#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppf s VAL 17 N 0.00 5.29 0.00 1.39 1.01 0.85 -4.18 120.40 124.77 1ppf s VAL 17 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1ppf s VAL 17 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1ppf s VAL 17 CO 0.00 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1ppf n GLY 18 N 3.60 0.52 0.00 4.51 0.00 -1.26 -2.05 105.19 110.50 1ppf n GLY 18 Ca -0.12 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1ppf n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ppf n GLY 19 N -2.86 3.28 3.20 -0.02 0.00 -1.26 -4.92 105.19 102.62 1ppf n GLY 19 Ca 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 1ppf n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ppf s ARG 20 N 2.88 0.82 0.15 1.61 1.70 0.07 -4.94 118.95 121.25 1ppf s ARG 20 Ca 0.00 -0.90 -0.33 0.00 -0.47 0.00 0.00 55.73 54.03 1ppf s ARG 20 Cb 0.00 0.34 -0.12 0.00 -0.57 0.00 0.00 34.95 34.59 1ppf s ARG 20 CO 0.00 -0.26 1.71 2.89 -1.08 0.00 0.00 175.30 178.56 1ppf n ARG 21 N 0.06 2.50 -1.59 3.89 1.85 -1.26 -0.18 116.66 121.92 1ppf n ARG 21 Ca -0.16 0.90 -0.32 0.00 -1.00 0.00 0.00 57.85 57.27 1ppf n ARG 21 Cb 0.62 -2.73 0.06 0.00 -1.05 0.00 0.00 32.46 29.36 1ppf n ARG 21 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ppf s ALA 22 N 1.68 2.42 0.38 2.89 0.00 0.11 -4.81 121.76 124.43 1ppf s ALA 22 Ca 0.80 0.41 -0.25 0.00 0.00 0.00 0.00 51.96 52.92 1ppf s ALA 22 Cb -0.58 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.16 1ppf s ALA 22 CO 0.37 -1.42 1.05 1.03 0.00 0.00 0.00 175.76 176.80 1ppf s ARG 23 N -4.43 4.24 -0.01 0.00 1.81 -1.26 -4.92 118.95 114.38 1ppf s ARG 23 Ca 0.64 1.55 -0.36 0.00 -1.72 0.00 0.00 55.73 55.85 1ppf s ARG 23 Cb -0.19 -2.64 -0.14 0.00 -0.45 0.00 0.00 34.95 31.53 1ppf s ARG 23 CO 0.47 -0.08 1.65 -2.30 -0.68 0.00 0.00 175.30 174.36 1ppf n PRO 24 N 0.13 1.77 -2.16 3.54 -0.02 -1.26 -1.46 135.00 135.55 1ppf n PRO 24 Ca 0.04 0.64 -0.19 0.00 -2.02 0.00 0.00 63.50 61.97 1ppf n PRO 24 Cb 0.49 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1ppf n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1ppf n HIS 25 N 4.56 -0.77 -0.20 6.00 8.25 -1.26 -4.87 115.22 126.92 1ppf n HIS 25 Ca 0.21 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.76 1ppf n HIS 25 Cb 0.24 -3.64 0.38 0.00 1.12 0.00 0.00 29.99 28.09 1ppf n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ppf h ALA 26 N 0.74 1.80 -2.13 -1.41 0.00 -1.63 -3.35 119.26 113.27 1ppf h ALA 26 Ca -0.44 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 53.88 1ppf h ALA 26 Cb 1.32 -0.16 -0.41 0.00 0.00 0.00 0.00 17.79 18.55 1ppf h ALA 26 CO 0.56 0.04 -0.78 0.91 0.00 0.00 0.00 179.25 179.99 1ppf n TRP 27 N -4.50 2.35 1.15 0.00 7.02 -1.26 -4.97 117.44 117.22 1ppf n TRP 27 Ca 0.13 -3.95 0.00 0.00 -1.02 0.00 0.00 57.50 52.66 1ppf n TRP 27 Cb 0.33 -0.49 0.00 0.00 -2.42 0.00 0.00 31.31 28.74 1ppf n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1ppf n PRO 28 N 0.89 0.88 -0.07 -0.99 -0.04 -1.26 -0.94 135.00 133.47 1ppf n PRO 28 Ca 0.27 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.82 1ppf n PRO 28 Cb 0.46 -1.31 0.11 0.00 -0.04 0.00 0.00 33.50 32.72 1ppf n PRO 28 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1ppf n PHE 29 N -0.11 0.17 -2.96 0.54 1.16 -1.24 -1.33 117.46 113.70 1ppf n PHE 29 Ca 0.00 -0.12 -0.40 0.00 -1.87 0.00 0.00 57.45 55.06 1ppf n PHE 29 Cb 0.15 -0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 37.98 1ppf n PHE 29 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1ppf s MET 30 N -1.35 4.48 0.10 3.97 1.75 -0.12 -0.40 119.30 127.74 1ppf s MET 30 Ca 0.24 1.04 0.10 0.00 -1.25 0.00 0.00 55.69 55.83 1ppf s MET 30 Cb 0.16 -3.43 -0.04 0.00 2.84 0.00 0.00 34.83 34.36 1ppf s MET 30 CO 0.23 0.10 -0.25 0.08 -0.65 0.00 0.00 175.02 174.52 1ppf s VAL 31 N 0.60 2.09 -0.15 10.11 1.01 -0.24 -4.41 120.40 129.41 1ppf s VAL 31 Ca 0.41 -1.61 -0.05 0.00 0.00 0.00 0.00 61.98 60.73 1ppf s VAL 31 Cb -0.19 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1ppf s VAL 31 CO 0.22 0.12 0.02 -0.55 0.00 0.00 0.00 175.10 174.91 1ppf s SER 32 N -1.81 5.32 -0.14 3.32 0.15 -0.47 -1.98 113.70 118.09 1ppf s SER 32 Ca 0.12 0.05 -0.07 0.00 0.70 0.00 0.00 55.95 56.74 1ppf s SER 32 Cb -0.10 -1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1ppf s SER 32 CO 0.05 0.23 0.11 -0.76 1.20 0.00 0.00 173.24 174.06 1ppf s LEU 33 N 0.04 4.15 -0.00 3.45 1.43 0.11 -1.44 118.68 126.41 1ppf s LEU 33 Ca 0.03 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1ppf s LEU 33 Cb -0.13 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 1ppf s LEU 33 CO 0.02 0.32 -0.04 -1.10 0.23 0.00 0.00 176.35 175.78 1ppf s GLN 34 N -0.52 0.29 0.04 1.70 -0.21 -0.19 -0.88 119.66 119.90 1ppf s GLN 34 Ca 0.12 -0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.36 1ppf s GLN 34 Cb -0.12 -0.28 0.00 0.00 1.00 0.00 0.00 33.01 33.62 1ppf s GLN 34 CO 0.02 0.08 0.03 1.28 -2.12 0.00 0.00 175.29 174.58 1ppf n LEU 35 N 2.97 0.00 0.27 2.90 4.77 -0.30 -0.78 117.00 126.83 1ppf n LEU 35 Ca -0.13 -0.21 0.13 0.00 -0.03 0.00 0.00 56.01 55.78 1ppf n LEU 35 Cb 0.59 -0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.42 1ppf n LEU 35 CO 0.26 -0.29 0.98 -0.09 -1.33 0.00 0.00 177.39 176.92 1ppf h ARG 36 N 0.00 0.00 -0.10 3.23 2.43 -2.01 0.16 114.38 118.08 1ppf h ARG 36 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1ppf h ARG 36 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1ppf h ARG 36 CO 0.04 0.11 0.00 0.41 -1.51 0.00 0.00 179.97 179.02 1ppf n GLY 38 N -0.63 -0.47 0.67 2.80 0.00 -1.26 -5.00 105.19 101.30 1ppf n GLY 38 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1ppf n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ppf n GLY 39 N 0.75 -1.76 3.52 -0.02 0.00 0.55 -4.99 105.19 103.24 1ppf n GLY 39 Ca 0.07 -1.98 -0.55 0.00 0.00 0.00 0.00 46.02 43.56 1ppf n GLY 39 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ppf n HIS 40 N 0.00 0.83 0.00 1.61 -0.00 -1.26 -1.15 115.22 115.25 1ppf n HIS 40 Ca 0.00 0.90 0.00 0.00 -0.00 0.00 0.00 57.72 58.62 1ppf n HIS 40 Cb 0.00 -2.16 0.00 0.00 -0.00 0.00 0.00 29.99 27.83 1ppf n HIS 40 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 1ppf n PHE 41 N 1.60 0.00 -3.80 1.57 -1.74 -0.05 -4.91 117.46 110.12 1ppf n PHE 41 Ca 0.19 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.98 1ppf n PHE 41 Cb 0.15 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.10 1ppf n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1ppf s GLY 43 N -2.90 1.78 0.06 0.00 0.00 0.50 0.04 107.32 106.79 1ppf s GLY 43 Ca 0.12 -1.88 -0.27 0.00 0.00 0.00 0.00 44.72 42.69 1ppf s GLY 43 CO -0.01 -1.43 0.92 0.00 0.00 0.00 0.00 173.10 172.58 1ppf s ALA 44 N -2.80 -1.76 -0.05 3.20 0.00 -0.84 -4.21 121.76 115.31 1ppf s ALA 44 Ca 0.62 0.63 0.04 0.00 0.00 0.00 0.00 51.96 53.26 1ppf s ALA 44 Cb -0.06 0.52 -0.00 0.00 0.00 0.00 0.00 23.12 23.57 1ppf s ALA 44 CO 0.40 -0.84 -0.19 0.99 0.00 0.00 0.00 175.76 176.12 1ppf s THR 45 N -3.19 1.58 -0.41 0.00 2.01 -0.44 -1.08 115.64 114.10 1ppf s THR 45 Ca 0.08 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 1ppf s THR 45 Cb -0.01 