#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1owe s ILE 2 N 0.00 4.84 0.00 1.39 -1.09 -0.66 -4.04 121.20 121.64 1owe s ILE 2 Ca 0.00 1.88 0.00 0.00 -2.23 0.00 0.00 60.65 60.30 1owe s ILE 2 Cb 0.00 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 1owe s ILE 2 CO 0.00 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.37 1owe n GLY 3 N 3.17 0.35 7.00 6.18 0.00 -1.26 -2.14 105.19 118.49 1owe n GLY 3 Ca 0.06 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1owe n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1owe n GLY 4 N 0.00 -0.00 3.04 -0.02 0.00 -1.26 -4.91 105.19 102.04 1owe n GLY 4 Ca 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 1owe n GLY 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1owe s GLU 5 N 0.00 0.42 0.54 1.61 -1.05 -0.45 -5.00 118.70 114.77 1owe s GLU 5 Ca 0.00 -0.68 -0.20 0.00 -0.15 0.00 0.00 54.97 53.94 1owe s GLU 5 Cb 0.00 0.16 -0.05 0.00 -0.44 0.00 0.00 34.13 33.79 1owe s GLU 5 CO 0.00 -0.08 1.20 -0.06 0.95 0.00 0.00 175.26 177.26 1owe s PHE 6 N -1.96 2.57 0.35 4.83 0.40 -1.26 -1.67 117.98 121.24 1owe s PHE 6 Ca -0.11 1.51 -0.06 0.00 -0.60 0.00 0.00 56.93 57.67 1owe s PHE 6 Cb -0.06 -3.45 0.01 0.00 0.51 0.00 0.00 43.02 40.03 1owe s PHE 6 CO -0.02 -1.97 0.55 -0.08 0.70 0.00 0.00 175.22 174.40 1owe s THR 7 N -1.58 0.00 0.26 0.64 -1.32 -0.70 -4.85 115.64 108.09 1owe s THR 7 Ca 0.72 -1.45 0.03 0.00 -1.21 0.00 0.00 61.69 59.78 1owe s THR 7 Cb -0.30 -2.68 -0.05 0.00 -1.51 0.00 0.00 72.50 67.96 1owe s THR 7 CO 0.34 0.00 0.04 0.42 -2.21 0.00 0.00 174.62 173.21 1owe s THR 8 N -2.91 0.94 0.30 5.08 -4.23 -1.26 -4.27 115.64 109.29 1owe s THR 8 Ca 0.27 -2.01 0.28 0.00 -1.18 0.00 0.00 61.69 59.04 1owe s THR 8 Cb -0.02 -2.54 0.30 0.00 1.34 0.00 0.00 72.50 71.58 1owe s THR 8 CO 0.18 -0.15 2.00 -0.29 -0.54 0.00 0.00 174.62 175.82 1owe h ILE 9 N 2.36 0.45 0.00 2.99 6.09 -1.86 -2.06 117.51 125.48 1owe h ILE 9 Ca -0.39 -0.68 -0.01 0.00 -1.37 0.00 0.00 64.86 62.41 1owe h ILE 9 Cb 1.23 1.48 -0.00 0.00 0.47 0.00 0.00 36.82 40.00 1owe h ILE 9 CO 0.65 0.13 -0.04 1.05 -3.07 0.00 0.00 178.15 176.87 1owe h GLU 10 N 0.00 0.00 -0.00 2.19 4.11 -1.88 -2.29 114.58 116.71 1owe h GLU 10 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1owe h GLU 10 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1owe h GLU 10 CO 0.02 0.04 -0.42 0.09 0.07 0.00 0.00 179.01 178.80 1owe n ASN 11 N -3.39 0.78 -3.13 3.06 5.03 -0.77 -4.40 115.26 112.44 1owe n ASN 11 Ca -0.02 -0.59 -0.20 0.00 0.87 0.00 0.00 54.58 54.64 1owe n ASN 11 Cb 0.15 0.25 -0.03 0.00 -1.02 0.00 0.00 39.78 39.13 1owe n ASN 11 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1owe n GLN 12 N -1.11 1.55 0.00 3.52 3.00 -0.88 -5.00 117.38 118.46 1owe n GLN 12 Ca 0.08 -3.76 0.08 0.00 -0.01 0.00 0.00 57.00 53.40 1owe n GLN 12 Cb 0.34 -1.84 0.43 0.00 0.00 0.00 0.00 30.24 29.17 1owe n GLN 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1owe n PRO 13 N 0.15 0.26 0.00 -1.09 -0.04 -1.12 -1.26 135.00 131.90 1owe n PRO 13 Ca 0.27 0.12 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 1owe n PRO 13 Cb 0.59 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.91 1owe n PRO 13 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1owe n TRP 14 N -1.27 0.00 -2.49 0.54 2.14 -1.17 -1.64 117.44 113.54 1owe n TRP 14 Ca 0.08 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.23 1owe n TRP 14 Cb 0.13 -0.18 -0.03 0.00 -0.81 0.00 0.00 31.31 30.42 1owe n TRP 14 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1owe s PHE 15 N -2.68 3.44 -0.10 -2.67 5.36 -0.39 -0.80 117.98 120.14 1owe s PHE 15 Ca 0.20 1.38 -0.01 0.00 -0.96 0.00 0.00 56.93 57.53 1owe s PHE 15 Cb 0.19 -3.35 -0.03 0.00 -0.34 0.00 0.00 43.02 39.48 1owe s PHE 15 CO 0.58 -1.00 -0.04 0.00 -1.46 0.00 0.00 175.22 173.30 1owe s ALA 16 N 1.26 3.08 -0.30 11.12 0.00 0.17 -4.40 121.76 132.70 1owe s ALA 16 Ca 0.57 -0.84 -0.08 0.00 0.00 0.00 0.00 51.96 51.60 1owe s ALA 16 Cb -0.27 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.45 1owe s ALA 16 CO 0.27 0.47 0.11 0.00 0.00 0.00 0.00 175.76 176.62 1owe s ALA 17 N -0.48 3.17 -0.22 0.00 0.00 -0.73 -1.02 121.76 122.48 1owe s ALA 17 Ca 0.08 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1owe s ALA 17 Cb -0.12 -2.24 0.03 0.00 0.00 0.00 0.00 23.12 20.78 1owe s ALA 17 CO 0.02 -0.87 -0.13 0.42 0.00 0.00 0.00 175.76 175.20 1owe s ILE 18 N 1.56 2.43 0.32 0.00 1.01 -0.52 -0.97 121.20 125.04 1owe s ILE 18 Ca 0.04 -1.06 0.08 0.00 0.00 0.00 0.00 60.65 59.71 1owe s ILE 18 Cb -0.17 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1owe s ILE 18 CO 0.04 0.32 0.14 -0.31 0.00 0.00 0.00 174.94 175.14 1owe s TYR 19 N 1.28 2.76 -0.04 3.97 1.51 -0.52 -0.54 117.35 125.77 1owe s TYR 19 Ca 0.01 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 1owe s TYR 19 Cb -0.15 -1.57 0.01 0.00 -0.11 0.00 0.00 41.96 40.14 1owe s TYR 19 CO -0.08 0.38 -0.07 0.50 -1.11 0.00 0.00 175.55 175.17 1owe s ARG 20 N -3.84 1.00 0.05 -0.62 3.52 -0.31 -1.22 118.95 117.53 1owe s ARG 20 Ca 0.37 -0.21 -0.26 0.00 -0.13 0.00 0.00 55.73 55.50 1owe s ARG 20 Cb -0.04 -0.93 -0.05 0.00 -1.56 0.00 0.00 34.95 32.37 1owe s ARG 20 CO 0.23 -0.00 0.79 -0.98 -0.81 0.00 0.00 175.30 174.53 1owe s ARG 21 N 0.63 4.52 0.25 5.12 1.70 -0.06 -2.13 118.95 128.98 1owe s ARG 21 Ca -0.10 1.12 0.05 0.00 -0.47 0.00 0.00 55.73 56.33 1owe s ARG 21 Cb -0.13 -3.37 -0.03 0.00 -0.57 0.00 0.00 34.95 30.85 1owe s ARG 21 CO 0.01 0.26 0.36 -1.01 -1.08 0.00 0.00 175.30 173.84 1owe s HIS 22 N 0.01 3.41 0.24 5.89 3.76 0.49 -4.92 115.29 124.17 1owe s HIS 22 Ca 0.40 -0.04 -0.31 0.00 -0.15 0.00 0.00 55.06 54.96 1owe s HIS 22 Cb -0.21 -1.59 -0.14 0.00 1.11 0.00 0.00 32.58 31.76 1owe s HIS 22 CO 0.24 0.42 1.31 0.54 -0.85 0.00 0.00 174.74 176.40 1owe n ARG 23 N -1.41 1.79 0.00 1.40 1.74 -1.26 -1.12 116.66 117.80 1owe n ARG 23 Ca -0.08 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1owe n ARG 23 Cb 0.57 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 1owe n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1owe n GLY 25 N 1.95 3.43 0.93 -0.13 0.00 -1.26 -4.57 105.19 105.54 1owe n GLY 25 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1owe n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1owe n GLY 27 N -1.87 0.71 3.81 -0.02 0.00 -0.27 -5.06 105.19 102.49 1owe n GLY 27 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1owe n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1owe s SER 28 N -2.75 6.28 -0.04 1.61 1.04 -1.26 -4.79 113.70 113.80 1owe s SER 28 Ca 0.00 1.80 0.04 0.00 0.48 0.00 0.00 55.95 58.27 1owe s SER 28 Cb 0.00 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.58 1owe s SER 28 CO 0.00 -0.82 -0.15 -0.69 0.98 0.00 0.00 173.24 172.55 1owe s VAL 29 N -2.28 1.30 0.05 5.02 1.01 -1.26 -0.38 120.40 123.85 1owe s VAL 29 Ca 0.64 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1owe s VAL 29 Cb -0.14 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1owe s VAL 29 CO 0.27 0.38 -0.07 0.42 0.00 0.00 0.00 175.10 176.09 1owe s THR 30 N 0.06 0.53 0.37 3.92 -4.23 -0.91 -4.98 115.64 110.40 1owe s THR 30 Ca -0.03 -1.17 -0.27 0.00 -1.18 0.00 0.00 61.69 59.04 1owe s THR 30 Cb -0.11 -0.72 -0.09 0.00 1.34 0.00 0.00 72.50 72.93 1owe s THR 30 CO 0.02 -0.45 1.25 -0.47 -0.54 0.00 0.00 174.62 174.43 1owe s TYR 31 N -1.66 3.02 -0.01 3.99 6.14 -1.26 -1.16 117.35 126.40 1owe s TYR 31 Ca -0.08 1.48 -0.03 0.00 0.64 0.00 0.00 57.07 59.08 1owe s TYR 31 Cb -0.08 -3.56 -0.01 0.00 0.42 0.00 0.00 41.96 38.73 1owe s TYR 31 CO -0.00 -1.67 -0.06 0.28 0.64 0.00 0.00 175.55 174.74 1owe n VAL 32 N 0.40 0.41 -3.72 3.14 0.31 0.30 -4.86 118.33 114.32 1owe n VAL 32 Ca 0.02 0.27 -0.09 0.00 -0.01 0.00 0.00 64.34 64.53 1owe n VAL 32 Cb 0.44 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 31.86 1owe n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1owe s GLY 36 N -2.87 1.75 0.33 0.00 0.00 -0.84 -1.43 107.32 104.27 1owe s GLY 36 Ca 0.09 -1.21 -0.10 0.00 0.00 0.00 0.00 44.72 43.49 1owe s GLY 36 CO -0.02 -0.79 0.63 0.61 0.00 0.00 