#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 2.76 0.04 6.34 5.04 -1.26 -4.79 115.29 123.42 1lfl s HIS 2 Ca 0.00 -0.70 0.06 0.00 -1.54 0.00 0.00 55.06 52.87 1lfl s HIS 2 Cb 0.00 -1.81 -0.02 0.00 0.04 0.00 0.00 32.58 30.79 1lfl s HIS 2 CO 0.00 -0.24 -0.16 -0.51 -2.34 0.00 0.00 174.74 171.49 1lfl s LEU 3 N 0.31 2.17 0.73 8.88 1.02 -1.26 -5.10 118.68 125.43 1lfl s LEU 3 Ca -0.12 -0.48 -0.14 0.00 0.02 0.00 0.00 54.13 53.41 1lfl s LEU 3 Cb -0.16 -0.71 0.04 0.00 0.02 0.00 0.00 46.19 45.37 1lfl s LEU 3 CO 0.06 0.07 1.17 0.42 0.02 0.00 0.00 176.35 178.09 1lfl s THR 4 N -0.83 2.62 0.37 5.49 -4.23 -1.26 -4.61 115.64 113.18 1lfl s THR 4 Ca 0.03 0.29 0.17 0.00 -1.18 0.00 0.00 61.69 61.00 1lfl s THR 4 Cb -0.08 -2.79 0.36 0.00 1.34 0.00 0.00 72.50 71.33 1lfl s THR 4 CO 0.01 -0.18 1.70 -0.65 -0.54 0.00 0.00 174.62 174.97 1lfl h PRO 5 N -0.36 0.36 -0.40 3.99 0.11 -2.00 0.85 132.00 134.55 1lfl h PRO 5 Ca -0.47 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1lfl h PRO 5 Cb 1.28 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1lfl h PRO 5 CO 0.50 0.24 -0.16 1.05 -0.21 0.00 0.00 178.00 179.42 1lfl h GLU 6 N 0.37 0.82 0.25 1.05 9.09 -2.00 -2.42 114.58 121.75 1lfl h GLU 6 Ca 0.68 -0.35 -0.01 0.00 0.05 0.00 0.00 59.36 59.74 1lfl h GLU 6 Cb 1.64 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.71 1lfl h GLU 6 CO -0.46 0.98 -0.12 0.93 0.05 0.00 0.00 179.01 180.39 1lfl h GLU 7 N 0.64 -0.33 -0.93 1.06 5.08 -1.24 -2.29 114.58 116.56 1lfl h GLU 7 Ca 0.09 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.68 1lfl h GLU 7 Cb 0.71 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.92 1lfl h GLU 7 CO 0.05 -0.03 0.50 -0.22 -1.00 0.00 0.00 179.01 178.31 1lfl h LYS 8 N -0.64 0.55 -0.16 2.33 1.63 -1.17 -1.62 116.57 117.50 1lfl h LYS 8 Ca -0.03 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 1lfl h LYS 8 Cb 0.45 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 1lfl h LYS 8 CO 0.06 0.36 0.01 0.66 -3.45 0.00 0.00 179.45 177.09 1lfl h SER 9 N 0.57 0.27 -0.31 4.20 4.64 -1.31 -3.03 113.55 118.57 1lfl h SER 9 Ca 0.56 -0.29 0.02 0.00 -0.47 0.00 0.00 61.79 61.61 1lfl h SER 9 Cb 0.98 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 1lfl h SER 9 CO -0.45 0.50 0.15 0.00 -0.87 0.00 0.00 176.83 176.16 1lfl h ALA 10 N 0.78 0.37 0.24 5.18 0.00 -0.73 -0.43 119.26 124.68 1lfl h ALA 10 Ca 0.05 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1lfl h ALA 10 Cb 0.35 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1lfl h ALA 10 CO 0.01 -0.23 -0.46 0.28 0.00 0.00 0.00 179.25 178.85 1lfl h VAL 11 N 0.32 0.10 -0.53 0.00 2.07 -1.40 -0.25 116.25 116.56 1lfl h VAL 11 Ca 0.13 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.67 1lfl h VAL 11 Cb 0.04 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 1lfl h VAL 11 CO -0.09 0.00 0.32 0.74 0.02 0.00 0.00 177.57 178.56 1lfl h THR 12 N -0.77 1.07 -0.17 2.57 2.02 -1.45 -0.19 112.91 116.00 1lfl h THR 12 Ca -0.01 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1lfl h THR 12 Cb 0.75 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1lfl h THR 12 CO -0.19 0.12 -0.09 0.00 0.37 0.00 0.00 175.52 175.73 1lfl h ALA 13 N 1.22 1.54 0.14 6.16 0.00 -0.83 -0.10 119.26 127.40 1lfl h ALA 13 Ca 0.21 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1lfl h ALA 13 Cb -0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1lfl h ALA 13 CO -0.08 0.33 -1.10 1.25 0.00 0.00 0.00 179.25 179.65 1lfl h LEU 14 N 0.25 0.48 -1.92 0.00 7.12 -0.76 -3.30 115.31 117.17 1lfl h LEU 14 Ca 0.05 -0.92 -0.02 0.00 0.13 0.00 0.00 57.88 57.12 1lfl h LEU 14 Cb 0.32 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.29 1lfl h LEU 14 CO 0.02 1.51 -0.12 -0.25 -0.13 0.00 0.00 178.44 179.46 1lfl h TRP 15 N -0.29 0.00 0.00 1.25 2.91 -0.89 -2.23 115.95 116.69 1lfl h TRP 15 Ca -0.21 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.81 1lfl h TRP 15 Cb 1.74 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.39 1lfl h TRP 15 CO 0.17 0.12 0.00 0.78 -1.03 0.00 0.00 178.44 178.47 1lfl h GLY 16 N 0.74 0.00 -3.18 2.65 0.00 -1.09 -2.79 103.07 99.40 1lfl h GLY 16 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 1lfl h GLY 16 CO 0.02 0.00 -0.52 0.58 0.00 0.00 0.00 176.54 176.62 1lfl n LYS 17 N -3.00 3.02 -4.80 4.80 2.85 -0.84 -5.02 118.16 115.17 1lfl n LYS 17 Ca -0.02 -3.85 -0.33 0.00 -1.05 0.00 0.00 58.31 53.07 1lfl n LYS 17 Cb 0.15 -2.13 -0.13 0.00 -0.65 0.00 0.00 35.03 32.27 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 -4.28 3.20 -0.65 0.58 1.01 -1.06 -5.08 120.40 114.13 1lfl s VAL 18 Ca 0.50 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 1lfl s VAL 18 Cb 0.41 -2.29 0.08 0.00 0.00 0.00 0.00 36.38 34.58 1lfl s VAL 18 CO 0.01 0.58 0.92 0.21 0.00 0.00 0.00 175.10 176.82 1lfl s ASN 19 N -0.49 6.19 0.61 3.32 3.84 -1.26 -4.89 114.94 122.25 1lfl s ASN 19 Ca 0.07 -1.11 0.32 0.00 0.21 0.00 0.00 52.86 52.35 1lfl s ASN 