#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pd6 n GLN 6 N 0.00 0.55 -3.17 2.12 10.64 -1.26 -5.11 117.38 121.15 2pd6 n GLN 6 Ca 0.00 -0.73 -0.24 0.00 -1.83 0.00 0.00 57.00 54.20 2pd6 n GLN 6 Cb 0.00 0.48 -0.05 0.00 -0.86 0.00 0.00 30.24 29.81 2pd6 n GLN 6 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2pd6 n ASN 7 N -2.26 2.50 -0.97 2.61 3.02 -1.26 -3.83 115.26 115.07 2pd6 n ASN 7 Ca -0.00 -3.25 0.12 0.00 -0.03 0.00 0.00 54.58 51.41 2pd6 n ASN 7 Cb 0.13 -0.62 0.22 0.00 -0.61 0.00 0.00 39.78 38.91 2pd6 n ASN 7 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2pd6 n ARG 8 N 0.48 2.30 -1.06 3.52 1.74 -1.15 -4.41 116.66 118.08 2pd6 n ARG 8 Ca 0.27 -1.93 0.04 0.00 -0.77 0.00 0.00 57.85 55.46 2pd6 n ARG 8 Cb 0.49 -1.48 0.13 0.00 -1.02 0.00 0.00 32.46 30.58 2pd6 n ARG 8 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2pd6 n LEU 9 N 1.21 2.13 0.26 0.55 4.77 -0.71 -4.75 117.00 120.46 2pd6 n LEU 9 Ca 0.17 -3.20 0.09 0.00 -0.03 0.00 0.00 56.01 53.04 2pd6 n LEU 9 Cb 0.55 -0.30 0.68 0.00 -2.33 0.00 0.00 43.42 42.03 2pd6 n LEU 9 CO 0.15 1.09 1.06 0.03 -1.33 0.00 0.00 177.39 178.39 2pd6 h ARG 10 N 1.09 0.00 -0.19 3.23 2.47 -1.72 -0.58 114.38 118.68 2pd6 h ARG 10 Ca -0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2pd6 h ARG 10 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 2pd6 h ARG 10 CO 0.07 0.02 0.00 -1.13 0.56 0.00 0.00 179.97 179.49 2pd6 n SER 11 N -4.37 2.89 -4.78 7.04 3.41 -1.26 -4.69 113.62 111.85 2pd6 n SER 11 Ca -0.03 -1.92 -0.38 0.00 -0.26 0.00 0.00 58.87 56.29 2pd6 n SER 11 Cb 0.11 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 2pd6 n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pd6 s ALA 12 N -1.77 3.29 -0.25 7.33 0.00 -0.25 -4.97 121.76 125.14 2pd6 s ALA 12 Ca 0.34 0.49 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 2pd6 s ALA 12 Cb 0.21 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 2pd6 s ALA 12 CO 0.31 0.21 0.07 -1.17 0.00 0.00 0.00 175.76 175.17 2pd6 s LEU 13 N -1.76 3.43 -0.13 0.00 2.96 -1.26 -1.42 118.68 120.50 2pd6 s LEU 13 Ca 0.46 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 2pd6 s LEU 13 Cb -0.20 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2pd6 s LEU 13 CO 0.26 -0.04 -0.11 0.00 -1.32 0.00 0.00 176.35 175.13 2pd6 s ALA 14 N 1.60 2.70 -0.22 5.97 0.00 0.48 -1.27 121.76 131.02 2pd6 s ALA 14 Ca 0.06 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 2pd6 s ALA 14 Cb -0.15 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 2pd6 s ALA 14 CO 0.03 0.25 0.08 -1.17 0.00 0.00 0.00 175.76 174.95 2pd6 s LEU 15 N 0.32 3.67 -0.16 0.00 2.96 0.38 0.23 118.68 126.08 2pd6 s LEU 15 Ca -0.09 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2pd6 s LEU 15 Cb -0.15 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.60 2pd6 s LEU 15 CO 0.05 0.06 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.29 2pd6 s VAL 16 N 1.03 1.75 0.21 1.68 1.01 -0.32 -1.12 120.40 124.64 2pd6 s VAL 16 Ca 0.04 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 2pd6 s VAL 16 Cb -0.14 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2pd6 s VAL 16 CO 0.03 0.49 0.44 0.42 0.00 0.00 0.00 175.10 176.48 2pd6 s THR 17 N 1.39 5.13 -1.71 3.92 -4.23 -0.37 -0.25 115.64 119.53 2pd6 s THR 17 Ca 0.04 -0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 60.46 2pd6 s THR 17 Cb -0.13 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.02 2pd6 s THR 17 CO -0.11 -0.14 0.07 0.61 -0.54 0.00 0.00 174.62 174.51 2pd6 n GLY 18 N -0.47 -0.47 0.00 3.99 0.00 -0.27 -2.29 105.19 105.68 2pd6 n GLY 18 Ca -0.03 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.16 1.91 0.74 4.61 0.00 -0.42 -3.43 120.51 121.76 2pd6 n ALA 19 Ca -0.23 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.27 2pd6 n ALA 19 Cb 0.68 -1.30 0.47 0.00 0.00 0.00 0.00 19.45 19.30 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 0.36 -1.63 3.44 0.00 0.00 -1.26 -3.27 105.19 102.83 2pd6 n GLY 20 Ca 0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.02 -0.15 0.70 1.61 0.15 -1.22 -4.72 113.70 106.05 2pd6 s SER 21 Ca 0.12 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.16 2pd6 s SER 21 Cb 0.14 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2pd6 s SER 21 CO 0.57 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.64 2pd6 n GLY 22 N -0.29 2.91 0.25 9.45 0.00 -1.26 -1.99 105.19 114.26 2pd6 n GLY 22 Ca -0.10 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 1.27 -0.63 -0.61 2.04 -1.89 -1.44 117.51 116.25 2pd6 h ILE 23 Ca 0.00 -1.10 0.07 0.00 1.00 0.00 0.00 64.86 64.82 2pd6 h ILE 23 Cb 0.00 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 2pd6 h ILE 23 CO 0.00 0.38 0.32 1.23 0.00 0.00 0.00 178.15 180.08 2pd6 h GLY 24 N 0.67 0.92 0.72 5.37 0.00 -1.53 0.12 103.07 109.34 2pd6 h GLY 24 Ca 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2pd6 h GLY 24 CO 0.03 0.10 -0.01 -0.09 0.00 0.00 0.00 176.54 176.57 2pd6 h ARG 25 N 0.59 0.14 -0.96 4.80 2.43 -1.24 -1.22 114.38 118.90 2pd6 h ARG 25 Ca 0.29 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.50 2pd6 h ARG 25 Cb 0.24 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 2pd6 h ARG 25 CO -0.21 0.43 0.62 0.00 -1.51 0.00 0.00 179.97 179.30 2pd6 h ALA 26 N 0.70 1.49 -0.07 2.80 0.00 -0.99 -1.15 119.26 122.05 2pd6 h ALA 26 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2pd6 h ALA 26 Cb 0.37 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2pd6 h ALA 26 CO 0.01 0.35 0.02 0.28 0.00 0.00 0.00 179.25 179.90 2pd6 h VAL 27 N 1.07 1.17 -0.57 0.00 2.07 -0.57 -0.56 116.25 118.85 2pd6 h VAL 27 Ca 0.43 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.52 2pd6 h VAL 27 Cb 0.27 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 2pd6 h VAL 27 CO -0.18 0.15 0.21 0.28 0.02 0.00 0.00 177.57 178.05 2pd6 h SER 28 N -0.08 0.21 -0.66 0.57 0.02 -0.86 0.67 113.55 113.43 2pd6 h SER 28 Ca 0.02 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2pd6 h SER 28 Cb 0.21 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 2pd6 h SER 28 CO -0.00 0.14 0.16 0.58 -1.14 0.00 0.00 176.83 176.56 2pd6 h VAL 29 N 0.40 1.26 -0.16 2.27 2.07 -1.01 -1.50 116.25 119.57 2pd6 h VAL 29 Ca 0.28 -0.96 -0.10 0.00 0.82 0.00 0.00 66.70 66.74 2pd6 h VAL 29 Cb 0.33 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2pd6 h VAL 29 CO -0.28 0.37 -0.30 -0.09 0.02 0.00 0.00 177.57 177.28 2pd6 h ARG 30 N 1.03 0.49 -0.57 1.57 9.65 -0.49 -1.39 114.38 124.67 2pd6 h ARG 30 Ca 0.21 -0.31 -0.04 0.00 -1.10 0.00 0.00 59.98 58.74 2pd6 h ARG 30 Cb 0.37 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 2pd6 h ARG 30 CO 0.00 0.92 0.19 -0.07 2.80 0.00 0.00 179.97 183.81 2pd6 h LEU 31 N 0.13 0.82 -0.93 3.80 3.38 -0.83 -1.78 115.31 119.91 2pd6 h LEU 31 Ca 0.01 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.80 2pd6 h LEU 31 Cb 0.89 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 2pd6 h LEU 31 CO 0.07 0.80 0.61 0.00 0.09 0.00 0.00 178.44 180.00 2pd6 h ALA 32 N 1.05 1.19 -0.17 1.53 0.00 -1.29 -1.75 119.26 119.83 2pd6 h ALA 32 Ca 0.19 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2pd6 h ALA 32 Cb 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2pd6 h ALA 32 CO -0.01 0.54 0.12 0.78 0.00 0.00 0.00 179.25 180.68 2pd6 h GLY 33 N 1.23 0.15 0.93 0.00 0.00 -0.74 -1.61 103.07 103.03 2pd6 h GLY 33 Ca 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2pd6 h GLY 33 CO -0.09 0.05 -0.02 1.18 0.00 0.00 0.00 176.54 177.66 2pd6 n GLU 34 N -4.51 0.90 0.00 4.80 1.02 -0.71 -4.75 120.64 117.39 2pd6 n GLU 34 Ca 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2pd6 n GLU 34 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2pd6 