#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mrw s VAL 2 N 0.00 0.85 0.11 2.53 -7.23 -0.77 -5.01 120.40 110.88 3mrw s VAL 2 Ca 0.00 -1.35 0.04 0.00 -1.81 0.00 0.00 61.98 58.86 3mrw s VAL 2 Cb 0.00 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 3mrw s VAL 2 CO 0.00 -0.40 -0.11 -0.44 -0.31 0.00 0.00 175.10 173.84 3mrw s SER 3 N -1.94 1.63 -0.13 4.85 0.01 -1.26 -0.21 113.70 116.65 3mrw s SER 3 Ca -0.02 -0.86 -0.07 0.00 1.31 0.00 0.00 55.95 56.31 3mrw s SER 3 Cb -0.07 -0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.20 3mrw s SER 3 CO 0.01 -0.26 0.30 0.12 0.41 0.00 0.00 173.24 173.82 3mrw s PHE 4 N -2.61 -0.43 -0.17 2.43 5.36 -0.23 -4.80 117.98 117.53 3mrw s PHE 4 Ca 0.09 0.97 -0.05 0.00 -0.96 0.00 0.00 56.93 56.97 3mrw s PHE 4 Cb -0.02 0.12 -0.03 0.00 -0.34 0.00 0.00 43.02 42.75 3mrw s PHE 4 CO 0.01 -0.27 -0.00 1.03 -1.46 0.00 0.00 175.22 174.52 3mrw s ARG 5 N 1.32 3.78 0.31 10.12 0.52 -1.26 -1.31 118.95 132.44 3mrw s ARG 5 Ca -0.09 -0.46 0.17 0.00 -0.52 0.00 0.00 55.73 54.83 3mrw s ARG 5 Cb -0.10 -3.03 0.13 0.00 0.52 0.00 0.00 34.95 32.47 3mrw s ARG 5 CO -0.10 0.25 1.47 -0.07 0.02 0.00 0.00 175.30 176.87 3mrw h LEU 6 N 6.71 0.00 -9.18 2.53 -0.00 -1.32 -3.35 115.31 110.71 3mrw h LEU 6 Ca -0.33 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 56.99 3mrw h LEU 6 Cb 1.18 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.81 3mrw h LEU 6 CO 0.66 0.38 0.99 -0.55 -0.00 0.00 0.00 178.44 179.91 3mrw s SER 7 N -6.38 6.79 0.00 -0.43 0.15 -1.26 -1.98 113.70 110.59 3mrw s SER 7 Ca 0.05 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.57 3mrw s SER 7 Cb 0.07 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3mrw s SER 7 CO 0.73 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3mrw n GLY 8 N 3.90 0.62 3.76 9.45 0.00 -1.26 -5.01 105.19 116.64 3mrw n GLY 8 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3mrw n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mrw s ALA 9 N -2.64 2.96 0.25 4.61 0.00 -0.84 -4.98 121.76 121.11 3mrw s ALA 9 Ca 0.00 1.32 -0.02 0.00 0.00 0.00 0.00 51.96 53.26 3mrw s ALA 9 Cb 0.00 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.58 3mrw s ALA 9 CO 0.00 -1.23 0.35 -0.40 0.00 0.00 0.00 175.76 174.48 3mrw n ASP 10 N -0.72 -0.98 -0.18 0.00 5.75 -1.26 -5.01 116.55 114.14 3mrw n ASP 10 Ca 0.08 -2.30 0.06 0.00 -0.01 0.00 0.00 54.79 52.63 3mrw n ASP 10 Cb 0.44 1.82 0.35 0.00 -1.03 0.00 0.00 41.12 42.70 3mrw n ASP 10 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3mrw h PRO 11 N 0.00 0.74 -0.24 0.11 0.11 -1.96 -1.16 132.00 129.60 3mrw h PRO 11 Ca -0.19 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.80 3mrw h PRO 11 Cb 0.83 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 3mrw h PRO 11 CO 0.26 0.49 -0.14 1.03 -0.21 0.00 0.00 178.00 179.43 3mrw h SER 12 N 0.76 0.53 0.26 -2.05 0.87 -1.97 -0.41 113.55 111.54 3mrw h SER 12 Ca 0.31 -0.42 -0.12 0.00 -1.23 0.00 0.00 61.79 60.33 3mrw h SER 12 Cb 0.24 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3mrw h SER 12 CO -0.10 0.84 -0.45 0.77 -0.53 0.00 0.00 176.83 177.36 3mrw h SER 13 N 0.23 0.26 -0.10 6.23 4.64 -1.83 -0.84 113.55 122.13 3mrw h SER 13 Ca 0.05 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 3mrw h SER 13 Cb 0.65 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3mrw h SER 13 CO 0.04 0.68 0.03 0.22 -0.87 0.00 0.00 176.83 176.93 3mrw h TYR 14 N 0.20 0.16 -0.87 4.77 3.20 -1.16 -1.35 116.97 121.91 3mrw h TYR 14 Ca 0.01 