#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pd6 h ARG 8 N 0.00 0.37 -0.23 3.52 3.08 -1.95 -3.15 114.38 116.03 2pd6 h ARG 8 Ca 0.00 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 2pd6 h ARG 8 Cb 0.00 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 2pd6 h ARG 8 CO 0.00 0.25 -0.11 1.28 -1.07 0.00 0.00 179.97 180.32 2pd6 n LEU 9 N -4.98 3.63 -0.11 3.04 4.77 -0.52 -4.76 117.00 118.07 2pd6 n LEU 9 Ca 0.30 -3.53 -0.05 0.00 -0.03 0.00 0.00 56.01 52.71 2pd6 n LEU 9 Cb 0.94 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2pd6 n LEU 9 CO 0.12 1.07 0.87 0.03 -1.33 0.00 0.00 177.39 178.16 2pd6 h ARG 10 N 1.05 0.14 -0.49 3.23 2.47 -1.53 -0.46 114.38 118.79 2pd6 h ARG 10 Ca 0.11 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.88 2pd6 h ARG 10 Cb 1.43 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.69 2pd6 h ARG 10 CO 0.24 0.09 0.33 0.66 0.56 0.00 0.00 179.97 181.85 2pd6 h SER 11 N 0.14 0.36 -3.84 7.04 4.64 -1.85 -3.42 113.55 116.62 2pd6 h SER 11 Ca 0.18 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.02 2pd6 h SER 11 Cb 0.24 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2pd6 h SER 11 CO -0.27 0.24 0.18 0.00 -0.87 0.00 0.00 176.83 176.10 2pd6 s ALA 12 N -5.39 3.25 -0.17 5.18 0.00 -0.20 -4.93 121.76 119.51 2pd6 s ALA 12 Ca -0.08 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 2pd6 s ALA 12 Cb 0.19 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 2pd6 s ALA 12 CO 0.74 0.11 -0.03 -1.17 0.00 0.00 0.00 175.76 175.40 2pd6 s LEU 13 N -3.46 3.19 -0.09 0.00 2.96 -1.26 -1.58 118.68 118.44 2pd6 s LEU 13 Ca 0.55 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 2pd6 s LEU 13 Cb -0.10 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 2pd6 s LEU 13 CO 0.23 0.13 -0.19 0.00 -1.32 0.00 0.00 176.35 175.20 2pd6 s ALA 14 N 0.61 2.41 -0.16 5.97 0.00 -0.17 -0.47 121.76 129.95 2pd6 s ALA 14 Ca -0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 2pd6 s ALA 14 Cb -0.14 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 2pd6 s ALA 14 CO 0.02 0.36 -0.04 -1.17 0.00 0.00 0.00 175.76 174.93 2pd6 s LEU 15 N 0.00 3.18 -0.19 0.00 2.96 0.05 -0.63 118.68 124.05 2pd6 s LEU 15 Ca -0.06 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2pd6 s LEU 15 Cb -0.15 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.82 2pd6 s LEU 15 CO 0.05 0.15 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.44 2pd6 s VAL 16 N 0.45 1.53 0.36 1.68 1.01 -0.82 -0.70 120.40 123.91 2pd6 s VAL 16 Ca -0.04 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 2pd6 s VAL 16 Cb -0.14 -1.60 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 2pd6 s VAL 16 CO 0.03 0.20 0.69 0.42 0.00 0.00 0.00 175.10 176.44 2pd6 s THR 17 N 1.45 4.88 -1.45 3.92 -4.23 -0.47 -1.03 115.64 118.71 2pd6 s THR 17 Ca -0.00 0.40 -0.01 0.00 -1.18 0.00 0.00 61.69 60.90 2pd6 s THR 17 Cb -0.16 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.95 2pd6 s THR 17 CO -0.08 -0.45 0.12 0.61 -0.54 0.00 0.00 174.62 174.27 2pd6 n GLY 18 N -1.17 -0.34 0.00 3.99 0.00 -0.45 -2.50 105.19 104.72 2pd6 n GLY 18 Ca 0.01 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.04 2pd6 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pd6 n ALA 19 N -2.17 2.34 0.69 4.61 0.00 -0.21 -3.40 120.51 122.37 2pd6 n ALA 19 Ca -0.18 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.26 2pd6 n ALA 19 Cb 0.64 -1.46 0.46 0.00 0.00 0.00 0.00 19.45 19.09 2pd6 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pd6 n GLY 20 N 1.38 -1.32 3.30 0.00 0.00 -1.26 -3.27 105.19 104.02 2pd6 n GLY 20 Ca 0.09 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2pd6 n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pd6 s SER 21 N -3.38 -0.20 0.77 1.61 0.15 -1.22 -4.71 113.70 106.72 2pd6 s SER 21 Ca 0.10 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2pd6 s SER 21 Cb 0.13 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 2pd6 s SER 21 CO 0.42 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2pd6 n GLY 22 N -0.05 2.98 0.23 9.45 0.00 -1.26 -2.11 105.19 114.43 2pd6 n GLY 22 Ca -0.16 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2pd6 n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2pd6 h ILE 23 N 0.00 1.23 -0.67 -0.61 2.04 -1.90 -2.38 117.51 115.23 2pd6 h ILE 23 Ca 0.00 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 2pd6 h ILE 23 Cb 0.00 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2pd6 h ILE 23 CO 0.00 0.29 0.39 1.23 0.00 0.00 0.00 178.15 180.06 2pd6 h GLY 24 N 0.64 0.97 0.92 5.37 0.00 -1.53 0.13 103.07 109.57 2pd6 h GLY 24 Ca 0.15 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 2pd6 h GLY 24 CO -0.00 0.39 -0.15 -0.09 0.00 0.00 0.00 176.54 176.69 2pd6 h ARG 25 N 0.92 0.64 -0.32 4.80 2.43 -1.19 -2.04 114.38 119.61 2pd6 h ARG 25 Ca 0.24 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 2pd6 h ARG 25 Cb -0.02 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2pd6 h ARG 25 CO -0.04 0.86 -0.15 0.00 -1.51 0.00 0.00 179.97 179.13 2pd6 h ALA 26 N 0.76 1.14 -0.49 2.80 0.00 -0.90 -1.14 119.26 121.43 2pd6 h ALA 26 Ca 0.07 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2pd6 h ALA 26 Cb 0.67 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2pd6 h ALA 26 CO 0.05 0.54 0.07 0.28 0.00 0.00 0.00 179.25 180.19 2pd6 h VAL 27 N 0.52 1.25 -0.09 0.00 2.07 -0.69 -0.37 116.25 118.94 2pd6 h VAL 27 Ca 0.09 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 2pd6 h VAL 27 Cb 0.57 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2pd6 h VAL 27 CO 0.04 0.33 0.06 0.28 0.02 0.00 0.00 177.57 178.30 2pd6 h SER 28 N 0.68 0.11 -0.54 0.57 0.02 -0.86 0.20 113.55 113.74 2pd6 h SER 28 Ca 0.15 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2pd6 h SER 28 Cb 0.41 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 2pd6 h SER 28 CO 0.01 0.12 0.33 0.58 -1.14 0.00 0.00 176.83 176.73 2pd6 h VAL 29 N 0.10 1.07 -0.19 2.27 2.07 -1.20 -1.44 116.25 118.93 2pd6 h VAL 29 Ca 0.03 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2pd6 h VAL 29 Cb 0.02 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2pd6 h VAL 29 CO -0.01 0.12 -0.01 -0.09 0.02 0.00 0.00 177.57 177.60 2pd6 h ARG 30 N 0.66 0.35 -0.67 1.57 9.65 -0.58 -1.08 114.38 124.28 2pd6 h ARG 30 Ca 0.21 -0.12 -0.06 0.00 -1.10 0.00 0.00 59.98 58.92 2pd6 h ARG 30 Cb 0.01 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 2pd6 h ARG 30 CO -0.09 0.56 0.19 -0.07 2.80 0.00 0.00 179.97 183.36 2pd6 h LEU 31 N 0.09 0.97 -1.08 3.80 3.38 -0.53 -2.38 115.31 119.56 2pd6 h LEU 31 Ca 0.05 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2pd6 h LEU 31 Cb 0.42 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2pd6 h LEU 31 CO 0.01 0.92 0.10 0.00 0.09 0.00 0.00 178.44 179.56 2pd6 h ALA 32 N 1.21 1.26 0.00 1.53 0.00 -1.13 -2.24 119.26 119.89 2pd6 h ALA 32 Ca 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2pd6 h ALA 32 Cb 0.31 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pd6 h ALA 32 CO -0.00 0.51 -0.05 0.78 0.00 0.00 0.00 179.25 180.49 2pd6 h GLY 33 N 0.93 0.00 -1.13 0.00 0.00 -0.68 -1.99 103.07 100.21 2pd6 h GLY 33 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2pd6 h GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 2pd6 n GLU 34 N -4.27 1.91 0.00 4.80 -0.58 -0.88 -4.92 120.64 116.69 2pd6 n GLU 34 Ca -0.03 -1.36 0.00 0.00 -0.42 0.00 0.00 57.16 55.36 2pd6 n GLU 34 Cb 0.13 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 2pd6 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pd6 n GLY 35 N 1.22 0.65 3.80 0.62 0.00 -0.75 -1.44 105.19 109.29 2pd6 n GLY 35 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2pd6 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pd6 s ALA 36 N -2.00 3.02 -0.05 4.61 0.00 -0.96 -4.14 121.76 122.23 2pd6 s ALA 36 Ca 0.00 0.55 -0.21 0.00 0.00 0.00 0.00 51.96 52.30 2pd6 s ALA 36 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2pd6 s ALA 36 CO 0.00 -0.08 0.59 0.99 0.00 0.00 0.00 175.76 177.27 2pd6 s THR 37 N -1.94 5.01 -0.19 0.00 2.01 -0.62 -4.31 115.64 115.61 2pd6 s THR 37 Ca 0.61 1.23 -0.02 0.00 0.31 0.00 0.00 61.69 63.82 2pd6 s THR 37 Cb -0.15 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.42 2pd6 s THR 37 CO 0.20 0.35 