n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pd6 n GLY 35 N 1.13 0.76 3.80 0.62 0.00 -0.60 -1.73 105.19 109.17 2pd6 n GLY 35 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 2.94 -0.11 4.61 0.00 -0.72 -4.21 121.76 122.27 2pd6 s ALA 36 Ca 0.00 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 52.29 2pd6 s ALA 36 Cb 0.00 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 2pd6 s ALA 36 CO 0.00 -0.17 0.67 0.99 0.00 0.00 0.00 175.76 177.25 2pd6 s THR 37 N -2.02 5.05 -0.19 0.00 2.01 -0.51 -4.20 115.64 115.78 2pd6 s THR 37 Ca 0.65 1.34 -0.05 0.00 0.31 0.00 0.00 61.69 63.93 2pd6 s THR 37 Cb -0.14 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 2pd6 s THR 37 CO 0.18 0.21 0.01 -0.69 -0.69 0.00 0.00 174.62 173.64 2pd6 s VAL 38 N 1.13 4.14 -0.55 3.82 1.01 -1.26 -0.39 120.40 128.30 2pd6 s VAL 38 Ca 0.34 -0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 2pd6 s VAL 38 Cb -0.17 -2.86 0.07 0.00 0.00 0.00 0.00 36.38 33.42 2pd6 s VAL 38 CO 0.15 0.44 0.72 0.00 0.00 0.00 0.00 175.10 176.41 2pd6 s ALA 39 N 0.78 3.34 -0.38 5.51 0.00 0.14 -1.70 121.76 129.44 2pd6 s ALA 39 Ca 0.01 -1.84 -0.17 0.00 0.00 0.00 0.00 51.96 49.95 2pd6 s ALA 39 Cb -0.14 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2pd6 s ALA 39 CO 0.02 -2.24 0.45 0.00 0.00 0.00 0.00 175.76 173.99 2pd6 s ALA 40 N 2.95 3.46 -0.08 0.00 0.00 -0.05 -1.17 121.76 126.86 2pd6 s ALA 40 Ca 0.16 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2pd6 s ALA 40 Cb -0.20 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 2pd6 s ALA 40 CO 0.11 -1.34 -0.11 0.00 0.00 0.00 0.00 175.76 174.42 2pd6 s ASP 42 N -0.43 -0.12 0.41 0.00 -1.08 -0.90 -1.11 116.67 113.44 2pd6 s ASP 42 Ca 0.06 -0.27 0.10 0.00 -0.52 0.00 0.00 52.55 51.91 2pd6 s ASP 42 Cb -0.12 0.38 0.91 0.00 -1.46 0.00 0.00 42.92 42.63 2pd6 s ASP 42 CO 0.02 -0.68 2.01 0.25 0.52 0.00 0.00 175.17 177.29 2pd6 h LEU 43 N 2.97 0.46 -8.35 -1.34 5.85 -1.86 -2.39 115.31 110.66 2pd6 h LEU 43 Ca -0.32 -0.00 -0.72 0.00 0.84 0.00 0.00 57.88 57.67 2pd6 h LEU 43 Cb 1.21 -0.10 -0.24 0.00 0.37 0.00 0.00 40.66 41.90 2pd6 h LEU 43 CO 0.48 0.31 -0.44 -0.62 -0.34 0.00 0.00 178.44 177.82 2pd6 s ASP 44 N -6.41 5.92 0.22 1.25 2.15 -1.26 -4.65 116.67 113.90 2pd6 s ASP 44 Ca -0.08 -1.13 -0.08 0.00 0.43 0.00 0.00 52.55 51.69 2pd6 s ASP 44 Cb 0.19 -2.09 0.18 0.00 -0.30 0.00 0.00 42.92 40.89 2pd6 s ASP 44 CO 0.75 -0.49 1.84 -0.09 -0.17 0.00 0.00 175.17 177.00 2pd6 h ARG 45 N 8.56 1.17 0.00 4.34 2.43 -1.90 -1.85 114.38 127.14 2pd6 h ARG 45 Ca -0.26 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 58.74 2pd6 h ARG 45 Cb 1.11 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2pd6 h ARG 45 CO 0.75 0.86 -0.13 0.00 -1.51 0.00 0.00 179.97 179.94 2pd6 h ALA 46 N 1.24 1.44 -0.14 2.80 0.00 -1.95 -0.91 119.26 121.74 2pd6 h ALA 46 Ca 0.29 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.87 2pd6 h ALA 46 Cb 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2pd6 h ALA 46 CO -0.05 0.16 -0.77 0.00 0.00 0.00 0.00 179.25 178.59 2pd6 h ALA 47 N 1.87 0.28 -0.45 0.00 0.00 -1.67 -1.58 119.26 117.71 2pd6 h ALA 47 Ca -0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2pd6 h ALA 47 Cb 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2pd6 h ALA 47 CO 0.02 0.65 0.28 0.00 0.00 0.00 0.00 179.25 180.20 2pd6 h ALA 48 N 0.53 0.57 -0.62 0.00 0.00 -1.15 -1.86 119.26 116.74 2pd6 h ALA 48 Ca -0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2pd6 h ALA 48 Cb 1.41 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2pd6 h ALA 48 CO 0.16 0.06 0.20 1.96 0.00 0.00 0.00 179.25 181.62 2pd6 h GLN 49 N 0.60 0.96 -0.42 0.00 4.20 -1.14 -1.98 115.11 117.32 2pd6 h GLN 49 Ca 0.16 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.68 2pd6 h GLN 49 Cb -0.01 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 2pd6 h GLN 49 CO -0.03 0.85 0.26 1.49 -0.67 0.00 0.00 178.83 180.73 2pd6 h GLU 50 N 0.89 0.52 -0.64 1.46 4.81 -1.13 -1.95 114.58 118.54 2pd6 h GLU 50 Ca 0.20 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.48 2pd6 h GLU 50 Cb 0.29 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 2pd6 h GLU 50 CO -0.01 0.34 0.31 1.15 -0.73 0.00 0.00 179.01 180.07 2pd6 h THR 51 N 0.53 0.87 -0.91 0.32 2.02 -1.13 -1.82 112.91 112.79 2pd6 h THR 51 Ca 0.16 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.16 2pd6 h THR 51 Cb -0.02 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 2pd6 h THR 51 CO -0.06 0.10 0.60 0.58 0.37 0.00 0.00 175.52 177.11 2pd6 h VAL 52 N 0.55 1.24 0.00 3.16 2.07 -0.99 -1.28 116.25 121.00 2pd6 h VAL 52 Ca 0.31 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2pd6 h VAL 52 Cb 0.29 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2pd6 h VAL 52 CO -0.24 0.23 -0.10 0.03 0.02 0.00 0.00 177.57 177.51 2pd6 h ARG 53 N 1.24 0.00 -0.00 1.57 2.47 -0.58 -2.51 114.38 116.57 2pd6 h ARG 53 Ca 0.33 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 2pd6 h ARG 53 Cb -0.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.19 2pd6 h ARG 53 CO -0.07 0.10 -0.03 1.28 0.56 0.00 0.00 179.97 181.81 2pd6 n LEU 54 N -4.42 0.05 0.00 3.04 4.77 -0.49 -5.12 117.00 114.83 2pd6 n LEU 54 Ca -0.03 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2pd6 n LEU 54 Cb 0.18 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2pd6 n LEU 54 CO 0.35 0.01 0.00 0.18 -1.33 0.00 0.00 177.39 176.60 2pd6 n LEU 55 N -1.36 0.00 -4.92 2.23 4.77 -0.95 -5.00 117.00 111.77 2pd6 n LEU 55 Ca 0.11 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.79 2pd6 n LEU 55 Cb 0.29 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2pd6 n LEU 55 CO 0.25 0.00 -0.09 0.20 -1.33 0.00 0.00 177.39 176.42 2pd6 s ASN 68 N -1.00 6.38 0.72 -1.43 0.02 -1.26 -5.04 114.94 113.33 2pd6 s ASN 68 Ca 0.00 0.32 -0.16 0.00 -1.02 0.00 0.00 52.86 52.00 2pd6 s ASN 68 Cb 0.00 -1.98 0.03 0.00 0.02 0.00 0.00 41.25 39.32 2pd6 s ASN 68 CO 0.00 0.11 1.25 -1.00 0.02 0.00 0.00 177.10 177.48 2pd6 s HIS 69 N -1.61 1.96 0.01 2.20 3.76 -1.26 -4.85 115.29 115.49 2pd6 s HIS 69 Ca 0.36 1.57 -0.10 0.00 -0.15 0.00 0.00 55.06 56.74 2pd6 s HIS 69 Cb -0.12 -3.59 0.01 0.00 1.11 0.00 0.00 32.58 29.98 2pd6 s HIS 69 CO 0.28 -2.87 0.21 0.00 -0.85 0.00 0.00 174.74 171.50 2pd6 s ALA 70 N -1.75 -0.48 -0.07 -1.40 0.00 -0.69 -5.00 121.76 112.37 2pd6 s ALA 70 Ca 0.78 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.70 2pd6 s ALA 70 Cb -0.33 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 2pd6 s ALA 70 CO 0.44 -0.26 0.04 0.00 0.00 0.00 0.00 175.76 175.99 2pd6 s ALA 71 N -1.65 3.45 -0.00 0.00 0.00 -1.26 -0.87 121.76 121.42 2pd6 s ALA 71 Ca -0.12 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.06 2pd6 s ALA 71 Cb -0.05 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 2pd6 s ALA 71 CO 0.01 0.62 -0.10 -0.06 0.00 0.00 0.00 175.76 176.24 2pd6 s PHE 72 N -1.00 0.86 -0.16 0.00 0.08 0.18 -4.94 117.98 113.01 2pd6 s PHE 72 Ca 0.16 -0.18 -0.09 0.00 0.12 0.00 0.00 56.93 56.95 2pd6 s PHE 72 Cb -0.12 -0.55 -0.04 0.00 -0.57 0.00 0.00 43.02 41.74 2pd6 s PHE 72 CO 0.06 -0.01 0.14 -1.14 -0.10 0.00 0.00 175.22 174.16 2pd6 s GLN 73 N -0.32 3.81 -0.23 0.44 -0.44 -1.26 -2.13 119.66 119.53 2pd6 s GLN 73 Ca 0.03 -0.17 -0.26 0.00 -2.50 0.00 0.00 55.36 52.46 2pd6 s GLN 73 Cb -0.04 -3.30 0.08 0.00 -1.64 0.00 0.00 33.01 28.11 2pd6 s GLN 73 CO -0.00 0.54 0.78 0.00 0.50 0.00 0.00 175.29 177.11 2pd6 s ALA 74 N -0.35 -1.82 -0.50 1.58 0.00 -0.90 -4.94 121.76 114.85 2pd6 s ALA 74 Ca 0.12 1.87 -0.18 0.00 0.00 0.00 0.00 51.96 53.77 2pd6 s ALA 74 Cb -0.12 -1.01 0.06 0.00 0.00 0.00 0.00 23.12 22.05 2pd6 s ALA 74 CO 0.01 -0.33 0.57 0.34 0.00 0.00 0.00 175.76 176.35 2pd6 s ASP 75 N 0.04 6.20 0.24 0.00 -1.08 -1.26 -3.00 116.67 117.82 2pd6 s ASP 75 Ca -0.01 -1.03 0.23 0.00 -0.52 0.00 0.00 52.55 51.22 2pd6 s ASP 75 Cb -0.04 -2.26 0.96 0.00 -1.46 0.00 0.00 42.92 40.12 2pd6 s ASP 75 CO 0.01 -0.83 1.70 1.33 0.52 0.00 0.00 175.17 177.90 2pd6 n VAL 76 N 5.51 0.83 0.45 1.11 0.24 -1.26 -1.67 118.33 123.54 2pd6 n VAL 76 Ca -0.08 0.23 0.12 0.00 -2.04 0.00 0.00 64.34 62.57 2pd6 n VAL 76 Cb 0.45 -1.15 0.47 0.00 -1.47 0.00 0.00 33.84 32.14 2pd6 n VAL 76 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2pd6 n SER 77 N -2.20 0.72 -4.66 -1.34 3.41 -1.26 -4.12 113.62 104.17 2pd6 n SER 77 Ca 0.02 0.65 -0.39 0.00 -0.26 0.00 0.00 58.87 58.89 2pd6 n SER 77 Cb 0.23 -0.81 -0.07 0.00 -0.26 0.00 0.00 64.21 63.29 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 -3.27 4.17 0.23 4.33 2.02 -0.67 -4.75 118.70 120.76 2pd6 s GLU 78 Ca 0.06 0.31 -0.07 0.00 0.02 0.00 0.00 54.97 55.28 2pd6 s GLU 78 Cb 0.10 -3.56 0.29 0.00 0.10 0.00 0.00 34.13 31.07 2pd6 s GLU 78 CO 0.44 -0.11 1.83 0.00 0.02 0.00 0.00 175.26 177.44 2pd6 h ALA 79 N 7.47 1.04 -0.62 5.21 0.00 -1.87 -0.50 119.26 129.99 2pd6 h ALA 79 Ca -0.34 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2pd6 h ALA 79 Cb 1.