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.98 3mrw h TYR 14 Cb 0.88 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 3mrw h TYR 14 CO 0.02 0.31 0.56 0.78 -1.64 0.00 0.00 178.16 178.19 3mrw h GLY 15 N -0.03 1.23 1.01 1.82 0.00 -0.77 -0.77 103.07 105.55 3mrw h GLY 15 Ca 0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 3mrw h GLY 15 CO -0.00 0.16 0.23 -0.33 0.00 0.00 0.00 176.54 176.60 3mrw h MET 16 N 0.80 0.96 -0.33 4.80 2.86 -0.90 -0.02 114.93 123.10 3mrw h MET 16 Ca 0.42 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 3mrw h MET 16 Cb 0.51 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3mrw h MET 16 CO -0.18 0.83 0.15 0.35 1.06 0.00 0.00 176.91 179.12 3mrw h PHE 17 N 0.89 0.49 -0.47 -0.22 3.57 -0.62 0.88 116.94 121.45 3mrw h PHE 17 Ca 0.21 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 3mrw h PHE 17 Cb 0.24 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3mrw h PHE 17 CO 0.02 0.43 -0.05 0.82 -2.23 0.00 0.00 178.31 177.30 3mrw h ILE 18 N 0.40 1.25 0.14 1.41 1.08 -0.91 0.28 117.51 121.16 3mrw h ILE 18 Ca 0.11 -1.09 0.01 0.00 -0.39 0.00 0.00 64.86 63.50 3mrw h ILE 18 Cb 0.14 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 3mrw h ILE 18 CO -0.01 0.38 -0.21 0.50 -0.69 0.00 0.00 178.15 178.12 3mrw h LYS 19 N 0.75 -0.40 -0.67 2.37 3.64 -0.71 -0.42 116.57 121.13 3mrw h LYS 19 Ca 0.14 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 3mrw h LYS 19 Cb 0.52 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 3mrw h LYS 19 CO 0.03 -0.27 0.34 -0.44 -2.27 0.00 0.00 179.45 176.84 3mrw h ASP 20 N -0.41 0.46 -0.51 4.20 3.32 -0.29 -0.89 116.42 122.30 3mrw h ASP 20 Ca 0.02 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3mrw h ASP 20 Cb 0.42 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3mrw h ASP 20 CO -0.10 0.28 0.27 0.25 -1.72 0.00 0.00 179.24 178.22 3mrw h LEU 21 N 0.60 0.65 -0.50 1.55 5.85 -0.65 0.15 115.31 122.96 3mrw h LEU 21 Ca 0.32 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3mrw h LEU 21 Cb 0.29 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3mrw h LEU 21 CO -0.23 0.57 0.16 0.03 -0.34 0.00 0.00 178.44 178.62 3mrw h ARG 22 N 0.68 0.78 0.00 1.25 3.08 -0.50 -2.55 114.38 117.12 3mrw h ARG 22 Ca 0.18 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3mrw h ARG 22 Cb 0.07 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3mrw h ARG 22 CO -0.03 0.73 0.00 0.09 -1.07 0.00 0.00 179.97 179.69 3mrw n ASN 23 N -4.50 0.79 0.04 7.04 5.03 -0.39 -2.10 115.26 121.18 3mrw n ASN 23 Ca 0.02 0.62 0.13 0.00 0.87 0.00 0.00 54.58 56.21 3mrw n ASN 23 Cb 0.20 -0.82 0.50 0.00 -1.02 0.00 0.00 39.78 38.64 3mrw n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3mrw n ALA 24 N -1.79 2.17 -2.69 5.41 0.00 0.01 -4.79 120.51 118.83 3mrw n ALA 24 Ca 0.04 -0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 3mrw n ALA 24 Cb 0.35 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 3mrw n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mrw s LEU 25 N -3.59 4.20 0.46 0.00 1.43 -0.89 -5.03 118.68 115.26 3mrw s LEU 25 Ca 0.11 0.73 -0.21 0.00 -1.03 0.00 0.00 54.13 53.74 3mrw s LEU 25 Cb 0.15 -2.70 -0.10 0.00 0.03 0.00 0.00 46.19 43.58 3mrw s LEU 25 CO 0.50 -0.10 1.00 -2.16 0.23 0.00 0.00 176.35 175.83 3mrw s PRO 26 N 1.18 4.00 -0.02 1.29 0.04 -1.26 -5.05 135.00 135.18 3mrw s PRO 26 Ca 0.25 1.28 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 3mrw s PRO 26 Cb -0.15 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.26 