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 2pd6 s VAL 38 N 0.26 2.99 -0.45 3.82 1.01 -1.26 -1.00 120.40 125.76 2pd6 s VAL 38 Ca 0.32 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 2pd6 s VAL 38 Cb -0.17 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 33.92 2pd6 s VAL 38 CO 0.16 0.48 0.58 0.00 0.00 0.00 0.00 175.10 176.32 2pd6 s ALA 39 N 1.13 3.38 -0.31 5.51 0.00 0.19 -1.52 121.76 130.15 2pd6 s ALA 39 Ca 0.01 -1.44 -0.10 0.00 0.00 0.00 0.00 51.96 50.42 2pd6 s ALA 39 Cb -0.14 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2pd6 s ALA 39 CO -0.03 -1.80 0.17 0.00 0.00 0.00 0.00 175.76 174.10 2pd6 s ALA 40 N 2.58 3.36 -0.04 0.00 0.00 0.14 -1.94 121.76 125.86 2pd6 s ALA 40 Ca 0.18 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 50.88 2pd6 s ALA 40 Cb -0.16 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 2pd6 s ALA 40 CO 0.16 -0.81 -0.18 0.00 0.00 0.00 0.00 175.76 174.93 2pd6 s ASP 42 N -0.73 -0.37 0.38 0.00 -1.08 -0.96 -1.04 116.67 112.86 2pd6 s ASP 42 Ca 0.11 -0.18 0.09 0.00 -0.52 0.00 0.00 52.55 52.05 2pd6 s ASP 42 Cb -0.10 0.52 0.77 0.00 -1.46 0.00 0.00 42.92 42.65 2pd6 s ASP 42 CO 0.00 -0.90 1.92 0.25 0.52 0.00 0.00 175.17 176.96 2pd6 h LEU 43 N 2.23 0.27 -8.25 -1.34 5.85 -1.89 -2.78 115.31 109.40 2pd6 h LEU 43 Ca -0.34 -0.05 -0.71 0.00 0.84 0.00 0.00 57.88 57.62 2pd6 h LEU 43 Cb 1.28 -0.07 -0.20 0.00 0.37 0.00 0.00 40.66 42.03 2pd6 h LEU 43 CO 0.43 0.40 -0.03 -0.62 -0.34 0.00 0.00 178.44 178.28 2pd6 s ASP 44 N -6.85 6.19 0.27 1.25 -1.08 -1.26 -4.67 116.67 110.52 2pd6 s ASP 44 Ca -0.06 -1.30 0.00 0.00 -0.52 0.00 0.00 52.55 50.67 2pd6 s ASP 44 Cb 0.15 -2.26 0.54 0.00 -1.46 0.00 0.00 42.92 39.89 2pd6 s ASP 44 CO 0.74 -0.93 1.81 -0.09 0.52 0.00 0.00 175.17 177.22 2pd6 h ARG 45 N 9.01 0.84 -0.66 4.34 2.43 -1.89 -2.42 114.38 126.03 2pd6 h ARG 45 Ca -0.29 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 58.87 2pd6 h ARG 45 Cb 1.10 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 2pd6 h ARG 45 CO 1.01 0.56 0.40 0.00 -1.51 0.00 0.00 179.97 180.43 2pd6 h ALA 46 N 1.54 0.86 -0.36 2.80 0.00 -1.94 -0.28 119.26 121.88 2pd6 h ALA 46 Ca 0.48 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.24 2pd6 h ALA 46 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2pd6 h ALA 46 CO -0.29 0.14 -0.35 0.00 0.00 0.00 0.00 179.25 178.75 2pd6 h ALA 47 N 1.30 0.71 -0.56 0.00 0.00 -1.78 -1.49 119.26 117.44 2pd6 h ALA 47 Ca 0.27 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2pd6 h ALA 47 Cb 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2pd6 h ALA 47 CO -0.12 0.66 0.28 0.00 0.00 0.00 0.00 179.25 180.07 2pd6 h ALA 48 N 0.92 0.72 -0.64 0.00 0.00 -1.17 -0.89 119.26 118.20 2pd6 h ALA 48 Ca 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2pd6 h ALA 48 Cb 0.90 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2pd6 h ALA 48 CO 0.08 0.26 0.29 1.96 0.00 0.00 0.00 179.25 181.85 2pd6 h GLN 49 N 0.75 0.94 -0.47 0.00 4.20 -0.87 -1.35 115.11 118.31 2pd6 h GLN 49 Ca 0.19 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.77 2pd6 h GLN 49 Cb 0.09 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 2pd6 h GLN 49 CO -0.03 0.76 0.28 1.49 -0.67 0.00 0.00 178.83 180.67 2pd6 h GLU 50 N 0.89 0.54 -0.29 1.46 4.57 -1.10 -1.76 114.58 118.89 2pd6 h GLU 50 Ca 0.22 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2pd6 h GLU 50 Cb 0.15 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2pd6 h GLU 50 CO -0.02 0.36 0.18 1.15 -1.18 0.00 0.00 179.01 179.50 2pd6 h THR 51 N 0.56 1.09 -0.99 0.32 2.02 -0.89 -2.36 112.91 112.66 2pd6 h THR 51 Ca 0.19 -0.21 0.11 0.00 0.77 0.00 0.00 66.41 67.27 2pd6 h THR 51 Cb 0.02 0.70 -0.08 0.00 -1.74 0.00 0.00 68.15 67.05 2pd6 h THR 51 CO -0.09 0.09 0.63 0.58 0.37 0.00 0.00 175.52 177.10 2pd6 h VAL 52 N 0.38 0.95 -0.80 3.16 2.07 -0.92 -0.58 116.25 120.52 2pd6 h VAL 52 Ca 0.11 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.33 2pd6 h VAL 52 Cb -0.01 -0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 29.58 2pd6 h VAL 52 CO -0.02 0.18 0.52 0.03 0.02 0.00 0.00 177.57 178.30 2pd6 h ARG 53 N 1.00 0.90 0.00 1.57 3.08 -0.81 -1.95 114.38 118.17 2pd6 h ARG 53 Ca 0.47 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.47 2pd6 h ARG 53 Cb 0.44 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2pd6 h ARG 53 CO -0.24 0.60 0.00 -0.07 -1.07 0.00 0.00 179.97 179.19 2pd6 h LEU 54 N 0.93 0.00 0.00 3.04 3.38 -0.81 -3.52 115.31 118.33 2pd6 h LEU 54 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2pd6 h LEU 54 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2pd6 h LEU 54 CO -0.11 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.60 2pd6 n LEU 55 N -2.63 0.00 -4.65 1.67 4.77 -0.74 -5.02 117.00 110.40 2pd6 n LEU 55 Ca 0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 2pd6 n LEU 55 Cb 0.28 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 2pd6 n LEU 55 CO 0.24 0.00 0.62 0.21 -1.33 0.00 0.00 177.39 177.13 2pd6 s ASN 68 N -1.00 6.86 0.73 -1.43 3.84 -1.26 -5.05 114.94 117.63 2pd6 s ASN 68 Ca 0.00 1.07 -0.16 0.00 0.21 0.00 0.00 52.86 53.98 2pd6 s ASN 68 Cb 0.00 -2.44 -0.01 0.00 -0.55 0.00 0.00 41.25 38.26 2pd6 s ASN 68 CO 0.00 -0.46 0.79 1.41 -2.79 0.00 0.00 177.10 176.05 2pd6 n HIS 69 N 5.70 0.07 -3.82 0.43 -0.00 -1.26 -4.83 115.22 111.52 2pd6 n HIS 69 Ca 0.05 0.37 -0.12 0.00 -0.00 0.00 0.00 57.72 58.02 2pd6 n HIS 69 Cb 0.48 -2.01 -0.09 0.00 -0.00 0.00 0.00 29.99 28.37 2pd6 n HIS 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2pd6 s ALA 70 N -1.89 -0.54 -0.03 -1.41 0.00 -0.58 -4.98 121.76 112.34 2pd6 s ALA 70 Ca 0.70 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 2pd6 s ALA 70 Cb -0.34 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 2pd6 s ALA 70 CO 0.54 -0.25 0.17 0.00 0.00 0.00 0.00 175.76 176.22 2pd6 s ALA 71 N -1.49 3.92 0.04 0.00 0.00 -1.26 -0.69 121.76 122.28 2pd6 s ALA 71 Ca -0.13 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2pd6 s ALA 71 Cb -0.06 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 2pd6 s ALA 71 CO 0.02 0.72 -0.07 -0.06 0.00 0.00 0.00 175.76 176.38 2pd6 s PHE 72 N -1.27 0.59 -0.07 0.00 0.08 0.07 -4.90 117.98 112.48 2pd6 s PHE 72 Ca 0.25 -0.48 0.03 0.00 0.12 0.00 0.00 56.93 56.85 2pd6 s PHE 72 Cb -0.12 -0.36 -0.02 0.00 -0.57 0.00 0.00 43.02 41.94 2pd6 s PHE 72 CO 0.16 -0.10 -0.15 -1.14 -0.10 0.00 0.00 175.22 173.89 2pd6 s GLN 73 N -1.49 2.69 -0.17 0.44 -0.44 -1.26 -2.28 119.66 117.15 2pd6 s GLN 73 Ca -0.10 -0.71 -0.30 0.00 -2.50 0.00 0.00 55.36 51.74 2pd6 s GLN 73 Cb -0.10 -2.41 0.13 0.00 -1.64 0.00 0.00 33.01 28.99 2pd6 s GLN 73 CO 0.00 0.52 1.01 0.00 0.50 0.00 0.00 175.29 177.32 2pd6 s ALA 74 N -0.46 -1.94 -0.50 1.58 0.00 -1.05 -4.92 121.76 114.47 2pd6 s ALA 74 Ca 0.06 1.61 -0.17 0.00 0.00 0.00 0.00 51.96 53.45 2pd6 s ALA 74 Cb -0.12 -0.76 0.07 0.00 0.00 0.00 0.00 23.12 22.32 2pd6 s ALA 74 CO 0.02 -0.30 0.51 0.34 0.00 0.00 0.00 175.76 176.32 2pd6 s ASP 75 N -1.08 6.18 0.58 0.00 -1.08 -1.26 -3.50 116.67 116.51 2pd6 s ASP 75 Ca -0.01 -1.23 0.36 0.00 -0.52 0.00 0.00 52.55 51.14 2pd6 s ASP 75 Cb -0.01 -2.23 1.73 0.00 -1.46 0.00 0.00 42.92 40.95 2pd6 s ASP 75 CO 0.01 -0.79 2.13 -0.37 0.52 0.00 0.00 175.17 176.68 2pd6 h VAL 76 N 5.82 0.15 0.00 1.11 -1.51 -1.94 -1.90 116.25 117.98 2pd6 h VAL 76 Ca -0.28 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 2pd6 h VAL 76 Cb 1.10 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 2pd6 h VAL 76 CO 0.94 0.03 0.00 -1.54 -1.23 0.00 0.00 177.57 175.77 2pd6 n SER 77 N -3.23 0.23 -4.67 4.19 3.41 -1.26 -4.22 113.62 108.07 2pd6 n SER 77 Ca -0.01 0.56 -0.36 0.00 -0.26 0.00 0.00 58.87 58.79 2pd6 n SER 77 Cb 0.22 -0.61 -0.09 0.00 -0.26 0.00 0.00 64.21 63.47 2pd6 n SER 77 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2pd6 s GLU 78 N -3.11 4.11 0.19 4.33 0.41 -0.72 -4.74 118.70 119.17 2pd6 s GLU 78 Ca 0.06 -0.20 -0.12 0.00 -0.41 0.00 0.00 54.97 54.30 2pd6 s GLU 78 Cb 0.10 -3.52 0.16 0.00 -1.78 0.00 0.00 34.13 29.09 2pd6 s GLU 78 CO 0.32 0.09 1.79 0.00 -0.49 0.00 0.00 175.26 176.97 2pd6 h ALA 79 N 7.35 0.70 0.00 5.21 0.00 -1.87 -2.11 119.26 128.53 2pd6 h ALA 79 Ca -0.38 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2pd6 h ALA 79 Cb 1.