#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1p s HIS 2 N 0.00 3.22 0.22 3.17 2.46 -1.26 -4.22 115.29 118.88 1o1p s HIS 2 Ca 0.00 0.04 0.11 0.00 0.47 0.00 0.00 55.06 55.68 1o1p s HIS 2 Cb 0.00 -2.04 -0.05 0.00 -0.13 0.00 0.00 32.58 30.37 1o1p s HIS 2 CO 0.00 0.17 -0.21 -0.51 -2.47 0.00 0.00 174.74 171.72 1o1p s LEU 3 N 0.23 2.50 0.83 8.88 1.43 -1.26 -5.13 118.68 126.16 1o1p s LEU 3 Ca 0.03 -0.93 -0.10 0.00 -1.03 0.00 0.00 54.13 52.09 1o1p s LEU 3 Cb -0.13 -1.03 0.10 0.00 0.03 0.00 0.00 46.19 45.16 1o1p s LEU 3 CO 0.01 0.04 1.12 0.42 0.23 0.00 0.00 176.35 178.16 1o1p s THR 4 N -2.14 2.72 0.21 5.49 -4.23 -1.26 -4.75 115.64 111.68 1o1p s THR 4 Ca 0.23 0.24 -0.09 0.00 -1.18 0.00 0.00 61.69 60.89 1o1p s THR 4 Cb -0.06 -2.51 0.15 0.00 1.34 0.00 0.00 72.50 71.42 1o1p s THR 4 CO 0.11 -0.30 1.76 -0.65 -0.54 0.00 0.00 174.62 174.99 1o1p h PRO 5 N -1.43 0.47 -0.73 3.99 0.11 -2.01 -0.98 132.00 131.42 1o1p h PRO 5 Ca -0.43 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1o1p h PRO 5 Cb 1.25 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1o1p h PRO 5 CO 0.47 0.31 0.45 0.93 -0.21 0.00 0.00 178.00 179.95 1o1p h GLU 6 N 0.48 0.99 0.01 1.05 3.07 -1.99 -0.32 114.58 117.87 1o1p h GLU 6 Ca 0.32 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1o1p h GLU 6 Cb 0.37 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1o1p h GLU 6 CO -0.29 0.68 -0.00 0.93 -1.40 0.00 0.00 179.01 178.93 1o1p h GLU 7 N 1.01 -0.01 -0.57 2.33 5.08 -1.67 -0.81 114.58 119.93 1o1p h GLU 7 Ca 0.26 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 1o1p h GLU 7 Cb -0.06 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 1o1p h GLU 7 CO -0.05 0.45 0.25 -0.22 -1.00 0.00 0.00 179.01 178.44 1o1p h LYS 8 N -0.48 0.46 -0.76 2.33 3.64 -1.05 -1.14 116.57 119.57 1o1p h LYS 8 Ca -0.00 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1o1p h LYS 8 Cb 0.47 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1o1p h LYS 8 CO 0.00 0.30 0.46 1.03 -2.27 0.00 0.00 179.45 178.98 1o1p h SER 9 N 0.47 0.74 -0.88 4.20 0.87 -0.99 -1.35 113.55 116.61 1o1p h SER 9 Ca 0.27 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.88 1o1p h SER 9 Cb 0.25 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 1o1p h SER 9 CO -0.23 0.49 0.57 0.00 -0.53 0.00 0.00 176.83 177.13 1o1p h ALA 10 N 1.35 1.17 -0.07 6.23 0.00 -0.20 -1.18 119.26 126.55 1o1p h ALA 10 Ca 0.32 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1o1p h ALA 10 Cb 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1o1p h ALA 10 CO -0.14 0.41 -0.21 0.28 0.00 0.00 0.00 179.25 179.58 1o1p h VAL 11 N 1.09 1.43 -0.21 0.00 2.07 -0.60 -2.98 116.25 117.04 1o1p h VAL 11 Ca 0.36 -1.58 -0.18 0.00 0.82 0.00 0.00 66.70 66.11 1o1p h VAL 11 Cb 0.03 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1o1p h VAL 11 CO -0.12 0.45 -0.60 0.71 0.02 0.00 0.00 177.57 178.02 1o1p h THR 12 N -0.23 1.30 -0.64 2.57 1.35 -1.19 -2.01 112.91 114.05 1o1p h THR 12 Ca -0.01 -1.83 0.02 0.00 -0.55 0.00 0.00 66.41 64.05 1o1p h THR 12 Cb 0.83 1.77 -0.04 0.00 -1.73 0.00 0.00 68.15 68.99 1o1p h THR 12 CO 0.04 0.58 0.40 0.00 -0.25 0.00 0.00 175.52 176.30 1o1p h ALA 13 N 0.78 0.83 -0.28 6.62 0.00 -1.29 -2.41 119.26 123.51 1o1p h ALA 13 Ca -0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1o1p h ALA 13 Cb 1.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1o1p h ALA 13 CO 0.12 0.17 -0.41 1.25 0.00 0.00 0.00 179.25 180.38 1o1p h LEU 14 N 0.80 0.72 -1.43 0.00 5.85 -1.42 -3.09 115.31 116.74 1o1p h LEU 14 Ca 0.25 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1o1p h LEU 14 Cb -0.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1o1p h LEU 14 CO -0.09 1.04 -0.21 -0.25 -0.34 0.00 0.00 178.44 178.59 1o1p h TRP 15 N 0.55 0.00 0.00 1.25 2.91 -1.01 -1.97 115.95 117.68 1o1p h TRP 15 Ca 0.04 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.06 1o1p h TRP 15 Cb 0.95 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.60 1o1p h TRP 15 CO 0.04 0.21 -0.00 0.78 -1.03 0.00 0.00 178.44 178.44 1o1p h GLY 16 N 1.51 0.00 -0.17 2.65 0.00 -1.35 -1.56 103.07 104.15 1o1p h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1o1p h GLY 16 CO 0.03 0.00 -0.84 0.28 0.00 0.00 0.00 176.54 176.00 1o1p n LYS 17 N -3.16 0.29 -2.54 4.80 5.02 -0.75 -4.91 118.16 116.92 1o1p n LYS 17 Ca -0.03 -0.24 -0.43 0.00 -2.02 0.00 0.00 58.31 55.60 1o1p n LYS 17 Cb 0.11 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.60 1o1p n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1o1p s VAL 18 N -2.87 4.40 -0.67 -0.18 1.01 -0.59 -4.98 120.40 116.51 1o1p s VAL 18 Ca 0.11 1.64 -0.27 0.00 0.00 0.00 0.00 61.98 63.45 1o1p s VAL 18 Cb 0.17 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.34 1o1p s VAL 18 CO 0.79 -0.35 1.26 0.21 0.00 0.00 0.00 175.10 177.01 1o1p s ASN 19 N 1.93 6.25 0.39 3.32 2.47 -1.26 -4.91 114.94 123.13 1o1p s ASN 19 Ca 0.50 -0.21 0.09 0.00 0.42 0.00 0.00 52.86 53.66 1o1p s ASN 19 Cb -0.16 -2.56 0.87 0.00 -1.45 0.00 0.00 41.25 37.95 1o1p