#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfl s HIS 2 N 0.00 2.74 0.10 6.34 5.65 -1.26 -4.65 115.29 124.20 1lfl s HIS 2 Ca 0.00 -1.33 0.09 0.00 0.25 0.00 0.00 55.06 54.07 1lfl s HIS 2 Cb 0.00 -1.88 -0.03 0.00 -1.18 0.00 0.00 32.58 29.49 1lfl s HIS 2 CO 0.00 -0.63 -0.24 -0.51 -0.65 0.00 0.00 174.74 172.71 1lfl s LEU 3 N 0.98 2.27 0.71 8.88 1.02 -1.26 -5.11 118.68 126.16 1lfl s LEU 3 Ca -0.03 -0.67 -0.12 0.00 0.02 0.00 0.00 54.13 53.33 1lfl s LEU 3 Cb -0.15 -1.10 0.02 0.00 0.02 0.00 0.00 46.19 44.98 1lfl s LEU 3 CO -0.04 0.16 1.07 0.42 0.02 0.00 0.00 176.35 177.97 1lfl s THR 4 N -1.01 3.72 0.15 5.49 -4.23 -1.26 -4.78 115.64 113.72 1lfl s THR 4 Ca 0.11 0.60 -0.28 0.00 -1.18 0.00 0.00 61.69 60.94 1lfl s THR 4 Cb -0.10 -3.22 -0.01 0.00 1.34 0.00 0.00 72.50 70.52 1lfl s THR 4 CO 0.04 -0.68 1.57 -0.65 -0.54 0.00 0.00 174.62 174.36 1lfl h PRO 5 N -0.66 -0.30 -0.99 3.99 0.11 -2.00 -0.10 132.00 132.05 1lfl h PRO 5 Ca -0.44 0.02 0.27 0.00 0.11 0.00 0.00 66.00 65.96 1lfl h PRO 5 Cb 1.22 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 1lfl h PRO 5 CO 0.55 -0.20 0.69 0.93 -0.21 0.00 0.00 178.00 179.76 1lfl h GLU 6 N -0.31 0.12 -0.01 1.05 4.39 -1.98 -1.11 114.58 116.73 1lfl h GLU 6 Ca 0.14 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 1lfl h GLU 6 Cb 0.58 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1lfl h GLU 6 CO -0.61 0.08 -0.13 0.93 -1.16 0.00 0.00 179.01 178.12 1lfl h GLU 7 N 0.12 0.10 -0.04 2.33 5.08 -1.38 -2.56 114.58 118.23 1lfl h GLU 7 Ca 0.49 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1lfl h GLU 7 Cb 1.74 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.01 1lfl h GLU 7 CO -0.08 0.83 0.00 -0.22 -1.00 0.00 0.00 179.01 178.54 1lfl h LYS 8 N -0.59 0.05 0.00 2.33 3.64 -0.62 0.41 116.57 121.79 1lfl h LYS 8 Ca -0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1lfl h LYS 8 Cb 0.86 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1lfl h LYS 8 CO 0.03 0.06 0.00 -1.13 -2.27 0.00 0.00 179.45 176.13 1lfl n SER 9 N -4.51 0.45 -0.01 4.20 3.41 -0.62 -2.02 113.62 114.52 1lfl n SER 9 Ca -0.02 0.54 -0.14 0.00 -0.26 0.00 0.00 58.87 58.99 1lfl n SER 9 Cb 0.11 -0.66 -0.14 0.00 -0.26 0.00 0.00 64.21 63.25 1lfl n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lfl n ALA 10 N -1.66 1.25 -0.01 7.33 0.00 0.13 -3.38 120.51 124.17 1lfl n ALA 10 Ca 0.06 -0.71 -0.18 0.00 0.00 0.00 0.00 53.44 52.61 1lfl n ALA 10 Cb 0.39 -0.76 -0.07 0.00 0.00 0.00 0.00 19.45 19.01 1lfl n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1lfl h VAL 11 N 0.03 1.28 -0.04 0.00 2.07 -0.91 -2.96 116.25 115.71 1lfl h VAL 11 Ca -0.35 -2.01 -0.23 0.00 0.82 0.00 0.00 66.70 64.92 1lfl h VAL 11 Cb 2.03 2.04 0.01 0.00 -1.52 0.00 0.00 31.29 33.84 1lfl h VAL 11 CO 0.08 0.64 -0.91 0.71 0.02 0.00 0.00 177.57 178.11 1lfl h THR 12 N 0.52 1.34 -0.55 2.57 1.35 -1.59 -2.71 112.91 113.84 1lfl h THR 12 Ca -0.06 -2.25 -0.07 0.00 -0.55 0.00 0.00 66.41 63.48 1lfl h THR 12 Cb 1.45 2.27 -0.02 0.00 -1.73 0.00 0.00 68.15 70.13 1lfl h THR 12 CO 0.17 0.69 0.08 0.00 -0.25 0.00 0.00 175.52 176.20 1lfl h ALA 13 N 0.63 0.73 0.00 6.62 0.00 -1.65 -2.16 119.26 123.43 1lfl h ALA 13 Ca -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1lfl h ALA 13 Cb 1.54 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1lfl h ALA 13 CO 0.17 0.48 -0.05 1.25 0.00 0.00 0.00 179.25 181.10 1lfl h LEU 14 N 0.80 0.00 0.00 0.00 7.12 -1.59 -3.18 115.31 118.46 1lfl h LEU 14 Ca 0.16 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.17 1lfl h LEU 14 Cb 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 1lfl h LEU 14 CO 0.01 0.05 -0.72 -0.25 -0.13 0.00 0.00 178.44 177.40 1lfl h TRP 15 N 0.00 0.00 -0.07 1.25 2.91 -1.23 -3.33 115.95 115.48 1lfl h TRP 15 Ca -0.00 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 59.92 1lfl h TRP 15 Cb 0.85 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.49 1lfl h TRP 15 CO 0.00 0.00 -0.42 0.78 -1.03 0.00 0.00 178.44 177.77 1lfl h GLY 16 N 4.06 0.18 -3.87 2.65 0.00 -1.37 -2.90 103.07 101.82 1lfl h GLY 16 Ca 0.00 -0.17 -0.53 0.00 0.00 0.00 0.00 47.33 46.63 1lfl h GLY 16 CO 0.00 0.15 0.64 0.58 0.00 0.00 0.00 176.54 177.91 1lfl n LYS 17 N -4.02 2.33 -3.73 4.80 2.85 -1.25 -4.91 118.16 114.22 1lfl n LYS 17 Ca -0.02 -3.09 -0.37 0.00 -1.05 0.00 0.00 58.31 53.78 1lfl n LYS 17 Cb 0.47 -2.18 -0.12 0.00 -0.65 0.00 0.00 35.03 32.55 1lfl n LYS 17 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1lfl s VAL 18 N -3.63 4.21 -0.13 0.58 1.01 -1.10 -5.05 120.40 116.30 1lfl s VAL 18 Ca 0.58 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1lfl s VAL 18 Cb 0.48 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1lfl s VAL 18 CO 0.08 0.15 1.80 0.21 0.00 0.00 0.00 175.10 177.34 1lfl s ASN 19 N 1.56 6.31 0.28 3.32 3.84 -1.26 -4.85 114.94 124.14 1lfl s ASN 19 Ca 0.04 2.04 0.00 0.00 0.21 0.00 0.00 52.86 55.15 1lfl s ASN 19 Cb -0.17 -2.53 0.42 0.00 -0.55 0.00 0.00 41.25 38.43 1lfl s ASN 19 