#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fle s VAL 17 N 0.00 5.20 -0.81 2.52 1.01 0.17 -4.26 120.40 124.23 1fle s VAL 17 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1fle s VAL 17 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1fle s VAL 17 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1fle n GLY 18 N 2.67 0.63 0.00 4.51 0.00 -1.23 -1.26 105.19 110.51 1fle n GLY 18 Ca -0.12 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1fle n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fle n GLY 19 N -1.59 1.47 3.14 -0.02 0.00 -1.26 -4.82 105.19 102.11 1fle n GLY 19 Ca -0.09 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 1fle n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fle s THR 20 N 1.17 0.79 0.19 2.61 2.01 -0.22 -4.92 115.64 117.27 1fle s THR 20 Ca 0.00 -1.54 -0.30 0.00 0.31 0.00 0.00 61.69 60.15 1fle s THR 20 Cb 0.00 -1.22 -0.09 0.00 0.01 0.00 0.00 72.50 71.20 1fle s THR 20 CO 0.00 -0.57 1.37 -0.70 -0.69 0.00 0.00 174.62 174.03 1fle s GLU 21 N -2.65 4.34 0.57 4.92 2.12 -1.26 -0.64 118.70 126.09 1fle s GLU 21 Ca 0.02 2.13 -0.17 0.00 0.36 0.00 0.00 54.97 57.32 1fle s GLU 21 Cb -0.03 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 1fle s GLU 21 CO -0.01 -0.35 1.05 0.00 -0.54 0.00 0.00 175.26 175.41 1fle s ALA 22 N 0.37 2.78 0.45 6.30 0.00 0.99 -4.82 121.76 127.83 1fle s ALA 22 Ca 0.60 0.43 -0.24 0.00 0.00 0.00 0.00 51.96 52.74 1fle s ALA 22 Cb -0.38 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 1fle s ALA 22 CO 0.37 -0.70 1.26 -0.65 0.00 0.00 0.00 175.76 176.05 1fle s GLN 23 N -3.92 3.75 0.64 0.00 -1.52 -1.26 -4.85 119.66 112.50 1fle s GLN 23 Ca 0.64 2.03 0.24 0.00 -1.95 0.00 0.00 55.36 56.33 1fle s GLN 23 Cb -0.16 -2.55 1.31 0.00 -0.22 0.00 0.00 33.01 31.39 1fle s GLN 23 CO 0.34 -0.63 1.73 0.00 -0.25 0.00 0.00 175.29 176.47 1fle h ARG 24 N 2.25 0.00 0.00 2.91 3.08 -1.97 -1.19 114.38 119.46 1fle h ARG 24 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1fle h ARG 24 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1fle h ARG 24 CO 0.61 0.00 -0.01 0.27 -1.07 0.00 0.00 179.97 179.77 1fle n ASN 25 N -2.76 1.42 -0.24 7.04 6.94 -1.26 -4.82 115.26 121.58 1fle n ASN 25 Ca -0.02 -1.78 -0.06 0.00 -0.02 0.00 0.00 54.58 52.71 1fle n ASN 25 Cb 0.47 -0.02 0.08 0.00 -2.36 0.00 0.00 39.78 37.94 1fle n ASN 25 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1fle h SER 26 N 0.00 1.04 -2.21 0.53 0.02 -1.57 -3.38 113.55 107.98 1fle h SER 26 Ca 0.00 -0.20 -0.58 0.00 -0.84 0.00 0.00 61.79 60.16 1fle h SER 26 Cb 0.68 -0.27 -0.40 0.00 0.14 0.00 0.00 62.40 62.55 1fle h SER 26 CO 0.00 0.98 -0.89 0.79 -1.14 0.00 0.00 176.83 176.57 1fle n TRP 27 N -4.25 1.03 0.04 3.45 7.02 -1.26 -4.98 117.44 118.49 1fle n TRP 27 Ca 0.06 -3.76 0.03 0.00 -1.02 0.00 0.00 57.50 52.80 1fle n TRP 27 Cb 0.24 -0.34 0.14 0.00 -2.42 0.00 0.00 31.31 28.94 1fle n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1fle n PRO 28 N 1.53 0.03 0.01 -0.99 -0.04 -1.26 -1.38 135.00 132.91 1fle n PRO 28 Ca 0.25 0.50 0.11 0.00 -0.04 0.00 0.00 63.50 64.32 1fle n PRO 28 Cb 0.47 -1.66 0.06 0.00 -0.04 0.00 0.00 33.50 32.33 1fle n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1fle n SER 29 N -1.66 0.66 -4.70 3.54 3.41 -1.22 -1.83 113.62 111.82 1fle n SER 29 Ca -0.00 -0.38 -0.42 0.00 -0.26 0.00 0.00 58.87 57.80 1fle n SER 29 Cb 0.06 0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 1fle n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1fle s GLN 30 N -3.10 4.25 0.27 4.33 2.00 -0.48 -0.57 119.66 126.35 1fle s GLN 30 Ca 0.07 2.18 0.12 0.00 -2.00 0.00 0.00 55.36 55.72 1fle s GLN 30 Cb 0.16 -3.43 -0.05 0.00 0.80 0.00 0.00 33.01 30.49 1fle s GLN 30 CO 0.79 -0.60 -0.20 0.96 -0.50 0.00 0.00 175.29 175.74 1fle s ILE 31 N 1.95 2.43 -0.20 -2.34 -5.25 -0.55 -4.41 121.20 112.81 1fle s ILE 31 Ca 0.68 -2.35 -0.04 0.00 -0.99 0.00 0.00 60.65 57.95 1fle s ILE 31 Cb -0.38 -2.26 -0.02 0.00 2.95 0.00 0.00 42.46 42.75 1fle s ILE 31 CO 0.30 -0.37 -0.03 -0.55 -1.79 0.00 0.00 174.94 172.50 1fle s SER 32 N -3.39 4.56 -0.22 4.36 0.15 -0.51 -2.86 113.70 115.78 1fle s SER 32 Ca 0.28 -0.29 -0.15 0.00 0.70 0.00 0.00 55.95 56.50 1fle s SER 32 Cb -0.05 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 1fle s SER 32 CO 0.14 0.04 0.35 -0.22 1.20 0.00 0.00 173.24 174.75 1fle s LEU 33 N 1.15 4.12 0.08 3.45 2.96 0.46 -1.55 118.68 129.35 1fle s LEU 33 Ca 0.02 0.39 0.07 0.00 -0.22 0.00 0.00 54.13 54.39 1fle s LEU 33 Cb -0.15 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 1fle s LEU 33 CO 0.00 -0.08 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.66 1fle s GLN 34 N 1.44 1.14 0.10 1.98 -0.21 -0.16 -0.32 119.66 123.63 1fle s GLN 34 Ca 0.16 -1.03 0.07 0.00 0.02 0.00 0.00 55.36 54.58 1fle s GLN 34 Cb -0.15 -1.31 -0.04 0.00 1.00 0.00 0.00 33.01 32.52 1fle s GLN 34 CO 0.08 0.31 -0.10 1.52 -2.12 0.00 0.00 175.29 174.98 1fle s TYR 35 N -1.04 2.73 -0.29 0.91 -0.85 0.16 -1.05 117.35 117.92 1fle s TYR 35 Ca 0.05 -0.16 -0.29 0.00 -0.52 0.00 0.00 57.07 56.15 1fle s TYR 35 Cb -0.09 -1.44 -0.01 0.00 0.38 0.00 0.00 41.96 40.80 1fle s TYR 35 CO 0.03 0.42 1.39 0.50 -1.52 0.00 0.00 175.55 176.37 1fle s ARG 36 N -2.14 3.86 -0.72 -3.49 3.52 -0.22 0.17 118.95 119.92 1fle s ARG 36 Ca 0.21 1.34 0.03 0.00 -0.13 0.00 0.00 55.73 57.18 1fle s ARG 36 Cb -0.11 -3.93 0.18 0.00 -1.56 0.00 0.00 34.95 29.52 1fle s ARG 36 CO 0.13 -1.20 0.53 0.45 -0.81 0.00 0.00 175.30 174.40 1fle s SER 36 N 3.26 5.02 0.00 -2.12 0.15 0.43 -4.77 113.70 115.67 1fle s SER 36 Ca 0.61 -3.75 0.00 0.00 0.70 0.00 0.00 55.95 53.51 1fle s SER 36 Cb -0.19 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1fle s SER 36 CO 0.25 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1fle n GLY 36 N 2.15 1.85 0.00 9.45 0.00 -1.26 -2.60 105.19 114.78 1fle n GLY 36 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1fle n GLY 36 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fle n SER 36 N 4.47 1.08 -4.93 1.61 2.88 -1.26 -5.07 113.62 112.40 1fle n SER 36 Ca 0.00 -0.02 -0.22 0.00 -1.33 0.00 0.00 58.87 57.30 1fle n SER 36 Cb 0.00 0.26 0.05 0.00 -0.75 0.00 0.00 64.21 63.77 1fle n SER 36 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1fle s SER 37 N -0.47 5.08 0.01 -3.46 1.04 -1.07 -5.10 113.70 109.73 1fle s SER 37 Ca 0.00 0.05 0.07 0.00 0.48 0.00 0.00 55.95 56.55 1fle s SER 37 Cb 0.00 -0.83 -0.03 0.00 0.10 0.00 0.00 66.02 65.26 1fle s SER 37 CO 0.00 -1.31 -0.22 0.26 0.98 0.00 0.00 173.24 172.95 1fle s TRP 38 N -2.90 2.45 -0.10 5.02 0.52 -1.26 0.16 118.94 122.82 1fle s TRP 38 Ca 0.59 -0.34 0.03 0.00 0.02 0.00 0.00 56.10 56.40 1fle s TRP 38 Cb -0.10 -1.48 0.01 0.00 -1.15 0.00 0.00 33.47 30.74 1fle s TRP 38 CO 0.40 0.12 -0.21 0.00 0.02 0.00 0.00 176.95 177.28 1fle s ALA 39 N -0.76 1.99 0.12 0.98 0.00 0.13 -4.86 121.76 119.36 1fle s ALA 39 Ca 0.12 -0.88 -0.31 0.00 0.00 0.00 0.00 51.96 50.88 1fle s ALA 39 Cb -0.10 -0.81 -0.09 0.00 0.00 0.00 0.00 23.12 22.11 1fle s ALA 39 CO 0.02 0.15 1.65 -1.58 0.00 0.00 0.00 175.76 176.00 1fle s HIS 40 N 0.56 2.64 -0.02 0.00 2.46 -1.26 -0.67 115.29 119.00 1fle s HIS 40 Ca -0.14 0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.77 1fle s HIS 40 Cb -0.17 -3.99 -0.02 0.00 -0.13 0.00 0.00 32.58 28.27 1fle s HIS 40 CO 0.05 -3.88 -0.02 -2.37 -2.47 0.00 0.00 174.74 166.05 1fle n THR 41 N 4.42 0.13 -3.96 0.89 5.66 0.57 -4.92 114.28 117.07 1fle n THR 41 Ca 0.15 -0.05 -0.10 0.00 -3.05 0.00 0.00 64.05 61.00 1fle n THR 41 Cb 0.39 -0.62 -0.03 0.00 -1.55 0.00 0.00 70.33 68.52 1fle n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fle n GLY 43 N -0.46 0.97 3.64 0.00 0.00 0.24 -0.40 105.19 109.18 1fle n GLY 43 Ca -0.03 -2.05 0.02 0.00 0.00 0.00 0.00 46.02 43.96 1fle n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fle