#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgh s HIS 2 N 0.00 2.54 0.66 6.34 5.65 -1.26 -4.54 115.29 124.68 2pgh s HIS 2 Ca 0.00 -2.53 -0.07 0.00 0.25 0.00 0.00 55.06 52.71 2pgh s HIS 2 Cb 0.00 -2.26 0.04 0.00 -1.18 0.00 0.00 32.58 29.18 2pgh s HIS 2 CO 0.00 -0.83 0.97 -0.51 -0.65 0.00 0.00 174.74 173.72 2pgh s LEU 3 N 0.66 2.99 0.00 8.88 1.43 -1.26 -5.09 118.68 126.29 2pgh s LEU 3 Ca 0.14 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 2pgh s LEU 3 Cb -0.22 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.66 2pgh s LEU 3 CO -0.08 -1.36 0.00 -1.54 0.23 0.00 0.00 176.35 173.60 2pgh n SER 4 N -2.79 0.00 -0.05 2.29 3.41 -1.26 -4.91 113.62 110.31 2pgh n SER 4 Ca 0.06 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.75 2pgh n SER 4 Cb 0.59 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.46 2pgh n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pgh n ALA 5 N -3.00 3.95 -0.11 7.33 0.00 -1.26 -3.80 120.51 123.63 2pgh n ALA 5 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 53.44 52.84 2pgh n ALA 5 Cb 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 19.45 18.77 2pgh n ALA 5 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2pgh n GLU 6 N -1.21 0.69 0.21 0.00 0.00 -1.26 -4.31 120.64 114.75 2pgh n GLU 6 Ca 0.03 0.10 0.05 0.00 0.00 0.00 0.00 57.16 57.34 2pgh n GLU 6 Cb 0.26 -1.44 0.44 0.00 0.00 0.00 0.00 31.44 30.70 2pgh n GLU 6 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2pgh h GLU 7 N 0.00 0.00 -0.38 3.44 5.08 -1.94 -1.90 114.58 118.88 2pgh h GLU 7 Ca -0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2pgh h GLU 7 Cb 1.83 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 2pgh h GLU 7 CO -0.05 0.29 0.22 0.87 -1.00 0.00 0.00 179.01 179.33 2pgh h LYS 8 N 0.00 0.51 0.08 2.33 1.57 -1.75 -2.81 116.57 116.49 2pgh h LYS 8 Ca -0.00 -0.04 -0.29 0.00 -1.87 0.00 0.00 60.65 58.44 2pgh h LYS 8 Cb 0.54 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2pgh h LYS 8 CO 0.04 0.37 -1.53 0.93 -0.57 0.00 0.00 179.45 178.69 2pgh h GLU 9 N 0.52 0.16 -0.18 3.15 5.08 -1.56 -2.76 114.58 118.99 2pgh h GLU 9 Ca 0.14 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2pgh h GLU 9 Cb -0.00 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2pgh h GLU 9 CO -0.02 0.97 -0.07 0.00 -1.00 0.00 0.00 179.01 178.88 2pgh h ALA 10 N 0.64 0.08 0.40 3.43 0.00 -1.19 -0.65 119.26 121.98 2pgh h ALA 10 Ca -0.23 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2pgh h ALA 10 Cb 1.98 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.95 2pgh h ALA 10 CO 0.13 -0.50 -0.19 0.28 0.00 0.00 0.00 179.25 178.97 2pgh h VAL 11 N -0.04 0.00 -1.19 0.00 2.07 -1.65 -3.04 116.25 112.40 2pgh h VAL 11 Ca 0.09 -0.37 0.34 0.00 0.82 0.00 0.00 66.70 67.58 2pgh h VAL 11 Cb 0.18 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.86 2pgh h VAL 11 CO -0.21 0.00 0.80 -0.07 0.02 0.00 0.00 177.57 178.12 2pgh h LEU 12 N -0.92 0.24 0.18 2.57 3.38 -1.52 -1.51 115.31 117.73 2pgh h LEU 12 Ca -0.06 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2pgh h LEU 12 Cb 0.41 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2pgh h LEU 12 CO 0.09 -0.00 -0.09 1.23 0.09 0.00 0.00 178.44 179.76 2pgh h GLY 13 N 0.19 -0.25 0.80 0.83 0.00 -1.14 -3.28 103.07 100.21 2pgh h GLY 13 Ca 0.65 0.09 0.00 0.00 0.00 0.00 0.00 47.33 48.07 2pgh h GLY 13 CO -0.22 -0.09 -0.02 1.47 0.00 0.00 0.00 176.54 177.68 2pgh n LEU 14 N -5.00 0.35 0.19 3.11 -0.00 -0.67 -2.55 117.00 112.42 2pgh n LEU 14 Ca -0.09 -0.05 0.13 0.00 -0.00 0.00 0.00 56.01 56.00 2pgh n LEU 14 Cb 0.25 -0.07 0.34 0.00 -0.00 0.00 0.00 43.42 43.94 2pgh n LEU 14 CO 0.30 0.06 0.86 -0.25 -0.00 0.00 0.00 177.39 178.36 2pgh h TRP 15 N 0.52 0.00 -0.00 1.47 2.91 -1.37 -3.00 115.95 116.47 2pgh h TRP 15 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2pgh h TRP 15 Cb 0.19 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.84 2pgh h TRP 15 CO 0.00 0.00 -0.10 0.41 -1.03 0.00 0.00 178.44 177.72 2pgh n GLY 16 N 0.92 -0.88 0.00 2.65 0.00 -1.06 -3.64 105.19 103.18 2pgh n GLY 16 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2pgh n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pgh n LYS 17 N -0.88 1.48 -3.91 1.61 5.02 -1.14 -4.97 118.16 115.38 2pgh n LYS 17 Ca 0.15 -1.10 -0.35 0.00 -2.02 0.00 0.00 58.31 54.99 2pgh n LYS 17 Cb 0.27 -0.98 -0.13 0.00 -0.02 0.00 0.00 35.03 34.17 2pgh n LYS 17 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2pgh s VAL 18 N -0.61 3.86 -1.18 -0.18 -7.23 -1.21 -5.00 120.40 108.85 2pgh s VAL 18 Ca 0.00 -0.33 -0.22 0.00 -1.81 0.00 0.00 61.98 59.62 2pgh s VAL 18 Cb 0.00 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 2pgh s VAL 18 CO 0.00 0.40 1.85 0.21 -0.31 0.00 0.00 175.10 177.25 2pgh s ASN 19 N 1.38 5.65 0.60 4.85 2.47 -1.26 -4.78 114.94 123.85 2pgh s ASN 19 Ca 0.05 -1.78 0.28 0.00 0.42 0.00 0.00 52.86 51.83 2pgh s ASN 19 Cb -0.15 -2.58 1.00 0.00 -1.45 0.00 0.00 41.25 38.08 2pgh s ASN 19 CO 0.01 -2.41 1.35 -0.37 -3.72 0.00 0.00 