#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1m s HIS 2 N 0.00 3.15 -0.01 3.17 2.46 -1.26 -4.46 115.29 118.34 1o1m s HIS 2 Ca 0.00 -0.12 0.01 0.00 0.47 0.00 0.00 55.06 55.43 1o1m s HIS 2 Cb 0.00 -2.04 -0.00 0.00 -0.13 0.00 0.00 32.58 30.40 1o1m s HIS 2 CO 0.00 0.04 -0.05 -0.51 -2.47 0.00 0.00 174.74 171.75 1o1m s LEU 3 N 0.46 1.97 0.86 8.88 1.43 -1.26 -5.10 118.68 125.92 1o1m s LEU 3 Ca 0.00 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 1o1m s LEU 3 Cb -0.13 -0.26 0.07 0.00 0.03 0.00 0.00 46.19 45.90 1o1m s LEU 3 CO 0.02 0.05 0.89 0.35 0.23 0.00 0.00 176.35 177.89 1o1m n THR 4 N 3.01 1.01 -0.34 5.49 -2.24 -1.26 -4.72 114.28 115.23 1o1m n THR 4 Ca -0.13 -0.18 0.12 0.00 -2.27 0.00 0.00 64.05 61.59 1o1m n THR 4 Cb 0.58 -0.94 0.31 0.00 -2.10 0.00 0.00 70.33 68.18 1o1m n THR 4 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1o1m h PRO 5 N -1.23 0.70 -0.22 -0.78 0.10 -2.01 -1.17 132.00 127.39 1o1m h PRO 5 Ca -0.45 -0.04 -0.02 0.00 0.10 0.00 0.00 66.00 65.59 1o1m h PRO 5 Cb 1.29 -0.16 -0.01 0.00 0.10 0.00 0.00 31.00 32.23 1o1m h PRO 5 CO 0.41 0.46 0.07 0.93 0.10 0.00 0.00 178.00 179.97 1o1m h GLU 6 N 0.72 0.34 -0.04 1.05 3.07 -1.99 -0.59 114.58 117.14 1o1m h GLU 6 Ca 0.57 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1o1m h GLU 6 Cb 0.89 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1o1m h GLU 6 CO -0.39 0.43 0.02 0.93 -1.40 0.00 0.00 179.01 178.60 1o1m h GLU 7 N 0.18 0.05 -0.52 2.33 5.08 -1.75 -0.55 114.58 119.40 1o1m h GLU 7 Ca 0.07 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1o1m h GLU 7 Cb 0.23 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1o1m h GLU 7 CO -0.00 0.04 -0.06 -0.22 -1.00 0.00 0.00 179.01 177.77 1o1m h LYS 8 N 0.04 0.94 -0.84 2.33 3.64 -1.21 -1.50 116.57 119.96 1o1m h LYS 8 Ca 0.01 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1o1m h LYS 8 Cb 0.01 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 1o1m h LYS 8 CO -0.00 0.97 0.50 0.77 -2.27 0.00 0.00 179.45 179.42 1o1m h SER 9 N 0.85 1.01 -0.74 4.20 0.02 -0.93 -1.26 113.55 116.70 1o1m h SER 9 Ca 0.14 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1o1m h SER 9 Cb 0.59 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1o1m h SER 9 CO 0.04 0.78 0.25 0.00 -1.14 0.00 0.00 176.83 176.76 1o1m h ALA 10 N 1.27 0.97 -0.33 3.77 0.00 -0.68 -1.99 119.26 122.27 1o1m h ALA 10 Ca 0.30 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1o1m h ALA 10 Cb -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1o1m h ALA 10 CO -0.06 0.65 -0.11 0.28 0.00 0.00 0.00 179.25 180.01 1o1m h VAL 11 N 1.10 1.28 -0.38 0.00 2.07 -0.93 -2.82 116.25 116.58 1o1m h VAL 11 Ca 0.24 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 1o1m h VAL 11 Cb 0.29 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1o1m h VAL 11 CO -0.01 0.39 0.02 0.74 0.02 0.00 0.00 177.57 178.73 1o1m h THR 12 N 0.44 1.25 -0.14 2.57 2.02 -1.15 -1.79 112.91 116.12 1o1m h THR 12 Ca 0.08 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 1o1m h THR 12 Cb 0.63 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1o1m h THR 12 CO 0.04 0.32 0.01 0.00 0.37 0.00 0.00 175.52 176.26 1o1m h ALA 13 N 0.89 0.18 -0.86 6.16 0.00 -1.40 -2.78 119.26 121.45 1o1m h ALA 13 Ca 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1o1m h ALA 13 Cb 0.43 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1o1m h ALA 13 CO 0.02 -0.14 0.53 1.25 0.00 0.00 0.00 179.25 180.91 1o1m h LEU 14 N -0.00 1.02 -1.61 0.00 7.12 -1.49 -2.84 115.31 117.51 1o1m h LEU 14 Ca 0.04 -0.06 -0.03 0.00 0.13 0.00 0.00 57.88 57.96 1o1m h LEU 14 Cb 0.33 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 40.19 1o1m h LEU 14 CO 0.00 0.78 -0.16 -0.25 -0.13 0.00 0.00 178.44 178.68 1o1m h TRP 15 N 1.18 0.00 -0.03 1.25 2.91 -1.06 -1.49 115.95 118.71 1o1m h TRP 15 Ca 0.31 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.34 1o1m h TRP 15 Cb -0.07 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.58 1o1m h TRP 15 CO -0.00 0.16 0.04 0.78 -1.03 0.00 0.00 178.44 178.39 1o1m h GLY 16 N 1.34 0.00 -0.32 2.65 0.00 -1.27 -1.99 103.07 103.48 1o1m h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1o1m h GLY 16 CO 0.02 0.00 -0.33 0.28 0.00 0.00 0.00 176.54 176.51 1o1m n LYS 17 N -3.84 1.04 -2.82 4.80 5.02 -0.56 -4.93 118.16 116.87 1o1m n LYS 17 Ca -0.02 -0.74 -0.42 0.00 -2.02 0.00 0.00 58.31 55.11 1o1m n LYS 17 Cb 0.13 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1o1m n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1o1m s VAL 18 N -2.46 4.80 -0.70 -0.18 1.01 -0.75 -4.99 120.40 117.13 1o1m s VAL 18 Ca 0.23 1.72 -0.26 0.00 0.00 0.00 0.00 61.98 63.66 1o1m s VAL 18 Cb 0.19 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 1o1m s VAL 18 CO 0.53 -0.08 1.68 0.21 0.00 0.00 0.00 175.10 177.44 1o1m s ASN 19 N 1.26 5.59 0.29 3.32 3.84 -1.26 -4.87 114.94 123.11 1o1m s ASN 19 Ca 0.38 -0.10 -0.01 0.00 0.21 0.00 0.00 52.86 53.35 1o1m s ASN 19 Cb -0.16 -2.54 0.48 0.00 -0.55 0.00 0.00 41.25 38.48 1o1m s ASN 19 CO 0.08 -2.21 1.91 0.58 -2.79 0.00 0.00 177.10 174.67 1o1m h VAL 20 N 6.67 1.10 0.28 -5.21 2.07 -1.95 -0.39 116.25 118.81 1o1m h VAL 20 Ca -0.20 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1o1m h VAL 20 Cb 1.10 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1o1m h VAL 20 CO 1.25 0.20 -0.46 0.44 0.02 0.00 0.00 177.57 179.01 1o1m h ASP 21 N 1.09 -1.32 -0.21 0.57 3.32 -1.91 -2.28 116.42 115.68 1o1m h ASP 21 Ca 0.39 0.13 -0.19 0.00 0.02 0.00 0.00 57.03 57.38 1o1m h ASP 21 Cb 0.14 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1o1m h ASP 21 CO -0.14 -0.57 -0.60 -0.33 -1.72 0.00 0.00 179.24 175.88 1o1m h GLU 22 N -0.81 0.78 -0.12 3.56 4.39 -1.79 -3.20 114.58 117.39 1o1m h GLU 22 Ca -0.02 -0.56 -0.11 0.00 0.34 0.00 0.00 59.36 59.01 1o1m h GLU 22 Cb 0.76 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1o1m h GLU 22 CO -0.17 1.18 -0.43 0.28 -1.16 0.00 0.00 179.01 178.71 1o1m h VAL 23 N 0.51 1.32 -0.49 3.13 2.07 -1.11 -2.12 116.25 119.56 1o1m h VAL 23 Ca -0.02 -1.58 -0.07 0.00 0.82 0.00 0.00 66.70 65.86 1o1m h VAL 23 Cb 1.22 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1o1m h VAL 23 CO 0.13 0.47 0.04 1.23 0.02 0.00 0.00 177.57 179.46 1o1m h GLY 24 N 1.23 0.90 1.39 2.17 0.00 -1.46 -1.05 103.07 106.26 1o1m h GLY 24 Ca 0.02 -0.63 -0.18 0.00 0.00 0.00 0.00 47.33 46.54 1o1m h GLY 24 CO 0.07 0.58 -0.63 -1.33 0.00 0.00 0.00 176.54 175.23 1o1m h GLY 25 N 0.70 0.69 0.94 4.60 0.00 -1.53 -2.15 103.07 106.32 1o1m h GLY 25 Ca 0.14 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 1o1m h GLY 25 CO 0.02 0.77 0.14 -2.09 0.00 0.00 0.00 176.54 175.38 1o1m h GLU 26 N 0.46 0.41 -0.31 4.80 4.57 -1.29 -0.68 114.58 122.54 1o1m h GLU 26 Ca -0.01 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.07 1o1m h GLU 26 Cb 1.20 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1o1m h GLU 26 CO 0.12 0.38 0.03 0.00 -1.18 0.00 0.00 179.01 178.36 1o1m h ALA 27 N 1.00 0.42 -0.44 2.92 0.00 -1.20 -1.24 119.26 120.73 1o1m h ALA 27 Ca 0.10 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1o1m h ALA 27 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1o1m h ALA 27 CO -0.01 0.14 -0.16 1.25 0.00 0.00 0.00 179.25 180.47 1o1m h LEU 28 N 0.35 0.84 -0.37 0.00 5.85 -1.37 -1.81 115.31 118.80 1o1m h LEU 28 Ca 0.09 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1o1m h LEU 28 Cb 0.39 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1o1m h LEU 28 CO 0.01 1.00 0.18 1.23 -0.34 0.00 0.00 178.44 180.53 1o1m h GLY 29 N 0.96 0.56 1.72 3.75 0.00 -0.94 -2.13 103.07 107.00 1o1m h GLY 29 Ca 0.11 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 1o1m h GLY 29 CO 0.05 0.26 -0.18 3.21 0.00 0.00 0.00 176.54 179.88 1o1m h ARG 30 N 0.46 0.33 -0.26 4.80 3.08 -1.13 -1.68 114.38 119.98 1o1m h ARG 30 Ca 0.13 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.09 1o1m h ARG 30 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1o1m h ARG 30 CO -0.02 0.51 0.15 1.25 -1.07 0.00 0.00 179.97 180.80 1o1m h LEU 31 N 0.31 0.25 -1.52 3.04 5.85 -0.90 0.20 115.31 122.53 1o1m h LEU 31 Ca 0.06 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1o1m h LEU 31 Cb 0.50 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1o1m h LEU 31 CO 0.03 0.18 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.00 1o1m h LEU 32 N 0.32 0.00 0.14 2.25 3.38 -0.86 0.89 115.31 121.43 1o1m h LEU 32 Ca 0.10 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.75 1o1m h LEU 32 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1o1m h LEU 32 CO -0.05 0.25 -1.67 0.58 0.09 0.00 0.00 178.44 177.64 1o1m h VAL 33 N 0.00 0.90 0.17 1.22 2.07 -1.02 -3.30 116.25 116.29 1o1m h VAL 33 Ca -0.00 -2.43 -0.30 0.00 0.82 0.00 0.00 66.70 64.79 1o1m h VAL 33 Cb 0.50 2.68 0.02 0.00 -1.52 0.00 0.00 31.29 32.96 1o1m h VAL 33 CO 0.03 0.80 -1.32 0.58 0.02 0.00 0.00 177.57 177.68 1o1m h VAL 34 N -0.08 1.42 -2.71 2.57 2.07 -0.51 -3.38 116.25 115.64 1o1m h VAL 34 Ca -0.35 -2.93 -0.61 0.00 0.82 0.00 0.00 66.70 63.63 1o1m h VAL 34 Cb 1.95 2.98 -0.41 0.00 -1.52 0.00 0.00 31.29 34.28 1o1m h VAL 34 CO 0.11 0.86 -0.64 -1.22 0.02 0.00 0.00 177.57 176.70 1o1m n TYR 35 N -3.60 2.81 0.29 1.57 4.01 0.30 -4.97 117.16 117.57 1o1m n TYR 35 Ca -0.11 -4.14 0.14 0.00 -0.16 0.00 0.00 57.90 53.62 1o1m n TYR 35 Cb 1.05 -0.51 0.65 0.00 -0.31 0.00 0.00 39.34 40.22 1o1m n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1o1m h PRO 36 N 5.00 0.00 0.00 -0.72 0.13 -1.75 -0.53 132.00 134.13 1o1m h PRO 36 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1o1m h PRO 36 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1o1m h PRO 36 CO 0.71 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.59 1o1m h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -0.87 115.95 114.81 1o1m h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1o1m h TRP 37 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.46 1o1m h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1o1m n THR 38 N -2.33 0.85 0.31 0.12 -2.24 -0.21 -2.64 114.28 108.12 1o1m n THR 38 Ca 0.01 0.20 0.14 0.00 -2.27 0.00 0.00 64.05 62.13 1o1m n THR 38 Cb 0.19 -0.98 0.63 0.00 -2.10 0.00 0.00 70.33 68.06 1o1m n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1o1m h GLN 39 N 0.00 0.00 -0.09 -0.78 4.20 -1.35 -2.95 115.11 114.14 1o1m h GLN 39 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1o1m h GLN 39 Cb 0.