#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p7i h PHE 23 N 0.00 -0.35 -0.79 1.20 3.57 -1.95 0.28 116.94 118.91 2p7i h PHE 23 Ca 0.00 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2p7i h PHE 23 Cb 0.00 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 2p7i h PHE 23 CO 0.00 -0.32 0.41 -0.44 -2.23 0.00 0.00 178.31 175.72 2p7i h ASP 24 N 0.01 1.01 0.42 0.41 3.32 -1.98 0.17 116.42 119.78 2p7i h ASP 24 Ca 0.38 -0.11 -0.31 0.00 0.02 0.00 0.00 57.03 57.01 2p7i h ASP 24 Cb 0.61 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2p7i h ASP 24 CO -0.78 0.83 -1.59 -0.26 -1.72 0.00 0.00 179.24 175.72 2p7i h PHE 25 N 1.10 0.41 0.00 4.55 -1.00 -1.83 -1.61 116.94 118.57 2p7i h PHE 25 Ca 0.27 -0.30 -0.27 0.00 2.81 0.00 0.00 57.97 60.48 2p7i h PHE 25 Cb 0.07 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 39.57 2p7i h PHE 25 CO 0.01 1.39 -1.66 -0.25 -1.61 0.00 0.00 178.31 176.19 2p7i n ASP 26 N -3.42 0.87 -0.63 2.17 8.00 0.93 -4.22 116.55 120.25 2p7i n ASP 26 Ca -0.18 0.41 0.06 0.00 0.71 0.00 0.00 54.79 55.79 2p7i n ASP 26 Cb 1.04 -0.02 0.18 0.00 -0.02 0.00 0.00 41.12 42.30 2p7i n ASP 26 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2p7i n VAL 27 N -3.01 1.54 0.00 2.53 0.31 0.60 -4.67 118.33 115.62 2p7i n VAL 27 Ca -0.16 -1.41 0.00 0.00 -0.01 0.00 0.00 64.34 62.76 2p7i n VAL 27 Cb 1.01 0.17 0.00 0.00 -0.91 0.00 0.00 33.84 34.11 2p7i n VAL 27 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2p7i n HIS 29 N -0.10 0.00 0.08 3.52 -0.00 -0.60 -2.74 115.22 115.37 2p7i n HIS 29 Ca 0.14 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.91 2p7i n HIS 29 Cb 0.60 0.00 0.47 0.00 -0.00 0.00 0.00 29.99 31.05 2p7i n HIS 29 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2p7i h PRO 30 N 0.00 0.38 -1.91 -0.41 0.13 -1.83 -2.25 132.00 126.10 2p7i h PRO 30 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2p7i h PRO 30 Cb 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.05 2p7i h PRO 30 CO 0.00 0.28 0.00 1.19 -0.23 0.00 0.00 178.00 179.24 2p7i n PHE 31 N -4.46 0.00 0.00 1.56 3.72 -1.11 -1.91 117.46 115.26 2p7i n PHE 31 Ca 0.01 -0.70 0.00 0.00 -0.05 0.00 0.00 57.45 56.71 2p7i n PHE 31 Cb 0.10 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 2p7i n PHE 31 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2p7i n VAL 33 N 1.51 0.00 -0.17 -4.37 0.31 -0.85 -0.93 118.33 113.82 2p7i n VAL 33 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2p7i n VAL 33 Cb 0.37 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.35 2p7i n VAL 33 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2p7i h ARG 34 N 0.00 0.56 -0.15 5.55 2.43 -1.66 -1.32 114.38 119.78 2p7i h ARG 34 Ca 0.00 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 2p7i h ARG 34 Cb 0.00 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2p7i h ARG 34 CO 0.00 0.37 -0.13 0.00 -1.51 0.00 0.00 179.97 178.70 2p7i h ALA 35 N 1.25 1.50 0.00 2.80 0.00 -1.32 -3.00 119.26 120.50 2p7i h ALA 35 Ca 0.22 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 2p7i h ALA 35 Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2p7i h ALA 35 CO -0.12 0.35 -1.07 0.74 0.00 0.00 0.00 179.25 179.16 2p7i h PHE 36 N 0.23 0.00 -0.45 0.00 0.04 -1.72 -3.40 116.94 111.64 2p7i h PHE 36 Ca 0.05 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.90 2p7i h PHE 36 Cb 0.37 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.45 2p7i h PHE 36 CO 0.01 0.92 0.02 1.15 -0.60 0.00 0.00 178.31 179.80 2p7i h THR 37 N 0.00 0.67 0.00 -1.55 2.02 -1.10 0.78 112.91 113.73 2p7i h THR 37 Ca -0.06 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2p7i h THR 37 Cb 1.76 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2p7i h THR 37 CO 0.11 0.02 0.00 -0.81 0.37 0.00 0.00 175.52 175.21 2p7i n PRO 38 N -5.19 0.03 -0.01 6.66 -0.04 -1.26 -2.38 135.00 132.82 2p7i n PRO 38 Ca 0.04 0.36 0.10 0.00 -0.04 0.00 0.00 63.50 63.97 2p7i n PRO 38 Cb 0.24 -1.58 -0.15 0.00 -0.04 0.00 0.00 33.50 31.97 2p7i n PRO 38 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2p7i n PHE 39 N -1.65 0.00 -1.65 0.54 3.72 0.23 -4.99 117.46 113.66 2p7i n PHE 39 Ca 0.02 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.97 2p7i n PHE 39 Cb 0.12 -0.28 -0.02 0.00 -0.94 0.00 0.00 39.48 38.36 2p7i n PHE 39 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2p7i n PHE 40 N -1.93 1.95 -3.49 1.38 3.72 -0.96 -4.99 117.46 113.15 2p7i n PHE 40 Ca -0.01 0.53 -0.31 0.00 -0.05 0.00 0.00 57.45 57.61 2p7i n PHE 40 Cb 0.46 -2.40 -0.05 0.00 -0.94 0.00 0.00 39.48 36.55 2p7i n PHE 40 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2p7i s ARG 41 N -0.86 3.71 0.50 -1.08 1.81 -1.26 -5.08 118.95 116.69 2p7i s ARG 41 Ca 0.65 0.11 -0.23 0.00 -1.72 0.00 0.00 55.73 54.54 2p7i s ARG 41 Cb -0.67 -2.71 -0.06 0.00 -0.45 0.00 0.00 34.95 31.06 2p7i s ARG 41 CO 0.54 0.35 1.32 -1.25 -0.68 0.00 0.00 175.30 175.58 2p7i s PRO 42 N -2.88 3.46 0.00 3.54 0.04 -1.26 -4.75 135.00 133.15 2p7i s PRO 42 Ca 0.45 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2p7i s PRO 42 Cb -0.11 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.01 2p7i s PRO 42 CO 0.24 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.77 2p7i n GLY 43 N 0.64 0.23 3.93 0.56 0.00 -1.26 -4.88 105.19 104.40 2p7i n GLY 43 Ca 0.08 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 2p7i n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p7i s ASN 44 N -4.00 4.80 -0.08 1.61 2.20 -1.26 -4.77 114.94 113.43 2p7i s ASN 44 Ca 0.00 -1.08 -0.08 0.00 -0.94 0.00 0.00 52.86 50.76 2p7i s ASN 44 Cb 0.00 0.23 0.02 0.00 -2.00 0.00 0.00 41.25 39.50 2p7i s ASN 44 CO 0.00 -1.08 0.22 -0.22 -2.94 0.00 0.00 177.10 173.08 2p7i s LEU 45 N -4.34 1.17 -0.15 3.54 0.20 -0.64 -2.48 118.68 115.97 2p7i s LEU 45 Ca 0.42 0.43 -0.00 0.00 0.69 0.00 0.00 54.13 55.67 2p7i s LEU 45 Cb -0.03 0.75 -0.01 0.00 -0.43 0.00 0.00 46.19 46.47 2p7i s LEU 45 CO 0.26 -0.08 -0.14 -0.22 -0.29 0.00 0.00 176.35 175.88 2p7i s LEU 46 N 0.10 2.58 -0.32 -0.68 2.96 -0.06 -0.71 118.68 122.55 2p7i s LEU 46 Ca -0.00 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.41 2p7i s LEU 46 Cb -0.02 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.10 2p7i s LEU 46 CO 0.00 0.10 0.12 -0.70 -1.32 0.00 0.00 176.35 174.55 2p7i s GLU 47 N 0.73 2.96 -0.24 1.98 2.12 0.60 -0.41 118.70 126.44 2p7i s GLU 47 Ca -0.06 -0.96 -0.17 0.00 0.36 0.00 0.00 54.97 54.14 2p7i s GLU 47 Cb -0.15 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 2p7i s GLU 47 CO 0.01 -0.54 0.49 -0.51 -0.54 0.00 0.00 175.26 174.17 2p7i s LEU 48 N 1.50 4.09 0.00 2.70 1.43 -0.39 -1.08 118.68 126.94 2p7i s LEU 48 Ca 0.02 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 2p7i s LEU 48 Cb -0.18 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.41 2p7i s LEU 48 CO 0.04 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.01 2p7i n GLY 49 N 4.22 0.59 0.01 -3.19 0.00 0.80 -4.58 105.19 103.05 2p7i n GLY 49 Ca -0.05 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.70 2p7i n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2p7i n SER 50 N -1.06 0.12 0.00 1.61 3.41 -1.00 -4.96 113.62 111.75 2p7i n SER 50 Ca 0.00 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2p7i n SER 50 Cb 0.46 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2p7i n SER 50 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2p7i n PHE 51 N -1.57 0.00 0.45 7.33 7.35 -1.26 -1.06 117.46 128.70 2p7i n PHE 51 Ca 0.07 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.84 2p7i n PHE 51 Cb 0.35 0.00 0.22 0.00 0.35 0.00 0.00 39.48 40.40 2p7i n PHE 51 