177.10 171.97 2pgh h VAL 20 N 6.15 0.02 0.35 -5.21 -1.51 -1.95 0.64 116.25 114.74 2pgh h VAL 20 Ca 0.27 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.72 2pgh h VAL 20 Cb 0.93 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 2pgh h VAL 20 CO 1.30 0.00 -0.17 0.44 -1.23 0.00 0.00 177.57 177.91 2pgh h ASP 21 N 0.00 -0.40 -0.12 4.19 5.19 -1.92 0.47 116.42 123.83 2pgh h ASP 21 Ca 0.51 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.77 2pgh h ASP 21 Cb 2.89 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 42.50 2pgh h ASP 21 CO -0.01 -0.13 -0.11 -0.33 -3.12 0.00 0.00 179.24 175.54 2pgh h GLU 22 N -0.66 0.28 -0.38 3.56 5.08 -1.29 -2.99 114.58 118.17 2pgh h GLU 22 Ca -0.05 -0.15 0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2pgh h GLU 22 Cb 0.47 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.64 2pgh h GLU 22 CO 0.08 0.69 -0.23 0.28 -1.00 0.00 0.00 179.01 178.82 2pgh h VAL 23 N -0.12 0.36 -0.67 3.13 2.07 -1.50 0.13 116.25 119.66 2pgh h VAL 23 Ca 0.02 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.71 2pgh h VAL 23 Cb 0.63 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2pgh h VAL 23 CO 0.03 0.00 0.47 1.23 0.02 0.00 0.00 177.57 179.32 2pgh h GLY 24 N -0.17 0.24 1.44 2.17 0.00 -0.88 0.39 103.07 106.25 2pgh h GLY 24 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 2pgh h GLY 24 CO -0.48 0.02 -0.59 -1.33 0.00 0.00 0.00 176.54 174.15 2pgh h GLY 25 N 0.13 0.00 0.91 4.60 0.00 -0.70 -3.20 103.07 104.81 2pgh h GLY 25 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.31 2pgh h GLY 25 CO -0.04 0.00 -1.77 -2.09 0.00 0.00 0.00 176.54 172.64 2pgh h GLU 26 N 0.00 0.27 0.78 4.80 4.81 0.18 -3.14 114.58 122.28 2pgh h GLU 26 Ca -0.01 -0.47 -0.04 0.00 -0.13 0.00 0.00 59.36 58.72 2pgh h GLU 26 Cb 1.03 0.17 0.01 0.00 0.63 0.00 0.00 28.75 30.59 2pgh h GLU 26 CO 0.00 1.15 -0.38 0.00 -0.73 0.00 0.00 179.01 179.05 2pgh h ALA 27 N 0.29 -1.05 -0.93 2.92 0.00 -0.88 0.18 119.26 119.79 2pgh h ALA 27 Ca -0.34 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.41 2pgh h ALA 27 Cb 2.05 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 20.18 2pgh h ALA 27 CO 0.13 -1.03 0.58 1.25 0.00 0.00 0.00 179.25 180.19 2pgh h LEU 28 N -1.17 0.92 -0.24 0.00 5.85 -1.75 0.21 115.31 119.12 2pgh h LEU 28 Ca -0.11 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 2pgh h LEU 28 Cb 0.82 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 2pgh h LEU 28 CO 0.18 0.57 -0.32 1.23 -0.34 0.00 0.00 178.44 179.76 2pgh h GLY 29 N 1.04 0.71 1.21 3.75 0.00 -1.53 -2.66 103.07 105.59 2pgh h GLY 29 Ca 0.41 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 2pgh h GLY 29 CO -0.19 0.69 0.29 -0.09 0.00 0.00 0.00 176.54 177.24 2pgh h ARG 30 N 0.36 1.01 0.00 4.80 9.65 0.18 -2.22 114.38 128.17 2pgh h ARG 30 Ca 0.03 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 2pgh h ARG 30 Cb 0.90 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 2pgh h ARG 30 CO 0.08 0.81 0.00 -0.11 2.80 0.00 0.00 179.97 183.55 2pgh n LEU 31 N -4.31 0.00 -0.45 3.80 7.94 0.65 -1.19 117.00 123.44 2pgh n LEU 31 Ca 0.06 0.96 0.38 0.00 -1.11 0.00 0.00 56.01 56.30 2pgh n LEU 31 Cb 0.16 -0.46 0.66 0.00 0.53 0.00 0.00 43.42 44.32 2pgh n LEU 31 CO 0.39 -0.46 1.22 -0.07 -1.11 0.00 0.00 177.39 177.36 2pgh h LEU 32 N 0.00 0.23 0.17 -1.96 4.07 -1.40 1.01 115.31 117.42 2pgh h LEU 32 Ca 0.00 0.16 -0.30 0.00 0.08 0.00 0.00 57.88 57.82 2pgh h LEU 32 Cb 0.00 0.16 0.02 0.00 1.08 0.00 0.00 40.66 41.92 2pgh h LEU 32 CO 0.00 -0.25 -1.32 -0.37 -1.08 0.00 0.00 178.44 175.42 2pgh h VAL 33 N 0.04 1.41 0.03 1.22 -1.51 -1.31 -3.32 116.25 112.82 2pgh h VAL 33 Ca 0.86 -2.90 -0.00 0.00 -1.23 0.00 0.00 66.70 63.43 2pgh h VAL 33 Cb 2.69 2.96 0.00 0.00 -2.13 0.00 0.00 31.29 34.81 2pgh h VAL 33 CO -0.48 0.85 -0.02 0.58 -1.23 0.00 0.00 177.57 177.28 2pgh h VAL 34 N 0.11 1.36 -3.35 7.19 2.07 0.23 -3.37 116.25 120.49 2pgh h VAL 34 Ca -0.18 -1.72 -0.79 0.00 0.82 0.00 0.00 66.70 64.83 2pgh h VAL 34 Cb 2.03 2.43 -0.29 0.00 -1.52 0.00 0.00 31.29 33.95 2pgh h VAL 34 CO 0.23 0.41 0.50 -1.22 0.02 0.00 0.00 177.57 177.51 2pgh n TYR 35 N -4.74 4.37 -0.29 1.57 4.01 0.14 -4.94 117.16 117.28 2pgh n TYR 35 Ca -0.08 -3.57 0.07 0.00 -0.16 0.00 0.00 57.90 54.16 2pgh n TYR 35 Cb 0.34 -1.53 0.18 0.00 -0.31 0.00 0.00 39.34 38.02 2pgh n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2pgh h PRO 36 N 6.23 0.06 0.00 -0.72 0.11 -1.74 -2.28 132.00 133.67 2pgh h PRO 36 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2pgh h PRO 36 Cb 0.79 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2pgh h PRO 36 CO 1.09 0.04 0.29 -2.67 -0.21 0.00 0.00 178.00 176.54 2pgh n TRP 37 N -5.42 0.31 1.05 0.65 2.14 -1.26 -0.59 117.44 114.32 2pgh n TRP 37 Ca 0.16 0.16 0.13 0.00 2.07 0.00 0.00 57.50 60.02 2pgh n TRP 37 Cb 0.53 -0.55 0.38 0.00 -0.81 0.00 0.00 31.31 30.87 2pgh n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 2pgh n THR 38 N -1.84 0.00 0.29 -1.67 -2.24 -0.86 -3.46 114.28 104.51 2pgh