0.00 173.10 173.53 1owe n GLY 37 N -2.78 1.36 2.97 0.20 0.00 -0.19 -3.52 105.19 103.22 1owe n GLY 37 Ca 0.10 -1.30 -0.19 0.00 0.00 0.00 0.00 46.02 44.62 1owe n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1owe s SER 38 N -2.81 1.02 -0.23 1.61 0.01 -0.50 -0.66 113.70 112.14 1owe s SER 38 Ca 0.16 -0.15 -0.29 0.00 1.31 0.00 0.00 55.95 56.98 1owe s SER 38 Cb -0.04 -0.27 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 1owe s SER 38 CO 0.12 0.05 1.31 -0.22 0.41 0.00 0.00 173.24 174.91 1owe s LEU 39 N 0.22 4.02 -0.07 2.44 2.96 0.02 -1.00 118.68 127.28 1owe s LEU 39 Ca -0.03 1.47 0.21 0.00 -0.22 0.00 0.00 54.13 55.56 1owe s LEU 39 Cb -0.08 -3.54 -0.29 0.00 0.50 0.00 0.00 46.19 42.78 1owe s LEU 39 CO 0.00 -0.95 0.40 0.23 -1.32 0.00 0.00 176.35 174.71 1owe n MET 41 N 7.02 0.66 -3.53 1.98 2.81 -0.48 -1.66 117.12 123.92 1owe n MET 41 Ca 0.15 -0.12 -0.08 0.00 -1.81 0.00 0.00 57.70 55.84 1owe n MET 41 Cb 0.46 -1.54 -0.02 0.00 -0.71 0.00 0.00 33.22 31.40 1owe n MET 41 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1owe s SER 43 N -4.88 -0.37 0.33 7.83 1.04 -1.19 -4.78 113.70 111.68 1owe s SER 43 Ca -0.08 -0.07 0.09 0.00 0.48 0.00 0.00 55.95 56.38 1owe s SER 43 Cb 0.11 0.44 0.85 0.00 0.10 0.00 0.00 66.02 67.53 1owe s SER 43 CO 0.88 -0.73 1.78 -0.65 0.98 0.00 0.00 173.24 175.49 1owe h PRO 44 N 2.00 0.63 -0.49 4.02 0.11 -1.95 -1.46 132.00 134.86 1owe h PRO 44 Ca -0.24 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1owe h PRO 44 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1owe h PRO 44 CO 0.31 0.42 0.00 0.00 -0.21 0.00 0.00 178.00 178.52 1owe s TRP 48 N -1.30 1.77 -0.13 0.00 0.52 -0.55 -1.72 118.94 117.53 1owe s TRP 48 Ca 0.41 -0.87 -0.03 0.00 0.02 0.00 0.00 56.10 55.63 1owe s TRP 48 Cb 0.23 -1.34 -0.03 0.00 -1.15 0.00 0.00 33.47 31.18 1owe s TRP 48 CO 0.31 -0.50 -0.02 0.08 0.02 0.00 0.00 176.95 176.84 1owe s VAL 49 N 1.29 4.09 -0.06 4.03 1.01 -0.47 -1.38 120.40 128.91 1owe s VAL 49 Ca -0.01 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1owe s VAL 49 Cb -0.14 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1owe s VAL 49 CO -0.05 0.53 -0.11 -0.51 0.00 0.00 0.00 175.10 174.96 1owe s ILE 50 N -0.13 3.30 0.00 2.22 2.07 -0.17 -0.67 121.20 127.82 1owe s ILE 50 Ca 0.03 -0.63 0.00 0.00 -1.41 0.00 0.00 60.65 58.65 1owe s ILE 50 Cb -0.13 -2.32 0.00 0.00 0.13 0.00 0.00 42.46 40.14 1owe s ILE 50 CO 0.02 0.59 0.00 -0.24 -1.91 0.00 0.00 174.94 173.40 1owe n SER 51 N 2.41 0.24 -4.27 4.50 2.88 -0.13 -1.41 113.62 117.84 1owe n SER 51 Ca -0.17 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.04 1owe n SER 51 Cb 0.52 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.83 1owe n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1owe s ALA 52 N -1.81 2.40 0.49 -1.46 0.00 -1.26 -1.61 121.76 118.51 1owe s ALA 52 Ca 0.00 -0.98 0.16 0.00 0.00 0.00 0.00 51.96 51.13 1owe s ALA 52 Cb 0.00 -1.06 1.17 0.00 0.00 0.00 0.00 23.12 23.23 1owe s ALA 52 CO 0.00 0.15 2.09 1.15 0.00 0.00 0.00 175.76 179.15 1owe h THR 53 N 5.63 1.04 0.00 0.00 2.02 -1.73 -2.31 112.91 117.56 1owe h THR 53 Ca -0.26 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1owe h THR 53 Cb 1.21 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1owe h THR 53 CO 0.53 0.07 0.03 1.12 0.37 0.00 0.00 175.52 177.64 1owe h HIS 54 N 0.00 0.00 0.00 3.16 2.07 -1.93 -1.55 115.15 116.90 1owe h HIS 54 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1owe h HIS 54 Cb 0.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.10 1owe h HIS 54 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1owe n PHE 56 N -2.72 0.00 0.23 0.00 3.72 -0.64 -4.89 117.46 113.17 1owe n PHE 56 Ca 0.03 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.50 1owe n PHE 56 Cb 0.39 0.00 0.55 0.00 -0.94 0.00 0.00 39.48 39.47 1owe n PHE 56 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 1owe h ILE 57 N 0.00 1.02 -0.00 4.37 6.09 -1.59 -1.01 117.51 126.39 1owe h ILE 57 Ca 0.00 -0.64 0.00 0.00 -1.37 0.00 0.00 64.86 62.85 1owe h ILE 57 Cb 0.00 1.35 0.00 0.00 0.47 0.00 0.00 36.82 38.64 1owe h ILE 57 CO 0.00 0.18 -0.34 0.47 -3.07 0.00 0.00 178.15 175.39 1owe n ASP 58 N -4.17 0.40 -3.20 2.19 8.00 -1.26 -4.33 116.55 114.19 1owe n ASP 58 Ca -0.02 -0.11 -0.23 0.00 0.71 0.00 0.00 54.79 55.14 1owe n ASP 58 Cb 0.25 0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 1owe n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1owe n TYR 59 N -1.43 -0.08 0.95 1.24 4.02 -0.40 -5.00 117.16 116.46 1owe n TYR 59 Ca 0.07 -3.64 0.00 0.00 -0.01 0.00 0.00 57.90 54.32 1owe n TYR 59 Cb 0.33 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 1owe n TYR 59 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1owe n PRO 60 N 1.14 0.95 -3.21 -0.72 -0.04 -1.11 -4.82 135.00 127.20 1owe n PRO 60 Ca 0.22 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.28 1owe n PRO 60 Cb 0.55 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.47 1owe n PRO 60 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1owe s LYS 61 N -0.98 4.05 0.53 0.54 1.02 -1.26 -4.93 119.74 118.71 1owe s LYS 61 Ca 0.00 0.34 0.25 0.00 0.02 0.00 0.00 55.97 56.59 1owe s LYS 61 Cb 0.00 -3.66 1.47 0.00 -0.52 0.00 0.00 37.83 35.12 1owe s LYS 61 CO 0.00 -0.39 2.11 1.57 -0.92 0.00 0.00 175.35 177.72 1owe h LYS 62 N 8.02 0.00 0.00 1.68 2.10 -1.89 -2.62 116.57 123.87 1owe h LYS 62 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1owe h LYS 62 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1owe h LYS 62 CO 0.73 0.10 0.00 0.39 -2.00 0.00 0.00 179.45 178.67 1owe n GLU 63 N -3.84 0.08 0.07 0.07 4.71 -1.26 -2.74 120.64 117.73 1owe n GLU 63 Ca -0.02 0.30 0.13 0.00 -0.01 0.00 0.00 57.16 57.55 1owe n GLU 63 Cb 0.19 -1.64 0.31 0.00 -1.01 0.00 0.00 31.44 29.29 1owe n GLU 63 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1owe n ASP 65 N -1.78 0.70 -4.87 1.62 10.43 -0.99 -4.89 116.55 116.77 1owe n ASP 65 Ca 0.03 0.32 -0.34 0.00 2.57 0.00 0.00 54.79 57.37 1owe n ASP 65 Cb 0.20 -0.30 -0.05 0.00 1.84 0.00 0.00 41.12 42.81 1owe n ASP 65 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1owe s TYR 67 N -3.12 3.57 -0.11 1.24 2.02 -1.11 -0.88 117.35 118.97 1owe s TYR 67 Ca 0.09 0.77 0.03 0.00 -0.37 0.00 0.00 57.07 57.59 1owe s TYR 67 Cb 0.13 -2.15 0.00 0.00 -0.40 0.00 0.00 41.96 39.55 1owe s TYR 67 CO 0.65 0.51 -0.23 0.42 -1.57 0.00 0.00 175.55 175.34 1owe s ILE 68 N -1.42 2.14 -0.11 2.71 1.01 -0.35 -4.29 121.20 120.88 1owe s ILE 68 Ca 0.34 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1owe s ILE 68 Cb -0.14 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1owe s ILE 68 CO 0.18 0.56 -0.23 -0.69 0.00 0.00 0.00 174.94 174.76 1owe s VAL 69 N 0.41 2.13 -0.05 2.92 1.01 -0.18 -1.43 120.40 125.21 1owe s VAL 69 Ca -0.17 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.85 1owe s VAL 69 Cb -0.17 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1owe s VAL 69 CO 0.07 0.55 -0.08 -0.31 0.00 0.00 0.00 175.10 175.33 1owe s TYR 70 N 0.49 2.88 0.16 5.22 1.51 -0.14 0.09 117.35 127.55 1owe s TYR 70 Ca -0.15 -0.02 0.09 0.00 -1.01 0.00 0.00 57.07 55.97 1owe s TYR 70 Cb -0.17 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1owe s TYR 70 CO 0.06 0.31 -0.10 -0.51 -1.11 0.00 0.00 175.55 174.19 1owe s LEU 71 N -0.90 2.95 0.00 -1.29 1.43 -0.40 -1.77 118.68 118.72 1owe s LEU 71 Ca 0.13 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1owe s LEU 71 Cb -0.11 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1owe s LEU 71 CO 0.02 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1owe n GLY 72 N 0.21 0.47 3.74 -3.19 0.00 -1.25 -1.38 105.19 103.80 1owe n GLY 72 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1owe n GLY 72 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1owe s ARG 73 N -0.34 4.16 -0.01 1.61 3.52 -1.26 -4.05 118.95 122.59 1owe s ARG 73 Ca 0.00 0.01 0.12 0.00 -0.13 0.00 0.00 55.73 55.73 1owe s ARG 73 Cb 0.00 -3.40 -0.16 0.00 -1.56 0.00 0.00 34.95 29.83 1owe s ARG 73 CO 0.00 0.32 0.37 0.43 -0.81 0.00 0.00 175.30 175.61 1owe n