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 71.15 1ppf s THR 45 CO -0.04 0.45 1.48 -0.22 -0.69 0.00 0.00 174.62 175.60 1ppf s LEU 46 N 0.06 3.55 0.00 4.42 2.96 0.47 -1.19 118.68 128.95 1ppf s LEU 46 Ca -0.06 0.85 0.13 0.00 -0.22 0.00 0.00 54.13 54.84 1ppf s LEU 46 Cb -0.13 -3.48 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 1ppf s LEU 46 CO 0.03 -1.52 0.68 2.30 -1.32 0.00 0.00 176.35 176.53 1ppf n ILE 47 N 7.13 0.00 -3.88 6.68 -5.35 -0.72 -0.99 119.36 122.23 1ppf n ILE 47 Ca 0.17 -0.30 -0.08 0.00 -0.27 0.00 0.00 62.75 62.28 1ppf n ILE 47 Cb 0.48 1.10 -0.02 0.00 -1.74 0.00 0.00 39.64 39.46 1ppf n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ppf s ALA 48 N -1.88 -0.99 0.43 -1.28 0.00 -1.09 -4.69 121.76 112.28 1ppf s ALA 48 Ca 0.09 -0.47 0.14 0.00 0.00 0.00 0.00 51.96 51.73 1ppf s ALA 48 Cb 0.10 0.87 1.04 0.00 0.00 0.00 0.00 23.12 25.13 1ppf s ALA 48 CO 0.41 -1.00 1.96 -1.35 0.00 0.00 0.00 175.76 175.78 1ppf h PRO 49 N 2.04 0.40 -0.10 0.00 0.11 -1.95 -2.99 132.00 129.51 1ppf h PRO 49 Ca -0.22 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1ppf h PRO 49 Cb 1.25 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1ppf h PRO 49 CO 0.27 0.26 -0.12 0.27 -0.21 0.00 0.00 178.00 178.48 1ppf n ASN 50 N -4.47 2.54 -3.80 -2.05 6.94 -1.26 -1.54 115.26 111.62 1ppf n ASN 50 Ca 0.11 -3.34 -0.15 0.00 -0.02 0.00 0.00 54.58 51.18 1ppf n ASN 50 Cb 0.42 -0.50 -0.16 0.00 -2.36 0.00 0.00 39.78 37.18 1ppf n ASN 50 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1ppf s PHE 51 N -3.00 0.10 0.21 -2.53 0.08 -1.13 -0.84 117.98 110.87 1ppf s PHE 51 Ca 0.37 0.08 0.10 0.00 0.12 0.00 0.00 56.93 57.60 1ppf s PHE 51 Cb 0.33 -0.25 -0.04 0.00 -0.57 0.00 0.00 43.02 42.49 1ppf s PHE 51 CO 0.02 -0.09 -0.16 0.14 -0.10 0.00 0.00 175.22 175.03 1ppf s VAL 52 N 0.90 2.76 -0.03 -0.44 -7.23 -0.45 -1.76 120.40 114.15 1ppf s VAL 52 Ca -0.08 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.19 1ppf s VAL 52 Cb -0.11 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 1ppf s VAL 52 CO -0.02 -0.19 -0.21 -0.32 -0.31 0.00 0.00 175.10 174.06 1ppf s MET 53 N -2.96 2.27 0.00 4.82 1.75 -0.34 0.43 119.30 125.28 1ppf s MET 53 Ca 0.25 -0.84 0.00 0.00 -1.25 0.00 0.00 55.69 53.85 1ppf s MET 53 Cb -0.08 -2.19 0.00 0.00 2.84 0.00 0.00 34.83 35.41 1ppf s MET 53 CO 0.13 0.59 0.00 0.45 -0.65 0.00 0.00 175.02 175.54 1ppf n SER 54 N 2.33 0.00 -4.77 1.11 2.88 0.32 -1.33 113.62 114.15 1ppf n SER 54 Ca -0.17 -0.59 -0.39 0.00 -1.33 0.00 0.00 58.87 56.40 1ppf n SER 54 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 1ppf n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ppf s ALA 55 N -1.63 3.53 0.28 -1.46 0.00 -1.26 0.16 121.76 121.37 1ppf s ALA 55 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1ppf s ALA 55 Cb 0.00 -2.67 0.53 0.00 0.00 0.00 0.00 23.12 20.98 1ppf s ALA 55 CO 0.00 0.22 1.83 0.00 0.00 0.00 0.00 175.76 177.81 1ppf h ALA 56 N 5.50 1.47 0.00 0.00 0.00 -1.74 -1.77 119.26 122.73 1ppf h ALA 56 Ca -0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ppf h ALA 56 Cb 1.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ppf h ALA 56 CO 0.68 0.21 0.00 1.12 0.00 0.00 0.00 179.25 181.26 1ppf h HIS 57 N 0.97 0.00 -0.10 0.00 2.07 -1.93 -2.14 115.15 114.02 1ppf h HIS 57 Ca 0.49 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.95 1ppf h HIS 57 Cb 0.48 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.45 1ppf h HIS 57 CO -0.01 0.00 -0.18 0.00 -3.07 0.00 0.00 177.93 174.67 1ppf n VAL 59 N -4.26 0.00 -2.51 0.00 0.24 -0.86 -4.82 118.33 106.13 1ppf n VAL 59 Ca -0.01 -0.23 -0.39 0.00 -2.04 0.00 0.00 64.34 61.67 1ppf n VAL 59 Cb 0.29 1.12 -0.04 0.00 -1.47 0.00 0.00 33.84 33.73 1ppf n VAL 59 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ppf s ALA 60 N -2.26 3.32 -2.12 2.33 0.00 -0.88 -3.35 121.76 118.80 1ppf s ALA 60 Ca 0.11 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1ppf s ALA 60 Cb 0.13 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1ppf s ALA 60 CO 0.54 -0.15 0.00 0.09 0.00 0.00 0.00 175.76 176.24 1ppf n ASN 61 N 0.88 -5.33 -4.51 0.00 3.02 -1.26 -4.99 115.26 103.07 1ppf n ASN 61 Ca 0.00 0.49 -0.24 0.00 -0.03 0.00 0.00 54.58 54.81 1ppf n ASN 61 Cb 0.46 -4.70 -0.09 0.00 -0.61 0.00 0.00 39.78 34.83 1ppf n ASN 61 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1ppf s VAL 62 N -2.69 2.70 -0.80 2.41 -7.23 -1.21 -5.10 120.40 108.48 1ppf s VAL 62 Ca 0.00 -2.26 -0.22 0.00 -1.81 0.00 0.00 61.98 57.69 1ppf s VAL 62 Cb 0.00 -2.42 0.08 0.00 0.56 0.00 0.00 36.38 34.60 1ppf s VAL 62 CO 0.00 -0.37 1.14 0.21 -0.31 0.00 0.00 175.10 175.77 1ppf s ASN 63 N -3.48 6.34 0.50 4.85 2.47 -1.26 -4.90 114.94 119.45 1ppf s ASN 63 Ca 0.30 -1.24 0.24 0.00 0.42 0.00 0.00 52.86 52.58 1ppf s ASN 63 Cb -0.06 -2.46 1.32 0.00 -1.45 0.00 0.00 41.25 38.60 1ppf s ASN 63 CO 0.16 -1.43 1.93 1.62 -3.72 0.00 0.00 177.10 175.66 1ppf h VAL 63 N 6.08 0.68 -0.00 -5.21 3.04 -1.98 -0.22 116.25 118.64 1ppf h VAL 63 Ca -0.10 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1ppf h VAL 63 Cb 1.05 0.54 -0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1ppf h VAL 63 CO 1.22 0.02 0.00 0.03 -1.01 0.00 0.00 177.57 177.84 1ppf h ARG 63 N 0.13 0.00 -0.01 4.17 3.08 -1.90 -2.09 114.38 117.76 1ppf h ARG 63 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1ppf h ARG 63 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1ppf h ARG 63 CO -0.05 0.00 -0.33 0.00 -1.07 0.00 0.00 179.97 178.52 1ppf n ALA 63 N -2.28 3.21 -2.69 0.04 0.00 -0.10 -4.89 120.51 113.81 1ppf n ALA 63 Ca -0.03 -0.38 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 1ppf n ALA 63 Cb 0.08 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 1ppf n ALA 63 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ppf s VAL 64 N -2.65 4.89 -0.09 0.00 1.01 -0.79 -4.64 120.40 118.13 1ppf s VAL 64 Ca 0.20 1.71 -0.08 0.00 0.00 0.00 0.00 61.98 63.81 1ppf s VAL 64 Cb 0.19 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1ppf s VAL 64 CO 0.57 0.08 0.19 -0.13 0.00 0.00 0.00 175.10 175.81 1ppf s ARG 65 N 1.76 3.51 -0.33 2.72 0.52 0.04 -4.28 118.95 122.90 1ppf s ARG 65 Ca 0.41 -0.06 -0.08 0.00 -0.52 0.00 0.00 55.73 55.48 1ppf s ARG 65 Cb -0.17 -3.18 0.02 0.00 0.52 0.00 0.00 34.95 32.13 1ppf s ARG 65 CO 0.16 0.76 0.12 0.08 0.02 0.00 0.00 175.30 176.43 1ppf s VAL 66 N -1.07 4.07 -0.23 3.52 1.01 0.88 -1.02 120.40 127.56 1ppf s VAL 66 Ca 0.17 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1ppf s VAL 66 Cb -0.13 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1ppf s VAL 66 CO 0.07 -0.07 0.15 -0.69 0.00 0.00 0.00 175.10 174.55 1ppf s VAL 67 N 1.49 5.28 0.23 2.92 1.01 -0.52 -1.38 120.40 129.42 1ppf s VAL 67 Ca 0.01 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1ppf s VAL 67 Cb -0.18 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1ppf s VAL 67 CO 0.04 0.36 0.08 -0.76 0.00 0.00 0.00 175.10 174.82 1ppf s LEU 68 N 0.98 3.50 0.00 3.92 1.43 0.57 -1.37 118.68 127.70 1ppf s LEU 68 Ca 0.07 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1ppf s LEU 68 Cb -0.13 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1ppf s LEU 68 CO 0.04 