19 Cb -0.12 -2.39 1.93 0.00 -0.55 0.00 0.00 41.25 40.12 1lfl s ASN 19 CO 0.02 -1.37 2.27 0.58 -2.79 0.00 0.00 177.10 175.81 1lfl h VAL 20 N 5.96 0.43 -0.35 -5.21 2.07 -1.97 -0.16 116.25 117.01 1lfl h VAL 20 Ca -0.28 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 1lfl h VAL 20 Cb 1.07 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1lfl h VAL 20 CO 1.17 0.00 -0.35 0.44 0.02 0.00 0.00 177.57 178.84 1lfl h ASP 21 N 0.00 0.92 0.00 0.57 3.32 -1.93 -2.66 116.42 116.63 1lfl h ASP 21 Ca 0.00 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1lfl h ASP 21 Cb 0.02 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1lfl h ASP 21 CO -0.00 1.20 -0.00 -0.08 -1.72 0.00 0.00 179.24 178.64 1lfl h GLU 22 N 0.65 -0.00 -0.86 3.56 4.81 -1.55 -3.31 114.58 117.87 1lfl h GLU 22 Ca 0.05 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.52 1lfl h GLU 22 Cb 0.94 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.28 1lfl h GLU 22 CO 0.09 -0.00 0.60 0.28 -0.73 0.00 0.00 179.01 179.25 1lfl h VAL 23 N -0.00 0.61 0.28 0.32 2.07 -1.25 -2.73 116.25 115.54 1lfl h VAL 23 Ca -0.00 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1lfl h VAL 23 Cb 0.00 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1lfl h VAL 23 CO 0.00 0.03 -0.15 1.23 0.02 0.00 0.00 177.57 178.69 1lfl h GLY 24 N 0.14 -0.54 2.00 2.17 0.00 -1.59 -1.79 103.07 103.46 1lfl h GLY 24 Ca 0.43 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.96 1lfl h GLY 24 CO -0.07 -0.19 -0.05 -1.33 0.00 0.00 0.00 176.54 174.90 1lfl h GLY 25 N -0.40 0.00 0.78 4.60 0.00 -1.63 -2.61 103.07 103.81 1lfl h GLY 25 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1lfl h GLY 25 CO 0.05 0.00 -0.00 -2.09 0.00 0.00 0.00 176.54 174.50 1lfl h GLU 26 N 0.00 -0.01 0.57 4.80 4.57 -1.33 -2.28 114.58 120.89 1lfl h GLU 26 Ca -0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1lfl h GLU 26 Cb 0.21 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1lfl h GLU 26 CO 0.01 0.21 -0.27 0.00 -1.18 0.00 0.00 179.01 177.77 1lfl h ALA 27 N 0.75 -0.76 -0.99 2.92 0.00 -0.94 -2.25 119.26 117.98 1lfl h ALA 27 Ca -0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1lfl h ALA 27 Cb 0.23 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1lfl h ALA 27 CO 0.00 -0.84 0.65 1.25 0.00 0.00 0.00 179.25 180.31 1lfl h LEU 28 N -0.94 1.07 0.09 0.00 5.85 -1.64 0.94 115.31 120.66 1lfl h LEU 28 Ca -0.08 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1lfl h LEU 28 Cb 0.64 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1lfl h LEU 28 CO 0.13 0.71 -0.09 1.23 -0.34 0.00 0.00 178.44 180.08 1lfl h GLY 29 N 1.23 -0.18 2.00 3.75 0.00 -1.38 -1.33 103.07 107.15 1lfl h GLY 29 Ca 0.41 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.80 1lfl h GLY 29 CO -0.14 -0.10 -0.18 3.21 0.00 0.00 0.00 176.54 179.33 1lfl h ARG 30 N -0.20 0.00 -0.75 4.80 3.08 -0.84 -1.55 114.38 118.91 1lfl h ARG 30 Ca 0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1lfl h ARG 30 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1lfl h ARG 30 CO -0.03 0.18 0.34 1.25 -1.07 0.00 0.00 179.97 180.64 1lfl h LEU 31 N 0.00 1.01 -0.30 3.04 5.85 0.25 -0.86 115.31 124.31 1lfl h LEU 31 Ca -0.00 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.45 1lfl h LEU 31 Cb 0.45 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1lfl h LEU 31 CO 0.02 0.87 -0.59 -0.07 -0.34 0.00 0.00 178.44 178.33 1lfl h LEU 32 N 1.07 0.00 0.01 2.25 4.07 -0.52 -0.55 115.31 121.64 1lfl h LEU 32 Ca 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.19 1lfl h LEU 32 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1lfl h LEU 32 CO -0.03 0.59 -0.11 0.58 -1.08 0.00 0.00 178.44 178.40 1lfl h VAL 33 N 0.00 1.64 0.03 1.22 2.07 -0.97 -3.28 116.25 116.96 1lfl h VAL 33 Ca -0.01 -2.02 -0.18 0.00 0.82 0.00 0.00 66.70 65.31 1lfl h VAL 33 Cb 1.33 2.99 0.02 0.00 -1.52 0.00 0.00 31.29 34.10 1lfl h VAL 33 CO 0.08 0.54 -0.71 0.58 0.02 0.00 0.00 177.57 178.07 1lfl h VAL 34 N -0.74 1.42 -2.64 2.57 2.07 -1.26 -3.37 116.25 114.30 1lfl h VAL 34 Ca -0.02 -2.19 -0.70 0.00 0.82 0.00 0.00 66.70 64.62 1lfl h VAL 34 Cb 0.94 2.68 -0.35 0.00 -1.52 0.00 0.00 31.29 33.03 1lfl h VAL 34 CO 0.02 0.64 0.05 -1.22 0.02 0.00 0.00 177.57 177.08 1lfl n TYR 35 N -4.15 3.15 -0.37 1.57 4.01 -0.21 -4.92 117.16 116.24 1lfl n TYR 35 Ca -0.11 -3.50 0.32 0.00 -0.16 0.00 0.00 57.90 54.45 1lfl n TYR 35 Cb 0.73 -0.92 0.58 0.00 -0.31 0.00 0.00 39.34 39.42 1lfl n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1lfl h PRO 36 N 4.94 0.11 0.00 -0.72 0.11 -1.74 0.10 132.00 134.80 1lfl h PRO 36 Ca 0.19 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1lfl h PRO 36 Cb 0.66 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 1lfl h PRO 36 CO 1.05 0.07 -0.02 0.11 -0.21 0.00 0.00 178.00 178.99 1lfl h TRP 37 N 0.11 0.00 0.00 0.65 0.09 -1.91 -0.93 115.95 113.96 1lfl h TRP 37 Ca 0.81 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.79 