s ASN 19 CO 0.15 -1.72 1.96 0.58 -3.72 0.00 0.00 177.10 174.36 1o1p h VAL 20 N 6.10 0.96 0.10 -5.21 2.07 -1.95 -1.62 116.25 116.71 1o1p h VAL 20 Ca -0.27 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1o1p h VAL 20 Cb 1.06 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1o1p h VAL 20 CO 1.24 0.11 -0.05 0.44 0.02 0.00 0.00 177.57 179.33 1o1p h ASP 21 N 0.60 -0.12 -0.28 0.57 3.32 -1.90 0.44 116.42 119.05 1o1p h ASP 21 Ca 0.30 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1o1p h ASP 21 Cb 0.39 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1o1p h ASP 21 CO -0.10 0.03 0.10 -0.08 -1.72 0.00 0.00 179.24 177.47 1o1p h GLU 22 N -0.26 0.42 -0.07 3.56 4.81 -1.80 -1.52 114.58 119.72 1o1p h GLU 22 Ca -0.01 -0.08 -0.17 0.00 -0.13 0.00 0.00 59.36 58.96 1o1p h GLU 22 Cb 0.21 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1o1p h GLU 22 CO 0.02 0.46 -0.70 0.28 -0.73 0.00 0.00 179.01 178.35 1o1p h VAL 23 N 0.30 1.39 -0.09 0.32 2.07 -1.34 -2.61 116.25 116.28 1o1p h VAL 23 Ca 0.09 -2.12 -0.01 0.00 0.82 0.00 0.00 66.70 65.49 1o1p h VAL 23 Cb 0.20 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1o1p h VAL 23 CO -0.01 0.63 0.04 1.23 0.02 0.00 0.00 177.57 179.48 1o1p h GLY 24 N 1.37 0.15 0.74 2.17 0.00 -0.68 0.46 103.07 107.28 1o1p h GLY 24 Ca -0.02 -0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.27 1o1p h GLY 24 CO 0.12 0.08 0.36 -1.33 0.00 0.00 0.00 176.54 175.76 1o1p h GLY 25 N -0.01 0.92 0.93 4.60 0.00 -1.31 -2.39 103.07 105.79 1o1p h GLY 25 Ca 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1o1p h GLY 25 CO -0.00 0.17 0.11 -2.09 0.00 0.00 0.00 176.54 174.73 1o1p h GLU 26 N 0.68 0.58 -0.29 4.80 4.57 -1.12 -1.29 114.58 122.52 1o1p h GLU 26 Ca 0.28 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1o1p h GLU 26 Cb 0.14 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1o1p h GLU 26 CO -0.16 0.61 0.09 0.00 -1.18 0.00 0.00 179.01 178.37 1o1p h ALA 27 N 0.95 0.38 -0.46 2.92 0.00 -0.81 -1.21 119.26 121.03 1o1p h ALA 27 Ca 0.12 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1o1p h ALA 27 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1o1p h ALA 27 CO -0.00 0.02 -0.07 1.25 0.00 0.00 0.00 179.25 180.44 1o1p h LEU 28 N 0.31 0.86 -0.45 0.00 5.85 -1.43 -1.53 115.31 118.92 1o1p h LEU 28 Ca 0.09 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1o1p h LEU 28 Cb 0.24 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1o1p h LEU 28 CO -0.00 1.00 0.29 1.23 -0.34 0.00 0.00 178.44 180.62 1o1p h GLY 29 N 0.71 0.63 1.61 3.75 0.00 -1.16 -1.65 103.07 106.96 1o1p h GLY 29 Ca 0.12 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 1o1p h GLY 29 CO 0.04 0.22 -0.14 3.21 0.00 0.00 0.00 176.54 179.87 1o1p h ARG 30 N 0.59 0.47 -0.61 4.80 3.08 -1.15 -1.75 114.38 119.81 1o1p h ARG 30 Ca 0.17 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1o1p h ARG 30 Cb -0.05 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 1o1p h ARG 30 CO -0.04 0.60 0.35 1.25 -1.07 0.00 0.00 179.97 181.06 1o1p h LEU 31 N 0.44 0.54 -0.87 3.04 5.85 -0.59 0.31 115.31 124.02 1o1p h LEU 31 Ca 0.08 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 1o1p h LEU 31 Cb 0.50 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1o1p h LEU 31 CO 0.03 0.37 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.06 1o1p h LEU 32 N 0.67 0.39 0.01 2.25 3.38 -0.90 -1.21 115.31 119.90 1o1p h LEU 32 Ca 0.26 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1o1p h LEU 32 Cb 0.10 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1o1p h LEU 32 CO -0.14 0.74 -0.39 0.58 0.09 0.00 0.00 178.44 179.31 1o1p h VAL 33 N 0.32 1.52 0.06 1.22 2.07 -0.96 -3.24 116.25 117.24 1o1p h VAL 33 Ca 0.03 -2.06 -0.24 0.00 0.82 0.00 0.00 66.70 65.26 1o1p h VAL 33 Cb 0.80 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1o1p h VAL 33 CO 0.06 0.57 -1.08 0.58 0.02 0.00 0.00 177.57 177.73 1o1p h VAL 34 N -0.40 1.54 -2.45 2.57 2.07 -0.35 -3.37 116.25 115.86 1o1p h VAL 34 Ca -0.05 -2.99 -0.60 0.00 0.82 0.00 0.00 66.70 63.88 1o1p h VAL 34 Cb 1.16 2.77 -0.41 0.00 -1.52 0.00 0.00 31.29 33.29 1o1p h VAL 34 CO 0.08 0.87 -0.75 -1.22 0.02 0.00 0.00 177.57 176.57 1o1p n TYR 35 N -3.54 2.03 0.28 1.57 4.01 -0.46 -4.98 117.16 116.07 1o1p n TYR 35 Ca -0.05 -3.95 0.14 0.00 -0.16 0.00 0.00 57.90 53.87 1o1p n TYR 35 Cb 0.94 -0.41 0.66 0.00 -0.31 0.00 0.00 39.34 40.23 1o1p n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1o1p h PRO 36 N 4.75 0.00 0.00 -0.72 0.11 -1.73 -1.56 132.00 132.85 1o1p h PRO 36 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1o1p h PRO 36 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1o1p h PRO 36 CO 0.65 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.77 1o1p n TRP 37 N -2.47 0.65 0.56 0.65 2.14 -1.26 -1.46 117.44 116.24 1o1p n TRP 37 Ca -0.00 0.29 0.12 0.00 2.07 0.00 0.00 57.50 59.97 1o1p n TRP 37 Cb 0.14 -0.96 0.45 0.00 -0.81 0.00 0.00 31.31 30.13 1o1p n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1o1p n