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.24 1ppf n GLY 69 N -0.76 0.93 3.82 -3.19 0.00 -1.26 -2.04 105.19 102.70 1ppf n GLY 69 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1ppf n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ppf s ALA 70 N -3.73 2.85 0.14 4.61 0.00 -1.26 -4.16 121.76 120.20 1ppf s ALA 70 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1ppf s ALA 70 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1ppf s ALA 70 CO 0.00 -0.73 0.00 1.58 0.00 0.00 0.00 175.76 176.61 1ppf n HIS 71 N -2.20 -1.09 -4.02 0.00 -0.00 -1.26 -4.74 115.22 101.91 1ppf n HIS 71 Ca 0.08 0.19 -0.33 0.00 0.46 0.00 0.00 57.72 58.12 1ppf n HIS 71 Cb 0.53 0.40 -0.15 0.00 -0.12 0.00 0.00 29.99 30.66 1ppf n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1ppf s ASN 72 N -5.15 4.29 0.29 0.26 3.84 -1.26 -2.30 114.94 114.91 1ppf s ASN 72 Ca 0.00 -1.13 0.24 0.00 0.21 0.00 0.00 52.86 52.18 1ppf s ASN 72 Cb 0.00 -1.60 1.04 0.00 -0.55 0.00 0.00 41.25 40.14 1ppf s ASN 72 CO 0.00 -0.16 1.73 -0.07 -2.79 0.00 0.00 177.10 175.81 1ppf h LEU 73 N 7.90 0.00 0.00 3.21 3.38 -0.88 -2.81 115.31 126.10 1ppf h LEU 73 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1ppf h LEU 73 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ppf h LEU 73 CO 0.53 0.00 -0.68 -1.54 0.09 0.00 0.00 178.44 176.84 1ppf n SER 74 N -2.30 0.61 -4.80 -0.43 3.41 -1.26 -4.98 113.62 103.87 1ppf n SER 74 Ca 0.02 -0.09 -0.22 0.00 -0.26 0.00 0.00 58.87 58.32 1ppf n SER 74 Cb 0.21 0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 1ppf n SER 74 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ppf s ARG 75 N -3.12 2.57 -0.45 4.33 6.06 -1.06 -5.10 118.95 122.18 1ppf s ARG 75 Ca 0.07 -1.41 -0.18 0.00 -2.50 0.00 0.00 55.73 51.71 1ppf s ARG 75 Cb 0.15 -2.35 0.04 0.00 0.06 0.00 0.00 34.95 32.85 1ppf s ARG 75 CO 0.73 0.09 0.51 0.50 -2.50 0.00 0.00 175.30 174.64 1ppf s ARG 76 N -3.94 3.12 -0.19 5.12 3.52 -1.26 -4.96 118.95 120.36 1ppf s ARG 76 Ca 0.40 -0.79 -0.03 0.00 -0.13 0.00 0.00 55.73 55.17 1ppf s ARG 76 Cb -0.04 -4.01 -0.02 0.00 -1.56 0.00 0.00 34.95 29.32 1ppf s ARG 76 CO 0.25 -0.99 -0.05 -1.21 -0.81 0.00 0.00 175.30 172.49 1ppf s GLU 77 N 2.32 3.48 0.50 5.12 2.02 -1.26 -4.95 118.70 125.93 1ppf s GLU 77 Ca 0.14 -0.60 0.18 0.00 0.02 0.00 0.00 54.97 54.71 1ppf s GLU 77 Cb -0.18 -2.93 1.26 0.00 0.10 0.00 0.00 34.13 32.38 1ppf s GLU 77 CO 0.13 0.00 2.09 -1.35 0.02 0.00 0.00 175.26 176.16 1ppf h PRO 78 N 7.46 0.00 -0.26 0.39 0.11 -1.96 -3.02 132.00 134.72 1ppf h PRO 78 Ca -0.35 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.83 1ppf h PRO 78 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1ppf h PRO 78 CO 0.60 0.09 0.22 1.15 -0.21 0.00 0.00 178.00 179.84 1ppf h THR 79 N 0.00 0.68 -4.01 -1.15 2.02 -1.93 -3.46 112.91 105.07 1ppf h THR 79 Ca -0.00 0.00 -0.47 0.00 0.77 0.00 0.00 66.41 66.71 1ppf h THR 79 Cb 0.16 0.84 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1ppf h THR 79 CO 0.01 0.00 0.39 -0.13 0.37 0.00 0.00 175.52 176.16 1ppf s ARG 80 N -4.86 4.09 -0.07 6.66 0.52 -1.14 -4.60 118.95 119.54 1ppf s ARG 80 Ca -0.05 1.38 0.04 0.00 -0.52 0.00 0.00 55.73 56.58 1ppf s ARG 80 Cb 0.17 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.29 1ppf s ARG 80 CO 0.64 -0.18 -0.19 -0.65 0.02 0.00 0.00 175.30 174.93 1ppf s GLN 81 N -2.82 2.31 -0.13 3.54 -0.21 -0.87 -4.99 119.66 116.51 1ppf s GLN 81 Ca 0.61 -0.69 0.01 0.00 0.02 0.00 0.00 55.36 55.31 1ppf s GLN 81 Cb -0.18 -1.86 0.02 0.00 1.00 0.00 0.00 33.01 31.99 1ppf s GLN 81 CO 0.22 0.18 -0.14 0.08 -2.12 0.00 0.00 175.29 173.51 1ppf s VAL 82 N 0.29 1.48 0.38 1.09 1.01 -1.26 -0.32 120.40 123.07 1ppf s VAL 82 Ca -0.12 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1ppf s VAL 82 Cb -0.15 -1.38 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 1ppf s VAL 82 CO 0.05 0.44 0.02 -0.36 0.00 0.00 0.00 175.10 175.26 1ppf s PHE 83 N 1.27 2.34 0.38 5.22 0.08 -0.48 -4.94 117.98 121.84 1ppf s PHE 83 Ca -0.01 -0.76 0.08 0.00 0.12 0.00 0.00 56.93 56.36 1ppf s PHE 83 Cb -0.14 -1.61 -0.06 0.00 -0.57 0.00 0.00 43.02 40.64 1ppf s PHE 83 CO -0.06 0.30 0.04 0.00 -0.10 0.00 0.00 175.22 175.40 1ppf s ALA 84 N -2.90 3.25 -0.19 5.36 0.00 -1.26 -0.09 121.76 125.93 1ppf s ALA 84 Ca 0.35 -2.12 -0.09 0.00 0.00 0.00 0.00 51.96 50.10 1ppf s ALA 84 Cb 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 1ppf s ALA 84 CO 0.17 -0.04 0.12 0.08 0.00 0.00 0.00 175.76 176.09 1ppf s VAL 85 N -2.61 5.30 -0.18 0.00 1.01 -1.26 -2.17 120.40 120.49 1ppf s VAL 85 Ca 0.36 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.41 1ppf s VAL 85 Cb 0.04 -3.40 -0.22 0.00 0.00 0.00 0.00 36.38 32.80 1ppf s VAL 85 CO 0.19 0.46 0.15 1.67 0.00 0.00 0.00 175.10 177.57 1ppf n GLN 86 N 3.34 0.69 -3.49 2.72 7.27 0.75 -4.83 117.38 123.83 1ppf n GLN 86 Ca -0.17 0.29 -0.12 0.00 0.07 0.00 0.00 57.00 57.08 1ppf n GLN 86 Cb 0.52 -1.66 -0.03 0.00 2.41 0.00 0.00 30.24 31.49 1ppf n GLN 86 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1ppf s ARG 87 N -2.51 1.21 0.12 3.69 3.52 -1.22 -5.00 118.95 118.75 1ppf s ARG 87 Ca -0.28 -0.53 0.08 0.00 -0.13 0.00 0.00 55.73 54.87 1ppf s ARG 87 Cb 0.08 0.55 -0.04 0.00 -1.56 0.00 0.00 34.95 33.98 1ppf s ARG 87 CO 0.68 -0.51 -0.18 0.96 -0.81 0.00 0.00 175.30 175.44 1ppf s ILE 88 N -3.70 1.60 -0.09 4.11 -4.36 -1.26 -1.33 121.20 116.17 1ppf s ILE 88 Ca 0.01 -1.63 0.03 0.00 -0.26 0.00 0.00 60.65 58.81 1ppf s ILE 88 Cb -0.00 -1.56 0.01 0.00 1.25 0.00 0.00 42.46 42.16 1ppf s ILE 88 CO -0.12 -0.20 -0.18 -0.36 0.24 0.00 0.00 174.94 174.32 1ppf s PHE 89 N -1.53 2.06 0.46 1.37 0.40 0.02 -4.99 117.98 115.77 1ppf s PHE 89 Ca 0.08 -0.84 0.04 0.00 -0.60 0.00 0.00 56.93 55.61 1ppf s PHE 89 Cb -0.08 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 1ppf s PHE 89 CO 0.04 -0.38 0.06 -2.00 0.70 0.00 0.00 175.22 173.64 1ppf s GLU 90 N 0.56 2.11 -0.44 0.44 -6.30 -1.26 -2.02 118.70 111.79 1ppf s GLU 90 Ca -0.15 -2.19 0.07 0.00 -2.50 0.00 0.00 54.97 50.20 1ppf s GLU 90 Cb -0.17 -1.67 0.30 0.00 0.00 0.00 0.00 34.13 32.59 1ppf s GLU 90 CO 0.05 -0.23 0.92 -1.71 0.02 0.00 0.00 175.26 174.32 1ppf n ASN 92 N -1.18 -1.61 -3.49 -1.70 4.05 -1.26 -4.97 115.26 105.09 1ppf n ASN 92 Ca -0.10 -3.36 -0.24 0.00 0.45 0.00 0.00 54.58 51.33 1ppf n ASN 92 Cb 0.66 1.14 0.05 0.00 1.23 0.00 0.00 39.78 42.87 1ppf n ASN 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ppf n GLY 93 N 0.79 -1.08 3.65 8.20 0.00 -1.26 -4.85 105.19 110.64 1ppf n GLY 93 Ca 0.12 0.51 -0.50 0.00 0.00 0.00 0.00 46.02 46.16 1ppf n GLY 93 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ppf n TYR 94 N -3.65 2.03 -4.00 1.61 9.36 -1.24 -4.65 117.16 116.62 1ppf n TYR 94 Ca -0.08 0.36 -0.33 0.00 3.32 0.00 0.00 57.90 61.17 1ppf n TYR 94 Cb 0.60 -2.49 -0.15 0.00 -0.63 0.00 0.00 39.34 36.67 1ppf n TYR 94 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ppf s ASP 95 N 1.66 4.68 0.46 2.98 -1.08 0.30 -4.97 116.67 120.71 1ppf s ASP 95 Ca 0.85 -1.66 0.31 0.00 -0.52 0.00 0.00 52.55 51.54 1ppf s ASP 95 Cb -0.81 -1.62 1.39 0.00 -1.46 0.00 0.00 42.92 40.42 1ppf s ASP 95 CO 0.46 -0.29 1.93 1.55 0.52 0.00 0.00 175.17 179.35 1ppf h PRO 96 N 7.78 0.00 0.02 4.34 