1lfl h TRP 37 Cb 2.24 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.48 1lfl h TRP 37 CO -0.01 0.02 0.00 0.25 0.09 0.00 0.00 178.44 178.80 1lfl n THR 38 N -4.17 0.93 0.33 0.12 -2.24 0.02 -1.41 114.28 107.87 1lfl n THR 38 Ca -0.03 0.43 0.06 0.00 -2.27 0.00 0.00 64.05 62.25 1lfl n THR 38 Cb 0.11 -1.39 0.28 0.00 -2.10 0.00 0.00 70.33 67.23 1lfl n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lfl n GLN 39 N -2.23 0.04 0.19 -0.78 6.02 -0.35 -2.90 117.38 117.38 1lfl n GLN 39 Ca 0.01 0.37 0.18 0.00 -0.01 0.00 0.00 57.00 57.55 1lfl n GLN 39 Cb 0.15 -1.60 0.76 0.00 1.02 0.00 0.00 30.24 30.58 1lfl n GLN 39 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1lfl h ARG 40 N 0.00 0.00 -0.32 -1.09 2.43 -1.43 -1.38 114.38 112.59 1lfl h ARG 40 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1lfl h ARG 40 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1lfl h ARG 40 CO 0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.65 1lfl n PHE 41 N -3.37 0.84 -2.74 2.20 3.01 -1.14 -4.67 117.46 111.58 1lfl n PHE 41 Ca 0.04 -0.73 -0.05 0.00 1.01 0.00 0.00 57.45 57.72 1lfl n PHE 41 Cb 0.53 -0.22 0.04 0.00 -0.01 0.00 0.00 39.48 39.83 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 -0.03 1.01 0.54 1.38 3.01 -0.52 -4.82 117.46 118.03 1lfl n PHE 42 Ca 0.18 -2.44 0.13 0.00 1.01 0.00 0.00 57.45 56.33 1lfl n PHE 42 Cb 0.74 -0.20 0.44 0.00 -0.01 0.00 0.00 39.48 40.44 1lfl n PHE 42 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1lfl n GLU 43 N -0.36 0.24 0.07 -1.08 -0.58 -1.25 -2.80 120.64 114.88 1lfl n GLU 43 Ca 0.07 0.29 0.13 0.00 -0.42 0.00 0.00 57.16 57.23 1lfl n GLU 43 Cb 0.81 -1.83 0.41 0.00 -0.57 0.00 0.00 31.44 30.26 1lfl n GLU 43 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1lfl n SER 44 N -2.26 0.61 -0.14 1.62 7.64 -1.26 -3.30 113.62 116.53 1lfl n SER 44 Ca 0.04 0.46 0.14 0.00 1.01 0.00 0.00 58.87 60.52 1lfl n SER 44 Cb 0.36 -0.54 0.62 0.00 -1.01 0.00 0.00 64.21 63.63 1lfl n SER 44 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1lfl n PHE 45 N -2.04 0.00 -0.22 1.43 0.99 -1.12 -5.04 117.46 111.46 1lfl n PHE 45 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 1lfl n PHE 45 Cb 0.41 -0.15 0.00 0.00 -1.00 0.00 0.00 39.48 38.74 1lfl n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1lfl n GLY 46 N 1.25 1.06 3.67 1.37 0.00 -1.21 -4.72 105.19 106.61 1lfl n GLY 46 Ca 0.15 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 6.64 -0.04 1.61 3.68 -1.26 -4.87 116.67 118.43 1lfl s ASP 47 Ca 0.00 2.33 0.23 0.00 2.13 0.00 0.00 52.55 57.24 1lfl s ASP 47 Cb 0.00 -2.54 0.42 0.00 -1.45 0.00 0.00 42.92 39.35 1lfl s ASP 47 CO 0.00 -0.92 1.18 0.18 0.13 0.00 0.00 175.17 175.73 1lfl n LEU 48 N 6.81 1.28 0.09 -1.34 4.77 -1.26 -4.16 117.00 123.20 1lfl n LEU 48 Ca 0.17 -2.32 -0.05 0.00 -0.03 0.00 0.00 56.01 53.79 1lfl n LEU 48 Cb 0.42 -0.09 0.12 0.00 -2.33 0.00 0.00 43.42 41.54 1lfl n LEU 48 CO 0.63 0.65 0.47 0.77 -1.33 0.00 0.00 177.39 178.58 1lfl h SER 49 N 0.98 0.23 -4.90 -1.43 4.64 -1.96 -3.46 113.55 107.66 1lfl h SER 49 Ca -0.19 -0.14 -0.18 0.00 -0.47 0.00 0.00 61.79 60.81 1lfl h SER 49 Cb 1.73 -0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 63.61 1lfl h SER 49 CO 0.08 0.79 -0.69 0.42 -0.87 0.00 0.00 176.83 176.57 1lfl s THR 50 N -3.72 0.47 0.22 2.95 -4.23 -1.26 -5.03 115.64 105.05 1lfl s THR 50 Ca -0.04 -1.89 -0.12 0.00 -1.18 0.00 0.00 61.69 58.46 1lfl s THR 50 Cb 0.12 -1.67 0.28 0.00 1.34 0.00 0.00 72.50 72.57 1lfl s THR 50 CO 0.79 -0.87 1.61 -0.65 -0.54 0.00 0.00 174.62 174.96 1lfl h PRO 51 N 3.02 0.00 -0.22 3.99 0.11 -1.97 -0.81 132.00 136.10 1lfl h PRO 51 Ca -0.35 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.65 1lfl h PRO 51 Cb 1.16 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1lfl h PRO 51 CO 0.65 0.00 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.67 1lfl h ASP 52 N 0.00 0.48 0.54 -2.05 3.32 -1.98 -0.15 116.42 116.58 1lfl h ASP 52 Ca 0.34 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1lfl h ASP 52 Cb 0.51 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.94 1lfl h ASP 52 CO -0.72 0.78 -0.26 0.00 -1.72 0.00 0.00 179.24 177.32 1lfl h ALA 53 N 1.25 -0.73 -0.10 3.45 0.00 -1.54 -2.19 119.26 119.41 1lfl h ALA 53 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1lfl h ALA 53 Cb 0.77 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1lfl h ALA 53 CO 0.06 -0.86 0.06 0.28 0.00 0.00 0.00 179.25 178.79 1lfl h VAL 54 N -0.82 1.03 -0.25 0.00 2.07 -1.21 -0.98 116.25 116.08 1lfl h VAL 54 Ca -0.07 -0.06 -0.17 0.00 0.82 0.00 0.00 66.70 67.21 1lfl h VAL 54 Cb 0.60 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1lfl h VAL 54 CO 0.12 0.03 -0.52 0.24 0.02 0.00 0.00 177.57 177.46 1lfl h MET 55 N 0.14 0.80 -0.02 1.57 2.07 -0.72 -3.21 114.93 115.55 1lfl h MET 55 Ca 0.04 -0.52 0.00 0.00 -2.07 0.00 0.00 59.70 57.15 1lfl h MET 55 Cb -0.01 