3mrw s PRO 26 CO 0.10 -0.24 0.42 -3.38 0.04 0.00 0.00 177.00 173.93 3mrw s HIS 27 N -2.03 -0.31 -0.21 0.56 -3.43 -1.26 -3.92 115.29 104.69 3mrw s HIS 27 Ca 0.64 0.49 0.12 0.00 -0.80 0.00 0.00 55.06 55.51 3mrw s HIS 27 Cb -0.14 0.19 -0.16 0.00 -1.43 0.00 0.00 32.58 31.04 3mrw s HIS 27 CO 0.18 -0.46 0.34 0.25 -2.00 0.00 0.00 174.74 173.05 3mrw n THR 28 N 1.11 0.00 -3.92 -5.38 -2.24 -1.26 -5.05 114.28 97.55 3mrw n THR 28 Ca -0.21 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 3mrw n THR 28 Cb 0.57 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 69.20 3mrw n THR 28 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3mrw s GLU 29 N -2.55 0.33 0.11 -0.78 2.12 -1.26 -5.09 118.70 111.58 3mrw s GLU 29 Ca -0.01 -0.41 0.05 0.00 0.36 0.00 0.00 54.97 54.97 3mrw s GLU 29 Cb 0.08 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.56 3mrw s GLU 29 CO 0.48 -0.07 -0.01 0.15 -0.54 0.00 0.00 175.26 175.28 3mrw s LYS 30 N -1.16 2.49 -0.18 4.30 1.02 -1.26 -1.20 119.74 123.74 3mrw s LYS 30 Ca -0.13 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 54.97 3mrw s LYS 30 Cb -0.07 -2.49 0.04 0.00 -0.52 0.00 0.00 37.83 34.78 3mrw s LYS 30 CO 0.00 0.52 -0.12 0.08 -0.92 0.00 0.00 175.35 174.92 3mrw s VAL 31 N -1.37 1.64 -1.45 3.17 1.01 -0.46 -4.62 120.40 118.30 3mrw s VAL 31 Ca 0.26 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 3mrw s VAL 31 Cb -0.11 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.67 3mrw s VAL 31 CO 0.18 0.27 0.88 -1.22 0.00 0.00 0.00 175.10 175.21 3mrw n TYR 32 N 4.71 -2.17 -1.05 5.22 4.01 -1.26 -1.02 117.16 125.60 3mrw n TYR 32 Ca -0.16 0.88 -0.02 0.00 -0.16 0.00 0.00 57.90 58.45 3mrw n TYR 32 Cb 0.48 -4.13 -0.01 0.00 -0.31 0.00 0.00 39.34 35.37 3mrw n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3mrw n ASN 33 N -2.92 -4.75 -4.47 7.72 5.15 -1.26 -4.97 115.26 109.76 3mrw n ASN 33 Ca -0.08 0.04 -0.34 0.00 -0.60 0.00 0.00 54.58 53.60 3mrw n ASN 33 Cb 0.58 -2.39 -0.12 0.00 -0.53 0.00 0.00 39.78 37.32 3mrw n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3mrw s ILE 34 N -1.54 3.82 0.20 -1.44 1.01 -0.19 -5.02 121.20 118.03 3mrw s ILE 34 Ca 0.00 -0.38 -0.33 0.00 0.00 0.00 0.00 60.65 59.95 3mrw s ILE 34 Cb 0.00 -2.68 -0.14 0.00 0.01 0.00 0.00 42.46 39.65 3mrw s ILE 34 CO 0.00 0.48 1.37 -2.65 0.00 0.00 0.00 174.94 174.14 3mrw n PRO 35 N 3.72 1.76 -3.40 2.79 -0.02 -1.26 -1.36 135.00 137.23 3mrw n PRO 35 Ca -0.17 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 3mrw n PRO 35 Cb 0.52 -2.27 -0.09 0.00 -0.02 0.00 0.00 33.50 31.64 3mrw n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3mrw s LEU 36 N 0.41 4.76 0.85 2.45 2.96 -0.34 -1.17 118.68 128.60 3mrw s LEU 36 Ca 0.73 -0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 53.96 3mrw s LEU 36 Cb -0.73 -2.29 0.11 0.00 0.50 0.00 0.00 46.19 43.78 3mrw s LEU 36 CO 0.48 -0.44 1.13 -0.76 -1.32 0.00 0.00 176.35 175.44 3mrw s LEU 37 N 1.94 2.93 0.48 -0.68 1.43 0.40 -4.34 118.68 120.84 3mrw s LEU 37 Ca 0.09 2.05 -0.22 0.00 -1.03 0.00 0.00 54.13 55.03 3mrw s LEU 37 Cb -0.17 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.42 3mrw s LEU 37 CO 0.12 -2.67 1.12 -0.76 0.23 0.00 0.00 176.35 174.38 3mrw s LEU 38 N -6.30 3.93 0.27 1.79 1.43 -1.25 -4.15 118.68 114.39 3mrw s LEU 38 Ca 0.65 2.18 -0.04 0.00 -1.03 0.00 0.00 54.13 55.89 3mrw s LEU 38 Cb -0.21 -4.38 0.34 0.00 0.03 0.00 0.00 46.19 41.98 3mrw s LEU 38 CO 0.57 -0.93 1.90 -0.65 0.23 0.00 0.00 176.35 