0.13 -1.95 0.46 132.00 142.79 1ppf h PRO 96 Ca -0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.95 1ppf h PRO 96 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1ppf h PRO 96 CO 0.51 0.00 -0.17 0.28 -0.23 0.00 0.00 178.00 178.39 1ppf h VAL 97 N 0.00 1.66 0.00 1.56 2.07 -1.97 -3.37 116.25 116.20 1ppf h VAL 97 Ca 0.00 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.35 1ppf h VAL 97 Cb 0.35 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 1ppf h VAL 97 CO 0.00 0.58 -1.09 0.59 0.02 0.00 0.00 177.57 177.67 1ppf n ASN 98 N -4.54 0.85 -3.26 0.57 3.02 -1.20 -5.01 115.26 105.69 1ppf n ASN 98 Ca -0.10 -0.83 -0.16 0.00 -0.03 0.00 0.00 54.58 53.46 1ppf n ASN 98 Cb 0.51 1.07 0.08 0.00 -0.61 0.00 0.00 39.78 40.83 1ppf n ASN 98 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ppf n LEU 99 N -1.60 -4.57 -4.63 3.41 4.77 0.16 -4.99 117.00 109.55 1ppf n LEU 99 Ca 0.03 -0.63 -0.26 0.00 -0.03 0.00 0.00 56.01 55.13 1ppf n LEU 99 Cb 0.36 -3.05 -0.08 0.00 -2.33 0.00 0.00 43.42 38.32 1ppf n LEU 99 CO 0.43 0.26 -0.35 -0.76 -1.33 0.00 0.00 177.39 175.63 1ppf s LEU 100 N -5.82 3.18 -1.40 2.23 1.43 -0.94 -4.70 118.68 112.66 1ppf s LEU 100 Ca 0.17 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 1ppf s LEU 100 Cb -0.02 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.40 1ppf s LEU 100 CO 0.70 0.07 0.33 0.59 0.23 0.00 0.00 176.35 178.27 1ppf n ASN 101 N -0.30 -1.07 -3.61 2.29 4.13 -1.26 -0.54 115.26 114.90 1ppf n ASN 101 Ca -0.09 -1.19 -0.41 0.00 1.68 0.00 0.00 54.58 54.57 1ppf n ASN 101 Cb 0.56 -2.16 -0.00 0.00 -1.54 0.00 0.00 39.78 36.64 1ppf n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1ppf n ASP 102 N -2.73 7.11 -4.06 6.41 2.03 -1.26 -3.59 116.55 120.46 1ppf n ASP 102 Ca -0.26 -3.13 -0.17 0.00 0.52 0.00 0.00 54.79 51.75 1ppf n ASP 102 Cb 0.66 -1.40 -0.13 0.00 -0.72 0.00 0.00 41.12 39.53 1ppf n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ppf s ILE 103 N -0.68 0.72 0.04 5.18 2.07 -1.26 -3.62 121.20 123.65 1ppf s ILE 103 Ca 0.49 -0.73 -0.00 0.00 -1.41 0.00 0.00 60.65 59.01 1ppf s ILE 103 Cb 0.15 -0.67 -0.03 0.00 0.13 0.00 0.00 42.46 42.04 1ppf s ILE 103 CO -0.06 -0.03 -0.04 0.68 -1.91 0.00 0.00 174.94 173.58 1ppf s VAL 104 N -0.70 0.24 -0.08 4.00 -7.23 0.12 -4.25 120.40 112.50 1ppf s VAL 104 Ca -0.01 -1.40 0.04 0.00 -1.81 0.00 0.00 61.98 58.80 1ppf s VAL 104 Cb -0.06 -0.95 -0.00 0.00 0.56 0.00 0.00 36.38 35.93 1ppf s VAL 104 CO 0.00 -0.74 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.21 1ppf s ILE 105 N -2.70 1.86 -0.17 -0.62 -1.09 -0.85 -0.53 121.20 117.10 1ppf s ILE 105 Ca -0.03 -0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 57.44 1ppf s ILE 105 Cb -0.01 -1.61 -0.02 0.00 -1.58 0.00 0.00 42.46 39.25 1ppf s ILE 105 CO -0.05 0.52 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.34 1ppf s LEU 106 N 0.24 2.94 -0.14 2.97 1.43 0.17 -0.80 118.68 125.49 1ppf s LEU 106 Ca -0.13 -0.29 -0.27 0.00 -1.03 0.00 0.00 54.13 52.42 1ppf s LEU 106 Cb -0.16 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1ppf s LEU 106 CO 0.06 0.11 0.89 -1.58 0.23 0.00 0.00 176.35 176.06 1ppf s GLN 107 N 0.72 4.35 0.46 1.70 0.74 -0.44 -1.34 119.66 125.84 1ppf s GLN 107 Ca -0.03 1.14 -0.20 0.00 0.05 0.00 0.00 55.36 56.32 1ppf s GLN 107 Cb -0.15 -3.56 -0.10 0.00 1.10 0.00 0.00 33.01 30.30 1ppf s GLN 107 CO 0.02 -0.31 0.97 -0.51 -0.55 0.00 0.00 175.29 174.91 1ppf s LEU 108 N 2.05 3.85 0.00 3.68 1.43 -0.02 -0.18 118.68 129.49 1ppf s LEU 108 Ca 0.42 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 1ppf s LEU 108 Cb -0.17 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.52 1ppf s LEU 108 CO 0.14 -0.45 0.70 -0.46 0.23 0.00 0.00 176.35 176.52 1ppf n ASN 109 N -0.91 0.52 -0.12 2.29 6.94 -0.92 -4.58 115.26 118.49 1ppf n ASN 109 Ca 0.07 -1.93 0.00 0.00 -0.02 0.00 0.00 54.58 52.70 1ppf n ASN 109 Cb 0.54 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 1ppf n ASN 109 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ppf n GLY 110 N 0.22 3.10 2.87 4.83 0.00 -1.26 -4.98 105.19 109.97 1ppf n GLY 110 Ca 0.00 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 1ppf n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ppf s SER 111 N 1.57 0.61 0.74 1.61 0.15 -1.26 -4.46 113.70 112.65 1ppf s SER 111 Ca 0.00 -0.07 -0.15 0.00 0.70 0.00 0.00 55.95 56.42 1ppf s SER 111 Cb 0.00 -0.27 0.01 0.00 -1.71 0.00 0.00 66.02 64.05 1ppf s SER 111 CO 0.00 -0.06 0.89 0.00 1.20 0.00 0.00 173.24 175.27 1ppf n ALA 112 N 3.90 -0.58 -2.65 5.45 0.00 -0.59 -4.98 120.51 121.06 1ppf n ALA 112 Ca -0.24 -0.24 -0.40 0.00 0.00 0.00 0.00 53.44 52.56 1ppf n ALA 112 Cb 0.52 -2.07 -0.07 0.00 0.00 0.00 0.00 19.45 17.83 1ppf n ALA 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ppf s THR 113 N -1.90 5.08 -0.20 0.00 2.01 -1.26 -4.97 115.64 114.40 1ppf s THR 113 Ca 0.71 0.99 -0.29 0.00 0.31 0.00 0.00 61.69 63.41 1ppf s THR 113 Cb -0.33 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.32 1ppf s THR 113 CO 0.53 0.14 1.03 -0.63 -0.69 0.00 0.00 174.62 175.00 1ppf s ILE 114 N 1.83 4.70 0.00 1.82 1.09 -1.26 -4.74 121.20 124.64 1ppf s ILE 114 Ca 0.24 2.03 0.00 0.00 -1.10 0.00 0.00 60.65 61.82 1ppf s ILE 114 Cb -0.15 -4.31 0.00 0.00 -1.06 0.00 0.00 42.46 36.94 1ppf s ILE 114 CO 0.10 -0.14 0.00 -0.46 -0.10 0.00 0.00 174.94 174.34 1ppf n ASN 115 N 6.02 0.00 0.09 3.58 2.04 -0.83 -4.99 115.26 121.18 1ppf n ASN 115 Ca 0.11 -0.31 0.02 0.00 -0.44 0.00 0.00 54.58 53.96 1ppf n ASN 115 Cb 0.47 0.00 0.37 0.00 -2.53 0.00 0.00 39.78 38.08 1ppf n ASN 115 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ppf h ALA 116 N 1.45 1.47 0.00 -2.53 0.00 -2.01 -3.10 119.26 114.55 1ppf h ALA 116 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ppf h ALA 116 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ppf h ALA 116 CO 0.00 0.37 -0.47 0.09 0.00 0.00 0.00 179.25 179.25 1ppf n ASN 117 N -4.27 0.73 -3.66 0.00 4.13 -1.26 -4.81 115.26 106.12 1ppf n ASN 117 Ca -0.00 0.23 -0.22 0.00 1.68 0.00 0.00 54.58 56.27 1ppf n ASN 117 Cb 0.26 -0.08 -0.18 0.00 -1.54 0.00 0.00 39.78 38.25 1ppf n ASN 117 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ppf s VAL 118 N -3.15 -0.06 0.04 2.41 1.01 -1.17 -4.06 120.40 115.42 1ppf s VAL 118 Ca 0.07 0.21 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 1ppf s VAL 118 Cb 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.19 1ppf s VAL 118 CO 0.69 0.04 0.19 -1.10 0.00 0.00 0.00 175.10 174.91 1ppf s GLN 119 N 2.14 0.67 0.13 2.72 -0.21 -0.44 -1.96 119.66 122.71 1ppf s GLN 119 Ca 0.04 -0.62 -0.24 0.00 0.02 0.00 0.00 55.36 54.56 1ppf s GLN 119 Cb -0.13 0.28 -0.07 0.00 1.00 0.00 0.00 33.01 34.08 1ppf s GLN 119 CO -0.05 -0.19 0.74 0.08 -2.12 0.00 0.00 175.29 173.74 1ppf s VAL 120 N -2.49 4.49 0.64 1.09 1.01 -1.26 -3.61 120.40 120.27 1ppf s VAL 120 Ca -0.06 1.60 -0.09 0.00 0.00 0.00 0.00 61.98 63.43 1ppf s VAL 120 Cb -0.01 -4.09 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 1ppf s VAL 120 CO -0.04 0.50 1.00 0.00 0.00 0.00 0.00 175.10 176.57 1ppf s ALA 121 N -0.96 3.09 -0.16 5.51 0.00 -0.16 -4.97 121.76 124.11 1ppf s ALA 121 Ca 0.35 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.83 