THR 38 N -2.12 0.66 0.28 -1.67 -2.24 -0.59 -2.55 114.28 106.06 1o1p n THR 38 Ca 0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 1o1p n THR 38 Cb 0.14 -0.85 0.48 0.00 -2.10 0.00 0.00 70.33 68.00 1o1p n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o1p n GLN 39 N -2.10 0.14 0.21 -0.78 6.02 -0.54 -3.05 117.38 117.29 1o1p n GLN 39 Ca 0.04 0.50 0.14 0.00 -0.01 0.00 0.00 57.00 57.67 1o1p n GLN 39 Cb 0.32 -1.85 0.72 0.00 1.02 0.00 0.00 30.24 30.45 1o1p n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1o1p h ARG 40 N 0.00 0.00 -0.02 -1.09 0.11 -1.71 -1.03 114.38 110.65 1o1p h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1o1p h ARG 40 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1o1p h ARG 40 CO 0.00 0.00 -0.07 1.19 0.10 0.00 0.00 179.97 181.19 1o1p n PHE 41 N -2.46 0.00 -2.23 4.08 3.72 -1.17 -4.51 117.46 114.89 1o1p n PHE 41 Ca -0.02 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.42 1o1p n PHE 41 Cb 0.10 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 38.71 1o1p n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o1p n PHE 42 N 0.72 0.09 -0.10 1.38 3.72 -0.39 -4.82 117.46 118.06 1o1p n PHE 42 Ca 0.15 -0.89 0.18 0.00 -0.05 0.00 0.00 57.45 56.84 1o1p n PHE 42 Cb 0.50 -0.19 0.59 0.00 -0.94 0.00 0.00 39.48 39.44 1o1p n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1o1p h GLU 43 N 1.07 0.22 -0.04 -1.08 4.39 -1.79 0.18 114.58 117.54 1o1p h GLU 43 Ca -0.15 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1o1p h GLU 43 Cb 1.60 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 1o1p h GLU 43 CO 0.08 0.15 0.00 -1.13 -1.16 0.00 0.00 179.01 176.95 1o1p n SER 44 N -4.43 0.34 0.07 1.42 3.41 -1.26 -3.79 113.62 109.38 1o1p n SER 44 Ca 0.13 -1.66 0.12 0.00 -0.26 0.00 0.00 58.87 57.19 1o1p n SER 44 Cb 0.57 -0.03 0.17 0.00 -0.26 0.00 0.00 64.21 64.66 1o1p n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1o1p h PHE 45 N 0.42 0.00 0.00 7.33 -1.00 -1.01 -3.50 116.94 119.18 1o1p h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1o1p h PHE 45 Cb 0.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1o1p h PHE 45 CO 0.03 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.14 1o1p n GLY 46 N 1.32 0.36 3.60 -1.45 0.00 -1.25 -4.79 105.19 102.99 1o1p n GLY 46 Ca 0.03 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 1o1p n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o1p s ASP 47 N -4.00 5.87 -0.09 1.61 2.15 -1.26 -4.85 116.67 116.10 1o1p s ASP 47 Ca 0.00 1.46 0.13 0.00 0.43 0.00 0.00 52.55 54.58 1o1p s ASP 47 Cb 0.00 -2.52 0.25 0.00 -0.30 0.00 0.00 42.92 40.35 1o1p s ASP 47 CO 0.00 -1.70 1.12 0.18 -0.17 0.00 0.00 175.17 174.61 1o1p n LEU 48 N 10.30 1.59 0.13 -1.34 4.77 -1.26 -4.24 117.00 126.94 1o1p n LEU 48 Ca 0.24 -2.52 -0.02 0.00 -0.03 0.00 0.00 56.01 53.68 1o1p n LEU 48 Cb 0.46 -0.27 0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1o1p n LEU 48 CO 0.68 0.69 0.45 0.77 -1.33 0.00 0.00 177.39 178.65 1o1p h SER 49 N 0.32 0.00 -4.77 -1.43 4.64 -1.94 -3.45 113.55 106.92 1o1p h SER 49 Ca -0.03 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.07 1o1p h SER 49 Cb 1.23 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.15 1o1p h SER 49 CO 0.01 0.66 -0.70 0.42 -0.87 0.00 0.00 176.83 176.35 1o1p s THR 50 N -3.50 0.54 0.27 2.95 -4.23 -1.26 -5.05 115.64 105.37 1o1p s THR 50 Ca -0.01 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1o1p s THR 50 Cb 0.12 -1.29 0.26 0.00 1.34 0.00 0.00 72.50 72.93 1o1p s THR 50 CO 0.77 -0.74 1.76 -0.65 -0.54 0.00 0.00 174.62 175.22 1o1p h PRO 51 N 3.49 0.63 -0.45 3.99 0.11 -1.98 -0.74 132.00 137.06 1o1p h PRO 51 Ca -0.35 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.58 1o1p h PRO 51 Cb 1.17 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1o1p h PRO 51 CO 0.57 0.42 -0.26 -0.44 -0.21 0.00 0.00 178.00 178.08 1o1p h ASP 52 N 0.65 1.00 -0.56 -2.05 3.32 -1.98 -0.94 116.42 115.86 1o1p h ASP 52 Ca 0.50 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1o1p h ASP 52 Cb 0.73 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1o1p h ASP 52 CO -0.38 1.19 0.18 0.00 -1.72 0.00 0.00 179.24 178.52 1o1p h ALA 53 N 0.87 0.73 0.06 3.45 0.00 -1.70 -1.89 119.26 120.78 1o1p h ALA 53 Ca 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1o1p h ALA 53 Cb 0.83 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1o1p h ALA 53 CO 0.07 0.38 -0.03 0.28 0.00 0.00 0.00 179.25 179.96 1o1p h VAL 54 N 0.77 1.01 0.00 0.00 2.07 -0.95 -1.96 116.25 117.19 1o1p h VAL 54 Ca 0.18 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1o1p h VAL 54 Cb 0.27 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1o1p h VAL 54 CO -0.01 0.05 -0.25 0.24 0.02 0.00 0.00 177.57 177.62 1o1p h MET 55 N -0.17 0.00 -0.17 1.57 2.07 -1.10 -2.04 114.93 115.09 1o1p h MET 55 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1o1p h MET 55 Cb 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.88 1o1p h MET 55 CO 0.01 0.25 0.00 0.41 1.07 0.00 0.00 176.91 178.66 1o1p