177.47 3mrw h PRO 39 N 1.79 1.11 -2.58 1.29 0.11 -1.93 -3.44 132.00 128.36 3mrw h PRO 39 Ca -0.49 -0.12 0.10 0.00 0.11 0.00 0.00 66.00 65.60 3mrw h PRO 39 Cb 1.24 -0.22 -0.10 0.00 0.11 0.00 0.00 31.00 32.03 3mrw h PRO 39 CO 0.59 0.81 0.39 -1.54 -0.21 0.00 0.00 178.00 178.03 3mrw s SER 40 N -6.33 -0.32 -0.09 -2.05 1.04 -1.26 -4.83 113.70 99.86 3mrw s SER 40 Ca -0.12 -0.25 -0.06 0.00 0.48 0.00 0.00 55.95 56.00 3mrw s SER 40 Cb 0.17 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.86 3mrw s SER 40 CO 0.81 -0.92 0.23 -0.69 0.98 0.00 0.00 173.24 173.64 3mrw s VAL 41 N -3.45 -0.03 -0.16 5.02 1.01 -1.26 -5.07 120.40 116.46 3mrw s VAL 41 Ca 0.08 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.03 3mrw s VAL 41 Cb -0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 3mrw s VAL 41 CO -0.03 0.05 0.28 -0.44 0.00 0.00 0.00 175.10 174.96 3mrw s SER 42 N 0.94 6.42 0.00 3.32 0.01 -1.26 -4.51 113.70 118.62 3mrw s SER 42 Ca -0.07 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.69 3mrw s SER 42 Cb -0.08 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.97 3mrw s SER 42 CO -0.06 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.31 3mrw n GLY 43 N 3.38 -0.20 0.20 3.44 0.00 -1.26 -4.08 105.19 106.67 3mrw n GLY 43 Ca -0.12 -1.22 0.02 0.00 0.00 0.00 0.00 46.02 44.70 3mrw n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mrw h ALA 44 N 0.00 1.41 0.00 4.61 0.00 -1.93 -2.94 119.26 120.41 3mrw h ALA 44 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3mrw h ALA 44 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3mrw h ALA 44 CO 0.00 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.09 3mrw n GLY 45 N -0.57 -0.49 0.04 0.00 0.00 -1.26 -1.38 105.19 101.53 3mrw n GLY 45 Ca -0.02 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.08 3mrw n GLY 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mrw n ARG 46 N -1.41 1.05 -4.23 1.61 0.63 -1.11 -4.75 116.66 108.45 3mrw n ARG 46 Ca 0.01 -0.08 -0.24 0.00 -0.92 0.00 0.00 57.85 56.62 3mrw n ARG 46 Cb 0.02 -1.27 -0.17 0.00 0.45 0.00 0.00 32.46 31.49 3mrw n ARG 46 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3mrw s TYR 47 N -1.98 1.19 -0.09 -0.14 2.02 -0.48 -2.31 117.35 115.56 3mrw s TYR 47 Ca 0.26 -0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 56.39 3mrw s TYR 47 Cb 0.12 -0.97 -0.05 0.00 -0.40 0.00 0.00 41.96 40.66 3mrw s TYR 47 CO 0.20 -0.31 0.26 -1.17 -1.57 0.00 0.00 175.55 172.95 3mrw s LEU 48 N 1.10 4.39 -0.19 -1.29 2.96 0.15 -4.87 118.68 120.93 3mrw s LEU 48 Ca -0.07 0.64 -0.08 0.00 -0.22 0.00 0.00 54.13 54.40 3mrw s LEU 48 Cb -0.14 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 3mrw s LEU 48 CO -0.01 0.33 0.08 -0.76 -1.32 0.00 0.00 176.35 174.67 3mrw s LEU 49 N -0.77 3.90 -0.22 -0.68 1.43 -1.26 -0.69 118.68 120.39 3mrw s LEU 49 Ca 0.18 0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.36 3mrw s LEU 49 Cb -0.14 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.09 3mrw s LEU 49 CO 0.07 0.16 -0.08 -0.04 0.23 0.00 0.00 176.35 176.69 3mrw s MET 50 N 0.44 3.16 -0.31 1.70 -1.94 0.26 -1.84 119.30 120.77 3mrw s MET 50 Ca 0.04 -0.76 -0.16 0.00 -1.71 0.00 0.00 55.69 53.10 3mrw s MET 50 Cb -0.12 -2.91 -0.02 0.00 2.01 0.00 0.00 34.83 33.79 3mrw s MET 50 CO 0.00 -0.25 0.44 -1.01 -0.01 0.00 0.00 175.02 174.19 3mrw s HIS 51 N 1.40 3.22 -0.09 -0.03 3.76 0.70 -0.17 115.29 124.08 3mrw s HIS 51 Ca 0.04 0.26 0.02 0.00 -0.15 0.00 0.00 55.06 55.24 3mrw s HIS 51 Cb -0.15 -2.73 -0.02 0.00 1.11 0.00 0.00 32.58 30.79 3mrw s HIS 51 CO -0.06 -0.39 -0.15 -0.51 -0.85 0.00 0.00 174.74 172.79 3mrw s LEU 52 N 2.20 2.64 -0.09 0.89 1.43 -0.28 -1.07 118.68 124.40 3mrw s LEU 52 Ca 0.16 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3mrw s LEU 52 Cb -0.16 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 3mrw s LEU 52 CO 0.11 0.25 -0.23 -0.36 0.23 0.00 0.00 176.35 176.36 3mrw s PHE 53 N -0.19 2.57 1.08 0.29 0.40 -0.43 -1.93 117.98 119.77 3mrw s PHE 53 Ca -0.00 -0.91 -0.18 0.00 -0.60 0.00 0.00 56.93 55.24 3mrw s PHE 53 Cb -0.13 -1.70 0.25 0.00 0.51 0.00 0.00 43.02 41.94 3mrw s PHE 53 CO 0.03 -0.34 1.26 0.54 0.70 0.00 0.00 175.22 177.41 3mrw s ASN 54 N 0.21 2.09 0.47 1.36 2.20 0.08 -1.11 114.94 120.24 3mrw s ASN 54 Ca -0.14 0.33 0.13 0.00 -0.94 0.00 0.00 52.86 52.24 3mrw s ASN 54 Cb -0.17 -0.39 1.09 0.00 -2.00 0.00 0.00 41.25 39.79 3mrw s ASN 54 CO 0.07 -3.37 2.09 0.22 -2.94 0.00 0.00 177.10 173.17 3mrw h TYR 55 N -2.08 0.17 0.00 1.54 3.20 -1.88 0.12 116.97 118.05 3mrw h TYR 55 Ca -0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3mrw h TYR 55 Cb 1.25 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.46 3mrw h TYR 55 CO -1.78 0.14 0.00 -0.25 -1.64 0.00 0.00 178.16 174.63 3mrw n ASP 56 N -4.49 0.00 0.00 -2.11 8.00 -1.26 -4.45 116.55 112.24 3mrw n ASP 56 Ca -0.01 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.04 3mrw n ASP 56 Cb 0.10 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 3mrw n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mrw n GLY 57 N 0.98 0.76 3.80 0.44 0.00 0.42 -5.06 105.19 106.54 3mrw n GLY 57 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3mrw n GLY 57 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mrw s ASN 58 N -2.91 5.73 0.01 1.61 0.01 -1.26 -4.74 114.94 113.38 3mrw s ASN 58 Ca 0.00 1.80 0.00 0.00 -0.71 0.00 0.00 52.86 53.95 3mrw s ASN 58 Cb 0.00 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 3mrw s ASN 58 CO 0.00 -1.20 -0.02 0.28 -1.51 0.00 0.00 177.10 174.65 3mrw s THR 59 N -2.51 0.07 0.16 1.60 -1.32 -1.26 -0.74 115.64 111.63 3mrw s THR 59 Ca 0.63 -0.51 0.09 0.00 -1.21 0.00 0.00 61.69 60.69 3mrw s THR 59 Cb -0.16 -0.16 -0.04 0.00 -1.51 0.00 0.00 72.50 70.63 3mrw s THR 59 CO 0.39 -0.27 -0.20 0.27 -2.21 0.00 0.00 174.62 172.60 3mrw s ILE 60 N -0.80 1.89 -0.17 5.08 -4.36 -0.81 -4.44 121.20 117.59 3mrw s ILE 60 Ca -0.09 -1.87 -0.02 0.00 -0.26 0.00 0.00 60.65 58.42 3mrw s ILE 60 Cb -0.06 -1.84 -0.01 0.00 1.25 0.00 0.00 42.46 41.80 3mrw s ILE 60 CO -0.01 -0.23 -0.09 -0.89 0.24 0.00 0.00 174.94 173.97 3mrw s THR 61 N -1.81 3.28 -0.18 8.37 2.01 -0.40 -1.12 115.64 125.79 3mrw s THR 61 Ca 0.15 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.53 3mrw s THR 61 Cb -0.07 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 3mrw s THR 61 CO 0.07 0.49 0.04 -0.69 -0.69 0.00 0.00 174.62 173.83 3mrw s VAL 62 N 0.75 4.51 -0.12 3.82 1.01 0.76 -0.35 120.40 130.78 3mrw s VAL 62 Ca -0.04 -0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 3mrw s VAL 62 Cb -0.15 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3mrw s VAL 62 CO 0.02 0.46 0.63 0.00 0.00 0.00 0.00 175.10 176.20 3mrw s ALA 63 N 0.49 3.44 -0.13 5.51 0.00 -0.26 -0.57 121.76 130.24 3mrw s ALA 63 Ca 0.01 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.92 3mrw s ALA 63 Cb -0.13 -2.90 0.01 0.00 0.00 0.00 0.00 23.12 20.10 3mrw s ALA 63 CO 0.01 -0.24 -0.17 0.08 0.00 0.00 0.00 175.76 175.44 3mrw s VAL 64 N 1.16 1.70 -0.19 0.00 1.01 0.13 -0.60 120.40 123.62 3mrw s VAL 64 Ca 0.32 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 3mrw s VAL 64 Cb -0.16 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3mrw s VAL 64 CO 0.14 0.48 1.62 -0.62 0.00 0.00 0.00 175.10 176.71 3mrw s ASP 65 N 1.04 6.44 0.48 3.32 -1.08 -0.30 0.33 116.67 126.91 3mrw s ASP 65 Ca -0.04 1.75 0.22 0.00 -0.52 0.00 0.00 52.55 53.95 3mrw s ASP 65 Cb -0.15 -2.53 1.23 0.00 -1.46 0.00 0.00 42.92 40.01 3mrw s ASP 65 CO -0.04 -1.18 2.02 -0.37 0.52 0.00 0.00 175.17 176.12 3mrw h VAL 66 N 6.02 0.82 -0.21 1.11 -1.51 -1.80 0.41 116.25 121.09 3mrw h VAL 66 Ca -0.35 -0.65 -0.10 0.00 -1.23 0.00 0.00 66.70 64.38 3mrw h VAL 66 Cb 1.16 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.69 3mrw h VAL 66 CO 0.99 0.16 -0.30 0.71 -1.23 0.00 0.00 177.57 177.90 3mrw h THR 67 N 0.00 1.28 0.00 7.19 1.35 -1.84 -3.37 112.91 117.51 3mrw h THR 67 Ca -0.00 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 3mrw h THR 67 Cb 0.37 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3mrw h THR 67 CO 0.02 0.42 -0.49 -0.46 -0.25 0.00 0.00 175.52 174.76 3mrw n ASN 68 N -4.09 2.46 -0.21 5.36 0.23 -1.00 -4.59 115.26 113.42 3mrw n ASN 68 Ca -0.01 -0.08 -0.03 0.00 -0.53 0.00 0.00 54.58 53.94 3mrw n ASN 68 Cb 0.43 0.64 -0.01 0.00 -2.08 0.00 0.00 39.78 38.76 3mrw n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3mrw n VAL 69 N -0.89 0.00 -2.88 3.53 0.31 0.14 -4.99 118.33 113.55 3mrw n VAL 69 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 3mrw n VAL 69 Cb 0.00 -0.69 -0.04 0.00 -0.91 0.00 0.00 33.84 32.20 3mrw n VAL 69 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3mrw s TYR 70 N -2.10 3.62 0.12 3.52 4.12 -1.21 -4.81 117.35 120.61 3mrw s TYR 70 Ca 0.00 1.48 -0.30 0.00 0.02 0.00 0.00 57.07 58.26 3mrw s TYR 70 Cb 0.00 -2.96 -0.06 0.00 -1.52 0.00 0.00 41.96 37.41 3mrw s TYR 70 CO 0.00 0.04 1.09 0.42 0.02 0.00 0.00 175.55 177.11 3mrw s ILE 71 N 0.92 4.14 -0.20 2.71 1.01 -1.26 -1.15 121.20 127.36 3mrw s ILE 71 Ca 0.45 1.71 0.10 0.00 0.00 0.00 0.00 60.65 62.91 3mrw s ILE 71 Cb -0.19 -4.09 -0.20 0.00 0.01 0.00 0.00 42.46 37.99 3mrw s ILE 71 CO 0.23 0.23 -0.05 0.23 0.00 0.00 0.00 174.94 175.58 3mrw n MET 72 N 2.99 0.83 -3.35 2.79 2.81 0.23 -4.93 117.12 118.49 3mrw n MET 72 Ca 0.04 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 3mrw n MET 72 Cb 0.47 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 3mrw n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mrw n GLY 73 N 2.08 -1.54 3.40 3.03 0.00 -1.23 -2.35 105.19 108.57 3mrw n GLY 73 Ca -0.35 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 3mrw n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mrw s TYR 74 N -2.44 -0.44 -0.10 1.61 1.13 0.34 -1.10 117.35 116.36 3mrw s TYR 74 Ca 0.00 0.33 0.02 0.00 -1.41 0.00 0.00 57.07 56.01 3mrw s TYR 74 Cb 0.00 0.42 -0.01 0.00 -1.10 0.00 0.00 41.96 41.26 3mrw s TYR 74 CO 0.00 -0.74 -0.17 -1.17 -2.51 0.00 0.00 175.55 170.96 3mrw s LEU 75 N -2.43 2.51 -0.20 -3.49 2.96 0.53 -0.30 118.68 118.27 3mrw s LEU 75 Ca -0.01 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 3mrw s LEU 75 Cb -0.00 -1.53 0.06 0.00 0.50 0.00 0.00 46.19 45.22 3mrw s LEU 75 CO -0.08 0.21 0.04 0.00 -1.32 0.00 0.00 176.35 175.20 3mrw s ALA 76 N 0.05 1.00 0.00 5.97 0.00 0.06 -1.28 121.76 127.56 3mrw s ALA 76 Ca -0.07 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.17 3mrw s ALA 76 Cb -0.15 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.78 