s GLY 44 N -4.20 -0.40 -0.06 -0.02 0.00 -1.14 -3.88 107.32 97.62 1fle s GLY 44 Ca 0.46 0.67 0.03 0.00 0.00 0.00 0.00 44.72 45.87 1fle s GLY 44 CO 0.30 0.41 -0.13 -1.59 0.00 0.00 0.00 173.10 172.10 1fle s THR 45 N -2.39 1.16 -0.30 0.90 2.01 -0.21 -1.49 115.64 115.33 1fle s THR 45 Ca 0.15 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 1fle s THR 45 Cb 0.05 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1fle s THR 45 CO -0.04 0.36 1.08 -0.22 -0.69 0.00 0.00 174.62 175.11 1fle s LEU 46 N 0.48 3.96 -0.02 4.42 2.96 0.26 -0.65 118.68 130.09 1fle s LEU 46 Ca -0.11 1.12 0.12 0.00 -0.22 0.00 0.00 54.13 55.03 1fle s LEU 46 Cb -0.14 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.83 1fle s LEU 46 CO 0.03 -0.85 0.25 2.30 -1.32 0.00 0.00 176.35 176.76 1fle n ILE 47 N 5.78 0.02 -4.04 6.68 -5.35 -0.84 0.20 119.36 121.80 1fle n ILE 47 Ca 0.12 -0.27 -0.10 0.00 -0.27 0.00 0.00 62.75 62.23 1fle n ILE 47 Cb 0.47 0.21 -0.08 0.00 -1.74 0.00 0.00 39.64 38.50 1fle n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1fle s ARG 48 N -2.80 1.15 0.54 6.28 1.81 -1.11 -4.68 118.95 120.14 1fle s ARG 48 Ca -0.04 -1.30 0.31 0.00 -1.72 0.00 0.00 55.73 52.98 1fle s ARG 48 Cb 0.07 0.34 1.52 0.00 -0.45 0.00 0.00 34.95 36.43 1fle s ARG 48 CO 0.49 -0.41 2.07 1.96 -0.68 0.00 0.00 175.30 178.73 1fle h GLN 49 N 2.59 0.00 0.00 3.54 4.20 -1.95 -2.87 115.11 120.62 1fle h GLN 49 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1fle h GLN 49 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1fle h GLN 49 CO 0.50 0.09 -0.02 0.27 -0.67 0.00 0.00 178.83 179.00 1fle n ASN 50 N -3.40 2.00 -4.14 1.46 6.94 -1.26 -0.98 115.26 115.87 1fle n ASN 50 Ca -0.01 -2.49 -0.20 0.00 -0.02 0.00 0.00 54.58 51.86 1fle n ASN 50 Cb 0.25 -0.22 -0.13 0.00 -2.36 0.00 0.00 39.78 37.32 1fle n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1fle s TRP 51 N -1.83 1.21 -0.01 -2.53 0.52 -1.08 -0.23 118.94 114.98 1fle s TRP 51 Ca 0.15 -0.36 0.03 0.00 0.02 0.00 0.00 56.10 55.95 1fle s TRP 51 Cb 0.14 -0.72 -0.01 0.00 -1.15 0.00 0.00 33.47 31.73 1fle s TRP 51 CO 0.01 0.03 -0.11 0.08 0.02 0.00 0.00 176.95 176.99 1fle s VAL 52 N -0.89 0.88 -0.19 4.03 1.01 -0.20 -1.99 120.40 123.06 1fle s VAL 52 Ca 0.01 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1fle s VAL 52 Cb -0.08 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1fle s VAL 52 CO 0.01 0.25 0.07 -0.32 0.00 0.00 0.00 175.10 175.11 1fle s MET 53 N -0.16 3.96 0.07 2.72 1.75 0.18 -1.38 119.30 126.43 1fle s MET 53 Ca 0.03 -0.35 0.01 0.00 -1.25 0.00 0.00 55.69 54.13 1fle s MET 53 Cb -0.05 -3.23 -0.00 0.00 2.84 0.00 0.00 34.83 34.38 1fle s MET 53 CO -0.00 0.24 0.06 -2.37 -0.65 0.00 0.00 175.02 172.30 1fle n THR 54 N 3.65 0.00 -3.20 10.11 5.66 -0.17 -1.04 114.28 129.29 1fle n THR 54 Ca -0.16 -0.45 -0.37 0.00 -3.05 0.00 0.00 64.05 60.02 1fle n THR 54 Cb 0.52 0.24 -0.06 0.00 -1.55 0.00 0.00 70.33 69.48 1fle n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fle s ALA 55 N -2.17 3.50 0.19 1.79 0.00 -1.26 -1.32 121.76 122.48 1fle s ALA 55 Ca 0.07 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.99 1fle s ALA 55 Cb 0.00 -2.71 0.11 0.00 0.00 0.00 0.00 23.12 20.52 1fle s ALA 55 CO 0.05 0.38 1.79 0.00 0.00 0.00 0.00 175.76 177.98 1fle h ALA 56 N 3.72 0.86 0.00 0.00 0.00 -1.74 -2.82 119.26 119.28 1fle h ALA 56 Ca -0.48 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1fle h ALA 56 Cb 1.20 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1fle h ALA 56 CO 0.65 0.39 0.00 -2.39 0.00 0.00 0.00 179.25 177.90 1fle n HIS 57 N -4.50 0.33 0.04 0.00 1.44 -1.26 -1.69 115.22 109.58 1fle n HIS 57 Ca 0.05 0.17 -0.01 0.00 -2.01 0.00 0.00 57.72 55.93 1fle n HIS 57 Cb 0.10 -0.77 -0.07 0.00 0.12 0.00 0.00 29.99 29.37 1fle n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1fle n VAL 59 N -2.96 0.73 -0.90 0.00 0.24 -0.74 -4.74 118.33 109.96 1fle n VAL 59 Ca -0.08 -0.80 -0.15 0.00 -2.04 0.00 0.00 64.34 61.27 1fle n VAL 59 Cb 0.84 0.66 0.02 0.00 -1.47 0.00 0.00 33.84 33.89 1fle n VAL 59 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1fle n ASP 60 N -0.36 6.30 -3.94 -1.34 5.75 -0.68 -4.83 116.55 117.45 1fle n ASP 60 Ca 0.00 -2.98 -0.09 0.00 -0.01 0.00 0.00 54.79 51.71 1fle n ASP 60 Cb 0.24 -1.09 -0.09 0.00 -1.03 0.00 0.00 41.12 39.15 1fle n ASP 60 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1fle s ARG 61 N -1.51 0.58 -1.29 0.11 3.00 -1.26 -5.05 118.95 113.54 1fle s ARG 61 Ca 0.31 -0.77 -0.14 0.00 0.00 0.00 0.00 55.73 55.13 1fle s ARG 61 Cb 0.23 0.23 0.13 0.00 0.00 0.00 0.00 34.95 35.53 1fle s ARG 61 CO -0.02 -0.14 1.73 -1.91 0.00 0.00 0.00 175.30 174.96 1fle n GLU 62 N 0.75 3.31 -4.46 3.54 2.13 -1.26 -4.92 120.64 119.73 1fle n GLU 62 Ca -0.19 -3.45 -0.23 0.00 0.66 0.00 0.00 57.16 53.95 1fle n GLU 62 Cb 0.59 -3.16 -0.10 0.00 0.27 0.00 0.00 31.44 29.03 1fle n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1fle s LEU 63 N 1.88 2.58 -0.24 4.31 1.43 -1.26 -5.13 118.68 122.25 1fle s LEU 63 Ca 0.45 -1.16 -0.12 0.00 -1.03 0.00 0.00 54.13 52.27 1fle s LEU 63 Cb 0.04 -0.81 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 1fle s LEU 63 CO 0.01 -0.24 0.23 -0.89 0.23 0.00 0.00 176.35 175.69 1fle s THR 64 N -2.83 5.30 0.19 5.49 2.01 -1.26 -5.02 115.64 119.52 1fle s THR 64 Ca 0.30 0.32 0.08 0.00 0.31 0.00 0.00 61.69 62.69 1fle s THR 64 Cb 0.02 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1fle s THR 64 CO 0.13 0.29 0.01 -0.36 -0.69 0.00 0.00 174.62 174.01 1fle s PHE 65 N 1.32 2.84 0.10 4.92 0.08 -1.26 -1.06 117.98 124.92 1fle s PHE 65 Ca 0.10 -0.15 -0.08 0.00 0.12 0.00 0.00 56.93 56.93 1fle s PHE 65 Cb -0.14 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 40.94 1fle s PHE 65 CO 0.07 0.53 0.19 -0.98 -0.10 0.00 0.00 175.22 174.93 1fle s ARG 65 N -3.09 0.90 0.02 0.44 1.70 -0.21 -3.04 118.95 115.66 1fle s ARG 65 Ca 0.28 -1.05 0.06 0.00 -0.47 0.00 0.00 55.73 54.55 1fle s ARG 65 Cb -0.09 0.34 -0.02 0.00 -0.57 0.00 0.00 34.95 34.61 1fle s ARG 65 CO 0.19 -0.29 -0.17 0.08 -1.08 0.00 0.00 175.30 174.03 1fle s VAL 66 N -3.90 1.36 -0.12 4.99 1.01 0.10 -0.99 120.40 122.85 1fle s VAL 66 Ca 0.09 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1fle s VAL 66 Cb 0.05 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1fle s VAL 66 CO -0.08 0.20 -0.18 -0.69 0.00 0.00 0.00 175.10 174.35 1fle s VAL 67 N -0.67 1.73 0.06 2.92 1.01 -0.59 -1.22 120.40 123.64 1fle s VAL 67 Ca 0.05 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1fle s VAL 67 Cb -0.08 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1fle s VAL 67 CO 0.01 0.49 -0.09 0.68 0.00 0.00 0.00 175.10 176.19 1fle s VAL 68 N 0.87 3.48 -0.94 2.92 -7.23 -0.33 -1.42 120.40 117.75 1fle s VAL 68 Ca -0.08 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1fle s VAL 68 Cb -0.15 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1fle s VAL 68 CO -0.01 0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 1fle n GLY 69 N 1.04 0.15 3.78 2.32 0.00 -1.26 0.18 105.19 111.40 1fle n GLY 69 Ca -0.14 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 1fle n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fle s GLU 70 N -4.24 4.53 0.05 1.61 2.56 -1.26 -3.39 118.70 118.57 1fle s GLU 70 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 54.97 56.12 1fle s GLU 70 Cb 0.00 -3.12 0.00 0.00 2.00 0.00 0.00 34.13 33.01 1fle s GLU 70 CO 0.00 0.49 0.00 1.58 -0.56 0.00 0.00 175.26 176.77 1fle n HIS 71 N 1.26 -0.29 -3.67 5.30 -0.00 -1.26 -4.93 115.22 111.63 1fle n HIS 71 Ca -0.04 0.05 -0.37 0.00 -0.00 0.00 0.00 57.72 57.37 1fle n HIS 71 Cb 0.49 0.18 -0.11 0.00 -0.00 0.00 0.00 29.99 30.56 1fle n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1fle s ASN 72 N -4.98 5.86 0.51 0.26 3.84 -1.26 -1.86 114.94 117.32 1fle s ASN 72 Ca 0.00 -0.00 0.27 0.00 0.21 0.00 0.00 52.86 53.34 1fle s ASN 72 Cb 0.00 -2.07 1.38 0.00 -0.55 0.00 0.00 41.25 40.01 1fle s ASN 72 CO 0.00 0.01 2.04 -0.07 -2.79 0.00 0.00 177.10 176.29 1fle h LEU 73 N 7.96 0.00 0.00 3.21 3.38 0.07 -3.15 115.31 126.78 1fle h LEU 73 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1fle h LEU 73 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1fle h LEU 73 CO 0.60 0.13 -1.04 0.59 0.09 0.00 0.00 178.44 178.81 1fle n ASN 74 N -3.62 0.77 -4.23 -0.43 4.13 -1.26 -4.96 115.26 105.66 1fle n ASN 74 Ca -0.02 -0.68 -0.22 0.00 1.68 0.00 0.00 54.58 55.35 1fle n ASN 74 Cb 0.26 0.97 -0.13 0.00 -1.54 0.00 0.00 39.78 39.35 1fle n ASN 74 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1fle s GLN 75 N -3.08 1.03 -0.29 3.52 0.74 -1.19 -5.10 119.66 115.29 1fle s GLN 75 Ca 0.06 -1.04 -0.28 0.00 0.05 0.00 0.00 55.36 54.15 1fle s GLN 75 Cb 0.16 -1.18 0.01 0.00 1.10 0.00 0.00 33.01 33.10 1fle s GLN 75 CO 0.84 0.27 1.03 0.54 -0.55 0.00 0.00 175.29 177.42 1fle s ASN 76 N -1.72 6.94 0.03 6.67 2.20 -1.26 -4.59 114.94 123.21 1fle s ASN 76 Ca 0.03 1.09 0.17 0.00 -0.94 0.00 0.00 52.86 53.22 1fle s ASN 76 Cb -0.10 -2.53 -0.16 0.00 -2.00 0.00 0.00 41.25 36.47 1fle s ASN 76 CO 0.03 -0.79 0.73 0.59 -2.94 0.00 0.00 177.10 174.73 1fle n ASN 77 N 6.63 0.75 0.00 3.54 5.03 -1.26 -4.98 115.26 124.98 1fle n ASN 77 Ca 0.11 0.33 0.00 0.00 0.87 0.00 0.00 54.58 55.89 1fle n ASN 77 Cb 0.47 0.30 0.00 0.00 -1.02 0.00 0.00 39.78 39.53 1fle n ASN 77 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1fle n GLY 78 N 1.43 0.67 0.48 7.41 0.00 -1.26 -4.94 105.19 108.98 1fle n GLY 78 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1fle n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fle n THR 79 N -2.00 0.00 -2.99 2.61 -2.24 -1.26 -5.00 114.28 103.40 1fle n THR 79 Ca 0.00 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.20 1fle n THR 79 Cb 0.00 1.08 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 1fle n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1fle s GLU 80 N -2.43 4.14 -0.02 -0.78 8.01 -1.22 -4.40 118.70 122.00 1fle s GLU 80 Ca 0.21 0.90 0.04 0.00 0.01 0.00 0.00 54.97 56.13 1fle s GLU 80 Cb 0.19 -2.37 -0.01 0.00 -4.31 0.00 0.00 34.13 27.62 1fle s GLU 80 CO 0.53 0.10 -0.15 -0.65 0.01 0.00 0.00 175.26 175.10 1fle s GLN 81 N -2.96 1.38 -0.13 1.61 -0.21 0.13 -4.97 119.66 114.51 1fle s GLN 81 Ca 0.56 -0.55 -0.02 0.00 0.02 0.00 0.00 55.36 55.37 1fle s GLN 81 Cb -0.10 -1.29 -0.03 0.00 1.00 0.00 0.00 33.01 32.59 1fle s GLN 81 CO 0.16 0.29 -0.05 0.71 -2.12 0.00 0.00 175.29 174.28 1fle s TYR 82 N -0.19 3.00 -0.04 0.91 1.51 -1.26 -1.19 117.35 120.09 1fle s TYR 82 Ca 0.02 -0.24 -0.03 0.00 -1.01 0.00 0.00 57.07 55.82 1fle s TYR 82 Cb -0.08 -1.89 0.01 0.00 -0.11 0.00 0.00 41.96 39.89 1fle s TYR 82 CO 0.00 0.05 0.09 0.08 -1.11 0.00 0.00 175.55 174.67 1fle s VAL 83 N 0.06 -0.01 0.64 0.71 1.01 -0.36 -5.01 120.40 117.44 1fle s VAL 83 Ca -0.01 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1fle s VAL 83 Cb -0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1fle s VAL 83 CO 0.03 0.01 1.04 -0.83 0.00 0.00 0.00 175.10 175.36 1fle s GLY 84 N 0.24 1.81 -0.31 4.51 0.00 -1.26 -0.72 107.32 111.58 1fle s GLY 84 Ca -0.02 0.12 -0.18 0.00 0.00 0.00 0.00 44.72 44.65 1fle s GLY 84 CO -0.01 0.42 0.52 0.14 0.00 0.00 0.00 173.10 174.18 1fle s VAL 85 N -2.90 5.03 -0.08 1.40 1.01 -1.17 -0.46 120.40 123.22 1fle s VAL 85 Ca 0.59 0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 1fle s VAL 85 Cb -0.13 -3.91 -0.29 0.00 0.00 0.00 0.00 36.38 32.05 1fle s VAL 85 CO 0.48 -0.10 0.61 -0.61 0.00 0.00 0.00 175.10 175.49 1fle h GLN 86 N 8.29 0.29 -4.01 2.72 4.15 0.11 -3.45 115.11 123.21 1fle h GLN 86 Ca -0.28 -0.50 -0.25 0.00 0.77 0.00 0.00 58.65 58.38 1fle h GLN 86 Cb 1.13 0.19 -0.27 0.00 0.21 0.00 0.00 27.48 28.74 1fle h GLN 86 CO 0.75 1.24 -0.73 0.15 -1.93 0.00 0.00 178.83 178.31 1fle s LYS 87 N -2.50 0.22 -0.19 1.69 1.02 -0.65 -4.92 119.74 114.40 1fle s LYS 87 Ca -0.18 -0.21 0.01 0.00 0.02 0.00 0.00 55.97 55.61 1fle s LYS 87 Cb 0.04 -0.13 0.03 0.00 -0.52 0.00 0.00 37.83 37.25 1fle s LYS 87 CO 0.80 0.03 -0.17 0.42 -0.92 0.00 0.00 175.35 175.50 1fle s ILE 88 N -0.37 2.00 -0.28 2.17 1.01 -1.26 0.74 121.20 125.21 1fle s ILE 88 Ca -0.03 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.63 1fle s ILE 88 Cb -0.03 -1.88 0.07 0.00 0.01 0.00 0.00 42.46 40.64 1fle s ILE 88 CO -0.00 0.42 -0.04 -0.69 0.00 0.00 0.00 174.94 174.63 1fle s VAL 89 N 1.29 1.97 0.13 2.92 1.01 0.17 -5.02 120.40 122.87 1fle s VAL 89 Ca 0.02 -1.72 -0.13 0.00 0.00 0.00 0.00 61.98 60.15 1fle s VAL 89 Cb -0.14 -2.24 -0.07 0.00 0.00 0.00 0.00 36.38 33.93 1fle s VAL 89 CO -0.11 -0.25 0.51 -0.69 0.00 0.00 0.00 175.10 174.57 1fle s VAL 90 N 1.15 4.91 0.20 2.92 1.01 -1.26 -1.05 120.40 128.27 1fle s VAL 90 Ca -0.02 0.76 -0.33 0.00 0.00 0.00 0.00 61.98 62.40 1fle s VAL 90 Cb -0.19 -3.72 -0.13 0.00 0.00 0.00 0.00 36.38 32.34 1fle s VAL 90 CO -0.07 0.27 1.63 1.57 0.00 0.00 0.00 175.10 178.50 1fle n HIS 91 N 0.88 2.53 0.24 5.22 -0.00 -0.71 -4.84 115.22 118.54 1fle n HIS 91 Ca -0.06 0.18 0.18 0.00 0.46 0.00 0.00 57.72 58.48 1fle n HIS 91 Cb 0.52 -2.60 0.86 0.00 -0.12 0.00 0.00 29.99 28.65 1fle n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1fle h PRO 92 N 6.05 0.00 -0.08 1.57 0.13 -1.93 -1.47 132.00 136.27 1fle h PRO 92 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1fle h PRO 92 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1fle h PRO 92 CO 0.90 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.33 1fle n TYR 93 N -3.38 0.08 -2.20 1.56 4.01 -1.26 -4.94 117.16 111.02 1fle n TYR 93 Ca 0.01 -0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 1fle n TYR 93 Cb 0.37 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.37 1fle n TYR 93 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1fle s TRP 94 N -1.92 3.13 -0.38 -0.72 -0.11 -0.56 -4.90 118.94 113.48 1fle s TRP 94 Ca 0.33 0.93 -0.03 0.00 1.22 0.00 0.00 56.10 58.55 1fle s TRP 94 Cb 0.20 -3.66 0.10 0.00 -1.50 0.00 0.00 33.47 28.61 1fle s TRP 94 CO 0.31 -2.34 0.16 1.21 -4.62 0.00 0.00 176.95 171.67 1fle s ASN 95 N 1.36 5.18 0.54 5.86 3.04 -1.26 -5.01 114.94 124.64 1fle s ASN 95 Ca 0.64 -1.87 0.49 0.00 0.04 0.00 0.00 52.86 52.16 1fle s ASN 95 Cb -0.35 -1.80 1.67 0.00 -1.54 0.00 0.00 41.25 39.23 1fle s ASN 95 CO 0.29 -0.48 1.50 0.41 -3.04 0.00 0.00 177.10 175.79 1fle n THR 96 N 4.59 0.00 0.06 -5.21 -1.04 -1.26 -1.59 114.28 109.84 1fle n THR 96 Ca -0.04 1.44 -0.22 0.00 -2.04 0.00 0.00 64.05 63.19 1fle n THR 96 Cb 0.42 -2.40 -0.15 0.00 -1.82 0.00 0.00 70.33 66.38 1fle n THR 96 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1fle h ASP 97 N 0.00 0.57 -3.49 8.00 1.82 -2.02 -3.45 116.42 117.85 1fle h ASP 97 Ca 0.91 -0.89 -0.74 0.00 -0.39 0.00 0.00 57.03 55.92 1fle h ASP 97 Cb 3.66 -0.19 -0.29 0.00 0.68 0.00 0.00 39.33 43.19 1fle h ASP 97 CO -0.01 1.75 -0.29 -0.62 -1.61 0.00 0.00 179.24 178.46 1fle s ASP 98 N -7.22 5.86 -0.29 2.28 -1.08 -0.62 -5.07 116.67 110.52 1fle s ASP 98 Ca -0.16 -2.18 -0.04 0.00 -0.52 0.00 0.00 52.55 49.66 1fle s ASP 98 Cb 0.06 -2.04 -0.01 0.00 -1.46 0.00 0.00 42.92 39.47 1fle s ASP 98 CO 0.84 -0.64 2.84 1.33 0.52 0.00 0.00 175.17 180.06 1fle n VAL 99 N 4.57 3.08 0.00 1.11 0.24 -1.26 -4.37 118.33 121.70 1fle n VAL 99 Ca -0.02 -2.25 0.00 0.00 -2.04 0.00 0.00 64.34 60.02 1fle n VAL 99 Cb 0.41 -1.