n THR 38 Ca -0.01 -0.01 0.17 0.00 -2.27 0.00 0.00 64.05 61.93 2pgh n THR 38 Cb 0.30 0.03 0.85 0.00 -2.10 0.00 0.00 70.33 69.41 2pgh n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2pgh h GLN 39 N 0.12 0.00 0.00 -0.78 4.20 -1.05 -2.36 115.11 115.23 2pgh h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2pgh h GLN 39 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2pgh h GLN 39 CO 0.00 0.05 0.00 -2.13 -0.67 0.00 0.00 178.83 176.08 2pgh n ARG 40 N -3.27 0.16 0.00 1.46 0.63 -1.22 -1.21 116.66 113.20 2pgh n ARG 40 Ca -0.01 0.56 0.10 0.00 -0.92 0.00 0.00 57.85 57.58 2pgh n ARG 40 Cb 0.22 -1.92 -0.06 0.00 0.45 0.00 0.00 32.46 31.14 2pgh n ARG 40 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2pgh n PHE 41 N -2.25 0.03 -1.93 -0.14 3.72 -0.89 -4.29 117.46 111.71 2pgh n PHE 41 Ca -0.00 0.01 -0.18 0.00 -0.05 0.00 0.00 57.45 57.23 2pgh n PHE 41 Cb 0.11 -0.12 0.06 0.00 -0.94 0.00 0.00 39.48 38.58 2pgh n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2pgh n PHE 42 N -1.62 2.19 0.41 1.38 3.72 -0.35 -4.79 117.46 118.40 2pgh n PHE 42 Ca 0.03 -2.08 0.12 0.00 -0.05 0.00 0.00 57.45 55.48 2pgh n PHE 42 Cb 0.36 -0.33 0.50 0.00 -0.94 0.00 0.00 39.48 39.07 2pgh n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2pgh h GLU 43 N 1.94 0.00 -0.72 -1.08 4.11 -1.71 -2.33 114.58 114.78 2pgh h GLU 43 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 2pgh h GLU 43 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 2pgh h GLU 43 CO 0.61 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.56 2pgh n SER 44 N -2.32 2.63 -0.87 3.06 3.41 -1.26 -3.69 113.62 114.58 2pgh n SER 44 Ca 0.02 -2.30 0.12 0.00 -0.26 0.00 0.00 58.87 56.46 2pgh n SER 44 Cb 0.26 -0.50 0.11 0.00 -0.26 0.00 0.00 64.21 63.82 2pgh n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2pgh n PHE 45 N 0.28 0.00 0.00 7.33 3.01 -0.88 -5.07 117.46 122.12 2pgh n PHE 45 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 2pgh n PHE 45 Cb 0.55 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 2pgh n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pgh n GLY 46 N 1.35 0.82 3.88 1.37 0.00 -1.24 -4.87 105.19 106.50 2pgh n GLY 46 Ca 0.14 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 2pgh n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pgh s ASP 47 N -4.00 6.44 0.00 1.61 2.15 -1.26 -4.97 116.67 116.64 2pgh s ASP 47 Ca 0.00 0.51 0.04 0.00 0.43 0.00 0.00 52.55 53.53 2pgh s ASP 47 Cb 0.00 -2.08 0.07 0.00 -0.30 0.00 0.00 42.92 40.61 2pgh s ASP 47 CO 0.00 0.36 1.00 0.18 -0.17 0.00 0.00 175.17 176.54 2pgh n LEU 48 N 1.72 0.15 0.25 -1.34 4.77 -1.26 -4.51 117.00 116.78 2pgh n LEU 48 Ca -0.17 -1.18 0.14 0.00 -0.03 0.00 0.00 56.01 54.76 2pgh n LEU 48 Cb 0.54 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 42.20 2pgh n LEU 48 CO 0.35 0.36 0.90 0.77 -1.33 0.00 0.00 177.39 178.44 2pgh h SER 49 N 0.17 0.00 -4.37 -1.43 4.64 -1.98 -3.44 113.55 107.14 2pgh h SER 49 Ca -0.05 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.70 2pgh h SER 49 Cb 1.46 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.26 2pgh h SER 49 CO 0.01 0.11 -0.84 0.54 -0.87 0.00 0.00 176.83 175.77 2pgh s ASN 50 N -5.95 2.29 0.22 4.97 4.22 -1.26 -5.05 114.94 114.38 2pgh s ASN 50 Ca 0.01 -0.38 -0.11 0.00 -2.14 0.00 0.00 52.86 50.24 2pgh s ASN 50 Cb 0.10 -0.24 0.30 0.00 1.28 0.00 0.00 41.25 42.69 2pgh s ASN 50 CO 0.59 0.22 1.64 0.00 -2.04 0.00 0.00 177.10 177.51 2pgh h ALA 51 N 5.52 0.56 0.01 3.54 0.00 -1.99 -2.03 119.26 124.87 2pgh h ALA 51 Ca -0.39 0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.78 2pgh h ALA 51 Cb 1.15 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 2pgh h ALA 51 CO 0.47 -0.42 -0.20 -0.44 0.00 0.00 0.00 179.25 178.67 2pgh h ASP 52 N 0.06 -0.57 -0.45 0.00 3.32 -1.96 -0.94 116.42 115.87 2pgh h ASP 52 Ca 0.34 0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.55 2pgh h ASP 52 Cb 0.54 0.24 -0.08 0.00 0.22 0.00 0.00 39.33 40.26 2pgh h ASP 52 CO -0.62 -0.26 -0.02 0.00 -1.72 0.00 0.00 179.24 176.61 2pgh h ALA 53 N 0.57 0.39 -0.03 3.45 0.00 -1.78 -2.42 119.26 119.44 2pgh h ALA 53 Ca 0.06 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2pgh h ALA 53 Cb 0.39 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2pgh h ALA 53 CO -0.18 -0.40 0.02 0.28 0.00 0.00 0.00 179.25 178.97 2pgh h VAL 54 N 0.08 1.01 -0.32 0.00 2.07 -0.98 0.16 116.25 118.28 2pgh h VAL 54 Ca 0.22 -0.03 -0.46 0.00 0.82 0.00 0.00 66.70 67.26 2pgh h VAL 54 Cb 0.33 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2pgh h VAL 54 CO -0.39 0.01 1.39 0.23 0.02 0.00 0.00 177.57 178.83 2pgh n MET 55 N -5.06 2.92 0.00 1.57 2.00 -0.40 -2.67 117.12 115.48 2pgh n MET 55 Ca -0.06 -1.90 0.00 0.00 0.00 0.00 0.00 57.70 55.74 2pgh n MET 55 Cb 0.03 -2.35 0.00 0.00 0.00 0.00 0.00 33.22 30.91 2pgh n MET 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2pgh n GLY 56 N 2.46 0.08 3.75 3.03 0.00 -1.12 -4.88 105.19 108.51 2pgh n GLY 56 Ca 0.57 -0.07 -0.68 0.00 0.00 0.00 0.00 46.02 