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2pd6 h ALA 79 CO 0.73 0.15 0.04 -0.09 0.00 0.00 0.00 179.25 180.07 2pd6 h ARG 80 N 0.81 1.08 -0.37 0.00 2.43 -1.94 -2.51 114.38 113.88 2pd6 h ARG 80 Ca 0.34 -0.33 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 2pd6 h ARG 80 Cb 0.20 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2pd6 h ARG 80 CO -0.18 1.03 -0.31 0.00 -1.51 0.00 0.00 179.97 178.99 2pd6 h ALA 81 N 1.01 0.75 -0.59 2.80 0.00 -1.70 -1.03 119.26 120.50 2pd6 h ALA 81 Ca 0.18 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2pd6 h ALA 81 Cb 0.52 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2pd6 h ALA 81 CO 0.03 0.66 0.21 0.00 0.00 0.00 0.00 179.25 180.14 2pd6 h ALA 82 N 0.95 0.77 -0.24 0.00 0.00 -1.02 0.28 119.26 120.00 2pd6 h ALA 82 Ca 0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2pd6 h ALA 82 Cb 0.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2pd6 h ALA 82 CO 0.08 0.41 -0.04 -0.09 0.00 0.00 0.00 179.25 179.61 2pd6 h ARG 83 N 0.83 0.45 -0.90 0.00 2.43 -1.38 -2.93 114.38 112.88 2pd6 h ARG 83 Ca 0.19 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2pd6 h ARG 83 Cb 0.24 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 2pd6 h ARG 83 CO -0.01 0.66 0.54 0.00 -1.51 0.00 0.00 179.97 179.65 2pd6 h LEU 85 N 1.25 -0.76 -0.75 0.00 5.85 -0.90 0.12 115.31 120.12 2pd6 h LEU 85 Ca 0.32 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 59.12 2pd6 h LEU 85 Cb -0.05 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2pd6 h LEU 85 CO -0.06 -0.32 0.34 -0.07 -0.34 0.00 0.00 178.44 178.00 2pd6 h LEU 86 N -0.37 0.99 -0.86 2.25 -0.00 -1.27 -0.64 115.31 115.41 2pd6 h LEU 86 Ca 0.07 -0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.78 2pd6 h LEU 86 Cb 0.48 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.84 2pd6 h LEU 86 CO -0.25 0.86 0.40 -0.33 -0.00 0.00 0.00 178.44 179.12 2pd6 h GLU 87 N 1.06 1.23 -0.32 1.13 5.08 -1.00 -1.47 114.58 120.29 2pd6 h GLU 87 Ca 0.26 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2pd6 h GLU 87 Cb 0.14 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2pd6 h GLU 87 CO -0.03 0.95 0.08 1.96 -1.00 0.00 0.00 179.01 180.96 2pd6 h GLN 88 N 1.21 0.51 -0.41 2.33 4.20 -0.31 0.59 115.11 123.23 2pd6 h GLN 88 Ca 0.29 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.90 2pd6 h GLN 88 Cb 0.13 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2pd6 h GLN 88 CO -0.04 0.57 0.22 0.28 -0.67 0.00 0.00 178.83 179.20 2pd6 h VAL 89 N 0.35 1.01 -0.78 -0.54 2.07 -1.00 -1.27 116.25 116.08 2pd6 h VAL 89 Ca 0.10 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2pd6 h VAL 89 Cb 0.30 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2pd6 h VAL 89 CO 0.00 0.08 0.42 1.56 0.02 0.00 0.00 177.57 179.65 2pd6 h GLN 90 N 0.45 1.10 -0.35 1.57 4.20 -1.09 -1.30 115.11 119.68 2pd6 h GLN 90 Ca 0.17 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 2pd6 h GLN 90 Cb 0.05 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 2pd6 h GLN 90 CO -0.10 0.81 0.05 0.00 -0.67 0.00 0.00 178.83 178.92 2pd6 h ALA 91 N 1.36 0.47 -0.34 3.87 0.00 -0.47 0.65 119.26 124.79 2pd6 h ALA 91 Ca 0.28 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2pd6 h ALA 91 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2pd6 h ALA 91 CO -0.04 0.18 -0.24 0.00 0.00 0.00 0.00 179.25 179.15 2pd6 n PHE 93 N -4.26 0.00 -1.80 0.00 3.72 -0.51 -4.99 117.46 109.62 2pd6 n PHE 93 Ca -0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.22 2pd6 n PHE 93 Cb 0.44 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.73 -4.81 -3.57 4.37 7.64 0.22 -4.97 113.62 111.76 2pd6 n SER 94 Ca 0.05 0.22 -0.07 0.00 1.01 0.00 0.00 58.87 60.09 2pd6 n SER 94 Cb 0.30 -3.79 -0.02 0.00 -1.01 0.00 0.00 64.21 59.69 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 -3.92 0.89 0.49 1.43 1.70 -1.23 -5.05 118.95 113.27 2pd6 s ARG 95 Ca 0.00 -0.38 -0.10 0.00 -0.47 0.00 0.00 55.73 54.77 2pd6 s ARG 95 Cb 0.00 0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 2pd6 s ARG 95 CO 0.00 -0.40 0.87 -1.25 -1.08 0.00 0.00 175.30 173.44 2pd6 s PRO 96 N -3.13 3.71 0.20 3.89 0.04 -1.26 -4.16 135.00 134.28 2pd6 s PRO 96 Ca 0.07 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 2pd6 s PRO 96 Cb -0.01 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 2pd6 s PRO 96 CO -0.06 -0.24 1.29 -1.25 0.04 0.00 0.00 177.00 176.77 2pd6 s PRO 97 N -4.43 4.41 0.04 0.56 0.04 -1.26 -4.82 135.00 129.54 2pd6 s PRO 97 Ca 0.52 2.02 0.24 0.00 0.04 0.00 0.00 61.00 63.83 2pd6 s PRO 97 Cb -0.10 -3.20 0.32 0.00 0.04 0.00 0.00 34.50 31.55 2pd6 s PRO 97 CO 0.40 -0.22 1.27 -1.13 0.04 0.00 0.00 177.00 177.37 2pd6 n SER 98 N 2.55 0.60 -3.98 6.66 3.41 -0.40 -4.77 113.62 117.69 2pd6 n SER 98 Ca 0.06 -0.17 -0.26 0.00 -0.26 0.00 0.00 58.87 58.23 2pd6 n SER 98 Cb 0.43 0.39 -0.17 0.00 -0.26 0.00 0.00 64.21 64.60 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 -3.09 1.15 -0.08 -3.33 1.01 -1.00 -0.84 120.40 114.22 2pd6 s VAL 99 Ca 0.08 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2pd6 s VAL 99 Cb 0.16 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.45 2pd6 s VAL 99 CO 0.74 0.38 -0.10 -0.69 0.00 0.00 0.00 175.10 175.42 2pd6 s VAL 100 N 1.18 1.05 -0.18 2.92 1.01 -0.62 -0.47 120.40 125.28 2pd6 s VAL 100 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2pd6 s VAL 100 Cb -0.14 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.28 2pd6 s VAL 100 CO -0.03 0.35 -0.09 -0.69 0.00 0.00 0.00 175.10 174.64 2pd6 s VAL 101 N 1.01 1.47 -0.54 2.92 1.01 -0.27 -0.21 120.40 125.77 2pd6 s VAL 101 Ca -0.08 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 2pd6 s VAL 101 Cb -0.15 -1.55 0.07 0.00 0.00 0.00 0.00 36.38 34.75 2pd6 s VAL 101 CO -0.00 0.19 0.69 -0.44 0.00 0.00 0.00 175.10 175.54 2pd6 s SER 102 N 1.48 6.21 0.00 3.32 0.01 -0.54 -1.23 113.70 122.95 2pd6 s SER 102 Ca 0.00 -1.04 0.06 0.00 1.31 0.00 0.00 55.95 56.28 2pd6 s SER 102 Cb -0.15 -2.31 0.06 0.00 0.21 0.00 0.00 66.02 63.82 2pd6 s SER 102 CO -0.08 -1.02 0.73 0.00 0.41 0.00 0.00 173.24 173.28 2pd6 s ALA 104 N -0.55 3.58 -0.14 0.00 0.00 -1.18 -4.64 121.76 118.84 2pd6 s ALA 104 Ca 0.08 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 2pd6 s ALA 104 Cb 0.05 -3.58 0.13 0.00 0.00 0.00 0.00 23.12 19.72 2pd6 s ALA 104 CO 0.08 -0.83 1.02 0.20 0.00 0.00 0.00 175.76 176.22 2pd6 s GLY 105 N 1.70 -0.29 0.16 0.00 0.00 -1.26 -4.68 107.32 102.95 2pd6 s GLY 105 Ca 0.64 1.81 -0.08 0.00 0.00 0.00 0.00 44.72 47.10 2pd6 s GLY 105 CO 0.28 0.83 0.26 -0.26 0.00 0.00 0.00 