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2pd6 h ALA 79 CO 0.68 -0.06 -0.40 0.00 0.00 0.00 0.00 179.25 179.47 2pd6 h ARG 80 N 0.54 0.00 -0.26 0.00 -0.00 -1.95 -3.09 114.38 109.62 2pd6 h ARG 80 Ca 0.24 0.00 -0.17 0.00 -0.50 0.00 0.00 59.98 59.55 2pd6 h ARG 80 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.11 2pd6 h ARG 80 CO -0.16 0.40 -0.51 0.00 0.00 0.00 0.00 179.97 179.69 2pd6 h ALA 81 N 1.60 0.42 -0.47 0.04 0.00 -1.68 -2.28 119.26 116.89 2pd6 h ALA 81 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2pd6 h ALA 81 Cb 0.86 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2pd6 h ALA 81 CO 0.05 0.60 0.29 0.00 0.00 0.00 0.00 179.25 180.20 2pd6 h ALA 82 N 0.65 0.60 -0.51 0.00 0.00 -1.38 -0.02 119.26 118.59 2pd6 h ALA 82 Ca 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2pd6 h ALA 82 Cb 1.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2pd6 h ALA 82 CO 0.11 0.07 0.16 -0.09 0.00 0.00 0.00 179.25 179.51 2pd6 h ARG 83 N 0.63 0.79 -0.55 0.00 2.43 -1.57 -2.84 114.38 113.28 2pd6 h ARG 83 Ca 0.17 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2pd6 h ARG 83 Cb -0.03 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 2pd6 h ARG 83 CO -0.03 0.74 0.06 0.00 -1.51 0.00 0.00 179.97 179.23 2pd6 h LEU 85 N 0.84 -0.45 -0.97 0.00 5.85 -0.91 0.21 115.31 119.87 2pd6 h LEU 85 Ca 0.17 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2pd6 h LEU 85 Cb 0.41 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2pd6 h LEU 85 CO 0.01 -0.22 0.35 -0.07 -0.34 0.00 0.00 178.44 178.17 2pd6 h LEU 86 N -0.28 0.99 -0.52 2.25 -0.00 -1.21 -1.34 115.31 115.20 2pd6 h LEU 86 Ca 0.04 -0.12 -0.05 0.00 -0.00 0.00 0.00 57.88 57.75 2pd6 h LEU 86 Cb 0.33 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.71 2pd6 h LEU 86 CO -0.13 0.85 0.14 -0.33 -0.00 0.00 0.00 178.44 178.97 2pd6 h GLU 87 N 1.08 0.83 -0.95 1.13 3.07 -0.95 -1.99 114.58 116.80 2pd6 h GLU 87 Ca 0.26 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 2pd6 h GLU 87 Cb 0.13 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 27.88 2pd6 h GLU 87 CO -0.03 0.78 0.57 1.96 -1.40 0.00 0.00 179.01 180.89 2pd6 h GLN 88 N 0.73 1.29 -0.23 2.33 4.20 -0.08 -0.76 115.11 122.58 2pd6 h GLN 88 Ca 0.17 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 2pd6 h GLN 88 Cb 0.32 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2pd6 h GLN 88 CO -0.00 0.90 -0.14 0.28 -0.67 0.00 0.00 178.83 179.19 2pd6 h VAL 89 N 1.31 1.31 -0.43 -0.54 2.07 -1.15 -2.02 116.25 116.80 2pd6 h VAL 89 Ca 0.34 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 2pd6 h VAL 89 Cb -0.06 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2pd6 h VAL 89 CO -0.06 0.38 0.20 1.56 0.02 0.00 0.00 177.57 179.67 2pd6 h GLN 90 N 0.21 0.60 -0.07 1.57 4.20 -1.04 -0.28 115.11 120.29 2pd6 h GLN 90 Ca 0.05 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 2pd6 h GLN 90 Cb 0.66 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2pd6 h GLN 90 CO 0.04 0.47 -0.65 0.00 -0.67 0.00 0.00 178.83 178.02 2pd6 h ALA 91 N 1.63 0.76 -0.04 3.87 0.00 -1.06 0.29 119.26 124.70 2pd6 h ALA 91 Ca 0.15 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 2pd6 h ALA 91 Cb 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2pd6 h ALA 91 CO -0.02 0.75 -0.59 0.00 0.00 0.00 0.00 179.25 179.39 2pd6 n PHE 93 N -4.20 0.00 -1.76 0.00 3.72 -0.19 -4.99 117.46 110.03 2pd6 n PHE 93 Ca -0.09 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.14 2pd6 n PHE 93 Cb 0.66 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.14 2pd6 n PHE 93 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2pd6 n SER 94 N -0.58 -5.03 -3.47 4.37 7.64 0.09 -4.96 113.62 111.68 2pd6 n SER 94 Ca 0.04 0.28 -0.13 0.00 1.01 0.00 0.00 58.87 60.07 2pd6 n SER 94 Cb 0.23 -4.06 -0.03 0.00 -1.01 0.00 0.00 64.21 59.35 2pd6 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pd6 s ARG 95 N -3.90 1.12 0.58 1.43 1.70 -1.22 -5.05 118.95 113.61 2pd6 s ARG 95 Ca 0.00 -0.24 -0.14 0.00 -0.47 0.00 0.00 55.73 54.88 2pd6 s ARG 95 Cb 0.00 0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 34.85 2pd6 s ARG 95 CO 0.00 -0.45 1.02 -1.25 -1.08 0.00 0.00 175.30 173.53 2pd6 s PRO 96 N -2.90 3.64 0.22 3.89 0.04 -1.26 -4.14 135.00 134.49 2pd6 s PRO 96 Ca -0.01 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 2pd6 s PRO 96 Cb -0.01 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 2pd6 s PRO 96 CO -0.06 -0.53 1.15 -1.25 0.04 0.00 0.00 177.00 176.34 2pd6 s PRO 97 N -4.54 4.56 0.00 0.56 0.04 -1.26 -4.82 135.00 129.53 2pd6 s PRO 97 Ca 0.58 1.83 0.22 0.00 0.04 0.00 0.00 61.00 63.68 2pd6 s PRO 97 Cb -0.12 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.22 2pd6 s PRO 97 CO 0.42 0.04 1.08 -1.13 0.04 0.00 0.00 177.00 177.46 2pd6 n SER 98 N 1.96 1.14 -4.05 6.66 3.41 0.38 -4.75 113.62 118.36 2pd6 n SER 98 Ca 0.02 -0.97 -0.29 0.00 -0.26 0.00 0.00 58.87 57.37 2pd6 n SER 98 Cb 0.45 0.69 -0.17 0.00 -0.26 0.00 0.00 64.21 64.92 2pd6 n SER 98 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2pd6 s VAL 99 N -2.85 1.52 -0.07 -3.33 1.01 -0.99 -0.51 120.40 115.18 2pd6 s VAL 99 Ca 0.12 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2pd6 s VAL 99 Cb 0.17 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 35.17 2pd6 s VAL 99 CO 0.75 0.45 -0.08 -0.69 0.00 0.00 0.00 175.10 175.53 2pd6 s VAL 100 N 1.05 0.88 -0.21 2.92 1.01 -0.61 -0.77 120.40 124.66 2pd6 s VAL 100 Ca -0.05 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2pd6 s VAL 100 Cb -0.15 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.41 2pd6 s VAL 100 CO -0.03 0.31 -0.15 -0.69 0.00 0.00 0.00 175.10 174.55 2pd6 s VAL 101 N 1.08 2.01 -0.51 2.92 1.01 0.12 -0.31 120.40 126.71 2pd6 s VAL 101 Ca -0.08 -1.20 -0.20 0.00 0.00 0.00 0.00 61.98 60.50 2pd6 s VAL 101 Cb -0.14 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.31 2pd6 s VAL 101 CO -0.01 0.26 0.70 -0.44 0.00 0.00 0.00 175.10 175.61 2pd6 s SER 102 N 1.25 6.25 0.00 3.32 0.01 -0.32 -1.37 113.70 122.84 2pd6 s SER 102 Ca -0.01 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.49 2pd6 s SER 102 Cb -0.16 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 63.76 2pd6 s SER 102 CO -0.09 -0.97 0.85 0.00 0.41 0.00 0.00 173.24 173.45 2pd6 s ALA 104 N -0.70 3.44 -0.23 0.00 0.00 -1.20 -4.55 121.76 118.53 2pd6 s ALA 104 Ca 0.01 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 2pd6 s ALA 104 Cb 0.01 -3.48 0.16 0.00 0.00 0.00 0.00 23.12 19.81 2pd6 s ALA 104 CO 0.01 -0.62 1.20 0.20 0.00 0.00 0.00 175.76 176.55 2pd6 s GLY 105 N 1.32 -0.07 0.16 0.00 0.00 -1.26 -4.68 107.32 102.78 2pd6 s GLY 105 Ca 0.57 2.46 -0.04 0.00 0.00 0.00 0.00 44.72 47.71 2pd6 s GLY 105 CO 0.25 1.06 0.17 -0.26 0.00 0.00 0.00 173.10 174.32 2pd6 s ILE 106 N -1.09 0.07 0.14 0.90 -4.36 -1.26 -5.05 121.20 110.54 2pd6 s ILE 106 Ca 0.04 -1.73 0.09 0.00 -0.26 0.00 0.00 60.65 58.79 2pd6 s ILE 106 Cb -0.01 -2.07 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 2pd6 s ILE 106 CO -0.04 -0.30 -0.21 0.42 0.24 0.00 0.00 174.94 175.05 2pd6 s THR 107 N -4.04 1.87 -0.43 8.37 -4.23 -1.26 -4.94 115.64 110.98 2pd6 s THR 107 Ca 0.24 -1.75 0.05 0.00 -1.18 0.00 0.00 61.69 59.05 2pd6 s THR 107 Cb 0.06 -1.76 0.17 0.00 1.34 0.00 0.00 72.50 72.31 2pd6 s THR 107 CO 0.03 -0.14 0.43 1.67 -0.54 0.00 0.00 174.62 176.07 2pd6 n GLN 108 N 0.71 0.26 -2.51 3.99 -0.06 -1.26 -5.06 117.38 113.45 2pd6 n GLN 108 Ca -0.16 -2.92 -0.41 0.00 -2.00 0.00 0.00 57.00 51.51 2pd6 n GLN 108 Cb 0.55 -1.62 -0.04 0.00 -4.06 0.00 0.00 30.24 25.06 2pd6 n GLN 108 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2pd6 s ASP 109 N 0.24 7.29 -0.18 1.69 1.01 -1.26 -4.87 116.67 120.58 2pd6 s ASP 109 Ca 0.32 2.17 -0.29 0.00 0.71 0.00 0.00 52.55 55.46 2pd6 s ASP 109 Cb 0.03 -2.62 0.13 0.00 1.01 0.00 0.00 42.92 41.47 2pd6 s ASP 109 CO -0.17 -0.16 1.01 -0.70 0.21 0.00 0.00 175.17 175.37 2pd6 s GLU 110 N -0.93 0.56 0.53 8.23 2.56 -0.24 -5.03 118.70 124.39 2pd6 s GLU 110 Ca 0.47 0.22 -0.22 0.00 0.00 0.00 0.00 54.97 55.43 2pd6 s GLU 110 Cb -0.30 0.27 -0.05 0.00 2.00 0.00 0.00 34.13 36.04 2pd6 s GLU 110 CO 0.38 -0.16 1.32 -0.06 -0.56 0.00 0.00 175.26 176.18 2pd6 s PHE 111 N -0.88 2.40 0.21 5.30 0.08 -1.26 -4.27 117.98 119.56 2pd6 s PHE 111 Ca -0.01 1.40 -0.12 0.00 0.12 0.00 0.00 56.93 