45.84 2pgh n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pgh n ASN 57 N -1.28 1.26 0.28 1.61 2.85 0.54 -4.79 115.26 115.73 2pgh n ASN 57 Ca 0.00 1.18 0.16 0.00 -0.11 0.00 0.00 54.58 55.82 2pgh n ASN 57 Cb 0.00 -0.89 0.76 0.00 1.24 0.00 0.00 39.78 40.89 2pgh n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2pgh h PRO 58 N 5.10 0.00 -0.13 1.20 0.13 -1.90 -3.11 132.00 133.29 2pgh h PRO 58 Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 2pgh h PRO 58 Cb 1.37 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 2pgh h PRO 58 CO 0.98 0.06 -0.06 0.87 -0.23 0.00 0.00 178.00 179.61 2pgh h LYS 59 N 0.00 0.28 -0.90 0.86 6.56 -1.89 -2.40 116.57 119.07 2pgh h LYS 59 Ca -0.00 -0.12 0.10 0.00 -1.06 0.00 0.00 60.65 59.56 2pgh h LYS 59 Cb 0.42 -0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.00 2pgh h LYS 59 CO 0.01 0.61 0.55 0.28 -2.06 0.00 0.00 179.45 178.84 2pgh h VAL 60 N -0.07 0.95 0.42 0.50 2.07 -1.86 -1.40 116.25 116.85 2pgh h VAL 60 Ca 0.03 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2pgh h VAL 60 Cb 0.53 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2pgh h VAL 60 CO 0.02 0.17 -0.20 0.11 0.02 0.00 0.00 177.57 177.69 2pgh h LYS 61 N 0.92 -0.54 -0.91 1.57 1.57 -1.63 0.51 116.57 118.06 2pgh h LYS 61 Ca 0.43 0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.48 2pgh h LYS 61 Cb 0.36 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 2pgh h LYS 61 CO -0.24 -0.26 0.62 0.00 -0.57 0.00 0.00 179.45 179.00 2pgh h ALA 62 N -0.26 2.46 0.13 3.86 0.00 -0.87 -1.29 119.26 123.28 2pgh h ALA 62 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 2pgh h ALA 62 Cb 0.52 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2pgh h ALA 62 CO 0.09 -0.75 -1.53 1.25 0.00 0.00 0.00 179.25 178.31 2pgh h HIS 63 N 0.24 0.49 -0.35 0.00 -0.00 -1.07 -3.31 115.15 111.16 2pgh h HIS 63 Ca 0.46 -0.36 0.07 0.00 -0.00 0.00 0.00 60.37 60.55 2pgh h HIS 63 Cb 1.42 -0.02 -0.08 0.00 -0.00 0.00 0.00 27.41 28.72 2pgh h HIS 63 CO -0.00 1.60 -0.28 0.78 -0.00 0.00 0.00 177.93 180.03 2pgh h GLY 64 N 0.26 -0.16 -0.14 5.26 0.00 0.97 0.32 103.07 109.58 2pgh h GLY 64 Ca -0.33 0.35 0.28 0.00 0.00 0.00 0.00 47.33 47.63 2pgh h GLY 64 CO 0.08 -0.21 0.70 1.70 0.00 0.00 0.00 176.54 178.81 2pgh h LYS 65 N -0.24 0.29 -0.08 4.80 3.64 -1.41 0.39 116.57 123.97 2pgh h LYS 65 Ca 0.17 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 2pgh h LYS 65 Cb 0.50 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2pgh h LYS 65 CO -0.48 0.19 -0.37 0.87 -2.27 0.00 0.00 179.45 177.40 2pgh h LYS 66 N 0.30 0.39 0.20 1.90 1.79 -0.57 -2.18 116.57 118.39 2pgh h LYS 66 Ca 0.57 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2pgh h LYS 66 Cb 1.64 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 32.33 2pgh h LYS 66 CO -0.22 0.95 -0.38 0.28 -1.08 0.00 0.00 179.45 179.00 2pgh h VAL 67 N -0.08 0.00 0.00 0.50 2.07 0.22 -2.40 116.25 116.55 2pgh h VAL 67 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2pgh h VAL 67 Cb 1.02 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2pgh h VAL 67 CO 0.08 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.60 2pgh h LEU 68 N -0.63 0.00 -0.32 2.57 -0.00 -1.41 -2.20 115.31 113.32 2pgh h LEU 68 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.68 2pgh h LEU 68 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2pgh h LEU 68 CO -0.14 0.00 -0.51 -0.61 -0.00 0.00 0.00 178.44 177.18 2pgh h GLN 69 N 0.00 0.90 0.00 1.13 -0.00 -0.89 -2.00 115.11 114.26 2pgh h GLN 69 Ca 0.00 -0.55 -0.17 0.00 -0.00 0.00 0.00 58.65 57.93 2pgh h GLN 69 Cb 0.17 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.68 2pgh h GLN 69 CO 0.00 1.19 -0.81 0.77 0.00 0.00 0.00 178.83 179.98 2pgh h SER 70 N 0.70 0.00 -0.24 -0.69 0.02 -1.16 0.22 113.55 112.41 2pgh h SER 70 Ca 0.03 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2pgh h SER 70 Cb 1.11 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 2pgh h SER 70 CO 0.12 0.81 0.04 0.15 -1.14 0.00 0.00 176.83 176.81 2pgh h PHE 71 N 0.00 0.07 0.17 3.45 3.57 -1.34 -2.62 116.94 120.25 2pgh h PHE 71 Ca -0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2pgh h PHE 71 Cb 1.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.20 2pgh h PHE 71 CO 0.00 0.02 -0.08 0.66 -2.23 0.00 0.00 178.31 176.67 2pgh h SER 72 N 0.13 -0.20 0.00 0.41 4.64 -1.25 -1.73 113.55 115.56 2pgh h SER 72 Ca 0.11 -0.32 -0.55 0.00 -0.47 0.00 0.00 61.79 60.56 2pgh h SER 72 Cb 0.11 0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2pgh h SER 72 CO -0.15 0.26 3.08 0.47 -0.87 0.00 0.00 176.83 179.62 2pgh n ASP 73 N -4.98 7.55 0.00 4.97 9.92 0.76 0.28 116.55 135.04 2pgh n ASP 73 Ca -0.09 -2.50 0.00 0.00 -0.53 0.00 0.00 54.79 51.67 2pgh n ASP 73 Cb 0.26 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.30 2pgh n ASP 73 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pgh n GLY 74 N 3.47 0.01 3.67 0.44 0.00 -1.00 -4.76 105.19 107.02 2pgh n GLY 74 Ca 0.67 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.39 