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.13 1fle n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fle n ALA 99 N 1.26 0.00 0.00 2.33 0.00 -1.26 -4.85 120.51 117.98 1fle n ALA 99 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1fle n ALA 99 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1fle n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fle n GLY 100 N -0.03 -1.81 2.39 0.00 0.00 -1.26 -4.98 105.19 99.50 1fle n GLY 100 Ca 0.00 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 43.96 1fle n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fle n TYR 101 N 0.00 -0.93 -2.72 1.61 4.01 -1.26 -4.69 117.16 113.19 1fle n TYR 101 Ca 0.00 0.05 -0.43 0.00 -0.16 0.00 0.00 57.90 57.36 1fle n TYR 101 Cb 0.00 -3.56 0.00 0.00 -0.31 0.00 0.00 39.34 35.48 1fle n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1fle n ASP 102 N -1.41 5.04 -3.67 7.72 2.03 -1.26 -4.40 116.55 120.60 1fle n ASP 102 Ca -0.20 -2.95 -0.14 0.00 0.52 0.00 0.00 54.79 52.02 1fle n ASP 102 Cb 0.65 -1.65 -0.08 0.00 -0.72 0.00 0.00 41.12 39.32 1fle n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1fle s ILE 103 N 2.77 0.00 0.02 5.18 2.07 -1.26 -3.98 121.20 126.00 1fle s ILE 103 Ca 0.48 -0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.62 1fle s ILE 103 Cb 0.01 -0.80 0.00 0.00 0.13 0.00 0.00 42.46 41.80 1fle s ILE 103 CO 0.03 -0.01 0.16 0.00 -1.91 0.00 0.00 174.94 173.22 1fle s ALA 104 N 0.18 -0.32 -0.06 1.50 0.00 -0.43 -1.75 121.76 120.89 1fle s ALA 104 Ca -0.01 -0.25 0.06 0.00 0.00 0.00 0.00 51.96 51.76 1fle s ALA 104 Cb -0.04 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1fle s ALA 104 CO 0.01 -0.29 -0.25 -0.51 0.00 0.00 0.00 175.76 174.72 1fle s LEU 105 N -1.81 2.07 -0.08 0.00 1.43 -0.22 -1.00 118.68 119.07 1fle s LEU 105 Ca -0.09 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1fle s LEU 105 Cb -0.04 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1fle s LEU 105 CO -0.02 0.24 -0.21 -0.76 0.23 0.00 0.00 176.35 175.83 1fle s LEU 106 N -0.15 2.28 -0.23 1.79 2.01 -0.48 -0.65 118.68 123.24 1fle s LEU 106 Ca -0.04 -0.45 -0.17 0.00 0.01 0.00 0.00 54.13 53.48 1fle s LEU 106 Cb -0.14 -1.45 -0.03 0.00 0.01 0.00 0.00 46.19 44.58 1fle s LEU 106 CO 0.04 0.22 0.46 -0.60 1.01 0.00 0.00 176.35 177.47 1fle s ARG 107 N 0.01 4.11 0.41 1.70 3.00 0.23 -1.03 118.95 127.39 1fle s ARG 107 Ca -0.08 0.26 -0.23 0.00 -1.00 0.00 0.00 55.73 54.69 1fle s ARG 107 Cb -0.15 -3.60 -0.10 0.00 0.00 0.00 0.00 34.95 31.10 1fle s ARG 107 CO 0.05 -0.21 0.99 -0.51 0.00 0.00 0.00 175.30 175.62 1fle s LEU 108 N 1.85 4.05 0.65 -0.88 1.43 0.68 0.15 118.68 126.60 1fle s LEU 108 Ca 0.20 1.85 0.40 0.00 -1.03 0.00 0.00 54.13 55.56 1fle s LEU 108 Cb -0.15 -4.35 2.26 0.00 0.03 0.00 0.00 46.19 43.97 1fle s LEU 108 CO 0.09 -0.42 2.34 0.00 0.23 0.00 0.00 176.35 178.59 1fle h ALA 109 N 2.24 1.15 -2.72 4.21 0.00 -1.07 -3.41 119.26 119.66 1fle h ALA 109 Ca -0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1fle h ALA 109 Cb 1.20 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 1fle h ALA 109 CO 0.62 0.00 0.19 -1.14 0.00 0.00 0.00 179.25 178.92 1fle s GLN 110 N -4.28 1.21 0.11 0.00 0.74 -1.26 -4.99 119.66 111.18 1fle s GLN 110 Ca -0.05 -0.28 -0.28 0.00 0.05 0.00 0.00 55.36 54.79 1fle s GLN 110 Cb 0.14 0.56 -0.06 0.00 1.10 0.00 0.00 33.01 34.74 1fle s GLN 110 CO 0.45 -0.49 0.89 -1.12 -0.55 0.00 0.00 175.29 174.47 1fle s SER 111 N -2.32 7.42 0.65 6.67 0.01 -1.26 -4.68 113.70 120.19 1fle s SER 111 Ca -0.02 1.70 -0.10 0.00 1.31 0.00 0.00 55.95 58.83 1fle s SER 111 Cb -0.01 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 1fle s SER 111 CO -0.07 -0.01 1.03 0.68 0.41 0.00 0.00 173.24 175.29 1fle s VAL 112 N -0.19 3.93 -0.20 3.43 -7.23 -0.15 -4.98 120.40 115.01 1fle s VAL 112 Ca 0.43 0.50 -0.13 0.00 -1.81 0.00 0.00 61.98 60.98 1fle s VAL 112 Cb -0.23 -3.61 -0.05 0.00 0.56 0.00 0.00 36.38 33.06 1fle s VAL 112 CO 0.28 -0.76 0.27 -0.89 -0.31 0.00 0.00 175.10 173.69 1fle s THR 113 N -3.22 5.30 0.24 5.32 2.01 -1.26 -4.94 115.64 119.09 1fle s THR 113 Ca 0.56 0.46 -0.18 0.00 0.31 0.00 0.00 61.69 62.84 1fle s THR 113 Cb -0.11 -3.61 -0.08 0.00 0.01 0.00 0.00 72.50 68.71 1fle s THR 113 CO 0.51 0.33 0.72 -0.76 -0.69 0.00 0.00 174.62 174.73 1fle s LEU 114 N 0.92 4.28 0.00 4.42 2.01 -1.26 -4.77 118.68 124.27 1fle s LEU 114 Ca 0.14 1.37 -0.01 0.00 0.01 0.00 0.00 54.13 55.64 1fle s LEU 114 Cb -0.14 -3.68 0.00 0.00 0.01 0.00 0.00 46.19 42.38 1fle s LEU 114 CO 0.05 -0.02 0.04 -0.46 1.01 0.00 0.00 176.35 176.97 1fle n ASN 115 N 0.48 -0.11 0.12 2.29 0.23 -0.39 -4.96 115.26 112.91 1fle n ASN 115 Ca -0.01 -1.07 0.19 0.00 -0.53 0.00 0.00 54.58 53.16 1fle n ASN 115 Cb 0.52 0.18 0.77 0.00 -2.08 0.00 0.00 39.78 39.16 1fle n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1fle h SER 116 N 0.10 0.00 0.00 0.53 0.02 -2.01 -2.52 113.55 109.67 1fle h SER 116 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1fle h SER 116 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1fle h SER 116 CO 0.02 0.00 -1.42 -1.22 -1.14 0.00 0.00 176.83 173.08 1fle n TYR 117 N -3.80 0.00 -3.95 3.45 4.01 -1.26 -4.86 117.16 110.74 1fle n TYR 117 Ca 0.06 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.49 1fle n TYR 117 Cb 0.52 -0.24 -0.16 0.00 -0.31 0.00 0.00 39.34 39.16 1fle n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1fle s VAL 118 N -2.74 1.55 0.04 -0.72 1.01 -0.95 -4.25 120.40 114.34 1fle s VAL 118 Ca -0.03 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 1fle s VAL 118 Cb 0.08 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1fle s VAL 118 CO 0.50 -0.05 0.05 -1.10 0.00 0.00 0.00 175.10 174.50 1fle s GLN 119 N 1.40 0.56 0.44 2.72 -1.52 -0.76 -1.27 119.66 121.23 1fle s GLN 119 Ca -0.05 -0.84 -0.23 0.00 -1.95 0.00 0.00 55.36 52.30 1fle s GLN 119 Cb -0.18 0.21 -0.09 0.00 -0.22 0.00 0.00 33.01 32.73 1fle s GLN 119 CO -0.06 -0.13 1.06 -0.51 -0.25 0.00 0.00 175.29 175.40 1fle s LEU 120 N -2.22 4.02 0.17 2.90 1.02 -1.26 -3.39 118.68 119.92 1fle s LEU 120 Ca -0.04 2.04 -0.24 0.00 0.02 0.00 0.00 54.13 55.91 1fle s LEU 120 Cb -0.00 -4.32 -0.08 0.00 0.02 0.00 0.00 46.19 41.80 1fle s LEU 120 CO -0.05 -0.66 0.75 -0.83 0.02 0.00 0.00 176.35 175.58 1fle s GLY 121 N -1.68 2.85 -0.28 -3.19 0.00 0.52 -4.80 107.32 100.74 1fle s GLY 121 Ca 0.62 0.30 -0.12 0.00 0.00 0.00 0.00 44.72 45.52 1fle s GLY 121 CO 0.26 0.78 0.25 0.14 0.00 0.00 0.00 173.10 174.53 1fle s VAL 122 N -1.21 5.26 0.31 1.40 1.01 -1.26 -4.70 120.40 121.22 1fle s VAL 122 Ca 0.36 0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.56 1fle s VAL 122 Cb -0.22 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1fle s VAL 122 CO 0.25 0.20 0.58 -0.76 0.00 0.00 0.00 175.10 175.36 1fle s LEU 123 N 1.86 4.01 0.70 3.92 1.43 -1.26 0.11 118.68 129.45 1fle s LEU 123 Ca 0.09 0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 53.78 1fle s LEU 123 Cb -0.16 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.54 1fle s LEU 123 CO 0.11 -0.24 1.07 -2.16 0.23 0.00 0.00 176.35 175.36 1fle s PRO 124 N -3.76 2.81 0.32 1.29 0.04 -1.26 -4.85 135.00 129.59 1fle s PRO 124 Ca 0.44 1.09 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 1fle s PRO 124 Cb -0.10 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1fle s PRO 124 CO 0.32 -1.21 1.35 1.03 0.04 0.00 0.00 177.00 178.53 1fle s ARG 125 N -4.76 4.31 0.21 4.56 0.52 -1.26 -4.81 118.95 117.71 1fle s ARG 125 Ca 0.61 2.28 -0.31 0.00 -0.52 0.00 0.00 55.73 57.79 1fle s ARG 125 Cb -0.16 -3.06 -0.15 0.00 0.52 0.00 0.00 34.95 32.10 1fle s ARG 125 CO 0.51 -0.27 1.05 0.00 0.02 0.00 0.00 175.30 176.61 1fle n ALA 126 N 0.98 -0.87 -0.38 2.13 0.00 -1.26 -2.13 120.51 118.98 1fle n ALA 126 Ca 0.01 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1fle n ALA 126 Cb 0.41 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1fle n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fle n GLY 127 N 1.75 2.20 3.68 0.00 0.00 -0.74 -5.01 105.19 107.06 1fle n GLY 127 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 1fle n GLY 127 