SER 74 N 3.36 1.45 -4.09 -2.12 7.64 -1.26 -4.65 113.62 113.95 1owe n SER 74 Ca -0.14 -0.36 -0.15 0.00 1.01 0.00 0.00 58.87 59.23 1owe n SER 74 Cb 0.52 1.30 -0.12 0.00 -1.01 0.00 0.00 64.21 64.90 1owe n SER 74 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1owe s ARG 76 N -2.50 0.62 0.24 1.43 0.52 -1.26 -2.14 118.95 115.86 1owe s ARG 76 Ca -0.00 -0.79 -0.00 0.00 -0.52 0.00 0.00 55.73 54.42 1owe s ARG 76 Cb 0.08 -0.48 0.28 0.00 0.52 0.00 0.00 34.95 35.36 1owe s ARG 76 CO 0.49 0.10 1.64 1.25 0.02 0.00 0.00 175.30 178.81 1owe h LEU 78 N 4.53 0.57 -4.45 2.53 5.85 -1.36 -3.26 115.31 119.72 1owe h LEU 78 Ca -0.37 -0.23 -0.41 0.00 0.84 0.00 0.00 57.88 57.72 1owe h LEU 78 Cb 1.20 -0.16 -0.41 0.00 0.37 0.00 0.00 40.66 41.66 1owe h LEU 78 CO 0.41 0.86 -0.95 0.59 -0.34 0.00 0.00 178.44 179.02 1owe n ASN 79 N -4.07 3.41 -3.50 1.25 3.02 -1.26 -5.04 115.26 109.06 1owe n ASN 79 Ca -0.01 -2.99 -0.11 0.00 -0.03 0.00 0.00 54.58 51.43 1owe n ASN 79 Cb 0.47 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1owe n ASN 79 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1owe s SER 80 N -3.67 -0.45 -0.80 6.41 1.04 -1.23 -5.09 113.70 109.90 1owe s SER 80 Ca 0.40 -0.13 -0.20 0.00 0.48 0.00 0.00 55.95 56.51 1owe s SER 80 Cb 0.37 0.56 0.10 0.00 0.10 0.00 0.00 66.02 67.16 1owe s SER 80 CO 0.00 -0.94 1.04 0.20 0.98 0.00 0.00 173.24 174.52 1owe s ASN 81 N -2.77 6.42 0.20 7.02 0.01 -1.26 -4.61 114.94 119.94 1owe s ASN 81 Ca 0.02 -1.59 -0.31 0.00 -0.71 0.00 0.00 52.86 50.27 1owe s ASN 81 Cb -0.00 -2.40 -0.10 0.00 0.41 0.00 0.00 41.25 39.15 1owe s ASN 81 CO -0.12 -1.22 1.55 -0.89 -1.51 0.00 0.00 177.10 174.91 1owe s THR 82 N 3.24 2.55 0.25 1.60 2.01 -1.26 -4.92 115.64 119.11 1owe s THR 82 Ca 0.27 0.41 -0.31 0.00 0.31 0.00 0.00 61.69 62.37 1owe s THR 82 Cb -0.11 -3.26 -0.12 0.00 0.01 0.00 0.00 72.50 69.02 1owe s THR 82 CO -0.01 0.04 1.68 0.00 -0.69 0.00 0.00 174.62 175.64 1owe n GLN 83 N 3.46 2.78 -0.28 4.92 -0.00 -1.26 -1.59 117.38 125.41 1owe n GLN 83 Ca 0.12 1.00 0.00 0.00 -0.00 0.00 0.00 57.00 58.12 1owe n GLN 83 Cb 0.39 -2.82 0.00 0.00 -0.00 0.00 0.00 30.24 27.80 1owe n GLN 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1owe n GLY 84 N 3.22 0.76 3.81 2.61 0.00 -1.26 -5.01 105.19 109.30 1owe n GLY 84 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1owe n GLY 84 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1owe s GLU 85 N -0.64 1.73 -0.04 1.61 -1.05 -0.62 -4.80 118.70 114.89 1owe s GLU 85 Ca 0.00 0.45 0.02 0.00 -0.15 0.00 0.00 54.97 55.29 1owe s GLU 85 Cb 0.00 -1.89 0.01 0.00 -0.44 0.00 0.00 34.13 31.81 1owe s GLU 85 CO 0.00 -1.83 -0.08 -1.64 0.95 0.00 0.00 175.26 172.67 1owe s MET 86 N -5.25 0.98 0.00 -4.83 -1.94 -0.48 -5.00 119.30 102.79 1owe s MET 86 Ca 0.62 -0.24 0.01 0.00 -1.71 0.00 0.00 55.69 54.37 1owe s MET 86 Cb -0.14 -0.91 -0.04 0.00 2.01 0.00 0.00 34.83 35.75 1owe s MET 86 CO 0.53 0.04 0.02 0.21 -0.01 0.00 0.00 175.02 175.80 1owe s LYS 87 N 0.48 2.82 0.05 2.03 2.20 -1.26 -1.27 119.74 124.80 1owe s LYS 87 Ca -0.07 -0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 54.90 1owe s LYS 87 Cb -0.11 -2.70 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 1owe s LYS 87 CO 0.01 0.62 0.04 -0.06 -0.36 0.00 0.00 175.35 175.60 1owe s PHE 88 N -1.12 0.36 0.38 4.03 0.40 0.11 -4.65 117.98 117.49 1owe s PHE 88 Ca 0.21 -0.81 0.08 0.00 -0.60 0.00 0.00 56.93 55.80 1owe s PHE 88 Cb -0.12 -0.26 -0.02 0.00 0.51 0.00 0.00 43.02 43.13 1owe s PHE 88 CO 0.11 -0.39 0.35 -1.21 0.70 0.00 0.00 175.22 174.78 1owe s GLU 89 N -3.42 2.62 -0.38 0.44 2.02 -0.63 -1.02 118.70 118.34 1owe s GLU 89 Ca 0.02 -1.43 -0.11 0.00 0.02 0.00 0.00 54.97 53.48 1owe s GLU 89 Cb 0.04 -2.43 0.03 0.00 0.10 0.00 0.00 34.13 31.87 1owe s GLU 89 CO -0.08 -0.07 0.21 0.08 0.02 0.00 0.00 175.26 175.41 1owe s VAL 90 N -2.40 4.57 0.19 2.63 1.01 -1.26 -1.04 120.40 124.10 1owe s VAL 90 Ca 0.45 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1owe s VAL 90 Cb -0.04 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1owe s VAL 90 CO 0.27 -0.24 1.46 -0.08 0.00 0.00 0.00 175.10 176.51 1owe h GLU 91 N 8.44 0.31 -2.55 2.72 4.81 -0.92 -3.43 114.58 123.95 1owe h GLU 91 Ca -0.25 -0.26 -0.14 0.00 -0.13 0.00 0.00 59.36 58.58 1owe h GLU 91 Cb 1.10 0.06 -0.29 0.00 0.63 0.00 0.00 28.75 30.24 1owe h GLU 91 CO 0.67 0.91 -0.43 1.21 -0.73 0.00 0.00 179.01 180.63 1owe s ASN 92 N -6.94 0.01 -0.35 1.04 3.84 -1.18 -4.97 114.94 106.40 1owe s ASN 92 Ca -0.05 0.77 -0.13 0.00 0.21 0.00 0.00 52.86 53.66 1owe s ASN 92 Cb 0.11 1.11 -0.01 0.00 -0.55 0.00 0.00 41.25 41.91 1owe s ASN 92 CO 0.83 -0.24 0.25 -0.22 -2.79 0.00 0.00 177.10 174.92 1owe s LEU 93 N 2.54 4.62 -0.26 3.21 2.96 -1.26 -0.95 118.68 129.55 1owe s LEU 93 Ca 0.01 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1owe s LEU 93 Cb -0.12 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.44 1owe s LEU 93 CO -0.12 -0.27 -0.03 -0.63 -1.32 0.00 0.00 176.35 173.98 1owe s ILE 94 N 1.72 3.13 -0.03 6.68 1.01 0.36 -5.01 121.20 129.05 1owe s ILE 94 Ca 0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 1owe s ILE 94 Cb -0.18 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1owe s ILE 94 CO 0.10 0.16 0.13 -0.76 0.00 0.00 0.00 174.94 174.58 1owe s LEU 95 N 1.36 4.16 0.10 2.97 1.43 -1.26 -1.30 118.68 126.14 1owe s LEU 95 Ca 0.01 0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 53.09 1owe s LEU 95 Cb -0.17 -2.34 -0.08 0.00 0.03 0.00 0.00 46.19 43.63 1owe s LEU 95 CO -0.03 0.30 1.50 -2.28 0.23 0.00 0.00 176.35 176.08 1owe s HIS 96 N -1.19 2.94 0.56 0.29 5.65 -1.18 -4.90 115.29 117.44 1owe s HIS 96 Ca 0.22 0.69 0.34 0.00 0.25 0.00 0.00 55.06 56.57 1owe s HIS 96 Cb -0.12 -3.81 1.92 0.00 -1.18 0.00 0.00 32.58 29.38 1owe s HIS 96 CO 0.13 -3.02 2.24 1.57 -0.65 0.00 0.00 174.74 175.02 1owe h LYS 97 N 7.34 0.00 -0.49 2.88 2.10 -1.94 -0.50 116.57 125.97 1owe h LYS 97 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1owe h LYS 97 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1owe h LYS 97 CO 0.90 0.02 0.00 -0.25 -2.00 0.00 0.00 179.45 178.12 1owe n ASP 98 N -3.54 4.19 -4.70 7.07 8.00 -1.26 -4.99 116.55 121.32 1owe n ASP 98 Ca -0.03 -2.50 -0.41 0.00 0.71 0.00 0.00 54.79 52.56 1owe n ASP 98 Cb 0.12 -0.50 0.01 0.00 -0.02 0.00 0.00 41.12 40.73 1owe n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1owe n TYR 99 N 0.58 2.10 -3.61 1.24 4.19 -0.20 -4.61 117.16 116.85 1owe n TYR 99 Ca 0.22 0.50 -0.10 0.00 3.31 0.00 0.00 57.90 61.83 1owe n TYR 99 Cb 0.80 -2.37 -0.03 0.00 0.49 0.00 0.00 39.34 38.23 1owe n TYR 99 CO 0.00 0.00 0.00 -1.54 0.91 0.00 0.00 176.86 176.23 1owe s SER 100 N -0.54 -0.40 -0.10 2.98 1.04 -0.69 -4.98 113.70 111.01 1owe s SER 100 Ca 0.61 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.77 1owe s SER 100 Cb -0.51 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.24 1owe s SER 100 CO 0.58 -1.07 -0.10 0.00 0.98 0.00 0.00 173.24 173.63 1owe s ALA 101 N -3.82 1.35 0.33 5.32 0.00 -1.26 -0.13 121.76 123.55 1owe s ALA 101 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1owe s ALA 101 Cb -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1owe s ALA 101 CO -0.06 -0.20 0.00 -0.25 0.00 0.00 0.00 175.76 175.25 1owe n ASP 102 N 4.47 0.00 -0.31 0.00 9.92 0.35 -5.01 116.55 125.96 1owe n ASP 102 Ca -0.17 -0.95 0.01 0.00 -0.53 0.00 0.00 54.79 53.14 1owe n ASP 102 Cb 0.51 0.00 0.14 0.00 -0.64 0.00 0.00 41.12 41.13 1owe n ASP 102 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1owe h THR 103 N -0.32 1.05 0.00 -3.53 2.02 -2.03 -3.38 112.91 106.73 1owe h THR 103 Ca 0.00 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1owe h THR 103 Cb 0.00 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.38 1owe h THR 103 CO 0.00 0.18 -0.51 0.18 0.37 0.00 0.00 175.52 175.75 1owe n LEU 104 N -4.61 0.98 -4.76 2.58 4.77 -1.26 -5.08 117.00 109.62 1owe n LEU 104 Ca 0.12 0.14 -0.40 0.00 -0.03 0.00 0.00 56.01 55.84 1owe n LEU 104 Cb 0.17 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.90 1owe n LEU 104 CO 0.31 -0.44 0.85 