CO 0.04 -1.25 1.79 -0.37 -2.79 0.00 0.00 177.10 174.51 1lfl h VAL 20 N 6.07 1.23 -0.20 -5.21 -1.51 -1.96 -2.32 116.25 112.35 1lfl h VAL 20 Ca -0.40 -0.96 -0.18 0.00 -1.23 0.00 0.00 66.70 63.93 1lfl h VAL 20 Cb 1.19 0.94 -0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1lfl h VAL 20 CO 0.97 0.33 -0.60 0.44 -1.23 0.00 0.00 177.57 177.48 1lfl h ASP 21 N 0.64 0.76 0.03 4.19 5.19 -1.92 -3.12 116.42 122.19 1lfl h ASP 21 Ca 0.13 -0.43 -0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1lfl h ASP 21 Cb 0.43 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1lfl h ASP 21 CO 0.02 1.19 -0.01 -0.33 -3.12 0.00 0.00 179.24 176.98 1lfl h GLU 22 N 0.50 -0.04 -0.42 3.56 4.39 -1.94 -3.29 114.58 117.34 1lfl h GLU 22 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1lfl h GLU 22 Cb 1.18 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 1lfl h GLU 22 CO 0.12 0.34 0.26 0.28 -1.16 0.00 0.00 179.01 178.86 1lfl h VAL 23 N -0.99 1.13 -0.20 3.13 2.07 -1.59 -1.35 116.25 118.45 1lfl h VAL 23 Ca -0.00 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1lfl h VAL 23 Cb 0.40 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 1lfl h VAL 23 CO 0.01 0.13 -0.34 1.23 0.02 0.00 0.00 177.57 178.61 1lfl h GLY 24 N 0.57 -0.44 1.01 2.17 0.00 -1.73 0.39 103.07 105.03 1lfl h GLY 24 Ca 0.15 0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.88 1lfl h GLY 24 CO -0.03 -0.22 0.32 -1.33 0.00 0.00 0.00 176.54 175.28 1lfl h GLY 25 N -0.38 1.07 0.82 4.60 0.00 -1.59 -1.26 103.07 106.34 1lfl h GLY 25 Ca 0.11 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1lfl h GLY 25 CO -0.41 0.51 0.01 -2.09 0.00 0.00 0.00 176.54 174.56 1lfl h GLU 26 N 0.96 0.05 -0.09 4.80 4.81 -0.68 -1.47 114.58 122.95 1lfl h GLU 26 Ca 0.23 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1lfl h GLU 26 Cb 0.14 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 1lfl h GLU 26 CO -0.03 0.21 -0.28 0.00 -0.73 0.00 0.00 179.01 178.19 1lfl h ALA 27 N 0.83 -0.33 -0.75 2.92 0.00 -0.06 -1.17 119.26 120.70 1lfl h ALA 27 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1lfl h ALA 27 Cb 0.19 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1lfl h ALA 27 CO -0.00 -0.76 0.37 1.25 0.00 0.00 0.00 179.25 180.10 1lfl h LEU 28 N -0.38 0.96 0.76 0.00 5.85 -1.22 -2.74 115.31 118.54 1lfl h LEU 28 Ca 0.09 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1lfl h LEU 28 Cb 0.51 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.30 1lfl h LEU 28 CO -0.30 0.80 -0.37 1.23 -0.34 0.00 0.00 178.44 179.47 1lfl h GLY 29 N 1.10 -1.07 0.06 3.75 0.00 -0.79 -2.59 103.07 103.53 1lfl h GLY 29 Ca 0.26 0.40 0.26 0.00 0.00 0.00 0.00 47.33 48.24 1lfl h GLY 29 CO -0.03 -0.39 0.72 3.21 0.00 0.00 0.00 176.54 180.05 1lfl h ARG 30 N -1.16 0.00 0.59 4.80 3.08 -1.18 -0.11 114.38 120.39 1lfl h ARG 30 Ca -0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1lfl h ARG 30 Cb 0.80 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.86 1lfl h ARG 30 CO 0.17 0.00 -0.28 1.25 -1.07 0.00 0.00 179.97 180.04 1lfl h LEU 31 N 0.00 -0.67 -1.49 3.04 5.85 -1.16 0.28 115.31 121.17 1lfl h LEU 31 Ca 0.42 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.17 1lfl h LEU 31 Cb 1.86 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 43.02 1lfl h LEU 31 CO -0.00 -0.34 0.43 -0.07 -0.34 0.00 0.00 178.44 178.11 1lfl h LEU 32 N -1.00 0.54 0.16 2.25 4.07 -0.81 0.34 115.31 120.87 1lfl h LEU 32 Ca -0.08 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1lfl h LEU 32 Cb 0.66 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1lfl h LEU 32 CO 0.13 0.35 -0.08 0.58 -1.08 0.00 0.00 178.44 178.35 1lfl h VAL 33 N 0.62 0.00 -0.32 1.22 2.07 -1.20 -3.05 116.25 115.58 1lfl h VAL 33 Ca 0.28 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1lfl h VAL 33 Cb 0.31 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1lfl h VAL 33 CO -0.09 0.00 0.02 0.58 0.02 0.00 0.00 177.57 178.10 1lfl h VAL 34 N -0.82 1.18 -2.21 2.57 2.07 -0.95 -3.29 116.25 114.80 1lfl h VAL 34 Ca -0.02 -0.70 -0.59 0.00 0.82 0.00 0.00 66.70 66.21 1lfl h VAL 34 Cb 0.16 0.92 -0.42 0.00 -1.52 0.00 0.00 31.29 30.44 1lfl h VAL 34 CO 0.04 0.24 -0.67 -1.22 0.02 0.00 0.00 177.57 175.98 1lfl n TYR 35 N -4.31 3.43 -0.19 1.57 4.01 0.12 -4.99 117.16 116.79 1lfl n TYR 35 Ca 0.01 -4.04 0.01 0.00 -0.16 0.00 0.00 57.90 53.72 1lfl n TYR 35 Cb 0.22 -0.51 0.04 0.00 -0.31 0.00 0.00 39.34 38.78 1lfl n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1lfl n PRO 36 N 0.41 -0.09 0.28 -0.72 -0.02 -1.15 -1.18 135.00 132.52 1lfl n PRO 36 Ca 0.30 0.80 0.15 0.00 -2.02 0.00 0.00 63.50 62.73 1lfl n PRO 36 Cb 0.42 -1.19 0.81 0.00 -0.02 0.00 0.00 33.50 33.52 1lfl n PRO 36 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1lfl h TRP 37 N 0.00 0.00 0.00 6.00 0.09 -1.92 0.65 115.95 120.77 1lfl h TRP 37 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.19 1lfl h TRP 37 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.58 1lfl