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fle n THR 128 N -2.00 0.24 -4.61 2.61 -1.04 -0.91 -4.97 114.28 103.60 1fle n THR 128 Ca 0.00 -0.04 -0.33 0.00 -2.04 0.00 0.00 64.05 61.64 1fle n THR 128 Cb 0.00 -1.79 -0.16 0.00 -1.82 0.00 0.00 70.33 66.55 1fle n THR 128 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1fle s ILE 129 N 2.20 2.10 0.09 12.58 1.01 -1.26 -4.78 121.20 133.14 1fle s ILE 129 Ca 0.83 -0.96 -0.23 0.00 0.00 0.00 0.00 60.65 60.29 1fle s ILE 129 Cb -0.62 -1.84 -0.07 0.00 0.01 0.00 0.00 42.46 39.93 1fle s ILE 129 CO 0.41 0.55 0.68 -0.76 0.00 0.00 0.00 174.94 175.82 1fle s LEU 130 N 0.86 4.53 1.00 2.97 1.02 -1.26 -5.06 118.68 122.74 1fle s LEU 130 Ca -0.06 1.42 -0.12 0.00 0.02 0.00 0.00 54.13 55.39 1fle s LEU 130 Cb -0.15 -3.10 0.19 0.00 0.02 0.00 0.00 46.19 43.14 1fle s LEU 130 CO -0.03 0.19 1.09 0.00 0.02 0.00 0.00 176.35 177.61 1fle s ALA 131 N -0.83 0.89 0.24 4.21 0.00 -1.26 -4.83 121.76 120.18 1fle s ALA 131 Ca 0.33 -0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.71 1fle s ALA 131 Cb -0.21 -3.15 -0.12 0.00 0.00 0.00 0.00 23.12 19.64 1fle s ALA 131 CO 0.22 -2.88 1.60 -1.71 0.00 0.00 0.00 175.76 172.99 1fle n ASN 132 N -4.22 3.61 -1.11 0.00 5.15 -1.26 -2.96 115.26 114.46 1fle n ASN 132 Ca 0.05 1.12 -0.09 0.00 -0.60 0.00 0.00 54.58 55.05 1fle n ASN 132 Cb 0.56 -1.54 -0.00 0.00 -0.53 0.00 0.00 39.78 38.27 1fle n ASN 132 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1fle n ASN 133 N 2.80 -3.26 -4.77 1.20 4.13 0.58 -4.95 115.26 110.99 1fle n ASN 133 Ca 0.12 -0.02 -0.37 0.00 1.68 0.00 0.00 54.58 55.99 1fle n ASN 133 Cb 0.34 -2.50 -0.01 0.00 -1.54 0.00 0.00 39.78 36.07 1fle n ASN 133 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1fle s SER 134 N -2.60 6.20 -0.28 6.41 0.01 -1.16 -4.68 113.70 117.60 1fle s SER 134 Ca 0.01 2.26 -0.29 0.00 1.31 0.00 0.00 55.95 59.24 1fle s SER 134 Cb -0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1fle s SER 134 CO 0.02 -0.90 1.27 -2.16 0.41 0.00 0.00 173.24 171.88 1fle s PRO 135 N -2.73 3.97 0.12 12.44 0.04 -1.26 -1.99 135.00 145.58 1fle s PRO 135 Ca 0.64 1.29 0.04 0.00 0.04 0.00 0.00 61.00 63.00 1fle s PRO 135 Cb -0.27 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 1fle s PRO 135 CO 0.33 -1.04 -0.09 0.00 0.04 0.00 0.00 177.00 176.24 1fle s TYR 137 N -3.16 0.88 -0.03 0.00 2.02 -0.28 -0.19 117.35 116.59 1fle s TYR 137 Ca 0.13 -0.29 -0.11 0.00 -0.37 0.00 0.00 57.07 56.43 1fle s TYR 137 Cb 0.02 -0.80 -0.05 0.00 -0.40 0.00 0.00 41.96 40.72 1fle s TYR 137 CO -0.01 -0.27 0.30 -1.50 -1.57 0.00 0.00 175.55 172.50 1fle s ILE 138 N 1.26 5.22 0.11 2.71 2.07 -0.81 -0.82 121.20 130.95 1fle s ILE 138 Ca -0.05 0.51 0.05 0.00 -1.41 0.00 0.00 60.65 59.75 1fle s ILE 138 Cb -0.14 -3.59 -0.04 0.00 0.13 0.00 0.00 42.46 38.83 1fle s ILE 138 CO -0.02 0.53 -0.12 0.42 -1.91 0.00 0.00 174.94 173.84 1fle s THR 139 N -1.13 1.12 0.00 4.00 -4.23 -1.24 -1.77 115.64 112.40 1fle s THR 139 Ca 0.22 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1fle s THR 139 Cb -0.14 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.27 1fle s THR 139 CO 0.11 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1fle n GLY 140 N 0.57 1.42 1.60 3.99 0.00 -0.78 -4.62 105.19 107.38 1fle n GLY 140 Ca -0.16 -1.03 0.04 0.00 0.00 0.00 0.00 46.02 44.87 1fle n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fle n TRP 141 N -0.71 1.81 -1.18 1.61 8.01 -1.26 -2.23 117.44 123.50 1fle n TRP 141 Ca 0.00 -0.93 -0.29 0.00 -1.31 0.00 0.00 57.50 54.97 1fle n TRP 141 Cb 0.00 -0.50 0.18 0.00 -2.01 0.00 0.00 31.31 28.97 1fle n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1fle s GLY 142 N -1.27 1.56 0.25 6.99 0.00 -1.25 -1.70 107.32 111.90 1fle s GLY 142 Ca 0.51 -0.37 -0.28 0.00 0.00 0.00 0.00 44.72 44.58 1fle s GLY 142 CO 0.13 0.24 0.71 1.04 0.00 0.00 0.00 173.10 175.22 1fle n LEU 143 N -4.18 0.03 -0.80 0.66 4.77 -0.06 -2.83 117.00 114.59 1fle n LEU 143 Ca 0.05 1.13 0.13 0.00 -0.03 0.00 0.00 56.01 57.29 1fle n LEU 143 Cb 0.57 -1.10 0.27 0.00 -2.33 0.00 0.00 43.42 40.83 1fle n LEU 143 CO 0.57 -2.36 0.72 0.35 -1.33 0.00 0.00 177.39 175.34 1fle n THR 144 N 0.01 0.06 -3.49 -5.08 -2.24 -0.93 -1.41 114.28 101.19 1fle n THR 144 Ca 0.14 -0.43 -0.15 0.00 -2.27 0.00 0.00 64.05 61.34 1fle n THR 144 Cb 0.29 1.06 -0.05 0.00 -2.10 0.00 0.00 70.33 69.54 1fle n THR 144 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fle s ARG 145 N -1.94 1.10 0.10 -0.78 1.70 -1.26 -4.40 118.95 113.47 1fle s ARG 145 Ca 0.32 0.01 -0.34 0.00 -0.47 0.00 0.00 55.73 55.25 1fle s ARG 145 Cb 0.20 0.51 -0.14 0.00 -0.57 0.00 0.00 34.95 34.96 1fle s ARG 145 CO 0.31 -0.39 1.62 2.41 -1.08 0.00 0.00 175.30 178.16 1fle n THR 147 N 0.46 0.11 -1.99 4.99 -1.04 -1.26 -0.06 114.28 115.49 1fle n THR 147 Ca -0.18 -0.02 -0.20 0.00 -2.04 0.00 0.00 64.05 61.62 1fle n THR 147 Cb 0.60 -1.54 -0.05 0.00 -1.82 0.00 0.00 70.33 67.52 1fle n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1fle n ASN 148 N 3.95 -5.55 -0.96 8.00 3.02 -1.26 -4.98 115.26 117.48 1fle n ASN 148 Ca 0.18 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 1fle n ASN 148 Cb 0.28 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 34.76 1fle n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fle n GLY 149 N -0.78 1.58 3.58 7.41 0.00 0.92 -5.12 105.19 112.78 1fle n GLY 149 Ca -0.22 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 43.79 1fle n GLY 149 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fle s GLN 150 N 2.70 2.09 0.49 1.61 -0.21 -1.26 -4.90 119.66 120.17 1fle s GLN 150 Ca 0.00 -1.36 -0.24 0.00 0.02 0.00 0.00 55.36 53.78 1fle s GLN 150 Cb 0.00 -2.12 -0.07 0.00 1.00 0.00 0.00 33.01 31.82 1fle s GLN 150 CO 0.00 0.40 1.40 1.28 -2.12 0.00 0.00 175.29 176.26 1fle n LEU 151 N -0.29 5.24 -4.79 2.90 4.77 -1.26 -2.19 117.00 121.39 1fle n LEU 151 Ca -0.09 1.07 -0.32 0.00 -0.03 0.00 0.00 56.01 56.63 1fle n LEU 151 Cb 0.57 -1.59 0.04 0.00 -2.33 0.00 0.00 43.42 40.11 1fle n LEU 151 CO 0.37 -0.33 0.72 0.00 -1.33 0.00 0.00 177.39 176.82 1fle s ALA 152 N -1.23 2.56 -0.16 -1.18 0.00 -0.69 -4.87 121.76 116.20 1fle s ALA 152 Ca 0.65 0.41 0.01 0.00 0.00 0.00 0.00 51.96 53.03 1fle s ALA 152 Cb -0.44 -3.27 -0.23 0.00 0.00 0.00 0.00 23.12 19.19 1fle s ALA 152 CO 0.54 -1.16 0.18 0.94 0.00 0.00 0.00 175.76 176.27 1fle n GLN 153 N -2.49 0.70 -4.22 0.00 7.27 -1.26 -4.82 117.38 112.56 1fle n GLN 153 Ca 0.09 0.20 -0.32 0.00 0.07 0.00 0.00 57.00 57.05 1fle n GLN 153 Cb 0.53 -1.64 -0.08 0.00 2.41 0.00 0.00 30.24 31.45 1fle n GLN 153 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1fle s THR 154 N -2.54 4.10 0.19 1.69 -4.23 -1.26 0.80 115.64 114.39 1fle s THR 154 Ca -0.23 -0.76 -0.32 0.00 -1.18 0.00 0.00 61.69 59.20 1fle s THR 154 Cb 0.07 -2.88 -0.12 0.00 1.34 0.00 0.00 72.50 70.92 1fle s THR 154 CO 0.73 0.27 1.74 -0.22 -0.54 0.00 0.00 174.62 176.59 1fle s LEU 155 N -1.88 4.38 0.26 4.79 2.96 -0.78 -4.84 118.68 123.58 1fle s LEU 155 Ca 0.22 2.84 0.08 0.00 -0.22 0.00 0.00 54.13 57.05 1fle s LEU 155 Cb -0.12 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1fle s LEU 155 CO 0.14 -0.97 0.12 -1.10 -1.32 0.00 0.00 176.35 173.22 1fle s GLN 156 N 1.48 2.66 -0.03 1.98 -1.52 -0.94 -0.00 119.66 123.28 1fle s GLN 156 Ca 0.76 -1.22 -0.09 0.00 -1.95 0.00 0.00 55.36 52.86 1fle s GLN 156 Cb -0.49 -2.39 0.01 0.00 -0.22 0.00 0.00 33.01 29.92 1fle s GLN 156 CO 0.33 0.36 0.20 1.14 -0.25 0.00 0.00 175.29 177.07 1fle s GLN 157 N -3.79 0.43 -0.06 2.91 -2.07 0.19 -1.86 119.66 115.41 1fle s GLN 157 Ca 0.33 -0.09 -0.07 0.00 -1.82 0.00 0.00 55.36 53.71 1fle s GLN 157 Cb -0.07 0.19 0.02 0.00 -1.09 0.00 0.00 33.01 32.06 1fle s GLN 157 CO 0.23 -0.10 0.19 0.00 -1.32 0.00 0.00 175.29 174.30 1fle s ALA 158 N -0.79 -0.48 -0.14 2.60 0.00 -0.73 -1.05 121.76 121.17 1fle s ALA 158 Ca -0.09 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 52.04 1fle s ALA 158 Cb -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1fle s ALA 158 CO 0.02 -0.11 1.34 -0.47 0.00 0.00 0.00 175.76 176.53 1fle s TYR 159 N -0.14 2.67 -0.30 0.00 5.04 -1.26 -1.92 117.35 121.43 1fle s TYR 159 Ca -0.02 0.84 -0.03 0.00 -2.44 0.00 0.00 57.07 55.42 1fle s TYR 159 Cb -0.02 -3.59 0.10 0.00 0.35 0.00 0.00 41.96 38.80 1fle s TYR 159 CO 0.01 -2.15 0.13 -0.51 -1.34 0.00 0.00 175.55 171.69 1fle s LEU 160 N 3.58 1.17 0.43 6.97 1.43 0.74 -4.94 118.68 128.06 1fle s LEU 160 Ca 0.59 -1.