58.33 2pd6 s PHE 111 Cb -0.01 -3.72 0.28 0.00 -0.57 0.00 0.00 43.02 38.99 2pd6 s PHE 111 CO 0.00 -2.64 1.65 1.25 -0.10 0.00 0.00 175.22 175.38 2pd6 h LEU 112 N 1.58 -0.40 -2.82 -0.37 5.85 -1.97 -0.74 115.31 116.44 2pd6 h LEU 112 Ca -0.51 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2pd6 h LEU 112 Cb 1.29 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 2pd6 h LEU 112 CO 0.58 -0.16 0.02 -0.07 -0.34 0.00 0.00 178.44 178.47 2pd6 h LEU 113 N 0.06 0.00 -0.90 2.25 3.38 -2.04 -2.78 115.31 115.28 2pd6 h LEU 113 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2pd6 h LEU 113 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2pd6 h LEU 113 CO -0.58 0.00 -0.04 1.41 0.09 0.00 0.00 178.44 179.32 2pd6 n HIS 114 N -3.26 0.00 -2.12 1.13 8.25 -0.39 -5.05 115.22 113.78 2pd6 n HIS 114 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 2pd6 n HIS 114 Cb 0.09 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 2pd6 n HIS 114 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2pd6 s MET 115 N -0.61 4.24 0.61 -0.41 0.00 -0.57 -4.93 119.30 117.64 2pd6 s MET 115 Ca 0.04 2.09 -0.14 0.00 0.00 0.00 0.00 55.69 57.68 2pd6 s MET 115 Cb 0.04 -3.63 -0.03 0.00 0.00 0.00 0.00 34.83 31.20 2pd6 s MET 115 CO 0.08 -0.66 1.04 -1.54 0.00 0.00 0.00 175.02 173.95 2pd6 s SER 116 N 2.20 5.89 0.27 1.11 1.04 -1.26 -4.90 113.70 118.05 2pd6 s SER 116 Ca 0.67 1.65 -0.02 0.00 0.48 0.00 0.00 55.95 58.73 2pd6 s SER 116 Cb -0.34 -2.51 0.42 0.00 0.10 0.00 0.00 66.02 63.69 2pd6 s SER 116 CO 0.28 -1.09 1.89 -0.08 0.98 0.00 0.00 173.24 175.22 2pd6 h GLU 117 N 0.06 1.14 -0.08 4.02 4.81 -1.99 -1.66 114.58 120.87 2pd6 h GLU 117 Ca -0.45 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 58.59 2pd6 h GLU 117 Cb 1.21 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 2pd6 h GLU 117 CO 0.59 0.75 -0.48 0.22 -0.73 0.00 0.00 179.01 179.36 2pd6 h ASP 118 N 1.17 0.23 -0.09 1.04 3.58 -1.98 0.15 116.42 120.52 2pd6 h ASP 118 Ca 0.42 -0.11 -0.14 0.00 0.42 0.00 0.00 57.03 57.62 2pd6 h ASP 118 Cb 0.14 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2pd6 h ASP 118 CO -0.16 0.68 -0.43 0.44 -2.88 0.00 0.00 179.24 176.89 2pd6 h ASP 119 N 0.17 0.68 0.64 2.28 3.32 -1.83 0.77 116.42 122.44 2pd6 h ASP 119 Ca 0.01 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 2pd6 h ASP 119 Cb 0.92 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.28 2pd6 h ASP 119 CO 0.07 1.01 -0.31 -0.25 -1.72 0.00 0.00 179.24 178.05 2pd6 h TRP 120 N 0.51 -0.79 -0.50 4.55 2.91 -1.13 -3.24 115.95 118.26 2pd6 h TRP 120 Ca 0.04 -0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.10 2pd6 h TRP 120 Cb 0.95 0.26 -0.05 0.00 -0.51 0.00 0.00 29.16 29.81 2pd6 h TRP 120 CO 0.04 -0.45 0.20 -0.44 -1.03 0.00 0.00 178.44 176.77 2pd6 h ASP 121 N -1.04 0.24 -0.47 2.65 3.32 -0.58 -2.48 116.42 118.06 2pd6 h ASP 121 Ca -0.09 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 2pd6 h ASP 121 Cb 0.70 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 2pd6 h ASP 121 CO 0.14 0.17 0.19 0.50 -1.72 0.00 0.00 179.24 178.52 2pd6 h LYS 122 N 0.40 0.71 -0.53 3.56 1.63 -0.98 -0.51 116.57 120.85 2pd6 h LYS 122 Ca 0.23 -0.13 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 2pd6 h LYS 122 Cb 0.22 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2pd6 h LYS 122 CO -0.21 0.63 0.09 0.28 -3.45 0.00 0.00 179.45 176.79 2pd6 h VAL 123 N 0.62 1.25 -0.60 2.00 2.07 -1.54 -1.71 116.25 118.34 2pd6 h VAL 123 Ca 0.16 -0.94 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 2pd6 h VAL 123 Cb 0.19 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2pd6 h VAL 123 CO -0.01 0.34 -0.01 0.40 0.02 0.00 0.00 177.57 178.31 2pd6 h ILE 124 N 0.77 1.27 -0.21 4.57 1.08 -1.32 -1.25 117.51 122.41 2pd6 h ILE 124 Ca 0.16 -1.17 -0.01 0.00 -0.39 0.00 0.00 64.86 63.46 2pd6 h ILE 124 Cb 0.40 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 2pd6 h ILE 124 CO 0.01 0.42 0.09 0.00 -0.69 0.00 0.00 178.15 177.98 2pd6 h ALA 125 N 0.98 0.28 0.03 1.87 0.00 -0.85 -1.39 119.26 120.17 2pd6 h ALA 125 Ca 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2pd6 h ALA 125 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2pd6 h ALA 125 CO 0.03 -0.14 -0.01 0.28 0.00 0.00 0.00 179.25 179.41 2pd6 h VAL 126 N 0.20 1.44 0.06 0.00 2.07 -1.32 -0.52 116.25 118.17 2pd6 h VAL 126 Ca 0.07 -1.66 -0.19 0.00 0.82 0.00 0.00 66.70 65.74 2pd6 h VAL 126 Cb 0.16 2.52 0.02 0.00 -1.52 0.00 0.00 31.29 32.47 2pd6 h VAL 126 CO -0.01 0.41 -0.79 0.78 0.02 0.00 0.00 177.57 177.99 2pd6 h ASN 127 N -0.78 0.59 0.00 0.57 2.35 -1.31 -3.12 115.58 113.87 2pd6 h ASN 127 Ca -0.00 -0.82 -0.03 0.00 -0.55 0.00 0.00 56.30 54.90 2pd6 h ASN 127 Cb 0.70 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 2pd6 h ASN 127 CO 0.01 1.35 -0.98 -0.11 -1.65 0.00 0.00 177.43 176.04 2pd6 n LEU 128 N -4.11 1.91 -0.19 1.61 7.94 -0.67 -3.64 117.00 119.86 2pd6 n LEU 128 Ca -0.12 0.39 -0.05 0.00 -1.11 0.00 0.00 56.01 55.13 2pd6 n LEU 128 Cb 0.77 -0.77 0.05 0.00 0.53 0.00 0.00 43.42 44.00 2pd6 n LEU 128 CO 0.50 -0.26 1.07 0.50 -1.11 0.00 0.00 177.39 178.08 2pd6 h LYS 129 N -1.00 0.62 -0.57 1.96 3.64 -1.31 -0.75 116.57 119.17 2pd6 h LYS 129 Ca -0.04 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2pd6 h LYS 129 Cb 0.94 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 2pd6 h LYS 129 CO -0.02 0.41 0.26 0.78 -2.27 0.00 0.00 179.45 178.61 2pd6 h GLY 130 N 0.64 0.80 1.33 5.01 0.00 -1.02 0.20 103.07 110.03 2pd6 h GLY 130 Ca 0.22 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 2pd6 h GLY 130 CO -0.11 0.06 -0.09 -0.84 0.00 0.00 0.00 176.54 175.57 2pd6 h THR 131 N 0.48 1.26 0.13 4.70 2.02 -1.55 -1.67 112.91 118.28 2pd6 h THR 131 Ca 0.27 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 2pd6 h THR 131 Cb 0.24 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2pd6 h THR 131 CO -0.22 0.40 -0.07 0.15 0.37 0.00 0.00 175.52 176.14 2pd6 h PHE 132 N 0.73 -0.18 -0.12 3.16 3.57 -0.57 -1.30 116.94 122.23 2pd6 h PHE 132 Ca 0.13 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 2pd6 h PHE 132 Cb 0.57 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2pd6 h PHE 132 CO 0.03 -0.11 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.68 2pd6 h LEU 133 N -0.19 0.20 0.07 0.59 3.38 -0.72 -0.49 115.31 118.16 2pd6 h LEU 133 Ca -0.02 -0.06 -0.25 0.00 0.09 0.00 0.00 57.88 57.65 2pd6 h LEU 133 Cb 0.15 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 40.87 2pd6 h LEU 133 CO 0.02 0.45 -1.00 0.58 0.09 0.00 0.00 178.44 178.58 2pd6 h VAL 134 N 0.19 1.34 -0.63 1.22 2.07 -1.28 -2.17 116.25 116.98 2pd6 h VAL 134 Ca 0.03 -2.34 0.05 0.00 0.82 0.00 0.00 66.70 65.26 2pd6 h VAL 134 Cb 0.54 2.68 -0.05 0.00 -1.52 0.00 0.00 31.29 32.95 2pd6 h VAL 134 CO 0.04 0.70 0.35 0.74 0.02 0.00 0.00 177.57 179.42 2pd6 h THR 135 N 0.12 0.98 0.02 2.57 2.02 -0.99 -1.35 112.91 116.29 2pd6 h THR 135 Ca -0.15 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2pd6 h THR 135 Cb 1.70 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2pd6 h THR 135 CO 0.19 0.12 -0.01 -0.61 0.37 0.00 0.00 175.52 175.59 2pd6 h GLN 136 N 0.66 -0.03 -0.62 6.66 4.15 -1.11 -0.99 115.11 123.85 2pd6 h GLN 136 Ca 0.28 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.66 2pd6 h GLN 136 Cb 0.15 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 2pd6 h GLN 136 CO -0.17 0.25 0.22 0.00 -1.93 0.00 0.00 178.83 177.20 2pd6 h ALA 137 N 0.68 0.80 -0.03 3.38 0.00 -1.29 -0.70 119.26 122.11 2pd6 h ALA 137 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2pd6 h ALA 137 Cb 0.28 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2pd6 h ALA 137 CO 0.00 0.44 0.02 0.00 0.00 0.00 0.00 179.25 179.72 2pd6 h ALA 138 N 1.08 0.04 -0.92 0.00 0.00 -1.18 -1.69 119.26 116.59 2pd6 h ALA 138 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2pd6 h ALA 138 Cb 0.24 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2pd6 h ALA 138 CO -0.01 -0.45 0.56 0.00 0.00 0.00 0.00 179.25 179.35 2pd6 h ALA 139 N 0.97 1.17 -0.38 0.00 0.00 -0.88 -1.70 119.26 118.44 2pd6 h ALA 139 Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pd6 h ALA 139 Cb 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2pd6 h ALA 139 CO -0.00 0.62 0.23 1.96 0.00 0.00 0.00 179.25 182.06 