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2p7i n LYS 52 N 14.00 2.13 -0.67 -4.13 5.02 -1.26 -3.61 118.16 129.64 2p7i n LYS 52 Ca 0.00 -1.75 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 2p7i n LYS 52 Cb 0.00 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 2p7i n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2p7i n GLY 53 N 1.28 0.71 0.21 0.72 0.00 -0.22 -3.68 105.19 104.20 2p7i n GLY 53 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 2p7i n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2p7i h ASP 54 N 0.00 0.44 0.35 1.61 3.32 -1.92 -1.75 116.42 118.48 2p7i h ASP 54 Ca 0.00 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.81 2p7i h ASP 54 Cb 0.00 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.49 2p7i h ASP 54 CO 0.00 0.31 -1.10 0.15 -1.72 0.00 0.00 179.24 176.88 2p7i h PHE 55 N 0.57 0.69 -0.98 4.55 3.57 -1.92 -3.29 116.94 120.12 2p7i h PHE 55 Ca 0.23 -0.42 0.15 0.00 3.53 0.00 0.00 57.97 61.46 2p7i h PHE 55 Cb 0.09 -0.06 -0.09 0.00 2.79 0.00 0.00 35.95 38.68 2p7i h PHE 55 CO -0.08 1.27 0.62 1.15 -2.23 0.00 0.00 178.31 179.03 2p7i h THR 56 N 0.21 0.82 -0.66 4.41 2.02 -1.79 -1.46 112.91 116.46 2p7i h THR 56 Ca -0.12 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 66.79 2p7i h THR 56 Cb 1.76 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 2p7i h THR 56 CO 0.19 0.15 0.44 0.77 0.37 0.00 0.00 175.52 177.44 2p7i h SER 57 N 0.84 0.73 -0.21 4.18 4.64 -1.39 -0.20 113.55 122.15 2p7i h SER 57 Ca 0.52 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.63 2p7i h SER 57 Cb 0.70 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2p7i h SER 57 CO -0.29 0.52 -0.60 0.03 -0.87 0.00 0.00 176.83 175.62 2p7i h ARG 58 N 0.85 0.81 -0.03 4.77 3.08 -1.43 -3.12 114.38 119.30 2p7i h ARG 58 Ca 0.25 -0.55 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 2p7i h ARG 58 Cb -0.03 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2p7i h ARG 58 CO -0.06 1.17 -0.34 -0.07 -1.07 0.00 0.00 179.97 179.60 2p7i h LEU 59 N 0.61 0.06 -2.91 3.04 3.38 -0.84 -2.53 115.31 116.11 2p7i h LEU 59 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2p7i h LEU 59 Cb 1.20 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2p7i h LEU 59 CO 0.13 0.40 -0.00 1.56 0.09 0.00 0.00 178.44 180.62 2p7i h GLN 60 N 0.05 0.00 0.00 1.13 4.20 -1.00 0.22 115.11 119.72 2p7i h GLN 60 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2p7i h GLN 60 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2p7i h GLN 60 CO 0.05 0.00 0.00 0.93 -0.67 0.00 0.00 178.83 179.14 2p7i h GLU 61 N 0.00 0.00 0.00 1.46 4.39 -1.56 -3.29 114.58 115.58 2p7i h GLU 61 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2p7i h GLU 61 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2p7i h GLU 61 CO 0.00 0.00 -1.46 0.72 -1.16 0.00 0.00 179.01 177.11 2p7i n HIS 62 N -2.36 0.00 -4.00 4.33 8.25 0.68 -5.02 115.22 117.09 2p7i n HIS 62 Ca 0.03 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.32 2p7i n HIS 62 Cb 0.29 -0.26 -0.16 0.00 1.12 0.00 0.00 29.99 30.98 2p7i n HIS 62 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2p7i s PHE 63 N -2.55 0.38 -0.49 4.41 0.08 -0.70 -5.01 117.98 114.10 2p7i s PHE 63 Ca -0.04 -0.05 0.23 0.00 0.12 0.00 0.00 56.93 57.20 2p7i s PHE 63 Cb 0.05 -0.39 0.18 0.00 -0.57 0.00 0.00 43.02 42.29 2p7i s PHE 63 CO 0.38 -0.10 1.18 -2.95 -0.10 0.00 0.00 175.22 173.63 2p7i h ASN 64 N 6.92 0.00 -4.26 1.36 7.08 -1.89 -3.40 115.58 121.39 2p7i h ASN 64 Ca -0.38 -0.16 -0.67 0.00 -3.08 0.00 0.00 56.30 52.01 2p7i h ASN 64 Cb 1.15 0.00 -0.38 0.00 -2.08 0.00 0.00 38.32 37.01 2p7i h ASN 64 CO 0.49 0.08 -0.48 -0.62 -2.08 0.00 0.00 177.43 174.82 2p7i s ASP 65 N -4.61 4.83 -0.06 6.14 -1.08 -1.26 -4.57 116.67 116.07 2p7i s ASP 65 Ca 0.03 -2.95 0.05 0.00 -0.52 0.00 0.00 52.55 49.17 2p7i s ASP 65 Cb 0.12 -1.76 -0.01 0.00 -1.46 0.00 0.00 42.92 39.81 2p7i s ASP 65 CO 0.76 -0.30 -0.23 -0.63 0.52 0.00 0.00 175.17 175.29 2p7i s ILE 66 N -0.20 2.26 -0.10 4.11 1.01 -1.05 -1.63 121.20 125.60 2p7i s ILE 66 Ca 0.17 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.85 2p7i s ILE 66 Cb -0.23 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 2p7i s ILE 66 CO -0.02 0.57 -0.16 -0.89 0.00 0.00 0.00 174.94 174.44 2p7i s THR 67 N -0.19 2.79 -0.12 2.92 2.01 0.12 -0.90 115.64 122.27 2p7i s THR 67 Ca -0.02 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.23 2p7i s THR 67 Cb -0.14 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.24 2p7i s THR 67 CO 0.03 0.55 -0.21 0.00 -0.69 0.00 0.00 174.62 174.30 2p7i s VAL 69 N 0.53 3.49 -0.14 0.00 1.01 -0.24 -0.16 120.40 124.89 2p7i s VAL 69 Ca -0.13 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 2p7i s VAL 69 Cb -0.17 -2.56 0.05 0.00 0.00 0.00 0.00 36.38 33.71 2p7i s VAL 69 CO 0.04 0.45 0.36 -0.70 0.00 0.00 0.00 175.10 175.25 2p7i s GLU 70 N 1.04 0.36 0.13 2.72 2.56 -0.70 -0.14 118.70 124.67 2p7i s GLU 70 Ca 0.01 0.63 0.08 0.00 0.00 0.00 0.00 54.97 55.69 2p7i s GLU 70 Cb -0.15 0.04 -0.17 0.00 2.00 0.00 0.00 34.13 35.85 2p7i s GLU 70 CO 0.00 -0.12 1.27 0.00 -0.56 0.00 0.00 175.26 175.85 2p7i h ALA 71 N 6.59 0.42 -2.20 6.30 0.00 -1.83 -2.49 119.26 126.05 2p7i h ALA 71 Ca -0.34 -0.88 -0.58 0.00 0.00 0.00 0.00 54.91 53.11 2p7i h ALA 71 Cb 1.18 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 2p7i h ALA 71 CO 0.31 1.18 0.62 0.45 0.00 0.00 0.00 179.25 181.81 2p7i s SER 72 N -6.64 7.02 0.18 0.00 0.15 -1.26 -4.70 113.70 108.45 2p7i s SER 72 Ca 0.01 1.27 -0.10 0.00 0.70 0.00 0.00 55.95 57.83 2p7i s SER 72 Cb 0.10 -2.50 0.07 0.00 -1.71 0.00 0.00 66.02 61.97 2p7i s SER 72 CO 0.81 -0.56 1.65 -0.08 1.20 0.00 0.00 173.24 176.25 2p7i h GLU 73 N 7.46 1.06 -0.03 5.44 4.81 -1.99 -1.57 114.58 129.76 2p7i h GLU 73 Ca -0.23 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2p7i h GLU 73 Cb 1.09 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2p7i h GLU 73 CO 0.92 1.02 -0.09 0.93 -0.73 0.00 0.00 179.01 181.06 2p7i h GLU 74 N 0.96 -0.13 -0.19 1.92 3.07 -1.99 -0.33 114.58 117.89 2p7i h GLU 74 Ca 0.18 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.04 2p7i h GLU 74 Cb 0.52 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2p7i h GLU 74 CO 0.02 -0.09 0.10 0.00 -1.40 0.00 0.00 179.01 177.65 2p7i h ALA 75 N 0.87 0.24 -0.16 3.43 0.00 -1.80 -1.70 119.26 120.14 2p7i h ALA 75 Ca 0.04 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2p7i h ALA 75 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2p7i h ALA 75 CO -0.11 -0.23 -0.32 0.97 0.00 0.00 0.00 179.25 179.55 2p7i h ILE 76 N 0.20 1.28 -0.47 0.00 2.10 -1.17 -1.20 117.51 118.24 2p7i h ILE 76 Ca 0.07 -1.34 -0.06 0.00 1.08 0.00 0.00 64.86 64.60 2p7i h ILE 76 Cb 0.06 1.51 -0.02 0.00 -1.09 0.00 0.00 36.82 37.29 2p7i h ILE 76 CO -0.01 0.41 0.06 0.28 -1.08 0.00 0.00 178.15 177.81 2p7i h SER 77 N 0.28 0.77 -0.48 2.19 0.02 -0.84 -1.90 113.55 113.59 2p7i h SER 77 Ca 0.04 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 60.73 2p7i h SER 77 Cb 0.71 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 2p7i h SER 77 CO 0.05 0.85 0.29 -0.74 -1.14 0.00 0.00 176.83 176.14 2p7i h HIS 78 N 0.66 0.55 -0.13 3.45 -0.00 -0.50 -2.12 115.15 117.07 2p7i h HIS 78 Ca 0.14 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.53 2p7i h HIS 78 Cb 0.42 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 2p7i h HIS 78 CO 0.03 0.32 0.08 0.00 -0.00 0.00 0.00 177.93 178.36 2p7i h ALA 79 N 1.20 0.16 -0.99 5.26 0.00 -1.05 -2.39 119.26 121.45 2p7i h ALA 79 Ca 0.19 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.24 2p7i h ALA 79 