h TRP 37 CO -0.43 0.00 0.00 1.79 0.09 0.00 0.00 178.44 179.89 1lfl h THR 38 N 0.00 0.00 -0.02 0.12 1.35 -1.47 -2.95 112.91 109.94 1lfl h THR 38 Ca 0.00 -0.49 0.01 0.00 -0.55 0.00 0.00 66.41 65.38 1lfl h THR 38 Cb 0.37 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1lfl h THR 38 CO 0.00 0.00 0.05 1.56 -0.25 0.00 0.00 175.52 176.88 1lfl h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.05 -1.65 115.11 121.33 1lfl h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1lfl h GLN 39 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1lfl h GLN 39 CO 0.00 0.00 0.00 0.07 -0.67 0.00 0.00 178.83 178.23 1lfl h ARG 40 N 0.00 0.00 -0.01 1.46 0.11 -1.72 -1.01 114.38 113.21 1lfl h ARG 40 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1lfl h ARG 40 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 1lfl h ARG 40 CO -0.00 0.00 -0.41 1.19 0.10 0.00 0.00 179.97 180.85 1lfl n PHE 41 N -2.63 0.00 -2.35 4.08 3.01 -0.62 -4.38 117.46 114.56 1lfl n PHE 41 Ca -0.02 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.43 1lfl n PHE 41 Cb 0.07 -0.13 0.06 0.00 -0.01 0.00 0.00 39.48 39.48 1lfl n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1lfl n PHE 42 N -0.83 0.85 -0.14 1.38 3.01 -0.39 -4.86 117.46 116.48 1lfl n PHE 42 Ca 0.10 -1.48 0.08 0.00 1.01 0.00 0.00 57.45 57.16 1lfl n PHE 42 Cb 0.36 -0.23 0.41 0.00 -0.01 0.00 0.00 39.48 40.01 1lfl n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1lfl h GLU 43 N 1.69 0.61 -0.11 -1.08 4.39 -1.75 -1.58 114.58 116.75 1lfl h GLU 43 Ca -0.06 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1lfl h GLU 43 Cb 1.48 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 1lfl h GLU 43 CO 0.22 0.40 -0.05 0.66 -1.16 0.00 0.00 179.01 179.07 1lfl h SER 44 N 0.62 0.15 0.00 1.42 4.64 -1.92 -2.49 113.55 115.97 1lfl h SER 44 Ca 0.30 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1lfl h SER 44 Cb 0.36 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1lfl h SER 44 CO -0.10 0.23 0.17 -0.26 -0.87 0.00 0.00 176.83 176.01 1lfl h PHE 45 N 0.16 0.00 0.00 4.77 0.05 -1.67 -3.47 116.94 116.78 1lfl h PHE 45 Ca 0.04 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.83 1lfl h PHE 45 Cb 0.21 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.16 1lfl h PHE 45 CO 0.00 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.54 1lfl n GLY 46 N -1.25 -0.20 3.63 -1.45 0.00 -0.94 -4.79 105.19 100.19 1lfl n GLY 46 Ca -0.02 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 1lfl n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lfl s ASP 47 N -4.00 6.23 -0.08 1.61 3.68 -1.26 -4.80 116.67 118.05 1lfl s ASP 47 Ca 0.00 2.02 0.12 0.00 2.13 0.00 0.00 52.55 56.82 1lfl s ASP 47 Cb 0.00 -2.53 0.21 0.00 -1.45 0.00 0.00 42.92 39.15 1lfl s ASP 47 CO 0.00 -1.32 1.10 0.18 0.13 0.00 0.00 175.17 175.26 1lfl n LEU 48 N 8.77 1.36 0.00 -1.34 4.77 -1.26 -4.46 117.00 124.84 1lfl n LEU 48 Ca 0.21 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 1lfl n LEU 48 Cb 0.44 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1lfl n LEU 48 CO 0.66 0.59 0.16 -1.54 -1.33 0.00 0.00 177.39 175.93 1lfl n SER 49 N -0.65 0.00 -4.81 -1.43 3.41 -1.26 -4.73 113.62 104.15 1lfl n SER 49 Ca 0.09 0.31 -0.33 0.00 -0.26 0.00 0.00 58.87 58.68 1lfl n SER 49 Cb 0.72 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.65 1lfl n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1lfl s THR 50 N -0.63 3.97 0.29 6.66 -4.23 -1.26 -4.88 115.64 115.56 1lfl s THR 50 Ca 0.00 1.11 0.04 0.00 -1.18 0.00 0.00 61.69 61.66 1lfl s THR 50 Cb 0.00 -3.49 0.29 0.00 1.34 0.00 0.00 72.50 70.64 1lfl s THR 50 CO 0.00 -0.38 1.74 -0.65 -0.54 0.00 0.00 174.62 174.79 1lfl h PRO 51 N 1.22 0.56 -0.14 3.99 0.11 -1.99 0.18 132.00 135.93 1lfl h PRO 51 Ca -0.48 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 1lfl h PRO 51 Cb 1.21 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1lfl h PRO 51 CO 0.59 0.37 -0.46 -0.44 -0.21 0.00 0.00 178.00 177.86 1lfl h ASP 52 N 0.58 0.37 0.52 -2.05 3.32 -1.98 -0.86 116.42 116.32 1lfl h ASP 52 Ca 0.56 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 57.33 1lfl h ASP 52 Cb 0.97 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 1lfl h ASP 52 CO -0.44 0.78 -0.52 0.00 -1.72 0.00 0.00 179.24 177.34 1lfl h ALA 53 N 1.24 1.14 0.00 3.45 0.00 -1.05 -2.60 119.26 121.44 1lfl h ALA 53 Ca 0.02 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1lfl h ALA 53 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1lfl h ALA 53 CO 0.08 0.65 -0.28 0.28 0.00 0.00 0.00 179.25 179.98 1lfl h VAL 54 N 0.00 1.42 0.00 0.00 2.07 -0.97 -2.47 116.25 116.31 1lfl h VAL 54 Ca -0.01 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.34 1lfl h VAL 54 Cb 0.92 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1lfl h VAL 54 CO 0.07 0.48 0.00 0.24 0.02 0.00 0.00 177.57 178.38 1lfl h MET 55 N -1.00 0.00 0.00 1.57 2.07 -1.25 -3.04 114.93 113.28 1lfl h MET 55 Ca -0.07 0.00 -0.20 0.00 -2.07 