0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.79 1lfl h MET 55 CO -0.01 1.15 -0.05 0.41 1.07 0.00 0.00 176.91 179.48 1lfl n GLY 56 N 0.41 0.38 3.60 8.32 0.00 -0.85 -4.81 105.19 112.24 1lfl n GLY 56 Ca -0.05 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 1lfl n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lfl s ASN 57 N -2.06 5.63 0.31 1.61 3.84 -0.39 -4.86 114.94 119.02 1lfl s ASN 57 Ca 0.32 1.73 0.04 0.00 0.21 0.00 0.00 52.86 55.15 1lfl s ASN 57 Cb 0.20 -2.52 0.64 0.00 -0.55 0.00 0.00 41.25 39.02 1lfl s ASN 57 CO 0.35 -1.85 1.85 1.55 -2.79 0.00 0.00 177.10 176.22 1lfl h PRO 58 N 14.18 0.88 -0.11 0.43 0.13 -1.90 -0.10 132.00 145.52 1lfl h PRO 58 Ca -0.39 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1lfl h PRO 58 Cb 1.22 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1lfl h PRO 58 CO 0.98 0.58 0.07 0.87 -0.23 0.00 0.00 178.00 180.27 1lfl h LYS 59 N 0.90 0.14 0.00 0.86 6.56 -1.89 -1.91 116.57 121.24 1lfl h LYS 59 Ca 0.47 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 60.03 1lfl h LYS 59 Cb 0.53 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1lfl h LYS 59 CO -0.23 0.10 -0.11 0.28 -2.06 0.00 0.00 179.45 177.43 1lfl h VAL 60 N 0.14 1.48 -0.95 0.50 2.07 -1.40 -2.99 116.25 115.10 1lfl h VAL 60 Ca 0.04 -2.15 0.18 0.00 0.82 0.00 0.00 66.70 65.59 1lfl h VAL 60 Cb -0.01 2.83 -0.10 0.00 -1.52 0.00 0.00 31.29 32.49 1lfl h VAL 60 CO -0.01 0.50 0.54 0.11 0.02 0.00 0.00 177.57 178.74 1lfl h LYS 61 N -1.00 0.68 0.09 1.57 1.57 -1.07 -1.08 116.57 117.33 1lfl h LYS 61 Ca -0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1lfl h LYS 61 Cb 0.89 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1lfl h LYS 61 CO -0.02 0.45 -0.04 0.00 -0.57 0.00 0.00 179.45 179.27 1lfl h ALA 62 N 1.63 -0.12 -0.17 3.86 0.00 -1.48 -3.13 119.26 119.85 1lfl h ALA 62 Ca 0.54 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1lfl h ALA 62 Cb 0.84 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1lfl h ALA 62 CO -0.39 -0.26 0.01 1.25 0.00 0.00 0.00 179.25 179.85 1lfl h HIS 63 N -0.73 0.24 0.00 0.00 -0.00 -1.35 0.49 115.15 113.79 1lfl h HIS 63 Ca -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1lfl h HIS 63 Cb 0.56 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.90 1lfl h HIS 63 CO 0.11 0.25 -0.01 0.78 -0.00 0.00 0.00 177.93 179.06 1lfl h GLY 64 N 0.49 0.00 1.96 5.26 0.00 -1.24 -0.22 103.07 109.32 1lfl h GLY 64 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.29 1lfl h GLY 64 CO 0.00 0.00 -0.47 0.50 0.00 0.00 0.00 176.54 176.57 1lfl h LYS 65 N 0.00 0.04 -0.11 4.80 1.57 -0.84 -2.86 116.57 119.18 1lfl h LYS 65 Ca -0.00 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.56 1lfl h LYS 65 Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.34 1lfl h LYS 65 CO 0.00 0.51 -0.69 0.87 -0.57 0.00 0.00 179.45 179.57 1lfl h LYS 66 N 0.03 0.66 -0.18 3.15 1.79 -0.94 -2.43 116.57 118.65 1lfl h LYS 66 Ca -0.00 -0.56 0.04 0.00 -2.18 0.00 0.00 60.65 57.95 1lfl h LYS 66 Cb 0.85 0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 31.58 1lfl h LYS 66 CO 0.06 1.18 -0.10 0.28 -1.08 0.00 0.00 179.45 179.79 1lfl h VAL 67 N 0.32 0.69 0.00 0.50 2.07 -1.30 0.65 116.25 119.19 1lfl h VAL 67 Ca -0.06 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1lfl h VAL 67 Cb 1.33 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1lfl h VAL 67 CO 0.14 0.00 -0.45 -0.07 0.02 0.00 0.00 177.57 177.21 1lfl h LEU 68 N -0.09 0.00 -0.28 2.57 3.38 -1.59 0.30 115.31 119.61 1lfl h LEU 68 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1lfl h LEU 68 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1lfl h LEU 68 CO -0.24 0.45 0.00 1.23 0.09 0.00 0.00 178.44 179.98 1lfl h GLY 69 N 1.94 0.54 0.97 0.83 0.00 -0.88 0.89 103.07 107.35 1lfl h GLY 69 Ca -0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1lfl h GLY 69 CO 0.06 0.36 -0.05 0.00 0.00 0.00 0.00 176.54 176.91 1lfl h ALA 70 N 0.83 0.55 -0.29 3.60 0.00 -0.68 -0.05 119.26 123.22 1lfl h ALA 70 Ca 0.08 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1lfl h ALA 70 Cb 0.42 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1lfl h ALA 70 CO 0.01 0.38 0.02 0.35 0.00 0.00 0.00 179.25 180.02 1lfl h PHE 71 N 0.57 0.02 -0.65 0.00 3.57 0.04 0.36 116.94 120.85 1lfl h PHE 71 Ca 0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1lfl h PHE 71 Cb 0.56 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1lfl h PHE 71 CO 0.04 -0.02 0.26 1.03 -2.23 0.00 0.00 178.31 177.39 1lfl h SER 72 N 0.11 0.87 -0.99 0.41 0.87 0.10 -1.42 113.55 113.50 1lfl h SER 72 Ca 0.14 -0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1lfl h SER 72 Cb 0.17 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 1lfl h SER 72 CO -0.21 0.78 0.64 -0.78 -0.53 0.00 0.00 176.83 176.72 1lfl h ASP 73 N 0.94 1.15 1.14 6.23 3.58 0.05 -1.21 116.42 128.30 1lfl h ASP 73 Ca 0.22 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1lfl h ASP 73 Cb 