2pgh n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pgh s LEU 75 N -0.64 2.46 0.00 0.99 1.98 0.14 -2.43 118.68 121.18 2pgh s LEU 75 Ca 0.00 1.90 0.00 0.00 -2.89 0.00 0.00 54.13 53.14 2pgh s LEU 75 Cb 0.00 -4.27 0.00 0.00 0.66 0.00 0.00 46.19 42.58 2pgh s LEU 75 CO 0.00 -3.01 0.00 1.17 -1.89 0.00 0.00 176.35 172.62 2pgh n LYS 76 N -4.15 0.00 -0.74 1.98 4.81 -1.26 -4.59 118.16 114.21 2pgh n LYS 76 Ca 0.09 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.39 2pgh n LYS 76 Cb 0.53 -0.41 0.09 0.00 0.02 0.00 0.00 35.03 35.26 2pgh n LYS 76 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2pgh n HIS 77 N 0.00 1.71 0.00 5.64 8.25 -1.02 -4.73 115.22 125.06 2pgh n HIS 77 Ca 0.00 -1.44 -0.14 0.00 -0.26 0.00 0.00 57.72 55.88 2pgh n HIS 77 Cb 0.00 -0.72 -0.09 0.00 1.12 0.00 0.00 29.99 30.30 2pgh n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2pgh h LEU 78 N 1.33 -1.60 -2.13 2.41 4.07 -1.81 -2.35 115.31 115.23 2pgh h LEU 78 Ca 0.35 0.19 0.02 0.00 0.08 0.00 0.00 57.88 58.51 2pgh h LEU 78 Cb 1.77 0.62 -0.00 0.00 1.08 0.00 0.00 40.66 44.13 2pgh h LEU 78 CO 0.67 -0.46 0.30 -2.24 -1.08 0.00 0.00 178.44 175.63 2pgh h ASP 79 N -0.56 0.00 -1.40 -0.43 3.04 -1.85 -2.59 116.42 112.64 2pgh h ASP 79 Ca 0.03 0.00 -0.50 0.00 -3.24 0.00 0.00 57.03 53.31 2pgh h ASP 79 Cb 0.64 0.00 -0.41 0.00 -1.04 0.00 0.00 39.33 38.52 2pgh h ASP 79 CO -0.39 0.00 -0.91 -3.20 -2.04 0.00 0.00 179.24 172.69 2pgh n ASN 80 N -3.05 3.38 0.09 4.15 5.15 -0.90 -4.81 115.26 119.27 2pgh n ASN 80 Ca -0.01 -3.33 0.09 0.00 -0.60 0.00 0.00 54.58 50.73 2pgh n ASN 80 Cb 0.37 -0.50 0.40 0.00 -0.53 0.00 0.00 39.78 39.52 2pgh n ASN 80 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2pgh n LEU 81 N -0.29 0.40 0.09 1.20 4.77 -0.97 -1.61 117.00 120.58 2pgh n LEU 81 Ca 0.27 0.63 -0.07 0.00 -0.03 0.00 0.00 56.01 56.80 2pgh n LEU 81 Cb 0.70 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2pgh n LEU 81 CO 0.30 -0.57 0.26 0.11 -1.33 0.00 0.00 177.39 176.16 2pgh h LYS 82 N 0.00 0.13 0.00 3.23 6.56 -1.87 -2.84 116.57 121.78 2pgh h LYS 82 Ca 0.00 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 2pgh h LYS 82 Cb 0.21 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 2pgh h LYS 82 CO 0.00 0.92 -0.39 0.41 -2.06 0.00 0.00 179.45 178.33 2pgh n GLY 83 N 0.89 -1.35 0.08 3.86 0.00 -0.63 -3.53 105.19 104.51 2pgh n GLY 83 Ca -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 2pgh n GLY 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pgh n THR 84 N -1.63 1.07 0.06 2.61 -1.04 -1.17 -4.38 114.28 109.79 2pgh n THR 84 Ca 0.05 -0.70 0.07 0.00 -2.04 0.00 0.00 64.05 61.44 2pgh n THR 84 Cb 0.36 -0.58 0.14 0.00 -1.82 0.00 0.00 70.33 68.43 2pgh n THR 84 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2pgh n PHE 85 N -2.77 0.38 0.00 -1.42 3.72 -1.08 -4.82 117.46 111.47 2pgh n PHE 85 Ca -0.14 -0.33 0.00 0.00 -0.05 0.00 0.00 57.45 56.94 2pgh n PHE 85 Cb 0.87 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 2pgh n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pgh n ALA 86 N 0.77 0.00 -0.30 4.37 0.00 -1.23 0.12 120.51 124.24 2pgh n ALA 86 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.64 2pgh n ALA 86 Cb 0.43 0.29 0.29 0.00 0.00 0.00 0.00 19.45 20.46 2pgh n ALA 86 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2pgh h LYS 87 N 0.00 0.87 -0.04 0.00 1.57 -1.92 -0.97 116.57 116.07 2pgh h LYS 87 Ca 0.00 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2pgh h LYS 87 Cb 0.00 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 2pgh h LYS 87 CO 0.00 0.58 0.05 1.25 -0.57 0.00 0.00 179.45 180.75 2pgh h LEU 88 N 0.90 0.00 0.05 2.94 5.85 -1.57 0.30 115.31 123.78 2pgh h LEU 88 Ca 0.43 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.83 2pgh h LEU 88 Cb 0.45 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 2pgh h LEU 88 CO -0.20 0.00 -1.84 -1.54 -0.34 0.00 0.00 178.44 174.53 2pgh n SER 89 N -3.88 1.38 0.03 1.25 3.41 0.12 -3.12 113.62 112.81 2pgh n SER 89 Ca -0.02 0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.81 2pgh n SER 89 Cb 0.14 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 2pgh n SER 89 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2pgh h GLU 90 N 0.03 -0.16 -0.59 4.33 3.07 -0.32 0.24 114.58 121.18 2pgh h GLU 90 Ca -0.35 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 58.62 2pgh h GLU 90 Cb 2.03 0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 29.90 2pgh h GLU 90 CO 0.08 -0.11 0.19 1.25 -1.40 0.00 0.00 179.01 179.03 2pgh h LEU 91 N -0.17 0.16 -0.37 1.33 5.85 -0.59 0.02 115.31 121.53 2pgh h LEU 91 Ca 0.06 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2pgh h LEU 91 Cb 0.25 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2pgh h LEU 91 CO -0.15 0.10 0.06 0.45 -0.34 0.00 0.00 178.44 178.56 2pgh h HIS 92 N 0.36 0.66 0.20 1.25 3.86 -1.22 -0.01 115.15 120.24 2pgh h HIS 92 Ca 0.30 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 2pgh h HIS 92 Cb 0.38 