Cb -0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.64 2p7i h ALA 79 CO -0.08 -0.33 0.62 0.37 0.00 0.00 0.00 179.25 179.83 2p7i h GLN 80 N 0.14 0.78 -0.71 0.00 4.15 -1.20 0.33 115.11 118.60 2p7i h GLN 80 Ca 0.05 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2p7i h GLN 80 Cb 0.02 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 2p7i h GLN 80 CO -0.01 0.52 0.29 0.78 -1.93 0.00 0.00 178.83 178.48 2p7i h GLY 81 N 0.80 1.11 -0.79 2.39 0.00 -0.91 -3.34 103.07 102.34 2p7i h GLY 81 Ca 0.54 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2p7i h GLY 81 CO -0.32 0.54 -0.27 -0.96 0.00 0.00 0.00 176.54 175.54 2p7i n ARG 82 N -4.30 1.65 -3.88 4.80 -4.01 -0.09 -5.01 116.66 105.82 2p7i n ARG 82 Ca 0.06 -0.88 -0.21 0.00 -1.04 0.00 0.00 57.85 55.78 2p7i n ARG 82 Cb 0.17 -1.26 -0.02 0.00 -3.04 0.00 0.00 32.46 28.31 2p7i n ARG 82 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2p7i s LEU 83 N -1.88 4.27 0.72 2.89 1.43 -0.09 -5.09 118.68 120.94 2p7i s LEU 83 Ca 0.14 0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.20 2p7i s LEU 83 Cb 0.12 -2.87 0.04 0.00 0.03 0.00 0.00 46.19 43.51 2p7i s LEU 83 CO 0.36 -0.12 1.08 -0.54 0.23 0.00 0.00 176.35 177.35 2p7i s LYS 84 N -4.02 2.46 1.03 1.70 3.01 -1.26 -4.95 119.74 117.71 2p7i s LYS 84 Ca 0.35 0.15 -0.13 0.00 -1.01 0.00 0.00 55.97 55.33 2p7i s LYS 84 Cb -0.09 -2.06 0.15 0.00 -1.01 0.00 0.00 37.83 34.81 2p7i s LYS 84 CO 0.30 -1.20 0.72 -0.25 0.51 0.00 0.00 175.35 175.42 2p7i n ASP 85 N -3.03 -1.29 0.00 2.83 8.00 -1.26 -4.34 116.55 117.46 2p7i n ASP 85 Ca 0.07 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.73 2p7i n ASP 85 Cb 0.59 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 2p7i n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2p7i n GLY 86 N 1.09 1.11 3.17 0.44 0.00 -1.26 -5.04 105.19 104.70 2p7i n GLY 86 Ca 0.06 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2p7i n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p7i s ILE 87 N -2.00 1.83 -0.24 -0.61 1.01 -1.26 -2.53 121.20 117.40 2p7i s ILE 87 Ca 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 60.65 59.63 2p7i s ILE 87 Cb 0.00 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 2p7i s ILE 87 CO 0.00 0.51 0.31 -0.89 0.00 0.00 0.00 174.94 174.87 2p7i s THR 88 N 0.45 5.25 -0.14 2.92 2.01 -0.08 -5.01 115.64 121.04 2p7i s THR 88 Ca -0.17 0.48 -0.05 0.00 0.31 0.00 0.00 61.69 62.26 2p7i s THR 88 Cb -0.17 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 2p7i s THR 88 CO 0.07 0.25 0.02 -0.31 -0.69 0.00 0.00 174.62 173.96 2p7i s TYR 89 N 1.47 3.17 -0.25 4.92 2.02 -1.26 -0.21 117.35 127.21 2p7i s TYR 89 Ca 0.14 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.87 2p7i s TYR 89 Cb -0.15 -1.94 0.07 0.00 -0.40 0.00 0.00 41.96 39.54 2p7i s TYR 89 CO 0.08 0.22 -0.04 0.42 -1.57 0.00 0.00 175.55 174.66 2p7i s ILE 90 N -0.09 1.63 -0.63 2.71 1.01 0.77 -4.95 121.20 121.65 2p7i s ILE 90 Ca 0.04 -1.40 -0.21 0.00 0.00 0.00 0.00 60.65 59.08 2p7i s ILE 90 Cb -0.13 -1.93 0.08 0.00 0.01 0.00 0.00 42.46 40.49 2p7i s ILE 90 CO 0.02 -0.19 0.87 -2.28 0.00 0.00 0.00 174.94 173.36 2p7i s HIS 91 N 1.33 2.79 -0.12 3.97 5.65 -1.26 -1.72 115.29 125.92 2p7i s HIS 91 Ca -0.03 -0.65 -0.30 0.00 0.25 0.00 0.00 55.06 54.33 2p7i s HIS 91 Cb -0.19 -4.17 0.12 0.00 -1.18 0.00 0.00 32.58 27.16 2p7i s HIS 91 CO -0.08 -1.51 0.94 0.45 -0.65 0.00 0.00 174.74 173.90 2p7i s SER 92 N 3.59 -0.40 0.56 9.88 0.15 -0.94 -4.97 113.70 121.58 2p7i s SER 92 Ca 0.19 0.36 -0.19 0.00 0.70 0.00 0.00 55.95 57.01 2p7i s SER 92 Cb -0.19 0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 64.41 2p7i s SER 92 CO 0.09 -0.42 1.13 -0.13 1.20 0.00 0.00 173.24 175.11 2p7i s ARG 93 N -1.50 3.27 0.26 5.44 0.52 -1.26 -3.15 118.95 122.53 2p7i s ARG 93 Ca -0.01 1.59 -0.02 0.00 -0.52 0.00 0.00 55.73 56.76 2p7i s ARG 93 Cb -0.00 -2.00 0.46 0.00 0.52 0.00 0.00 34.95 33.93 2p7i s ARG 93 CO 0.01 -0.91 1.82 0.74 0.02 0.00 0.00 175.30 176.97 2p7i h PHE 94 N 1.03 0.95 0.00 -0.53 0.04 -1.97 -2.03 116.94 114.43 2p7i h PHE 94 Ca -0.50 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.29 2p7i h PHE 94 Cb 1.26 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 39.12 2p7i h PHE 94 CO 0.52 0.37 -0.07 1.05 -0.60 0.00 0.00 178.31 179.58 2p7i h GLU 95 N 0.85 0.00 0.00 1.51 4.11 -2.01 -2.77 114.58 116.27 2p7i h GLU 95 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 2p7i h GLU 95 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2p7i h GLU 95 CO -0.26 0.07 -1.06 -0.25 0.07 0.00 0.00 179.01 177.58 2p7i n ASP 96 N -3.34 0.91 -4.70 3.06 8.00 -0.87 -5.01 116.55 114.61 2p7i n ASP 96 Ca -0.01 -0.91 -0.42 0.00 0.71 0.00 0.00 54.79 54.15 2p7i n ASP 96 Cb 0.25 1.08 -0.03 0.00 -0.02 0.00 0.00 41.12 42.40 2p7i n ASP 96 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p7i s ALA 97 N -3.01 3.64 -0.42 2.24 0.00 -0.82 -4.95 121.76 118.44 2p7i s ALA 97 Ca 0.07 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 53.09 2p7i s ALA 97 Cb 0.16 -3.60 0.10 0.00 0.00 0.00 0.00 23.12 19.78 2p7i s ALA 97 CO 0.86 -0.81 0.24 -0.65 0.00 0.00 0.00 175.76 175.39 2p7i s GLN 98 N 1.74 2.30 -0.07 0.00 -1.52 -1.26 -5.06 119.66 115.79 2p7i s GLN 98 Ca 0.67 -1.68 -0.08 0.00 -1.95 0.00 0.00 55.36 52.33 2p7i s GLN 98 Cb -0.37 -3.68 -0.04 0.00 -0.22 0.00 0.00 33.01 28.69 2p7i s GLN 98 CO 0.30 -1.04 0.21 -0.51 -0.25 0.00 0.00 175.29 174.00 2p7i s LEU 99 N 1.27 4.40 0.14 2.90 1.43 -1.26 -5.00 118.68 122.57 2p7i s LEU 99 Ca 0.05 0.56 0.26 0.00 -1.03 0.00 0.00 54.13 53.97 2p7i s LEU 99 Cb -0.23 -2.30 0.94 0.00 0.03 0.00 0.00 46.19 44.63 2p7i s LEU 99 CO -0.02 0.36 1.81 -0.81 0.23 0.00 0.00 176.35 177.92 2p7i n PRO 100 N 1.73 0.17 -3.47 1.29 -0.04 -1.26 -4.90 135.00 128.52 2p7i n PRO 100 Ca -0.17 0.17 -0.12 0.00 -0.04 0.00 0.00 63.50 63.33 2p7i n PRO 100 Cb 0.54 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 32.25 2p7i n PRO 100 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2p7i n ARG 101 N -2.01 0.40 -4.34 0.54 1.85 -1.26 -5.17 116.66 106.67 2p7i n ARG 101 Ca 0.06 -2.22 -0.24 0.00 -1.00 0.00 0.00 57.85 54.45 2p7i n ARG 101 Cb 0.38 1.97 -0.08 0.00 -1.05 0.00 0.00 32.46 33.68 2p7i n ARG 101 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2p7i s ARG 102 N -2.78 2.09 -0.02 2.89 0.52 -1.26 -4.93 118.95 115.46 2p7i s ARG 102 Ca 0.25 -1.48 0.06 0.00 -0.52 0.00 0.00 55.73 54.05 2p7i s ARG 102 Cb 0.00 -2.06 -0.01 0.00 0.52 0.00 0.00 34.95 33.40 2p7i s ARG 102 CO 0.18 0.37 -0.21 0.71 0.02 0.00 0.00 175.30 176.36 2p7i s TYR 103 N -2.25 1.95 0.11 -0.53 1.51 -0.22 -4.65 117.35 113.27 2p7i s TYR 103 Ca 0.30 -0.41 0.16 0.00 -1.01 0.00 0.00 57.07 56.10 2p7i s TYR 103 Cb -0.07 -1.26 0.41 0.00 -0.11 0.00 0.00 41.96 40.93 2p7i s TYR 103 CO 0.18 -0.07 1.61 -0.44 -1.11 0.00 0.00 175.55 175.72 2p7i h ASP 104 N 5.73 0.00 -3.50 2.29 3.32 -1.89 -0.81 116.42 121.56 2p7i h ASP 104 Ca -0.38 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.34 2p7i h ASP 104 Cb 1.14 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.35 2p7i h ASP 104 CO 0.48 0.50 -0.74 0.20 -1.72 0.00 0.00 179.24 177.96 2p7i s ASN 105 N -6.53 0.31 -0.08 6.45 0.01 -1.04 -1.18 114.94 112.88 2p7i s ASN 105 Ca 0.01 0.01 0.03 0.00 -0.71 0.00 0.00 52.86 52.20 2p7i s ASN 105 Cb 0.10 -0.15 0.01 0.00 0.41 0.00 0.00 41.25 41.62 2p7i s ASN 105 CO 0.72 -0.12 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.38 2p7i s ILE 106 N 1.11 1.58 -0.16 0.60 1.01 0.36 -0.88 121.20 124.82 2p7i s ILE 106 Ca -0.09 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 2p7i s ILE 106 Cb -0.13 