3mrw s ALA 76 CO 0.05 -1.20 0.00 -0.11 0.00 0.00 0.00 175.76 174.50 3mrw n LEU 77 N 5.05 0.00 -1.20 0.00 7.94 -1.26 -1.72 117.00 125.81 3mrw n LEU 77 Ca -0.09 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.90 3mrw n LEU 77 Cb 0.47 0.00 0.28 0.00 0.53 0.00 0.00 43.42 44.70 3mrw n LEU 77 CO 0.13 0.00 0.75 0.35 -1.11 0.00 0.00 177.39 177.50 3mrw n THR 78 N 0.00 1.47 -5.15 1.96 -2.24 -1.26 -4.92 114.28 104.14 3mrw n THR 78 Ca 0.00 -1.18 -0.30 0.00 -2.27 0.00 0.00 64.05 60.30 3mrw n THR 78 Cb 0.00 0.27 -0.17 0.00 -2.10 0.00 0.00 70.33 68.33 3mrw n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3mrw s THR 79 N -1.54 1.91 0.07 4.28 2.01 -0.70 -0.67 115.64 121.00 3mrw s THR 79 Ca 0.42 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.46 3mrw s THR 79 Cb 0.26 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 3mrw s THR 79 CO 0.22 0.53 0.16 -0.94 -0.69 0.00 0.00 174.62 173.91 3mrw s SER 80 N 0.03 6.07 -0.01 3.53 1.04 -0.49 -0.76 113.70 123.10 3mrw s SER 80 Ca -0.08 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.56 3mrw s SER 80 Cb -0.14 -1.79 -0.01 0.00 0.10 0.00 0.00 66.02 64.18 3mrw s SER 80 CO 0.05 0.17 -0.11 -0.31 0.98 0.00 0.00 173.24 174.02 3mrw s TYR 81 N -1.46 1.01 0.02 5.02 1.51 0.59 -0.37 117.35 123.66 3mrw s TYR 81 Ca 0.33 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.20 3mrw s TYR 81 Cb -0.13 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.04 3mrw s TYR 81 CO 0.26 -0.04 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.53 3mrw s PHE 82 N -0.14 0.54 0.86 2.71 0.08 -0.72 -0.50 117.98 120.81 3mrw s PHE 82 Ca 0.02 -0.29 -0.12 0.00 0.12 0.00 0.00 56.93 56.67 3mrw s PHE 82 Cb -0.06 -0.33 0.11 0.00 -0.57 0.00 0.00 43.02 42.17 3mrw s PHE 82 CO -0.00 -0.05 1.18 -0.06 -0.10 0.00 0.00 175.22 176.19 3mrw s PHE 83 N -0.74 1.71 -1.23 0.36 0.08 -0.99 -0.48 117.98 116.68 3mrw s PHE 83 Ca -0.04 1.74 -0.12 0.00 0.12 0.00 0.00 56.93 58.63 3mrw s PHE 83 Cb -0.06 -3.41 0.17 0.00 -0.57 0.00 0.00 43.02 39.15 3mrw s PHE 83 CO 0.00 -2.82 1.60 -1.71 -0.10 0.00 0.00 175.22 172.18 3mrw n ASN 84 N -3.77 5.20 -3.53 1.36 4.05 -0.21 -4.38 115.26 113.99 3mrw n ASN 84 Ca 0.13 -3.04 -0.15 0.00 0.45 0.00 0.00 54.58 51.97 3mrw n ASN 84 Cb 0.51 -1.53 -0.05 0.00 1.23 0.00 0.00 39.78 39.95 3mrw n ASN 84 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3mrw s GLU 85 N 0.99 1.09 0.29 1.20 -1.05 -1.26 -3.91 118.70 116.05 3mrw s GLU 85 Ca 0.41 -0.15 -0.02 0.00 -0.15 0.00 0.00 54.97 55.06 3mrw s GLU 85 Cb 0.02 0.50 0.44 0.00 -0.44 0.00 0.00 34.13 34.65 3mrw s GLU 85 CO 0.00 -0.40 1.94 -1.35 0.95 0.00 0.00 175.26 176.41 3mrw h PRO 86 N 2.69 1.10 -0.65 -4.83 0.11 -2.00 -1.53 132.00 126.90 3mrw h PRO 86 Ca -0.30 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 65.74 3mrw h PRO 86 Cb 1.21 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 3mrw h PRO 86 CO 0.40 0.73 0.43 0.00 -0.21 0.00 0.00 178.00 179.35 3mrw h ALA 87 N 1.47 1.53 -0.14 -0.75 0.00 -1.97 -1.07 119.26 118.32 3mrw h ALA 87 Ca 0.34 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 3mrw h ALA 87 Cb -0.03 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.51 3mrw h ALA 87 CO -0.10 0.44 -0.79 0.00 0.00 0.00 0.00 179.25 178.80 3mrw h ALA 88 N 1.59 0.32 -0.58 0.00 0.00 -1.57 -1.86 119.26 117.14 3mrw h ALA 88 Ca 0.24 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3mrw h ALA 88 Cb -0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3mrw h ALA 88 CO -0.05 0.69 