1ppf s ALA 121 Cb -0.22 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1ppf s ALA 121 CO 0.24 -0.89 0.10 -0.65 0.00 0.00 0.00 175.76 174.56 1ppf s GLN 122 N -5.17 3.82 0.12 0.00 -0.21 -1.26 -4.85 119.66 112.11 1ppf s GLN 122 Ca 0.55 -0.25 0.07 0.00 0.02 0.00 0.00 55.36 55.75 1ppf s GLN 122 Cb -0.11 -3.24 -0.04 0.00 1.00 0.00 0.00 33.01 30.63 1ppf s GLN 122 CO 0.50 0.45 -0.06 -0.51 -2.12 0.00 0.00 175.29 173.55 1ppf s LEU 123 N -0.11 3.20 0.95 2.90 1.43 -1.26 -0.18 118.68 125.61 1ppf s LEU 123 Ca 0.09 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 1ppf s LEU 123 Cb -0.12 -1.95 0.16 0.00 0.03 0.00 0.00 46.19 44.31 1ppf s LEU 123 CO 0.01 0.16 1.11 -2.16 0.23 0.00 0.00 176.35 175.69 1ppf s PRO 124 N -2.40 0.85 0.77 1.29 0.04 -1.26 -4.83 135.00 129.46 1ppf s PRO 124 Ca 0.24 0.49 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 1ppf s PRO 124 Cb -0.11 -1.79 0.05 0.00 0.04 0.00 0.00 34.50 32.70 1ppf s PRO 124 CO 0.16 -2.44 1.08 0.00 0.04 0.00 0.00 177.00 175.85 1ppf s ALA 125 N -3.07 2.28 0.32 8.56 0.00 -1.26 -4.90 121.76 123.69 1ppf s ALA 125 Ca 0.64 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 1ppf s ALA 125 Cb -0.17 -3.23 -0.13 0.00 0.00 0.00 0.00 23.12 19.59 1ppf s ALA 125 CO 0.56 -1.69 1.27 0.94 0.00 0.00 0.00 175.76 176.84 1ppf n GLN 126 N -3.46 2.01 -2.61 0.00 -0.06 -1.26 -2.89 117.38 109.11 1ppf n GLN 126 Ca 0.08 0.70 -0.08 0.00 -2.00 0.00 0.00 57.00 55.70 1ppf n GLN 126 Cb 0.54 -2.27 -0.01 0.00 -4.06 0.00 0.00 30.24 24.44 1ppf n GLN 126 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ppf n GLY 127 N 1.05 -0.50 3.69 1.69 0.00 0.28 -4.96 105.19 106.44 1ppf n GLY 127 Ca 0.06 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1ppf n GLY 127 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ppf s ARG 128 N -5.16 4.26 -0.13 1.61 6.06 -1.14 -4.99 118.95 119.46 1ppf s ARG 128 Ca 0.06 2.09 -0.05 0.00 -2.50 0.00 0.00 55.73 55.33 1ppf s ARG 128 Cb -0.03 -3.53 -0.04 0.00 0.06 0.00 0.00 34.95 31.41 1ppf s ARG 128 CO 0.07 -0.61 0.06 1.03 -2.50 0.00 0.00 175.30 173.35 1ppf s ARG 129 N 2.28 3.44 0.23 5.12 0.52 -1.26 -4.79 118.95 124.49 1ppf s ARG 129 Ca 0.67 -0.31 -0.22 0.00 -0.52 0.00 0.00 55.73 55.35 1ppf s ARG 129 Cb -0.35 -3.04 -0.09 0.00 0.52 0.00 0.00 34.95 32.00 1ppf s ARG 129 CO 0.29 0.58 0.78 -0.51 0.02 0.00 0.00 175.30 176.46 1ppf s LEU 130 N -0.51 4.40 0.58 2.53 1.43 -1.26 -5.06 118.68 120.80 1ppf s LEU 130 Ca 0.10 1.56 0.08 0.00 -1.03 0.00 0.00 54.13 54.85 1ppf s LEU 130 Cb -0.12 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.57 1ppf s LEU 130 CO 0.02 0.05 0.68 -0.83 0.23 0.00 0.00 176.35 176.51 1ppf s GLY 131 N -1.52 1.93 -0.06 -3.19 0.00 -1.26 -5.01 107.32 98.21 1ppf s GLY 131 Ca 0.43 -1.86 -0.30 0.00 0.00 0.00 0.00 44.72 42.99 1ppf s GLY 131 CO 0.23 -1.79 1.72 0.21 0.00 0.00 0.00 173.10 173.47 1ppf s ASN 132 N -4.57 6.56 0.00 1.64 3.84 -1.26 -2.37 114.94 118.78 1ppf s ASN 132 Ca 0.53 2.24 0.00 0.00 0.21 0.00 0.00 52.86 55.83 1ppf s ASN 132 Cb -0.04 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 1ppf s ASN 132 CO 0.33 -1.02 0.00 0.61 -2.79 0.00 0.00 177.10 174.24 1ppf n GLY 133 N 4.31 0.64 3.74 1.21 0.00 0.46 -4.99 105.19 110.56 1ppf n GLY 133 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1ppf n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ppf s VAL 134 N -2.00 2.94 -0.29 1.61 1.01 -1.00 -4.70 120.40 117.98 1ppf s VAL 134 Ca 0.00 0.76 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 1ppf s VAL 134 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1ppf s VAL 134 CO 0.00 0.10 0.85 -1.10 0.00 0.00 0.00 175.10 174.96 1ppf s GLN 135 N 0.06 4.05 0.34 2.72 -1.52 -1.26 -0.78 119.66 123.28 1ppf s GLN 135 Ca 0.60 0.79 0.03 0.00 -1.95 0.00 0.00 55.36 54.83 1ppf s GLN 135 Cb -0.39 -3.70 -0.04 0.00 -0.22 0.00 0.00 33.01 28.66 1ppf s GLN 135 CO 0.38 -0.67 0.13 0.00 -0.25 0.00 0.00 175.29 174.89 1ppf s LEU 137 N -3.48 2.04 0.32 0.00 2.96 -0.44 -0.26 118.68 119.83 1ppf s LEU 137 Ca 0.32 -0.46 0.10 0.00 -0.22 0.00 0.00 54.13 53.86 1ppf s LEU 137 Cb 0.05 -1.28 -0.05 0.00 0.50 0.00 0.00 46.19 45.41 1ppf s LEU 137 CO 0.16 0.27 -0.05 0.00 -1.32 0.00 0.00 176.35 175.41 1ppf s ALA 138 N -0.38 3.07 0.17 5.97 0.00 0.21 -1.46 121.76 129.34 1ppf s ALA 138 Ca 0.04 -1.91 -0.24 0.00 0.00 0.00 0.00 51.96 49.85 1ppf s ALA 138 Cb -0.11 -0.37 0.06 0.00 0.00 0.00 0.00 23.12 22.70 1ppf s ALA 138 CO 0.01 0.15 0.76 0.00 0.00 0.00 0.00 175.76 176.67 1ppf s MET 139 N -3.65 1.36 0.00 0.00 0.23 -1.24 0.24 119.30 116.24 1ppf s MET 139 Ca 0.33 -0.65 0.00 0.00 -1.03 0.00 0.00 55.69 54.34 1ppf s MET 139 Cb -0.02 0.53 0.00 0.00 -1.53 0.00 0.00 34.83 33.81 1ppf s MET 139 CO 0.18 -0.61 0.00 0.41 -2.03 0.00 0.00 175.02 172.97 1ppf n GLY 140 N -0.40 1.73 1.21 3.16 0.00 -0.85 -4.57 105.19 105.47 1ppf n GLY 140 Ca -0.09 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.94 1ppf n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ppf n TRP 141 N -0.70 1.29 -1.54 1.61 8.01 -1.26 -2.72 117.44 122.13 1ppf n TRP 141 Ca 0.00 -1.35 -0.11 0.00 -1.31 0.00 0.00 57.50 54.73 1ppf n TRP 141 Cb 0.00 -0.48 0.08 0.00 -2.01 0.00 0.00 31.31 28.89 1ppf n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ppf n GLY 142 N -0.86 -0.94 3.48 6.99 0.00 -1.24 -3.09 105.19 109.53 1ppf n GLY 142 Ca 0.32 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.21 1ppf n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ppf n LEU 143 N 0.00 0.72 -0.96 0.99 4.77 -0.26 -2.64 117.00 119.62 1ppf n LEU 143 Ca 0.07 0.83 0.09 0.00 -0.03 0.00 0.00 56.01 56.96 1ppf n LEU 143 Cb 0.23 -1.17 0.24 0.00 -2.33 0.00 0.00 43.42 40.39 1ppf n LEU 143 CO 0.17 -2.81 0.70 0.18 -1.33 0.00 0.00 177.39 174.30 1ppf n LEU 144 N 0.76 2.78 0.00 2.23 4.77 0.88 -1.26 117.00 127.17 1ppf n LEU 144 Ca 0.11 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 1ppf n LEU 144 Cb 0.44 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ppf n LEU 144 CO 0.53 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 1ppf n GLY 145 N 1.34 3.96 3.60 -0.72 0.00 -1.26 -4.45 105.19 107.65 1ppf n GLY 145 Ca 0.18 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1ppf n GLY 145 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ppf s ARG 146 N -2.67 3.21 -1.18 1.61 3.00 -1.26 -2.04 118.95 119.63 1ppf s ARG 146 Ca 0.00 1.52 -0.17 0.00 -1.00 0.00 0.00 55.73 56.08 1ppf s ARG 146 Cb 0.00 -4.26 -0.01 0.00 0.00 0.00 0.00 34.95 30.68 1ppf s ARG 146 CO 0.00 -2.00 0.74 0.09 0.00 0.00 0.00 175.30 174.13 1ppf n ASN 147 N 10.92 -4.43 -0.02 -2.12 3.02 -1.26 -4.86 115.26 116.51 1ppf n ASN 147 Ca 0.25 -1.01 0.02 0.00 -0.03 0.00 0.00 54.58 53.82 1ppf n ASN 147 Cb 0.47 -3.37 -0.02 0.00 -0.61 0.00 0.00 39.78 36.25 1ppf n ASN 147 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ppf n ARG 148 N -4.22 4.88 0.00 3.52 1.74 -0.86 -5.12 116.66 116.59 1ppf n ARG 148 Ca -0.13 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1ppf n ARG 148 Cb 0.61 -0.77 0.00 0.00 -1.02 0.00 0.00 32.46 31.28 1ppf n ARG 148 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ppf n GLY 150 N 1.05 -1.17 3.76 -0.13 0.00 -1.26 -4.76 105.19 102.69 1ppf