173.10 174.21 2pd6 s ILE 106 N -1.67 0.07 0.13 0.90 -4.36 -1.26 -5.04 121.20 109.97 2pd6 s ILE 106 Ca 0.01 -1.43 0.09 0.00 -0.26 0.00 0.00 60.65 59.06 2pd6 s ILE 106 Cb -0.01 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 2pd6 s ILE 106 CO -0.02 -0.32 -0.21 0.42 0.24 0.00 0.00 174.94 175.05 2pd6 s THR 107 N -3.97 1.87 -0.42 8.37 -4.23 -1.26 -4.92 115.64 111.08 2pd6 s THR 107 Ca 0.17 -1.74 0.04 0.00 -1.18 0.00 0.00 61.69 58.99 2pd6 s THR 107 Cb 0.04 -1.75 0.17 0.00 1.34 0.00 0.00 72.50 72.29 2pd6 s THR 107 CO -0.00 -0.14 0.40 -1.58 -0.54 0.00 0.00 174.62 172.77 2pd6 s GLN 108 N -2.29 0.88 0.29 3.99 0.74 -1.26 -5.06 119.66 116.94 2pd6 s GLN 108 Ca 0.12 -1.73 -0.29 0.00 0.05 0.00 0.00 55.36 53.50 2pd6 s GLN 108 Cb -0.08 -1.09 -0.10 0.00 1.10 0.00 0.00 33.01 32.84 2pd6 s GLN 108 CO 0.06 -1.35 1.18 -0.51 -0.55 0.00 0.00 175.29 174.12 2pd6 s ASP 109 N 0.42 7.09 -0.05 6.67 1.01 -1.26 -4.89 116.67 125.65 2pd6 s ASP 109 Ca 0.30 2.41 -0.29 0.00 0.71 0.00 0.00 52.55 55.67 2pd6 s ASP 109 Cb -0.01 -2.63 0.09 0.00 1.01 0.00 0.00 42.92 41.38 2pd6 s ASP 109 CO -0.14 -0.29 0.80 -0.70 0.21 0.00 0.00 175.17 175.05 2pd6 s GLU 110 N -1.45 0.91 0.47 8.23 2.56 -0.28 -5.04 118.70 124.10 2pd6 s GLU 110 Ca 0.47 0.05 -0.24 0.00 0.00 0.00 0.00 54.97 55.25 2pd6 s GLU 110 Cb -0.35 0.42 -0.07 0.00 2.00 0.00 0.00 34.13 36.14 2pd6 s GLU 110 CO 0.45 -0.32 1.26 -0.06 -0.56 0.00 0.00 175.26 176.03 2pd6 s PHE 111 N -1.76 2.69 0.23 5.30 0.08 -1.26 -4.15 117.98 119.12 2pd6 s PHE 111 Ca -0.04 1.45 -0.06 0.00 0.12 0.00 0.00 56.93 58.40 2pd6 s PHE 111 Cb -0.00 -3.58 0.37 0.00 -0.57 0.00 0.00 43.02 39.23 2pd6 s PHE 111 CO 0.02 -2.07 1.78 1.25 -0.10 0.00 0.00 175.22 176.10 2pd6 h LEU 112 N 2.07 0.49 -2.54 -0.37 5.85 -1.97 -0.14 115.31 118.71 2pd6 h LEU 112 Ca -0.50 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.29 2pd6 h LEU 112 Cb 1.26 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 2pd6 h LEU 112 CO 0.60 0.27 0.13 -0.07 -0.34 0.00 0.00 178.44 179.03 2pd6 h LEU 113 N 0.62 0.00 -1.50 2.25 3.38 -2.04 -2.94 115.31 115.08 2pd6 h LEU 113 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2pd6 h LEU 113 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2pd6 h LEU 113 CO -0.28 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.66 2pd6 n HIS 114 N -3.20 0.00 -2.05 1.13 8.25 -0.24 -5.05 115.22 114.06 2pd6 n HIS 114 Ca -0.02 -0.15 -0.42 0.00 -0.26 0.00 0.00 57.72 56.87 2pd6 n HIS 114 Cb 0.21 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.30 4.22 0.70 -0.41 0.00 -0.23 -4.91 119.30 118.37 2pd6 s MET 115 Ca 0.00 2.16 -0.11 0.00 0.00 0.00 0.00 55.69 57.74 2pd6 s MET 115 Cb 0.00 -3.68 0.01 0.00 0.00 0.00 0.00 34.83 31.16 2pd6 s MET 115 CO 0.00 -0.71 1.08 -1.54 0.00 0.00 0.00 175.02 173.85 2pd6 s SER 116 N 2.43 5.46 0.31 1.11 1.04 -1.26 -4.94 113.70 117.85 2pd6 s SER 116 Ca 0.70 1.30 -0.00 0.00 0.48 0.00 0.00 55.95 58.43 2pd6 s SER 116 Cb -0.35 -2.16 0.50 0.00 0.10 0.00 0.00 66.02 64.11 2pd6 s SER 116 CO 0.29 -1.35 1.95 -0.08 0.98 0.00 0.00 173.24 175.04 2pd6 h GLU 117 N -0.66 0.94 -0.64 4.02 4.81 -2.00 -2.41 114.58 118.64 2pd6 h GLU 117 Ca -0.45 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 58.62 2pd6 h GLU 117 Cb 1.23 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2pd6 h GLU 117 CO 0.62 0.67 0.09 0.22 -0.73 0.00 0.00 179.01 179.87 2pd6 h ASP 118 N 0.96 1.03 -0.57 1.04 3.58 -1.98 -0.51 116.42 119.96 2pd6 h ASP 118 Ca 0.25 -0.27 0.11 0.00 0.42 0.00 0.00 57.03 57.55 2pd6 h ASP 118 Cb -0.03 -0.27 -0.09 0.00 1.72 0.00 0.00 39.33 40.66 2pd6 h ASP 118 CO -0.05 1.04 0.04 0.44 -2.88 0.00 0.00 179.24 177.83 2pd6 h ASP 119 N 0.98 -0.16 0.12 2.28 3.32 -1.80 -1.37 116.42 119.79 2pd6 h ASP 119 Ca 0.19 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 2pd6 h ASP 119 Cb 0.45 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2pd6 h ASP 119 CO 0.01 -0.06 -0.06 -0.25 -1.72 0.00 0.00 179.24 177.17 2pd6 h TRP 120 N 0.16 -0.15 -0.39 4.55 2.91 -1.26 -3.23 115.95 118.54 2pd6 h TRP 120 Ca 0.30 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.29 2pd6 h TRP 120 Cb 0.46 0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.14 2pd6 h TRP 120 CO -0.31 0.32 0.14 -0.44 -1.03 0.00 0.00 178.44 177.12 2pd6 h ASP 121 N -0.74 0.55 -0.62 2.65 3.32 -1.01 -1.98 116.42 118.59 2pd6 h ASP 121 Ca -0.02 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.86 2pd6 h ASP 121 Cb 0.54 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2pd6 h ASP 121 CO 0.03 0.59 0.40 0.50 -1.72 0.00 0.00 179.24 179.04 2pd6 h LYS 122 N 0.48 0.79 -0.46 3.56 1.63 -1.39 -0.78 116.57 120.39 2pd6 h LYS 122 Ca 0.13 -0.05 -0.14 0.00 -0.85 0.00 0.00 60.65 59.74 2pd6 h LYS 122 Cb 0.22 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 2pd6 h LYS 122 CO -0.01 0.52 -0.24 0.28 -3.45 0.00 0.00 179.45 176.55 2pd6 h VAL 123 N 0.81 1.27 -0.56 2.00 2.07 -1.52 -1.70 116.25 118.63 2pd6 h VAL 123 Ca 0.23 -1.41 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 2pd6 h VAL 123 Cb -0.06 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2pd6 h VAL 123 CO -0.07 0.48 -0.03 0.40 0.02 0.00 0.00 177.57 178.37 2pd6 h ILE 124 N 0.83 1.27 -0.10 4.57 1.08 -1.18 -0.34 117.51 123.64 2pd6 h ILE 124 Ca 0.10 -1.17 -0.02 0.00 -0.39 0.00 0.00 64.86 63.38 2pd6 h ILE 124 Cb 0.82 0.90 -0.00 0.00 -3.07 0.00 0.00 36.82 35.47 2pd6 h ILE 124 CO 0.07 0.42 0.00 0.00 -0.69 0.00 0.00 178.15 177.95 2pd6 h ALA 125 N 0.95 0.14 0.16 1.87 0.00 -1.01 -1.09 119.26 120.27 2pd6 h ALA 125 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pd6 h ALA 125 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2pd6 h ALA 125 CO 0.04 -0.18 -0.08 0.28 0.00 0.00 0.00 179.25 179.30 2pd6 h VAL 126 N -0.09 0.87 -0.01 0.00 2.07 -1.31 -1.35 116.25 116.43 2pd6 h VAL 126 Ca 0.03 -1.10 -0.24 0.00 0.82 0.00 0.00 66.70 66.21 2pd6 h VAL 126 Cb 0.34 1.45 0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2pd6 h VAL 126 CO 0.00 0.22 -0.97 0.78 0.02 0.00 0.00 177.57 177.62 2pd6 h ASN 127 N -0.83 0.71 0.00 0.57 4.21 -1.15 -3.08 115.58 116.01 2pd6 h ASN 127 Ca -0.02 -0.56 0.00 0.00 1.21 0.00 0.00 56.30 56.93 2pd6 h ASN 127 Cb 0.53 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 2pd6 h ASN 127 CO 0.04 1.36 -0.73 -0.11 -1.29 0.00 0.00 177.43 176.70 2pd6 n LEU 128 N -3.80 1.44 -0.23 1.61 7.94 -0.51 -3.84 117.00 119.61 2pd6 n LEU 128 Ca -0.08 0.25 0.01 0.00 -1.11 0.00 0.00 56.01 55.08 2pd6 n LEU 128 Cb 0.85 -0.68 0.13 0.00 0.53 0.00 0.00 43.42 44.24 2pd6 n LEU 128 CO 0.53 -0.33 1.03 0.50 -1.11 0.00 0.00 177.39 178.00 2pd6 h LYS 129 N -0.74 0.48 0.01 1.96 3.64 -1.36 -0.07 116.57 120.49 2pd6 h LYS 129 Ca 0.00 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2pd6 h LYS 129 Cb 0.73 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2pd6 h LYS 129 CO 0.00 0.32 -0.10 0.78 -2.27 0.00 0.00 179.45 178.18 2pd6 h GLY 130 N 0.50 -0.13 0.84 5.01 0.00 -1.14 0.46 103.07 108.61 2pd6 h GLY 130 Ca 0.33 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.82 2pd6 h GLY 130 CO -0.30 -0.11 0.39 -0.84 0.00 0.00 0.00 176.54 175.68 2pd6 h THR 131 N -0.18 1.06 -0.08 4.70 2.02 -1.60 -0.55 112.91 118.28 2pd6 h THR 131 Ca 0.04 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.00 2pd6 h THR 131 Cb 0.22 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.83 2pd6 h THR 131 CO -0.10 0.14 -0.24 0.15 0.37 0.00 0.00 175.52 175.84 2pd6 h PHE 132 N 0.75 -0.63 -0.55 3.16 3.57 -0.43 -0.49 116.94 122.34 2pd6 h PHE 132 Ca 0.26 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 2pd6 h PHE 132 Cb 0.04 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 2pd6 h PHE 132 CO -0.06 -0.32 0.14 -0.07 -2.23 0.00 0.00 178.31 175.77 2pd6 h LEU 133 N -0.33 