n GLY 56 N -0.56 0.71 3.62 8.32 0.00 -0.72 -4.89 105.19 111.67 1o1p n GLY 56 Ca -0.02 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1o1p n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o1p s ASN 57 N -1.71 6.47 0.50 1.61 3.84 -0.75 -4.88 114.94 120.02 1o1p s ASN 57 Ca 0.34 1.11 0.15 0.00 0.21 0.00 0.00 52.86 54.68 1o1p s ASN 57 Cb 0.20 -2.54 1.20 0.00 -0.55 0.00 0.00 41.25 39.56 1o1p s ASN 57 CO 0.30 -1.26 2.12 1.55 -2.79 0.00 0.00 177.10 177.01 1o1p h PRO 58 N 10.16 0.04 -0.05 0.43 0.13 -1.90 -0.66 132.00 140.14 1o1p h PRO 58 Ca -0.28 -0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.69 1o1p h PRO 58 Cb 1.11 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1o1p h PRO 58 CO 1.05 0.05 -0.66 0.87 -0.23 0.00 0.00 178.00 179.08 1o1p h LYS 59 N 0.04 0.22 -0.19 0.86 1.57 -1.90 -1.26 116.57 115.92 1o1p h LYS 59 Ca 0.01 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1o1p h LYS 59 Cb 0.05 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1o1p h LYS 59 CO 0.00 0.80 0.06 0.28 -0.57 0.00 0.00 179.45 180.03 1o1p h VAL 60 N 0.16 1.18 -0.40 0.50 2.07 -1.56 -1.86 116.25 116.34 1o1p h VAL 60 Ca -0.01 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.00 1o1p h VAL 60 Cb 1.19 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1o1p h VAL 60 CO 0.10 0.17 0.13 0.11 0.02 0.00 0.00 177.57 178.10 1o1p h LYS 61 N 0.13 0.27 -0.42 1.57 1.57 -1.00 -0.34 116.57 118.34 1o1p h LYS 61 Ca 0.06 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 1o1p h LYS 61 Cb 0.21 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1o1p h LYS 61 CO -0.00 0.18 -0.17 0.00 -0.57 0.00 0.00 179.45 178.88 1o1p h ALA 62 N 1.27 0.90 -0.42 3.86 0.00 -1.18 -1.47 119.26 122.21 1o1p h ALA 62 Ca 0.19 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1o1p h ALA 62 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1o1p h ALA 62 CO -0.20 0.63 -0.32 1.25 0.00 0.00 0.00 179.25 180.61 1o1p h HIS 63 N 0.72 1.12 -0.79 0.00 -0.00 -1.04 -1.63 115.15 113.52 1o1p h HIS 63 Ca 0.11 -0.31 -0.01 0.00 -0.00 0.00 0.00 60.37 60.16 1o1p h HIS 63 Cb 0.68 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.81 1o1p h HIS 63 CO 0.04 1.13 0.47 0.78 -0.00 0.00 0.00 177.93 180.35 1o1p h GLY 64 N 0.83 1.14 1.01 5.26 0.00 -0.84 0.13 103.07 110.59 1o1p h GLY 64 Ca 0.08 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1o1p h GLY 64 CO 0.08 0.47 0.63 1.70 0.00 0.00 0.00 176.54 179.42 1o1p h LYS 65 N 1.08 1.25 -0.18 4.80 3.64 -1.13 0.52 116.57 126.55 1o1p h LYS 65 Ca 0.28 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1o1p h LYS 65 Cb -0.03 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.50 1o1p h LYS 65 CO -0.05 0.83 0.01 -0.22 -2.27 0.00 0.00 179.45 177.75 1o1p h LYS 66 N 1.29 0.31 0.09 1.90 3.64 -0.50 -0.80 116.57 122.50 1o1p h LYS 66 Ca 0.35 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1o1p h LYS 66 Cb -0.15 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1o1p h LYS 66 CO -0.08 0.50 -0.04 0.28 -2.27 0.00 0.00 179.45 177.84 1o1p h VAL 67 N 0.08 0.98 0.00 2.00 2.07 -0.51 -2.00 116.25 118.87 1o1p h VAL 67 Ca 0.05 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1o1p h VAL 67 Cb 0.35 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1o1p h VAL 67 CO 0.01 0.06 -0.25 0.25 0.02 0.00 0.00 177.57 177.66 1o1p h LEU 68 N -0.24 0.00 -0.75 2.57 5.85 -0.95 -1.17 115.31 120.61 1o1p h LEU 68 Ca -0.01 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1o1p h LEU 68 Cb 0.20 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1o1p h LEU 68 CO 0.02 0.25 0.50 1.23 -0.34 0.00 0.00 178.44 180.10 1o1p h GLY 69 N 2.44 1.07 1.21 3.75 0.00 -0.90 0.22 103.07 110.86 1o1p h GLY 69 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 1o1p h GLY 69 CO 0.03 0.37 -0.31 0.00 0.00 0.00 0.00 176.54 176.63 1o1p h ALA 70 N 1.29 0.70 -0.50 3.60 0.00 -0.73 -2.16 119.26 121.45 1o1p h ALA 70 Ca 0.28 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1o1p h ALA 70 Cb -0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1o1p h ALA 70 CO -0.07 0.67 0.27 0.35 0.00 0.00 0.00 179.25 180.47 1o1p h PHE 71 N 0.74 0.51 -0.67 0.00 3.57 -0.87 -1.89 116.94 118.33 1o1p h PHE 71 Ca 0.08 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.69 1o1p h PHE 71 Cb 0.88 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.39 1o1p h PHE 71 CO 0.05 0.27 0.32 1.03 -2.23 0.00 0.00 178.31 177.75 1o1p h SER 72 N 0.54 0.41 0.15 0.41 0.87 -0.23 0.47 113.55 116.17 1o1p h SER 72 Ca 0.21 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1o1p h SER 72 Cb 0.08 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1o1p h SER 72 CO -0.12 0.24 -0.12 0.44 -0.53 0.00 0.00 176.83 176.74 1o1p h ASP 73 N 0.56 0.00 -0.10 6.23 5.19 -0.73 -2.13 116.42 125.44 1o1p h ASP 73 Ca 0.33 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.61 1o1p h ASP 73 Cb 0.35 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1o1p h ASP 73 CO -0.27 0.12 -0.36 1.23 -3.12 0.00 0.00 179.24 176.84 1o1p h GLY 74 