0.00 0.00 59.70 57.36 1lfl h MET 55 Cb 0.97 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.66 1lfl h MET 55 CO -0.04 0.00 -2.11 0.41 1.07 0.00 0.00 176.91 176.24 1lfl n GLY 56 N -0.79 -1.03 3.67 8.32 0.00 -0.98 -4.91 105.19 109.48 1lfl n GLY 56 Ca -0.02 -0.38 -0.46 0.00 0.00 0.00 0.00 46.02 45.16 1lfl n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lfl n ASN 57 N -2.58 3.74 0.27 1.61 2.85 -0.93 -4.89 115.26 115.33 1lfl n ASN 57 Ca -0.19 0.94 0.13 0.00 -0.11 0.00 0.00 54.58 55.35 1lfl n ASN 57 Cb 0.89 -1.43 0.76 0.00 1.24 0.00 0.00 39.78 41.23 1lfl n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1lfl h PRO 58 N 9.83 0.00 -0.39 1.20 0.13 -1.91 -2.27 132.00 138.59 1lfl h PRO 58 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1lfl h PRO 58 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1lfl h PRO 58 CO 0.95 0.10 -0.12 0.87 -0.23 0.00 0.00 178.00 179.56 1lfl h LYS 59 N 0.00 0.77 0.60 0.86 6.56 -1.90 0.44 116.57 123.90 1lfl h LYS 59 Ca -0.00 -0.31 -0.03 0.00 -1.06 0.00 0.00 60.65 59.26 1lfl h LYS 59 Cb 0.26 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 31.88 1lfl h LYS 59 CO 0.01 0.92 -0.34 0.28 -2.06 0.00 0.00 179.45 178.26 1lfl h VAL 60 N 0.58 0.31 -0.29 0.50 2.07 -1.78 1.08 116.25 118.72 1lfl h VAL 60 Ca 0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.68 1lfl h VAL 60 Cb 0.65 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 1lfl h VAL 60 CO 0.04 0.00 -0.16 0.11 0.02 0.00 0.00 177.57 177.59 1lfl h LYS 61 N -0.87 -0.12 -0.21 1.57 1.57 -1.33 0.20 116.57 117.37 1lfl h LYS 61 Ca -0.08 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1lfl h LYS 61 Cb 0.69 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1lfl h LYS 61 CO 0.10 -0.08 0.10 0.00 -0.57 0.00 0.00 179.45 179.00 1lfl h ALA 62 N 1.09 0.28 0.17 3.86 0.00 0.17 -2.85 119.26 121.98 1lfl h ALA 62 Ca 0.15 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1lfl h ALA 62 Cb 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1lfl h ALA 62 CO -0.37 -0.16 -0.20 1.25 0.00 0.00 0.00 179.25 179.78 1lfl h HIS 63 N 0.21 -0.51 -0.99 0.00 -0.00 0.18 -1.63 115.15 112.41 1lfl h HIS 63 Ca 0.07 0.00 0.29 0.00 -0.00 0.00 0.00 60.37 60.73 1lfl h HIS 63 Cb 0.12 0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.70 1lfl h HIS 63 CO -0.02 -0.29 0.77 0.78 -0.00 0.00 0.00 177.93 179.17 1lfl h GLY 64 N -0.41 0.00 1.22 5.26 0.00 -0.53 0.39 103.07 109.00 1lfl h GLY 64 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 1lfl h GLY 64 CO -0.06 0.00 -0.12 1.70 0.00 0.00 0.00 176.54 178.06 1lfl h LYS 65 N 0.00 0.92 -0.18 4.80 3.64 -1.06 -2.45 116.57 122.25 1lfl h LYS 65 Ca 0.47 -0.33 -0.18 0.00 -1.27 0.00 0.00 60.65 59.34 1lfl h LYS 65 Cb 2.01 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.76 1lfl h LYS 65 CO -0.00 0.98 -0.62 0.87 -2.27 0.00 0.00 179.45 178.41 1lfl h LYS 66 N 0.82 0.62 -0.35 1.90 1.57 -0.19 -2.62 116.57 118.32 1lfl h LYS 66 Ca 0.13 -0.43 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1lfl h LYS 66 Cb 0.65 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1lfl h LYS 66 CO 0.05 1.05 0.22 0.28 -0.57 0.00 0.00 179.45 180.48 1lfl h VAL 67 N 0.46 1.07 0.00 0.50 2.07 -1.23 -2.11 116.25 117.01 1lfl h VAL 67 Ca -0.01 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1lfl h VAL 67 Cb 1.19 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1lfl h VAL 67 CO 0.12 0.08 0.00 -0.07 0.02 0.00 0.00 177.57 177.72 1lfl h LEU 68 N 0.46 0.00 -0.22 2.57 3.38 -1.47 -2.45 115.31 117.57 1lfl h LEU 68 Ca 0.13 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 1lfl h LEU 68 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1lfl h LEU 68 CO -0.04 0.00 -0.40 1.23 0.09 0.00 0.00 178.44 179.32 1lfl h GLY 69 N 3.36 0.72 1.01 0.83 0.00 -1.07 -0.88 103.07 107.05 1lfl h GLY 69 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1lfl h GLY 69 CO 0.00 0.75 0.51 0.00 0.00 0.00 0.00 176.54 177.81 1lfl h ALA 70 N 0.62 1.04 -0.77 3.60 0.00 -1.22 -0.61 119.26 121.92 1lfl h ALA 70 Ca 0.01 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1lfl h ALA 70 Cb 1.00 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1lfl h ALA 70 CO 0.09 0.48 0.50 0.35 0.00 0.00 0.00 179.25 180.67 1lfl h PHE 71 N 1.11 0.85 -0.56 0.00 3.57 -1.14 -0.32 116.94 120.46 1lfl h PHE 71 Ca 0.30 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.73 1lfl h PHE 71 Cb -0.08 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.36 1lfl h PHE 71 CO -0.01 0.46 -0.01 0.77 -2.23 0.00 0.00 178.31 177.29 1lfl h SER 72 N 0.85 0.94 0.20 0.41 0.02 0.32 -1.91 113.55 114.38 1lfl h SER 72 Ca 0.33 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1lfl h SER 72 Cb 0.19 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1lfl h SER 72 CO -0.11 1.00 -0.17 0.44 -1.14 0.00 0.00 176.83 176.86 1lfl h ASP 73 N 0.89 -0.44 -0.46 3.07 5.19 -0.39 -2.55 116.42 121.73 1lfl h ASP 73 Ca 0.16 0.03 0.13 0.00 -0.62 0.00 0.00 57.03 56.73 1lfl