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2pgh h HIS 92 CO -0.19 0.66 -0.10 0.00 0.86 0.00 0.00 177.93 179.17 2pgh h ASP 94 N -0.45 -0.12 0.09 0.00 3.32 -1.14 -2.50 116.42 115.63 2pgh h ASP 94 Ca -0.03 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 2pgh h ASP 94 Cb 0.21 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2pgh h ASP 94 CO 0.05 0.32 -0.04 -0.61 -1.72 0.00 0.00 179.24 177.23 2pgh h GLN 95 N -0.58 -0.12 0.00 3.56 5.75 -1.30 -3.38 115.11 119.04 2pgh h GLN 95 Ca -0.01 0.01 -0.23 0.00 -0.15 0.00 0.00 58.65 58.27 2pgh h GLN 95 Cb 0.47 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 2pgh h GLN 95 CO 0.02 0.41 -1.69 1.28 -2.65 0.00 0.00 178.83 176.21 2pgh n LEU 96 N -4.85 0.68 -2.73 -2.39 4.77 -0.14 -5.01 117.00 107.34 2pgh n LEU 96 Ca -0.08 0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 56.07 2pgh n LEU 96 Cb 0.29 0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.61 2pgh n LEU 96 CO 0.28 0.27 0.12 1.41 -1.33 0.00 0.00 177.39 178.14 2pgh n HIS 97 N -2.88 -1.78 -3.25 -1.77 8.25 0.26 -4.98 115.22 109.06 2pgh n HIS 97 Ca -0.15 0.70 -0.31 0.00 -0.26 0.00 0.00 57.72 57.69 2pgh n HIS 97 Cb 0.94 -4.07 -0.05 0.00 1.12 0.00 0.00 29.99 27.93 2pgh n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2pgh s VAL 98 N -3.24 4.89 -0.14 1.59 1.01 -0.78 -5.01 120.40 118.70 2pgh s VAL 98 Ca 0.18 0.47 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 2pgh s VAL 98 Cb -0.08 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2pgh s VAL 98 CO 0.52 -0.23 0.22 -0.62 0.00 0.00 0.00 175.10 174.99 2pgh s ASP 99 N -2.68 6.40 0.24 3.32 -1.08 -1.26 -4.76 116.67 116.85 2pgh s ASP 99 Ca 0.48 0.46 0.13 0.00 -0.52 0.00 0.00 52.55 53.10 2pgh s ASP 99 Cb -0.11 -2.13 0.70 0.00 -1.46 0.00 0.00 42.92 39.92 2pgh s ASP 99 CO 0.24 0.23 1.33 -2.65 0.52 0.00 0.00 175.17 174.84 2pgh n PRO 100 N 2.96 0.08 -0.19 4.34 -0.02 -1.26 -1.49 135.00 139.42 2pgh n PRO 100 Ca -0.15 0.55 -0.02 0.00 -2.02 0.00 0.00 63.50 61.85 2pgh n PRO 100 Cb 0.53 -1.91 0.18 0.00 -0.02 0.00 0.00 33.50 32.28 2pgh n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2pgh h GLU 101 N 0.00 0.96 0.00 -0.52 4.57 -1.96 -1.91 114.58 115.72 2pgh h GLU 101 Ca 0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2pgh h GLU 101 Cb 0.27 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2pgh h GLU 101 CO 0.00 0.76 0.00 -0.91 -1.18 0.00 0.00 179.01 177.68 2pgh h ASN 102 N 0.95 0.00 1.16 1.04 2.35 -1.68 -1.72 115.58 117.67 2pgh h ASN 102 Ca 0.23 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.82 2pgh h ASN 102 Cb 0.15 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2pgh h ASN 102 CO -0.02 0.00 -0.76 -0.26 -1.65 0.00 0.00 177.43 174.74 2pgh h PHE 103 N 0.00 0.00 0.04 1.19 0.04 -1.51 -2.31 116.94 114.38 2pgh h PHE 103 Ca 0.00 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 2pgh h PHE 103 Cb 0.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 2pgh h PHE 103 CO 0.00 0.76 -1.00 0.00 -0.60 0.00 0.00 178.31 177.47 2pgh h ARG 104 N 0.00 0.25 -0.15 1.51 3.08 -1.38 -2.17 114.38 115.52 2pgh h ARG 104 Ca -0.01 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 2pgh h ARG 104 Cb 1.54 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.69 2pgh h ARG 104 CO 0.10 1.06 0.04 -0.07 -1.07 0.00 0.00 179.97 180.03 2pgh h LEU 105 N 0.12 0.23 -0.33 3.04 3.38 -1.42 -2.35 115.31 117.96 2pgh h LEU 105 Ca -0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 2pgh h LEU 105 Cb 1.66 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2pgh h LEU 105 CO 0.16 0.39 0.06 0.25 0.09 0.00 0.00 178.44 179.39 2pgh h LEU 106 N 0.05 0.53 -1.52 1.67 5.85 -1.43 -0.84 115.31 119.61 2pgh h LEU 106 Ca 0.05 -0.26 0.09 0.00 0.84 0.00 0.00 57.88 58.60 2pgh h LEU 106 Cb 0.26 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2pgh h LEU 106 CO 0.00 0.65 0.44 1.23 -0.34 0.00 0.00 178.44 180.42 2pgh h GLY 107 N 0.38 0.76 1.02 3.75 0.00 -1.39 0.35 103.07 107.94 2pgh h GLY 107 Ca 0.10 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 2pgh h GLY 107 CO 0.01 0.14 -0.25 3.43 0.00 0.00 0.00 176.54 179.87 2pgh h ASN 108 N 0.55 0.83 -0.06 0.19 4.21 -0.85 -2.15 115.58 118.29 2pgh h ASN 108 Ca 0.30 -0.43 -0.00 0.00 1.21 0.00 0.00 56.30 57.38 2pgh h ASN 108 Cb 0.46 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.42 2pgh h ASN 108 CO -0.10 1.09 0.04 0.58 -1.29 0.00 0.00 177.43 177.75 2pgh h VAL 109 N 0.58 1.06 -0.52 2.81 2.07 0.38 -2.50 116.25 120.12 2pgh h VAL 109 Ca 0.07 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.46 2pgh h VAL 109 Cb 0.81 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 2pgh h VAL 109 CO 0.07 0.05 0.31 0.40 0.02 0.00 0.00 177.57 178.41 2pgh h ILE 110 N 0.04 1.05 -0.15 4.57 2.04 -1.02 -1.26 117.51 122.77 2pgh h ILE 110 Ca 0.02 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.72 2pgh h ILE 110 Cb 0.05 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2pgh h ILE 110 CO -0.00 0.11 0.24 0.58 0.00 0.00 0.00 178.15 179.07 2pgh