N 0.43 0.66 2.00 2.75 0.00 -0.22 -2.95 103.07 105.74 1o1p h GLY 74 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1o1p h GLY 74 CO 0.02 0.57 0.00 1.41 0.00 0.00 0.00 176.54 178.54 1o1p h LEU 75 N 0.51 0.00 -0.37 3.11 3.38 -0.92 -0.34 115.31 120.68 1o1p h LEU 75 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1o1p h LEU 75 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1o1p h LEU 75 CO 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.57 1o1p n ALA 76 N -2.03 2.68 -2.70 1.53 0.00 -1.11 -3.83 120.51 115.05 1o1p n ALA 76 Ca -0.01 -0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.07 1o1p n ALA 76 Cb 0.16 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.29 1o1p n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1p n HIS 77 N -0.64 1.44 0.24 0.00 8.25 -0.15 -4.92 115.22 119.46 1o1p n HIS 77 Ca 0.19 -2.43 0.18 0.00 -0.26 0.00 0.00 57.72 55.40 1o1p n HIS 77 Cb 0.24 -0.28 0.89 0.00 1.12 0.00 0.00 29.99 31.96 1o1p n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1o1p h LEU 78 N 2.71 0.00 -0.27 2.41 -0.00 -1.64 -1.51 115.31 117.01 1o1p h LEU 78 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1o1p h LEU 78 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1o1p h LEU 78 CO 0.37 0.00 0.00 0.47 -0.00 0.00 0.00 178.44 179.28 1o1p n ASP 79 N -3.57 0.56 -2.92 -0.43 9.92 -1.26 0.19 116.55 119.05 1o1p n ASP 79 Ca 0.00 0.59 -0.13 0.00 -0.53 0.00 0.00 54.79 54.73 1o1p n ASP 79 Cb 0.29 -0.73 0.04 0.00 -0.64 0.00 0.00 41.12 40.08 1o1p n ASP 79 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1o1p n ASN 80 N -2.07 -1.11 -0.34 -2.24 2.85 -0.57 -3.26 115.26 108.52 1o1p n ASN 80 Ca 0.04 -3.39 0.01 0.00 -0.11 0.00 0.00 54.58 51.13 1o1p n ASN 80 Cb 0.31 0.89 0.17 0.00 1.24 0.00 0.00 39.78 42.39 1o1p n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1o1p h LEU 81 N 3.10 1.04 -0.13 1.20 3.38 -1.73 -1.70 115.31 120.46 1o1p h LEU 81 Ca -0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1o1p h LEU 81 Cb 1.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1o1p h LEU 81 CO 0.29 0.71 0.07 0.11 0.09 0.00 0.00 178.44 179.71 1o1p h LYS 82 N 1.20 0.19 -0.57 1.13 1.57 -1.91 -1.77 116.57 116.41 1o1p h LYS 82 Ca 0.38 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 59.08 1o1p h LYS 82 Cb 0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1o1p h LYS 82 CO -0.12 0.21 0.11 0.78 -0.57 0.00 0.00 179.45 179.86 1o1p h GLY 83 N 0.12 0.96 1.67 3.86 0.00 -1.86 -1.88 103.07 105.94 1o1p h GLY 83 Ca 0.05 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 1o1p h GLY 83 CO -0.01 0.54 -0.17 -0.84 0.00 0.00 0.00 176.54 176.06 1o1p h THR 84 N 0.85 1.23 -0.29 4.70 2.02 -1.02 -3.27 112.91 117.13 1o1p h THR 84 Ca 0.18 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1o1p h THR 84 Cb 0.35 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1o1p h THR 84 CO 0.00 0.33 0.00 0.49 0.37 0.00 0.00 175.52 176.72 1o1p n PHE 85 N -4.19 0.38 -0.18 3.16 3.72 -0.69 -4.68 117.46 114.99 1o1p n PHE 85 Ca -0.00 -0.31 -0.04 0.00 -0.05 0.00 0.00 57.45 57.05 1o1p n PHE 85 Cb 0.34 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 38.92 1o1p n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o1p h ALA 86 N 2.75 0.68 -0.27 4.37 0.00 -1.40 0.41 119.26 125.80 1o1p h ALA 86 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1o1p h ALA 86 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1o1p h ALA 86 CO 0.00 -0.06 0.06 1.15 0.00 0.00 0.00 179.25 180.40 1o1p h THR 87 N 0.54 1.22 -0.14 0.00 2.02 -1.85 -0.89 112.91 113.81 1o1p h THR 87 Ca 0.23 -0.74 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 1o1p h THR 87 Cb 0.12 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1o1p h THR 87 CO -0.15 0.24 -0.16 -0.07 0.37 0.00 0.00 175.52 175.75 1o1p h LEU 88 N 0.27 0.22 -0.25 2.58 3.38 -1.79 -0.67 115.31 119.04 1o1p h LEU 88 Ca 0.08 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1o1p h LEU 88 Cb 0.31 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1o1p h LEU 88 CO 0.00 0.40 0.15 -1.28 0.09 0.00 0.00 178.44 177.80 1o1p h SER 89 N 0.22 0.30 -0.62 -0.43 0.87 0.47 -0.64 113.55 113.72 1o1p h SER 89 Ca 0.04 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1o1p h SER 89 Cb 0.41 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1o1p h SER 89 CO 0.03 0.27 0.40 -0.33 -0.53 0.00 0.00 176.83 176.67 1o1p h GLU 90 N 0.31 0.79 -0.51 2.24 5.08 -0.77 -1.52 114.58 120.20 1o1p h GLU 90 Ca 0.09 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1o1p h GLU 90 Cb 0.02 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 1o1p h GLU 90 CO -0.02 0.52 0.25 1.25 -1.00 0.00 0.00 179.01 180.01 1o1p h LEU 91 N 0.82 0.35 -0.65 1.33 5.85 -0.82 -0.68 115.31 121.49 1o1p h LEU 91 Ca 0.23 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.84 1o1p h LEU 91 Cb -0.07 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1o1p h LEU 91 CO -0.06 0.24 -0.65 0.45 -0.34 0.00 0.00 178.44 178.07 1o1p h HIS 92 N 0.48 0.13 0.02 1.25 3.86 -0.61 -1.22 115.15 119.06 1o1p h HIS 92 Ca 0.23 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1o1p h HIS 92 Cb 0.15 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1o1p h HIS 92 CO -0.11 0.72 -0.01 0.00 0.86 0.00 0.00 177.93 179.39 1o1p h ALA 93 N 1.27 -0.03 0.04 2.45 0.00 -0.98 -0.89 119.26 121.12 1o1p h ALA 93 Ca -0.01 -0.36 -0.31 0.00 0.00 0.00 0.00 54.91 54.24 1o1p h ALA 93 Cb 1.16 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1o1p h ALA 93 CO 0.09 -0.08 -1.72 -0.44 0.00 0.00 0.00 179.25 177.11 1o1p h ASP 94 N -0.92 0.14 0.00 0.00 3.32 -1.20 -3.31 116.42 114.46 1o1p h ASP 94 Ca -0.00 -0.29 -0.37 0.00 0.02 0.00 0.00 57.03 56.39 1o1p h ASP 94 Cb 0.72 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.17 1o1p h ASP 94 CO 0.01 1.26 -2.26 0.29 -1.72 0.00 0.00 179.24 176.81 1o1p n LYS 95 N -3.21 0.50 0.14 3.56 4.76 -0.52 -4.67 118.16 118.71 1o1p n LYS 95 Ca -0.19 0.18 0.09 0.00 -2.87 0.00 0.00 58.31 55.52 1o1p n LYS 95 Cb 1.04 -1.35 0.05 0.00 -1.84 0.00 0.00 35.03 32.93 1o1p n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1o1p h LEU 96 N -0.55 0.00 -2.41 -0.35 3.38 -1.46 -3.48 115.31 110.44 1o1p h LEU 96 Ca -0.55 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.00 1o1p h LEU 96 Cb 1.59 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.41 1o1p h LEU 96 CO -0.26 0.16 -0.88 1.41 0.09 0.00 0.00 178.44 178.96 1o1p n HIS 97 N -2.94 -1.93 -3.50 1.13 8.25 -0.46 -4.98 115.22 110.80 1o1p n HIS 97 Ca 0.00 0.68 -0.38 0.00 -0.26 0.00 0.00 57.72 57.76 1o1p n HIS 97 Cb 0.61 -3.91 -0.09 0.00 1.12 0.00 0.00 29.99 27.72 1o1p n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1o1p s VAL 98 N -3.61 5.25 -0.03 1.59 1.01 -0.51 -5.03 120.40 119.08 1o1p s VAL 98 Ca 0.23 0.42 -0.32 0.00 0.00 0.00 0.00 61.98 62.31 1o1p s VAL 98 Cb -0.07 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 1o1p s VAL 98 CO 0.83 0.24 1.92 -0.67 0.00 0.00 0.00 175.10 177.42 1o1p n ASP 99 N 4.86 3.77 0.28 3.32 -0.08 -1.26 -4.75 116.55 122.68 1o1p n ASP 99 Ca -0.11 0.94 0.17 0.00 -1.51 0.00 0.00 54.79 54.28 1o1p n ASP 99 Cb 0.51 -1.44 0.91 0.00 2.34 0.00 0.00 41.12 43.44 1o1p n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1o1p h PRO 100 N 9.75 0.00 -0.13 -0.67 0.11 -1.96 -0.56 132.00 138.54 1o1p h PRO 100 Ca -0.49 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1o1p h PRO 100 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1o1p h PRO 100 CO 0.94 0.00 0.12 1.49 -0.21 0.00 0.00 178.00 180.34 1o1p h GLU 101 N 0.00 0.00 -0.02 1.05 4.57 -1.98 0.33 114.58 118.53 1o1p h GLU 101 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1o1p h GLU 101 Cb 0.17 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1o1p h GLU 101 CO 0.00 0.00 -0.10 -0.91 -1.18 0.00 0.00 179.01 176.82 1o1p h ASN 102 N 0.00 0.03 -0.00 1.04 2.35 -1.46 -1.51 115.58 116.02 1o1p h ASN 102 Ca 0.06 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 1o1p h ASN 102 Cb 0.29 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1o1p h ASN 102 CO -0.00 0.13 -0.24 -0.26 -1.65 0.00 0.00 177.43 175.41 1o1p h PHE 103 N 0.03 0.44 -0.02 1.19 0.04 -1.11 -0.17 116.94 117.35 1o1p h PHE 103 Ca 0.01 -0.09 -0.26 0.00 2.80 0.00 0.00 57.97 60.43 1o1p h PHE 103 Cb 0.19 -0.11 0.02 0.00 2.20 0.00 0.00 35.95 38.25 1o1p h PHE 103 CO 0.00 0.62 -1.01 0.00 -0.60 0.00 0.00 178.31 177.32 1o1p h ARG 104 N 0.36 0.70 -0.65 1.51 3.08 -1.33 -1.12 114.38 116.94 1o1p h ARG 104 Ca 0.06 -0.73 -0.00 0.00 0.07 0.00 0.00 59.98 59.37 1o1p h ARG 104 Cb 0.62 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 1o1p h ARG 104 CO 0.04 1.31 0.40 -0.07 -1.07 0.00 0.00 179.97 180.59 1o1p h LEU 105 N 0.41 0.78 -1.17 3.04 3.38 -1.13 -1.61 115.31 119.01 1o1p h LEU 105 Ca -0.12 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1o1p h LEU 105 Cb 1.66 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 1o1p h LEU 105 CO 0.20 0.60 0.26 0.25 0.09 0.00 0.00 178.44 179.84 1o1p h LEU 106 N 0.88 0.76 -0.93 1.67 5.85 -0.93 -1.76 115.31 120.86 1o1p h LEU 106 Ca 0.23 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1o1p h LEU 106 Cb -0.04 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1o1p h LEU 106 CO -0.05 0.66 0.61 1.23 -0.34 0.00 0.00 178.44 180.56 1o1p h GLY 107 N 0.94 1.36 1.04 3.75 0.00 -0.40 -0.29 103.07 109.48 1o1p h GLY 107 Ca 0.20 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 1o1p h GLY 107 CO -0.02 0.40 -0.20 0.50 0.00 0.00 0.00 176.54 177.22 1o1p h LYS 108 N 1.18 0.87 -0.54 4.80 1.57 -0.53 -2.49 116.57 121.43 1o1p h LYS 108 Ca 0.37 -0.38 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1o1p h LYS 108 Cb -0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1o1p h LYS 108 CO -0.12 1.02 -0.09 0.28 -0.57 0.00 0.00 179.45 179.98 1o1p h VAL 109 N 0.69 1.27 -0.59 0.50 2.07 -1.07 -2.59 116.25 116.52 1o1p h VAL 109 Ca 0.09 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.40 1o1p h VAL 109 Cb 0.76 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1o1p h VAL 109 CO 0.06 0.44 0.36 0.25 0.02 0.00 0.00 177.57 178.70 1o1p h LEU 110 N 0.90 0.57 -0.74 2.57 5.85 -0.93 -0.23 115.31 123.31 1o1p h LEU 110 Ca 0.14 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1o1p h LEU 110 Cb 0.66 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1o1p h LEU 110 CO 0.05 0.40 0.44 0.58 -0.34 0.00 0.00 178.44 179.57 1o1p h VAL 111 N 0.70 1.21 -0.84 1.05 2.07 -1.37 -1.06 116.25 118.01 1o1p h VAL 111 Ca 0.24 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1o1p h VAL 111 Cb 0.04 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 1o1p h VAL 111 CO -0.11 0.22 0.51 0.00 0.02 0.00 0.00 177.57 178.22 1o1p h VAL 113 N 1.15 1.28 -0.78 0.00 2.07 -0.55 -1.14 116.25 118.29 1o1p h VAL 113 Ca 0.30 -1.