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1o1m h GLN 39 CO 0.00 0.00 0.25 0.07 -0.67 0.00 0.00 178.83 178.48 1o1m h ARG 40 N 0.00 0.00 -0.02 1.46 0.11 -1.72 -1.67 114.38 112.55 1o1m h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1o1m h ARG 40 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 1o1m h ARG 40 CO 0.00 0.00 -0.20 1.19 0.10 0.00 0.00 179.97 181.06 1o1m n PHE 41 N -3.21 0.00 -2.38 4.08 3.72 -1.12 -4.42 117.46 114.13 1o1m n PHE 41 Ca -0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 1o1m n PHE 41 Cb 0.33 -0.04 0.06 0.00 -0.94 0.00 0.00 39.48 38.89 1o1m n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o1m n PHE 42 N 0.10 1.24 0.27 1.38 3.72 -0.63 -4.85 117.46 118.69 1o1m n PHE 42 Ca 0.14 -1.75 0.11 0.00 -0.05 0.00 0.00 57.45 55.90 1o1m n PHE 42 Cb 0.43 -0.25 0.74 0.00 -0.94 0.00 0.00 39.48 39.46 1o1m n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1o1m h GLU 43 N 1.95 0.00 -0.01 -1.08 4.39 -1.77 -1.23 114.58 116.84 1o1m h GLU 43 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1o1m h GLU 43 Cb 1.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 1o1m h GLU 43 CO 0.30 0.06 0.00 -1.13 -1.16 0.00 0.00 179.01 177.07 1o1m n SER 44 N -4.05 0.67 0.00 1.42 3.41 -1.26 -3.56 113.62 110.25 1o1m n SER 44 Ca -0.03 -1.23 0.13 0.00 -0.26 0.00 0.00 58.87 57.48 1o1m n SER 44 Cb 0.15 -0.00 0.66 0.00 -0.26 0.00 0.00 64.21 64.75 1o1m n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1o1m n PHE 45 N -0.47 0.00 -1.71 7.33 3.01 -0.46 -5.00 117.46 120.16 1o1m n PHE 45 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.68 1o1m n PHE 45 Cb 0.22 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 1o1m n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o1m n GLY 46 N 1.07 0.50 3.63 1.37 0.00 -1.23 -4.78 105.19 105.74 1o1m n GLY 46 Ca 0.12 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 1o1m n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o1m s ASP 47 N -4.00 6.71 -0.05 1.61 2.15 -1.26 -4.87 116.67 116.96 1o1m s ASP 47 Ca 0.00 1.23 0.10 0.00 0.43 0.00 0.00 52.55 54.31 1o1m s ASP 47 Cb 0.00 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.25 1o1m s ASP 47 CO 0.00 -1.05 1.08 0.18 -0.17 0.00 0.00 175.17 175.22 1o1m n LEU 48 N 7.51 0.97 -0.08 -1.34 4.77 -1.26 -4.37 117.00 123.20 1o1m n LEU 48 Ca 0.14 -1.92 -0.06 0.00 -0.03 0.00 0.00 56.01 54.15 1o1m n LEU 48 Cb 0.46 -0.15 0.13 0.00 -2.33 0.00 0.00 43.42 41.53 1o1m n LEU 48 CO 0.62 0.50 0.77 0.77 -1.33 0.00 0.00 177.39 178.72 1o1m h SER 49 N 0.23 0.72 -3.14 -1.43 4.64 -1.92 -3.42 113.55 109.23 1o1m h SER 49 Ca -0.03 -0.23 -0.56 0.00 -0.47 0.00 0.00 61.79 60.49 1o1m h SER 49 Cb 1.34 -0.20 -0.17 0.00 -0.31 0.00 0.00 62.40 63.07 1o1m h SER 49 CO 0.02 0.89 -0.78 0.42 -0.87 0.00 0.00 176.83 176.50 1o1m s THR 50 N -4.72 2.08 0.17 2.95 -4.23 -1.26 -5.02 115.64 105.60 1o1m s THR 50 Ca -0.09 -2.08 -0.19 0.00 -1.18 0.00 0.00 61.69 58.15 1o1m s THR 50 Cb 0.14 -2.03 0.10 0.00 1.34 0.00 0.00 72.50 72.04 1o1m s THR 50 CO 0.82 -0.32 1.64 -0.65 -0.54 0.00 0.00 174.62 175.57 1o1m h PRO 51 N 2.95 -0.10 -0.72 3.99 0.11 -1.98 0.20 132.00 136.44 1o1m h PRO 51 Ca -0.42 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.73 1o1m h PRO 51 Cb 1.22 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 1o1m h PRO 51 CO 0.53 -0.07 0.44 -0.44 -0.21 0.00 0.00 178.00 178.26 1o1m h ASP 52 N -0.11 0.72 -0.66 -2.05 5.19 -1.97 0.19 116.42 117.73 1o1m h ASP 52 Ca 0.20 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.65 1o1m h ASP 52 Cb 0.41 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.73 1o1m h ASP 52 CO -0.47 0.49 0.40 0.00 -3.12 0.00 0.00 179.24 176.53 1o1m h ALA 53 N 1.32 0.86 -0.08 3.45 0.00 -1.60 -2.42 119.26 120.79 1o1m h ALA 53 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1o1m h ALA 53 Cb 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1o1m h ALA 53 CO -0.13 0.13 0.03 0.28 0.00 0.00 0.00 179.25 179.57 1o1m h VAL 54 N 0.77 1.15 -0.04 0.00 2.07 0.70 -2.56 116.25 118.34 1o1m h VAL 54 Ca 0.27 -0.46 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 1o1m h VAL 54 Cb 0.06 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1o1m h VAL 54 CO -0.12 0.13 -0.47 0.24 0.02 0.00 0.00 177.57 177.37 1o1m h MET 55 N -0.04 0.09 -0.14 1.57 2.86 -0.51 -2.45 114.93 116.31 1o1m h MET 55 Ca 0.03 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1o1m h MET 55 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1o1m h