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 2p7i s ILE 106 CO -0.02 0.45 -0.04 -0.69 0.00 0.00 0.00 174.94 174.64 2p7i s VAL 107 N 0.55 3.85 -0.41 2.92 1.01 0.45 -0.43 120.40 128.34 2p7i s VAL 107 Ca -0.16 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.48 2p7i s VAL 107 Cb -0.17 -2.69 0.16 0.00 0.00 0.00 0.00 36.38 33.68 2p7i s VAL 107 CO 0.06 0.48 0.30 -0.22 0.00 0.00 0.00 175.10 175.72 2p7i s LEU 108 N 0.49 1.55 -0.19 3.92 2.96 -0.48 -1.26 118.68 125.68 2p7i s LEU 108 Ca -0.03 -2.79 -0.03 0.00 -0.22 0.00 0.00 54.13 51.06 2p7i s LEU 108 Cb -0.14 -0.53 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 2p7i s LEU 108 CO 0.03 -0.22 -0.05 0.28 -1.32 0.00 0.00 176.35 175.07 2p7i s THR 109 N 0.33 3.55 -1.42 3.68 -1.32 -1.26 -2.28 115.64 116.92 2p7i s THR 109 Ca 0.26 -0.45 -0.08 0.00 -1.21 0.00 0.00 61.69 60.21 2p7i s THR 109 Cb -0.08 -2.58 0.04 0.00 -1.51 0.00 0.00 72.50 68.37 2p7i s THR 109 CO -0.11 0.45 0.92 1.41 -2.21 0.00 0.00 174.62 175.08 2p7i n HIS 110 N 4.24 -2.24 0.00 9.09 8.25 0.54 -4.88 115.22 130.22 2p7i n HIS 110 Ca -0.18 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.18 2p7i n HIS 110 Cb 0.52 -4.31 0.00 0.00 1.12 0.00 0.00 29.99 27.32 2p7i n HIS 110 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2p7i n VAL 111 N -4.57 0.00 -0.10 1.59 0.31 -1.26 -4.86 118.33 109.44 2p7i n VAL 111 Ca -0.09 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.37 2p7i n VAL 111 Cb 0.59 -1.15 0.50 0.00 -0.91 0.00 0.00 33.84 32.87 2p7i n VAL 111 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2p7i h LEU 112 N 0.00 0.37 -0.35 7.52 5.85 -1.87 -0.97 115.31 125.86 2p7i h LEU 112 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2p7i h LEU 112 Cb 0.85 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2p7i h LEU 112 CO 0.00 0.22 0.00 -1.84 -0.34 0.00 0.00 178.44 176.48 2p7i n GLU 113 N -4.47 0.07 0.02 1.25 0.00 -1.26 -1.30 120.64 114.94 2p7i n GLU 113 Ca 0.11 0.38 0.11 0.00 0.00 0.00 0.00 57.16 57.76 2p7i n GLU 113 Cb 0.41 -1.66 0.06 0.00 0.00 0.00 0.00 31.44 30.25 2p7i n GLU 113 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2p7i n HIS 114 N -1.79 0.17 -3.02 -1.84 8.25 -0.37 -0.02 115.22 116.59 2p7i n HIS 114 Ca 0.02 0.05 -0.40 0.00 -0.26 0.00 0.00 57.72 57.13 2p7i n HIS 114 Cb 0.15 -0.33 -0.05 0.00 1.12 0.00 0.00 29.99 30.88 2p7i n HIS 114 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2p7i s ILE 115 N -3.12 5.03 0.25 1.59 -1.09 -0.42 -4.70 121.20 118.73 2p7i s ILE 115 Ca 0.06 1.48 -0.06 0.00 -2.23 0.00 0.00 60.65 59.90 2p7i s ILE 115 Cb 0.15 -4.06 0.22 0.00 -1.58 0.00 0.00 42.46 37.19 2p7i s ILE 115 CO 0.79 0.22 1.87 0.44 -1.23 0.00 0.00 174.94 177.03 2p7i h ASP 116 N 6.84 1.09 -2.93 3.58 5.19 -1.93 -3.32 116.42 124.93 2p7i h ASP 116 Ca -0.40 -0.09 -0.61 0.00 -0.62 0.00 0.00 57.03 55.31 2p7i h ASP 116 Cb 1.19 -0.28 -0.41 0.00 0.18 0.00 0.00 39.33 40.01 2p7i h ASP 116 CO 0.76 0.86 -0.63 -0.67 -3.12 0.00 0.00 179.24 176.45 2p7i n ASP 117 N -4.34 2.62 -0.23 6.45 -0.08 -1.26 -4.98 116.55 114.74 2p7i n ASP 117 Ca 0.09 -3.12 -0.03 0.00 -1.51 0.00 0.00 54.79 50.22 2p7i n ASP 117 Cb 0.09 -0.73 0.15 0.00 2.34 0.00 0.00 41.12 42.97 2p7i n ASP 117 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2p7i h PRO 118 N 5.32 1.04 -0.44 -0.67 0.13 -1.87 -2.53 132.00 132.99 2p7i h PRO 118 Ca 0.17 -0.16 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 2p7i h PRO 118 Cb 0.77 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 2p7i h PRO 118 CO 0.68 0.82 0.16 0.28 -0.23 0.00 0.00 178.00 179.71 2p7i h VAL 119 N 1.02 1.17 -0.67 1.56 2.07 -1.94 -1.44 116.25 118.03 2p7i h VAL 119 Ca 0.24 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 2p7i h VAL 119 Cb 0.15 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2p7i h VAL 119 CO -0.03 0.21 0.21 0.00 0.02 0.00 0.00 177.57 177.98 2p7i h ALA 120 N 1.56 1.10 -0.07 1.67 0.00 -1.85 0.70 119.26 122.36 2p7i h ALA 120 Ca 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2p7i h ALA 120 Cb 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2p7i h ALA 120 CO -0.01 0.62 -0.02 1.25 0.00 0.00 0.00 179.25 181.09 2p7i h LEU 121 N 0.99 0.13 -1.40 0.00 5.85 -1.34 -2.15 115.31 117.40 2p7i h LEU 121 Ca 0.22 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2p7i h LEU 121 Cb 0.28 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2p7i h LEU 121 CO -0.01 0.47 0.44 -0.07 -0.34 0.00 0.00 178.44 178.93 2p7i h LEU 122 N -0.21 0.67 -0.54 2.25 3.38 -1.13 -2.00 115.31 117.72 2p7i h LEU 122 Ca 0.02 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2p7i h LEU 122 Cb 0.41 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2p7i h LEU 122 CO 0.01 0.46 -0.09 0.50 0.09 0.00 0.00 178.44 179.40 2p7i h LYS 123 N 0.78 1.02 -0.71 1.13 3.64 -0.76 -0.64 116.57 121.03 2p7i h LYS 123 Ca 0.27 -0.37 0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2p7i h LYS 123 Cb 0.11 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 2p7i h LYS 123 CO -0.08 1.06 0.41 -0.09 -2.27 0.00 0.00 179.45 178.47 2p7i h ARG 124 N 0.89 0.72 -0.50 1.90 9.65 -1.04 0.98 114.38 126.98 2p7i h ARG 124 Ca 0.14 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 2p7i h ARG 124 Cb 0.66 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 2p7i h ARG 124 CO 0.05 0.48 0.33 0.82 2.80 0.00 0.00 179.97 184.44 2p7i h ILE 125 N 0.74 1.13 -0.08 1.20 2.04 -1.08 0.20 117.51 121.66 2p7i h ILE 125 Ca 0.32 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2p7i h ILE 125 Cb 0.20 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2p7i h ILE 125 CO -0.19 0.13 -0.01 -1.13 0.00 0.00 0.00 178.15 176.95 2p7i h ASN 126 N 0.68 0.14 0.60 1.72 -1.24 -0.77 -1.03 115.58 115.68 2p7i h ASN 126 Ca 0.18 -0.36 -0.28 0.00 0.71 0.00 0.00 56.30 56.56 2p7i h ASN 126 Cb -0.08 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 38.91 2p7i h ASN 126 CO -0.04 0.47 -1.45 0.44 -1.29 0.00 0.00 177.43 175.55 2p7i h ASP 127 N -0.18 0.17 0.00 1.15 3.32 -0.77 -3.41 116.42 116.70 2p7i h ASP 127 Ca 0.02 -0.25 -0.12 0.00 0.02 0.00 0.00 57.03 56.70 2p7i h ASP 127 Cb 0.40 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2p7i h ASP 127 CO 0.01 1.21 -1.46 0.47 -1.72 0.00 0.00 179.24 177.75 2p7i n ASP 128 N -3.31 3.38 -0.08 6.45 8.00 0.03 -4.91 116.55 126.11 2p7i n ASP 128 Ca -0.13 -0.02 -0.08 0.00 0.71 0.00 0.00 54.79 55.27 2p7i n ASP 128 Cb 1.02 0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 42.24 2p7i n ASP 128 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2p7i n TRP 129 N -2.51 0.00 -2.29 1.24 8.01 -1.02 -4.84 117.44 116.03 2p7i n TRP 129 Ca -0.13 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.65 2p7i n TRP 129 Cb 0.68 -0.74 -0.03 0.00 -2.01 0.00 0.00 31.31 29.21 2p7i n TRP 129 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 2p7i s LEU 130 N -5.27 4.41 0.62 -0.99 1.43 -0.41 -1.06 118.68 117.41 2p7i s LEU 130 Ca -0.10 2.28 -0.16 0.00 -1.03 0.00 0.00 54.13 55.12 2p7i s LEU 130 Cb 0.05 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 2p7i s LEU 130 CO 0.59 -0.49 1.09 0.00 0.23 0.00 0.00 176.35 177.76 2p7i s ALA 131 N 0.35 2.62 0.28 4.21 0.00 -0.31 -4.63 121.76 124.27 2p7i s ALA 131 Ca 0.57 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.73 2p7i s ALA 131 Cb -0.34 -3.28 -0.12 0.00 0.00 0.00 0.00 23.12 19.38 2p7i s ALA 131 CO 0.35 -1.00 1.56 0.39 0.00 0.00 0.00 175.76 177.05 2p7i n GLU 132 N -2.12 2.55 -0.04 0.00 -0.58 -1.26 -0.54 120.64 118.64 2p7i n GLU 132 Ca 0.10 0.91 0.00 0.00 -0.42 0.00 0.00 57.16 57.74 2p7i n GLU 132 Cb 0.52 -2.66 0.00 0.00 -0.57 0.00 0.00 31.44 28.73 2p7i n GLU 132 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p7i n GLY 133 N 2.20 2.91 3.76 0.62 0.00 -1.26 -5.00 105.19 108.41 2p7i n GLY 133 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2p7i n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2p7i s GLY 134 N -2.00 1.65 -0.02 -0.02 0.00 0.29 -5.02 107.32 102.20 2p7i s GLY 134 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.87 2p7i s GLY 134 CO 0.00 0.50 -0.15 0.50 0.00 0.00 0.00 173.10 173.95 2p7i s ARG 135 N -4.95 1.40 -0.20 2.90 0.52 -0.32 -4.22 118.95 114.09 2p7i s ARG 135 Ca 0.62 -0.54 -0.08 0.00 -0.52 0.00 0.00 55.73 55.20 2p7i s ARG 135 Cb -0.17 -1.