2pd6 h GLN 140 N 1.26 0.52 -0.54 0.00 4.20 -0.95 0.14 115.11 119.74 2pd6 h GLN 140 Ca 0.33 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 2pd6 h GLN 140 Cb -0.06 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 2pd6 h GLN 140 CO -0.06 0.39 0.29 0.00 -0.67 0.00 0.00 178.83 178.78 2pd6 h ALA 141 N 1.10 0.69 0.17 3.87 0.00 -0.99 -1.91 119.26 122.20 2pd6 h ALA 141 Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pd6 h ALA 141 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2pd6 h ALA 141 CO -0.03 0.22 -0.08 -0.07 0.00 0.00 0.00 179.25 179.29 2pd6 h LEU 142 N 0.72 -0.20 -1.07 0.00 3.38 -1.10 -2.72 115.31 114.32 2pd6 h LEU 142 Ca 0.19 -0.28 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2pd6 h LEU 142 Cb 0.06 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 2pd6 h LEU 142 CO -0.03 0.21 0.62 0.58 0.09 0.00 0.00 178.44 179.91 2pd6 h VAL 143 N -0.64 1.04 0.00 1.22 2.07 -0.99 -1.35 116.25 117.60 2pd6 h VAL 143 Ca -0.02 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 2pd6 h VAL 143 Cb 0.47 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2pd6 h VAL 143 CO 0.04 0.20 -0.47 0.77 0.02 0.00 0.00 177.57 178.12 2pd6 h SER 144 N 1.07 0.00 -0.37 0.57 4.64 -1.35 -2.42 113.55 115.70 2pd6 h SER 144 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2pd6 h SER 144 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2pd6 h SER 144 CO -0.18 0.47 0.00 0.59 -0.87 0.00 0.00 176.83 176.84 2pd6 n ASN 145 N -3.95 2.76 -2.98 4.97 3.02 -0.89 -4.96 115.26 113.22 2pd6 n ASN 145 Ca -0.02 -1.91 -0.22 0.00 -0.03 0.00 0.00 54.58 52.40 2pd6 n ASN 145 Cb 0.49 -0.24 0.03 0.00 -0.61 0.00 0.00 39.78 39.46 2pd6 n ASN 145 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pd6 n GLY 146 N 1.35 -0.52 3.60 7.41 0.00 -0.61 -4.99 105.19 111.43 2pd6 n GLY 146 Ca 0.18 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 2pd6 n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pd6 s ARG 148 N -1.50 3.49 0.18 0.00 0.52 -1.26 -4.48 118.95 115.90 2pd6 s ARG 148 Ca 0.18 0.36 -0.23 0.00 -0.52 0.00 0.00 55.73 55.52 2pd6 s ARG 148 Cb -0.11 -2.26 0.07 0.00 0.52 0.00 0.00 34.95 33.17 2pd6 s ARG 148 CO 0.08 -0.38 1.02 0.20 0.02 0.00 0.00 175.30 176.24 2pd6 s GLY 149 N -4.15 0.03 -0.05 -3.53 0.00 -0.97 -4.77 107.32 93.88 2pd6 s GLY 149 Ca 0.51 -0.22 -0.02 0.00 0.00 0.00 0.00 44.72 44.99 2pd6 s GLY 149 CO 0.48 1.77 0.04 -0.45 0.00 0.00 0.00 173.10 174.94 2pd6 s SER 150 N -3.29 1.25 -0.16 1.64 0.15 0.33 -1.63 113.70 111.99 2pd6 s SER 150 Ca 0.19 0.03 -0.03 0.00 0.70 0.00 0.00 55.95 56.84 2pd6 s SER 150 Cb -0.02 -0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 2pd6 s SER 150 CO 0.05 -0.23 -0.05 -0.63 1.20 0.00 0.00 173.24 173.57 2pd6 s ILE 151 N 2.09 3.70 -0.13 6.45 1.01 0.25 -1.58 121.20 132.99 2pd6 s ILE 151 Ca 0.05 -0.42 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 2pd6 s ILE 151 Cb -0.12 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.76 2pd6 s ILE 151 CO -0.04 0.49 -0.08 -0.63 0.00 0.00 0.00 174.94 174.68 2pd6 s ILE 152 N 0.48 1.15 -0.16 2.92 1.01 0.57 -1.97 121.20 125.21 2pd6 s ILE 152 Ca -0.04 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 2pd6 s ILE 152 Cb -0.15 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 2pd6 s ILE 152 CO 0.03 0.33 -0.04 0.20 0.00 0.00 0.00 174.94 175.46 2pd6 s ASN 153 N 1.65 4.80 -0.37 3.58 0.01 -0.62 -1.17 114.94 122.82 2pd6 s ASN 153 Ca 0.04 -0.13 -0.22 0.00 -0.71 0.00 0.00 52.86 51.84 2pd6 s ASN 153 Cb -0.13 -1.79 0.01 0.00 0.41 0.00 0.00 41.25 39.75 2pd6 s ASN 153 CO -0.09 0.17 0.73 -0.63 -1.51 0.00 0.00 177.10 175.77 2pd6 s ILE 154 N 0.38 4.78 0.00 0.60 -1.09 -0.56 -1.46 121.20 123.85 2pd6 s ILE 154 Ca -0.04 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 2pd6 s ILE 154 Cb -0.14 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 2pd6 s ILE 154 CO 0.03 -0.42 0.00 -0.24 -1.23 0.00 0.00 174.94 173.08 2pd6 n SER 155 N 6.31 0.00 -3.61 3.58 2.88 0.62 -4.91 113.62 118.48 2pd6 n SER 155 Ca 0.01 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.49 2pd6 n SER 155 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 2pd6 n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2pd6 s SER 156 N -1.00 -0.21 0.58 -3.46 0.15 -1.26 -4.56 113.70 103.95 2pd6 s SER 156 Ca 0.00 0.21 0.30 0.00 0.70 0.00 0.00 55.95 57.16 2pd6 s SER 156 Cb 0.00 0.17 1.76 0.00 -1.71 0.00 0.00 66.02 66.24 2pd6 s SER 156 CO 0.00 -0.20 2.22 -0.29 1.20 0.00 0.00 173.24 176.16 2pd6 h ILE 157 N 2.29 0.51 0.00 6.45 6.09 -1.63 0.39 117.51 131.61 2pd6 h ILE 157 Ca -0.13 -0.14 -0.02 0.00 -1.37 0.00 0.00 64.86 63.20 2pd6 h ILE 157 Cb 1.17 1.09 -0.00 0.00 0.47 0.00 0.00 36.82 39.55 2pd6 h ILE 157 CO 0.27 0.03 -0.08 0.58 -3.07 0.00 0.00 178.15 175.88 2pd6 h VAL 158 N 0.00 0.66 0.00 2.19 2.07 -1.85 -1.14 116.25 118.18 2pd6 h VAL 158 Ca -0.00 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2pd6 h VAL 158 Cb 0.09 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2pd6 h VAL 158 CO 0.00 0.08 -0.02 1.23 0.02 0.00 0.00 177.57 178.88 2pd6 h GLY 159 N 0.45 0.00 0.29 2.17 0.00 -1.14 0.12 103.07 104.95 2pd6 h GLY 159 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 2pd6 h GLY 159 CO 0.01 0.00 -2.21 1.17 0.00 0.00 0.00 176.54 175.51 2pd6 n LYS 160 N -3.18 0.68 0.00 4.80 4.81 -0.46 -3.89 118.16 120.92 2pd6 n LYS 160 Ca -0.01 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2pd6 n LYS 160 Cb 0.20 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.65 2pd6 n LYS 160 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2pd6 n VAL 161 N -3.00 0.00 -0.02 3.15 0.24 -1.01 -5.14 118.33 112.55 2pd6 n VAL 161 Ca -0.32 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 2pd6 n VAL 161 Cb 1.09 0.87 -0.00 0.00 -1.47 0.00 0.00 33.84 34.33 2pd6 n VAL 161 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pd6 n GLY 162 N 1.22 -1.99 3.63 7.63 0.00 0.41 -5.05 105.19 111.04 2pd6 n GLY 162 Ca 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 2pd6 n GLY 162 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pd6 s ASN 163 N -4.97 -0.73 0.27 1.61 2.47 -1.26 -4.75 114.94 107.59 2pd6 s ASN 163 Ca 0.00 1.33 -0.30 0.00 0.42 0.00 0.00 52.86 54.31 2pd6 s ASN 163 Cb 0.00 1.34 -0.11 0.00 -1.45 0.00 0.00 41.25 41.03 2pd6 s ASN 163 CO 0.00 -0.22 1.59 -0.69 -3.72 0.00 0.00 177.10 174.06 2pd6 s VAL 164 N 0.65 2.15 0.00 -5.21 1.01 -1.26 -1.29 120.40 116.45 2pd6 s VAL 164 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2pd6 s VAL 164 Cb -0.05 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2pd6 s VAL 164 CO -0.05 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2pd6 n GLY 165 N 2.43 1.02 1.97 4.51 0.00 -1.26 -4.92 105.19 108.94 2pd6 n GLY 165 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 2pd6 n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pd6 n GLN 166 N -2.00 1.73 -0.31 1.61 6.02 -0.41 -1.08 117.38 122.94 2pd6 n GLN 166 Ca 0.00 -3.27 0.16 0.00 -0.01 0.00 0.00 57.00 53.88 2pd6 n GLN 166 Cb 0.00 -1.38 0.33 0.00 1.02 0.00 0.00 30.24 30.21 2pd6 n GLN 166 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2pd6 h THR 167 N 4.41 0.21 -0.12 5.09 2.02 -1.82 0.22 112.91 122.92 2pd6 h THR 167 Ca -0.02 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 2pd6 h THR 167 Cb 1.44 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2pd6 h THR 167 CO 0.27 0.03 -0.13 -0.55 0.37 0.00 0.00 175.52 175.51 2pd6 h ASN 168 N 0.14 0.31 -0.03 4.18 -1.07 -1.91 -1.18 115.58 116.02 2pd6 h ASN 168 Ca 0.61 -0.50 -0.00 0.00 0.07 0.00 0.00 56.30 56.48 2pd6 h ASN 168 Cb 1.29 -0.09 -0.00 0.00 -2.07 0.00 0.00 38.32 37.45 2pd6 h ASN 168 CO -0.73 0.75 0.01 0.22 0.07 0.00 0.00 177.43 177.75 2pd6 h TYR 169 N -0.11 0.05 -0.60 4.14 3.20 -1.80 -1.76 116.97 120.08 2pd6 h TYR 169 Ca 0.02 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.97 2pd6 h TYR 169 Cb 0.66 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.85 2pd6 h TYR 169 CO 0.09 0.20 0.23 0.00 -1.64 0.00 0.00 178.16 177.04 2pd6 h ALA 170 N 0.84 0.78 -0.39 1.82 0.00 -0.62 -0.46 119.26 121.22 2pd6 h ALA 170 Ca 0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2pd6 h ALA 170 Cb 0.18 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2pd6 h ALA 170 CO -0.00 -0.19 0.25 