MET 55 CO -0.00 0.54 0.00 0.41 1.06 0.00 0.00 176.91 178.92 1o1m n GLY 56 N -0.13 0.68 3.69 8.32 0.00 -0.93 -4.88 105.19 111.94 1o1m n GLY 56 Ca -0.02 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1o1m n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o1m s ASN 57 N -1.77 6.73 0.30 1.61 3.84 -0.92 -4.89 114.94 119.84 1o1m s ASN 57 Ca 0.34 2.30 0.06 0.00 0.21 0.00 0.00 52.86 55.77 1o1m s ASN 57 Cb 0.20 -2.56 0.47 0.00 -0.55 0.00 0.00 41.25 38.81 1o1m s ASN 57 CO 0.30 -0.80 1.72 1.55 -2.79 0.00 0.00 177.10 177.08 1o1m h PRO 58 N 8.09 0.28 0.00 0.43 0.13 -1.91 -2.35 132.00 136.68 1o1m h PRO 58 Ca -0.40 -0.12 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 1o1m h PRO 58 Cb 1.19 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1o1m h PRO 58 CO 0.92 0.61 -0.52 0.87 -0.23 0.00 0.00 178.00 179.65 1o1m h LYS 59 N 0.24 0.00 -0.33 0.86 1.57 -1.90 -1.82 116.57 115.20 1o1m h LYS 59 Ca 0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1o1m h LYS 59 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1o1m h LYS 59 CO 0.06 0.52 0.07 0.28 -0.57 0.00 0.00 179.45 179.81 1o1m h VAL 60 N 0.00 1.22 -0.47 0.50 2.07 -1.80 -1.40 116.25 116.37 1o1m h VAL 60 Ca -0.01 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 1o1m h VAL 60 Cb 1.03 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1o1m h VAL 60 CO 0.07 0.25 0.10 0.11 0.02 0.00 0.00 177.57 178.13 1o1m h LYS 61 N 0.37 0.76 -0.50 1.57 1.57 -1.17 -0.15 116.57 119.02 1o1m h LYS 61 Ca 0.10 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1o1m h LYS 61 Cb 0.31 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1o1m h LYS 61 CO 0.00 0.76 0.10 0.00 -0.57 0.00 0.00 179.45 179.74 1o1m h ALA 62 N 0.97 0.66 -0.24 3.86 0.00 -1.30 -2.19 119.26 121.03 1o1m h ALA 62 Ca 0.15 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1o1m h ALA 62 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1o1m h ALA 62 CO 0.00 0.38 -0.39 1.25 0.00 0.00 0.00 179.25 180.49 1o1m h HIS 63 N 0.70 0.65 -0.61 0.00 -0.00 -1.15 -2.85 115.15 111.89 1o1m h HIS 63 Ca 0.15 -0.19 0.12 0.00 -0.00 0.00 0.00 60.37 60.46 1o1m h HIS 63 Cb 0.37 -0.14 -0.12 0.00 -0.00 0.00 0.00 27.41 27.52 1o1m h HIS 63 CO 0.03 0.86 -0.15 0.78 -0.00 0.00 0.00 177.93 179.44 1o1m h GLY 64 N 1.06 0.43 0.40 5.26 0.00 -0.58 -0.31 103.07 109.33 1o1m h GLY 64 Ca 0.04 0.20 0.11 0.00 0.00 0.00 0.00 47.33 47.68 1o1m h GLY 64 CO 0.08 -0.23 0.36 1.70 0.00 0.00 0.00 176.54 178.44 1o1m h LYS 65 N -0.00 0.57 0.85 4.80 3.64 -1.20 -2.52 116.57 122.70 1o1m h LYS 65 Ca 0.29 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1o1m h LYS 65 Cb 0.45 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1o1m h LYS 65 CO -0.63 0.37 -0.41 -0.22 -2.27 0.00 0.00 179.45 176.30 1o1m h LYS 66 N 0.58 -1.09 -0.38 1.90 3.64 -0.89 -1.75 116.57 118.58 1o1m h LYS 66 Ca 0.37 0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.72 1o1m h LYS 66 Cb 0.43 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1o1m h LYS 66 CO -0.30 -0.72 -0.19 0.11 -2.27 0.00 0.00 179.45 176.08 1o1m h TRP 67 N -1.22 0.92 0.00 1.91 5.08 -1.22 -2.95 115.95 118.48 1o1m h TRP 67 Ca -0.12 -0.23 -0.05 0.00 1.08 0.00 0.00 58.89 59.57 1o1m h TRP 67 Cb 0.88 -0.21 -0.01 0.00 -3.00 0.00 0.00 29.16 26.82 1o1m h TRP 67 CO -0.00 0.98 -0.26 1.25 -1.28 0.00 0.00 178.44 179.13 1o1m h LEU 68 N 0.60 0.00 -0.59 0.11 5.85 -1.54 -1.00 115.31 118.75 1o1m h LEU 68 Ca 0.08 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1o1m h LEU 68 Cb 0.74 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1o1m h LEU 68 CO 0.06 0.26 0.36 1.23 -0.34 0.00 0.00 178.44 180.00 1o1m h GLY 69 N 1.96 0.84 1.82 3.75 0.00 -1.17 0.21 103.07 110.48 1o1m h GLY 69 Ca -0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 1o1m h GLY 69 CO 0.03 0.33 -0.49 0.00 0.00 0.00 0.00 176.54 176.42 1o1m h ALA 70 N 1.19 1.04 -0.54 3.60 0.00 -1.29 -1.93 119.26 121.34 1o1m h ALA 70 Ca 0.21 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1o1m h ALA 70 Cb -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1o1m h ALA 70 CO -0.04 0.64 0.13 0.35 0.00 0.00 0.00 179.25 180.33 1o1m h PHE 71 N 0.15 0.90 -0.66 0.00 3.04 -0.77 -2.25 116.94 117.35 1o1m h PHE 71 Ca 0.01 -0.11 -0.08 0.00 3.98 0.00 0.00 57.97 61.77 1o1m h PHE 71 Cb 0.92 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 39.15 1o1m h PHE 71 CO 0.01 0.78 0.09 0.77 -2.02 0.00 0.00 178.31 177.95 1o1m h SER 72 N 0.75 1.06 0.55 0.41 0.02 -0.17 -1.31 113.55 114.87 1o1m h SER 72 Ca 0.17 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1o1m h SER 72 Cb 0.34 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 1o1m h SER 72 CO 0.00 1.06 -0.05 0.44 -1.14 0.00 0.00 176.83 177.14 1o1m h ASP 73 N 1.02 0.00 -0.07 3.07 3.32 -1.24 -0.62 116.42 121.91 1o1m h ASP 73 Ca 0.20 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 1o1m h ASP 73 Cb 0.46 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1o1m h ASP 73 CO 0.02 0.05 -0.20 