0.78 -0.20 0.59 3.38 0.37 -0.62 115.31 119.28 2pd6 h LEU 133 Ca 0.08 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 2pd6 h LEU 133 Cb 0.45 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2pd6 h LEU 133 CO -0.26 0.76 -0.38 0.58 0.09 0.00 0.00 178.44 179.23 2pd6 h VAL 134 N 0.80 1.33 -0.36 1.22 2.07 -1.00 -0.70 116.25 119.61 2pd6 h VAL 134 Ca 0.18 -1.61 0.05 0.00 0.82 0.00 0.00 66.70 66.14 2pd6 h VAL 134 Cb 0.29 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 2pd6 h VAL 134 CO -0.00 0.50 0.11 0.74 0.02 0.00 0.00 177.57 178.94 2pd6 h THR 135 N 0.28 0.88 0.10 2.57 2.02 -0.91 0.85 112.91 118.69 2pd6 h THR 135 Ca 0.01 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 2pd6 h THR 135 Cb 0.97 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2pd6 h THR 135 CO 0.08 0.05 -0.05 -0.61 0.37 0.00 0.00 175.52 175.37 2pd6 h GLN 136 N 0.26 -0.12 -0.35 6.66 4.15 -1.10 -0.41 115.11 124.19 2pd6 h GLN 136 Ca 0.17 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.54 2pd6 h GLN 136 Cb 0.16 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2pd6 h GLN 136 CO -0.18 0.05 -0.04 0.00 -1.93 0.00 0.00 178.83 176.73 2pd6 h ALA 137 N 0.60 1.29 -0.41 3.38 0.00 -0.90 -1.43 119.26 121.79 2pd6 h ALA 137 Ca -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2pd6 h ALA 137 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2pd6 h ALA 137 CO 0.02 0.48 0.03 0.00 0.00 0.00 0.00 179.25 179.78 2pd6 h ALA 138 N 1.43 0.55 -0.38 0.00 0.00 -0.69 -2.34 119.26 117.84 2pd6 h ALA 138 Ca 0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2pd6 h ALA 138 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2pd6 h ALA 138 CO 0.02 0.31 0.02 0.00 0.00 0.00 0.00 179.25 179.59 2pd6 h ALA 139 N 0.91 0.51 -0.46 0.00 0.00 -0.79 -1.68 119.26 117.74 2pd6 h ALA 139 Ca 0.12 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2pd6 h ALA 139 Cb 0.44 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2pd6 h ALA 139 CO 0.02 0.26 0.14 1.96 0.00 0.00 0.00 179.25 181.62 2pd6 h GLN 140 N 0.48 0.28 -0.56 0.00 4.20 -1.22 0.65 115.11 118.93 2pd6 h GLN 140 Ca 0.11 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 2pd6 h GLN 140 Cb 0.44 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2pd6 h GLN 140 CO 0.02 0.19 0.08 0.00 -0.67 0.00 0.00 178.83 178.44 2pd6 h ALA 141 N 1.32 1.08 0.11 3.87 0.00 -1.30 -0.12 119.26 124.22 2pd6 h ALA 141 Ca 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pd6 h ALA 141 Cb 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2pd6 h ALA 141 CO -0.25 0.60 -0.05 -0.07 0.00 0.00 0.00 179.25 179.47 2pd6 h LEU 142 N 0.86 -0.13 -0.89 0.00 3.38 -0.99 -2.83 115.31 114.71 2pd6 h LEU 142 Ca 0.17 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2pd6 h LEU 142 Cb 0.40 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2pd6 h LEU 142 CO 0.01 0.32 0.59 0.58 0.09 0.00 0.00 178.44 180.03 2pd6 h VAL 143 N -0.61 1.22 0.00 1.22 2.07 -0.84 -0.72 116.25 118.58 2pd6 h VAL 143 Ca -0.02 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 2pd6 h VAL 143 Cb 0.48 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2pd6 h VAL 143 CO 0.03 0.22 -0.27 0.77 0.02 0.00 0.00 177.57 178.33 2pd6 h SER 144 N 1.19 0.00 -0.05 0.57 4.64 -1.04 -2.46 113.55 116.41 2pd6 h SER 144 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2pd6 h SER 144 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2pd6 h SER 144 CO -0.08 0.27 0.00 0.59 -0.87 0.00 0.00 176.83 176.75 2pd6 n ASN 145 N -3.74 2.50 -1.61 4.97 4.13 -0.95 -4.98 115.26 115.58 2pd6 n ASN 145 Ca -0.01 -1.83 -0.11 0.00 1.68 0.00 0.00 54.58 54.30 2pd6 n ASN 145 Cb 0.38 -0.01 0.02 0.00 -1.54 0.00 0.00 39.78 38.62 2pd6 n ASN 145 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pd6 n GLY 146 N 1.30 0.06 3.58 7.41 0.00 -0.53 -5.04 105.19 111.97 2pd6 n GLY 146 Ca 0.16 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.10 3.61 0.18 0.00 0.52 -1.26 -4.50 118.95 115.40 2pd6 s ARG 148 Ca 0.21 0.29 -0.24 0.00 -0.52 0.00 0.00 55.73 55.47 2pd6 s ARG 148 Cb -0.11 -2.38 0.06 0.00 0.52 0.00 0.00 34.95 33.04 2pd6 s ARG 148 CO 0.13 -0.16 0.76 0.20 0.02 0.00 0.00 175.30 176.25 2pd6 s GLY 149 N -3.83 -0.32 -0.07 -3.53 0.00 -0.71 -4.75 107.32 94.10 2pd6 s GLY 149 Ca 0.49 0.20 -0.02 0.00 0.00 0.00 0.00 44.72 45.39 2pd6 s GLY 149 CO 0.41 0.06 0.02 -0.45 0.00 0.00 0.00 173.10 173.15 2pd6 s SER 150 N -2.81 1.56 -0.16 1.64 0.15 -0.02 -1.26 113.70 112.79 2pd6 s SER 150 Ca 0.08 -0.10 -0.03 0.00 0.70 0.00 0.00 55.95 56.60 2pd6 s SER 150 Cb -0.03 -0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 63.91 2pd6 s SER 150 CO -0.02 -0.22 -0.05 -0.63 1.20 0.00 0.00 173.24 173.52 2pd6 s ILE 151 N 2.03 3.68 -0.12 6.45 1.01 0.65 -1.58 121.20 133.33 2pd6 s ILE 151 Ca 0.05 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 2pd6 s ILE 151 Cb -0.13 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.75 2pd6 s ILE 151 CO -0.05 0.48 -0.09 -0.63 0.00 0.00 0.00 174.94 174.65 2pd6 s ILE 152 N 0.56 1.15 -0.14 2.92 1.01 0.70 -1.40 121.20 126.00 2pd6 s ILE 152 Ca -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 2pd6 s ILE 152 Cb -0.15 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 2pd6 s ILE 152 CO 0.03 0.39 -0.12 0.20 0.00 0.00 0.00 174.94 175.43 2pd6 s ASN 153 N 1.58 4.02 -0.34 3.58 0.01 0.16 -1.47 114.94 122.48 2pd6 s ASN 153 Ca 0.03 -0.34 -0.23 0.00 -0.71 0.00 0.00 52.86 51.62 2pd6 s ASN 153 Cb -0.13 -1.62 0.00 0.00 0.41 0.00 0.00 41.25 39.91 2pd6 s ASN 153 CO -0.08 0.14 0.75 -0.63 -1.51 0.00 0.00 177.10 175.77 2pd6 s ILE 154 N 0.50 4.79 0.00 0.60 -1.09 -0.78 -1.02 121.20 124.19 2pd6 s ILE 154 Ca -0.09 0.91 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 2pd6 s ILE 154 Cb -0.16 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 2pd6 s ILE 154 CO 0.04 -0.35 0.00 -0.24 -1.23 0.00 0.00 174.94 173.16 2pd6 n SER 155 N 6.27 0.00 -3.61 3.58 2.88 0.27 -4.91 113.62 118.09 2pd6 n SER 155 Ca 0.02 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.52 2pd6 n SER 155 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 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 -0.52 -0.14 0.57 -3.46 0.15 -1.25 -4.59 113.70 104.45 2pd6 s SER 156 Ca 0.00 0.10 0.32 0.00 0.70 0.00 0.00 55.95 57.07 2pd6 s SER 156 Cb 0.00 0.12 1.73 0.00 -1.71 0.00 0.00 66.02 66.16 2pd6 s SER 156 CO 0.00 -0.16 2.17 -0.29 1.20 0.00 0.00 173.24 176.15 2pd6 h ILE 157 N 2.14 0.38 -0.03 6.45 6.09 -1.65 -0.82 117.51 130.08 2pd6 h ILE 157 Ca -0.10 -0.31 -0.01 0.00 -1.37 0.00 0.00 64.86 63.06 2pd6 h ILE 157 Cb 1.17 1.22 -0.00 0.00 0.47 0.00 0.00 36.82 39.68 2pd6 h ILE 157 CO 0.24 0.06 -0.05 0.58 -3.07 0.00 0.00 178.15 175.91 2pd6 h VAL 158 N 0.00 1.05 0.00 2.19 2.07 -1.87 -0.86 116.25 118.84 2pd6 h VAL 158 Ca -0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2pd6 h VAL 158 Cb 0.22 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2pd6 h VAL 158 CO 0.01 0.07 0.00 1.23 0.02 0.00 0.00 177.57 178.90 2pd6 h GLY 159 N 0.23 0.00 0.27 2.17 0.00 -1.37 0.45 103.07 104.82 2pd6 h GLY 159 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.98 2pd6 h GLY 159 CO 0.01 0.00 -2.22 1.17 0.00 0.00 0.00 176.54 175.49 2pd6 n LYS 160 N -2.90 0.68 0.00 4.80 4.81 -0.38 -4.03 118.16 121.14 2pd6 n LYS 160 Ca -0.00 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 2pd6 n LYS 160 Cb 0.23 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.68 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 -2.95 0.00 0.00 3.15 0.24 -0.87 -5.14 118.33 112.76 2pd6 n VAL 161 Ca -0.31 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 2pd6 n VAL 161 Cb 1.10 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 34.47 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 