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.03 1fle s LEU 160 Cb -0.24 -0.54 -0.09 0.00 0.03 0.00 0.00 46.19 45.36 1fle s LEU 160 CO 0.18 -0.42 0.87 -2.16 0.23 0.00 0.00 176.35 175.05 1fle s PRO 161 N 1.83 4.00 0.50 1.29 0.04 -1.26 -3.70 135.00 137.70 1fle s PRO 161 Ca 0.10 0.83 -0.23 0.00 0.04 0.00 0.00 61.00 61.75 1fle s PRO 161 Cb -0.17 -2.27 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 1fle s PRO 161 CO -0.30 -0.06 1.24 2.41 0.04 0.00 0.00 177.00 180.33 1fle n THR 162 N -1.00 3.22 -4.02 1.26 -1.04 -0.84 -1.07 114.28 110.79 1fle n THR 162 Ca 0.05 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.25 1fle n THR 162 Cb 0.54 -1.52 -0.15 0.00 -1.82 0.00 0.00 70.33 67.38 1fle n THR 162 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1fle s VAL 163 N -1.29 1.99 0.96 12.58 1.01 -0.25 -0.31 120.40 135.09 1fle s VAL 163 Ca 0.67 -1.62 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 1fle s VAL 163 Cb -0.46 -2.19 0.16 0.00 0.00 0.00 0.00 36.38 33.88 1fle s VAL 163 CO 0.53 -0.14 1.04 -0.90 0.00 0.00 0.00 175.10 175.62 1fle n ASP 164 N 4.48 -0.23 -0.22 3.32 5.68 -1.26 -4.09 116.55 124.23 1fle n ASP 164 Ca -0.11 0.32 0.02 0.00 -0.50 0.00 0.00 54.79 54.53 1fle n ASP 164 Cb 0.43 -1.41 0.14 0.00 -1.14 0.00 0.00 41.12 39.13 1fle n ASP 164 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1fle h TYR 165 N -1.98 0.39 -0.53 2.11 3.20 -1.93 0.41 116.97 118.65 1fle h TYR 165 Ca -0.46 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.48 1fle h TYR 165 Cb 1.28 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.45 1fle h TYR 165 CO 0.45 0.06 0.35 0.00 -1.64 0.00 0.00 178.16 177.38 1fle h ALA 166 N 1.48 1.73 0.00 1.82 0.00 -1.97 0.90 119.26 123.21 1fle h ALA 166 Ca 0.35 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1fle h ALA 166 Cb 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1fle h ALA 166 CO -0.36 0.22 -0.38 0.82 0.00 0.00 0.00 179.25 179.55 1fle h ILE 167 N 0.62 0.89 -0.77 0.00 2.04 -1.82 -3.37 117.51 115.10 1fle h ILE 167 Ca 0.21 -1.79 0.12 0.00 1.00 0.00 0.00 64.86 64.41 1fle h ILE 167 Cb 0.08 1.80 -0.09 0.00 -0.74 0.00 0.00 36.82 37.87 1fle h ILE 167 CO -0.05 0.30 0.36 0.00 0.00 0.00 0.00 178.15 178.76 1fle n SER 169 N -4.91 7.12 0.00 0.00 3.41 0.29 -0.04 113.62 119.51 1fle n SER 169 Ca 0.14 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 1fle n SER 169 Cb 0.36 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.73 1fle n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fle n SER 170 N 4.33 0.00 0.00 4.04 3.41 -1.26 -3.20 113.62 120.93 1fle n SER 170 Ca 0.69 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 1fle n SER 170 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1fle n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1fle n TYR 171 N 0.00 0.00 1.11 7.33 4.02 -1.26 -4.84 117.16 123.52 1fle n TYR 171 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 1fle n TYR 171 Cb 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 39.51 1fle n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1fle n TRP 172 N 0.00 0.00 -1.75 -0.72 7.02 0.95 -4.91 117.44 118.03 1fle n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1fle n TRP 172 Cb 0.00 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1fle n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1fle n GLY 173 N 1.32 1.57 0.00 6.99 0.00 -1.20 -1.09 105.19 112.79 1fle n GLY 173 Ca 0.15 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.79 1fle n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fle n SER 174 N -1.74 0.00 -0.17 1.61 3.41 -1.26 -3.32 113.62 112.15 1fle n SER 174 Ca 0.00 0.36 -0.10 0.00 -0.26 0.00 0.00 58.87 58.86 1fle n SER 174 Cb 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1fle n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1fle h THR 175 N 0.00 1.27 -3.41 6.66 2.02 -1.48 -3.43 112.91 114.54 1fle h THR 175 Ca 0.00 -1.16 -0.55 0.00 0.77 0.00 0.00 66.41 65.47 1fle h THR 175 Cb 0.05 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1fle h THR 175 CO 0.00 0.40 0.16 0.54 0.37 0.00 0.00 175.52 176.99 1fle s VAL 176 N -4.90 4.83 0.25 3.16 0.11 -1.21 -4.85 120.40 117.78 1fle s VAL 176 Ca -0.12 1.61 0.07 0.00 -2.93 0.00 0.00 61.98 60.61 1fle s VAL 176 Cb 0.12 -4.11 -0.04 0.00 -1.53 0.00 0.00 36.38 30.82 1fle s VAL 176 CO 0.83 0.32 0.21 -0.54 -3.33 0.00 0.00 175.10 172.59 1fle s LYS 177 N 0.24 2.97 0.00 1.54 3.01 -1.26 -4.87 119.74 121.37 1fle s LYS 177 Ca 0.39 -1.03 0.14 0.00 -1.01 0.00 0.00 55.97 54.46 1fle s LYS 177 Cb -0.20 -2.59 0.60 0.00 -1.01 0.00 0.00 37.83 34.63 1fle s LYS 177 CO 0.22 0.40 1.43 -1.71 0.51 0.00 0.00 175.35 176.21 1fle n ASN 178 N -1.19 0.00 -0.67 2.83 5.15 -1.26 -1.51 115.26 118.61 1fle n ASN 178 Ca -0.08 0.45 0.08 0.00 -0.60 0.00 0.00 54.58 54.43 1fle n ASN 178 Cb 0.58 -0.48 0.24 0.00 -0.53 0.00 0.00 39.78 39.59 1fle n ASN 178 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1fle n SER 179 N -1.48 1.96 -4.46 1.20 3.41 -1.26 -4.87 113.62 108.13 1fle n SER 179 Ca 0.04 -1.90 -0.23 0.00 -0.26 0.00 0.00 58.87 56.52 1fle n SER 179 Cb 0.16 -0.20 -0.10 0.00 -0.26 0.00 0.00 64.21 63.80 1fle n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1fle s MET 180 N -1.59 1.62 -0.09 4.33 -1.94 -0.57 -0.41 119.30 120.65 1fle s MET 180 Ca 0.28 -1.78 0.03 0.00 -1.71 0.00 0.00 55.69 52.51 1fle s MET 180 Cb 0.15 -1.49 0.00 0.00 2.01 0.00 0.00 34.83 35.51 1fle s MET 180 CO 0.21 0.18 -0.21 0.08 -0.01 0.00 0.00 175.02 175.27 1fle s VAL 181 N -2.74 1.83 -0.08 -6.03 1.01 0.64 -4.69 120.40 110.33 1fle s VAL 181 Ca 0.29 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1fle s VAL 181 Cb -0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1fle s VAL 181 CO 0.13 0.51 0.05 0.00 0.00 0.00 0.00 175.10 175.79 1fle s ALA 183 N -0.97 0.28 0.00 0.00 0.00 -0.37 -1.09 121.76 119.63 1fle s ALA 183 Ca 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1fle s ALA 183 Cb -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1fle s ALA 183 CO 0.04 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1fle n GLY 184 N 2.49 0.59 1.21 0.00 0.00 -0.23 -1.32 105.19 107.92 1fle n GLY 184 Ca -0.16 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1fle n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fle n GLY 185 N 0.00 0.83 0.19 -0.02 0.00 -1.26 -4.60 105.19 100.32 1fle n GLY 185 Ca 0.00 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.55 1fle n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fle n ASP 186 N 1.21 0.86 0.00 1.61 5.75 -1.26 -0.37 116.55 124.35 1fle n ASP 186 Ca 0.00 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 1fle n ASP 186 Cb 0.16 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1fle n ASP 186 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fle n GLY 187 N 1.36 0.74 0.16 6.12 0.00 -1.26 -4.76 105.19 107.55 1fle n GLY 187 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1fle n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1fle n VAL 188 N -2.51 0.00 -4.73 1.61 0.31 -1.26 -4.68 118.33 107.07 1fle n VAL 188 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1fle n VAL 188 