1.23 -1.72 0.00 0.00 179.24 178.62 1o1m h GLY 74 N 1.15 0.49 1.98 2.75 0.00 -0.63 -2.83 103.07 105.99 1o1m h GLY 74 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1o1m h GLY 74 CO 0.01 0.34 0.00 1.04 0.00 0.00 0.00 176.54 177.92 1o1m n LEU 75 N -4.16 0.00 -0.26 3.11 4.77 -0.24 -0.98 117.00 119.24 1o1m n LEU 75 Ca -0.00 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 1o1m n LEU 75 Cb 0.36 -0.49 0.37 0.00 -2.33 0.00 0.00 43.42 41.34 1o1m n LEU 75 CO 0.41 -0.20 0.65 0.00 -1.33 0.00 0.00 177.39 176.92 1o1m n ALA 76 N -1.49 3.07 -2.63 -1.18 0.00 -1.07 -4.26 120.51 112.95 1o1m n ALA 76 Ca 0.04 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 52.96 1o1m n ALA 76 Cb 0.20 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.55 1o1m n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1m n HIS 77 N -0.59 1.66 0.24 0.00 8.25 -0.15 -4.91 115.22 119.72 1o1m n HIS 77 Ca 0.12 -2.65 0.05 0.00 -0.26 0.00 0.00 57.72 54.99 1o1m n HIS 77 Cb 0.35 -0.29 0.25 0.00 1.12 0.00 0.00 29.99 31.41 1o1m n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1o1m n LEU 78 N -0.30 0.15 0.05 2.41 4.77 -1.20 -1.38 117.00 121.50 1o1m n LEU 78 Ca 0.16 0.55 0.11 0.00 -0.03 0.00 0.00 56.01 56.81 1o1m n LEU 78 Cb 0.80 -0.55 0.05 0.00 -2.33 0.00 0.00 43.42 41.38 1o1m n LEU 78 CO 0.24 -0.48 0.06 0.47 -1.33 0.00 0.00 177.39 176.35 1o1m n ASP 79 N -1.69 0.65 -3.22 -1.43 8.00 -1.26 -0.25 116.55 117.35 1o1m n ASP 79 Ca 0.01 0.01 -0.24 0.00 0.71 0.00 0.00 54.79 55.28 1o1m n ASP 79 Cb 0.09 0.61 -0.07 0.00 -0.02 0.00 0.00 41.12 41.74 1o1m n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1o1m n ASN 80 N -2.18 0.93 -0.07 -2.24 2.85 -0.48 -3.31 115.26 110.77 1o1m n ASN 80 Ca 0.02 -2.87 -0.15 0.00 -0.11 0.00 0.00 54.58 51.46 1o1m n ASN 80 Cb 0.47 -0.64 -0.05 0.00 1.24 0.00 0.00 39.78 40.80 1o1m n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1o1m h LEU 81 N 3.90 0.90 -0.38 1.20 3.38 -1.78 -1.76 115.31 120.76 1o1m h LEU 81 Ca 0.10 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.52 1o1m h LEU 81 Cb 0.84 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1o1m h LEU 81 CO 0.53 1.29 0.25 0.11 0.09 0.00 0.00 178.44 180.71 1o1m h LYS 82 N 0.54 0.49 -0.49 1.13 1.57 -1.90 -0.16 116.57 117.75 1o1m h LYS 82 Ca 0.00 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1o1m h LYS 82 Cb 1.15 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1o1m h LYS 82 CO 0.12 0.32 -0.06 0.78 -0.57 0.00 0.00 179.45 180.04 1o1m h GLY 83 N 0.50 0.93 0.98 3.86 0.00 -1.96 -2.27 103.07 105.12 1o1m h GLY 83 Ca 0.14 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1o1m h GLY 83 CO -0.04 0.63 0.27 -0.84 0.00 0.00 0.00 176.54 176.56 1o1m h THR 84 N 0.78 1.17 -0.56 4.70 2.02 -0.79 -3.20 112.91 117.02 1o1m h THR 84 Ca 0.14 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1o1m h THR 84 Cb 0.56 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1o1m h THR 84 CO 0.03 0.18 0.00 0.49 0.37 0.00 0.00 175.52 176.59 1o1m n PHE 85 N -4.66 0.75 0.01 3.16 3.72 -0.12 -4.62 117.46 115.70 1o1m n PHE 85 Ca 0.02 -0.37 -0.10 0.00 -0.05 0.00 0.00 57.45 56.95 1o1m n PHE 85 Cb 0.08 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1o1m n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o1m h ALA 86 N 4.26 -0.15 -0.58 4.37 0.00 -1.40 0.11 119.26 125.87 1o1m h ALA 86 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1o1m h ALA 86 Cb 0.87 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1o1m h ALA 86 CO 0.00 -0.65 0.31 1.15 0.00 0.00 0.00 179.25 180.06 1o1m h THR 87 N -0.25 1.19 0.00 0.00 2.02 -1.85 -2.12 112.91 111.91 1o1m h THR 87 Ca 0.09 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 1o1m h THR 87 Cb 0.37 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1o1m h THR 87 CO -0.24 0.21 -0.28 -0.07 0.37 0.00 0.00 175.52 175.51 1o1m h LEU 88 N 0.78 0.00 0.15 2.58 3.38 -1.81 -1.54 115.31 118.86 1o1m h LEU 88 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1o1m h LEU 88 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1o1m h LEU 88 CO -0.03 0.28 -0.07 -1.28 0.09 0.00 0.00 178.44 177.43 1o1m h SER 89 N 0.00 -0.18 -0.60 -0.43 0.87 -0.15 -1.02 113.55 112.05 1o1m h SER 89 Ca -0.00 -0.13 0.11 0.00 -1.23 0.00 0.00 61.79 60.53 1o1m h SER 89 Cb 0.59 0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.51 1o1m h SER 89 CO 0.04 0.03 0.13 -0.33 -0.53 0.00 0.00 176.83 176.17 1o1m h GLU 90 N -0.38 0.25 -0.50 2.24 5.08 -1.31 -2.01 114.58 117.95 1o1m h GLU 90 Ca -0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1o1m h GLU 90 Cb 0.30 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1o1m h GLU 90 CO 0.03 0.17 0.26 1.25 -1.00 0.00 0.00 179.01 179.72 1o1m h LEU 91 N 0.26 0.64 -1.10 1.33 5.85 -1.06 0.04 115.31 121.28 1o1m h LEU 91 Ca 0.31 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 1o1m h LEU 91 Cb 0.46 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1o1m h LEU 91 CO -0.40 0.57 -0.45 0.45 -0.34 0.00 