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 1o1p h VAL 113 Cb -0.06 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1o1p h VAL 113 CO -0.06 0.58 0.42 -0.07 0.02 0.00 0.00 177.57 178.46 1o1p h LEU 114 N 0.60 0.98 -0.59 2.57 3.38 -1.04 0.57 115.31 121.77 1o1p h LEU 114 Ca -0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1o1p h LEU 114 Cb 1.20 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1o1p h LEU 114 CO 0.13 0.80 0.26 0.00 0.09 0.00 0.00 178.44 179.72 1o1p h ALA 115 N 1.22 0.77 -0.48 1.53 0.00 -1.24 0.17 119.26 121.23 1o1p h ALA 115 Ca 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1o1p h ALA 115 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1o1p h ALA 115 CO -0.04 0.36 0.19 1.25 0.00 0.00 0.00 179.25 181.01 1o1p h HIS 116 N 0.81 0.73 -0.15 0.00 -0.00 -0.75 0.12 115.15 115.92 1o1p h HIS 116 Ca 0.20 -0.06 -0.18 0.00 -0.00 0.00 0.00 60.37 60.34 1o1p h HIS 116 Cb 0.17 -0.22 0.01 0.00 -0.00 0.00 0.00 27.41 27.37 1o1p h HIS 116 CO 0.01 0.62 -0.59 1.25 -0.00 0.00 0.00 177.93 179.21 1o1p h HIS 117 N 0.63 0.88 0.00 5.26 6.17 -0.73 -3.36 115.15 124.01 1o1p h HIS 117 Ca 0.16 -0.37 0.00 0.00 0.71 0.00 0.00 60.37 60.86 1o1p h HIS 117 Cb 0.20 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 29.99 1o1p h HIS 117 CO 0.00 1.17 -1.56 1.19 0.71 0.00 0.00 177.93 179.45 1o1p n PHE 118 N -4.11 0.11 0.00 5.26 3.72 0.03 -5.04 117.46 117.43 1o1p n PHE 118 Ca -0.07 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1o1p n PHE 118 Cb 0.65 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 1o1p n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o1p n GLY 119 N 1.32 3.72 0.29 1.37 0.00 0.42 -2.95 105.19 109.37 1o1p n GLY 119 Ca -0.01 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.14 1o1p n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1o1p h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.96 0.04 116.57 118.35 1o1p h LYS 120 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1o1p h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1o1p h LYS 120 CO 0.00 0.02 -0.06 1.49 -2.00 0.00 0.00 179.45 178.90 1o1p h GLU 121 N 0.00 0.00 -3.63 0.07 4.81 -1.93 -3.27 114.58 110.63 1o1p h GLU 121 Ca -0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 1o1p h GLU 121 Cb 0.05 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.30 1o1p h GLU 121 CO 0.00 0.06 2.29 0.34 -0.73 0.00 0.00 179.01 180.97 1o1p n PHE 122 N -3.24 3.09 -1.22 0.92 7.35 -0.00 -4.93 117.46 119.44 1o1p n PHE 122 Ca -0.01 -2.84 -0.30 0.00 -0.76 0.00 0.00 57.45 53.55 1o1p n PHE 122 Cb 0.27 -2.10 0.14 0.00 0.35 0.00 0.00 39.48 38.14 1o1p n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1p s THR 123 N 1.08 2.60 0.26 -2.13 -4.23 -1.24 -4.69 115.64 107.29 1o1p s THR 123 Ca 0.41 0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 61.10 1o1p s THR 123 Cb 0.11 -2.69 0.24 0.00 1.34 0.00 0.00 72.50 71.49 1o1p s THR 123 CO -0.02 -0.25 1.74 -0.65 -0.54 0.00 0.00 174.62 174.90 1o1p h PRO 124 N -1.57 0.50 -0.22 3.99 0.11 -1.94 0.37 132.00 133.25 1o1p h PRO 124 Ca -0.50 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 1o1p h PRO 124 Cb 1.29 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1o1p h PRO 124 CO 0.55 0.33 -0.23 -1.35 -0.21 0.00 0.00 178.00 177.09 1o1p h PRO 125 N 0.52 0.39 -0.30 1.05 0.11 -1.99 -1.68 132.00 130.10 1o1p h PRO 125 Ca 0.46 -0.14 -0.16 0.00 0.11 0.00 0.00 66.00 66.28 1o1p h PRO 125 Cb 0.70 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1o1p h PRO 125 CO -0.40 0.61 -0.43 0.28 -0.21 0.00 0.00 178.00 177.84 1o1p h VAL 126 N 0.35 1.29 -0.68 3.15 2.07 -1.55 -2.68 116.25 118.21 1o1p h VAL 126 Ca 0.06 -1.62 -0.05 0.00 0.82 0.00 0.00 66.70 65.91 1o1p h VAL 126 Cb 0.60 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1o1p h VAL 126 CO 0.04 0.52 0.24 -0.61 0.02 0.00 0.00 177.57 177.79 1o1p h GLN 127 N 0.62 1.03 -0.65 1.57 4.15 -0.79 -1.79 115.11 119.24 1o1p h GLN 127 Ca 0.04 -0.20 0.03 0.00 0.77 0.00 0.00 58.65 59.29 1o1p h GLN 127 Cb 0.99 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.48 1o1p h GLN 127 CO 0.09 0.88 0.40 0.00 -1.93 0.00 0.00 178.83 178.27 1o1p h ALA 128 N 1.11 0.85 -0.35 3.38 0.00 -1.21 0.29 119.26 123.34 1o1p h ALA 128 Ca 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1o1p