0.00 0.00 0.00 0.00 179.25 179.32 2pd6 h ALA 171 N 1.41 0.49 -0.73 0.00 0.00 -1.13 -0.83 119.26 118.48 2pd6 h ALA 171 Ca 0.30 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2pd6 h ALA 171 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2pd6 h ALA 171 CO -0.30 -0.06 0.27 0.66 0.00 0.00 0.00 179.25 179.81 2pd6 h SER 172 N 0.51 1.04 0.69 0.00 4.64 -0.73 -1.45 113.55 118.25 2pd6 h SER 172 Ca 0.15 -0.19 -0.26 0.00 -0.47 0.00 0.00 61.79 61.01 2pd6 h SER 172 Cb -0.05 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 2pd6 h SER 172 CO -0.04 0.95 -1.25 0.11 -0.87 0.00 0.00 176.83 175.72 2pd6 h LYS 173 N 1.07 0.18 -0.32 4.77 1.79 -0.92 -1.71 116.57 121.43 2pd6 h LYS 173 Ca 0.24 -0.31 0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2pd6 h LYS 173 Cb 0.25 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 2pd6 h LYS 173 CO -0.01 1.11 0.18 0.00 -1.08 0.00 0.00 179.45 179.64 2pd6 h ALA 174 N 0.70 0.40 -0.95 3.86 0.00 -1.12 -2.76 119.26 119.38 2pd6 h ALA 174 Ca -0.13 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.92 2pd6 h ALA 174 Cb 1.93 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.55 2pd6 h ALA 174 CO 0.17 -0.18 0.60 0.78 0.00 0.00 0.00 179.25 180.62 2pd6 h GLY 175 N 0.37 1.46 1.24 0.00 0.00 -1.08 -1.46 103.07 103.61 2pd6 h GLY 175 Ca 0.13 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 2pd6 h GLY 175 CO -0.07 0.09 0.13 -2.08 0.00 0.00 0.00 176.54 174.62 2pd6 h VAL 176 N 0.82 1.24 -0.23 4.60 2.07 -1.08 -0.61 116.25 123.06 2pd6 h VAL 176 Ca 0.49 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2pd6 h VAL 176 Cb 0.67 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2pd6 h VAL 176 CO -0.25 0.34 -0.01 0.40 0.02 0.00 0.00 177.57 178.06 2pd6 h ILE 177 N 0.90 1.26 -0.67 4.57 2.04 -1.01 -0.63 117.51 123.97 2pd6 h ILE 177 Ca 0.19 -0.93 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 2pd6 h ILE 177 Cb 0.35 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 2pd6 h ILE 177 CO 0.00 0.29 0.19 1.23 0.00 0.00 0.00 178.15 179.86 2pd6 h GLY 178 N 0.17 1.13 0.75 5.37 0.00 -1.24 -1.27 103.07 107.98 2pd6 h GLY 178 Ca 0.06 -0.69 0.03 0.00 0.00 0.00 0.00 47.33 46.74 2pd6 h GLY 178 CO 0.01 0.64 0.08 -2.00 0.00 0.00 0.00 176.54 175.27 2pd6 h LEU 179 N 0.98 0.07 -0.61 3.11 6.46 -1.06 -2.12 115.31 122.14 2pd6 h LEU 179 Ca 0.21 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.93 2pd6 h LEU 179 Cb 0.33 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 2pd6 h LEU 179 CO -0.00 0.07 0.07 0.74 -0.62 0.00 0.00 178.44 178.70 2pd6 h THR 180 N 0.19 1.26 -0.38 1.05 2.02 -0.84 -0.22 112.91 116.00 2pd6 h THR 180 Ca 0.12 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.24 2pd6 h THR 180 Cb 0.10 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2pd6 h THR 180 CO -0.14 0.39 0.24 1.56 0.37 0.00 0.00 175.52 177.94 2pd6 h GLN 181 N 0.94 0.50 -0.15 6.66 4.20 -1.14 -0.81 115.11 125.31 2pd6 h GLN 181 Ca 0.18 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 2pd6 h GLN 181 Cb 0.47 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 2pd6 h GLN 181 CO 0.02 0.36 -0.03 1.15 -0.67 0.00 0.00 178.83 179.65 2pd6 h THR 182 N 0.50 1.29 -0.64 -0.54 2.02 -1.15 -2.69 112.91 111.68 2pd6 h THR 182 Ca 0.14 -0.97 0.11 0.00 0.77 0.00 0.00 66.41 66.45 2pd6 h THR 182 Cb -0.03 1.63 -0.08 0.00 -1.74 0.00 0.00 68.15 67.93 2pd6 h THR 182 CO -0.03 0.29 0.21 0.00 0.37 0.00 0.00 175.52 176.36 2pd6 h ALA 183 N 0.71 0.83 -0.63 6.16 0.00 -1.03 -0.77 119.26 124.53 2pd6 h ALA 183 Ca 0.04 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.15 2pd6 h ALA 183 Cb 0.45 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2pd6 h ALA 183 CO 0.01 -0.23 0.26 0.00 0.00 0.00 0.00 179.25 179.29 2pd6 h ALA 184 N 1.47 0.83 -0.21 0.00 0.00 -1.03 -1.15 119.26 119.17 2pd6 h ALA 184 Ca 0.34 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 2pd6 h ALA 184 Cb 0.47 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2pd6 h ALA 184 CO -0.36 -0.16 -0.37 -0.09 0.00 0.00 0.00 179.25 178.27 2pd6 h ARG 185 N 0.45 0.46 0.00 0.00 2.43 -0.85 -1.57 114.38 115.31 2pd6 h ARG 185 Ca 0.32 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2pd6 h ARG 185 Cb 0.38 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2pd6 h ARG 185 CO -0.30 0.77 -0.30 0.93 -1.51 0.00 0.00 179.97 179.56 2pd6 h GLU 186 N 0.39 0.00 0.00 0.20 5.08 -0.82 -3.37 114.58 116.06 2pd6 h GLU 186 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2pd6 h GLU 186 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2pd6 h GLU 186 CO 0.07 0.30 -1.17 1.28 -1.00 0.00 0.00 179.01 178.49 2pd6 n LEU 187 N -3.19 0.38 -0.31 1.33 4.77 -0.48 -4.47 117.00 115.03 2pd6 n LEU 187 Ca 0.03 -0.27 0.11 0.00 -0.03 0.00 0.00 56.01 55.84 2pd6 n LEU 187 Cb 0.63 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 42.00 2pd6 n LEU 187 CO 0.37 0.09 1.11 1.23 -1.33 0.00 0.00 177.39 178.87 2pd6 h GLY 188 N 3.19 1.54 2.00 -0.72 0.00 -1.30 0.25 103.07 108.03 2pd6 h GLY 188 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2pd6 h GLY 188 CO 0.00 -0.12 0.00 0.07 0.00 0.00 0.00 176.54 176.49 2pd6 h ARG 189 N 0.58 0.00 -0.42 4.80 0.11 -1.84 0.13 114.38 117.75 2pd6 h ARG 189 Ca 0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.61 2pd6 h ARG 189 Cb 0.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 2pd6 h ARG 189 CO -0.42 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.37 2pd6 n HIS 190 N -2.97 0.54 -2.09 4.08 8.25 0.05 -4.95 115.22 118.14 2pd6 n HIS 190 Ca -0.01 -0.27 -0.09 0.00 -0.26 0.00 0.00 57.72 57.08 2pd6 n HIS 190 Cb 0.15 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.25 2pd6 n HIS 190 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pd6 n GLY 191 N 1.43 0.10 3.23 -1.41 0.00 0.03 -4.64 105.19 103.93 2pd6 n GLY 191 Ca 0.19 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 2pd6 n GLY 191 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pd6 s ILE 192 N -2.44 2.48 0.15 -0.61 1.01 -1.04 -2.29 121.20 118.46 2pd6 s ILE 192 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 2pd6 s ILE 192 Cb 0.00 -2.03 -0.06 0.00 0.01 0.00 0.00 42.46 40.37 2pd6 s ILE 192 CO 0.00 0.52 0.45 -0.13 0.00 0.00 0.00 174.94 175.78 2pd6 s ARG 193 N 0.85 3.74 -0.03 2.79 0.52 -0.65 -3.37 118.95 122.80 2pd6 s ARG 193 Ca -0.05 0.13 -0.01 0.00 -0.52 0.00 0.00 55.73 55.28 2pd6 s ARG 193 Cb -0.15 -2.83 0.03 0.00 0.52 0.00 0.00 34.95 32.52 2pd6 s ARG 193 CO -0.01 0.44 0.06 0.00 0.02 0.00 0.00 175.30 175.81 2pd6 s ASN 195 N 1.17 0.11 0.05 0.00 0.01 -0.83 0.64 114.94 116.09 2pd6 s ASN 195 Ca -0.08 -0.52 0.05 0.00 -0.71 0.00 0.00 52.86 51.60 2pd6 s ASN 195 Cb -0.13 0.29 -0.04 0.00 0.41 0.00 0.00 41.25 41.78 2pd6 s ASN 195 CO -0.04 -0.60 -0.08 -0.44 -1.51 0.00 0.00 177.10 174.44 2pd6 s SER 196 N -2.37 4.56 -0.13 -1.22 0.01 0.19 -1.59 113.70 113.13 2pd6 s SER 196 Ca -0.01 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2pd6 s SER 196 Cb 0.01 -0.99 -0.01 0.00 0.21 0.00 0.00 66.02 65.24 2pd6 s SER 196 CO -0.06 0.23 -0.14 -0.69 0.41 0.00 0.00 173.24 172.99 2pd6 s VAL 197 N -1.11 2.93 -0.69 3.43 1.01 -0.54 -1.18 120.40 124.26 2pd6 s VAL 197 Ca 0.20 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2pd6 s VAL 197 Cb -0.11 -2.23 0.18 0.00 0.00 0.00 0.00 36.38 34.22 2pd6 s VAL 197 CO 0.11 0.52 0.53 -0.76 0.00 0.00 0.00 175.10 175.50 2pd6 s LEU 198 N 0.45 5.43 0.60 3.92 1.02 0.95 -0.28 118.68 130.77 2pd6 s LEU 198 Ca -0.10 -2.99 -0.18 0.00 0.02 0.00 0.00 54.13 50.88 2pd6 s LEU 198 Cb -0.16 -1.90 -0.03 0.00 0.02 0.00 0.00 46.19 44.13 2pd6 s LEU 198 CO 0.05 -0.36 1.16 -2.84 0.02 0.00 0.00 176.35 174.38 2pd6 s PRO 199 N -0.26 2.98 0.00 1.29 0.02 -1.26 -0.99 135.00 136.78 2pd6 s PRO 199 Ca 0.19 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.85 2pd6 s PRO 199 Cb -0.17 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.40 2pd6 s PRO 199 CO -0.05 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 175.88 2pd6 n GLY 200 N 0.14 0.73 3.42 0.52 0.00 -0.49 -2.20 105.19 107.29 2pd6 n GLY 200 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 2pd6 n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pd6 s PHE 201 N 1.07 3.22 -0.17 1.61 2.99 -1.26 -4.87 117.98 120.56 2pd6 s PHE 201 Ca 