0.00 178.44 178.27 1o1m h HIS 92 N 0.67 0.01 0.00 1.25 3.86 -0.82 -1.21 115.15 118.91 1o1m h HIS 92 Ca 0.18 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1o1m h HIS 92 Cb 0.08 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 1o1m h HIS 92 CO -0.01 0.45 -0.00 0.00 0.86 0.00 0.00 177.93 179.23 1o1m h ASP 94 N -1.00 0.13 0.00 0.00 3.32 -1.06 -3.10 116.42 114.71 1o1m h ASP 94 Ca -0.00 -0.14 -0.34 0.00 0.02 0.00 0.00 57.03 56.57 1o1m h ASP 94 Cb 0.28 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.73 1o1m h ASP 94 CO -0.00 1.09 -2.19 0.29 -1.72 0.00 0.00 179.24 176.70 1o1m n LYS 95 N -3.44 0.48 0.06 3.56 4.76 -0.63 -4.71 118.16 118.24 1o1m n LYS 95 Ca -0.03 0.17 0.11 0.00 -2.87 0.00 0.00 58.31 55.70 1o1m n LYS 95 Cb 0.94 -1.33 0.03 0.00 -1.84 0.00 0.00 35.03 32.84 1o1m n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1o1m n LEU 96 N -3.61 0.67 -3.77 -0.35 4.77 -0.55 -4.98 117.00 109.17 1o1m n LEU 96 Ca -0.40 0.17 -0.24 0.00 -0.03 0.00 0.00 56.01 55.51 1o1m n LEU 96 Cb 0.84 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.86 1o1m n LEU 96 CO 0.10 -0.07 -0.01 1.41 -1.33 0.00 0.00 177.39 177.49 1o1m n HIS 97 N -2.29 -2.06 -3.30 -1.77 8.25 -0.21 -4.96 115.22 108.88 1o1m n HIS 97 Ca 0.01 0.86 -0.39 0.00 -0.26 0.00 0.00 57.72 57.94 1o1m n HIS 97 Cb 0.49 -4.27 -0.08 0.00 1.12 0.00 0.00 29.99 27.25 1o1m n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1o1m s VAL 98 N -3.55 5.12 -0.14 1.59 1.01 -0.58 -5.02 120.40 118.84 1o1m s VAL 98 Ca 0.22 0.77 -0.32 0.00 0.00 0.00 0.00 61.98 62.65 1o1m s VAL 98 Cb -0.11 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 1o1m s VAL 98 CO 0.82 0.14 2.02 -0.67 0.00 0.00 0.00 175.10 177.41 1o1m n ASP 99 N 5.22 3.31 0.20 3.32 -0.08 -1.26 -4.78 116.55 122.48 1o1m n ASP 99 Ca -0.06 0.71 0.16 0.00 -1.51 0.00 0.00 54.79 54.09 1o1m n ASP 99 Cb 0.50 -1.41 0.63 0.00 2.34 0.00 0.00 41.12 43.18 1o1m n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1o1m h PRO 100 N 11.16 0.00 -0.44 -0.67 0.11 -1.97 0.45 132.00 140.64 1o1m h PRO 100 Ca -0.44 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.75 1o1m h PRO 100 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1o1m h PRO 100 CO 0.96 0.00 0.30 1.49 -0.21 0.00 0.00 178.00 180.54 1o1m h GLU 101 N 0.00 0.27 0.00 1.05 4.57 -1.99 -0.42 114.58 118.06 1o1m h GLU 101 Ca 0.11 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1o1m h GLU 101 Cb 1.24 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1o1m h GLU 101 CO -0.00 0.18 -0.08 -0.91 -1.18 0.00 0.00 179.01 177.02 1o1m h ASN 102 N 0.28 0.00 -0.24 1.04 2.35 -1.27 -2.07 115.58 115.66 1o1m h ASN 102 Ca 0.20 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1o1m h ASN 102 Cb 0.43 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1o1m h ASN 102 CO -0.04 0.08 -0.06 -0.26 -1.65 0.00 0.00 177.43 175.50 1o1m h PHE 103 N 0.00 0.64 -0.29 1.19 0.04 -1.25 -0.96 116.94 116.31 1o1m h PHE 103 Ca -0.00 -0.09 -0.18 0.00 2.80 0.00 0.00 57.97 60.50 1o1m h PHE 103 Cb 0.17 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1o1m h PHE 103 CO 0.00 0.65 -0.53 0.00 -0.60 0.00 0.00 178.31 177.83 1o1m h ARG 104 N 0.56 0.88 -0.26 1.51 3.08 -1.46 -1.49 114.38 117.20 1o1m h ARG 104 Ca 0.11 -0.55 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 1o1m h ARG 104 Cb 0.45 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1o1m h ARG 104 CO 0.02 1.19 0.13 -0.07 -1.07 0.00 0.00 179.97 180.17 1o1m h LEU 105 N 0.66 0.34 -0.75 3.04 3.38 -1.21 -1.49 115.31 119.28 1o1m h LEU 105 Ca 0.02 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1o1m h LEU 105 Cb 1.14 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1o1m h LEU 105 CO 0.12 0.37 0.21 0.25 0.09 0.00 0.00 178.44 179.48 1o1m h LEU 106 N 0.29 1.09 -0.40 1.67 5.85 -1.16 -1.29 115.31 121.36 1o1m h LEU 106 Ca 0.09 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.67 1o1m h LEU 106 Cb 0.12 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 40.78 1o1m h LEU 106 CO -0.01 1.02 -0.12 1.23 -0.34 0.00 0.00 178.44 180.22 1o1m h GLY 107 N 1.11 0.25 1.08 3.75 0.00 -1.07 -0.02 103.07 108.16 1o1m h GLY 107 Ca 0.24 0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.63 1o1m h GLY 107 CO -0.00 -0.16 0.02 3.43 0.00 0.00 0.00 176.54 179.83 1o1m h ASN 108 N -0.03 1.05 -0.47 0.19 2.35 -0.93 -2.42 115.58 115.32 1o1m h ASN 108 Ca 0.19 -0.30 -0.09 0.00 -0.55 0.00 0.00 56.30 55.56 1o1m h ASN 108 Cb 0.32 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1o1m h ASN 108 CO -0.43 1.09 -0.04 0.58 -1.65 0.00 0.00 177.43 176.98 1o1m h VAL 109 N 0.98 1.26 -0.94 2.81 2.07 -0.89 -2.14 116.25 119.39 1o1m h VAL 109 Ca 0.18 -1.14 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1o1m h VAL 109 Cb 0.54 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 1o1m h VAL 109 CO 0.03 0.40 0.60 0.25 0.02 0.00 0.00 177.57 178.87 1o1m h LEU 110 N 0.84 0.95 -0.81 2.57 5.85 -0.81 -0.62 115.31 123.28 1o1m h LEU 110 Ca 0.15 