h VAL 111 N 0.61 0.29 0.15 1.67 2.07 -0.97 -0.87 116.25 119.20 2pgh h VAL 111 Ca 0.21 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.37 2pgh h VAL 111 Cb 0.03 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2pgh h VAL 111 CO -0.10 0.00 -1.89 -0.37 0.02 0.00 0.00 177.57 175.23 2pgh h VAL 112 N 0.00 0.76 -0.11 2.57 -1.51 -0.85 -3.25 116.25 113.86 2pgh h VAL 112 Ca 0.07 -2.41 0.04 0.00 -1.23 0.00 0.00 66.70 63.17 2pgh h VAL 112 Cb 0.54 2.62 -0.05 0.00 -2.13 0.00 0.00 31.29 32.27 2pgh h VAL 112 CO -0.00 0.88 -0.23 0.58 -1.23 0.00 0.00 177.57 177.57 2pgh h VAL 113 N 0.08 0.44 -0.85 7.19 2.07 -0.67 0.88 116.25 125.40 2pgh h VAL 113 Ca -0.39 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.34 2pgh h VAL 113 Cb 2.06 0.44 -0.13 0.00 -1.52 0.00 0.00 31.29 32.14 2pgh h VAL 113 CO 0.13 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.90 2pgh h LEU 114 N -0.30 0.06 -0.52 2.57 3.38 -1.42 0.56 115.31 119.64 2pgh h LEU 114 Ca 0.09 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2pgh h LEU 114 Cb 0.44 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2pgh h LEU 114 CO -0.28 -0.10 0.29 0.00 0.09 0.00 0.00 178.44 178.44 2pgh h ALA 115 N 1.73 0.66 -0.11 1.53 0.00 -0.92 0.99 119.26 123.14 2pgh h ALA 115 Ca 0.52 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.37 2pgh h ALA 115 Cb 1.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2pgh h ALA 115 CO -0.60 0.17 0.08 -0.09 0.00 0.00 0.00 179.25 178.82 2pgh h ARG 116 N 0.69 0.01 0.00 0.00 2.43 0.14 -0.85 114.38 116.80 2pgh h ARG 116 Ca 0.18 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2pgh h ARG 116 Cb 0.03 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2pgh h ARG 116 CO -0.03 0.01 0.00 -2.13 -1.51 0.00 0.00 179.97 176.30 2pgh n ARG 117 N -4.51 0.00 0.00 0.20 0.63 0.00 -4.23 116.66 108.75 2pgh n ARG 117 Ca -0.00 0.19 0.05 0.00 -0.92 0.00 0.00 57.85 57.17 2pgh n ARG 117 Cb 0.19 -0.72 0.27 0.00 0.45 0.00 0.00 32.46 32.65 2pgh n ARG 117 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2pgh n LEU 118 N -1.07 0.00 0.00 6.15 4.77 0.13 -4.91 117.00 122.08 2pgh n LEU 118 Ca 0.00 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2pgh n LEU 118 Cb 0.00 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2pgh n LEU 118 CO 0.00 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 2pgh n GLY 119 N -0.35 1.77 0.57 -0.72 0.00 -0.32 -1.70 105.19 104.43 2pgh n GLY 119 Ca 0.05 -0.22 0.38 0.00 0.00 0.00 0.00 46.02 46.23 2pgh n GLY 119 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2pgh n HIS 120 N 14.00 0.00 1.31 1.61 -0.00 -1.26 0.28 115.22 131.15 2pgh n HIS 120 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.86 2pgh n HIS 120 Cb 0.00 -0.36 0.71 0.00 -0.00 0.00 0.00 29.99 30.34 2pgh n HIS 120 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2pgh n ASP 121 N -3.43 0.00 -3.03 0.26 2.03 -0.69 -3.94 116.55 107.76 2pgh n ASP 121 Ca 0.32 -0.06 -0.34 0.00 0.52 0.00 0.00 54.79 55.24 2pgh n ASP 121 Cb 1.62 -0.31 -0.04 0.00 -0.72 0.00 0.00 41.12 41.68 2pgh n ASP 121 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2pgh n PHE 122 N -1.31 2.07 -1.15 -0.67 7.35 0.14 -4.97 117.46 118.93 2pgh n PHE 122 Ca 0.13 -2.45 -0.34 0.00 -0.76 0.00 0.00 57.45 54.03 2pgh n PHE 122 Cb 0.24 -1.71 0.11 0.00 0.35 0.00 0.00 39.48 38.47 2pgh n PHE 122 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2pgh n ASN 123 N 1.60 0.46 -0.34 -2.13 4.13 -1.25 -4.62 115.26 113.11 2pgh n ASN 123 Ca 0.58 0.58 0.09 0.00 1.68 0.00 0.00 54.58 57.51 2pgh n ASN 123 Cb 0.39 -1.44 0.20 0.00 -1.54 0.00 0.00 39.78 37.39 2pgh n ASN 123 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2pgh h PRO 124 N -0.77 0.01 -0.06 3.52 0.11 -1.95 0.14 132.00 132.99 2pgh h PRO 124 Ca -0.46 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2pgh h PRO 124 Cb 1.31 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2pgh h PRO 124 CO 0.45 0.01 0.02 -0.44 -0.21 0.00 0.00 178.00 177.82 2pgh h ASP 125 N 0.01 0.07 -0.11 -2.05 3.32 -1.99 -1.39 116.42 114.29 2pgh h ASP 125 Ca 0.51 -0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.37 2pgh h ASP 125 Cb 0.91 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.45 2pgh h ASP 125 CO -0.95 0.08 -0.68 0.58 -1.72 0.00 0.00 179.24 176.54 2pgh h VAL 126 N 0.09 1.32 -0.23 -1.35 2.07 -1.06 -2.58 116.25 114.51 2pgh h VAL 126 Ca 0.02 -1.95 0.05 0.00 0.82 0.00 0.00 66.70 65.64 2pgh h VAL 126 Cb 0.03 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 2pgh h VAL 126 CO -0.00 0.60 -0.06 -0.61 0.02 0.00 0.00 177.57 177.52 2pgh h GLN 127 N 0.32 0.00 0.00 1.57 4.15 -0.78 -0.70 115.11 119.68 2pgh h GLN 127 Ca -0.05 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 2pgh h GLN 127 Cb 1.33 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.02 2pgh h GLN 127 CO 0.14 0.00 -0.00 0.00 -1.93 0.00 0.00 178.83 177.04 2pgh h ALA 128 N 1.23 1.01 0.19 3.38 0.00 -1.25 0.55 119.26 124.37 2pgh h ALA 128 Ca 0.11 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.67 