Cb 0.00 -0.65 -0.13 0.00 -0.91 0.00 0.00 33.84 32.14 1fle n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1fle s ARG 188 N -1.99 1.99 -0.15 5.55 0.52 -1.26 -3.51 118.95 120.10 1fle s ARG 188 Ca 0.00 -1.02 -0.34 0.00 -0.52 0.00 0.00 55.73 53.85 1fle s ARG 188 Cb 0.00 -2.13 0.15 0.00 0.52 0.00 0.00 34.95 33.49 1fle s ARG 188 CO 0.00 0.53 1.39 -1.54 0.02 0.00 0.00 175.30 175.70 1fle s SER 189 N -1.38 -0.02 0.65 0.23 1.04 -0.39 -4.27 113.70 109.56 1fle s SER 189 Ca 0.14 -0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.46 1fle s SER 189 Cb -0.10 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.07 1fle s SER 189 CO 0.04 -0.07 0.99 -0.83 0.98 0.00 0.00 173.24 174.35 1fle s GLY 190 N -2.65 1.62 0.27 7.32 0.00 -1.26 0.43 107.32 113.05 1fle s GLY 190 Ca 0.14 -0.59 -0.12 0.00 0.00 0.00 0.00 44.72 44.14 1fle s GLY 190 CO -0.05 -0.26 0.52 0.00 0.00 0.00 0.00 173.10 173.30 1fle n GLN 192 N -0.42 0.79 -0.07 0.00 3.00 -1.26 -1.57 117.38 117.85 1fle n GLN 192 Ca -0.02 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 1fle n GLN 192 Cb 0.61 -1.84 0.00 0.00 0.00 0.00 0.00 30.24 29.01 1fle n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fle n GLY 193 N 2.13 0.48 0.08 1.08 0.00 -1.26 -0.88 105.19 106.82 1fle n GLY 193 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 1fle n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fle n ASP 194 N 0.00 0.61 -4.29 1.61 8.00 -0.61 -3.97 116.55 117.90 1fle n ASP 194 Ca 0.00 0.26 -0.40 0.00 0.71 0.00 0.00 54.79 55.36 1fle n ASP 194 Cb 0.00 0.63 0.01 0.00 -0.02 0.00 0.00 41.12 41.74 1fle n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1fle n SER 195 N -2.72 -3.05 0.00 -2.24 7.64 -1.26 -2.00 113.62 109.99 1fle n SER 195 Ca -0.10 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1fle n SER 195 Cb 0.78 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1fle n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fle n GLY 196 N 2.35 1.75 3.95 0.23 0.00 0.71 -0.59 105.19 113.58 1fle n GLY 196 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1fle n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fle s GLY 197 N -2.00 1.73 0.74 -0.02 0.00 -0.85 -2.98 107.32 103.94 1fle s GLY 197 Ca 0.00 -1.13 -0.11 0.00 0.00 0.00 0.00 44.72 43.48 1fle s GLY 197 CO 0.00 -0.69 1.08 2.56 0.00 0.00 0.00 173.10 176.04 1fle s PRO 198 N -5.20 2.56 -0.28 2.90 0.04 -1.26 -0.80 135.00 132.95 1fle s PRO 198 Ca 0.62 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.74 1fle s PRO 198 Cb -0.09 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.59 1fle s PRO 198 CO 0.44 -1.40 -0.01 -1.17 0.04 0.00 0.00 177.00 174.90 1fle s LEU 199 N -5.75 3.21 -0.24 -3.56 2.96 -0.98 -3.58 118.68 110.74 1fle s LEU 199 Ca 0.60 -1.54 -0.17 0.00 -0.22 0.00 0.00 54.13 52.80 1fle s LEU 199 Cb -0.16 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 1fle s LEU 199 CO 0.56 -0.30 0.46 -1.00 -1.32 0.00 0.00 176.35 174.74 1fle s HIS 200 N 1.26 3.31 0.09 5.38 3.76 0.00 -1.88 115.29 127.22 1fle s HIS 200 Ca 0.01 0.61 0.09 0.00 -0.15 0.00 0.00 55.06 55.62 1fle s HIS 200 Cb -0.19 -2.63 -0.03 0.00 1.11 0.00 0.00 32.58 30.84 1fle s HIS 200 CO -0.10 -0.17 -0.24 0.00 -0.85 0.00 0.00 174.74 173.39 1fle s LEU 202 N -1.73 3.55 -0.04 0.00 2.96 -0.40 -1.57 118.68 121.45 1fle s LEU 202 Ca 0.10 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1fle s LEU 202 Cb -0.10 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.68 1fle s LEU 202 CO 0.04 -0.05 0.06 0.68 -1.32 0.00 0.00 176.35 175.75 1fle s VAL 203 N 1.62 -0.07 -1.48 1.68 -7.23 -0.60 -4.46 120.40 109.86 1fle s VAL 203 Ca 0.06 0.40 -0.08 0.00 -1.81 0.00 0.00 61.98 60.55 1fle s VAL 203 Cb -0.15 -0.18 0.06 0.00 0.56 0.00 0.00 36.38 36.66 1fle s VAL 203 CO 0.04 0.18 0.77 0.59 -0.31 0.00 0.00 175.10 176.37 1fle n ASN 204 N 5.29 -2.75 -0.35 4.85 3.02 -1.26 -1.79 115.26 122.28 1fle n ASN 204 Ca -0.03 -0.88 -0.05 0.00 -0.03 0.00 0.00 54.58 53.60 1fle n ASN 204 Cb 0.50 -3.57 -0.02 0.00 -0.61 0.00 0.00 39.78 36.08 1fle n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fle n GLY 205 N -1.68 0.69 2.94 7.41 0.00 -1.26 -5.02 105.19 108.27 1fle n GLY 205 Ca -0.11 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 1fle n GLY 205 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fle s GLN 206 N -1.83 0.52 0.12 1.61 -0.44 -0.74 -5.15 119.66 113.75 1fle s GLN 206 Ca 0.00 -0.15 -0.17 0.00 -2.50 0.00 0.00 55.36 52.53 1fle s GLN 206 Cb 0.00 -0.52 -0.07 0.00 -1.64 0.00 0.00 33.01 30.78 1fle s GLN 206 CO 0.00 0.06 0.57 0.71 0.50 0.00 0.00 175.29 177.13 1fle s TYR 207 N 0.19 3.71 0.11 1.67 2.02 -1.25 -1.55 117.35 122.24 1fle s TYR 207 Ca -0.02 1.19 -0.12 0.00 -0.37 0.00 0.00 57.07 57.75 1fle s TYR 207 Cb -0.06 -2.45 0.02 0.00 -0.40 0.00 0.00 41.96 39.06 1fle s TYR 207 CO -0.00 0.50 0.30 0.00 -1.57 0.00 0.00 175.55 174.77 1fle s ALA 208 N -1.29 -0.57 -0.59 3.71 0.00 -0.61 -4.78 121.76 117.62 1fle s ALA 208 Ca 0.34 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.74 1fle s ALA 208 Cb -0.17 0.59 0.07 0.00 0.00 0.00 0.00 23.12 23.62 1fle s ALA 208 CO 0.19 -0.58 0.82 0.08 0.00 0.00 0.00 175.76 176.27 1fle s VAL 209 N -3.83 4.59 -0.18 0.00 1.01 0.30 -0.90 120.40 121.39 1fle s VAL 209 Ca 0.04 -0.49 0.21 0.00 0.00 0.00 0.00 61.98 61.74 1fle s VAL 209 Cb 0.03 -4.53 -0.09 0.00 0.00 0.00 0.00 36.38 31.79 1fle s VAL 209 CO -0.11 -1.18 0.88 1.41 0.00 0.00 0.00 175.10 176.10 1fle n HIS 210 N 6.95 0.77 -4.17 5.22 8.25 -0.79 -4.20 115.22 127.26 1fle n HIS 210 Ca -0.05 0.23 -0.11 0.00 -0.26 0.00 0.00 57.72 57.52 1fle n HIS 210 Cb 0.45 -0.90 -0.10 0.00 1.12 0.00 0.00 29.99 30.56 1fle n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1fle s GLY 211 N -4.48 0.79 -0.26 -1.41 0.00 -1.07 -2.21 107.32 98.68 1fle s GLY 211 Ca -0.02 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.39 1fle s GLY 211 CO 0.82 -1.43 -0.07 0.14 0.00 0.00 0.00 173.10 172.55 1fle s VAL 212 N -3.43 1.99 0.03 1.40 1.01 -0.99 -2.32 120.40 118.10 1fle s VAL 212 Ca 0.11 -1.61 -0.36 0.00 0.00 0.00 0.00 61.98 60.12 1fle s VAL 212 Cb 0.04 -2.19 -0.15 0.00 0.00 0.00 0.00 36.38 34.08 1fle s VAL 212 CO -0.04 -0.13 1.55 0.41 0.00 0.00 0.00 175.10 176.90 1fle n THR 213 N 4.48 0.13 0.00 3.92 -1.04 0.02 -1.63 114.28 120.15 1fle n THR 213 Ca -0.11 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1fle n THR 213 Cb 0.43 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1fle n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1fle n SER 214 N 3.79 0.00 -3.98 8.00 2.88 -0.28 -0.21 113.62 123.82 1fle n SER 214 Ca 0.20 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1fle n SER 214 Cb 0.22 -0.20 -0.07 0.00 -0.75 0.00 0.00 64.21 63.41 1fle n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1fle s PHE 215 N -0.96 0.43 0.30 0.66 -0.12 -1.07 -4.90 117.98 112.32 1fle s PHE 215 Ca 0.00 -0.79 0.04 0.00 -0.05 0.00 0.00 56.93 56.13 1fle s PHE 215 Cb 0.00 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.30 1fle s PHE 215 CO 0.00 -0.75 0.18 0.14 -0.05 0.00 0.00 175.22 174.74 1fle s VAL 216 N -3.98 0.22 0.70 -2.49 -7.23 -1.26 -1.66 120.40 104.69 1fle s VAL 216 Ca 0.19 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.22 1fle s VAL 216 Cb 0.03 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.49 1fle s VAL 216 CO 0.02 0.00 1.12 -0.55 -0.31 0.00 0.00 175.10 175.38 1fle s SER 217 N -3.35 4.80 0.28 4.85 0.15 -1.21 -4.96 113.70 114.26 1fle s SER 217 Ca 0.37 2.03 0.14 0.00 0.70 0.00 0.00 55.95 59.19 1fle s SER 217 Cb 0.05 -2.55 0.20 0.00 -1.71 0.00 0.00 66.02 62.00 1fle s SER 217 CO 0.19 -1.84 1.50 -0.09 1.20 0.00 0.00 173.24 174.20 1fle h ARG 217 N -0.27 0.00 0.00 5.44 2.43 -2.01 -3.19 114.38 116.78 1fle h ARG 217 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1fle h ARG 217 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1fle h ARG 217 CO 0.53 0.56 0.00 -0.07 -1.51 0.00 0.00 179.97 179.47 1fle h LEU 218 N 0.00 0.00 0.00 3.80 3.38 -2.03 -3.48 115.31 116.98 1fle h LEU 218 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1fle h LEU 218 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1fle h LEU 218 CO 0.