h ASP 73 Cb 0.53 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 1lfl h ASP 73 CO 0.03 -0.23 0.36 1.23 -3.12 0.00 0.00 179.24 177.51 1lfl h GLY 74 N -0.36 0.00 2.00 2.75 0.00 -1.47 0.34 103.07 106.33 1lfl h GLY 74 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1lfl h GLY 74 CO -0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 1lfl n LEU 75 N -4.21 0.44 -0.60 3.11 7.94 -0.72 -0.62 117.00 122.35 1lfl n LEU 75 Ca 0.08 0.64 0.06 0.00 -1.11 0.00 0.00 56.01 55.68 1lfl n LEU 75 Cb 0.56 -0.62 0.17 0.00 0.53 0.00 0.00 43.42 44.06 1lfl n LEU 75 CO 0.34 -0.59 0.63 0.00 -1.11 0.00 0.00 177.39 176.66 1lfl n ALA 76 N -1.69 2.41 -2.74 1.96 0.00 0.12 -4.46 120.51 116.10 1lfl n ALA 76 Ca 0.01 -1.58 -0.00 0.00 0.00 0.00 0.00 53.44 51.87 1lfl n ALA 76 Cb 0.14 -0.46 0.06 0.00 0.00 0.00 0.00 19.45 19.19 1lfl n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfl n HIS 77 N -0.06 0.35 0.30 0.00 8.25 0.21 -4.91 115.22 119.36 1lfl n HIS 77 Ca 0.13 -1.81 0.19 0.00 -0.26 0.00 0.00 57.72 55.97 1lfl n HIS 77 Cb 0.56 0.20 1.02 0.00 1.12 0.00 0.00 29.99 32.89 1lfl n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1lfl h LEU 78 N 1.99 0.00 -0.40 2.41 4.07 -1.62 0.25 115.31 122.00 1lfl h LEU 78 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1lfl h LEU 78 Cb 1.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1lfl h LEU 78 CO 0.07 0.00 -0.10 -0.90 -1.08 0.00 0.00 178.44 176.43 1lfl n ASP 79 N -3.33 0.73 -2.76 -0.43 5.68 -1.26 -2.13 116.55 113.03 1lfl n ASP 79 Ca -0.02 -0.87 -0.09 0.00 -0.50 0.00 0.00 54.79 53.31 1lfl n ASP 79 Cb 0.18 -0.01 0.06 0.00 -1.14 0.00 0.00 41.12 40.21 1lfl n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1lfl n ASN 80 N -0.67 -2.62 -0.03 -1.12 4.05 0.85 -4.91 115.26 110.80 1lfl n ASN 80 Ca 0.16 -3.39 -0.16 0.00 0.45 0.00 0.00 54.58 51.64 1lfl n ASN 80 Cb 0.29 1.76 -0.12 0.00 1.23 0.00 0.00 39.78 42.93 1lfl n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1lfl h LEU 81 N 3.73 0.19 -1.78 1.20 3.38 -1.67 -2.54 115.31 117.81 1lfl h LEU 81 Ca -0.13 -0.87 0.07 0.00 0.09 0.00 0.00 57.88 57.04 1lfl h LEU 81 Cb 1.04 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1lfl h LEU 81 CO 0.28 1.03 0.27 0.11 0.09 0.00 0.00 178.44 180.23 1lfl h LYS 82 N -0.63 0.26 -0.09 1.13 1.57 -1.90 -0.62 116.57 116.28 1lfl h LYS 82 Ca -0.04 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1lfl h LYS 82 Cb 1.09 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 1lfl h LYS 82 CO 0.05 0.17 -0.15 0.78 -0.57 0.00 0.00 179.45 179.73 1lfl h GLY 83 N 0.26 0.29 1.87 3.86 0.00 -1.94 -1.44 103.07 105.97 1lfl h GLY 83 Ca 0.18 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 1lfl h GLY 83 CO -0.04 0.29 -0.36 -0.84 0.00 0.00 0.00 176.54 175.60 1lfl h THR 84 N -0.18 1.28 -0.07 4.70 2.02 -0.87 -3.17 112.91 116.61 1lfl h THR 84 Ca 0.01 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 65.85 1lfl h THR 84 Cb 0.71 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1lfl h THR 84 CO 0.03 0.39 0.00 0.49 0.37 0.00 0.00 175.52 176.81 1lfl n PHE 85 N -4.08 0.05 -0.30 3.16 3.01 -0.33 -4.51 117.46 114.47 1lfl n PHE 85 Ca -0.01 -0.03 0.13 0.00 1.01 0.00 0.00 57.45 58.54 1lfl n PHE 85 Cb 0.42 -0.00 0.30 0.00 -0.01 0.00 0.00 39.48 40.19 1lfl n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lfl h ALA 86 N 4.16 1.37 0.10 4.37 0.00 -1.23 0.84 119.26 128.87 1lfl h ALA 86 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1lfl h ALA 86 Cb 0.89 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1lfl h ALA 86 CO 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 179.25 178.83 1lfl h THR 87 N 0.35 1.11 -0.02 0.00 1.03 -1.82 -2.35 112.91 111.22 1lfl h THR 87 Ca 0.55 -0.84 -0.00 0.00 -0.01 0.00 0.00 66.41 66.11 1lfl h THR 87 Cb 1.05 1.63 -0.00 0.00 -1.07 0.00 0.00 68.15 69.76 1lfl h THR 87 CO -0.55 0.20 0.00 -0.07 -0.01 0.00 0.00 175.52 175.09 1lfl h LEU 88 N -0.52 0.02 0.54 0.00 3.38 -1.49 -2.20 115.31 115.04 1lfl h LEU 88 Ca -0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1lfl h LEU 88 Cb 0.43 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1lfl h LEU 88 CO 0.02 0.02 -0.26 -1.28 0.09 0.00 0.00 178.44 177.03 1lfl h SER 89 N 0.02 -0.62 -0.43 -0.43 0.87 0.81 -2.41 113.55 111.36 1lfl h SER 89 Ca 0.01 -0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.61 1lfl h SER 89 Cb 0.01 0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 62.04 1lfl h SER 89 CO -0.00 -0.32 -0.20 -0.33 -0.53 0.00 0.00 176.83 175.46 1lfl h GLU 90 N -0.91 -0.10 -0.03 2.24 5.08 -0.94 -2.54 114.58 117.38 1lfl h GLU 90 Ca -0.07 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1lfl h GLU 90 Cb 0.62 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 1lfl h GLU 90 CO 0.12 -0.07 -0.28 1.25 -1.00 0.00 0.00 179.01 179.04 1lfl h LEU 91 N -0.11 -0.83 -1.40 1.33 5.85 -1.39 0.13 115.31 118.89 1lfl h LEU 91 Ca 0.21 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1lfl h LEU 91 Cb 0.43 