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.96 2p7i s ARG 135 CO 0.56 0.28 0.08 -1.17 0.02 0.00 0.00 175.30 175.07 2p7i s LEU 136 N -0.16 3.88 -0.60 2.53 2.96 0.11 -0.49 118.68 126.91 2p7i s LEU 136 Ca 0.02 0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.89 2p7i s LEU 136 Cb -0.08 -1.99 0.15 0.00 0.50 0.00 0.00 46.19 44.77 2p7i s LEU 136 CO 0.00 0.15 0.52 -0.36 -1.32 0.00 0.00 176.35 175.34 2p7i s PHE 137 N 0.53 3.45 -0.27 5.38 0.40 0.42 -0.90 117.98 127.00 2p7i s PHE 137 Ca 0.04 -1.78 -0.08 0.00 -0.60 0.00 0.00 56.93 54.52 2p7i s PHE 137 Cb -0.12 -3.66 -0.01 0.00 0.51 0.00 0.00 43.02 39.73 2p7i s PHE 137 CO 0.01 -0.99 0.09 -1.17 0.70 0.00 0.00 175.22 173.86 2p7i s LEU 138 N 1.00 3.68 -0.03 -0.37 2.96 -0.67 -1.38 118.68 123.87 2p7i s LEU 138 Ca 0.09 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2p7i s LEU 138 Cb -0.23 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.56 2p7i s LEU 138 CO -0.02 -0.11 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.19 2p7i s VAL 139 N 1.58 0.36 0.02 1.68 1.01 -0.96 -0.47 120.40 123.61 2p7i s VAL 139 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 2p7i s VAL 139 Cb -0.16 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 2p7i s VAL 139 CO 0.04 0.18 0.11 0.00 0.00 0.00 0.00 175.10 175.43 2p7i s PRO 141 N -1.81 4.01 -0.25 0.00 0.02 -1.26 -1.26 135.00 134.46 2p7i s PRO 141 Ca -0.12 2.55 -0.12 0.00 0.02 0.00 0.00 61.00 63.33 2p7i s PRO 141 Cb -0.06 -2.90 -0.05 0.00 0.02 0.00 0.00 34.50 31.52 2p7i s PRO 141 CO -0.01 -0.60 0.24 1.21 -0.33 0.00 0.00 177.00 177.51 2p7i s ASN 142 N -0.22 6.17 0.39 2.53 2.47 0.03 -4.08 114.94 122.23 2p7i s ASN 142 Ca 0.55 0.18 0.12 0.00 0.42 0.00 0.00 52.86 54.13 2p7i s ASN 142 Cb -0.46 -2.15 0.93 0.00 -1.45 0.00 0.00 41.25 38.12 2p7i s ASN 142 CO 0.62 -0.02 1.89 0.00 -3.72 0.00 0.00 177.10 175.87 2p7i h ALA 143 N 7.76 1.97 -0.47 1.71 0.00 -1.04 -2.73 119.26 126.47 2p7i h ALA 143 Ca -0.36 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2p7i h ALA 143 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2p7i h ALA 143 CO 0.64 -0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.78 2p7i n ASN 144 N -4.53 2.98 -4.66 0.00 3.02 -1.26 -4.53 115.26 106.29 2p7i n ASN 144 Ca 0.16 -2.14 -0.44 0.00 -0.03 0.00 0.00 54.58 52.13 2p7i n ASN 144 Cb 0.51 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 2p7i n ASN 144 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p7i n ALA 145 N 0.82 0.85 -0.18 5.41 0.00 -1.03 -4.35 120.51 122.02 2p7i n ALA 145 Ca 0.17 0.39 -0.03 0.00 0.00 0.00 0.00 53.44 53.97 2p7i n ALA 145 Cb 0.52 -2.21 0.04 0.00 0.00 0.00 0.00 19.45 17.80 2p7i n ALA 145 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2p7i h VAL 146 N 2.68 0.33 -0.79 0.00 2.07 -1.48 0.13 116.25 119.18 2p7i h VAL 146 Ca -0.44 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.12 2p7i h VAL 146 Cb 1.29 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 2p7i h VAL 146 CO 0.68 0.00 0.52 0.77 0.02 0.00 0.00 177.57 179.56 2p7i h SER 147 N -0.08 0.80 -0.13 0.57 4.64 -1.27 -0.75 113.55 117.34 2p7i h SER 147 Ca 0.26 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.39 2p7i h SER 147 Cb 0.48 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2p7i h SER 147 CO -0.62 0.54 -0.64 -0.09 -0.87 0.00 0.00 176.83 175.15 2p7i h ARG 148 N 0.92 0.66 -0.65 4.77 2.43 -1.25 -2.03 114.38 119.23 2p7i h ARG 148 Ca 0.33 -0.54 0.02 0.00 -0.81 0.00 0.00 59.98 58.98 2p7i h ARG 148 Cb 0.13 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2p7i h ARG 148 CO -0.11 1.16 0.43 1.96 -1.51 0.00 0.00 179.97 181.90 2p7i h GLN 149 N 0.33 0.82 -0.43 0.20 4.20 -0.21 -0.13 115.11 119.89 2p7i h GLN 149 Ca -0.04 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 2p7i h GLN 149 Cb 1.28 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 2p7i h GLN 149 CO 0.13 0.54 -0.03 0.82 -0.67 0.00 0.00 178.83 179.62 2p7i h ILE 150 N 0.84 1.27 -0.72 2.54 2.04 -0.94 0.02 117.51 122.56 2p7i h ILE 150 Ca 0.25 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 65.06 2p7i h ILE 150 Cb -0.03 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2p7i h ILE 150 CO -0.06 0.37 0.47 0.00 0.00 0.00 0.00 178.15 178.93 2p7i h ALA 151 N 0.89 1.58 -0.23 1.87 0.00 -0.82 -2.18 119.26 120.37 2p7i h ALA 151 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2p7i h ALA 151 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2p7i h ALA 151 CO 0.03 0.36 -0.15 0.28 0.00 0.00 0.00 179.25 179.76 2p7i h VAL 152 N 0.88 1.31 0.00 0.00 2.07 -0.53 -1.33 116.25 118.65 2p7i h VAL 152 Ca 0.28 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2p7i h VAL 152 Cb 0.04 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2p7i h VAL 152 CO -0.08 0.39 0.00 0.29 0.02 0.00 0.00 177.57 178.19 2p7i n LYS 153 N -4.47 0.02 0.00 1.57 4.76 -0.05 -4.40 118.16 115.59 2p7i n LYS 153 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 2p7i n LYS 153 Cb 0.37 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 2p7i n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2p7i n GLY 155 N 1.77 0.50 0.24 0.72 0.00 -1.07 -5.10 105.19 102.25 2p7i n GLY 155 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2p7i n GLY 155 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2p7i h ILE 156 N 1.65 1.27 -4.30 -0.61 2.04 -1.45 -3.44 117.51 112.67 2p7i h ILE 156 Ca 0.00 -1.86 -0.69 0.00 1.00 0.00 0.00 64.86 63.31 2p7i h ILE 156 Cb 0.66 1.82 -0.27 0.00 -0.74 0.00 0.00 36.82 38.29 2p7i h ILE 156 CO 0.00 0.60 -0.83 -0.63 0.00 0.00 0.00 178.15 177.29 2p7i s ILE 157 N -3.92 2.55 0.21 -0.67 1.01 -1.17 -5.00 121.20 114.20 2p7i s ILE 157 Ca -0.11 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.54 2p7i s ILE 157 Cb 0.09 -1.95 0.16 0.00 0.01 0.00 0.00 42.46 40.78 2p7i s ILE 157 CO 0.90 0.58 1.82 0.77 0.00 0.00 0.00 174.94 179.02 2p7i h SER 158 N 5.46 1.00 -5.14 3.58 4.64 -1.90 -3.39 113.55 117.81 2p7i h SER 158 Ca -0.44 -0.11 0.12 0.00 -0.47 0.00 0.00 61.79 60.89 2p7i h SER 158 Cb 1.14 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 62.89 2p7i h SER 158 CO 0.49 0.82 0.38 -1.38 -0.87 0.00 0.00 176.83 176.27 2p7i s HIS 159 N -5.80 -0.20 0.14 4.77 0.00 -1.26 -5.01 115.29 107.93 2p7i s HIS 159 Ca -0.13 -0.14 -0.17 0.00 -3.00 0.00 0.00 55.06 51.62 2p7i s HIS 159 Cb 0.15 0.65 -0.01 0.00 -4.00 0.00 0.00 32.58 29.37 2p7i s HIS 159 CO 0.81 -0.95 1.75 -0.91 -1.00 0.00 0.00 174.74 174.44 2p7i h ASN 160 N 2.00 0.45 -0.31 7.38 2.35 -1.91 -2.08 115.58 123.46 2p7i h ASN 160 Ca -0.23 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2p7i h ASN 160 Cb 1.24 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2p7i h ASN 160 CO 0.26 0.40 0.00 -1.54 -1.65 0.00 0.00 177.43 174.90 2p7i n SER 161 N -4.77 1.78 -4.71 5.81 3.41 -1.26 -4.64 113.62 109.24 2p7i n SER 161 Ca -0.00 -2.02 -0.32 0.00 -0.26 0.00 0.00 58.87 56.26 2p7i n SER 161 Cb 0.07 -0.23 0.13 0.00 -0.26 0.00 0.00 64.21 63.91 2p7i n SER 