n GLY 150 Ca 0.01 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1ppf n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ppf s ILE 151 N -1.68 3.03 0.45 -0.61 1.01 -1.26 -0.08 121.20 122.06 1ppf s ILE 151 Ca 0.00 1.04 -0.23 0.00 0.00 0.00 0.00 60.65 61.45 1ppf s ILE 151 Cb 0.00 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 1ppf s ILE 151 CO 0.00 0.25 1.17 0.00 0.00 0.00 0.00 174.94 176.36 1ppf s ALA 152 N -1.14 3.00 -0.14 9.38 0.00 -1.14 -4.84 121.76 126.89 1ppf s ALA 152 Ca 0.47 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 1ppf s ALA 152 Cb -0.37 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.24 1ppf s ALA 152 CO 0.48 -0.64 0.29 0.77 0.00 0.00 0.00 175.76 176.67 1ppf h SER 153 N 2.14 0.00 -3.35 0.00 0.02 -1.94 -3.45 113.55 106.98 1ppf h SER 153 Ca -0.49 -0.46 -0.58 0.00 -0.84 0.00 0.00 61.79 59.42 1ppf h SER 153 Cb 1.25 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.71 1ppf h SER 153 CO 0.61 0.90 0.27 -0.69 -1.14 0.00 0.00 176.83 176.77 1ppf s VAL 154 N -2.04 4.95 -0.35 2.27 1.01 -1.26 -0.18 120.40 124.79 1ppf s VAL 154 Ca -0.14 1.49 -0.45 0.00 0.00 0.00 0.00 61.98 62.88 1ppf s VAL 154 Cb 0.00 -4.07 -0.20 0.00 0.00 0.00 0.00 36.38 32.11 1ppf s VAL 154 CO 0.39 0.09 1.47 -0.11 0.00 0.00 0.00 175.10 176.94 1ppf n LEU 155 N 4.91 1.01 -4.87 3.92 7.94 -0.97 -4.86 117.00 124.08 1ppf n LEU 155 Ca 0.02 1.17 -0.34 0.00 -1.11 0.00 0.00 56.01 55.75 1ppf n LEU 155 Cb 0.49 -0.92 -0.06 0.00 0.53 0.00 0.00 43.42 43.47 1ppf n LEU 155 CO 0.47 -1.08 -0.18 -1.10 -1.11 0.00 0.00 177.39 174.39 1ppf s GLN 156 N 2.24 3.34 0.27 1.96 -1.52 -1.10 0.04 119.66 124.89 1ppf s GLN 156 Ca 1.01 -0.34 0.06 0.00 -1.95 0.00 0.00 55.36 54.14 1ppf s GLN 156 Cb -1.40 -3.05 -0.06 0.00 -0.22 0.00 0.00 33.01 28.29 1ppf s GLN 156 CO 0.74 0.68 -0.04 -1.83 -0.25 0.00 0.00 175.29 174.59 1ppf s GLU 157 N -1.76 1.50 -0.20 2.91 -1.05 0.74 -2.01 118.70 118.84 1ppf s GLU 157 Ca 0.24 -1.76 -0.10 0.00 -0.15 0.00 0.00 54.97 53.21 1ppf s GLU 157 Cb -0.12 -1.02 0.07 0.00 -0.44 0.00 0.00 34.13 32.62 1ppf s GLU 157 CO 0.15 0.00 0.46 -1.17 0.95 0.00 0.00 175.26 175.65 1ppf s LEU 158 N -3.41 -0.38 -0.14 1.83 2.96 0.14 -0.75 118.68 118.93 1ppf s LEU 158 Ca 0.29 1.03 -0.29 0.00 -0.22 0.00 0.00 54.13 54.93 1ppf s LEU 158 Cb 0.04 1.52 -0.02 0.00 0.50 0.00 0.00 46.19 48.24 1ppf s LEU 158 CO 0.11 -0.21 1.28 0.20 -1.32 0.00 0.00 176.35 176.41 1ppf s ASN 159 N 1.78 6.94 0.40 3.68 -0.87 -1.26 -0.62 114.94 125.00 1ppf s ASN 159 Ca -0.08 1.75 0.07 0.00 -1.57 0.00 0.00 52.86 53.04 1ppf s ASN 159 Cb -0.09 -2.54 -0.06 0.00 -0.02 0.00 0.00 41.25 38.54 1ppf s ASN 159 CO -0.14 -0.75 0.12 0.68 -2.57 0.00 0.00 177.10 174.44 1ppf s VAL 160 N 3.35 2.25 -0.08 1.60 -7.23 0.64 -4.83 120.40 116.11 1ppf s VAL 160 Ca 0.56 -1.81 0.04 0.00 -1.81 0.00 0.00 61.98 58.96 1ppf s VAL 160 Cb -0.23 -2.98 -0.01 0.00 0.56 0.00 0.00 36.38 33.72 1ppf s VAL 160 CO 0.17 -0.02 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.85 1ppf s THR 161 N -2.62 2.53 0.37 5.32 2.01 -0.72 -1.23 115.64 121.30 1ppf s THR 161 Ca 0.39 -0.88 -0.27 0.00 0.31 0.00 0.00 61.69 61.23 1ppf s THR 161 Cb 0.05 -1.98 -0.09 0.00 0.01 0.00 0.00 72.50 70.49 1ppf s THR 161 CO 0.21 0.56 1.28 -0.69 -0.69 0.00 0.00 174.62 175.29 1ppf s VAL 162 N -0.10 2.76 0.02 3.82 1.01 0.04 -2.30 120.40 125.65 1ppf s VAL 162 Ca -0.04 0.71 0.03 0.00 0.00 0.00 0.00 61.98 62.68 1ppf s VAL 162 Cb -0.14 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1ppf s VAL 162 CO 0.04 0.13 -0.08 0.68 0.00 0.00 0.00 175.10 175.87 1ppf s VAL 163 N -1.23 0.62 -0.07 2.92 -7.23 -0.79 -0.40 120.40 114.22 1ppf s VAL 163 Ca 0.53 -0.75 0.14 0.00 -1.81 0.00 0.00 61.98 60.10 1ppf s VAL 163 Cb -0.38 -0.60 -0.21 0.00 0.56 0.00 0.00 36.38 35.75 1ppf s VAL 163 CO 0.49 -0.11 0.22 0.35 -0.31 0.00 0.00 175.10 175.73 1ppf n THR 164 N 2.11 0.41 -2.49 5.32 -2.24 -1.26 -4.11 114.28 112.01 1ppf n THR 164 Ca -0.18 -0.46 -0.33 0.00 -2.27 0.00 0.00 64.05 60.81 1ppf n THR 164 Cb 0.56 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 1ppf n THR 164 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ppf s SER 165 N -4.18 6.42 -1.45 3.42 0.01 -1.26 -3.29 113.70 113.37 1ppf s SER 165 Ca -0.06 1.79 -0.09 0.00 1.31 0.00 0.00 55.95 58.90 1ppf s SER 165 Cb 0.08 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.80 1ppf s SER 165 CO 0.62 -0.72 0.92 0.18 0.41 0.00 0.00 173.24 174.65 1ppf n LEU 166 N -1.19 -2.80 -3.87 2.44 4.32 -1.26 -4.89 117.00 109.76 1ppf n LEU 166 Ca 0.08 -0.54 -0.11 0.00 -0.02 0.00 0.00 56.01 55.43 1ppf n LEU 166 Cb 0.53 -2.79 -0.09 0.00 -1.62 0.00 0.00 43.42 39.45 1ppf n LEU 166 CO 0.41 0.45 -0.15 0.00 -1.22 0.00 0.00 177.39 176.89 1ppf s ARG 177 N -2.08 2.64 0.38 0.00 1.70 -1.26 -5.01 118.95 115.33 1ppf s ARG 177 Ca -0.09 -1.43 0.28 0.00 -0.47 0.00 0.00 55.73 54.02 1ppf s ARG 177 Cb -0.04 -2.52 1.13 0.00 -0.57 0.00 0.00 34.95 32.95 1ppf s ARG 177 CO -0.02 -0.22 1.83 -0.09 -1.08 0.00 0.00 175.30 175.72 1ppf h ARG 178 N 0.88 0.00 -0.66 3.89 2.43 -2.02 -3.06 114.38 115.85 1ppf h ARG 178 Ca -0.41 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 1ppf h ARG 178 Cb 1.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1ppf h ARG 178 CO 0.53 0.00 0.01 -1.13 -1.51 0.00 0.00 179.97 177.87 1ppf n SER 179 N -2.61 4.91 -4.08 -3.80 3.41 -1.26 -4.83 113.62 105.35 1ppf n SER 179 Ca 0.02 -2.78 -0.12 0.00 -0.26 0.00 0.00 58.87 55.72 1ppf n SER 179 Cb 0.27 -0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 63.46 1ppf n SER 179 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ppf s ASN 180 N -0.65 0.86 -0.20 4.04 0.02 -1.16 -4.43 114.94 113.43 1ppf s ASN 180 Ca 0.45 -0.69 -0.09 0.00 -1.02 0.00 0.00 52.86 51.52 1ppf s ASN 180 Cb 0.35 0.07 -0.04 0.00 0.02 0.00 0.00 41.25 41.64 1ppf s ASN 180 CO 0.13 -0.30 0.10 -0.69 0.02 0.00 0.00 177.10 176.36 1ppf s VAL 181 N -2.11 5.03 0.05 1.60 1.01 -0.68 -4.70 120.40 120.60 1ppf s VAL 181 Ca -0.04 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1ppf s VAL 181 Cb -0.05 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1ppf s VAL 181 CO -0.02 0.43 -0.23 0.00 0.00 0.00 0.00 175.10 175.28 1ppf s THR 183 N -0.83 0.66 -0.15 0.00 -4.23 -0.29 -1.89 115.64 108.90 1ppf s THR 183 Ca 0.10 -1.83 -0.18 0.00 -1.18 0.00 0.00 61.69 58.60 1ppf s THR 183 Cb -0.09 -1.55 0.05 0.00 1.34 0.00 0.00 72.50 72.24 1ppf s THR 183 CO 0.02 -0.82 0.49 -0.22 -0.54 0.00 0.00 174.62 173.55 1ppf s LEU 184 N -2.86 0.12 -0.45 4.79 2.96 -0.97 0.28 118.68 122.55 1ppf s LEU 184 Ca 0.09 0.87 -0.11 0.00 -0.22 0.00 0.00 54.13 54.76 1ppf s LEU 184 Cb 0.04 1.73 0.09 0.00 0.50 0.00 0.00 46.19 48.54 1ppf s LEU 184 CO -0.04 -0.24 0.32 -0.69 -1.32 0.00 0.00 176.35 174.37 1ppf s VAL 185 N -0.05 4.55 0.26 1.68 1.01 -1.26 -1.76 120.40 124.83 1ppf s VAL 185 Ca -0.03 -1.37 -0.29 0.00 0.00 0.00 0.00 61.98 60.29 1ppf s VAL 185 Cb -0.03 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 1ppf s VAL 185 CO 0.02 -0.58 1.25 -0.13 0.00 0.00 0.00 175.10 175.65 1ppf s ARG 186 N 1.48 4.45 0.00 2.72 0.52 -1.26 -3.71 118.95 123.16 1ppf s ARG 186 Ca 0.04 2.03 0.00 0.00 -0.52 0.00 0.00 55.73 57.28 1ppf s ARG 186 Cb -0.24 