24 177.75 1c40 h GLN 127 N -0.11 0.79 -0.88 0.00 4.15 -0.51 -2.15 115.11 116.40 1c40 h GLN 127 Ca 0.01 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.43 1c40 h GLN 127 Cb 0.70 -0.18 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 1c40 h GLN 127 CO 0.04 0.52 0.56 0.00 -1.93 0.00 0.00 178.83 178.01 1c40 h ALA 128 N 1.32 1.18 -0.48 3.38 0.00 -1.21 0.16 119.26 123.61 1c40 h ALA 128 Ca 0.29 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1c40 h ALA 128 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1c40 h ALA 128 CO -0.13 0.36 -0.07 0.00 0.00 0.00 0.00 179.25 179.40 1c40 h ALA 129 N 1.39 0.66 -0.16 0.00 0.00 -1.20 -2.19 119.26 117.75 1c40 h ALA 129 Ca 0.36 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1c40 h ALA 129 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1c40 h ALA 129 CO -0.14 0.53 -0.56 -1.49 0.00 0.00 0.00 179.25 177.59 1c40 h TRP 130 N 0.76 0.61 -0.55 0.00 4.06 -0.95 -1.34 115.95 118.53 1c40 h TRP 130 Ca 0.13 -0.22 0.00 0.00 2.06 0.00 0.00 58.89 60.86 1c40 h TRP 130 Cb 0.61 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.63 1c40 h TRP 130 CO 0.05 0.93 0.36 0.37 -3.56 0.00 0.00 178.44 176.59 1c40 h GLN 131 N 0.37 0.73 -0.37 0.49 5.75 -0.57 -0.06 115.11 121.45 1c40 h GLN 131 Ca 0.00 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1c40 h GLN 131 Cb 1.09 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.46 1c40 h GLN 131 CO 0.10 0.50 0.22 -0.22 -2.65 0.00 0.00 178.83 176.78 1c40 h LYS 132 N 0.75 0.51 -0.88 1.69 3.64 -1.20 -1.51 116.57 119.57 1c40 h LYS 132 Ca 0.20 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1c40 h LYS 132 Cb -0.07 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.60 1c40 h LYS 132 CO -0.04 0.39 0.57 1.25 -2.27 0.00 0.00 179.45 179.35 1c40 h LEU 133 N 0.48 0.96 -0.84 5.20 7.12 -0.69 -0.91 115.31 126.63 1c40 h LEU 133 Ca 0.13 -0.01 -0.11 0.00 0.13 0.00 0.00 57.88 58.01 1c40 h LEU 133 Cb 0.02 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 39.91 1c40 h LEU 133 CO -0.02 0.67 -0.38 0.58 -0.13 0.00 0.00 178.44 179.15 1c40 h VAL 134 N 1.13 1.30 -0.05 1.05 2.07 -0.77 -1.66 116.25 119.32 1c40 h VAL 134 Ca 0.34 -1.50 -0.17 0.00 0.82 0.00 0.00 66.70 66.19 1c40 h VAL 134 Cb -0.04 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1c40 h VAL 134 CO -0.10 0.46 -0.71 0.03 0.02 0.00 0.00 177.57 177.27 1c40 h ARG 135 N 0.33 0.26 -0.16 1.57 3.08 -0.73 -1.65 114.38 117.08 1c40 h ARG 135 Ca 0.03 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1c40 h ARG 135 Cb 0.83 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 1c40 h ARG 135 CO 0.07 0.86 -0.17 0.28 -1.07 0.00 0.00 179.97 179.94 1c40 h VAL 136 N 0.17 1.35 -0.66 2.04 2.07 -0.99 0.76 116.25 120.99 1c40 h VAL 136 Ca -0.02 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1c40 h VAL 136 Cb 1.27 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 1c40 h VAL 136 CO 0.11 0.40 0.33 0.58 0.02 0.00 0.00 177.57 179.01 1c40 h VAL 137 N 0.03 1.22 -0.54 2.57 2.07 -1.32 0.11 116.25 120.39 1c40 h VAL 137 Ca 0.02 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1c40 h VAL 137 Cb 0.71 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1c40 h VAL 137 CO 0.04 0.25 0.27 0.00 0.02 0.00 0.00 177.57 178.16 1c40 h ALA 138 N 1.15 0.70 -0.76 1.67 0.00 -1.20 -2.02 119.26 118.80 1c40 h ALA 138 Ca 0.23 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1c40 h ALA 138 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1c40 h ALA 138 CO -0.03 0.24 0.29 1.25 0.00 0.00 0.00 179.25 181.01 1c40 h HIS 139 N 0.73 1.17 0.00 0.00 6.17 -0.28 -0.91 115.15 122.02 1c40 h HIS 139 Ca 0.19 -0.09 -0.03 0.00 0.71 0.00 0.00 60.37 61.15 1c40 h HIS 139 Cb 0.09 -0.35 -0.00 0.00 2.52 0.00 0.00 27.41 29.67 1c40 h HIS 139 CO -0.01 0.89 -0.13 0.00 0.71 0.00 0.00 177.93 179.40 1c40 h ALA 140 N 1.15 1.22 0.09 5.26 0.00 -0.47 -2.56 119.26 123.95 1c40 h ALA 140 Ca 0.25 -0.12 -0.29 0.00 0.00 0.00 0.00 54.91 54.75 1c40 h ALA 140 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1c40 h ALA 140 CO -0.02 0.16 -1.48 -0.07 0.00 0.00 0.00 179.25 177.84 1c40 h LEU 141 N 0.00 0.29 -5.28 0.00 3.38 -0.74 -3.36 115.31 109.61 1c40 h LEU 141 Ca -0.00 -0.41 -0.67 0.00 0.09 0.00 0.00 57.88 56.89 1c40 h LEU 141 Cb 0.40 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1c40 h LEU 141 CO 0.02 1.34 2.47 0.00 0.09 0.00 0.00 178.44 182.36 1c40 n ALA 142 N -2.61 6.97 -0.08 1.53 0.00 -0.40 -4.31 120.51 121.60 1c40 n ALA 142 Ca -0.14 -3.72 -0.16 0.00 0.00 0.00 0.00 53.44 49.42 1c40 n ALA 142 Cb 1.03 -2.85 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 1c40 n ALA 142 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1c40 n ARG 143 N 2.18 0.37 0.14 0.00 0.63 -1.24 -4.13 116.66 114.61 1c40 n ARG 143 Ca 0.65 0.13 0.02 0.00 -0.92 0.00 0.00 57.85 57.73 1c40 n ARG 143 Cb 0.31 -1.18 0.09 0.00 0.45 0.00 0.00 32.46 32.12 1c40 n ARG 143 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1c40 n LYS 144 N -3.47 0.03 -0.01 -0.14 4.01 -1.26 -1.14 118.16 116.17 1c40 n LYS 144 Ca -0.32 0.43 -0.02 0.00 -0.51 0.00 0.00 58.31 57.90 1c40 n LYS 144 Cb 0.76 -2.18 -0.01 0.00 -0.51 0.00 0.00 35.03 33.10 1c40 n LYS 144 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1c40 n TYR 145 N -1.71 0.00 -0.36 2.13 4.02 -1.26 -5.09 117.16 114.89 1c40 n TYR 145 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1c40 n TYR 145 Cb 0.59 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 1c40 n TYR 145 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43