0.68 -1.96 3.64 7.63 0.00 0.15 -5.04 105.19 110.30 2pd6 n GLY 162 Ca 0.00 -1.51 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.43 -0.87 0.21 1.61 2.47 -1.26 -4.79 114.94 107.88 2pd6 s ASN 163 Ca 0.00 1.42 -0.32 0.00 0.42 0.00 0.00 52.86 54.38 2pd6 s ASN 163 Cb 0.00 1.37 -0.14 0.00 -1.45 0.00 0.00 41.25 41.03 2pd6 s ASN 163 CO 0.00 -0.23 1.36 0.52 -3.72 0.00 0.00 177.10 175.03 2pd6 n VAL 164 N 4.01 0.84 -0.73 -5.21 0.31 -1.26 -1.00 118.33 115.29 2pd6 n VAL 164 Ca -0.19 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2pd6 n VAL 164 Cb 0.58 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 2pd6 n VAL 164 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pd6 n GLY 165 N 2.22 0.98 1.79 2.92 0.00 -1.26 -4.90 105.19 106.94 2pd6 n GLY 165 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 1.84 -0.31 1.61 6.02 -0.17 -1.12 117.38 123.24 2pd6 n GLN 166 Ca 0.00 -3.31 0.08 0.00 -0.01 0.00 0.00 57.00 53.76 2pd6 n GLN 166 Cb 0.00 -1.44 0.23 0.00 1.02 0.00 0.00 30.24 30.05 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 3.90 0.76 -0.37 5.09 2.02 -1.80 0.29 112.91 122.79 2pd6 h THR 167 Ca 0.01 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 2pd6 h THR 167 Cb 1.42 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2pd6 h THR 167 CO 0.28 0.13 0.03 -0.55 0.37 0.00 0.00 175.52 175.78 2pd6 h ASN 168 N 0.69 0.62 -0.21 4.18 -1.07 -1.90 -1.52 115.58 116.36 2pd6 h ASN 168 Ca 0.48 -0.28 -0.07 0.00 0.07 0.00 0.00 56.30 56.49 2pd6 h ASN 168 Cb 0.65 -0.16 -0.00 0.00 -2.07 0.00 0.00 38.32 36.73 2pd6 h ASN 168 CO -0.35 0.75 -0.15 0.22 0.07 0.00 0.00 177.43 177.96 2pd6 h TYR 169 N 0.46 0.56 -0.76 4.14 3.20 -1.68 -1.52 116.97 121.38 2pd6 h TYR 169 Ca 0.11 -0.15 0.07 0.00 3.14 0.00 0.00 58.73 61.89 2pd6 h TYR 169 Cb 0.41 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 2pd6 h TYR 169 CO 0.03 0.80 0.45 0.00 -1.64 0.00 0.00 178.16 177.79 2pd6 h ALA 170 N 0.68 1.04 -0.38 1.82 0.00 -0.49 -0.57 119.26 121.36 2pd6 h ALA 170 Ca 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2pd6 h ALA 170 Cb 0.68 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2pd6 h ALA 170 CO 0.04 0.14 0.05 0.00 0.00 0.00 0.00 179.25 179.48 2pd6 h ALA 171 N 1.39 0.50 -0.81 0.00 0.00 -1.19 -0.25 119.26 118.90 2pd6 h ALA 171 Ca 0.34 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2pd6 h ALA 171 Cb 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2pd6 h ALA 171 CO -0.19 0.22 0.34 0.66 0.00 0.00 0.00 179.25 180.28 2pd6 h SER 172 N 0.47 1.10 0.54 0.00 4.64 -0.83 -0.73 113.55 118.74 2pd6 h SER 172 Ca 0.11 -0.16 -0.26 0.00 -0.47 0.00 0.00 61.79 61.01 2pd6 h SER 172 Cb 0.38 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2pd6 h SER 172 CO 0.01 0.96 -1.13 0.11 -0.87 0.00 0.00 176.83 175.91 2pd6 h LYS 173 N 1.17 0.31 -0.79 4.77 1.79 -1.04 -1.40 116.57 121.38 2pd6 h LYS 173 Ca 0.27 -0.45 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 2pd6 h LYS 173 Cb 0.19 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.96 2pd6 h LYS 173 CO -0.03 1.17 0.44 0.00 -1.08 0.00 0.00 179.45 179.95 2pd6 h ALA 174 N 0.65 1.02 -0.59 3.86 0.00 -0.98 -2.60 119.26 120.61 2pd6 h ALA 174 Ca -0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2pd6 h ALA 174 Cb 1.83 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2pd6 h ALA 174 CO 0.19 0.53 0.27 0.78 0.00 0.00 0.00 179.25 181.02 2pd6 h GLY 175 N 1.10 0.90 1.08 0.00 0.00 -0.88 -1.44 103.07 103.83 2pd6 h GLY 175 Ca 0.28 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 2pd6 h GLY 175 CO -0.05 0.41 0.03 -2.08 0.00 0.00 0.00 176.54 174.85 2pd6 h VAL 176 N 0.84 1.27 -0.06 4.60 2.07 -1.06 -0.15 116.25 123.75 2pd6 h VAL 176 Ca 0.21 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 2pd6 h VAL 176 Cb 0.11 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2pd6 h VAL 176 CO -0.03 0.41 0.02 0.40 0.02 0.00 0.00 177.57 178.40 2pd6 h ILE 177 N 0.99 1.14 -0.47 4.57 2.04 -1.03 -0.04 117.51 124.70 2pd6 h ILE 177 Ca 0.18 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.64 2pd6 h ILE 177 Cb 0.53 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 2pd6 h ILE 177 CO 0.03 0.11 0.30 1.23 0.00 0.00 0.00 178.15 179.82 2pd6 h GLY 178 N -0.07 0.67 0.31 5.37 0.00 -1.17 -1.78 103.07 106.40 2pd6 h GLY 178 Ca 0.02 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.19 2pd6 h GLY 178 CO -0.00 0.22 0.02 -2.00 0.00 0.00 0.00 176.54 174.78 2pd6 h LEU 179 N 0.61 -0.14 -0.33 3.11 6.46 -0.96 -2.85 115.31 121.21 2pd6 h LEU 179 Ca 0.18 0.10 -0.10 0.00 -0.12 0.00 0.00 57.88 57.94 2pd6 h LEU 179 Cb -0.04 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2pd6 h LEU 179 CO -0.06 -0.04 -0.18 0.74 -0.62 0.00 0.00 178.44 178.28 2pd6 h THR 180 N 0.13 1.29 -0.50 1.05 2.02 -0.69 -0.59 112.91 115.63 2pd6 h THR 180 Ca 0.22 -1.31 0.09 0.00 0.77 0.00 0.00 66.41 66.18 2pd6 h THR 180 Cb 0.31 1.44 -0.08 0.00 -1.74 0.00 0.00 68.15 68.08 2pd6 h THR 180 CO -0.35 0.42 0.04 1.56 0.37 0.00 0.00 175.52 177.57 2pd6 h GLN 181 N 0.47 0.16 -0.29 6.66 4.20 -1.33 -0.84 115.11 124.14 2pd6 h GLN 181 Ca 0.07 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 2pd6 h GLN 181 Cb 0.73 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 2pd6 h GLN 181 CO 0.05 0.10 -0.21 1.15 -0.67 0.00 0.00 178.83 179.25 2pd6 h THR 182 N 0.16 1.30 -0.72 -0.54 2.02 -1.37 -2.51 112.91 111.24 2pd6 h THR 182 Ca 0.25 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 66.09 2pd6 h THR 182 Cb 0.37 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 2pd6 h THR 182 CO -0.38 0.43 0.48 0.00 0.37 0.00 0.00 175.52 176.42 2pd6 h ALA 183 N 0.72 0.92 -0.60 6.16 0.00 -0.90 -1.76 119.26 123.81 2pd6 h ALA 183 Ca 0.05 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2pd6 h ALA 183 Cb 0.76 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2pd6 h ALA 183 CO 0.06 0.32 0.35 0.00 0.00 0.00 0.00 179.25 179.97 2pd6 h ALA 184 N 1.27 0.79 -0.86 0.00 0.00 -1.08 0.20 119.26 119.59 2pd6 h ALA 184 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2pd6 h ALA 184 Cb -0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2pd6 h ALA 184 CO -0.07 0.05 0.44 0.00 0.00 0.00 0.00 179.25 179.67 2pd6 h ARG 185 N 0.67 1.22 0.03 0.00 -0.00 -0.93 -1.77 114.38 113.60 2pd6 h ARG 185 Ca 0.26 -0.16 -0.21 0.00 -0.50 0.00 0.00 59.98 59.36 2pd6 h ARG 185 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 29.97 29.81 2pd6 h ARG 185 CO -0.13 0.91 -0.98 0.93 0.00 0.00 0.00 179.97 180.70 2pd6 h GLU 186 N 1.21 0.10 -0.00 0.04 5.08 -0.77 -3.36 114.58 116.87 2pd6 h GLU 186 Ca 0.30 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2pd6 h GLU 186 Cb 0.08 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2pd6 h GLU 186 CO -0.04 1.00 -0.72 1.28 -1.00 0.00 0.00 179.01 179.53 2pd6 n LEU 187 N -3.50 1.15 -0.32 1.33 4.77 0.01 -4.37 117.00 116.06 2pd6 n LEU 187 Ca -0.03 -0.44 -0.03 0.00 -0.03 0.00 0.00 56.01 55.48 2pd6 n LEU 187 Cb 0.90 -0.06 0.09 0.00 -2.33 0.00 0.00 43.42 42.01 2pd6 n LEU 187 CO 0.48 0.25 1.23 1.23 -1.33 0.00 0.00 177.39 179.25 2pd6 h GLY 188 N 4.96 1.25 1.94 -0.72 0.00 -1.34 0.02 103.07 109.17 2pd6 h GLY 188 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2pd6 h GLY 188 CO 0.00 0.47 0.03 0.07 0.00 0.00 0.00 176.54 177.11 2pd6 h ARG 189 N 1.19 0.00 -0.63 4.80 0.11 -1.84 -1.65 114.38 116.37 2pd6 h ARG 189 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 2pd6 h ARG 189 Cb -0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.98 2pd6 h ARG 189 CO -0.07 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.72 2pd6 n HIS 190 N -2.94 0.84 -1.60 4.08 8.25 -0.03 -4.95 115.22 118.86 2pd6 n HIS 190 Ca -0.03 -0.42 -0.04 0.00 -0.26 0.00 0.00 