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1lfl h LEU 91 CO -0.50 -0.34 0.38 0.45 -0.34 0.00 0.00 178.44 178.09 1lfl h HIS 92 N -0.40 0.75 0.00 1.25 3.86 -1.23 -2.20 115.15 117.18 1lfl h HIS 92 Ca 0.07 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1lfl h HIS 92 Cb 0.50 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 1lfl h HIS 92 CO -0.32 0.48 -0.11 0.00 0.86 0.00 0.00 177.93 178.84 1lfl h ASP 94 N -1.00 0.23 0.00 0.00 3.32 -0.80 -3.06 116.42 115.11 1lfl h ASP 94 Ca -0.03 -0.53 -0.12 0.00 0.02 0.00 0.00 57.03 56.38 1lfl h ASP 94 Cb 0.77 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1lfl h ASP 94 CO -0.02 0.71 -1.77 0.29 -1.72 0.00 0.00 179.24 176.73 1lfl n LYS 95 N -4.65 1.12 -0.00 3.56 4.76 -1.02 -4.64 118.16 117.29 1lfl n LYS 95 Ca -0.07 -0.07 -0.19 0.00 -2.87 0.00 0.00 58.31 55.11 1lfl n LYS 95 Cb 0.34 -1.34 -0.14 0.00 -1.84 0.00 0.00 35.03 32.06 1lfl n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1lfl n LEU 96 N -2.23 2.26 -2.88 -0.35 4.77 -0.86 -5.01 117.00 112.70 1lfl n LEU 96 Ca -0.12 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 1lfl n LEU 96 Cb 0.64 -0.84 0.07 0.00 -2.33 0.00 0.00 43.42 40.96 1lfl n LEU 96 CO 0.29 0.76 0.08 1.41 -1.33 0.00 0.00 177.39 178.59 1lfl n HIS 97 N -3.38 -1.73 -3.37 -1.77 8.25 0.16 -4.97 115.22 108.41 1lfl n HIS 97 Ca -0.29 0.72 -0.39 0.00 -0.26 0.00 0.00 57.72 57.51 1lfl n HIS 97 Cb 1.05 -4.31 -0.08 0.00 1.12 0.00 0.00 29.99 27.77 1lfl n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1lfl s VAL 98 N -3.28 5.18 -0.31 1.59 1.01 0.19 -5.00 120.40 119.77 1lfl s VAL 98 Ca 0.05 0.70 -0.28 0.00 0.00 0.00 0.00 61.98 62.46 1lfl s VAL 98 Cb -0.01 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1lfl s VAL 98 CO 0.57 0.21 1.96 -0.62 0.00 0.00 0.00 175.10 177.22 1lfl s ASP 99 N 1.22 5.67 0.66 3.32 3.68 -1.26 -4.72 116.67 125.23 1lfl s ASP 99 Ca 0.19 1.45 0.10 0.00 2.13 0.00 0.00 52.55 56.42 1lfl s ASP 99 Cb -0.15 -2.52 0.51 0.00 -1.45 0.00 0.00 42.92 39.31 1lfl s ASP 99 CO 0.08 -1.86 1.27 -0.65 0.13 0.00 0.00 175.17 174.15 1lfl h PRO 100 N 13.91 0.00 -0.66 4.34 0.11 -1.96 -1.33 132.00 146.42 1lfl h PRO 100 Ca -0.35 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 1lfl h PRO 100 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1lfl h PRO 100 CO 1.02 0.00 0.41 1.49 -0.21 0.00 0.00 178.00 180.71 1lfl h GLU 101 N 0.00 0.88 0.00 1.05 4.57 -2.00 -1.78 114.58 117.30 1lfl h GLU 101 Ca 0.04 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1lfl h GLU 101 Cb 1.71 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 1lfl h GLU 101 CO -0.00 0.60 0.00 0.09 -1.18 0.00 0.00 179.01 178.52 1lfl n ASN 102 N -4.41 0.00 -0.05 1.04 3.02 -0.50 -2.10 115.26 112.25 1lfl n ASN 102 Ca 0.07 0.48 -0.15 0.00 -0.03 0.00 0.00 54.58 54.95 1lfl n ASN 102 Cb 0.06 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 38.67 1lfl n ASN 102 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1lfl h PHE 103 N 0.00 0.70 -0.76 3.10 0.04 -1.52 -0.95 116.94 117.54 1lfl h PHE 103 Ca 0.00 -0.26 0.04 0.00 2.80 0.00 0.00 57.97 60.55 1lfl h PHE 103 Cb 0.17 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.14 1lfl h PHE 103 CO 0.00 1.01 0.48 0.00 -0.60 0.00 0.00 178.31 179.20 1lfl h ARG 104 N 0.20 0.89 -0.53 1.51 -0.00 -1.55 -1.22 114.38 113.67 1lfl h ARG 104 Ca -0.00 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.40 1lfl h ARG 104 Cb 0.98 -0.20 -0.02 0.00 0.00 0.00 0.00 29.97 30.73 1lfl h ARG 104 CO 0.08 0.59 0.23 -0.07 0.00 0.00 0.00 179.97 180.80 1lfl h LEU 105 N 0.91 0.71 -1.61 3.04 3.38 -1.47 -1.72 115.31 118.56 1lfl h LEU 105 Ca 0.31 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1lfl h LEU 105 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1lfl h LEU 105 CO -0.13 0.67 -0.22 0.25 0.09 0.00 0.00 178.44 179.10 1lfl h LEU 106 N 0.72 0.00 -0.18 1.67 5.85 -0.59 -2.56 115.31 120.22 1lfl h LEU 106 Ca 0.18 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.72 1lfl h LEU 106 Cb 0.16 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.19 1lfl h LEU 106 CO -0.02 0.22 -0.57 1.23 -0.34 0.00 0.00 178.44 178.95 1lfl h GLY 107 N 0.85 0.77 1.53 3.75 0.00 -0.62 -2.01 103.07 107.35 1lfl h GLY 107 Ca -0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 47.33 46.24 1lfl h GLY 107 CO 0.03 0.90 -0.12 3.43 0.00 0.00 0.00 176.54 180.78 1lfl h ASN 108 N 0.40 0.55 -0.20 0.19 2.35 -1.03 -2.44 115.58 115.40 1lfl h ASN 108 Ca -0.02 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.47 1lfl h ASN 108 Cb 1.20 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.42 1lfl h ASN 108 CO 0.12 0.70 -0.32 0.58 -1.65 0.00 0.00 177.43 176.86 1lfl h VAL 109 N 0.52 1.33 -0.61 2.81 2.07 -1.47 -2.16 116.25 118.75 1lfl h VAL 109 Ca 0.09 -1.54 0.12 0.00 0.82 0.00 0.00 66.70 66.20 1lfl h VAL 109 Cb 0.52 1.84 -0.09 0.00 -1.52 0.00 0.00 31.29 32.03 1lfl h VAL 109 CO 0.03 0.47 0.08 0.25 0.02 0.00 0.00 177.57 178.43 1lfl h LEU 110 N 