161 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p7i s ALA 162 N -1.59 1.84 -0.23 7.33 0.00 -0.78 -4.14 121.76 124.19 2p7i s ALA 162 Ca 0.21 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 2p7i s ALA 162 Cb 0.11 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 2p7i s ALA 162 CO 0.14 -2.28 -0.04 0.08 0.00 0.00 0.00 175.76 173.67 2p7i s VAL 163 N -2.43 3.34 0.78 0.00 1.01 -1.26 -4.64 120.40 117.21 2p7i s VAL 163 Ca 0.69 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 2p7i s VAL 163 Cb -0.24 -2.56 0.06 0.00 0.00 0.00 0.00 36.38 33.64 2p7i s VAL 163 CO 0.53 0.37 1.09 0.42 0.00 0.00 0.00 175.10 177.51 2p7i s THR 164 N 1.46 3.21 0.18 3.92 -4.23 -1.26 -4.80 115.64 114.11 2p7i s THR 164 Ca 0.05 0.39 -0.13 0.00 -1.18 0.00 0.00 61.69 60.82 2p7i s THR 164 Cb -0.15 -3.12 0.08 0.00 1.34 0.00 0.00 72.50 70.65 2p7i s THR 164 CO -0.03 -0.51 1.79 -0.08 -0.54 0.00 0.00 174.62 175.24 2p7i h GLU 165 N -1.05 0.49 -0.54 3.99 4.57 -1.99 0.43 114.58 120.49 2p7i h GLU 165 Ca -0.47 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 2p7i h GLU 165 Cb 1.26 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 2p7i h GLU 165 CO 0.59 0.32 0.21 0.00 -1.18 0.00 0.00 179.01 178.95 2p7i h ALA 166 N 1.27 0.70 -0.48 2.92 0.00 -1.99 -0.46 119.26 121.22 2p7i h ALA 166 Ca 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2p7i h ALA 166 Cb 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2p7i h ALA 166 CO -0.15 0.31 0.24 0.93 0.00 0.00 0.00 179.25 180.58 2p7i h GLU 167 N 0.73 0.68 -0.91 0.00 5.08 -1.85 -1.64 114.58 116.67 2p7i h GLU 167 Ca 0.18 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2p7i h GLU 167 Cb 0.20 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2p7i h GLU 167 CO -0.01 0.56 0.60 0.35 -1.00 0.00 0.00 179.01 179.51 2p7i h PHE 168 N 0.63 1.13 -0.18 4.33 3.57 -0.70 -1.38 116.94 124.34 2p7i h PHE 168 Ca 0.17 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 2p7i h PHE 168 Cb 0.09 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 2p7i h PHE 168 CO -0.01 0.69 -0.11 0.00 -2.23 0.00 0.00 178.31 176.64 2p7i h ALA 169 N 1.45 1.48 0.00 2.41 0.00 -0.52 -1.65 119.26 122.43 2p7i h ALA 169 Ca 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2p7i h ALA 169 Cb -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2p7i h ALA 169 CO -0.09 0.37 0.00 1.58 0.00 0.00 0.00 179.25 181.11 2p7i n HIS 170 N -4.27 0.00 0.00 0.00 -0.00 -0.67 -4.92 115.22 105.36 2p7i n HIS 170 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2p7i n HIS 170 Cb 0.27 -0.37 0.00 0.00 -0.00 0.00 0.00 29.99 29.89 2p7i n HIS 170 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2p7i n GLY 171 N 0.93 0.51 3.73 1.57 0.00 -0.62 -5.08 105.19 106.24 2p7i n GLY 171 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2p7i n GLY 171 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2p7i n HIS 172 N -1.53 2.81 0.38 1.61 8.25 -0.57 -4.38 115.22 121.80 2p7i n HIS 172 Ca 0.00 0.14 0.04 0.00 -0.26 0.00 0.00 57.72 57.64 2p7i n HIS 172 Cb 0.00 -2.64 -0.04 0.00 1.12 0.00 0.00 29.99 28.43 2p7i n HIS 172 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2p7i n ARG 173 N 3.13 3.85 -3.90 -0.41 5.12 0.97 -4.19 116.66 121.24 2p7i n ARG 173 Ca 0.13 -0.12 -0.08 0.00 -1.93 0.00 0.00 57.85 55.85 2p7i n ARG 173 Cb 0.36 -0.92 -0.03 0.00 -1.16 0.00 0.00 32.46 30.71 2p7i n ARG 173 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2p7i s THR 175 N -3.94 1.32 0.56 0.00 2.01 -1.26 -4.85 115.64 109.49 2p7i s THR 175 Ca 0.15 -1.89 -0.19 0.00 0.31 0.00 0.00 61.69 60.06 2p7i s THR 175 Cb -0.04 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 2p7i s THR 175 CO 0.08 -0.71 1.18 -0.31 -0.69 0.00 0.00 174.62 174.17 2p7i s TYR 176 N 1.15 2.53 0.44 4.92 2.02 -1.26 -4.57 117.35 122.58 2p7i s TYR 176 Ca 0.12 1.52 0.03 0.00 -0.37 0.00 0.00 57.07 58.37 2p7i s TYR 176 Cb -0.19 -3.42 -0.04 0.00 -0.40 0.00 0.00 41.96 37.91 2p7i s TYR 176 CO -0.16 -1.95 0.04 0.00 -1.57 0.00 0.00 175.55 171.92 2p7i s ALA 177 N -1.64 3.39 0.37 3.71 0.00 -1.26 -0.50 121.76 125.83 2p7i s ALA 177 Ca 0.74 -1.20 0.13 0.00 0.00 0.00 0.00 51.96 51.63 2p7i s ALA 177 Cb -0.28 0.32 0.96 0.00 0.00 0.00 0.00 23.12 24.11 2p7i s ALA 177 CO 0.31 -0.16 1.82 -0.07 0.00 0.00 0.00 175.76 177.66 2p7i h LEU 178 N 1.65 0.56 -0.00 0.00 3.38 -1.96 -0.50 115.31 118.43 2p7i h LEU 178 Ca -0.41 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 2p7i h LEU 178 Cb 1.28 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2p7i h LEU 178 CO 0.71 0.20 -0.00 -2.24 0.09 0.00 0.00 178.44 177.20 2p7i h ASP 179 N 0.54 0.00 0.19 -0.43 2.03 -1.99 -2.23 116.42 114.53 2p7i h ASP 179 Ca 0.53 -0.38 -0.19 0.00 -0.73 0.00 0.00 57.03 56.26 2p7i h ASP 179 Cb 1.11 -0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.61 2p7i h ASP 179 CO -0.26 0.38 -0.75 0.71 -1.03 0.00 0.00 179.24 178.28 2p7i h THR 180 N -0.37 1.36 -0.30 1.15 1.35 -1.90 -1.78 112.91 112.43 2p7i h THR 180 Ca 0.00 -2.12 -0.03 0.00 -0.55 0.00 0.00 66.41 63.70 2p7i h THR 180 Cb 0.38 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 2p7i h THR 180 CO 0.00 0.64 0.06 0.25 -0.25 0.00 0.00 175.52 176.23 2p7i h LEU 181 N 0.32 0.46 -0.81 3.87 5.85 -1.15 -1.82 115.31 122.03 2p7i h LEU 181 Ca -0.04 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 2p7i h LEU 181 Cb 1.34 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2p7i h LEU 181 CO 0.13 0.59 -0.22 -0.08 -0.34 0.00 0.00 178.44 178.52 2p7i h GLU 182 N 0.32 0.65 -0.04 1.25 4.81 -1.42 -1.68 114.58 118.46 2p7i h GLU 182 Ca 0.09 -0.25 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2p7i h GLU 182 Cb 0.31 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 2p7i h GLU 182 CO 0.00 0.82 -0.20 -0.09 -0.73 0.00 0.00 179.01 178.81 2p7i h ARG 183 N 0.57 -0.28 -0.74 1.92 2.43 -1.22 -0.08 114.38 116.98 2p7i h ARG 183 Ca 0.08 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2p7i h ARG 183 Cb 0.69 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 2p7i h ARG 183 CO 0.05 -0.19 0.25 -0.44 -1.51 0.00 0.00 179.97 178.13 2p7i h ASP 184 N -0.30 1.05 -0.57 -3.80 5.19 -1.18 -0.26 116.42 116.56 2p7i h ASP 184 Ca 0.07 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.28 2p7i h ASP 184 Cb 0.39 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.60 2p7i h ASP 184 CO -0.21 0.96 0.29 0.00 -3.12 0.00 0.00 179.24 177.16 2p7i h ALA 185 N 1.18 0.74 -0.63 3.45 0.00 -1.15 -2.21 119.26 120.63 2p7i h ALA 185 Ca 0.24 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2p7i h ALA 185 Cb 0.27 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2p7i h ALA 185 CO -0.01 0.28 0.16 0.77 0.00 0.00 0.00 179.25 180.45 2p7i h SER 186 N 0.78 0.95 0.10 0.00 0.02 -0.81 -1.88 113.55 112.71 2p7i h SER 186 Ca 0.20 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2p7i h SER 186 Cb 0.09 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2p7i h SER 186 CO -0.03 0.94 -0.12 0.03 -1.14 0.00 0.00 176.83 176.51 2p7i h ARG 187 N 0.93 0.04 0.00 3.45 3.08 -0.84 -1.80 114.38 119.24 2p7i h ARG 187 Ca 0.20 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2p7i h ARG 187 Cb 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2p7i h ARG 187 CO 0.00 0.17 0.00 0.00 -1.07 0.00 0.00 179.97 179.07 2p7i n ALA 188 N -2.51 1.99 -0.10 0.04 0.00 -0.85 -4.90 120.51 114.17 2p7i n ALA 188 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2p7i n ALA 188 Cb 0.20 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2p7i n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p7i n GLY 189 N 0.70 0.80 3.81 0.00 0.00 -0.68 -4.35 105.19 