0.00 -1.33 0.00 0.00 177.39 176.79 1owe s ALA 105 N -2.13 3.44 -0.07 -1.18 0.00 -1.26 -4.74 121.76 115.81 1owe s ALA 105 Ca -0.05 1.02 0.02 0.00 0.00 0.00 0.00 51.96 52.94 1owe s ALA 105 Cb 0.01 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1owe s ALA 105 CO 0.08 -0.32 -0.09 -1.01 0.00 0.00 0.00 175.76 174.42 1owe s HIS 106 N -1.15 2.86 0.03 0.00 3.76 -1.26 -0.50 115.29 119.03 1owe s HIS 106 Ca 0.46 -0.06 0.08 0.00 -0.15 0.00 0.00 55.06 55.39 1owe s HIS 106 Cb -0.34 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.62 1owe s HIS 106 CO 0.45 0.27 -0.24 -1.01 -0.85 0.00 0.00 174.74 173.36 1owe s HIS 107 N -0.73 2.40 -1.49 1.40 3.76 0.81 -4.61 115.29 116.83 1owe s HIS 107 Ca 0.11 -0.37 -0.07 0.00 -0.15 0.00 0.00 55.06 54.59 1owe s HIS 107 Cb -0.11 -1.44 0.05 0.00 1.11 0.00 0.00 32.58 32.19 1owe s HIS 107 CO 0.01 0.13 0.64 0.09 -0.85 0.00 0.00 174.74 174.76 1owe n ASN 108 N 1.86 -1.88 -4.52 1.40 3.02 -1.26 -1.70 115.26 112.18 1owe n ASN 108 Ca -0.17 -0.95 -0.43 0.00 -0.03 0.00 0.00 54.58 53.00 1owe n ASN 108 Cb 0.52 -3.24 -0.00 0.00 -0.61 0.00 0.00 39.78 36.45 1owe n ASN 108 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1owe s ASP 109 N -3.93 6.92 -0.22 6.41 3.68 -1.26 -4.32 116.67 123.94 1owe s ASP 109 Ca 0.29 -2.62 -0.22 0.00 2.13 0.00 0.00 52.55 52.12 1owe s ASP 109 Cb -0.16 -2.48 0.06 0.00 -1.45 0.00 0.00 42.92 38.89 1owe s ASP 109 CO 0.88 -0.98 0.63 -0.51 0.13 0.00 0.00 175.17 175.32 1owe s ILE 110 N 2.93 0.00 0.06 4.11 2.07 -1.26 -4.19 121.20 124.93 1owe s ILE 110 Ca 0.47 -0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.62 1owe s ILE 110 Cb 0.00 -0.88 -0.00 0.00 0.13 0.00 0.00 42.46 41.70 1owe s ILE 110 CO 0.02 -0.00 0.17 0.00 -1.91 0.00 0.00 174.94 173.22 1owe s ALA 111 N 0.23 -0.23 -0.05 1.50 0.00 -0.63 -3.12 121.76 119.47 1owe s ALA 111 Ca -0.01 -0.51 0.05 0.00 0.00 0.00 0.00 51.96 51.49 1owe s ALA 111 Cb -0.04 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 1owe s ALA 111 CO 0.01 -0.43 -0.20 -0.51 0.00 0.00 0.00 175.76 174.64 1owe s LEU 112 N -2.50 1.98 -0.22 0.00 1.43 -0.42 -0.96 118.68 117.99 1owe s LEU 112 Ca 0.00 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1owe s LEU 112 Cb 0.02 -1.11 0.04 0.00 0.03 0.00 0.00 46.19 45.18 1owe s LEU 112 CO -0.08 0.19 -0.13 -0.76 0.23 0.00 0.00 176.35 175.81 1owe s LEU 113 N -0.07 2.63 -0.14 1.79 1.02 0.15 -0.49 118.68 123.58 1owe s LEU 113 Ca -0.03 -1.01 -0.25 0.00 0.02 0.00 0.00 54.13 52.86 1owe s LEU 113 Cb -0.12 -1.39 -0.02 0.00 0.02 0.00 0.00 46.19 44.68 1owe s LEU 113 CO 0.02 -0.13 0.82 -0.75 0.02 0.00 0.00 176.35 176.33 1owe s LYS 114 N 1.28 4.34 -0.03 1.70 2.20 -0.12 -1.37 119.74 127.74 1owe s LYS 114 Ca -0.02 1.02 -0.01 0.00 -0.36 0.00 0.00 55.97 56.60 1owe s LYS 114 Cb -0.17 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 1owe s LYS 114 CO -0.08 -0.24 0.04 0.96 -0.36 0.00 0.00 175.35 175.67 1owe s ILE 115 N 1.82 4.47 -0.03 5.43 -4.36 -0.70 -0.21 121.20 127.61 1owe s ILE 115 Ca 0.39 -0.39 -0.07 0.00 -0.26 0.00 0.00 60.65 60.32 1owe s ILE 115 Cb -0.17 -2.97 0.01 0.00 1.25 0.00 0.00 42.46 40.58 1owe s ILE 115 CO 0.15 0.45 0.17 0.00 0.24 0.00 0.00 174.94 175.95 1owe s ARG 116 N -1.39 0.37 0.98 0.37 1.70 -0.21 -4.51 118.95 116.26 1owe s ARG 116 Ca 0.18 -0.06 -0.16 0.00 -0.47 0.00 0.00 55.73 55.22 1owe s ARG 116 Cb -0.12 0.16 0.21 0.00 -0.57 0.00 0.00 34.95 34.64 1owe s ARG 116 CO 0.09 -0.08 1.32 -1.54 -1.08 0.00 0.00 175.30 174.01 1owe s SER 117 N -0.66 2.91 0.43 -2.89 1.04 0.63 -1.61 113.70 113.56 1owe s SER 117 Ca -0.07 0.26 0.30 0.00 0.48 0.00 0.00 55.95 56.92 1owe s SER 117 Cb -0.04 -0.29 1.35 0.00 0.10 0.00 0.00 66.02 67.13 1owe s SER 117 CO 0.01 -2.86 1.90 0.11 0.98 0.00 0.00 173.24 173.38 1owe h LYS 118 N -1.73 0.00 -0.01 4.02 1.79 -1.91 -1.16 116.57 117.57 1owe h LYS 118 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1owe h LYS 118 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1owe h LYS 118 CO 0.36 0.00 -0.19 0.39 -1.08 0.00 0.00 179.45 178.93 1owe n GLU 119 N -2.67 0.86 -0.22 3.15 4.71 -1.26 -4.94 120.64 120.26 1owe n GLU 119 Ca 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 57.16 56.70 1owe n GLU 119 Cb 0.21 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.15 1owe n GLU 119 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1owe n GLY 120 N 1.31 0.87 3.85 0.62 0.00 -0.44 -5.08 105.19 106.32 1owe n GLY 120 Ca 0.13 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1owe n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1owe s ARG 121 N -0.54 3.13 0.78 1.61 0.52 -1.26 -4.73 118.95 118.47 1owe s ARG 121 Ca 0.00 -0.67 -0.08 0.00 -0.52 0.00 0.00 55.73 54.46 1owe s ARG 121 Cb 0.00 -2.82 0.17 0.00 0.52 0.00 0.00 34.95 32.81 1owe s ARG 121 CO 0.00 0.54 1.07 0.00 0.02 0.00 0.00 175.30 176.93 1owe s ALA 123 N -3.55 2.93 -0.47 0.00 0.00 -0.38 -4.84 121.76 115.45 1owe s ALA 123 Ca 0.65 1.09 -0.15 0.00 0.00 0.00 0.00 51.96 53.54 1owe s ALA 123 Cb -0.03 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.71 1owe s ALA 123 CO 0.44 -0.91 0.39 -1.14 0.00 0.00 0.00 175.76 174.54 1owe s GLN 124 N -2.75 2.96 0.53 0.00 2.00 -1.26 -4.80 119.66 116.34 1owe s GLN 124 Ca 0.66 -1.35 -0.20 0.00 -2.00 0.00 0.00 55.36 52.47 1owe s GLN 124 Cb -0.33 -4.12 -0.08 0.00 0.80 0.00 0.00 33.01 29.29 1owe s GLN 124 CO 0.40 -1.02 0.86 -2.30 -0.50 0.00 0.00 175.29 172.73 1owe n PRO 125 N 5.19 0.94 -0.60 1.67 -0.02 -1.26 -4.85 135.00 136.07 1owe n PRO 125 Ca -0.12 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1owe n PRO 125 Cb 0.44 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1owe n PRO 125 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1owe n SER 126 N 0.01 0.00 0.19 2.55 3.41 0.02 -4.93 113.62 114.86 1owe n SER 126 Ca 0.12 -0.45 0.03 0.00 -0.26 0.00 0.00 58.87 58.30 1owe n SER 126 Cb 0.44 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.76 1owe n SER 126 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1owe h ARG 127 N 0.00 0.00 -0.03 4.33 2.43 -2.00 -3.13 114.38 115.99 1owe h ARG 127 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1owe h ARG 127 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1owe h ARG 127 CO 0.00 0.36 0.00 0.25 -1.51 0.00 0.00 179.97 179.07 1owe n THR 128 N -4.06 0.05 -3.81 0.20 -2.24 -1.26 -4.83 114.28 98.34 1owe n THR 128 Ca -0.02 -0.52 -0.28 0.00 -2.27 0.00 0.00 64.05 60.95 1owe n THR 128 Cb 0.41 1.18 -0.16 0.00 -2.10 0.00 0.00 70.33 69.65 1owe n THR 128 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1owe s ILE 129 N -0.87 0.85 0.12 2.28 1.01 -1.18 -3.84 121.20 119.57 1owe s ILE 129 Ca 0.13 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 1owe s ILE 129 Cb 0.09 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 1owe s ILE 129 CO 0.13 -0.14 0.20 -1.10 0.00 0.00 0.00 174.94 174.03 1owe s GLN 130 N 1.71 0.95 0.59 2.79 -1.52 -0.65 -0.80 119.66 122.73 1owe s GLN 130 Ca -0.02 -1.09 -0.08 0.00 -1.95 0.00 0.00 55.36 52.22 1owe s GLN 130 Cb -0.17 0.34 -0.02 0.00 -0.22 0.00 0.00 33.01 32.94 1owe s GLN 130 CO -0.07 -0.31 0.94 0.95 -0.25 0.00 0.00 175.29 176.54 1owe s THR 131 N -3.92 4.25 -0.07 -0.19 -4.23 -1.26 -3.04 115.64 107.17 1owe s THR 131 Ca 0.11 0.38 0.02 0.00 -1.18 0.00 0.00 61.69 61.01 1owe s THR 131 Cb 0.05 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 1owe s THR 131 CO -0.06 -0.78 -0.11 -0.51 -0.54 0.00 0.00 174.62 172.61 1owe s ILE 132 N -3.04 3.29 0.39 2.99 1.10 -0.66 -4.83 121.20 120.44 1owe s ILE 132 Ca 0.53 -0.62 -0.25 0.00 -0.51 0.00 0.00 60.65 59.80 1owe s ILE 132 Cb -0.11 -2.33 -0.09 0.00 0.15 0.00 0.00 42.46 40.09 1owe s ILE 132 CO 0.49 0.58 1.14 0.00 -2.11 0.00 0.00 174.94 175.04 1owe s LEU 134 N -2.46 3.60 0.80 0.00 1.43 -1.26 -0.55 118.68 120.24 1owe s LEU 134 Ca 0.56 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 1owe s LEU 134 Cb -0.29 -4.52 0.07 0.00 0.03 0.00 0.00 46.19 41.48 1owe s LEU 134 CO 0.37 -0.81 1.09 -2.16 0.23 0.00 0.00 176.35 175.06 1owe s PRO 135 N -3.98 2.06 0.23 1.29 0.04 -1.26 -4.80 135.00 128.58 1owe s PRO 