h ALA 128 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1o1p h ALA 128 CO -0.01 0.16 0.21 0.00 0.00 0.00 0.00 179.25 179.61 1o1p h ALA 129 N 1.28 0.45 -0.08 0.00 0.00 -1.18 -2.31 119.26 117.41 1o1p h ALA 129 Ca 0.26 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1o1p h ALA 129 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1o1p h ALA 129 CO -0.11 -0.06 -0.27 1.88 0.00 0.00 0.00 179.25 180.70 1o1p h TYR 130 N 0.46 0.16 -0.06 0.00 0.05 -0.75 -2.11 116.97 114.72 1o1p h TYR 130 Ca 0.13 -0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.80 1o1p h TYR 130 Cb 0.00 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 1o1p h TYR 130 CO -0.04 0.41 -0.32 1.96 -1.05 0.00 0.00 178.16 179.11 1o1p h GLN 131 N 0.14 0.11 -0.28 4.88 1.08 0.00 -0.18 115.11 120.86 1o1p h GLN 131 Ca 0.02 -0.04 -0.16 0.00 -1.45 0.00 0.00 58.65 57.03 1o1p h GLN 131 Cb 0.55 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1o1p h GLN 131 CO 0.04 0.43 -0.46 0.87 -0.95 0.00 0.00 178.83 178.76 1o1p h LYS 132 N 0.10 0.72 -0.23 1.46 1.57 -0.86 -2.57 116.57 116.75 1o1p h LYS 132 Ca 0.01 -0.40 -0.10 0.00 -1.87 0.00 0.00 60.65 58.29 1o1p h LYS 132 Cb 0.63 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1o1p h LYS 132 CO 0.05 1.02 -0.24 0.28 -0.57 0.00 0.00 179.45 179.99 1o1p h VAL 133 N 0.57 1.32 -0.13 0.50 2.07 -0.87 -1.26 116.25 118.45 1o1p h VAL 133 Ca 0.03 -1.41 -0.11 0.00 0.82 0.00 0.00 66.70 66.03 1o1p h VAL 133 Cb 1.01 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1o1p h VAL 133 CO 0.10 0.44 -0.42 -0.37 0.02 0.00 0.00 177.57 177.33 1o1p h VAL 134 N 0.27 1.31 -0.47 2.57 -1.51 -1.08 -0.24 116.25 117.10 1o1p h VAL 134 Ca 0.04 -1.56 -0.07 0.00 -1.23 0.00 0.00 66.70 63.87 1o1p h VAL 134 Cb 0.80 1.69 -0.02 0.00 -2.13 0.00 0.00 31.29 31.62 1o1p h VAL 134 CO 0.06 0.47 0.02 0.00 -1.23 0.00 0.00 177.57 176.89 1o1p h ALA 135 N 1.32 0.63 -0.56 5.19 0.00 -1.40 -0.52 119.26 123.92 1o1p h ALA 135 Ca 0.02 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1o1p h ALA 135 Cb 0.85 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1o1p h ALA 135 CO 0.07 0.41 0.01 0.78 0.00 0.00 0.00 179.25 180.52 1o1p h GLY 136 N 0.68 1.03 0.90 0.00 0.00 -0.99 -0.41 103.07 104.28 1o1p h GLY 136 Ca 0.14 -0.72 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 1o1p h GLY 136 CO 0.02 0.67 -0.10 -2.08 0.00 0.00 0.00 176.54 175.04 1o1p h VAL 137 N 0.89 1.29 -1.00 4.60 2.07 -0.92 -0.37 116.25 122.81 1o1p h VAL 137 Ca 0.17 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1o1p h VAL 137 Cb 0.50 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1o1p h VAL 137 CO 0.02 0.37 0.66 0.00 0.02 0.00 0.00 177.57 178.65 1o1p h ALA 138 N 0.77 1.28 -0.68 1.67 0.00 -0.96 -0.58 119.26 120.77 1o1p h ALA 138 Ca 0.07 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1o1p h ALA 138 Cb 0.60 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1o1p h ALA 138 CO 0.04 0.64 0.13 -0.91 0.00 0.00 0.00 179.25 179.15 1o1p h ASN 139 N 1.34 1.05 -0.73 0.00 2.35 -0.97 -1.92 115.58 116.70 1o1p h ASN 139 Ca 0.37 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1o1p h ASN 139 Cb -0.13 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 37.93 1o1p h ASN 139 CO -0.09 1.02 0.31 0.00 -1.65 0.00 0.00 177.43 177.03 1o1p h ALA 140 N 1.10 0.95 0.00 -0.83 0.00 -0.45 -2.55 119.26 117.47 1o1p h ALA 140 Ca 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1o1p h ALA 140 Cb 0.41 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1o1p h ALA 140 CO 0.01 0.55 -0.19 -0.07 0.00 0.00 0.00 179.25 179.56 1o1p h LEU 141 N 1.04 0.00 -0.27 0.00 3.38 -0.96 -3.07 115.31 115.43 1o1p h LEU 141 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1o1p h LEU 141 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1o1p h LEU 141 CO -0.02 0.19 -0.32 0.00 0.09 0.00 0.00 178.44 178.38 1o1p n ALA 142 N -2.21 3.18 0.15 1.53 0.00 -0.74 -4.40 120.51 118.03 1o1p n ALA 142 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 53.44 53.11 1o1p n ALA 142 Cb 0.41 -1.16 0.38 0.00 0.00 0.00 0.00 19.45 19.08 1o1p n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1o1p h HIS 143 N 0.66 0.16 -0.24 0.00 6.17 -1.37 -2.89 115.15 117.64 1o1p h HIS 143 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.06 1o1p h HIS 143 Cb 0.49 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.37 1o1p h HIS 143 CO 0.00 0.37 0.00 1.63 0.71 0.00 0.00 177.93 180.64 1o1p n LYS 144 N -4.22 1.98 -2.52 5.26 4.76 -1.26 -4.89 118.16 117.27 1o1p n LYS 144 Ca -0.01 -1.47 -0.42 0.00 -2.87 0.00 0.00 58.31 53.53 1o1p n LYS 144 Cb 0.31 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 1o1p n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1o1p s TYR 145 N -1.69 3.27 0.00 2.13 1.51 -1.09 -4.84 117.35 116.63 1o1p s TYR 145 Ca 0.34 1.31 0.00 0.00 -1.01 0.00 0.00 57.07 57.71 1o1p s TYR 145 Cb 0.19 -3.36 0.00 0.00 -0.11 0.00 0.00 41.96 38.68 1o1p s TYR 145 CO 0.27 -1.04 0.00 0.72 -1.11 0.00 0.00 175.55 174.40