105.47 2p7i n GLY 189 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2p7i n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p7i s LEU 190 N 0.00 3.29 -0.32 0.99 1.43 -0.75 -2.91 118.68 120.40 2p7i s LEU 190 Ca 0.00 1.72 -0.13 0.00 -1.03 0.00 0.00 54.13 54.69 2p7i s LEU 190 Cb 0.00 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 2p7i s LEU 190 CO 0.00 -1.36 0.26 -1.58 0.23 0.00 0.00 176.35 173.90 2p7i s GLN 191 N -4.60 3.65 -0.34 1.70 0.74 0.72 -4.44 119.66 117.10 2p7i s GLN 191 Ca 0.61 -0.49 -0.22 0.00 0.05 0.00 0.00 55.36 55.31 2p7i s GLN 191 Cb -0.15 -3.76 0.00 0.00 1.10 0.00 0.00 33.01 30.20 2p7i s GLN 191 CO 0.47 -0.39 0.74 0.08 -0.55 0.00 0.00 175.29 175.64 2p7i s VAL 192 N 1.81 4.81 -0.21 1.34 1.01 -1.26 -0.65 120.40 127.24 2p7i s VAL 192 Ca 0.08 0.92 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 2p7i s VAL 192 Cb -0.17 -4.14 -0.20 0.00 0.00 0.00 0.00 36.38 31.87 2p7i s VAL 192 CO 0.11 -0.31 -0.00 0.41 0.00 0.00 0.00 175.10 175.30 2p7i n THR 193 N 5.62 1.60 -3.89 3.92 -1.04 0.44 -4.98 114.28 115.95 2p7i n THR 193 Ca 0.02 -0.59 -0.11 0.00 -2.04 0.00 0.00 64.05 61.33 2p7i n THR 193 Cb 0.48 -1.56 -0.13 0.00 -1.82 0.00 0.00 70.33 67.30 2p7i n THR 193 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2p7i s TYR 194 N -2.53 0.04 -0.09 -1.42 2.02 -0.82 -5.00 117.35 109.55 2p7i s TYR 194 Ca -0.30 -0.07 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 2p7i s TYR 194 Cb 0.08 -0.03 -0.00 0.00 -0.40 0.00 0.00 41.96 41.61 2p7i s TYR 194 CO 0.66 -0.05 -0.23 1.03 -1.57 0.00 0.00 175.55 175.39 2p7i s ARG 195 N -0.30 2.84 0.38 -0.62 0.52 -1.26 -0.92 118.95 119.60 2p7i s ARG 195 Ca -0.03 -0.85 -0.08 0.00 -0.52 0.00 0.00 55.73 54.25 2p7i s ARG 195 Cb -0.02 -2.20 0.03 0.00 0.52 0.00 0.00 34.95 33.28 2p7i s ARG 195 CO -0.00 0.21 0.64 0.45 0.02 0.00 0.00 175.30 176.62 2p7i s SER 196 N 0.25 0.61 0.11 0.23 0.15 0.25 -5.02 113.70 110.28 2p7i s SER 196 Ca -0.15 -1.40 0.05 0.00 0.70 0.00 0.00 55.95 55.14 2p7i s SER 196 Cb -0.17 0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 2p7i s SER 196 CO 0.07 -1.53 -0.12 -0.83 1.20 0.00 0.00 173.24 172.04 2p7i s GLY 197 N -3.19 0.97 -0.21 9.45 0.00 -1.26 -0.93 107.32 112.15 2p7i s GLY 197 Ca 0.24 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2p7i s GLY 197 CO 0.17 -1.32 -0.07 -0.42 0.00 0.00 0.00 173.10 171.47 2p7i s ILE 198 N -2.32 1.46 0.00 0.90 1.01 -0.01 -4.25 121.20 117.99 2p7i s ILE 198 Ca 0.08 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2p7i s ILE 198 Cb -0.04 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.78 2p7i s ILE 198 CO 0.02 0.03 0.00 0.33 0.00 0.00 0.00 174.94 175.32 2p7i n PHE 199 N 4.72 -0.27 -2.23 3.97 7.35 -1.26 -2.65 117.46 127.09 2p7i n PHE 199 Ca -0.13 0.16 -0.43 0.00 -0.76 0.00 0.00 57.45 56.29 2p7i n PHE 199 Cb 0.46 -2.10 -0.02 0.00 0.35 0.00 0.00 39.48 38.16 2p7i n PHE 199 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 2p7i s PHE 200 N -0.03 2.22 -0.31 -5.13 2.19 -0.28 0.13 117.98 116.76 2p7i s PHE 200 Ca 0.00 0.66 0.01 0.00 0.33 0.00 0.00 56.93 57.93 2p7i s PHE 200 Cb 0.00 -4.21 0.07 0.00 -1.31 0.00 0.00 43.02 37.58 2p7i s PHE 200 CO 0.00 -2.33 0.01 0.21 1.83 0.00 0.00 175.22 174.93 2p7i s LYS 201 N 5.08 2.06 0.00 10.12 2.20 -1.26 -4.86 119.74 133.07 2p7i s LYS 201 Ca 0.67 -1.53 0.18 0.00 -0.36 0.00 0.00 55.97 54.93 2p7i s LYS 201 Cb -0.17 -3.15 -0.08 0.00 -1.51 0.00 0.00 37.83 32.92 2p7i s LYS 201 CO 0.32 -0.75 0.86 0.00 -0.36 0.00 0.00 175.35 175.42 2p7i n ALA 202 N 4.46 3.69 -2.44 3.13 0.00 -1.26 -1.04 120.51 127.05 2p7i n ALA 202 Ca -0.07 -0.54 -0.28 0.00 0.00 0.00 0.00 53.44 52.54 2p7i n ALA 202 Cb 0.42 -0.64 -0.12 0.00 0.00 0.00 0.00 19.45 19.11 2p7i n ALA 202 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2p7i s LEU 203 N -2.44 2.50 0.62 0.00 1.02 -1.26 -4.29 118.68 114.83 2p7i s LEU 203 Ca 0.12 -0.71 -0.11 0.00 0.02 0.00 0.00 54.13 53.45 2p7i s LEU 203 Cb 0.14 -1.34 -0.04 0.00 0.02 0.00 0.00 46.19 44.98 2p7i s LEU 203 CO 0.56 0.16 1.03 0.00 0.02 0.00 0.00 176.35 178.12 2p7i s ALA 204 N -1.27 3.03 0.24 4.21 0.00 -1.26 -4.77 121.76 121.95 2p7i s ALA 204 Ca 0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.05 2p7i s ALA 204 Cb -0.10 -3.10 0.44 0.00 0.00 0.00 0.00 23.12 20.36 2p7i s ALA 204 CO 0.09 -0.73 1.72 -0.91 0.00 0.00 0.00 175.76 175.93 2p7i h ASN 205 N -0.27 0.22 -0.27 0.00 4.21 -2.00 0.82 115.58 118.29 2p7i h ASN 205 Ca -0.44 0.11 0.01 0.00 1.21 0.00 0.00 56.30 57.19 2p7i h ASN 205 Cb 1.19 0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 38.48 2p7i h ASN 205 CO 0.61 0.08 0.18 2.19 -1.29 0.00 0.00 177.43 179.20 2p7i h PHE 206 N 0.41 0.32 0.06 1.19 -0.00 -1.99 0.24 116.94 117.17 2p7i h PHE 206 Ca 0.40 0.01 -0.28 0.00 -0.00 0.00 0.00 57.97 58.10 2p7i h PHE 206 Cb 0.62 -0.11 0.03 0.00 -0.00 0.00 0.00 35.95 36.48 2p7i h PHE 206 CO -0.18 0.20 -1.14 1.96 -0.00 0.00 0.00 178.31 179.15 2p7i h GLN 207 N 0.35 0.67 0.25 6.09 4.20 -1.36 -2.82 115.11 122.48 2p7i h GLN 207 Ca 0.10 -0.80 -0.01 0.00 0.06 0.00 0.00 58.65 58.00 2p7i h GLN 207 Cb -0.02 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2p7i h GLN 207 CO -0.02 1.36 -0.12 -1.49 -0.67 0.00 0.00 178.83 177.89 2p7i h TRP 208 N 0.34 -0.31 -0.97 2.96 4.06 -0.27 0.22 115.95 121.99 2p7i h TRP 208 Ca -0.16 -0.01 0.13 0.00 2.06 0.00 0.00 58.89 60.91 2p7i h TRP 208 Cb 1.81 0.10 -0.08 0.00 -1.00 0.00 0.00 29.16 29.99 2p7i h TRP 208 CO 0.11 -0.17 0.61 -0.44 -3.56 0.00 0.00 178.44 174.99 2p7i h ASP 209 N -0.35 0.84 0.39 -3.49 3.32 -0.63 1.26 116.42 117.75 2p7i h ASP 209 Ca -0.03 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2p7i h ASP 209 Cb 0.27 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2p7i h ASP 209 CO 0.06 0.44 -0.19 1.56 -1.72 0.00 0.00 179.24 179.39 2p7i h GLN 210 N 0.90 -0.51 0.00 3.56 7.50 -1.34 -3.23 115.11 121.99 2p7i h GLN 210 Ca 0.48 0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.62 2p7i h GLN 210 Cb 0.56 0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.20 2p7i h GLN 210 CO -0.25 -0.19 -0.21 0.97 -1.50 0.00 0.00 178.83 177.65 2p7i h ILE 211 N -0.89 1.13 0.00 2.54 2.10 0.92 -1.58 117.51 121.72 2p7i h ILE 211 Ca -0.05 -0.73 -0.03 0.00 1.08 0.00 0.00 64.86 65.13 2p7i h ILE 211 Cb 0.55 1.39 -0.00 0.00 -1.09 0.00 0.00 36.82 37.67 2p7i h ILE 211 CO 0.09 0.21 -0.13 -0.07 -1.08 0.00 0.00 178.15 177.17 2p7i h LEU 212 N 0.00 0.00 -0.85 2.19 3.38 0.14 -1.39 115.31 118.78 2p7i h LEU 212 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2p7i h LEU 212 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2p7i h LEU 212 CO 0.03 0.13 -0.37 1.56 0.09 0.00 0.00 178.44 179.88 2p7i h GLN 213 N 0.00 0.00 -7.39 1.13 4.20 -1.30 -3.45 115.11 108.30 2p7i h GLN 213 Ca -0.00 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.25 2p7i h GLN 213 Cb 0.37 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.26 2p7i h GLN 213 CO 0.02 0.37 0.23 0.95 -0.67 0.00 0.00 178.83 179.72 2p7i s THR 214 N -3.53 2.03 -0.37 -0.54 -4.23 -0.53 -5.01 115.64 103.46 2p7i s THR 214 Ca 0.01 -0.39 0.06 0.00 -1.18 0.00 0.00 61.69 60.19 2p7i s THR 214 Cb 0.10 -2.64 0.51 0.00 1.34 0.00 0.00 72.50 71.82 2p7i s THR 214 CO 0.69 0.00 1.57 -0.90 -0.54 0.00 0.00 174.62 175.43 2p7i n ASP 215 N -3.23 3.78 0.09 3.99 5.75 -1.26 -4.66 116.55 121.01 2p7i n ASP 215 Ca 0.16 -3.77 -0.17 0.00 -0.01 0.00 0.00 54.79 51.00 2p7i n ASP 215 Cb 0.60 -0.67 -0.11 0.00 -1.03 0.00 0.00 41.12 39.92 2p7i n ASP 215 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 2p7i h ILE 216 N 1.19 1.40 -3.57 2.12 2.04 -1.95 -3.44 117.51 115.29 2p7i h