2pgh h ALA 128 Cb 0.16 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2pgh h ALA 128 CO -0.23 0.00 -1.69 0.00 0.00 0.00 0.00 179.25 177.33 2pgh h ALA 129 N 2.00 0.13 -0.13 0.00 0.00 -0.80 -3.28 119.26 117.18 2pgh h ALA 129 Ca -0.00 -1.10 -0.18 0.00 0.00 0.00 0.00 54.91 53.63 2pgh h ALA 129 Cb 0.09 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2pgh h ALA 129 CO 0.00 1.00 -0.67 0.74 0.00 0.00 0.00 179.25 180.32 2pgh h PHE 130 N 0.11 0.69 -0.90 0.00 0.04 -0.38 -3.12 116.94 113.37 2pgh h PHE 130 Ca -0.32 -0.28 0.15 0.00 2.80 0.00 0.00 57.97 60.32 2pgh h PHE 130 Cb 2.10 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 40.06 2pgh h PHE 130 CO 0.10 1.04 0.58 1.96 -0.60 0.00 0.00 178.31 181.39 2pgh h GLN 131 N 0.37 0.67 0.06 1.51 1.08 -0.01 0.19 115.11 118.97 2pgh h GLN 131 Ca -0.02 -0.04 -0.26 0.00 -1.45 0.00 0.00 58.65 56.88 2pgh h GLN 131 Cb 1.25 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 28.54 2pgh h GLN 131 CO 0.12 0.44 -1.09 -0.22 -0.95 0.00 0.00 178.83 177.13 2pgh h LYS 132 N 0.69 0.47 0.69 1.46 3.64 -1.61 -3.10 116.57 118.80 2pgh h LYS 132 Ca 0.46 -0.58 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 2pgh h LYS 132 Cb 0.76 0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2pgh h LYS 132 CO -0.22 1.22 -0.33 0.28 -2.27 0.00 0.00 179.45 178.13 2pgh h VAL 133 N 0.23 0.00 -0.44 2.00 2.07 -1.15 -0.15 116.25 118.80 2pgh h VAL 133 Ca -0.12 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.42 2pgh h VAL 133 Cb 1.75 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2pgh h VAL 133 CO 0.19 0.00 0.57 -0.37 0.02 0.00 0.00 177.57 177.99 2pgh h VAL 134 N -1.03 0.25 0.14 2.57 -1.51 -1.15 1.22 116.25 116.73 2pgh h VAL 134 Ca -0.09 0.00 -0.30 0.00 -1.23 0.00 0.00 66.70 65.08 2pgh h VAL 134 Cb 0.71 0.53 0.02 0.00 -2.13 0.00 0.00 31.29 30.42 2pgh h VAL 134 CO 0.15 0.00 -1.27 0.00 -1.23 0.00 0.00 177.57 175.23 2pgh h ALA 135 N 1.27 0.02 -0.91 5.19 0.00 -1.41 -0.66 119.26 122.77 2pgh h ALA 135 Ca 0.21 -0.80 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 2pgh h ALA 135 Cb 1.35 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 2pgh h ALA 135 CO -0.00 0.75 0.50 0.78 0.00 0.00 0.00 179.25 181.28 2pgh h GLY 136 N 0.59 1.35 0.37 0.00 0.00 0.33 0.13 103.07 105.84 2pgh h GLY 136 Ca -0.18 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 2pgh h GLY 136 CO 0.23 0.58 -0.11 -2.08 0.00 0.00 0.00 176.54 175.17 2pgh h VAL 137 N 1.27 0.56 -1.36 4.60 2.07 -1.19 -1.08 116.25 121.13 2pgh h VAL 137 Ca 0.32 -0.96 0.41 0.00 0.82 0.00 0.00 66.70 67.29 2pgh h VAL 137 Cb 0.02 0.95 -0.10 0.00 -1.52 0.00 0.00 31.29 30.63 2pgh h VAL 137 CO -0.05 0.15 0.92 0.00 0.02 0.00 0.00 177.57 178.60 2pgh h ALA 138 N -0.58 2.91 0.00 1.67 0.00 -0.93 0.61 119.26 122.93 2pgh h ALA 138 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2pgh h ALA 138 Cb 0.48 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2pgh h ALA 138 CO 0.05 -1.43 -1.67 -1.71 0.00 0.00 0.00 179.25 174.48 2pgh n ASN 139 N -4.46 0.27 0.05 0.00 5.15 0.44 -3.74 115.26 112.97 2pgh n ASN 139 Ca 0.34 0.07 -0.11 0.00 -0.60 0.00 0.00 54.58 54.28 2pgh n ASN 139 Cb 1.40 1.51 -0.08 0.00 -0.53 0.00 0.00 39.78 42.08 2pgh n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pgh h ALA 140 N 2.03 -0.20 -0.06 5.20 0.00 0.14 -3.12 119.26 123.25 2pgh h ALA 140 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2pgh h ALA 140 Cb 0.99 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2pgh h ALA 140 CO 0.00 -0.32 0.16 -0.07 0.00 0.00 0.00 179.25 179.03 2pgh h LEU 141 N -0.80 0.00 -1.04 0.00 3.38 -0.90 0.19 115.31 116.14 2pgh h LEU 141 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pgh h LEU 141 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2pgh h LEU 141 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 2pgh n ALA 142 N -2.11 2.56 -0.55 1.53 0.00 -1.19 -4.65 120.51 116.11 2pgh n ALA 142 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2pgh n ALA 142 Cb 0.25 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2pgh n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2pgh n HIS 143 N 0.25 0.00 -2.00 0.00 -0.00 0.66 -4.15 115.22 109.98 2pgh n HIS 143 Ca 0.18 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.64 2pgh n HIS 143 Cb 0.36 -0.23 -0.06 0.00 -0.00 0.00 0.00 29.99 30.06 2pgh n HIS 143 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2pgh s LYS 144 N -1.91 2.34 0.00 1.57 -0.14 -1.26 -4.78 119.74 115.56 2pgh s LYS 144 Ca 0.00 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 53.73 2pgh s LYS 144 Cb 0.00 -5.17 0.00 0.00 -1.68 0.00 0.00 37.83 30.98 2pgh s LYS 144 CO 0.00 -4.05 0.00 0.66 -0.76 0.00 0.00 175.35 171.20 2pgh n TYR 145 N 15.00 0.00 -0.91 3.18 4.02 -1.26 -4.71 117.16 132.48 2pgh n TYR 145 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.33 2pgh n TYR 145 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 2pgh n TYR 145 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57