0.18 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 1lfl h ASP 73 CO -0.02 0.85 -0.03 1.23 -2.88 0.00 0.00 179.24 178.39 1lfl h GLY 74 N 1.35 0.00 1.40 -0.78 0.00 0.09 -2.89 103.07 102.23 1lfl h GLY 74 Ca 0.36 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.51 1lfl h GLY 74 CO -0.07 0.00 -0.63 1.41 0.00 0.00 0.00 176.54 177.24 1lfl h LEU 75 N 0.00 0.70 0.00 3.11 4.07 -0.59 -2.68 115.31 119.93 1lfl h LEU 75 Ca -0.00 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1lfl h LEU 75 Cb 0.61 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1lfl h LEU 75 CO 0.00 1.16 0.00 0.00 -1.08 0.00 0.00 178.44 178.52 1lfl n ALA 76 N -2.54 2.20 -2.75 1.53 0.00 -1.09 -2.89 120.51 114.96 1lfl n ALA 76 Ca -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 1lfl n ALA 76 Cb 0.66 -1.28 0.05 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.94 1.19 0.03 0.00 8.25 -1.02 -4.91 115.22 117.81 1lfl n HIS 77 Ca 0.13 -1.96 0.02 0.00 -0.26 0.00 0.00 57.72 55.65 1lfl n HIS 77 Cb 0.06 -0.23 0.08 0.00 1.12 0.00 0.00 29.99 31.02 1lfl n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1lfl n LEU 78 N -0.49 0.08 -0.60 2.41 4.32 -1.14 -0.54 117.00 121.03 1lfl n LEU 78 Ca 0.09 0.44 0.13 0.00 -0.02 0.00 0.00 56.01 56.65 1lfl n LEU 78 Cb 0.85 -0.44 0.41 0.00 -1.62 0.00 0.00 43.42 42.62 1lfl n LEU 78 CO 0.07 -0.47 0.80 0.47 -1.22 0.00 0.00 177.39 177.05 1lfl n ASP 79 N -1.53 1.86 -2.71 -1.43 10.43 -1.26 -3.80 116.55 118.11 1lfl n ASP 79 Ca -0.00 -1.65 -0.08 0.00 2.57 0.00 0.00 54.79 55.63 1lfl n ASP 79 Cb 0.12 -0.04 0.10 0.00 1.84 0.00 0.00 41.12 43.13 1lfl n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1lfl n ASN 80 N 0.45 -2.08 0.16 -2.24 5.15 0.30 -4.96 115.26 112.05 1lfl n ASN 80 Ca 0.18 -3.05 -0.14 0.00 -0.60 0.00 0.00 54.58 50.96 1lfl n ASN 80 Cb 0.40 1.51 -0.07 0.00 -0.53 0.00 0.00 39.78 41.08 1lfl n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1lfl h LEU 81 N 2.50 -0.37 -2.29 1.20 3.38 -1.76 -1.81 115.31 116.17 1lfl h LEU 81 Ca -0.20 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1lfl h LEU 81 Cb 1.19 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1lfl h LEU 81 CO 0.03 -0.24 0.23 0.11 0.09 0.00 0.00 178.44 178.66 1lfl h LYS 82 N -0.38 0.00 0.08 1.13 1.57 -1.91 -2.01 116.57 115.05 1lfl h LYS 82 Ca -0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 1lfl h LYS 82 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1lfl h LYS 82 CO 0.02 0.00 -0.85 0.78 -0.57 0.00 0.00 179.45 178.83 1lfl h GLY 83 N 0.00 0.19 1.89 3.86 0.00 -1.75 -2.97 103.07 104.30 1lfl h GLY 83 Ca 0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1lfl h GLY 83 CO -0.00 0.43 -0.15 -0.84 0.00 0.00 0.00 176.54 175.97 1lfl h THR 84 N -0.60 1.16 -0.02 4.70 2.02 -0.82 -3.12 112.91 116.23 1lfl h THR 84 Ca -0.18 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.28 1lfl h THR 84 Cb 1.47 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1lfl h THR 84 CO 0.04 0.22 -0.30 0.49 0.37 0.00 0.00 175.52 176.33 1lfl n PHE 85 N -4.29 0.00 -0.25 3.16 0.99 -0.81 -4.60 117.46 111.66 1lfl n PHE 85 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.43 1lfl n PHE 85 Cb 0.26 -0.02 0.06 0.00 -1.00 0.00 0.00 39.48 38.78 1lfl n PHE 85 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1lfl h ALA 86 N 4.09 0.31 -0.36 4.37 0.00 -1.45 0.34 119.26 126.55 1lfl h ALA 86 Ca 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1lfl h ALA 86 Cb 0.76 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1lfl h ALA 86 CO 0.00 -0.51 0.15 1.79 0.00 0.00 0.00 179.25 180.68 1lfl h THR 87 N -0.05 1.14 -0.12 0.00 1.35 -1.83 -2.42 112.91 110.98 1lfl h THR 87 Ca 0.32 -0.44 -0.19 0.00 -0.55 0.00 0.00 66.41 65.55 1lfl h THR 87 Cb 0.56 0.71 0.01 0.00 -1.73 0.00 0.00 68.15 67.70 1lfl h THR 87 CO -0.76 0.17 -0.67 -0.07 -0.25 0.00 0.00 175.52 173.94 1lfl h LEU 88 N 0.51 0.80 0.16 3.87 3.38 -0.82 -2.49 115.31 120.72 1lfl h LEU 88 Ca 0.13 -0.64 0.01 0.00 0.09 0.00 0.00 57.88 57.47 1lfl h LEU 88 Cb 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1lfl h LEU 88 CO -0.01 1.32 -0.27 -1.28 0.09 0.00 0.00 178.44 178.28 1lfl h SER 89 N 0.34 -0.75 -0.89 -0.43 0.87 -0.24 -0.47 113.55 111.97 1lfl h SER 89 Ca -0.05 0.08 0.11 0.00 -1.23 0.00 0.00 61.79 60.70 1lfl h SER 89 Cb 1.31 0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 63.48 1lfl h SER 89 CO 0.14 -0.37 0.58 -0.33 -0.53 0.00 0.00 176.83 176.32 1lfl h GLU 90 N -0.50 0.81 0.11 2.24 5.08 -1.50 -2.23 114.58 118.60 1lfl h GLU 90 Ca 0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1lfl h GLU 90 Cb 0.51 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1lfl h GLU 90 CO -0.13 0.54 -0.05 1.25 -1.00 0.00 0.00 179.01 179.62 1lfl h LEU 91 N 0.84 -0.12 -1.78 1.33 5.85 -0.82 -0.57 115.31 120.04 1lfl h LEU 91 Ca 0.43 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1lfl h LEU 91 Cb 0.49 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1lfl