0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 56.93 56.18 2pd6 s PHE 201 Cb 0.00 -3.03 0.01 0.00 0.00 0.00 0.00 43.02 39.99 2pd6 s PHE 201 CO 0.00 -0.76 -0.15 0.42 -0.00 0.00 0.00 175.22 174.73 2pd6 s ILE 202 N 1.80 2.54 -0.23 0.64 -1.09 -1.26 -1.56 121.20 122.04 2pd6 s ILE 202 Ca 0.06 -0.79 -0.29 0.00 -2.23 0.00 0.00 60.65 57.40 2pd6 s ILE 202 Cb -0.22 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 2pd6 s ILE 202 CO 0.09 0.51 1.93 0.00 -1.23 0.00 0.00 174.94 176.24 2pd6 s ALA 203 N 1.11 2.97 0.31 9.38 0.00 -0.91 -4.59 121.76 130.02 2pd6 s ALA 203 Ca 0.00 0.59 -0.08 0.00 0.00 0.00 0.00 51.96 52.47 2pd6 s ALA 203 Cb -0.14 -3.99 0.01 0.00 0.00 0.00 0.00 23.12 19.00 2pd6 s ALA 203 CO -0.05 -2.45 0.51 0.95 0.00 0.00 0.00 175.76 174.72 2pd6 s THR 204 N 6.83 0.00 0.40 0.00 -4.23 -1.26 -4.41 115.64 112.96 2pd6 s THR 204 Ca 0.87 -1.45 0.38 0.00 -1.18 0.00 0.00 61.69 60.31 2pd6 s THR 204 Cb -0.29 -2.50 0.41 0.00 1.34 0.00 0.00 72.50 71.46 2pd6 s THR 204 CO 0.34 0.00 2.18 -0.65 -0.54 0.00 0.00 174.62 175.95 2pd6 h PRO 205 N 2.16 0.00 0.16 3.99 0.11 -1.98 0.23 132.00 136.68 2pd6 h PRO 205 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 2pd6 h PRO 205 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2pd6 h PRO 205 CO 0.38 0.01 -0.11 1.98 -0.21 0.00 0.00 178.00 180.05 2pd6 h MET 206 N 0.00 -0.26 -0.01 1.05 4.05 -1.96 -3.27 114.93 114.53 2pd6 h MET 206 Ca -0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2pd6 h MET 206 Cb 0.26 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 2pd6 h MET 206 CO 0.00 -0.17 -0.19 0.25 0.23 0.00 0.00 176.91 177.03 2pd6 n THR 207 N -5.22 0.00 0.30 -0.77 -2.24 -0.79 -4.30 114.28 101.25 2pd6 n THR 207 Ca -0.08 -0.21 0.19 0.00 -2.27 0.00 0.00 64.05 61.67 2pd6 n THR 207 Cb 0.14 0.62 0.93 0.00 -2.10 0.00 0.00 70.33 69.92 2pd6 n THR 207 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2pd6 h GLN 208 N 1.97 0.00 0.00 -0.78 4.20 -0.62 -1.80 115.11 118.08 2pd6 h GLN 208 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2pd6 h GLN 208 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2pd6 h GLN 208 CO 0.00 0.03 -0.20 0.36 -0.67 0.00 0.00 178.83 178.35 2pd6 n LYS 209 N -3.24 0.27 -2.08 1.46 0.00 -1.26 -4.86 118.16 108.45 2pd6 n LYS 209 Ca -0.02 0.17 -0.42 0.00 -0.00 0.00 0.00 58.31 58.04 2pd6 n LYS 209 Cb 0.18 -1.76 -0.03 0.00 -0.00 0.00 0.00 35.03 33.42 2pd6 n LYS 209 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2pd6 s VAL 210 N -3.12 3.19 0.70 0.58 1.01 -0.68 -4.97 120.40 117.11 2pd6 s VAL 210 Ca 0.09 0.78 -0.14 0.00 0.00 0.00 0.00 61.98 62.70 2pd6 s VAL 210 Cb 0.13 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 33.03 2pd6 s VAL 210 CO 0.64 0.04 1.13 -2.16 0.00 0.00 0.00 175.10 174.74 2pd6 s PRO 211 N 1.68 2.52 0.30 2.72 0.04 -1.26 -4.83 135.00 136.18 2pd6 s PRO 211 Ca 0.67 1.47 0.15 0.00 0.04 0.00 0.00 61.00 63.34 2pd6 s PRO 211 Cb -0.38 -1.91 0.34 0.00 0.04 0.00 0.00 34.50 32.60 2pd6 s PRO 211 CO 0.30 -1.49 1.57 -0.56 0.04 0.00 0.00 177.00 176.87 2pd6 h GLN 212 N -0.23 0.00 0.00 4.56 -0.00 -1.96 -1.71 115.11 115.77 2pd6 h GLN 212 Ca -0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.15 2pd6 h GLN 212 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.73 2pd6 h GLN 212 CO 0.52 0.52 -0.18 1.57 -0.00 0.00 0.00 178.83 181.26 2pd6 h LYS 213 N 0.00 0.00 0.01 0.06 -0.00 -1.99 0.61 116.57 115.27 2pd6 h LYS 213 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 60.65 60.42 2pd6 h LYS 213 Cb 1.18 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.38 2pd6 h LYS 213 CO 0.07 0.18 -1.23 -0.24 -0.00 0.00 0.00 179.45 178.23 2pd6 h VAL 214 N 0.00 0.96 -0.79 0.07 3.04 -1.92 -3.26 116.25 114.34 2pd6 h VAL 214 Ca -0.00 -2.21 0.22 0.00 -1.01 0.00 0.00 66.70 63.70 2pd6 h VAL 214 Cb 0.40 2.34 -0.03 0.00 -2.01 0.00 0.00 31.29 31.98 2pd6 h VAL 214 CO 0.02 0.39 0.56 -0.37 -1.01 0.00 0.00 177.57 177.17 2pd6 h VAL 215 N -0.89 0.62 -0.04 1.51 -1.51 -1.19 0.83 116.25 115.57 2pd6 h VAL 215 Ca -0.33 -0.01 -0.02 0.00 -1.23 0.00 0.00 66.70 65.11 2pd6 h VAL 215 Cb 1.36 0.57 -0.00 0.00 -2.13 0.00 0.00 31.29 31.09 2pd6 h VAL 215 CO -0.16 0.01 -0.05 -2.24 -1.23 0.00 0.00 177.57 173.90 2pd6 h ASP 216 N 0.04 0.12 -0.29 4.19 3.04 0.07 -3.14 116.42 120.46 2pd6 h ASP 216 Ca 0.38 -0.50 -0.05 0.00 -3.24 0.00 0.00 57.03 53.62 2pd6 h ASP 216 Cb 1.45 -0.03 -0.02 0.00 -1.04 0.00 0.00 39.33 39.68 2pd6 h ASP 216 CO -0.02 0.59 0.04 0.07 -2.04 0.00 0.00 179.24 177.88 2pd6 h LYS 217 N -0.35 0.59 -0.71 4.15 5.09 -0.98 -2.01 116.57 122.34 2pd6 h LYS 217 Ca 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 60.65 60.62 2pd6 h LYS 217 Cb 0.56 -0.09 -0.03 0.00 0.10 0.00 0.00 32.23 32.77 2pd6 h LYS 217 CO 0.01 0.58 0.42 0.82 -2.09 0.00 0.00 179.45 179.20 2pd6 h ILE 218 N 0.56 1.21 -0.33 0.07 1.08 -1.07 -2.95 117.51 116.09 2pd6 h ILE 218 Ca 0.12 -0.46 0.07 0.00 -0.39 0.00 0.00 64.86 64.20 2pd6 h ILE 218 Cb 0.31 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 2pd6 h ILE 218 CO 0.01 0.21 0.23 0.74 -0.69 0.00 0.00 178.15 178.65 2pd6 h THR 219 N 0.97 0.91 0.00 -0.27 2.02 -1.31 0.11 112.91 115.34 2pd6 h THR 219 Ca 0.25 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.36 2pd6 h THR 219 Cb -0.02 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2pd6 h THR 219 CO -0.05 0.03 -0.13 -0.33 0.37 0.00 0.00 175.52 175.41 2pd6 h GLU 220 N 0.15 0.00 -0.29 6.66 3.07 -1.49 -2.60 114.58 120.08 2pd6 h GLU 220 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2pd6 h GLU 220 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 2pd6 h GLU 220 CO -0.02 0.13 0.00 0.00 -1.40 0.00 0.00 179.01 177.72 2pd6 n MET 221 N -3.38 1.83 -3.71 2.33 -0.00 0.36 -4.77 117.12 109.79 2pd6 n MET 221 Ca -0.01 -1.28 -0.39 0.00 -0.00 0.00 0.00 57.70 56.03 2pd6 n MET 221 Cb 0.32 -1.34 -0.12 0.00 -0.00 0.00 0.00 33.22 32.08 2pd6 n MET 221 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2pd6 s ILE 222 N -1.62 4.04 0.33 3.17 1.01 -0.98 -1.43 121.20 125.72 2pd6 s ILE 222 Ca 0.29 -1.02 0.10 0.00 0.00 0.00 0.00 60.65 60.02 2pd6 s ILE 222 Cb 0.15 -3.26 0.32 0.00 0.01 0.00 0.00 42.46 39.68 2pd6 s ILE 222 CO 0.21 -0.18 1.75 -0.65 0.00 0.00 0.00 174.94 176.08 2pd6 h PRO 223 N 8.29 0.59 0.00 2.79 0.11 -1.78 1.00 132.00 143.00 2pd6 h PRO 223 Ca -0.24 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2pd6 h PRO 223 Cb 1.09 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2pd6 h PRO 223 CO 0.62 0.39 0.00 -1.33 -0.21 0.00 0.00 178.00 177.47 2pd6 n MET 224 N -4.80 0.19 -0.91 1.05 2.81 -0.99 -4.92 117.12 109.56 2pd6 n MET 224 Ca 0.25 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.51 2pd6 n MET 224 Cb 0.71 -1.83 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 2pd6 n MET 224 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pd6 n GLY 225 N 0.28 0.50 3.43 3.03 0.00 0.34 -5.02 105.19 107.76 2pd6 n GLY 225 Ca 0.03 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 2pd6 n GLY 225 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2pd6 s HIS 226 N -2.00 -0.52 0.73 1.61 -3.43 -1.26 -4.97 115.29 105.45 2pd6 s HIS 226 Ca 0.00 0.31 -0.11 0.00 -0.80 0.00 0.00 55.06 54.47 2pd6 s HIS 226 Cb 0.00 0.56 0.03 0.00 -1.43 0.00 0.00 32.58 31.74 2pd6 s HIS 226 CO 0.00 -0.83 1.07 -0.51 -2.00 0.00 0.00 174.74 172.47 2pd6 s LEU 227 N -2.73 3.05 0.61 5.38 1.43 -1.26 -4.96 118.68 120.19 2pd6 s LEU 227 Ca 0.01 1.68 -0.06 0.00 -1.03 0.00 0.00 54.13 54.74 2pd6 s LEU 227 Cb -0.01 -4.47 0.02 0.00 0.03 0.00 0.00 46.19 41.76 2pd6 s LEU 227 CO -0.12 -1.71 0.91 -0.83 0.23 0.00 0.00 176.35 174.83 2pd6 s GLY 228 N -3.64 1.63 0.08 -3.19 0.00 -0.60 -4.92 107.32 96.66 2pd6 s GLY 228 Ca 0.59 -0.76 0.06 0.00 0.00 0.00 0.00 44.72 44.61 2pd6 s GLY 228 CO 0.55 -0.46 -0.09 -0.35 0.00 0.00 0.00 173.10 172.75 2pd6 s ASP 229 N -4.34 4.45 0.44 1.64 -1.08 -1.26 -2.15 116.67 114.37 2pd6 s ASP 229 Ca 0.55 -0.32 0.21 0.00 -0.52 0.00 0.00 52.55 52.48 2pd6 s ASP 229 Cb -0.11 -0.90 1.19 0.00 -1.46 0.00 0.00 42.92 41.64 2pd6 s ASP 229 CO 0.45 0.21 1.83 -0.65 0.52 0.00 0.00 175.17 177.53 2pd6 h PRO 230 N 3.87 0.30 -0.29 4.34 0.11 -1.92 0.12 132.00 138.54 2pd6 h PRO 230 Ca -0.49 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.66 2pd6 h PRO 230 Cb 1.17 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2pd6 