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1o1m h LEU 110 Cb 0.55 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1o1m h LEU 110 CO 0.03 0.59 0.30 0.58 -0.34 0.00 0.00 178.44 179.61 1o1m h VAL 111 N 1.08 1.26 -0.84 1.05 2.07 -0.97 0.33 116.25 120.24 1o1m h VAL 111 Ca 0.41 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1o1m h VAL 111 Cb 0.20 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1o1m h VAL 111 CO -0.18 0.34 0.49 0.00 0.02 0.00 0.00 177.57 178.24 1o1m h VAL 113 N 1.15 1.29 -0.77 0.00 2.07 -0.56 -0.87 116.25 118.56 1o1m h VAL 113 Ca 0.30 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1o1m h VAL 113 Cb -0.02 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1o1m h VAL 113 CO -0.05 0.49 0.51 -0.07 0.02 0.00 0.00 177.57 178.46 1o1m h LEU 114 N 0.52 0.87 -0.38 2.57 3.38 -0.76 0.47 115.31 121.98 1o1m h LEU 114 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1o1m h LEU 114 Cb 0.91 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1o1m h LEU 114 CO 0.08 0.62 0.22 0.00 0.09 0.00 0.00 178.44 179.45 1o1m h ALA 115 N 1.30 0.48 -0.52 1.53 0.00 -1.20 -0.44 119.26 120.40 1o1m h ALA 115 Ca 0.29 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1o1m h ALA 115 Cb -0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1o1m h ALA 115 CO -0.08 -0.02 0.31 1.25 0.00 0.00 0.00 179.25 180.72 1o1m h HIS 116 N 0.49 0.69 -0.17 0.00 -0.00 -0.73 0.12 115.15 115.55 1o1m h HIS 116 Ca 0.13 -0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.30 1o1m h HIS 116 Cb 0.02 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.21 1o1m h HIS 116 CO -0.03 0.48 -0.68 1.25 -0.00 0.00 0.00 177.93 178.95 1o1m h HIS 117 N 0.69 0.87 -0.00 5.26 6.17 -0.80 -3.35 115.15 124.00 1o1m h HIS 117 Ca 0.19 -0.36 0.00 0.00 0.71 0.00 0.00 60.37 60.91 1o1m h HIS 117 Cb -0.00 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 29.78 1o1m h HIS 117 CO -0.02 1.15 -0.68 1.19 0.71 0.00 0.00 177.93 180.27 1o1m n PHE 118 N -3.93 0.00 -0.95 5.26 3.72 -0.19 -5.05 117.46 116.32 1o1m n PHE 118 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1o1m n PHE 118 Cb 0.69 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 1o1m n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o1m n GLY 119 N 1.34 3.10 0.32 1.37 0.00 0.42 -2.70 105.19 109.03 1o1m n GLY 119 Ca 0.04 -0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.10 1o1m n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1o1m h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.97 0.13 116.57 119.98 1o1m h LYS 120 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1o1m h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1o1m h LYS 120 CO 0.00 0.00 -0.05 1.49 -2.27 0.00 0.00 179.45 178.62 1o1m h GLU 121 N 0.00 0.00 -3.69 1.90 4.81 -1.91 -3.33 114.58 112.35 1o1m h GLU 121 Ca 0.01 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.48 1o1m h GLU 121 Cb 0.07 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.28 1o1m h GLU 121 CO -0.00 0.05 1.78 0.34 -0.73 0.00 0.00 179.01 180.45 1o1m n PHE 122 N -3.22 3.31 -1.21 0.92 7.35 0.45 -4.94 117.46 120.12 1o1m n PHE 122 Ca -0.00 -2.90 -0.30 0.00 -0.76 0.00 0.00 57.45 53.49 1o1m n PHE 122 Cb 0.28 -1.93 0.13 0.00 0.35 0.00 0.00 39.48 38.31 1o1m n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1m s THR 123 N 0.32 2.70 0.24 -2.13 -4.23 -1.25 -4.70 115.64 106.59 1o1m s THR 123 Ca 0.39 0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 61.08 1o1m s THR 123 Cb 0.07 -2.72 0.20 0.00 1.34 0.00 0.00 72.50 71.39 1o1m s THR 123 CO 0.01 -0.30 1.75 -0.65 -0.54 0.00 0.00 174.62 174.89 1o1m h PRO 124 N -1.51 0.51 0.00 3.99 0.11 -1.93 -0.46 132.00 132.69 1o1m h PRO 124 Ca -0.49 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 1o1m h PRO 124 Cb 1.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1o1m h PRO 124 CO 0.54 0.33 -0.49 -1.35 -0.21 0.00 0.00 178.00 176.83 1o1m h PRO 125 N 0.52 0.00 -0.28 1.05 0.11 -1.99 -1.50 132.00 129.92 1o1m h PRO 125 Ca 0.38 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.32 1o1m h PRO 125 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1o1m h PRO 125 CO -0.34 0.49 -0.49 0.28 -0.21 0.00 0.00 178.00 177.73 1o1m h VAL 126 N 0.00 1.28 -0.67 3.15 2.07 -1.76 -2.51 116.25 117.81 1o1m h VAL 126 Ca -0.00 -1.68 0.07 0.00 0.82 0.00 0.00 66.70 65.90 1o1m h VAL 126 Cb 0.91 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 1o1m h VAL 126 CO 0.06 0.55 0.36 -0.61 0.02 0.00 0.00 177.57 177.95 1o1m h GLN 127 N 0.59 0.64 -0.68 1.57 4.15 -0.93 -1.75 115.11 118.70 1o1m h GLN 127 Ca 0.02 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.44 1o1m h GLN 127 Cb 1.10 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.60 1o1m h GLN 127 CO 0.11 0.42 0.41 0.00 -1.93 0.00 0.00 178.83 177.85 1o1m h ALA 128 N 1.36 0.90 -0.60 3.38 0.00 -1.16 0.26 119.26 123.39 1o1m h ALA 128 Ca 0.31 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1o1m h ALA 128 