0.24 -0.10 -1.07 2.57 5.85 -1.18 0.51 115.31 122.12 1lfl h LEU 110 Ca 0.02 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1lfl h LEU 110 Cb 0.91 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1lfl h LEU 110 CO 0.07 -0.04 -0.01 0.58 -0.34 0.00 0.00 178.44 178.70 1lfl h VAL 111 N 0.20 1.22 -0.11 1.05 2.07 -1.32 0.42 116.25 119.78 1lfl h VAL 111 Ca 0.32 -0.91 -0.15 0.00 0.82 0.00 0.00 66.70 66.78 1lfl h VAL 111 Cb 0.51 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1lfl h VAL 111 CO -0.46 0.31 -0.58 0.00 0.02 0.00 0.00 177.57 176.87 1lfl h VAL 113 N 0.26 1.28 -0.47 0.00 2.07 0.65 0.28 116.25 120.32 1lfl h VAL 113 Ca -0.00 -1.49 -0.08 0.00 0.82 0.00 0.00 66.70 65.95 1lfl h VAL 113 Cb 1.09 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1lfl h VAL 113 CO 0.10 0.50 -0.03 -0.07 0.02 0.00 0.00 177.57 178.08 1lfl h LEU 114 N 0.69 0.76 -0.45 2.57 3.38 -0.90 -0.42 115.31 120.93 1lfl h LEU 114 Ca 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1lfl h LEU 114 Cb 0.91 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1lfl h LEU 114 CO 0.08 0.85 0.14 0.00 0.09 0.00 0.00 178.44 179.60 1lfl h ALA 115 N 1.24 0.59 -0.83 1.53 0.00 -1.17 0.22 119.26 120.84 1lfl h ALA 115 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1lfl h ALA 115 Cb 0.49 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1lfl h ALA 115 CO 0.02 0.23 0.44 1.25 0.00 0.00 0.00 179.25 181.20 1lfl h HIS 116 N 0.59 1.14 0.00 0.00 -0.00 -0.42 -1.63 115.15 114.82 1lfl h HIS 116 Ca 0.15 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1lfl h HIS 116 Cb 0.26 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 1lfl h HIS 116 CO 0.01 0.80 -0.00 1.25 -0.00 0.00 0.00 177.93 179.99 1lfl h HIS 117 N 1.16 -0.00 -0.01 5.26 6.17 -0.78 -3.37 115.15 123.59 1lfl h HIS 117 Ca 0.29 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.37 1lfl h HIS 117 Cb 0.04 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.98 1lfl h HIS 117 CO 0.01 0.95 -0.09 1.19 0.71 0.00 0.00 177.93 180.70 1lfl n PHE 118 N -4.63 0.00 -0.46 5.26 3.01 0.75 -5.02 117.46 116.37 1lfl n PHE 118 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1lfl n PHE 118 Cb 0.46 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 1lfl n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1lfl n GLY 119 N 1.22 1.32 0.51 1.37 0.00 -0.62 -1.50 105.19 107.49 1lfl n GLY 119 Ca 0.17 -0.33 0.28 0.00 0.00 0.00 0.00 46.02 46.14 1lfl n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1lfl n LYS 120 N 12.61 0.01 0.14 1.61 0.00 -1.26 0.67 118.16 131.94 1lfl n LYS 120 Ca 0.00 0.95 -0.01 0.00 0.00 0.00 0.00 58.31 59.25 1lfl n LYS 120 Cb 0.00 -2.34 0.22 0.00 0.00 0.00 0.00 35.03 32.90 1lfl n LYS 120 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1lfl h GLU 121 N 0.00 0.04 -4.65 1.64 4.81 -1.66 -3.35 114.58 111.40 1lfl h GLU 121 Ca 0.49 -0.02 -0.72 0.00 -0.13 0.00 0.00 59.36 58.98 1lfl h GLU 121 Cb 2.78 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 32.06 1lfl h GLU 121 CO -0.01 0.57 2.26 0.34 -0.73 0.00 0.00 179.01 181.45 1lfl n PHE 122 N -3.90 4.08 -2.15 0.92 7.35 0.21 -4.98 117.46 119.00 1lfl n PHE 122 Ca -0.01 -2.98 -0.32 0.00 -0.76 0.00 0.00 57.45 53.38 1lfl n PHE 122 Cb 0.55 -2.39 -0.00 0.00 0.35 0.00 0.00 39.48 37.99 1lfl n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1lfl s THR 123 N 2.64 4.16 0.26 -2.13 -4.23 -1.26 -4.76 115.64 110.32 1lfl s THR 123 Ca 0.47 0.99 -0.10 0.00 -1.18 0.00 0.00 61.69 61.87 1lfl s THR 123 Cb 0.06 -3.54 0.39 0.00 1.34 0.00 0.00 72.50 70.75 1lfl s THR 123 CO 0.00 -0.64 1.49 -2.65 -0.54 0.00 0.00 174.62 172.28 1lfl n PRO 124 N -1.96 -0.12 0.19 3.99 -0.02 -1.26 0.85 135.00 136.67 1lfl n PRO 124 Ca 0.08 1.49 0.04 0.00 -2.02 0.00 0.00 63.50 63.08 1lfl n PRO 124 Cb 0.53 -2.21 0.39 0.00 -0.02 0.00 0.00 33.50 32.19 1lfl n PRO 124 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1lfl h PRO 125 N 0.00 0.00 -0.35 0.52 0.13 -1.99 -0.44 132.00 129.87 1lfl h PRO 125 Ca 0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.50 1lfl h PRO 125 Cb 0.66 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1lfl h PRO 125 CO -0.97 0.36 -0.01 0.28 -0.23 0.00 0.00 178.00 177.43 1lfl h VAL 126 N 0.00 1.26 0.10 1.56 2.07 0.10 -1.39 116.25 119.95 1lfl h VAL 126 Ca -0.00 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1lfl h VAL 126 Cb 0.71 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1lfl h VAL 126 CO 0.05 0.33 -0.05 -0.61 0.02 0.00 0.00 177.57 177.31 1lfl h GLN 127 N 0.43 -0.13 -0.69 1.57 4.15 -0.73 0.55 115.11 120.26 1lfl h GLN 127 Ca 0.10 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.65 1lfl h GLN 127 Cb 0.47 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.10 1lfl h GLN 127 CO 0.02 -0.08 0.26 0.00 -1.93 0.00 0.00 178.83 177.10 1lfl h ALA 128 N 0.76 0.92 -0.38 3.38 0.00 -1.04 0.35 119.26 123.25 1lfl h ALA 128 Ca -0.01 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1lfl h ALA 128 Cb 