ILE 216 Ca 0.36 -2.69 -0.67 0.00 1.00 0.00 0.00 64.86 62.86 2p7i h ILE 216 Cb 1.68 2.72 -0.27 0.00 -0.74 0.00 0.00 36.82 40.21 2p7i h ILE 216 CO 0.72 0.80 -0.79 -0.76 0.00 0.00 0.00 178.15 178.12 2p7i s LEU 217 N -7.54 2.57 0.59 1.44 1.43 -1.26 -5.13 118.68 110.79 2p7i s LEU 217 Ca -0.06 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2p7i s LEU 217 Cb 0.07 -1.55 0.06 0.00 0.03 0.00 0.00 46.19 44.81 2p7i s LEU 217 CO 0.89 0.22 0.83 -0.94 0.23 0.00 0.00 176.35 177.58 2p7i s SER 218 N 0.03 5.02 0.35 2.29 1.04 -1.26 -4.98 113.70 116.19 2p7i s SER 218 Ca -0.06 -0.18 0.09 0.00 0.48 0.00 0.00 55.95 56.28 2p7i s SER 218 Cb -0.15 -0.55 0.66 0.00 0.10 0.00 0.00 66.02 66.09 2p7i s SER 218 CO 0.05 -1.34 1.83 0.07 0.98 0.00 0.00 173.24 174.82 2p7i h LYS 219 N -0.07 0.20 -0.44 4.02 2.10 -2.00 -2.38 116.57 118.01 2p7i h LYS 219 Ca -0.40 -0.07 -0.10 0.00 -2.00 0.00 0.00 60.65 58.09 2p7i h LYS 219 Cb 1.29 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.58 2p7i h LYS 219 CO 0.48 0.46 -0.13 0.93 -2.00 0.00 0.00 179.45 179.18 2p7i h GLU 220 N 0.19 0.81 -0.51 0.07 3.07 -1.99 -0.45 114.58 115.77 2p7i h GLU 220 Ca 0.03 -0.29 0.04 0.00 -0.50 0.00 0.00 59.36 58.65 2p7i h GLU 220 Cb 0.56 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.37 2p7i h GLU 220 CO 0.04 0.90 0.26 -0.92 -1.40 0.00 0.00 179.01 177.90 2p7i h TYR 221 N 0.73 0.49 -0.28 4.33 3.20 -1.82 0.43 116.97 124.04 2p7i h TYR 221 Ca 0.12 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 2p7i h TYR 221 Cb 0.63 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 2p7i h TYR 221 CO 0.03 0.24 0.08 -0.07 -1.64 0.00 0.00 178.16 176.81 2p7i h LEU 222 N 0.51 0.40 -0.66 2.82 3.38 -0.96 -0.43 115.31 120.37 2p7i h LEU 222 Ca 0.22 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2p7i h LEU 222 Cb 0.13 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 2p7i h LEU 222 CO -0.15 0.50 0.27 0.44 0.09 0.00 0.00 178.44 179.59 2p7i h ASP 223 N 0.28 0.29 -0.95 -0.43 3.32 -0.88 -0.46 116.42 117.60 2p7i h ASP 223 Ca 0.09 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.26 2p7i h ASP 223 Cb 0.25 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 2p7i h ASP 223 CO -0.00 0.16 0.61 1.23 -1.72 0.00 0.00 179.24 179.52 2p7i h GLY 224 N 0.46 1.40 1.53 2.75 0.00 -0.26 0.67 103.07 109.62 2p7i h GLY 224 Ca 0.34 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 2p7i h GLY 224 CO -0.32 0.37 -0.11 0.00 0.00 0.00 0.00 176.54 176.49 2p7i h TYR 226 N 0.53 0.33 -0.25 0.00 3.20 -0.32 -0.46 116.97 120.00 2p7i h TYR 226 Ca 0.10 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2p7i h TYR 226 Cb 0.50 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2p7i h TYR 226 CO 0.02 0.61 0.16 1.96 -1.64 0.00 0.00 178.16 179.27 2p7i h GLN 227 N -0.04 0.33 -0.39 1.82 4.20 -0.73 -2.83 115.11 117.47 2p7i h GLN 227 Ca 0.03 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 2p7i h GLN 227 Cb 0.52 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2p7i h GLN 227 CO 0.02 0.23 -0.07 1.25 -0.67 0.00 0.00 178.83 179.59 2p7i h LEU 228 N 0.33 0.64 -1.08 1.46 5.85 -1.07 -2.99 115.31 118.44 2p7i h LEU 228 Ca 0.09 -0.17 0.20 0.00 0.84 0.00 0.00 57.88 58.84 2p7i h LEU 228 Cb -0.02 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 40.74 2p7i h LEU 228 CO -0.02 0.76 0.61 1.23 -0.34 0.00 0.00 178.44 180.68 2p7i h GLY 229 N 0.95 1.67 2.00 3.75 0.00 -1.03 0.10 103.07 110.51 2p7i h GLY 229 Ca 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2p7i h GLY 229 CO 0.03 -0.07 -0.09 1.46 0.00 0.00 0.00 176.54 177.86 2p7i h GLN 230 N 0.70 0.00 0.00 4.80 4.20 -1.47 -1.49 115.11 121.85 2p7i h GLN 230 Ca 0.57 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.28 2p7i h GLN 230 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2p7i h GLN 230 CO -0.36 0.09 -0.58 1.96 -0.67 0.00 0.00 178.83 179.28 2p7i h GLN 231 N 0.00 0.00 -2.09 1.46 4.20 -1.10 -3.38 115.11 114.20 2p7i h GLN 231 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 2p7i h GLN 231 Cb 0.27 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.64 2p7i h GLN 231 CO 0.01 0.00 -0.93 0.66 -0.67 0.00 0.00 178.83 177.90 2p7i n TYR 232 N -2.22 1.46 -0.35 2.96 4.01 -0.59 -4.99 117.16 117.45 2p7i n TYR 232 Ca 0.03 -3.84 0.13 0.00 -0.16 0.00 0.00 57.90 54.06 2p7i n TYR 232 Cb 0.45 -0.44 0.33 0.00 -0.31 0.00 0.00 39.34 39.37 2p7i n TYR 232 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2p7i h PRO 233 N 3.65 0.75 0.00 -0.72 0.11 -1.67 -0.33 132.00 133.79 2p7i h PRO 233 Ca 0.12 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2p7i h PRO 233 Cb 0.79 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.73 2p7i h PRO 233 CO 0.62 0.49 0.00 0.22 -0.21 0.00 0.00 178.00 179.12 2p7i h ASP 234 N 0.77 0.00 -0.36 -2.05 3.58 -1.91 -2.77 116.42 113.67 2p7i h ASP 234 Ca 0.56 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.01 2p7i h ASP 234 Cb 0.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2p7i h ASP 234 CO -0.35 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.19 2p7i n LEU 235 N -2.67 3.24 -4.89 2.28 4.77 -0.13 -4.06 117.00 115.54 2p7i n LEU 235 Ca -0.01 -1.56 -0.30 0.00 -0.03 0.00 0.00 56.01 54.11 2p7i n LEU 235 Cb 0.15 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 2p7i n LEU 235 CO 0.19 0.72 0.71 0.00 -1.33 0.00 0.00 177.39 177.68 2p7i h ALA 237 N -0.55 0.17 -3.63 0.00 0.00 -0.18 -3.34 119.26 111.73 2p7i h ALA 237 Ca -0.45 0.06 -0.45 0.00 0.00 0.00 0.00 54.91 54.06 2p7i h ALA 237 Cb 1.25 0.10 -0.23 0.00 0.00 0.00 0.00 17.79 18.91 2p7i h ALA 237 CO 0.63 -0.44 -0.79 -1.12 0.00 0.00 0.00 179.25 177.53 2p7i s SER 238 N -5.23 1.83 0.09 0.00 0.01 -1.08 -0.79 113.70 108.52 2p7i s SER 238 Ca -0.13 -0.55 0.04 0.00 1.31 0.00 0.00 55.95 56.62 2p7i s SER 238 Cb 0.10 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 2p7i s SER 238 CO 0.69 0.00 0.03 0.27 0.41 0.00 0.00 173.24 174.64 2p7i s ILE 239 N -1.05 4.17 -0.11 1.44 -4.36 -0.39 -0.83 121.20 120.07 2p7i s ILE 239 Ca 0.01 -0.95 -0.02 0.00 -0.26 0.00 0.00 60.65 59.43 2p7i s ILE 239 Cb -0.09 -3.01 0.04 0.00 1.25 0.00 0.00 42.46 40.65 2p7i s ILE 239 CO 0.02 0.10 0.02 0.12 0.24 0.00 0.00 174.94 175.44 2p7i s PHE 240 N -1.37 0.71 -0.22 1.37 5.36 -0.11 -1.97 117.98 121.75 2p7i s PHE 240 Ca 0.27 -0.34 -0.07 0.00 -0.96 0.00 0.00 56.93 55.84 2p7i s PHE 240 Cb -0.12 -0.84 -0.03 0.00 -0.34 0.00 0.00 43.02 41.69 2p7i s PHE 240 CO 0.20 -0.41 0.05 -0.51 -1.46 0.00 0.00 175.22 173.09 2p7i s LEU 241 N 1.96 3.46 -0.32 6.12 1.43 0.38 -0.58 118.68 131.12 2p7i s LEU 241 Ca 0.03 -0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 52.77 2p7i s LEU 241 Cb -0.14 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 2p7i s LEU 241 CO -0.06 0.04 0.72 -0.22 0.23 0.00 0.00 176.35 177.06 2p7i s LEU 242 N 1.17 4.13 0.23 1.79 2.96 -0.10 -1.66 118.68 127.20 2p7i s LEU 242 Ca 0.04 0.50 0.11 0.00 -0.22 0.00 0.00 54.13 54.56 2p7i s LEU 242 Cb -0.14 -2.96 -0.05 0.00 0.50 0.00 0.00 46.19 43.54 2p7i s LEU 242 CO 0.03 -0.58 -0.18 0.00 -1.32 0.00 0.00 176.35 174.30 2p7i s GLU 244 N -3.06 1.48 0.27 0.00 2.02 0.17 -0.71 118.70 118.86 2p7i s GLU 244 Ca 0.26 -1.77 -0.30 0.00 0.02 0.00 0.00 54.97 53.18 2p7i s GLU 244 Cb -0.07 -0.86 -0.10 0.00 0.10 0.00 0.00 34.13 33.19 2p7i s GLU 244 CO 0.13 -0.07 1.44 0.21 0.02 0.00 0.00 175.26 176.99 2p7i s LYS 245 N -3.82 4.26 0.00 1.61 2.20 -1.26 -0.20 119.74 122.53 2p7i s LYS 245 Ca 0.31 2.33 0.29 0.00 -0.36 0.00 0.00 55.97 58.53 2p7i s LYS 245 Cb 0.06 -3.09 1.25 0.00 -1.51 0.00 0.00 37.83 34.54 2p7i s LYS 245 CO 0.11 -0.42 1.86 0.41 -0.36 0.00 0.00 175.35 176.96