57.72 56.98 2pd6 n HIS 190 Cb 0.09 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 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 1.57 0.44 3.03 -1.41 0.00 -0.62 -4.66 105.19 103.54 2pd6 n GLY 191 Ca 0.22 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.17 1.69 0.16 -0.61 1.01 -1.06 -1.74 121.20 118.49 2pd6 s ILE 192 Ca 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 2pd6 s ILE 192 Cb 0.00 -1.63 -0.07 0.00 0.01 0.00 0.00 42.46 40.77 2pd6 s ILE 192 CO 0.00 0.38 0.55 -0.13 0.00 0.00 0.00 174.94 175.74 2pd6 s ARG 193 N 1.42 3.97 -0.04 2.79 0.52 -0.39 -3.43 118.95 123.79 2pd6 s ARG 193 Ca 0.03 0.48 -0.02 0.00 -0.52 0.00 0.00 55.73 55.70 2pd6 s ARG 193 Cb -0.14 -2.90 0.03 0.00 0.52 0.00 0.00 34.95 32.46 2pd6 s ARG 193 CO -0.10 0.46 0.06 0.00 0.02 0.00 0.00 175.30 175.73 2pd6 s ASN 195 N 1.87 0.34 0.07 0.00 0.01 -0.50 0.05 114.94 116.79 2pd6 s ASN 195 Ca 0.01 -0.78 0.07 0.00 -0.71 0.00 0.00 52.86 51.45 2pd6 s ASN 195 Cb -0.12 0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.71 2pd6 s ASN 195 CO -0.03 -0.55 -0.15 -0.44 -1.51 0.00 0.00 177.10 174.42 2pd6 s SER 196 N -2.51 4.07 -0.07 -1.22 0.01 -0.21 -0.67 113.70 113.11 2pd6 s SER 196 Ca 0.01 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 56.89 2pd6 s SER 196 Cb 0.03 -0.71 -0.02 0.00 0.21 0.00 0.00 66.02 65.53 2pd6 s SER 196 CO -0.08 0.22 -0.20 -0.69 0.41 0.00 0.00 173.24 172.90 2pd6 s VAL 197 N -1.06 2.49 -0.59 3.43 1.01 -0.19 -1.71 120.40 123.78 2pd6 s VAL 197 Ca 0.17 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.29 2pd6 s VAL 197 Cb -0.11 -1.95 0.14 0.00 0.00 0.00 0.00 36.38 34.46 2pd6 s VAL 197 CO 0.09 0.57 0.34 -0.76 0.00 0.00 0.00 175.10 175.34 2pd6 s LEU 198 N -0.24 4.49 0.60 3.92 1.02 0.16 -0.57 118.68 128.06 2pd6 s LEU 198 Ca -0.00 -3.32 -0.16 0.00 0.02 0.00 0.00 54.13 50.67 2pd6 s LEU 198 Cb -0.13 -1.64 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 2pd6 s LEU 198 CO 0.03 -0.18 1.06 -2.84 0.02 0.00 0.00 176.35 174.44 2pd6 s PRO 199 N -0.71 3.29 0.00 1.29 0.02 -1.26 -1.33 135.00 136.30 2pd6 s PRO 199 Ca 0.20 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.44 2pd6 s PRO 199 Cb -0.18 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.31 2pd6 s PRO 199 CO -0.06 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.19 2pd6 n GLY 200 N -0.94 0.71 3.54 0.52 0.00 -0.47 -2.32 105.19 106.22 2pd6 n GLY 200 Ca 0.09 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 1.90 2.70 -0.16 1.61 0.40 -1.26 -4.93 117.98 118.24 2pd6 s PHE 201 Ca 0.00 0.09 -0.04 0.00 -0.60 0.00 0.00 56.93 56.38 2pd6 s PHE 201 Cb 0.00 -4.25 -0.02 0.00 0.51 0.00 0.00 43.02 39.26 2pd6 s PHE 201 CO 0.00 -1.48 -0.04 0.42 0.70 0.00 0.00 175.22 174.82 2pd6 s ILE 202 N 4.36 3.81 -0.43 0.64 -1.09 -1.26 -1.39 121.20 125.83 2pd6 s ILE 202 Ca 0.34 -0.38 -0.27 0.00 -2.23 0.00 0.00 60.65 58.11 2pd6 s ILE 202 Cb -0.11 -2.68 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 2pd6 s ILE 202 CO 0.20 0.48 1.98 0.00 -1.23 0.00 0.00 174.94 176.38 2pd6 s ALA 203 N 0.51 2.42 0.25 9.38 0.00 -0.08 -4.93 121.76 129.32 2pd6 s ALA 203 Ca -0.03 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.97 2pd6 s ALA 203 Cb -0.14 -4.17 -0.01 0.00 0.00 0.00 0.00 23.12 18.80 2pd6 s ALA 203 CO 0.03 -3.35 0.28 0.25 0.00 0.00 0.00 175.76 172.97 2pd6 n THR 204 N 7.51 0.00 0.25 0.00 -2.24 -1.26 -4.24 114.28 114.30 2pd6 n THR 204 Ca 0.26 -1.56 0.15 0.00 -2.27 0.00 0.00 64.05 60.63 2pd6 n THR 204 Cb 0.50 0.85 0.52 0.00 -2.10 0.00 0.00 70.33 70.10 2pd6 n THR 204 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2pd6 h PRO 205 N 0.00 0.00 0.38 -0.78 0.11 -1.98 -3.51 132.00 126.22 2pd6 h PRO 205 Ca -0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 2pd6 h PRO 205 Cb 0.88 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 2pd6 h PRO 205 CO 0.26 0.05 -0.31 1.98 -0.21 0.00 0.00 178.00 179.76 2pd6 h MET 206 N 0.00 -0.68 0.00 1.05 4.05 -1.96 -3.53 114.93 113.86 2pd6 h MET 206 Ca -0.00 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2pd6 h MET 206 Cb 0.68 0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.63 2pd6 h MET 206 CO 0.01 -0.45 0.00 0.36 0.23 0.00 0.00 176.91 177.05 2pd6 n LYS 217 N -5.44 0.00 -0.32 0.39 0.00 -1.26 -5.07 118.16 106.46 2pd6 n LYS 217 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.20 2pd6 n LYS 217 Cb 0.34 -0.28 0.16 0.00 -0.00 0.00 0.00 35.03 35.25 2pd6 n LYS 217 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2pd6 h ILE 218 N 0.00 1.22 0.00 0.58 2.04 -2.04 -3.03 117.51 116.28 2pd6 h ILE 218 Ca 0.00 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 2pd6 h ILE 218 Cb 0.00 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 35.96 2pd6 h ILE 218 CO 0.00 0.22 -0.14 0.71 0.00 0.00 0.00 178.15 178.94 2pd6 h THR 219 N 1.23 0.32 0.00 -0.27 1.35 -1.94 0.13 112.91 113.72 2pd6 h THR 219 Ca 0.34 -1.02 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 2pd6 h THR 219 Cb -0.12 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2pd6 h THR 219 CO -0.08 0.14 -0.04 -0.33 -0.25 0.00 0.00 175.52 174.96 2pd6 h GLU 220 N 0.00 0.00 -0.07 4.72 3.07 -1.90 -2.05 114.58 118.35 2pd6 h GLU 220 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2pd6 h GLU 220 Cb 0.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 2pd6 h GLU 220 CO 0.02 0.04 0.00 -1.33 -1.40 0.00 0.00 179.01 176.34 2pd6 n MET 221 N -4.08 1.63 -3.87 2.33 2.81 0.45 -4.76 117.12 111.64 2pd6 n MET 221 Ca -0.03 -0.92 -0.35 0.00 -1.81 0.00 0.00 57.70 54.59 2pd6 n MET 221 Cb 0.13 -1.44 -0.13 0.00 -0.71 0.00 0.00 33.22 31.06 2pd6 n MET 221 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2pd6 s ILE 222 N -1.92 3.13 0.35 2.02 1.01 -0.77 -4.34 121.20 120.68 2pd6 s ILE 222 Ca 0.36 -1.49 0.11 0.00 0.00 0.00 0.00 60.65 59.63 2pd6 s ILE 222 Cb 0.20 -2.87 0.33 0.00 0.01 0.00 0.00 42.46 40.13 2pd6 s ILE 222 CO 0.31 -0.23 1.82 -0.65 0.00 0.00 0.00 174.94 176.19 2pd6 h PRO 223 N 8.03 0.61 0.00 2.79 0.11 -1.77 0.18 132.00 141.95 2pd6 h PRO 223 Ca -0.20 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 2pd6 h PRO 223 Cb 1.06 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 2pd6 h PRO 223 CO 0.57 0.41 -0.04 0.52 -0.21 0.00 0.00 178.00 179.25 2pd6 h MET 224 N 0.63 0.00 0.00 1.05 2.86 -1.78 -3.47 114.93 114.22 2pd6 h MET 224 Ca 0.52 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.16 2pd6 h MET 224 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2pd6 h MET 224 CO -0.27 0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.14 2pd6 n GLY 225 N -0.42 0.77 3.49 8.32 0.00 0.63 -5.05 105.19 112.93 2pd6 n GLY 225 Ca -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.47 0.59 1.61 -3.43 -1.26 -4.96 115.29 105.37 2pd6 s HIS 226 Ca 0.00 0.23 -0.18 0.00 -0.80 0.00 0.00 55.06 54.31 2pd6 s HIS 226 Cb 0.00 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.69 2pd6 s HIS 226 CO 0.00 -0.86 1.15 -0.51 -2.00 0.00 0.00 174.74 172.52 2pd6 s LEU 227 N -2.74 3.65 0.65 5.38 1.43 -1.26 -4.97 118.68 120.81 2pd6 s LEU 227 Ca 0.03 2.22 -0.13 0.00 -1.03 0.00 0.00 54.13 55.22 2pd6 s LEU 227 Cb -0.02 -4.58 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 2pd6 s LEU 227 CO -0.10 -1.45 1.06 -0.83 0.23 0.00 0.00 176.35 175.26 2pd6 s GLY 228 N -1.86 1.87 0.12 -3.19 0.00 -0.49 -4.87 107.32 98.90 2pd6 s GLY 228 Ca 0.73 0.22 0.04 0.00 0.00 0.00 0.00 44.72 45.71 2pd6 s GLY 228 CO 0.32 0.53 0.13 0.99 0.00 0.00 0.00 173.10 175.07 2pd6 s ASP 229 N -3.35 5.66 0.49 1.64 1.01 -1.26 -0.90 116.67 119.95 2pd6 s ASP 229 Ca 0.60 -0.03 0.22 0.00 0.71 0.00 0.00 52.55 54.06 2pd6 s ASP 229 Cb -0.15 -1.54 1.27 0.00 1.01 0.00 0.00 42.92 43.52 2pd6 s ASP 229 CO 0.47 0.12 1.95 -0.65 0.21 0.00 0.00 175.17 177.26 2pd6 h PRO 230 N 2.78 0.16 0.00 8.23 0.11 -1.92 -0.04 132.00 141.32 2pd6 h PRO 230 Ca -0.47 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2pd6 h PRO 230 Cb 1.18 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2pd6 h PRO 230 CO 0.66 0.11 -0.23 0.93 -0.21 0.00 0.00 178.00 179.25 2pd6 h GLU 231 N 0.17 0.00 -0.72 1.05 3.07 -1.92 -1.80 114.58 114.44 2pd6 h GLU 231 Ca 0.33 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.16 2pd6 h GLU 231 Cb 1.06 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.93 2pd6 h GLU 231 CO -0.05 0.23 0.34 -0.44 -1.40 0.00 0.00 179.01 177.68 2pd6 h ASP 232 N 0.00 0.93 -0.08 1.42 3.32 -1.39 -1.16 116.42 119.45 2pd6 h ASP 232 Ca -0.00 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 2pd6 h ASP 232 Cb 0.51 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2pd6 h ASP 232 CO 0.03 0.79 -0.35 0.58 -1.72 0.00 0.00 179.24 178.57 2pd6 h VAL 233 N 1.02 1.41 -0.75 -1.35 2.07 -1.47 -3.27 116.25 113.90 2pd6 h VAL 233 Ca 0.25 -1.72 0.06 0.00 0.82 0.00 0.00 66.70 66.11 2pd6 h VAL 233 Cb 0.11 2.