135 Ca 0.61 0.95 0.03 0.00 0.04 0.00 0.00 61.00 62.63 1owe s PRO 135 Cb -0.13 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1owe s PRO 135 CO 0.32 -1.72 0.38 -1.54 0.04 0.00 0.00 177.00 174.48 1owe s SER 136 N -3.55 6.33 0.28 6.66 1.04 -1.26 -4.92 113.70 118.28 1owe s SER 136 Ca 0.61 0.22 -0.30 0.00 0.48 0.00 0.00 55.95 56.96 1owe s SER 136 Cb -0.16 -1.93 -0.11 0.00 0.10 0.00 0.00 66.02 63.92 1owe s SER 136 CO 0.56 -0.08 1.54 -0.04 0.98 0.00 0.00 173.24 176.20 1owe s MET 137 N -3.78 4.17 -1.67 4.02 -1.94 -1.26 -2.59 119.30 116.26 1owe s MET 137 Ca 0.36 2.48 -0.02 0.00 -1.71 0.00 0.00 55.69 56.80 1owe s MET 137 Cb -0.10 -3.05 0.00 0.00 2.01 0.00 0.00 34.83 33.69 1owe s MET 137 CO 0.30 -0.56 0.28 0.66 -0.01 0.00 0.00 175.02 175.69 1owe n TYR 138 N 2.21 -1.46 -3.20 -0.03 4.01 -1.26 -4.92 117.16 112.51 1owe n TYR 138 Ca 0.08 0.24 -0.23 0.00 -0.16 0.00 0.00 57.90 57.83 1owe n TYR 138 Cb 0.38 -4.18 -0.06 0.00 -0.31 0.00 0.00 39.34 35.17 1owe n TYR 138 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1owe n ASN 139 N -2.24 0.49 -4.96 7.72 5.15 -1.07 -5.13 115.26 115.22 1owe n ASN 139 Ca -0.18 -2.80 -0.22 0.00 -0.60 0.00 0.00 54.58 50.78 1owe n ASN 139 Cb 0.66 -0.64 0.02 0.00 -0.53 0.00 0.00 39.78 39.29 1owe n ASN 139 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1owe s ASP 140 N -1.52 5.57 0.77 1.20 -0.00 -1.26 -4.63 116.67 116.80 1owe s ASP 140 Ca 0.36 0.16 -0.11 0.00 -0.00 0.00 0.00 52.55 52.96 1owe s ASP 140 Cb 0.21 -1.24 0.06 0.00 -0.00 0.00 0.00 42.92 41.95 1owe s ASP 140 CO -0.10 -0.91 1.10 -2.84 -0.00 0.00 0.00 175.17 172.43 1owe s PRO 141 N -4.66 2.18 0.60 8.23 0.02 -1.26 -5.02 135.00 135.09 1owe s PRO 141 Ca 0.52 1.27 -0.15 0.00 0.02 0.00 0.00 61.00 62.66 1owe s PRO 141 Cb -0.10 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 1owe s PRO 141 CO 0.38 -1.72 1.05 1.14 -0.33 0.00 0.00 177.00 177.53 1owe s GLN 142 N -4.72 3.33 0.56 5.54 -2.07 -1.26 -4.98 119.66 116.06 1owe s GLN 142 Ca 0.63 1.17 -0.21 0.00 -1.82 0.00 0.00 55.36 55.13 1owe s GLN 142 Cb -0.19 -2.04 -0.05 0.00 -1.09 0.00 0.00 33.01 29.65 1owe s GLN 142 CO 0.54 -0.80 1.21 1.97 -1.32 0.00 0.00 175.29 176.89 1owe n PHE 143 N -2.09 1.76 -0.00 9.60 1.16 -1.26 -2.33 117.46 124.29 1owe n PHE 143 Ca 0.08 0.44 0.00 0.00 -1.87 0.00 0.00 57.45 56.11 1owe n PHE 143 Cb 0.53 -2.28 0.00 0.00 -1.61 0.00 0.00 39.48 36.12 1owe n PHE 143 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1owe n GLY 144 N 0.96 0.85 3.76 4.97 0.00 0.10 -4.99 105.19 110.85 1owe n GLY 144 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1owe n GLY 144 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1owe s THR 145 N -2.29 2.71 -0.01 2.61 2.01 -0.99 -4.66 115.64 115.02 1owe s THR 145 Ca 0.00 0.69 -0.20 0.00 0.31 0.00 0.00 61.69 62.49 1owe s THR 145 Cb 0.00 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1owe s THR 145 CO 0.00 0.15 0.57 -0.44 -0.69 0.00 0.00 174.62 174.22 1owe s SER 146 N -0.29 6.94 0.07 3.53 0.01 -1.26 -0.88 113.70 121.82 1owe s SER 146 Ca 0.51 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1owe s SER 146 Cb -0.40 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 1owe s SER 146 CO 0.51 0.11 -0.05 0.00 0.41 0.00 0.00 173.24 174.22 1owe s GLU 148 N -3.55 2.42 0.20 0.00 -1.05 -0.43 -1.17 118.70 115.11 1owe s GLU 148 Ca 0.06 -0.99 0.08 0.00 -0.15 0.00 0.00 54.97 53.97 1owe s GLU 148 Cb 0.04 -2.42 -0.05 0.00 -0.44 0.00 0.00 34.13 31.27 1owe s GLU 148 CO -0.07 0.49 -0.14 0.96 0.95 0.00 0.00 175.26 177.46 1owe s ILE 149 N -1.49 1.71 -0.06 1.83 -4.36 -0.72 -0.88 121.20 117.23 1owe s ILE 149 Ca 0.26 -2.19 -0.08 0.00 -0.26 0.00 0.00 60.65 58.38 1owe s ILE 149 Cb -0.10 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.60 1owe s ILE 149 CO 0.18 -0.59 0.21 -0.89 0.24 0.00 0.00 174.94 174.09 1owe s THR 150 N -2.94 0.03 0.00 8.37 2.01 -1.25 -2.02 115.64 119.84 1owe s THR 150 Ca 0.22 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1owe s THR 150 Cb -0.01 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1owe s THR 150 CO 0.06 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 1owe n GLY 151 N 2.43 0.43 1.44 4.40 0.00 -0.70 -4.52 105.19 108.67 1owe n GLY 151 Ca -0.16 -0.92 0.10 0.00 0.00 0.00 0.00 46.02 45.03 1owe n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1owe n PHE 152 N -0.24 1.27 -0.65 1.61 3.72 -1.26 -2.37 117.46 119.54 1owe n PHE 152 Ca 0.00 -0.59 -0.30 0.00 -0.05 0.00 0.00 57.45 56.51 1owe n PHE 152 Cb 0.00 -0.17 0.27 0.00 -0.94 0.00 0.00 39.48 38.64 1owe n PHE 152 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1owe s GLY 153 N -0.98 1.48 0.37 1.37 0.00 -1.25 -4.12 107.32 104.18 1owe s GLY 153 Ca 0.48 -0.83 -0.28 0.00 0.00 0.00 0.00 44.72 44.09 1owe s GLY 153 CO 0.26 0.12 1.38 0.28 0.00 0.00 0.00 173.10 175.13 1owe n LYS 154 N -5.28 2.36 0.12 2.90 5.02 -0.73 -2.05 118.16 120.49 1owe n LYS 154 Ca 0.12 0.83 0.08 0.00 -2.02 0.00 0.00 58.31 57.32 1owe n LYS 154 Cb 0.60 -2.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.14 1owe n LYS 154 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1owe h GLU 155 N 2.68 0.00 -3.49 1.97 5.08 -1.86 0.87 114.58 119.83 1owe h GLU 155 Ca -0.48 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.73 1owe h GLU 155 Cb 1.27 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.31 1owe h GLU 155 CO 0.63 0.14 -0.49 -0.65 -1.00 0.00 0.00 179.01 177.64 1owe s GLN 156 N -3.17 0.46 0.56 2.33 -1.52 -1.26 -4.33 119.66 112.74 1owe s GLN 156 Ca 0.01 -0.35 0.33 0.00 -1.95 0.00 0.00 55.36 53.40 1owe s GLN 156 Cb 0.08 0.19 1.64 0.00 -0.22 0.00 0.00 33.01 34.70 1owe s GLN 156 CO 0.76 -0.11 2.11 0.77 -0.25 0.00 0.00 175.29 178.58 1owe h SER 157 N 4.40 0.00 0.43 5.90 0.02 -1.90 -2.03 113.55 120.37 1owe h SER 157 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1owe h SER 157 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1owe h SER 157 CO 0.40 0.07 -0.18 0.35 -1.14 0.00 0.00 176.83 176.33 1owe n THR 158 N -3.38 0.00 -2.47 -2.27 -2.24 -1.26 -4.87 114.28 97.79 1owe n THR 158 Ca -0.01 -0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 1owe n THR 158 Cb 0.22 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 1owe n THR 158 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1owe s ASP 159 N -2.62 6.31 -0.05 3.42 -0.00 -0.77 -4.97 116.67 117.99 1owe s ASP 159 Ca 0.24 1.87 0.11 0.00 -0.00 0.00 0.00 52.55 54.76 1owe s ASP 159 Cb 0.19 -2.55 -0.16 0.00 -0.00 0.00 0.00 42.92 40.40 1owe s ASP 159 CO 0.52 -0.80 0.17 0.00 -0.00 0.00 0.00 175.17 175.06 1owe n TYR 160 N -1.16 0.00 -2.92 4.23 4.11 -1.26 -4.97 117.16 115.19 1owe n TYR 160 Ca 0.09 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.62 1owe n TYR 160 Cb 0.53 -0.36 -0.06 0.00 -0.00 0.00 0.00 39.34 39.45 1owe n TYR 160 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1owe s LEU 161 N -4.16 4.34 0.18 -3.48 1.43 -1.26 -5.10 118.68 110.63 1owe s LEU 161 Ca -0.05 1.66 -0.10 0.00 -1.03 0.00 0.00 54.13 54.61 1owe s LEU 161 Cb 0.06 -3.83 -0.07 0.00 0.03 0.00 0.00 46.19 42.37 1owe s LEU 161 CO 0.46 -0.03 0.51 -0.31 0.23 0.00 0.00 176.35 177.21 1owe s TYR 162 N -1.58 3.49 0.34 0.29 4.12 -1.26 -4.74 117.35 118.00 1owe s TYR 162 Ca 0.47 0.86 -0.29 0.00 0.02 0.00 0.00 57.07 58.13 1owe s TYR 162 Cb -0.18 -2.24 -0.11 0.00 -1.52 0.00 0.00 41.96 37.91 1owe s TYR 162 CO 0.23 0.35 1.54 -1.25 0.02 0.00 0.00 175.55 176.44 1owe s PRO 163 N -2.50 4.11 0.34 -1.71 0.04 -1.26 -4.92 135.00 129.10 1owe s PRO 163 Ca 0.43 2.58 0.09 0.00 0.04 0.00 0.00 61.00 64.13 1owe s PRO 163 Cb -0.12 -2.99 0.63 0.00 0.04 0.00 0.00 34.50 32.05 1owe s PRO 163 CO 0.21 -0.59 1.81 1.49 0.04 0.00 0.00 177.00 179.96 1owe h GLU 164 N 3.91 0.20 -5.22 4.56 4.57 -1.98 -3.43 114.58 117.19 1owe h GLU 164 Ca -0.49 -0.07 -0.62 0.00 -1.18 0.00 0.00 59.36 57.00 1owe h GLU 164 Cb 1.23 -0.01 -0.17 0.00 -0.16 0.00 0.00 28.75 29.63 1owe h GLU 164 CO 0.72 0.48 -0.58 -1.14 -1.18 0.00 0.00 179.01 177.31 1owe s GLN 165 N -4.38 3.90 0.30 1.92 2.00 -1.26 -1.05 119.66 121.09 1owe s GLN 165 Ca -0.05 -0.38 -0.28 0.00 -2.00 0.00 0.00 55.36 52.66 1owe s GLN 165 Cb 0.14 -3.22 -0.14 0.00 0.80 0.00 0.00 33.01 30.60 1owe s GLN 165 CO 0.75 0.19 1.03 -0.11 -0.50 0.00 0.00 175.29 176.66 1owe n LEU 167 N 3.77 2.00 -4.43 3.68 7.94 -0.91 -4.87 117.00 124.18 1owe n LEU 167 Ca -0.16 1.17 -0.22 0.00 -1.11 0.00 0.00 56.01 55.69 1owe n LEU 167 Cb 0.52 -1.31 -0.10 0.00 0.53 0.00 0.00 43.42 43.06 1owe n LEU 167 CO 0.34 -1.32 -0.47 -0.54 -1.11 0.00 0.00 177.39 174.30 1owe s LYS 168 N -1.61 1.55 0.07 1.96 1.02 -1.00 -1.72 119.74 120.01 1owe s LYS 168 Ca 0.58 -1.70 -0.02 0.00 0.02 0.00 0.00 55.97 54.85 1owe s LYS 168 Cb -0.68 -1.55 -0.03 0.00 -0.52 0.00 0.00 37.83 35.05 1owe s LYS 168 CO 0.60 0.28 0.02 0.00 -0.92 0.00 0.00 175.35 175.33 1owe s MET 169 N -3.53 0.70 0.27 1.68 0.23 -0.67 -1.72 119.30 116.26 1owe s MET 169 Ca 0.27 -1.21 -0.13 0.00 -1.03 0.00 0.00 55.69 53.59 1owe s MET 169 Cb -0.04 0.24 0.00 0.00 -1.53 0.00 0.00 34.83 33.50 1owe s MET 169 CO 0.12 -0.16 0.53 -0.08 -2.03 0.00 0.00 175.02 173.40 1owe s THR 170 N -3.93 0.00 -0.05 3.16 -1.32 -0.86 -1.34 115.64 111.31 1owe s THR 170 Ca 0.09 -1.35 0.06 0.00 -1.21 0.00 0.00 61.69 59.28 1owe s THR 170 Cb 0.07 -2.28 -0.01 0.00 -1.51 0.00 0.00 72.50 68.77 1owe s THR 170 CO -0.08 0.00 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.41 1owe s VAL 171 N -3.76 1.82 0.21 5.08 1.01 -1.26 -1.75 120.40 121.74 1owe s VAL 171 Ca 0.21 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1owe s VAL 171 Cb -0.02 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1owe s VAL 171 CO 0.10 0.51 0.01 0.68 0.00 0.00 0.00 175.10 176.41 1owe s VAL 172 N -0.18 0.81 -0.06 2.92 -7.23 -0.32 -4.85 120.40 111.48 1owe s VAL 172 Ca -0.01 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 1owe s VAL 172 Cb -0.12 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1owe s VAL 172 CO 0.02 -0.34 -0.08 -0.54 -0.31 0.00 0.00 175.10 173.86 1owe s LYS 173 N -3.91 2.69 0.40 4.82 1.02 -0.40 -0.65 119.74 123.71 1owe s LYS 173 Ca 0.28 -0.59 -0.26 0.00 0.02 0.00 0.00 55.97 55.42 1owe s LYS 173 Cb 0.06 -2.55 -0.09 0.00 -0.52 0.00 0.00 37.83 34.74 1owe s LYS 173 CO 0.07 0.65 1.24 -0.51 -0.92 0.00 0.00 175.35 175.88 1owe s LEU 174 N -0.89 4.23 -0.06 3.17 1.43 -0.06 -2.05 118.68 124.45 1owe s LEU 174 Ca 0.13 2.51 0.05 0.00 -1.03 0.00 0.00 54.13 55.79 1owe s LEU 174 Cb -0.11 -3.93 -0.01 0.00 0.03 0.00 0.00 46.19 42.16 1owe s LEU 174 CO 0.02 -0.74 -0.22 -0.63 0.23 0.00 0.00 176.35 175.02 1owe s ILE 175 N -1.32 2.37 0.76 -0.59 1.01 -0.29 -0.72 121.20 122.42 1owe s ILE 175 Ca 0.56 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 1owe s ILE 175 Cb -0.35 -1.89 0.05 0.00 0.01 0.00 0.00 42.46 40.29 1owe s ILE 175 CO 0.44 0.57 1.23 -0.94 0.00 0.00 0.00 174.94 176.24 1owe s SER 176 N -0.23 3.94 0.13 3.58 1.04 -1.26 -4.13 113.70 116.76 1owe s SER 176 Ca -0.01 2.42 -0.21 0.00 0.48 0.00 0.00 55.95 58.63 1owe s SER 176 Cb -0.13 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 1owe s SER 176 CO 0.03 -2.44 1.69 -0.74 0.98 0.00 0.00 173.24 172.76 1owe h HIS 177 N -0.46 -0.21 -0.83 5.02 2.76 -1.96 -0.65 115.15 118.82 1owe h HIS 177 Ca -0.48 0.02 0.16 0.00 -2.20 0.00 0.00 60.37 57.87 1owe h HIS 177 Cb 1.31 0.11 -0.10 0.00 1.55 0.00 0.00 27.41 30.28 1owe h HIS 177 CO 0.46 -0.13 0.38 -0.09 -1.30 0.00 0.00 177.93 177.24 1owe h ARG 178 N -0.08 0.50 -0.08 5.26 9.65 -1.98 -2.00 114.38 125.65 1owe h ARG 178 Ca 0.09 -0.03 -0.21 0.00 -1.10 0.00 0.00 59.98 58.72 1owe h ARG 178 Cb 0.21 -0.11 0.01 0.00 -1.39 0.00 0.00 29.97 28.69 1owe h ARG 178 CO -0.20 0.33 -0.79 1.49 2.80 0.00 0.00 179.97 183.60 1owe h GLU 179 N 0.51 0.66 0.00 0.20 4.81 -1.86 -3.18 114.58 115.73 1owe h GLU 179 Ca 0.47 -0.62 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1owe h GLU 179 Cb 0.74 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 1owe h GLU 179 CO -0.42 1.22 -0.14 0.00 -0.73 0.00 0.00 179.01 178.94 1owe n GLN 181 N -4.12 1.37 -1.56 0.00 6.02 -0.78 -1.75 117.38 116.57 1owe n GLN 181 Ca -0.02 -0.56 -0.35 0.00 -0.01 0.00 0.00 57.00 56.06 1owe n GLN 181 Cb 0.22 -1.34 0.08 0.00 1.02 0.00 0.00 30.24 30.23 1owe n GLN 181 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1owe s GLN 182 N -1.89 2.31 0.45 -1.09 -1.52 -0.79 -3.14 119.66 114.00 1owe s GLN 182 Ca 0.29 1.84 0.18 0.00 -1.95 0.00 0.00 55.36 55.72 1owe s GLN 182 Cb 0.15 -1.84 1.06 0.00 -0.22 0.00 0.00 33.01 32.15 1owe s GLN 182 CO 0.23 -1.72 1.97 -1.00 -0.25 0.00 0.00 175.29 174.52 1owe h PRO 183 N 0.01 0.00 0.00 2.91 0.13 -1.91 -2.02 132.00 131.13 1owe h PRO 183 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1owe h PRO 183 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1owe h PRO 183 CO 0.51 0.22 -0.42 0.72 -0.23 0.00 0.00 178.00 178.80 1owe n HIS 184 N -4.03 0.66 0.00 1.56 8.25 -1.26 -4.50 115.22 115.90 1owe n HIS 184 Ca -0.02 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1owe n HIS 184 Cb 0.29 -0.74 0.00 0.00 1.12 0.00 0.00 29.99 30.66 1owe n HIS 184 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1owe n TYR 185 N -2.14 0.00 -0.18 4.41 4.02 -1.02 -4.78 117.16 117.47 1owe n TYR 185 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1owe n TYR 185 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 1owe n TYR 185 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1owe n TYR 186 N 0.00 0.00 -3.94 -0.72 4.01 -0.72 -4.96 117.16 110.84 1owe n TYR 186 Ca 0.00 -0.39 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 1owe n TYR 186 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1owe n TYR 186 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1owe n GLY 187 N -0.39 1.49 0.00 2.72 0.00 -0.79 -2.01 105.19 106.21 1owe n GLY 187 Ca 0.00 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.58 1owe n GLY 187 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1owe n SER 188 N -2.14 0.00 0.19 1.61 7.64 -1.26 -3.53 113.62 116.13 1owe n SER 188 Ca 0.00 -1.19 0.06 0.00 1.01 0.00 0.00 58.87 58.75 1owe n SER 188 Cb 0.00 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 63.52 1owe n SER 188 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1owe h GLU 189 N 0.00 0.00 -5.38 1.43 5.08 -1.80 -3.43 114.58 110.49 1owe h GLU 189 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1owe h GLU 189 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 1owe h GLU 189 CO 0.00 0.36 -0.43 0.54 -1.00 0.00 0.00 179.01 178.47 1owe s VAL 190 N -3.52 5.38 0.48 3.13 0.11 -1.23 -4.78 120.40 119.97 1owe s VAL 190 Ca 0.01 0.31 0.06 0.00 -2.93 0.00 0.00 61.98 59.43 1owe s VAL 190 Cb 0.10 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1owe s VAL 190 CO 0.68 0.44 0.31 0.42 -3.33 0.00 0.00 175.10 173.63 1owe s THR 191 N 0.26 1.98 -1.02 5.04 -4.23 -1.26 -4.90 115.64 111.51 1owe s THR 191 Ca 0.11 -1.55 0.18 0.00 -1.18 0.00 0.00 61.69 59.25 1owe s THR 191 Cb -0.12 -2.53 0.16 0.00 1.34 0.00 0.00 72.50 71.35 1owe s THR 191 CO 0.00 0.00 1.58 0.35 -0.54 0.00 0.00 174.62 176.02 1owe n THR 192 N -1.55 0.73 1.52 3.99 -2.24 -1.26 -1.60 114.28 113.87 1owe n THR 192 Ca -0.02 0.18 0.09 0.00 -2.27 0.00 0.00 64.05 62.04 1owe n THR 192 Cb 0.64 -0.87 0.40 0.00 -2.10 0.00 0.00 70.33 68.40 1owe n THR 192 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1owe n LYS 193 N -1.49 1.43 -4.30 -0.78 5.02 -1.26 -4.90 118.16 111.88 1owe n LYS 193 Ca 0.05 -0.66 -0.23 0.00 -2.02 0.00 0.00 58.31 55.45 1owe n LYS 193 Cb 0.21 -1.33 -0.12 0.00 -0.02 0.00 0.00 35.03 33.78 1owe n LYS 193 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1owe s MET 194 N -1.86 1.18 -0.05 1.97 -1.94 -0.62 -1.45 119.30 116.53 1owe s MET 194 Ca 0.28 -1.26 0.05 0.00 -1.71 0.00 0.00 55.69 53.05 1owe s MET 194 Cb 0.14 -1.36 -0.01 0.00 2.01 0.00 0.00 34.83 35.62 1owe s MET 194 CO 0.22 0.30 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.81 1owe s LEU 195 N -2.22 2.00 0.04 -0.03 1.43 0.16 -4.77 118.68 115.29 1owe s LEU 195 Ca 0.10 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.71 1owe s LEU 195 Cb -0.08 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 