h LEU 91 CO -0.19 0.08 -0.16 0.45 -0.34 0.00 0.00 178.44 178.29 1lfl h HIS 92 N -0.33 0.00 0.00 1.25 3.86 -0.73 -0.80 115.15 118.41 1lfl h HIS 92 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1lfl h HIS 92 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1lfl h HIS 92 CO -0.01 0.16 -0.17 0.00 0.86 0.00 0.00 177.93 178.76 1lfl h ASP 94 N -0.67 0.23 0.00 0.00 3.32 -1.20 -2.85 116.42 115.25 1lfl h ASP 94 Ca 0.00 -0.34 -0.25 0.00 0.02 0.00 0.00 57.03 56.46 1lfl h ASP 94 Cb 0.17 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1lfl h ASP 94 CO 0.00 0.51 -1.44 0.29 -1.72 0.00 0.00 179.24 176.88 1lfl n LYS 95 N -4.76 0.56 0.16 3.56 4.76 -0.74 -4.53 118.16 117.16 1lfl n LYS 95 Ca -0.06 0.50 0.12 0.00 -2.87 0.00 0.00 58.31 56.00 1lfl n LYS 95 Cb 0.23 -1.68 0.16 0.00 -1.84 0.00 0.00 35.03 31.90 1lfl n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1lfl h LEU 96 N -1.00 0.00 -1.29 -0.35 3.38 -1.28 -3.48 115.31 111.30 1lfl h LEU 96 Ca -0.38 -0.02 -0.48 0.00 0.09 0.00 0.00 57.88 57.09 1lfl h LEU 96 Cb 1.28 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 1lfl h LEU 96 CO -0.23 0.01 -0.80 1.41 0.09 0.00 0.00 178.44 178.92 1lfl n HIS 97 N -2.78 -2.03 -3.04 1.13 8.25 0.10 -4.92 115.22 111.93 1lfl n HIS 97 Ca 0.03 0.85 -0.40 0.00 -0.26 0.00 0.00 57.72 57.94 1lfl n HIS 97 Cb 0.51 -3.83 -0.05 0.00 1.12 0.00 0.00 29.99 27.74 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 -3.46 4.99 -0.10 1.59 1.01 0.34 -4.97 120.40 119.78 1lfl s VAL 98 Ca 0.46 1.36 -0.29 0.00 0.00 0.00 0.00 61.98 63.51 1lfl s VAL 98 Cb -0.24 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1lfl s VAL 98 CO 0.85 0.12 1.80 -0.62 0.00 0.00 0.00 175.10 177.25 1lfl s ASP 99 N 1.10 6.36 0.63 3.32 3.68 -1.26 -4.68 116.67 125.81 1lfl s ASP 99 Ca 0.33 2.11 0.28 0.00 2.13 0.00 0.00 52.55 57.41 1lfl s ASP 99 Cb -0.16 -2.53 1.51 0.00 -1.45 0.00 0.00 42.92 40.29 1lfl s ASP 99 CO 0.12 -1.20 1.88 -0.65 0.13 0.00 0.00 175.17 175.45 1lfl h PRO 100 N 10.94 0.00 -0.16 4.34 0.11 -1.96 -0.24 132.00 145.03 1lfl h PRO 100 Ca -0.40 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.75 1lfl h PRO 100 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1lfl h PRO 100 CO 0.97 0.00 0.12 1.49 -0.21 0.00 0.00 178.00 180.37 1lfl h GLU 101 N 0.00 0.00 -0.24 1.05 4.57 -2.00 -0.45 114.58 117.51 1lfl h GLU 101 Ca 0.09 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1lfl h GLU 101 Cb 0.92 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 1lfl h GLU 101 CO -0.00 0.00 0.06 -0.91 -1.18 0.00 0.00 179.01 176.98 1lfl h ASN 102 N 0.00 0.30 -0.74 1.04 2.35 -1.41 -2.71 115.58 114.40 1lfl h ASN 102 Ca 0.08 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1lfl h ASN 102 Cb 0.32 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.57 1lfl h ASN 102 CO -0.00 0.31 0.46 -0.26 -1.65 0.00 0.00 177.43 176.29 1lfl h PHE 103 N 0.33 0.87 -0.55 1.19 0.04 -1.26 -0.97 116.94 116.59 1lfl h PHE 103 Ca 0.08 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 1lfl h PHE 103 Cb 0.13 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 1lfl h PHE 103 CO 0.00 0.50 0.18 0.00 -0.60 0.00 0.00 178.31 178.39 1lfl h ARG 104 N 0.91 0.81 -0.34 1.51 3.08 -1.58 -1.09 114.38 117.68 1lfl h ARG 104 Ca 0.30 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1lfl h ARG 104 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1lfl h ARG 104 CO -0.11 0.70 0.14 -0.07 -1.07 0.00 0.00 179.97 179.55 1lfl h LEU 105 N 0.79 0.46 -2.07 3.04 3.38 -1.28 -2.00 115.31 117.64 1lfl h LEU 105 Ca 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1lfl h LEU 105 Cb 0.22 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1lfl h LEU 105 CO -0.01 0.50 -0.07 0.25 0.09 0.00 0.00 178.44 179.20 1lfl h LEU 106 N 0.40 0.00 -0.29 1.67 5.85 -0.43 -2.16 115.31 120.35 1lfl h LEU 106 Ca 0.11 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.63 1lfl h LEU 106 Cb 0.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1lfl h LEU 106 CO -0.01 0.07 -0.84 1.23 -0.34 0.00 0.00 178.44 178.54 1lfl h GLY 107 N 0.31 0.40 2.00 3.75 0.00 -0.54 -2.40 103.07 106.60 1lfl h GLY 107 Ca -0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 47.33 46.49 1lfl h GLY 107 CO 0.01 0.57 -0.90 3.43 0.00 0.00 0.00 176.54 179.65 1lfl h ASN 108 N 0.22 0.00 0.31 0.19 2.35 -0.83 -2.76 115.58 115.06 1lfl h ASN 108 Ca -0.05 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.53 1lfl h ASN 108 Cb 1.45 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.82 1lfl h ASN 108 CO 0.14 0.90 -0.68 0.58 -1.65 0.00 0.00 177.43 176.72 1lfl h VAL 109 N 0.00 1.39 -0.24 2.81 2.07 -1.45 -2.83 116.25 118.00 1lfl h VAL 109 Ca -0.01 -2.10 -0.00 0.00 0.82 0.00 0.00 66.70 65.41 1lfl h VAL 109 Cb 1.64 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 1lfl h VAL 109 CO 0.12 0.63 0.15 0.25 0.02 0.00 0.00 177.57 178.73 1lfl h LEU 110 N 0.24 0.28 -1.39 2.57 5.85 -1.37 -0.85 