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.07 1ppf s ARG 186 CO 0.03 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.66 1ppf n GLY 186 N 1.52 0.71 3.00 -3.53 0.00 -1.26 -5.00 105.19 100.63 1ppf n GLY 186 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1ppf n GLY 186 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ppf s ARG 186 N -0.17 0.31 -1.07 1.61 0.52 -1.24 -5.08 118.95 113.83 1ppf s ARG 186 Ca 0.00 -0.50 -0.19 0.00 -0.52 0.00 0.00 55.73 54.52 1ppf s ARG 186 Cb 0.00 0.12 0.10 0.00 0.52 0.00 0.00 34.95 35.69 1ppf s ARG 186 CO 0.00 -0.06 1.39 -0.65 0.02 0.00 0.00 175.30 176.00 1ppf s GLN 187 N -1.29 3.75 0.14 3.54 -0.21 -1.26 -4.70 119.66 119.63 1ppf s GLN 187 Ca -0.14 -1.75 -0.04 0.00 0.02 0.00 0.00 55.36 53.45 1ppf s GLN 187 Cb -0.09 -5.19 -0.03 0.00 1.00 0.00 0.00 33.01 28.71 1ppf s GLN 187 CO -0.00 -1.99 0.15 0.00 -2.12 0.00 0.00 175.29 171.33 1ppf s ALA 188 N 3.47 0.49 0.00 6.09 0.00 -1.26 -4.66 121.76 125.88 1ppf s ALA 188 Ca 0.42 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1ppf s ALA 188 Cb -0.01 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1ppf s ALA 188 CO -0.05 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.57 1ppf n GLY 189 N -0.14 -0.02 3.78 0.00 0.00 -0.87 -4.50 105.19 103.44 1ppf n GLY 189 Ca -0.06 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 1ppf n GLY 189 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ppf s VAL 190 N -2.74 3.48 0.34 1.61 -7.23 -1.26 -0.10 120.40 114.50 1ppf s VAL 190 Ca 0.00 1.08 0.07 0.00 -1.81 0.00 0.00 61.98 61.31 1ppf s VAL 190 Cb 0.00 -3.53 -0.03 0.00 0.56 0.00 0.00 36.38 33.39 1ppf s VAL 190 CO 0.00 -0.05 0.31 0.00 -0.31 0.00 0.00 175.10 175.04 1ppf n PHE 192 N -0.63 2.28 0.00 0.00 3.72 -1.26 -0.63 117.46 120.94 1ppf n PHE 192 Ca 0.07 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 1ppf n PHE 192 Cb 0.62 -2.60 0.00 0.00 -0.94 0.00 0.00 39.48 36.56 1ppf n PHE 192 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ppf n GLY 193 N 3.99 0.61 0.82 1.37 0.00 -1.26 -1.10 105.19 109.62 1ppf n GLY 193 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1ppf n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ppf n ASP 194 N 0.00 2.71 -4.40 1.61 8.00 0.20 -3.66 116.55 121.02 1ppf n ASP 194 Ca 0.00 -1.86 -0.40 0.00 0.71 0.00 0.00 54.79 53.24 1ppf n ASP 194 Cb 0.00 0.10 0.01 0.00 -0.02 0.00 0.00 41.12 41.21 1ppf n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ppf n SER 195 N 1.01 -1.73 0.00 -2.24 7.64 -1.26 -2.01 113.62 115.03 1ppf n SER 195 Ca 0.12 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.81 1ppf n SER 195 Cb 0.55 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1ppf n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppf n GLY 196 N 2.00 2.04 3.81 0.23 0.00 0.13 -0.37 105.19 113.03 1ppf n GLY 196 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1ppf n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ppf s SER 197 N -3.07 6.63 0.62 1.61 0.01 -0.85 -3.07 113.70 115.58 1ppf s SER 197 Ca 0.00 1.76 -0.14 0.00 1.31 0.00 0.00 55.95 58.88 1ppf s SER 197 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1ppf s SER 197 CO 0.00 -0.58 1.05 -2.16 0.41 0.00 0.00 173.24 171.96 1ppf s PRO 198 N -3.36 3.26 -0.26 12.44 0.04 -1.26 -1.17 135.00 144.69 1ppf s PRO 198 Ca 0.63 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.78 1ppf s PRO 198 Cb -0.12 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.44 1ppf s PRO 198 CO 0.19 -0.85 -0.10 -1.17 0.04 0.00 0.00 177.00 175.12 1ppf s LEU 199 N -4.81 3.36 -0.15 -3.56 2.96 -0.54 -3.61 118.68 112.33 1ppf s LEU 199 Ca 0.61 -1.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 1ppf s LEU 199 Cb -0.15 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1ppf s LEU 199 CO 0.43 -0.18 -0.04 0.68 -1.32 0.00 0.00 176.35 175.92 1ppf s VAL 200 N 1.17 3.87 -0.05 1.68 -7.23 -0.54 -0.99 120.40 118.31 1ppf s VAL 200 Ca -0.06 -0.37 -0.02 0.00 -1.81 0.00 0.00 61.98 59.73 1ppf s VAL 200 Cb -0.19 -2.69 0.03 0.00 0.56 0.00 0.00 36.38 34.09 1ppf s VAL 200 CO -0.05 0.50 0.03 0.00 -0.31 0.00 0.00 175.10 175.27 1ppf n ASN 202 N 5.18 -2.02 0.00 0.00 3.02 -1.26 -1.37 115.26 118.81 1ppf n ASN 202 Ca -0.06 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1ppf n ASN 202 Cb 0.50 -3.39 0.00 0.00 -0.61 0.00 0.00 39.78 36.28 1ppf n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ppf n GLY 207 N -1.73 2.50 3.60 7.41 0.00 -1.26 -4.99 105.19 110.73 1ppf n GLY 207 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 1ppf n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ppf s LEU 208 N 0.00 3.05 -0.53 0.99 2.01 -0.47 -4.57 118.68 119.16 1ppf s LEU 208 Ca 0.00 -0.71 -0.22 0.00 0.01 0.00 0.00 54.13 53.21 1ppf s LEU 208 Cb 0.00 -1.59 0.05 0.00 0.01 0.00 0.00 46.19 44.66 1ppf s LEU 208 CO 0.00 0.02 0.79 -0.63 1.01 0.00 0.00 176.35 177.54 1ppf s ILE 209 N -2.29 4.63 -0.13 -0.59 -1.09 0.75 -1.14 121.20 121.34 1ppf s ILE 209 Ca 0.30 -0.10 0.19 0.00 -2.23 0.00 0.00 60.65 58.81 1ppf s ILE 209 Cb -0.06 -4.42 -0.27 0.00 -1.58 0.00 0.00 42.46 36.12 1ppf s ILE 209 CO 0.18 -0.97 0.22 1.41 -1.23 0.00 0.00 174.94 174.56 1ppf n HIS 210 N 6.83 0.00 -4.25 3.97 8.25 -0.16 -4.34 115.22 125.52 1ppf n HIS 210 Ca -0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.30 1ppf n HIS 210 Cb 0.46 -0.77 -0.10 0.00 1.12 0.00 0.00 29.99 30.70 1ppf n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ppf s GLY 211 N -5.01 1.55 -0.17 -1.41 0.00 -1.16 -1.67 107.32 99.46 1ppf s GLY 211 Ca -0.09 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.87 1ppf s GLY 211 CO 0.82 -1.49 -0.08 -0.42 0.00 0.00 0.00 173.10 171.94 1ppf s ILE 212 N -3.98 1.33 0.14 0.90 1.01 -0.51 -1.46 121.20 118.63 1ppf s ILE 212 Ca 0.38 -0.72 -0.33 0.00 0.00 0.00 0.00 60.65 59.98 1ppf s ILE 212 Cb 0.07 -1.42 -0.13 0.00 0.01 0.00 0.00 42.46 40.99 1ppf s ILE 212 CO 0.12 0.20 1.65 0.00 0.00 0.00 0.00 174.94 176.92 1ppf n ALA 213 N 4.81 1.58 0.05 9.38 0.00 -0.32 -0.04 120.51 135.98 1ppf n ALA 213 Ca -0.13 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1ppf n ALA 213 Cb 0.48 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.52 1ppf n ALA 213 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ppf n SER 214 N 4.01 1.11 -3.98 0.00 2.88 -0.38 0.18 113.62 117.45 1ppf n SER 214 Ca 0.18 0.14 -0.10 0.00 -1.33 0.00 0.00 58.87 57.76 1ppf n SER 214 Cb 0.30 -0.34 -0.06 0.00 -0.75 0.00 0.00 64.21 63.36 1ppf n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1ppf s PHE 215 N -2.00 0.40 0.36 0.66 -0.12 -0.82 -4.89 117.98 111.59 1ppf s PHE 215 Ca 0.00 -0.75 0.09 0.00 -0.05 0.00 0.00 56.93 56.22 1ppf s PHE 215 Cb 0.00 0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 42.36 1ppf s PHE 215 CO 0.00 -0.84 -0.04 0.14 -0.05 0.00 0.00 175.22 174.43 1ppf s VAL 216 N -4.00 2.26 -0.09 -2.49 -7.23 -1.26 -1.28 120.40 106.31 1ppf s VAL 216 Ca 0.21 -2.09 -0.08 0.00 -1.81 0.00 0.00 61.98 58.20 1ppf s VAL 216 Cb 0.02 -2.77 0.03 0.00 0.56 0.00 0.00 36.38 34.21 1ppf s VAL 216 CO 0.04 -0.15 0.24 0.00 -0.31 0.00 0.00 175.10 174.93 1ppf s ARG 217 N -3.66 0.27 0.00 4.82 1.70 -1.26 -4.71 118.95 116.10 1ppf s