1owe s LEU 195 CO 0.05 0.21 0.28 0.00 0.23 0.00 0.00 176.35 177.12 1owe s ALA 197 N -1.39 -0.82 0.03 0.00 0.00 -0.40 -1.14 121.76 118.05 1owe s ALA 197 Ca 0.31 0.49 -0.28 0.00 0.00 0.00 0.00 51.96 52.47 1owe s ALA 197 Cb -0.13 -0.07 0.09 0.00 0.00 0.00 0.00 23.12 23.01 1owe s ALA 197 CO 0.19 -0.24 1.04 0.00 0.00 0.00 0.00 175.76 176.75 1owe s ALA 198 N -0.98 -1.87 0.07 0.00 0.00 -0.87 -1.70 121.76 116.41 1owe s ALA 198 Ca -0.10 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1owe s ALA 198 Cb -0.05 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 1owe s ALA 198 CO 0.03 -0.89 1.12 0.34 0.00 0.00 0.00 175.76 176.36 1owe s ASP 199 N -2.73 7.20 0.47 0.00 2.15 -1.26 -1.27 116.67 121.23 1owe s ASP 199 Ca 0.10 1.94 0.14 0.00 0.43 0.00 0.00 52.55 55.16 1owe s ASP 199 Cb 0.00 -2.58 1.10 0.00 -0.30 0.00 0.00 42.92 41.14 1owe s ASP 199 CO -0.03 -0.35 2.06 -0.65 -0.17 0.00 0.00 175.17 176.02 1owe h PRO 200 N 6.40 0.27 -0.33 4.34 0.11 -1.95 -0.67 132.00 140.17 1owe h PRO 200 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1owe h PRO 200 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1owe h PRO 200 CO 0.77 0.18 0.00 1.04 -0.21 0.00 0.00 178.00 179.78 1owe n GLN 201 N -4.48 1.91 -3.84 1.05 1.13 -1.26 -4.98 117.38 106.90 1owe n GLN 201 Ca 0.04 -1.40 -0.30 0.00 -1.94 0.00 0.00 57.00 53.40 1owe n GLN 201 Cb 0.23 -1.36 0.01 0.00 0.11 0.00 0.00 30.24 29.23 1owe n GLN 201 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1owe n TRP 202 N 0.63 -2.06 0.24 1.08 7.02 -0.26 -4.88 117.44 119.21 1owe n TRP 202 Ca 0.15 0.78 0.04 0.00 -1.02 0.00 0.00 57.50 57.45 1owe n TRP 202 Cb 0.36 -3.54 -0.06 0.00 -2.42 0.00 0.00 31.31 25.65 1owe n TRP 202 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1owe n LYS 203 N -4.40 2.41 -4.09 -0.99 4.76 -1.26 -4.69 118.16 109.90 1owe n LYS 203 Ca 0.04 -0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1owe n LYS 203 Cb 0.52 -1.05 -0.11 0.00 -1.84 0.00 0.00 35.03 32.55 1owe n LYS 203 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1owe s THR 204 N -2.19 0.55 -0.00 -0.18 -1.32 -1.26 -4.30 115.64 106.94 1owe s THR 204 Ca 0.00 -1.35 -0.30 0.00 -1.21 0.00 0.00 61.69 58.84 1owe s THR 204 Cb 0.06 -0.93 0.11 0.00 -1.51 0.00 0.00 72.50 70.23 1owe s THR 204 CO 0.37 -0.55 1.23 -0.62 -2.21 0.00 0.00 174.62 172.84 1owe s ASP 205 N -2.05 -0.08 0.74 8.08 -1.08 -0.91 -3.99 116.67 117.39 1owe s ASP 205 Ca -0.03 -0.17 -0.10 0.00 -0.52 0.00 0.00 52.55 51.73 1owe s ASP 205 Cb -0.05 0.21 0.05 0.00 -1.46 0.00 0.00 42.92 41.68 1owe s ASP 205 CO -0.02 -0.39 1.10 -0.94 0.52 0.00 0.00 175.17 175.45 1owe s SER 206 N -2.92 4.88 0.38 -0.34 1.04 -1.26 -1.66 113.70 113.82 1owe s SER 206 Ca 0.13 0.79 -0.07 0.00 0.48 0.00 0.00 55.95 57.29 1owe s SER 206 Cb 0.04 -1.43 0.03 0.00 0.10 0.00 0.00 66.02 64.75 1owe s SER 206 CO -0.03 -1.64 0.61 0.00 0.98 0.00 0.00 173.24 173.16 1owe n GLN 208 N -0.58 1.86 0.00 0.00 7.27 -1.26 -1.06 117.38 123.61 1owe n GLN 208 Ca -0.03 0.67 0.00 0.00 0.07 0.00 0.00 57.00 57.71 1owe n GLN 208 Cb 0.61 -2.37 0.00 0.00 2.41 0.00 0.00 30.24 30.89 1owe n GLN 208 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1owe n GLY 209 N 2.87 3.37 0.21 1.69 0.00 -1.26 -1.78 105.19 110.28 1owe n GLY 209 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1owe n GLY 209 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1owe n ASP 210 N 0.00 0.86 -4.71 1.61 8.00 -0.22 -3.91 116.55 118.17 1owe n ASP 210 Ca 0.00 -0.78 -0.40 0.00 0.71 0.00 0.00 54.79 54.32 1owe n ASP 210 Cb 0.00 0.07 0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1owe n ASP 210 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1owe n SER 211 N -0.75 2.49 0.00 -2.24 7.64 -1.26 -2.00 113.62 117.51 1owe n SER 211 Ca 0.13 1.05 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1owe n SER 211 Cb 0.33 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.01 1owe n SER 211 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1owe n GLY 212 N 0.82 3.13 3.80 0.23 0.00 -0.33 -1.98 105.19 110.87 1owe n GLY 212 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1owe n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1owe s GLY 213 N -2.01 1.59 0.34 -0.02 0.00 -0.85 -3.65 107.32 102.73 1owe s GLY 213 Ca 0.00 -0.59 -0.26 0.00 0.00 0.00 0.00 44.72 43.87 1owe s GLY 213 CO 0.00 -0.02 1.06 2.56 0.00 0.00 0.00 173.10 176.70 1owe s PRO 214 N -5.35 4.39 -0.36 2.90 0.04 -1.26 -1.06 135.00 134.30 1owe s PRO 214 Ca 0.64 1.61 -0.05 0.00 0.04 0.00 0.00 61.00 63.25 1owe s PRO 214 Cb -0.14 -2.83 0.06 0.00 0.04 0.00 0.00 34.50 31.63 1owe s PRO 214 CO 0.53 0.04 0.12 -1.17 0.04 0.00 0.00 177.00 176.56 1owe s LEU 215 N -2.10 4.53 -0.19 -3.56 2.96 -0.38 -3.76 118.68 116.18 1owe s LEU 215 Ca 0.52 -1.41 -0.05 0.00 -0.22 0.00 0.00 54.13 52.97 1owe s LEU 215 Cb -0.26 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1owe s LEU 215 CO 0.33 -0.39 0.01 -0.69 -1.32 0.00 0.00 176.35 174.29 1owe s VAL 216 N 1.32 4.11 -0.10 1.68 1.01 -0.06 -2.03 120.40 126.32 1owe s VAL 216 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1owe s VAL 216 Cb -0.21 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1owe s VAL 216 CO 0.00 0.45 -0.14 0.00 0.00 0.00 0.00 175.10 175.41 1owe s SER 218 N -0.02 7.11 -0.08 0.00 0.15 -1.26 -0.99 113.70 118.61 1owe s SER 218 Ca -0.04 1.41 0.01 0.00 0.70 0.00 0.00 55.95 58.03 1owe s SER 218 Cb -0.14 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.65 1owe s SER 218 CO 0.04 -0.65 -0.08 -0.22 1.20 0.00 0.00 173.24 173.53 1owe s LEU 219 N 3.09 1.34 -1.22 3.45 2.96 -0.16 -4.76 118.68 123.39 1owe s LEU 219 Ca 0.45 -0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 54.03 1owe s LEU 219 Cb -0.16 -0.75 0.05 0.00 0.50 0.00 0.00 46.19 45.83 1owe s LEU 219 CO 0.08 -0.06 0.38 0.00 -1.32 0.00 0.00 176.35 175.43 1owe n GLN 220 N 4.39 -3.23 -0.29 1.98 6.02 -1.26 -0.45 117.38 124.54 1owe n GLN 220 Ca -0.18 0.52 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1owe n GLN 220 Cb 0.51 -5.21 0.00 0.00 1.02 0.00 0.00 30.24 26.56 1owe n GLN 220 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1owe n GLY 221 N -1.10 0.96 3.28 1.08 0.00 -1.26 -5.05 105.19 103.10 1owe n GLY 221 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1owe n GLY 221 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1owe s ARG 222 N -0.54 3.22 0.07 1.61 3.52 0.40 -5.08 118.95 122.14 1owe s ARG 222 Ca 0.00 -0.77 -0.31 0.00 -0.13 0.00 0.00 55.73 54.53 1owe s ARG 222 Cb 0.00 -2.54 -0.07 0.00 -1.56 0.00 0.00 34.95 30.78 1owe s ARG 222 CO 0.00 0.12 1.46 -1.64 -0.81 0.00 0.00 175.30 174.43 1owe s MET 223 N 0.54 4.27 -0.02 5.12 -1.94 -1.26 -0.99 119.30 125.03 1owe s MET 223 Ca -0.11 2.11 0.02 0.00 -1.71 0.00 0.00 55.69 56.00 1owe s MET 223 Cb -0.16 -3.43 0.00 0.00 2.01 0.00 0.00 34.83 33.25 1owe s MET 223 CO 0.04 -0.56 -0.06 0.99 -0.01 0.00 0.00 175.02 175.42 1owe s THR 224 N 1.90 0.56 -1.09 2.05 2.01 -0.16 -4.11 115.64 116.80 1owe s THR 224 Ca 0.67 -0.24 -0.22 0.00 0.31 0.00 0.00 61.69 62.21 1owe s THR 224 Cb -0.36 -0.51 0.03 0.00 0.01 0.00 0.00 72.50 71.67 1owe s THR 224 CO 0.29 0.18 1.64 -0.22 -0.69 0.00 0.00 174.62 175.83 1owe s LEU 225 N 0.23 3.51 0.14 4.42 2.96 0.28 -1.96 118.68 128.25 1owe s LEU 225 Ca -0.03 -1.62 0.02 0.00 -0.22 0.00 0.00 54.13 52.28 1owe s LEU 225 Cb -0.07 -2.57 -0.10 0.00 0.50 0.00 0.00 46.19 43.95 1owe s LEU 225 CO -0.00 -1.73 1.31 0.74 -1.32 0.00 0.00 176.35 175.35 1owe h THR 226 N 6.48 1.55 -4.01 3.68 2.02 -1.73 -3.38 112.91 117.52 1owe h THR 226 Ca 0.25 -2.88 -0.13 0.00 0.77 0.00 0.00 66.41 64.42 1owe h THR 226 Cb 0.97 2.64 -0.11 0.00 -1.74 0.00 0.00 68.15 69.91 1owe h THR 226 CO 1.39 0.84 -0.30 -0.83 0.37 0.00 0.00 175.52 176.98 1owe s GLY 227 N -4.58 0.91 -0.09 2.16 0.00 -1.00 -2.95 107.32 101.77 1owe s GLY 227 Ca -0.02 -1.21 0.02 0.00 0.00 0.00 0.00 44.72 43.51 1owe s GLY 227 CO 0.84 -0.92 -0.14 -0.42 0.00 0.00 0.00 173.10 172.45 1owe s ILE 228 N -4.02 1.32 -0.05 0.90 -1.09 -1.15 -1.25 121.20 115.87 1owe s ILE 228 Ca 