115.31 120.63 1lfl h LEU 110 Ca -0.02 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1lfl h LEU 110 Cb 1.23 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1lfl h LEU 110 CO 0.11 0.24 0.22 0.58 -0.34 0.00 0.00 178.44 179.24 1lfl h VAL 111 N 0.30 1.16 -0.20 1.05 2.07 -1.46 0.50 116.25 119.66 1lfl h VAL 111 Ca 0.08 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1lfl h VAL 111 Cb 0.00 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1lfl h VAL 111 CO -0.02 0.18 0.05 0.00 0.02 0.00 0.00 177.57 177.80 1lfl h VAL 113 N 0.14 0.93 -0.60 0.00 2.07 -0.35 0.43 116.25 118.87 1lfl h VAL 113 Ca 0.06 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1lfl h VAL 113 Cb 0.26 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1lfl h VAL 113 CO 0.00 0.02 0.40 -0.07 0.02 0.00 0.00 177.57 177.94 1lfl h LEU 114 N 0.11 0.61 -0.08 2.57 3.38 -0.83 0.18 115.31 121.25 1lfl h LEU 114 Ca 0.07 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.84 1lfl h LEU 114 Cb 0.06 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1lfl h LEU 114 CO -0.09 0.42 -0.73 0.00 0.09 0.00 0.00 178.44 178.13 1lfl h ALA 115 N 1.65 0.20 -0.30 1.53 0.00 -0.62 -0.14 119.26 121.58 1lfl h ALA 115 Ca 0.24 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1lfl h ALA 115 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1lfl h ALA 115 CO -0.06 0.55 -0.17 1.25 0.00 0.00 0.00 179.25 180.82 1lfl h HIS 116 N 0.30 0.58 0.05 0.00 -0.00 0.26 0.10 115.15 116.44 1lfl h HIS 116 Ca -0.07 -0.10 -0.11 0.00 -0.00 0.00 0.00 60.37 60.09 1lfl h HIS 116 Cb 1.38 -0.15 0.01 0.00 -0.00 0.00 0.00 27.41 28.65 1lfl h HIS 116 CO 0.11 0.67 -0.47 1.25 -0.00 0.00 0.00 177.93 179.49 1lfl h HIS 117 N 0.48 0.38 0.00 5.26 6.17 -0.60 -3.36 115.15 123.49 1lfl h HIS 117 Ca 0.08 -0.24 0.00 0.00 0.71 0.00 0.00 60.37 60.92 1lfl h HIS 117 Cb 0.57 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.47 1lfl h HIS 117 CO 0.02 1.12 -0.55 1.19 0.71 0.00 0.00 177.93 180.42 1lfl n PHE 118 N -4.34 0.02 0.00 5.26 3.01 -0.07 -5.03 117.46 116.31 1lfl n PHE 118 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1lfl n PHE 118 Cb 0.64 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 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 1.49 3.80 0.10 1.37 0.00 0.02 -2.41 105.19 109.56 1lfl n GLY 119 Ca 0.05 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1lfl n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1lfl n LYS 120 N 14.00 0.11 0.21 1.61 2.85 -1.26 -1.56 118.16 134.13 1lfl n LYS 120 Ca 0.00 0.48 0.11 0.00 -1.05 0.00 0.00 58.31 57.85 1lfl n LYS 120 Cb 0.00 -1.78 0.24 0.00 -0.65 0.00 0.00 35.03 32.84 1lfl n LYS 120 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1lfl h GLU 121 N 0.00 0.00 -3.93 -1.58 4.81 -1.86 -3.34 114.58 108.68 1lfl h GLU 121 Ca 0.00 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 1lfl h GLU 121 Cb 0.17 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.47 1lfl h GLU 121 CO 0.00 0.12 2.68 0.34 -0.73 0.00 0.00 179.01 181.42 1lfl n PHE 122 N -3.15 3.42 -1.41 0.92 7.35 -0.60 -4.95 117.46 119.04 1lfl n PHE 122 Ca 0.03 -2.92 -0.33 0.00 -0.76 0.00 0.00 57.45 53.47 1lfl n PHE 122 Cb 0.53 -2.35 0.09 0.00 0.35 0.00 0.00 39.48 38.10 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 2.26 2.82 0.26 -2.13 -4.23 -1.26 -4.69 115.64 108.67 1lfl s THR 123 Ca 0.45 0.35 -0.03 0.00 -1.18 0.00 0.00 61.69 61.27 1lfl s THR 123 Cb 0.12 -2.80 0.25 0.00 1.34 0.00 0.00 72.50 71.41 1lfl s THR 123 CO -0.05 -0.27 1.68 -0.65 -0.54 0.00 0.00 174.62 174.79 1lfl h PRO 124 N -0.58 0.25 -0.85 3.99 0.11 -1.93 0.52 132.00 133.51 1lfl h PRO 124 Ca -0.46 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.65 1lfl h PRO 124 Cb 1.26 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1lfl h PRO 124 CO 0.50 0.17 0.56 -1.35 -0.21 0.00 0.00 178.00 177.67 1lfl h PRO 125 N 0.26 1.10 -0.46 1.05 0.11 -1.99 -0.68 132.00 131.39 1lfl h PRO 125 Ca 0.45 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 66.39 1lfl h PRO 125 Cb 0.80 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1lfl h PRO 125 CO -0.55 0.72 -0.12 0.28 -0.21 0.00 0.00 178.00 178.13 1lfl h VAL 126 N 1.13 1.27 -0.67 3.15 2.07 -1.31 -2.45 116.25 119.44 1lfl h VAL 126 Ca 0.32 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 1lfl h VAL 126 Cb -0.09 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1lfl h VAL 126 CO -0.08 0.43 0.40 -0.61 0.02 0.00 0.00 177.57 177.74 1lfl h GLN 127 N 0.74 0.91 -0.64 1.57 4.15 -0.51 -0.98 115.11 120.35 1lfl h GLN 127 Ca 0.12 -0.08 0.09 0.00 0.77 0.00 0.00 58.65 59.54 1lfl h GLN 127 Cb 0.67 -0.19 -0.07 0.00 0.21 0.00 0.00 27.48 28.11 1lfl h GLN 127 CO 0.05 0.65 0.30 0.00 -1.93 0.00 0.00 178.83 177.90 1lfl h ALA 128 N 1.21 0.86 -0.33 3.38 0.00 -0.90 0.46 119.26 123.95 1lfl h ALA 128 Ca 0.24 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1lfl h ALA 128 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1lfl