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 2pd6 h VAL 233 CO -0.03 0.50 0.49 0.00 0.02 0.00 0.00 177.57 178.55 2pd6 h ALA 234 N 0.45 1.66 -0.72 1.67 0.00 -1.24 -1.61 119.26 119.47 2pd6 h ALA 234 Ca -0.02 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2pd6 h ALA 234 Cb 0.99 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2pd6 h ALA 234 CO 0.07 0.22 0.41 -0.44 0.00 0.00 0.00 179.25 179.52 2pd6 h ASP 235 N 0.81 0.63 -0.42 0.00 3.32 -1.28 -0.18 116.42 119.30 2pd6 h ASP 235 Ca 0.32 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.25 2pd6 h ASP 235 Cb 0.23 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2pd6 h ASP 235 CO -0.11 0.40 -0.32 0.58 -1.72 0.00 0.00 179.24 178.08 2pd6 h VAL 236 N 0.76 1.27 -0.68 -1.35 2.07 -1.41 -2.61 116.25 114.30 2pd6 h VAL 236 Ca 0.32 -1.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.28 2pd6 h VAL 236 Cb 0.18 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2pd6 h VAL 236 CO -0.18 0.50 0.14 0.58 0.02 0.00 0.00 177.57 178.64 2pd6 h VAL 237 N 0.78 1.26 -0.87 2.57 2.07 -1.09 -1.74 116.25 119.24 2pd6 h VAL 237 Ca 0.08 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2pd6 h VAL 237 Cb 0.91 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2pd6 h VAL 237 CO 0.08 0.38 0.50 0.00 0.02 0.00 0.00 177.57 178.55 2pd6 h ALA 238 N 1.11 1.11 -0.11 1.67 0.00 -0.96 0.29 119.26 122.37 2pd6 h ALA 238 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2pd6 h ALA 238 Cb 0.40 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2pd6 h ALA 238 CO 0.01 0.60 0.07 0.35 0.00 0.00 0.00 179.25 180.28 2pd6 h PHE 239 N 1.21 0.15 0.00 0.00 3.57 -1.06 -2.37 116.94 118.43 2pd6 h PHE 239 Ca 0.31 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 2pd6 h PHE 239 Cb -0.01 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 2pd6 h PHE 239 CO 0.00 0.11 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.83 2pd6 h LEU 240 N 0.14 0.00 -0.40 0.59 3.38 -1.03 -2.48 115.31 115.51 2pd6 h LEU 240 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2pd6 h LEU 240 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2pd6 h LEU 240 CO -0.01 0.29 -0.20 0.00 0.09 0.00 0.00 178.44 178.61 2pd6 h ALA 241 N 1.71 0.90 -2.14 1.53 0.00 -0.77 -3.46 119.26 117.03 2pd6 h ALA 241 Ca -0.00 -0.18 -0.47 0.00 0.00 0.00 0.00 54.91 54.26 2pd6 h ALA 241 Cb 0.61 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.40 2pd6 h ALA 241 CO 0.04 0.25 -0.04 -1.54 0.00 0.00 0.00 179.25 177.97 2pd6 s SER 242 N -6.22 5.87 0.09 0.00 1.04 -0.91 -4.88 113.70 108.69 2pd6 s SER 242 Ca 0.04 0.43 0.09 0.00 0.48 0.00 0.00 55.95 57.00 2pd6 s SER 242 Cb 0.07 -1.67 0.45 0.00 0.10 0.00 0.00 66.02 64.97 2pd6 s SER 242 CO 0.67 -0.72 1.28 -0.62 0.98 0.00 0.00 173.24 174.83 2pd6 n GLU 243 N -2.16 0.05 0.08 4.02 -0.58 -1.26 -2.36 120.64 118.42 2pd6 n GLU 243 Ca 0.01 0.49 0.10 0.00 -0.42 0.00 0.00 57.16 57.34 2pd6 n GLU 243 Cb 0.57 -1.64 0.42 0.00 -0.57 0.00 0.00 31.44 30.23 2pd6 n GLU 243 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2pd6 n ASP 244 N -1.73 0.40 -1.08 1.62 8.00 -1.26 -2.15 116.55 120.35 2pd6 n ASP 244 Ca 0.00 0.60 -0.02 0.00 0.71 0.00 0.00 54.79 56.08 2pd6 n ASP 244 Cb 0.05 -0.68 0.20 0.00 -0.02 0.00 0.00 41.12 40.67 2pd6 n ASP 244 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2pd6 n SER 245 N -1.94 2.51 0.12 -2.24 3.41 -0.99 -4.84 113.62 109.64 2pd6 n SER 245 Ca 0.03 -3.72 0.11 0.00 -0.26 0.00 0.00 58.87 55.03 2pd6 n SER 245 Cb 0.21 -0.62 0.47 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.08 -1.17 1.16 5.00 0.00 -0.91 -0.62 105.19 107.56 2pd6 n GLY 246 Ca 0.31 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.14 1.26 -3.71 1.61 9.36 -1.26 -4.94 117.16 117.34 2pd6 n TYR 247 Ca 0.02 -0.89 -0.38 0.00 3.32 0.00 0.00 57.90 59.97 2pd6 n TYR 247 Cb 0.19 -0.38 -0.12 0.00 -0.63 0.00 0.00 39.34 38.40 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 -2.85 4.20 0.02 2.97 1.01 0.20 -5.08 121.20 121.67 2pd6 s ILE 248 Ca 0.46 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 60.28 2pd6 s ILE 248 Cb 0.37 -3.19 0.03 0.00 0.01 0.00 0.00 42.46 39.67 2pd6 s ILE 248 CO 0.10 0.02 0.35 0.28 0.00 0.00 0.00 174.94 175.70 2pd6 s THR 249 N 1.53 0.06 -1.08 2.92 -1.32 -1.26 -4.71 115.64 111.78 2pd6 s THR 249 Ca 0.03 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 2pd6 s THR 249 Cb -0.17 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2pd6 s THR 249 CO 0.04 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 2pd6 n GLY 250 N 0.83 1.16 3.77 6.08 0.00 0.11 -4.96 105.19 112.18 2pd6 n GLY 250 Ca -0.20 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.38 1.59 -0.05 2.61 -1.32 -1.26 -4.66 115.64 110.18 2pd6 s THR 251 Ca 0.00 -1.84 0.04 0.00 -1.21 0.00 0.00 61.69 58.68 2pd6 s THR 251 Cb 0.00 -2.43 -0.00 0.00 -1.51 0.00 0.00 72.50 68.56 2pd6 s THR 251 CO 0.00 0.00 -0.17 -0.94 -2.21 0.00 0.00 174.62 171.30 2pd6 s SER 252 N -3.94 2.15 -0.21 8.08 1.04 -1.26 -1.05 113.70 118.51 2pd6 s SER 252 Ca 0.22 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.27 2pd6 s SER 252 Cb 0.02 -0.65 -0.00 0.00 0.10 0.00 0.00 66.02 65.49 2pd6 s SER 252 CO 0.12 0.14 -0.08 -0.69 0.98 0.00 0.00 173.24 173.72 2pd6 s VAL 253 N 0.11 3.10 -0.00 5.02 1.01 -0.70 -4.98 120.40 123.96 2pd6 s VAL 253 Ca -0.05 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.10 2pd6 s VAL 253 Cb -0.12 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 2pd6 s VAL 253 CO 0.03 0.45 0.69 -1.61 0.00 0.00 0.00 175.10 174.66 2pd6 s GLU 254 N 1.35 4.42 -0.57 2.72 8.01 -1.26 -0.67 118.70 132.70 2pd6 s GLU 254 Ca 0.04 0.90 0.05 0.00 0.01 0.00 0.00 54.97 55.97 2pd6 s GLU 254 Cb -0.14 -3.38 0.18 0.00 -4.31 0.00 0.00 34.13 26.48 2pd6 s GLU 254 CO -0.04 0.25 0.46 0.28 0.01 0.00 0.00 175.26 176.21 2pd6 n VAL 255 N 3.07 0.45 -0.54 2.63 0.31 -0.44 -4.90 118.33 118.91 2pd6 n VAL 255 Ca -0.04 -4.29 0.00 0.00 -0.01 0.00 0.00 64.34 60.00 2pd6 n VAL 255 Cb 0.51 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 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 2.14 0.11 -1.13 2.52 -2.24 -1.26 -1.37 114.28 113.05 2pd6 n THR 256 Ca 0.25 -0.29 -0.04 0.00 -2.27 0.00 0.00 64.05 61.70 2pd6 n THR 256 Cb 0.42 1.35 -0.02 0.00 -2.10 0.00 0.00 70.33 69.98 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 -0.06 0.65 1.78 3.38 0.00 -1.26 -2.11 105.19 107.59 2pd6 n GLY 257 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.35 0.49 0.00 -0.02 0.00 -1.26 -2.06 105.19 100.99 2pd6 n GLY 258 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2pd6 n GLY 258 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22