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1o1m h ALA 128 CO -0.20 0.15 0.22 0.00 0.00 0.00 0.00 179.25 179.42 1o1m h ALA 129 N 1.31 0.78 -0.06 0.00 0.00 -1.07 -2.47 119.26 117.76 1o1m h ALA 129 Ca 0.28 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1o1m h ALA 129 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1o1m h ALA 129 CO -0.13 0.42 -0.38 1.88 0.00 0.00 0.00 179.25 181.03 1o1m h TYR 130 N 0.84 0.14 -0.20 0.00 0.05 -0.48 -2.49 116.97 114.85 1o1m h TYR 130 Ca 0.20 -0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.83 1o1m h TYR 130 Cb 0.23 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 1o1m h TYR 130 CO 0.01 0.49 -0.35 1.96 -1.05 0.00 0.00 178.16 179.23 1o1m h GLN 131 N 0.11 0.42 -0.43 4.88 1.08 -0.25 -0.47 115.11 120.45 1o1m h GLN 131 Ca 0.01 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 1o1m h GLN 131 Cb 0.72 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.13 1o1m h GLN 131 CO 0.05 0.71 0.18 0.87 -0.95 0.00 0.00 178.83 179.70 1o1m h LYS 132 N 0.35 0.63 -0.29 1.46 1.57 -1.15 -2.24 116.57 116.91 1o1m h LYS 132 Ca 0.04 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1o1m h LYS 132 Cb 0.78 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1o1m h LYS 132 CO 0.06 0.58 0.02 0.28 -0.57 0.00 0.00 179.45 179.82 1o1m h VAL 133 N 0.55 1.24 -0.37 0.50 2.07 -1.09 -0.88 116.25 118.28 1o1m h VAL 133 Ca 0.14 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 1o1m h VAL 133 Cb 0.17 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1o1m h VAL 133 CO -0.01 0.28 -0.04 -0.37 0.02 0.00 0.00 177.57 177.45 1o1m h VAL 134 N 0.29 1.22 -0.36 2.57 -1.51 -1.09 0.02 116.25 117.40 1o1m h VAL 134 Ca 0.08 -0.92 -0.13 0.00 -1.23 0.00 0.00 66.70 64.50 1o1m h VAL 134 Cb 0.38 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 1o1m h VAL 134 CO 0.01 0.31 -0.31 0.00 -1.23 0.00 0.00 177.57 176.35 1o1m h ALA 135 N 1.40 0.77 -0.34 5.19 0.00 -1.20 -1.05 119.26 124.02 1o1m h ALA 135 Ca 0.11 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1o1m h ALA 135 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1o1m h ALA 135 CO 0.02 0.65 -0.23 0.78 0.00 0.00 0.00 179.25 180.47 1o1m h GLY 136 N 0.93 0.73 0.90 0.00 0.00 -0.69 -0.39 103.07 104.56 1o1m h GLY 136 Ca 0.07 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 1o1m h GLY 136 CO 0.07 0.56 -0.34 -2.08 0.00 0.00 0.00 176.54 174.75 1o1m h VAL 137 N 0.59 1.33 -0.63 4.60 2.07 -0.89 -0.25 116.25 123.07 1o1m h VAL 137 Ca 0.08 -1.57 0.06 0.00 0.82 0.00 0.00 66.70 66.10 1o1m h VAL 137 Cb 0.71 1.86 -0.06 0.00 -1.52 0.00 0.00 31.29 32.29 1o1m h VAL 137 CO 0.05 0.48 0.33 0.00 0.02 0.00 0.00 177.57 178.46 1o1m h ALA 138 N 0.60 0.84 -0.71 1.67 0.00 -1.12 0.06 119.26 120.60 1o1m h ALA 138 Ca 0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1o1m h ALA 138 Cb 0.94 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1o1m h ALA 138 CO 0.08 -0.01 0.27 -0.91 0.00 0.00 0.00 179.25 178.67 1o1m h ASN 139 N 0.61 0.99 -0.40 0.00 -0.26 -0.94 -1.91 115.58 113.67 1o1m h ASN 139 Ca 0.29 -0.15 -0.09 0.00 -0.56 0.00 0.00 56.30 55.78 1o1m h ASN 139 Cb 0.21 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.19 1o1m h ASN 139 CO -0.20 0.89 -0.09 0.00 -1.06 0.00 0.00 177.43 176.98 1o1m h ALA 140 N 1.25 0.97 0.00 -0.83 0.00 -0.41 -2.48 119.26 117.76 1o1m h ALA 140 Ca 0.24 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1o1m h ALA 140 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1o1m h ALA 140 CO -0.02 0.61 -0.19 -0.07 0.00 0.00 0.00 179.25 179.59 1o1m h LEU 141 N 0.76 0.00 -0.58 0.00 3.38 -0.68 -2.95 115.31 115.24 1o1m h LEU 141 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1o1m h LEU 141 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1o1m h LEU 141 CO 0.04 0.19 -0.35 0.00 0.09 0.00 0.00 178.44 178.41 1o1m n ALA 142 N -2.19 3.27 -0.22 1.53 0.00 -0.75 -4.48 120.51 117.68 1o1m n ALA 142 Ca 0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 53.44 52.95 1o1m n ALA 142 Cb 0.45 -1.04 0.16 0.00 0.00 0.00 0.00 19.45 19.02 1o1m n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1o1m h HIS 143 N 1.41 1.02 -0.51 0.00 6.17 -1.27 -2.77 115.15 119.20 1o1m h HIS 143 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.03 1o1m h HIS 143 Cb 0.57 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 30.18 1o1m h HIS 143 CO 0.00 0.76 0.00 1.63 0.71 0.00 0.00 177.93 181.03 1o1m n LYS 144 N -4.32 2.83 -2.44 5.26 4.76 -1.26 -4.92 118.16 118.06 1o1m n LYS 144 Ca 0.07 -2.10 -0.39 0.00 -2.87 0.00 0.00 58.31 53.01 1o1m n LYS 144 Cb 0.15 -1.65 -0.04 0.00 -1.84 0.00 0.00 35.03 31.66 1o1m n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1o1m s TYR 145 N -1.62 3.38 0.00 2.13 1.51 -1.05 -4.74 117.35 116.97 1o1m s TYR 145 Ca 0.38 1.65 0.00 0.00 -1.01 0.00 0.00 57.07 58.09 1o1m s TYR 145 Cb 0.23 -3.28 0.00 0.00 -0.11 0.00 0.00 41.96 38.80 1o1m s TYR 145 CO 0.21 -0.77 0.00 -2.39 -1.11 0.00 0.00 175.55 171.49