0.11 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1lfl h ALA 128 CO 0.02 -0.20 0.11 0.00 0.00 0.00 0.00 179.25 179.18 1lfl h ALA 129 N 1.49 0.43 -0.33 0.00 0.00 -0.39 -2.54 119.26 117.92 1lfl h ALA 129 Ca 0.36 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 1lfl h ALA 129 Cb 0.51 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1lfl h ALA 129 CO -0.36 -0.28 -0.29 1.88 0.00 0.00 0.00 179.25 180.19 1lfl h TYR 130 N 0.25 0.79 -0.54 0.00 0.05 0.93 -2.85 116.97 115.60 1lfl h TYR 130 Ca 0.18 -0.20 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1lfl h TYR 130 Cb 0.17 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1lfl h TYR 130 CO -0.16 0.90 0.28 1.96 -1.05 0.00 0.00 178.16 180.08 1lfl h GLN 131 N 0.58 0.75 0.00 4.88 1.08 -0.09 -0.52 115.11 121.80 1lfl h GLN 131 Ca 0.07 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1lfl h GLN 131 Cb 0.79 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 1lfl h GLN 131 CO 0.07 0.57 -0.28 0.87 -0.95 0.00 0.00 178.83 179.11 1lfl h LYS 132 N 0.76 0.00 0.20 1.46 1.57 -1.23 -1.95 116.57 117.39 1lfl h LYS 132 Ca 0.19 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.63 1lfl h LYS 132 Cb 0.05 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.38 1lfl h LYS 132 CO -0.03 0.28 -1.67 0.28 -0.57 0.00 0.00 179.45 177.74 1lfl h VAL 133 N 0.00 1.04 -0.04 0.50 2.07 -1.01 -2.87 116.25 115.94 1lfl h VAL 133 Ca -0.00 -2.58 -0.10 0.00 0.82 0.00 0.00 66.70 64.84 1lfl h VAL 133 Cb 0.56 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 1lfl h VAL 133 CO 0.04 0.85 -0.44 -0.37 0.02 0.00 0.00 177.57 177.66 1lfl h VAL 134 N 0.12 1.32 -0.06 2.57 -1.51 -1.16 -0.42 116.25 117.12 1lfl h VAL 134 Ca -0.32 -1.55 -0.01 0.00 -1.23 0.00 0.00 66.70 63.59 1lfl h VAL 134 Cb 2.12 1.79 -0.00 0.00 -2.13 0.00 0.00 31.29 33.07 1lfl h VAL 134 CO 0.21 0.45 -0.02 0.00 -1.23 0.00 0.00 177.57 176.98 1lfl h ALA 135 N 1.48 0.08 -0.48 5.19 0.00 -1.45 -0.31 119.26 123.77 1lfl h ALA 135 Ca 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1lfl h ALA 135 Cb 0.81 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1lfl h ALA 135 CO 0.06 -0.20 0.08 0.78 0.00 0.00 0.00 179.25 179.98 1lfl h GLY 136 N -0.25 0.57 1.03 0.00 0.00 -1.27 0.12 103.07 103.26 1lfl h GLY 136 Ca 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1lfl h GLY 136 CO 0.01 -0.07 0.64 -2.08 0.00 0.00 0.00 176.54 175.03 1lfl h VAL 137 N 0.22 1.23 -0.26 4.60 2.07 -0.95 -0.60 116.25 122.56 1lfl h VAL 137 Ca 0.24 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1lfl h VAL 137 Cb 0.32 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1lfl h VAL 137 CO -0.32 0.23 -0.01 0.00 0.02 0.00 0.00 177.57 177.49 1lfl h ALA 138 N 1.41 0.35 -0.43 1.67 0.00 0.82 0.28 119.26 123.36 1lfl h ALA 138 Ca 0.36 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1lfl h ALA 138 Cb -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1lfl h ALA 138 CO -0.09 0.10 -0.11 -0.91 0.00 0.00 0.00 179.25 178.25 1lfl h ASN 139 N 0.24 0.76 -0.46 0.00 -0.26 -0.59 -2.47 115.58 112.80 1lfl h ASN 139 Ca 0.07 -0.23 -0.05 0.00 -0.56 0.00 0.00 56.30 55.54 1lfl h ASN 139 Cb 0.44 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 1lfl h ASN 139 CO 0.02 0.90 0.10 0.00 -1.06 0.00 0.00 177.43 177.38 1lfl h ALA 140 N 1.18 0.61 0.00 -0.83 0.00 -0.99 -1.82 119.26 117.40 1lfl h ALA 140 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1lfl h ALA 140 Cb 0.59 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1lfl h ALA 140 CO 0.04 0.32 0.00 -0.11 0.00 0.00 0.00 179.25 179.49 1lfl n LEU 141 N -4.48 0.18 -0.00 0.00 7.94 0.08 -2.32 117.00 118.40 1lfl n LEU 141 Ca 0.01 0.55 0.07 0.00 -1.11 0.00 0.00 56.01 55.52 1lfl n LEU 141 Cb 0.23 -0.52 -0.09 0.00 0.53 0.00 0.00 43.42 43.57 1lfl n LEU 141 CO 0.40 -0.35 -0.11 0.00 -1.11 0.00 0.00 177.39 176.22 1lfl n ALA 142 N -1.57 3.78 0.06 1.96 0.00 -0.92 -4.48 120.51 119.35 1lfl n ALA 142 Ca 0.03 -0.41 0.19 0.00 0.00 0.00 0.00 53.44 53.25 1lfl n ALA 142 Cb 0.18 -0.54 0.56 0.00 0.00 0.00 0.00 19.45 19.65 1lfl n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1lfl h HIS 143 N 0.00 0.00 -0.03 0.00 6.17 -0.93 -1.01 115.15 119.35 1lfl h HIS 143 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1lfl h HIS 143 Cb 0.39 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.32 1lfl h HIS 143 CO 0.00 0.00 -0.02 1.63 0.71 0.00 0.00 177.93 180.25 1lfl n LYS 144 N -3.26 1.93 -1.79 5.26 4.76 -1.26 -4.95 118.16 118.85 1lfl n LYS 144 Ca 0.10 -1.73 -0.40 0.00 -2.87 0.00 0.00 58.31 53.41 1lfl n LYS 144 Cb 0.93 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.68 1lfl n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1lfl s TYR 145 N -1.80 1.42 -0.63 2.13 2.02 -0.38 -4.87 117.35 115.23 1lfl s TYR 145 Ca 0.24 0.89 0.05 0.00 -0.37 0.00 0.00 57.07 57.89 1lfl s TYR 145 Cb 0.18 -3.92 0.04 0.00 -0.40 0.00 0.00 41.96 37.85 1lfl s TYR 145 CO 0.28 -2.99 0.66 -2.39 -1.57 0.00 0.00 175.55 169.54