ARG 217 Ca 0.34 0.36 0.00 0.00 -0.47 0.00 0.00 55.73 55.96 1ppf s ARG 217 Cb 0.04 0.10 0.00 0.00 -0.57 0.00 0.00 34.95 34.52 1ppf s ARG 217 CO 0.18 -0.05 0.00 0.41 -1.08 0.00 0.00 175.30 174.75 1ppf n GLY 218 N 3.14 0.62 2.01 3.88 0.00 -1.26 -4.55 105.19 109.03 1ppf n GLY 218 Ca -0.15 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1ppf n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ppf n GLY 219 N -2.71 -2.44 3.76 -0.02 0.00 -1.26 -4.62 105.19 97.90 1ppf n GLY 219 Ca 0.00 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 1ppf n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ppf n ALA 220 N -1.79 -1.69 0.23 0.00 0.00 -1.26 -4.87 120.51 111.12 1ppf n ALA 220 Ca 0.12 -0.26 0.07 0.00 0.00 0.00 0.00 53.44 53.38 1ppf n ALA 220 Cb 0.50 -1.86 0.54 0.00 0.00 0.00 0.00 19.45 18.64 1ppf n ALA 220 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ppf h SER 221 N -1.55 0.00 0.00 0.00 4.64 -1.82 -3.40 113.55 111.42 1ppf h SER 221 Ca -0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1ppf h SER 221 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1ppf h SER 221 CO 0.74 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 1ppf n GLY 222 N -0.74 0.87 0.64 -0.77 0.00 -1.26 -4.86 105.19 99.06 1ppf n GLY 222 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1ppf n GLY 222 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ppf n LEU 223 N 0.00 1.14 -4.67 0.99 4.32 -1.26 -5.02 117.00 112.50 1ppf n LEU 223 Ca 0.00 0.18 -0.35 0.00 -0.02 0.00 0.00 56.01 55.82 1ppf n LEU 223 Cb 0.00 -0.43 -0.09 0.00 -1.62 0.00 0.00 43.42 41.28 1ppf n LEU 223 CO 0.00 -0.13 -0.26 -0.31 -1.22 0.00 0.00 177.39 175.46 1ppf s TYR 224 N -2.30 3.26 0.69 -1.77 1.51 -1.26 -5.09 117.35 112.39 1ppf s TYR 224 Ca -0.15 0.15 -0.15 0.00 -1.01 0.00 0.00 57.07 55.90 1ppf s TYR 224 Cb 0.04 -1.96 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 1ppf s TYR 224 CO 0.20 0.32 1.17 -1.25 -1.11 0.00 0.00 175.55 174.88 1ppf s PRO 225 N -0.22 2.46 0.35 -1.71 0.04 -1.26 -4.78 135.00 129.89 1ppf s PRO 225 Ca 0.07 1.64 -0.24 0.00 0.04 0.00 0.00 61.00 62.51 1ppf s PRO 225 Cb -0.12 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1ppf s PRO 225 CO 0.02 -1.56 0.94 -0.51 0.04 0.00 0.00 177.00 175.92 1ppf s ASP 226 N -2.16 7.20 -0.14 6.66 1.01 0.14 -4.69 116.67 124.68 1ppf s ASP 226 Ca 0.72 1.77 -0.05 0.00 0.71 0.00 0.00 52.55 55.70 1ppf s ASP 226 Cb -0.26 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.07 1ppf s ASP 226 CO 0.42 -0.16 0.03 0.00 0.21 0.00 0.00 175.17 175.68 1ppf s ALA 227 N -1.80 3.33 0.16 5.23 0.00 -0.41 -1.14 121.76 127.14 1ppf s ALA 227 Ca 0.54 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.81 1ppf s ALA 227 Cb -0.15 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1ppf s ALA 227 CO 0.20 0.34 -0.08 -0.06 0.00 0.00 0.00 175.76 176.16 1ppf s PHE 228 N -0.10 2.69 0.11 0.00 0.40 0.16 -1.25 117.98 119.99 1ppf s PHE 228 Ca 0.05 -0.19 -0.30 0.00 -0.60 0.00 0.00 56.93 55.89 1ppf s PHE 228 Cb -0.12 -1.33 -0.06 0.00 0.51 0.00 0.00 43.02 42.01 1ppf s PHE 228 CO 0.02 0.49 1.12 0.00 0.70 0.00 0.00 175.22 177.55 1ppf s ALA 229 N -1.60 3.34 -0.93 5.36 0.00 0.95 -1.69 121.76 127.19 1ppf s ALA 229 Ca 0.25 0.78 -0.22 0.00 0.00 0.00 0.00 51.96 52.77 1ppf s ALA 229 Cb -0.09 -3.38 0.08 0.00 0.00 0.00 0.00 23.12 19.72 1ppf s ALA 229 CO 0.15 -0.29 1.27 -1.25 0.00 0.00 0.00 175.76 175.65 1ppf s PRO 230 N 0.37 3.52 0.34 0.00 0.04 -1.26 -1.43 135.00 136.58 1ppf s PRO 230 Ca 0.53 -1.27 0.12 0.00 0.04 0.00 0.00 61.00 60.42 1ppf s PRO 230 Cb -0.28 -5.00 0.93 0.00 0.04 0.00 0.00 34.50 30.19 1ppf s PRO 230 CO 0.32 -2.01 1.76 0.28 0.04 0.00 0.00 177.00 177.39 1ppf h VAL 231 N 6.31 0.58 0.00 -0.36 2.07 -1.61 -0.88 116.25 122.36 1ppf h VAL 231 Ca 0.10 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1ppf h VAL 231 Cb 1.02 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1ppf h VAL 231 CO 1.28 0.10 0.03 0.00 0.02 0.00 0.00 177.57 179.00 1ppf h ALA 232 N 1.67 1.03 -0.00 1.67 0.00 -1.84 0.36 119.26 122.15 1ppf h ALA 232 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1ppf h ALA 232 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ppf h ALA 232 CO -0.39 -0.03 -0.01 1.04 0.00 0.00 0.00 179.25 179.86 1ppf n GLN 233 N -2.80 0.11 0.00 0.00 6.02 -0.33 0.98 117.38 121.36 1ppf n GLN 233 Ca -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1ppf n GLN 233 Cb 0.09 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.85 1ppf n GLN 233 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ppf n PHE 234 N -1.44 0.00 -0.26 1.08 3.72 0.13 -4.82 117.46 115.85 1ppf n PHE 234 Ca 0.09 -0.37 -0.05 0.00 -0.05 0.00 0.00 57.45 57.06 1ppf n PHE 234 Cb 0.32 -0.04 0.06 0.00 -0.94 0.00 0.00 39.48 38.88 1ppf n PHE 234 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1ppf h VAL 235 N 0.47 1.21 -0.87 -4.37 2.07 -1.62 0.32 116.25 113.46 1ppf h VAL 235 Ca 0.00 -0.49 0.12 0.00 0.82 0.00 0.00 66.70 67.14 1ppf h VAL 235 Cb 0.53 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 1ppf h VAL 235 CO 0.00 0.23 0.49 0.78 0.02 0.00 0.00 177.57 179.09 1ppf h ASN 236 N 1.00 0.68 -0.06 0.57 2.35 -1.89 0.37 115.58 118.59 1ppf h ASN 236 Ca 0.26 0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.91 1ppf h ASN 236 Cb -0.01 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1ppf h ASN 236 CO -0.05 0.35 -0.53 -0.25 -1.65 0.00 0.00 177.43 175.31 1ppf h TRP 237 N 0.78 0.80 -0.77 1.19 7.01 -1.64 -2.14 115.95 121.18 1ppf h TRP 237 Ca 0.44 -0.28 -0.05 0.00 2.11 0.00 0.00 58.89 61.11 1ppf h TRP 237 Cb 0.49 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 1ppf h TRP 237 CO -0.06 1.03 0.27 0.82 -2.79 0.00 0.00 178.44 177.72 1ppf h ILE 238 N 0.50 1.26 -0.37 2.65 2.04 0.75 -2.63 117.51 121.72 1ppf h ILE 238 Ca 0.01 -0.87 -0.11 0.00 1.00 0.00 0.00 64.86 64.90 1ppf h ILE 238 Cb 1.08 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1ppf h ILE 238 CO 0.10 0.35 -0.22 0.44 0.00 0.00 0.00 178.15 178.82 1ppf h ASP 239 N 1.13 0.72 0.16 1.72 3.32 -0.27 -0.52 116.42 122.68 1ppf h ASP 239 Ca 0.25 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ppf h ASP 239 Cb 0.26 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1ppf h ASP 239 CO -0.01 0.93 0.00 0.77 -1.72 0.00 0.00 179.24 179.20 1ppf h SER 240 N 0.63 0.00 0.00 6.45 4.64 -1.00 -2.15 113.55 122.11 1ppf h SER 240 Ca 0.09 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.13 1ppf h SER 240 Cb 0.71 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.76 1ppf h SER 240 CO 0.05 0.00 -1.69 -0.38 -0.87 0.00 0.00 176.83 173.95 1ppf n ILE 241 N -2.47 1.52 1.35 0.95 5.41 -0.34 -4.65 119.36 121.14 1ppf n ILE 241 Ca -0.01 -0.13 0.13 0.00 1.00 0.00 0.00 62.75 63.74 1ppf n ILE 241 Cb 0.08 -2.05 0.41 0.00 -0.71 0.00 0.00 39.64 37.37 1ppf n ILE 241 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1ppf n ILE 242 N -4.38 0.01 0.00 1.39 -5.35 -0.43 -5.14 119.36 105.46 1ppf n ILE 242 Ca -0.37 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 1ppf n ILE 242 Cb 0.70 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 1ppf n ILE 242 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46