h ALA 128 CO -0.05 -0.10 0.01 0.00 0.00 0.00 0.00 179.25 179.12 1lfl h ALA 129 N 1.40 0.44 -0.00 0.00 0.00 -0.96 -2.53 119.26 117.61 1lfl h ALA 129 Ca 0.32 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1lfl h ALA 129 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1lfl h ALA 129 CO -0.26 0.18 -0.24 1.88 0.00 0.00 0.00 179.25 180.80 1lfl h TYR 130 N 0.38 0.00 -0.50 0.00 0.05 -0.27 -1.71 116.97 114.92 1lfl h TYR 130 Ca 0.09 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 1lfl h TYR 130 Cb 0.42 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 1lfl h TYR 130 CO 0.03 0.25 0.24 1.96 -1.05 0.00 0.00 178.16 179.59 1lfl h GLN 131 N 0.00 0.72 -0.55 4.88 1.08 0.28 -1.10 115.11 120.43 1lfl h GLN 131 Ca -0.00 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 1lfl h GLN 131 Cb 0.43 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 1lfl h GLN 131 CO 0.03 0.60 0.31 0.87 -0.95 0.00 0.00 178.83 179.70 1lfl h LYS 132 N 0.67 0.76 0.55 1.46 1.57 -1.02 -2.08 116.57 118.48 1lfl h LYS 132 Ca 0.17 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1lfl h LYS 132 Cb 0.12 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.28 1lfl h LYS 132 CO -0.02 0.58 -0.27 0.28 -0.57 0.00 0.00 179.45 179.45 1lfl h VAL 133 N 0.74 0.00 -0.90 0.50 2.07 -0.91 0.15 116.25 117.90 1lfl h VAL 133 Ca 0.20 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.98 1lfl h VAL 133 Cb 0.03 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.76 1lfl h VAL 133 CO -0.03 0.00 0.65 -0.37 0.02 0.00 0.00 177.57 177.84 1lfl h VAL 134 N -0.74 0.54 -0.15 2.57 -1.51 -1.24 1.04 116.25 116.76 1lfl h VAL 134 Ca -0.08 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 65.21 1lfl h VAL 134 Cb 0.57 0.55 0.01 0.00 -2.13 0.00 0.00 31.29 30.28 1lfl h VAL 134 CO 0.12 0.00 -0.64 0.00 -1.23 0.00 0.00 177.57 175.82 1lfl h ALA 135 N 1.54 0.28 -0.17 5.19 0.00 -1.15 -2.24 119.26 122.71 1lfl h ALA 135 Ca 0.43 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1lfl h ALA 135 Cb 1.73 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1lfl h ALA 135 CO -0.00 0.56 0.09 0.78 0.00 0.00 0.00 179.25 180.68 1lfl h GLY 136 N 0.40 0.26 1.02 0.00 0.00 0.39 -1.96 103.07 103.18 1lfl h GLY 136 Ca -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1lfl h GLY 136 CO 0.13 0.11 0.45 -2.08 0.00 0.00 0.00 176.54 175.16 1lfl h VAL 137 N 0.16 1.24 -0.81 4.60 2.07 -0.49 -2.17 116.25 120.85 1lfl h VAL 137 Ca 0.06 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1lfl h VAL 137 Cb 0.09 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 1lfl h VAL 137 CO -0.01 0.27 0.47 0.00 0.02 0.00 0.00 177.57 178.32 1lfl h ALA 138 N 1.24 1.30 -0.46 1.67 0.00 -1.17 -1.98 119.26 119.85 1lfl h ALA 138 Ca 0.29 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1lfl h ALA 138 Cb 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1lfl h ALA 138 CO -0.05 0.59 -0.01 -0.91 0.00 0.00 0.00 179.25 178.87 1lfl h ASN 139 N 1.13 0.82 -0.28 0.00 4.21 -0.98 -2.39 115.58 118.08 1lfl h ASN 139 Ca 0.29 -0.31 0.05 0.00 1.21 0.00 0.00 56.30 57.54 1lfl h ASN 139 Cb -0.02 -0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 36.92 1lfl h ASN 139 CO -0.05 0.93 -0.01 0.00 -1.29 0.00 0.00 177.43 177.01 1lfl h ALA 140 N 0.91 0.24 0.00 -0.83 0.00 -0.93 -1.11 119.26 117.54 1lfl h ALA 140 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1lfl h ALA 140 Cb 0.52 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1lfl h ALA 140 CO 0.03 -0.42 -0.05 -0.07 0.00 0.00 0.00 179.25 178.73 1lfl h LEU 141 N 0.07 0.00 -0.80 0.00 3.38 -1.15 -2.49 115.31 114.32 1lfl h LEU 141 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1lfl h LEU 141 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1lfl h LEU 141 CO -0.24 0.05 -0.49 0.00 0.09 0.00 0.00 178.44 177.85 1lfl n ALA 142 N -2.18 3.57 0.06 1.53 0.00 -0.92 -4.27 120.51 118.31 1lfl n ALA 142 Ca -0.02 -0.59 0.21 0.00 0.00 0.00 0.00 53.44 53.04 1lfl n ALA 142 Cb 0.21 -0.69 0.74 0.00 0.00 0.00 0.00 19.45 19.70 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 1.82 0.00 -0.27 0.00 6.17 -0.73 -2.38 115.15 119.75 1lfl h HIS 143 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 60.37 60.98 1lfl h HIS 143 Cb 0.63 0.00 -0.06 0.00 2.52 0.00 0.00 27.41 30.50 1lfl h HIS 143 CO 0.00 0.00 -0.07 1.63 0.71 0.00 0.00 177.93 180.20 1lfl n LYS 144 N -3.89 2.08 -2.92 5.26 5.02 -1.26 -5.01 118.16 117.43 1lfl n LYS 144 Ca 0.08 -3.04 -0.34 0.00 -2.02 0.00 0.00 58.31 53.00 1lfl n LYS 144 Cb 0.62 -1.78 -0.07 0.00 -0.02 0.00 0.00 35.03 33.78 1lfl n LYS 144 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1lfl s TYR 145 N -3.09 3.44 0.00 2.13 2.02 -0.90 -4.66 117.35 116.29 1lfl s TYR 145 Ca 0.42 1.52 0.00 0.00 -0.37 0.00 0.00 57.07 58.64 1lfl s TYR 145 Cb 0.37 -2.76 0.00 0.00 -0.40 0.00 0.00 41.96 39.17 1lfl s TYR 145 CO 0.02 0.06 0.00 -2.39 -1.57 0.00 0.00 175.55 171.67