0.29 -0.56 -0.36 0.00 -2.23 0.00 0.00 60.65 57.78 1owe s ILE 228 Cb 0.02 -1.21 -0.14 0.00 -1.58 0.00 0.00 42.46 39.55 1owe s ILE 228 CO 0.11 0.40 1.66 0.52 -1.23 0.00 0.00 174.94 176.40 1owe n VAL 229 N 4.03 0.26 0.03 2.92 0.31 -0.22 -1.78 118.33 123.87 1owe n VAL 229 Ca -0.20 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1owe n VAL 229 Cb 0.51 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 1owe n VAL 229 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1owe n SER 230 N 4.72 0.49 -3.78 4.52 2.88 -0.77 -1.18 113.62 120.50 1owe n SER 230 Ca 0.22 0.10 -0.09 0.00 -1.33 0.00 0.00 58.87 57.77 1owe n SER 230 Cb 0.23 -0.12 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 1owe n SER 230 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1owe s TRP 231 N -1.52 0.16 0.00 0.66 1.48 -0.74 -4.95 118.94 114.03 1owe s TRP 231 Ca 0.00 -0.59 0.00 0.00 -1.06 0.00 0.00 56.10 54.45 1owe s TRP 231 Cb 0.00 0.45 0.00 0.00 -1.16 0.00 0.00 33.47 32.76 1owe s TRP 231 CO 0.00 -1.16 0.00 0.41 -4.06 0.00 0.00 176.95 172.14 1owe n GLY 232 N -0.44 1.22 3.59 3.67 0.00 -1.26 0.33 105.19 112.31 1owe n GLY 232 Ca -0.03 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1owe n GLY 232 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1owe s ARG 233 N -2.00 3.69 1.99 1.61 6.06 -1.26 -4.90 118.95 124.13 1owe s ARG 233 Ca 0.00 0.50 0.00 0.00 -2.50 0.00 0.00 55.73 53.73 1owe s ARG 233 Cb 0.00 -3.91 0.00 0.00 0.06 0.00 0.00 34.95 31.10 1owe s ARG 233 CO 0.00 -1.37 0.00 0.41 -2.50 0.00 0.00 175.30 171.84 1owe n GLY 234 N 4.87 -0.91 3.01 8.12 0.00 -1.26 -4.59 105.19 114.43 1owe n GLY 234 Ca 0.11 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 1owe n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1owe n ALA 236 N 4.00 -0.80 -2.33 0.00 0.00 -1.26 -4.90 120.51 115.21 1owe n ALA 236 Ca -0.21 0.23 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 1owe n ALA 236 Cb 0.51 -3.08 -0.06 0.00 0.00 0.00 0.00 19.45 16.83 1owe n ALA 236 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1owe s LEU 237 N -6.38 4.34 0.17 0.00 1.43 -1.26 -4.65 118.68 112.33 1owe s LEU 237 Ca 0.15 1.11 -0.33 0.00 -1.03 0.00 0.00 54.13 54.04 1owe s LEU 237 Cb -0.07 -3.29 -0.13 0.00 0.03 0.00 0.00 46.19 42.74 1owe s LEU 237 CO 0.19 0.10 1.69 1.17 0.23 0.00 0.00 176.35 179.73 1owe n LYS 238 N 0.81 2.52 -1.98 1.70 4.81 -1.26 -1.99 118.16 122.77 1owe n LYS 238 Ca -0.05 0.91 -0.16 0.00 -0.87 0.00 0.00 58.31 58.14 1owe n LYS 238 Cb 0.52 -2.73 -0.03 0.00 0.02 0.00 0.00 35.03 32.80 1owe n LYS 238 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1owe n ASP 239 N 4.07 -4.89 -3.64 3.14 8.00 -1.26 -4.95 116.55 117.01 1owe n ASP 239 Ca 0.17 0.15 -0.27 0.00 0.71 0.00 0.00 54.79 55.54 1owe n ASP 239 Cb 0.33 -3.93 -0.11 0.00 -0.02 0.00 0.00 41.12 37.39 1owe n ASP 239 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1owe n LYS 240 N -2.55 1.09 -1.15 -1.24 4.76 -0.84 -4.03 118.16 114.21 1owe n LYS 240 Ca -0.18 -3.88 -0.33 0.00 -2.87 0.00 0.00 58.31 51.05 1owe n LYS 240 Cb 0.60 -1.99 0.12 0.00 -1.84 0.00 0.00 35.03 31.93 1owe n LYS 240 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1owe s PRO 241 N -0.81 1.70 0.39 1.97 0.02 -1.26 -4.45 135.00 132.56 1owe s PRO 241 Ca 0.29 1.71 -0.27 0.00 0.02 0.00 0.00 61.00 62.76 1owe s PRO 241 Cb 0.01 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.65 1owe s PRO 241 CO -0.18 -2.16 1.30 0.20 -0.33 0.00 0.00 177.00 175.83 1owe s GLY 242 N -2.23 2.94 -0.03 0.52 0.00 -0.69 -4.51 107.32 103.31 1owe s GLY 242 Ca 0.72 1.23 0.07 0.00 0.00 0.00 0.00 44.72 46.74 1owe s GLY 242 CO 0.50 1.82 -0.25 0.14 0.00 0.00 0.00 173.10 175.31 1owe s VAL 243 N -1.24 2.07 -0.01 1.40 1.01 0.15 -1.28 120.40 122.50 1owe s VAL 243 Ca 0.55 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1owe s VAL 243 Cb -0.38 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 1owe s VAL 243 CO 0.49 0.58 -0.10 -0.31 0.00 0.00 0.00 175.10 175.76 1owe s TYR 244 N -0.47 0.96 0.21 5.22 2.02 -0.40 -1.79 117.35 123.10 1owe s TYR 244 Ca 0.06 -0.20 -0.32 0.00 -0.37 0.00 0.00 57.07 56.24 1owe s TYR 244 Cb -0.11 -0.64 -0.12 0.00 -0.40 0.00 0.00 41.96 40.69 1owe s TYR 244 CO 0.01 -0.04 1.72 2.41 -1.57 0.00 0.00 175.55 178.08 1owe n THR 245 N 2.96 0.05 -2.72 -0.71 -1.04 -0.74 -0.66 114.28 111.41 1owe n THR 245 Ca -0.15 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.43 1owe n THR 245 Cb 0.56 -2.00 -0.03 0.00 -1.82 0.00 0.00 70.33 67.03 1owe n THR 245 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1owe s ARG 246 N 1.10 3.15 0.44 -2.82 3.52 -0.53 -2.91 118.95 120.91 1owe s ARG 246 Ca 0.75 -0.55 0.15 0.00 -0.13 0.00 0.00 55.73 55.94 1owe s ARG 246 Cb -0.50 -4.20 1.05 0.00 -1.56 0.00 0.00 34.95 29.74 1owe s ARG 246 CO 0.33 -1.95 1.98 0.28 -0.81 0.00 0.00 175.30 175.13 1owe h VAL 247 N 6.00 0.88 0.00 7.11 2.07 -1.83 -2.20 116.25 128.29 1owe h VAL 247 Ca -0.28 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1owe h VAL 247 Cb 1.06 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1owe h VAL 247 CO 1.22 0.07 -0.11 0.77 0.02 0.00 0.00 177.57 179.54 1owe h SER 248 N 0.38 0.00 0.64 0.57 4.64 -1.88 -0.93 113.55 116.97 1owe h SER 248 Ca 0.28 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.52 1owe h SER 248 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1owe h SER 248 CO -0.07 0.11 -0.35 -0.74 -0.87 0.00 0.00 176.83 174.90 1owe h HIS 249 N 0.00 0.00 -0.42 4.77 6.17 -1.78 -3.18 115.15 120.72 1owe h HIS 249 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1owe h HIS 249 Cb 0.26 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.19 1owe h HIS 249 CO 0.00 0.35 0.00 1.19 0.71 0.00 0.00 177.93 180.18 1owe n PHE 250 N -3.70 0.55 -0.26 5.26 3.01 -0.36 -4.47 117.46 117.48 1owe n PHE 250 Ca -0.01 -0.28 0.04 0.00 1.01 0.00 0.00 57.45 58.21 1owe n PHE 250 Cb 0.45 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 40.09 1owe n PHE 250 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1owe h LEU 251 N 3.09 0.45 -0.61 4.37 3.38 -1.53 0.94 115.31 125.41 1owe h LEU 251 Ca 0.00 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1owe h LEU 251 Cb 0.70 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1owe h LEU 251 CO 0.00 0.22 0.08 -0.65 0.09 0.00 0.00 178.44 178.18 1owe h PRO 252 N 0.58 1.02 -0.40 1.13 0.11 -1.88 -1.94 132.00 130.61 1owe h PRO 252 Ca 0.40 -0.28 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 1owe h PRO 252 Cb 0.50 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1owe h PRO 252 CO -0.32 0.96 0.20 2.35 -0.21 0.00 0.00 178.00 180.98 1owe h TRP 253 N 0.92 0.57 -0.66 0.65 7.01 -1.77 -0.59 115.95 122.08 1owe h TRP 253 Ca 0.18 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 1owe h TRP 253 Cb 0.45 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 1owe h TRP 253 CO 0.03 0.46 0.25 0.82 -2.79 0.00 0.00 178.44 177.21 1owe h ILE 254 N 0.51 1.24 -0.27 2.65 2.04 -0.69 -1.85 117.51 121.15 1owe h ILE 254 Ca 0.14 -0.76 -0.12 0.00 1.00 0.00 0.00 64.86 65.11 1owe h ILE 254 Cb 0.09 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1owe h ILE 254 CO -0.02 0.30 -0.30 -0.09 0.00 0.00 0.00 178.15 178.04 1owe h ARG 255 N 0.93 0.68 -0.37 2.37 2.43 -1.25 -2.38 114.38 116.80 1owe h ARG 255 Ca 0.22 -0.37 -0.03 0.00 -0.81 0.00 0.00 59.98 58.98 1owe h ARG 255 Cb 0.22 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1owe h ARG 255 CO -0.02 0.99 0.10 1.03 -1.51 0.00 0.00 179.97 180.56 1owe h SER 256 N 0.41 0.48 0.14 -3.80 0.87 -1.03 -3.03 113.55 107.60 1owe h SER 256 Ca 0.04 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1owe h SER 256 Cb 0.88 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1owe h SER 256 CO 0.07 0.48 -0.30 1.41 -0.53 0.00 0.00 176.83 177.97 1owe n HIS 257 N -4.35 0.00 0.55 2.24 8.25 -0.70 -5.10 115.22 116.12 1owe n HIS 257 Ca 0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.55 1owe n HIS 257 Cb 0.18 -0.07 0.06 0.00 1.12 0.00 0.00 29.99 31.27 1owe n HIS 257 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23