h PRO 230 CO 0.53 0.20 0.20 0.93 -0.21 0.00 0.00 178.00 179.64 2pd6 h GLU 231 N 0.31 0.14 -0.48 1.05 3.07 -1.93 0.17 114.58 116.90 2pd6 h GLU 231 Ca 0.50 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 59.24 2pd6 h GLU 231 Cb 1.43 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.30 2pd6 h GLU 231 CO -0.17 0.09 -0.17 -0.44 -1.40 0.00 0.00 179.01 176.92 2pd6 h ASP 232 N 0.14 0.95 -0.09 1.42 3.32 -1.16 -0.99 116.42 120.00 2pd6 h ASP 232 Ca 0.13 -0.33 -0.21 0.00 0.02 0.00 0.00 57.03 56.64 2pd6 h ASP 232 Cb 0.34 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.64 2pd6 h ASP 232 CO -0.02 1.09 -0.75 0.58 -1.72 0.00 0.00 179.24 178.42 2pd6 h VAL 233 N 0.82 1.31 -0.71 -1.35 2.07 -1.27 -3.24 116.25 113.89 2pd6 h VAL 233 Ca 0.12 -2.00 0.09 0.00 0.82 0.00 0.00 66.70 65.73 2pd6 h VAL 233 Cb 0.72 2.18 -0.07 0.00 -1.52 0.00 0.00 31.29 32.59 2pd6 h VAL 233 CO 0.05 0.62 0.35 0.00 0.02 0.00 0.00 177.57 178.62 2pd6 h ALA 234 N 0.48 0.98 -0.95 1.67 0.00 -0.52 -1.87 119.26 119.04 2pd6 h ALA 234 Ca -0.07 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2pd6 h ALA 234 Cb 1.40 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 2pd6 h ALA 234 CO 0.15 -0.05 0.60 -0.44 0.00 0.00 0.00 179.25 179.52 2pd6 h ASP 235 N 0.60 0.94 -0.31 0.00 3.32 -1.22 -0.61 116.42 119.14 2pd6 h ASP 235 Ca 0.35 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.26 2pd6 h ASP 235 Cb 0.36 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2pd6 h ASP 235 CO -0.27 0.58 -0.41 0.58 -1.72 0.00 0.00 179.24 178.00 2pd6 h VAL 236 N 1.06 1.28 -0.72 -1.35 2.07 -1.43 -2.72 116.25 114.43 2pd6 h VAL 236 Ca 0.43 -1.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 2pd6 h VAL 236 Cb 0.24 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2pd6 h VAL 236 CO -0.19 0.53 0.33 0.58 0.02 0.00 0.00 177.57 178.83 2pd6 h VAL 237 N 0.70 1.24 -0.76 2.57 2.07 -0.91 -1.34 116.25 119.83 2pd6 h VAL 237 Ca 0.05 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 2pd6 h VAL 237 Cb 1.00 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2pd6 h VAL 237 CO 0.10 0.29 0.30 0.00 0.02 0.00 0.00 177.57 178.27 2pd6 h ALA 238 N 1.16 0.99 -0.39 1.67 0.00 -1.01 0.09 119.26 121.76 2pd6 h ALA 238 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pd6 h ALA 238 Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2pd6 h ALA 238 CO -0.03 0.62 0.26 0.35 0.00 0.00 0.00 179.25 180.45 2pd6 h PHE 239 N 1.10 0.49 0.00 0.00 3.57 -1.16 -1.81 116.94 119.12 2pd6 h PHE 239 Ca 0.25 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 2pd6 h PHE 239 Cb 0.23 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2pd6 h PHE 239 CO 0.02 0.31 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.05 2pd6 h LEU 240 N 0.52 0.00 -0.61 0.59 3.38 -0.75 -2.76 115.31 115.68 2pd6 h LEU 240 Ca 0.14 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 2pd6 h LEU 240 Cb -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2pd6 h LEU 240 CO -0.03 0.29 -0.67 0.00 0.09 0.00 0.00 178.44 178.12 2pd6 h ALA 241 N 1.71 0.83 -2.30 1.53 0.00 -0.71 -3.46 119.26 116.86 2pd6 h ALA 241 Ca -0.00 -0.60 -0.48 0.00 0.00 0.00 0.00 54.91 53.83 2pd6 h ALA 241 Cb 0.74 -0.09 0.06 0.00 0.00 0.00 0.00 17.79 18.50 2pd6 h ALA 241 CO 0.04 0.80 0.20 -1.54 0.00 0.00 0.00 179.25 178.75 2pd6 s SER 242 N -6.87 5.60 0.00 0.00 1.04 -0.71 -4.87 113.70 107.89 2pd6 s SER 242 Ca -0.02 0.77 0.14 0.00 0.48 0.00 0.00 55.95 57.32 2pd6 s SER 242 Cb 0.12 -1.76 0.69 0.00 0.10 0.00 0.00 66.02 65.17 2pd6 s SER 242 CO 0.79 -1.08 1.40 -0.62 0.98 0.00 0.00 173.24 174.71 2pd6 n GLU 243 N -2.62 0.15 0.31 4.02 -0.58 -1.26 -2.42 120.64 118.24 2pd6 n GLU 243 Ca 0.05 0.18 0.20 0.00 -0.42 0.00 0.00 57.16 57.16 2pd6 n GLU 243 Cb 0.57 -1.50 0.97 0.00 -0.57 0.00 0.00 31.44 30.91 2pd6 n GLU 243 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2pd6 h ASP 244 N 0.00 0.00 -0.54 1.62 3.32 -1.94 -2.37 116.42 116.51 2pd6 h ASP 244 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 2pd6 h ASP 244 Cb 0.16 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.59 2pd6 h ASP 244 CO 0.00 0.01 0.15 -1.54 -1.72 0.00 0.00 179.24 176.14 2pd6 n SER 245 N -3.13 3.62 0.15 6.45 3.41 -1.01 -4.80 113.62 118.31 2pd6 n SER 245 Ca -0.01 -3.43 0.11 0.00 -0.26 0.00 0.00 58.87 55.27 2pd6 n SER 245 Cb 0.18 -0.68 0.54 0.00 -0.26 0.00 0.00 64.21 63.99 2pd6 n SER 245 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pd6 n GLY 246 N -0.74 -1.01 0.68 5.00 0.00 -0.90 -0.76 105.19 107.47 2pd6 n GLY 246 Ca 0.37 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.61 2pd6 n GLY 246 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pd6 n TYR 247 N -2.23 0.65 -3.76 1.61 9.36 -1.26 -4.90 117.16 116.63 2pd6 n TYR 247 Ca -0.00 -0.75 -0.37 0.00 3.32 0.00 0.00 57.90 60.09 2pd6 n TYR 247 Cb 0.11 -0.20 -0.13 0.00 -0.63 0.00 0.00 39.34 38.50 2pd6 n TYR 247 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2pd6 s ILE 248 N -2.16 3.88 0.01 2.97 1.01 0.06 -5.08 121.20 121.89 2pd6 s ILE 248 Ca 0.33 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 2pd6 s ILE 248 Cb 0.25 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.65 2pd6 s ILE 248 CO 0.10 -0.01 0.20 0.28 0.00 0.00 0.00 174.94 175.51 2pd6 s THR 249 N 1.46 0.09 -0.37 2.92 -1.32 -1.26 -4.77 115.64 112.39 2pd6 s THR 249 Ca 0.01 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.77 2pd6 s THR 249 Cb -0.18 -0.68 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 2pd6 s THR 249 CO 0.02 -0.40 0.00 0.61 -2.21 0.00 0.00 174.62 172.65 2pd6 n GLY 250 N 1.08 0.65 3.68 6.08 0.00 0.21 -4.96 105.19 111.93 2pd6 n GLY 250 Ca -0.21 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 2pd6 n GLY 250 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pd6 s THR 251 N -2.09 0.94 -0.04 2.61 -1.32 -1.26 -4.66 115.64 109.82 2pd6 s THR 251 Ca 0.00 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.52 2pd6 s THR 251 Cb 0.00 -2.21 -0.00 0.00 -1.51 0.00 0.00 72.50 68.78 2pd6 s THR 251 CO 0.00 0.00 -0.15 -0.94 -2.21 0.00 0.00 174.62 171.32 2pd6 s SER 252 N -3.79 1.96 -0.19 8.08 1.04 -1.26 -0.64 113.70 118.91 2pd6 s SER 252 Ca 0.11 -0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.19 2pd6 s SER 252 Cb 0.02 -0.53 -0.02 0.00 0.10 0.00 0.00 66.02 65.59 2pd6 s SER 252 CO 0.07 0.14 -0.04 -0.69 0.98 0.00 0.00 173.24 173.70 2pd6 s VAL 253 N 0.06 3.66 -0.08 5.02 1.01 -0.33 -4.96 120.40 124.78 2pd6 s VAL 253 Ca -0.03 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 2pd6 s VAL 253 Cb -0.11 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2pd6 s VAL 253 CO 0.02 0.45 0.54 -1.61 0.00 0.00 0.00 175.10 174.51 2pd6 s GLU 254 N 0.89 4.34 -0.61 2.72 2.02 -1.26 -0.03 118.70 126.76 2pd6 s GLU 254 Ca -0.00 0.59 0.05 0.00 0.02 0.00 0.00 54.97 55.63 2pd6 s GLU 254 Cb -0.15 -3.41 0.19 0.00 0.10 0.00 0.00 34.13 30.86 2pd6 s GLU 254 CO 0.01 0.20 0.52 0.28 0.02 0.00 0.00 175.26 176.29 2pd6 n VAL 255 N 3.44 1.05 -0.20 2.63 0.31 -0.16 -4.88 118.33 120.52 2pd6 n VAL 255 Ca -0.06 -4.59 0.00 0.00 -0.01 0.00 0.00 64.34 59.68 2pd6 n VAL 255 Cb 0.51 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 2pd6 n VAL 255 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2pd6 n THR 256 N 1.88 0.00 -1.22 2.52 -2.24 -1.26 -1.40 114.28 112.55 2pd6 n THR 256 Ca 0.24 -0.36 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 2pd6 n THR 256 Cb 0.40 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 2pd6 n THR 256 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pd6 n GLY 257 N 0.21 0.91 1.33 3.38 0.00 -1.26 -2.14 105.19 107.62 2pd6 n GLY 257 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2pd6 n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pd6 n GLY 258 N -1.21 0.65 3.56 -0.02 0.00 -1.26 -2.33 105.19 104.57 2pd6 n GLY 258 Ca -0.08 -0.11 -0.58 0.00 0.00 0.00 0.00 46.02 45.25 2pd6 n GLY 258 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pd6 n LEU 259 N 0.00 0.58 0.00 0.99 7.94 -0.91 -4.48 117.00 121.12 2pd6 n LEU 259 Ca 0.00 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 2pd6 n LEU 259 Cb 0.00 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 42.97 2pd6 n LEU 259 CO 0.00 -1.54 0.00 0.49 -1.11 0.00 0.00 177.39 175.23