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1fle n GLY 219 N 0.36 2.11 0.16 0.83 0.00 -1.21 -5.04 105.19 102.41 1fle n GLY 219 Ca 0.02 -1.14 -0.05 0.00 0.00 0.00 0.00 46.02 44.85 1fle n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fle s ASN 221 N -4.54 6.53 -0.10 0.00 4.22 -1.26 -4.65 114.94 115.13 1fle s ASN 221 Ca -0.05 -2.00 0.02 0.00 -2.14 0.00 0.00 52.86 48.69 1fle s ASN 221 Cb 0.01 -2.33 0.01 0.00 1.28 0.00 0.00 41.25 40.22 1fle s ASN 221 CO 0.15 -0.97 -0.17 -0.69 -2.04 0.00 0.00 177.10 173.38 1fle s VAL 221 N 2.11 1.62 -0.03 3.54 1.01 -1.26 -4.71 120.40 122.68 1fle s VAL 221 Ca 0.23 -0.73 -0.35 0.00 0.00 0.00 0.00 61.98 61.13 1fle s VAL 221 Cb -0.12 -1.45 -0.13 0.00 0.00 0.00 0.00 36.38 34.68 1fle s VAL 221 CO -0.04 0.46 1.76 0.41 0.00 0.00 0.00 175.10 177.69 1fle n THR 222 N 4.00 0.36 -2.06 3.92 -1.04 -1.26 -1.03 114.28 117.17 1fle n THR 222 Ca -0.20 -0.07 -0.13 0.00 -2.04 0.00 0.00 64.05 61.61 1fle n THR 222 Cb 0.52 -1.66 -0.02 0.00 -1.82 0.00 0.00 70.33 67.35 1fle n THR 222 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1fle n ARG 223 N 5.41 -1.04 -3.44 -2.82 1.74 0.51 -4.92 116.66 112.09 1fle n ARG 223 Ca 0.21 0.72 -0.26 0.00 -0.77 0.00 0.00 57.85 57.75 1fle n ARG 223 Cb 0.27 -4.93 -0.09 0.00 -1.02 0.00 0.00 32.46 26.69 1fle n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1fle n LYS 224 N -2.36 0.86 -0.92 5.56 4.76 -0.20 -4.32 118.16 121.54 1fle n LYS 224 Ca -0.15 -3.59 -0.30 0.00 -2.87 0.00 0.00 58.31 51.40 1fle n LYS 224 Cb 0.58 -1.74 0.16 0.00 -1.84 0.00 0.00 35.03 32.19 1fle n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1fle s PRO 225 N -0.79 0.91 0.28 1.97 0.04 -1.26 -4.25 135.00 131.89 1fle s PRO 225 Ca 0.33 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 1fle s PRO 225 Cb 0.07 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.77 1fle s PRO 225 CO -0.15 -2.57 1.08 0.99 0.04 0.00 0.00 177.00 176.39 1fle s THR 226 N -2.75 3.54 -0.10 1.26 2.01 -0.44 -4.76 115.64 114.41 1fle s THR 226 Ca 0.65 1.56 -0.01 0.00 0.31 0.00 0.00 61.69 64.19 1fle s THR 226 Cb -0.21 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 1fle s THR 226 CO 0.59 0.37 -0.05 -0.69 -0.69 0.00 0.00 174.62 174.15 1fle s VAL 227 N -1.16 3.84 0.14 3.82 1.01 -0.66 -1.23 120.40 126.15 1fle s VAL 227 Ca 0.44 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1fle s VAL 227 Cb -0.31 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1fle s VAL 227 CO 0.40 0.56 -0.12 -0.36 0.00 0.00 0.00 175.10 175.59 1fle s PHE 228 N -0.37 1.31 -0.08 5.22 0.40 -0.14 -1.13 117.98 123.19 1fle s PHE 228 Ca 0.06 -0.67 -0.30 0.00 -0.60 0.00 0.00 56.93 55.42 1fle s PHE 228 Cb -0.12 -0.67 -0.02 0.00 0.51 0.00 0.00 43.02 42.71 1fle s PHE 228 CO 0.02 0.11 1.09 0.99 0.70 0.00 0.00 175.22 178.14 1fle s THR 229 N -2.82 4.55 -0.56 0.64 2.01 -0.65 -0.26 115.64 118.55 1fle s THR 229 Ca 0.13 1.84 -0.28 0.00 0.31 0.00 0.00 61.69 63.69 1fle s THR 229 Cb -0.01 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.34 1fle s THR 229 CO 0.02 0.01 1.36 -0.60 -0.69 0.00 0.00 174.62 174.72 1fle s ARG 230 N 2.05 3.36 0.25 4.92 3.52 0.46 -2.34 118.95 131.17 1fle s ARG 230 Ca 0.52 0.42 -0.04 0.00 -0.13 0.00 0.00 55.73 56.50 1fle s ARG 230 Cb -0.21 -4.09 0.48 0.00 -1.56 0.00 0.00 34.95 29.56 1fle s ARG 230 CO 0.20 -1.86 1.72 0.28 -0.81 0.00 0.00 175.30 174.83 1fle h VAL 231 N 6.32 0.64 -0.26 7.11 2.07 -1.75 -1.91 116.25 128.47 1fle h VAL 231 Ca -0.26 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.18 1fle h VAL 231 Cb 1.08 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1fle h VAL 231 CO 1.18 0.08 0.35 0.77 0.02 0.00 0.00 177.57 179.96 1fle h SER 232 N 0.43 0.00 0.94 0.57 4.64 -1.87 0.12 113.55 118.38 1fle h SER 232 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1fle h SER 232 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1fle h SER 232 CO -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.54 1fle n ALA 233 N -2.25 2.22 -0.04 5.18 0.00 -0.72 -1.80 120.51 123.11 1fle n ALA 233 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1fle n ALA 233 Cb 0.48 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1fle n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fle n TYR 234 N -1.53 0.00 -0.28 0.00 4.01 0.40 -4.81 117.16 114.94 1fle n TYR 234 Ca 0.06 -0.24 0.10 0.00 -0.16 0.00 0.00 57.90 57.67 1fle n TYR 234 Cb 0.32 -0.02 0.25 0.00 -0.31 0.00 0.00 39.34 39.57 1fle n TYR 234 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1fle h ILE 235 N 0.07 0.38 -0.35 -0.72 1.08 -1.65 0.27 117.51 116.59 1fle h ILE 235 Ca 0.00 -0.08 -0.13 0.00 -0.39 0.00 0.00 64.86 64.26 1fle h ILE 235 Cb 0.26 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 1fle h ILE 235 CO 0.00 0.04 -0.33 0.77 -0.69 0.00 0.00 178.15 177.95 1fle h SER 236 N 0.23 0.81 -0.07 1.72 4.64 -1.90 -0.16 113.55 118.82 1fle h SER 236 Ca 0.51 -0.34 0.01 0.00 -0.47 0.00 0.00 61.79 61.50 1fle h SER 236 Cb 0.97 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1fle h SER 236 CO -0.61 1.06 0.01 -0.25 -0.87 0.00 0.00 176.83 176.17 1fle h TRP 237 N 0.65 0.01 -0.24 4.77 7.01 -1.56 -0.38 115.95 126.20 1fle h TRP 237 Ca 0.07 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.13 1fle h TRP 237 Cb 0.86 0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.87 1fle h TRP 237 CO 0.05 0.00 -0.15 0.82 -2.79 0.00 0.00 178.44 176.36 1fle h ILE 238 N 0.03 0.55 -0.54 2.65 2.04 -0.82 -1.15 117.51 120.28 1fle h ILE 238 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1fle h ILE 238 Cb 0.03 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 1fle h ILE 238 CO -0.05 0.00 0.28 0.78 0.00 0.00 0.00 178.15 179.16 1fle h ASN 239 N -0.14 0.39 -0.10 1.72 -0.26 -0.88 -1.98 115.58 114.34 1fle h ASN 239 Ca 0.13 0.03 -0.14 0.00 -0.56 0.00 0.00 56.30 55.77 1fle h ASN 239 Cb 0.34 -0.04 0.01 0.00 -1.06 0.00 0.00 38.32 37.57 1fle h ASN 239 CO -0.33 0.27 -0.48 0.78 -1.06 0.00 0.00 177.43 176.61 1fle h ASN 240 N 0.53 0.59 -0.12 5.81 4.21 -0.50 -2.79 115.58 123.31 1fle h ASN 240 Ca 0.24 -0.64 0.04 0.00 1.21 0.00 0.00 56.30 57.15 1fle h ASN 240 Cb 0.16 -0.17 -0.05 0.00 -1.12 0.00 0.00 38.32 37.13 1fle h ASN 240 CO -0.17 1.14 -0.21 0.58 -1.29 0.00 0.00 177.43 177.48 1fle h VAL 241 N 0.08 0.48 -0.81 2.81 2.07 -1.09 -2.31 116.25 117.48 1fle h VAL 241 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1fle h VAL 241 Cb 1.12 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1fle h VAL 241 CO 0.10 0.00 0.38 0.40 0.02 0.00 0.00 177.57 178.47 1fle h ILE 242 N -0.27 1.25 -0.24 4.57 2.04 -1.47 -0.48 117.51 122.92 1fle h ILE 242 Ca 0.10 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 1fle h ILE 242 Cb 0.41 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1fle h ILE 242 CO -0.27 0.31 -0.09 0.00 0.00 0.00 0.00 178.15 178.09 1fle h ALA 243 N 1.26 1.40 -0.23 1.87 0.00 -1.27 -3.26 119.26 119.03 1fle h ALA 243 Ca 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1fle h ALA 243 Cb 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1fle h ALA 243 CO -0.03 0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.50 1fle n SER 244 N -4.26 3.01 0.00 0.00 3.41 -0.89 -5.10 113.62 109.80 1fle n SER 244 Ca 0.00 -2.42 0.00 0.00 -0.26 0.00 0.00 58.87 56.20 1fle n SER 244 Cb 0.28 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1fle n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47