0.38 0.22 0.00 0.00 0.00 179.25 180.49 3mrw h ASP 89 N 0.52 0.67 -0.41 0.00 3.58 -1.08 -0.63 116.42 119.08 3mrw h ASP 89 Ca -0.06 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.41 3mrw h ASP 89 Cb 1.42 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 42.26 3mrw h ASP 89 CO 0.16 0.49 0.18 0.25 -2.88 0.00 0.00 179.24 177.45 3mrw h LEU 90 N 0.79 0.24 -1.16 2.28 5.85 -1.18 -1.68 115.31 120.45 3mrw h LEU 90 Ca 0.21 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.06 3mrw h LEU 90 Cb -0.08 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 3mrw h LEU 90 CO -0.05 0.18 0.59 0.00 -0.34 0.00 0.00 178.44 178.82 3mrw h ALA 91 N 1.23 1.60 0.00 1.25 0.00 -0.77 -1.13 119.26 121.44 3mrw h ALA 91 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3mrw h ALA 91 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3mrw h ALA 91 CO -0.15 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 3mrw n SER 92 N -4.53 0.23 0.13 0.00 3.41 -0.29 -0.31 113.62 112.25 3mrw n SER 92 Ca 0.15 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.48 3mrw n SER 92 Cb 0.30 -0.62 0.37 0.00 -0.26 0.00 0.00 64.21 63.99 3mrw n SER 92 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3mrw h GLN 93 N 0.00 0.00 0.00 4.33 4.20 -1.14 -3.38 115.11 119.12 3mrw h GLN 93 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 3mrw h GLN 93 Cb 0.09 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3mrw h GLN 93 CO 0.00 0.00 -1.36 0.66 -0.67 0.00 0.00 178.83 177.46 3mrw n TYR 94 N -2.41 0.00 -4.45 2.96 4.01 0.58 -4.99 117.16 112.86 3mrw n TYR 94 Ca 0.05 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.50 3mrw n TYR 94 Cb 0.44 -0.25 -0.13 0.00 -0.31 0.00 0.00 39.34 39.09 3mrw n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3mrw s VAL 95 N -2.13 2.45 -1.86 -0.72 -7.23 -0.62 -4.69 120.40 105.61 3mrw s VAL 95 Ca -0.05 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 3mrw s VAL 95 Cb 0.02 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.88 3mrw s VAL 95 CO 0.19 0.14 0.00 0.49 -0.31 0.00 0.00 175.10 175.61 3mrw n PHE 96 N 1.03 -0.53 0.31 2.82 3.72 -1.26 -4.72 117.46 118.83 3mrw n PHE 96 Ca -0.17 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.42 3mrw n PHE 96 Cb 0.53 -3.59 1.02 0.00 -0.94 0.00 0.00 39.48 36.50 3mrw n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mrw h ARG 97 N 0.00 0.00 0.00 -1.08 2.47 -1.85 -1.70 114.38 112.22 3mrw h ARG 97 Ca -0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 3mrw h ARG 97 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 3mrw h ARG 97 CO 0.57 0.02 0.00 -1.13 0.56 0.00 0.00 179.97 179.99 3mrw n SER 98 N -3.38 0.00 -4.71 7.04 3.41 -1.26 -4.85 113.62 109.86 3mrw n SER 98 Ca -0.02 -0.74 -0.41 0.00 -0.26 0.00 0.00 58.87 57.43 3mrw n SER 98 Cb 0.12 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3mrw n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mrw n ALA 99 N -1.07 1.41 0.17 7.33 0.00 -0.64 -4.90 120.51 122.81 3mrw n ALA 99 Ca 0.20 0.30 0.02 0.00 0.00 0.00 0.00 53.44 53.97 3mrw n ALA 99 Cb 0.13 -2.28 0.30 0.00 0.00 0.00 0.00 19.45 17.60 3mrw n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mrw h ARG 100 N 2.32 0.00 -3.56 0.00 3.08 -1.23 -3.45 114.38 111.55 3mrw h ARG 100 Ca -0.48 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.46 3mrw h ARG 100 Cb 1.29 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.15 3mrw h ARG 100 CO 0.61 0.45 -0.42 -0.98 -1.07 0.00 0.00 179.97 178.56 3mrw s ARG 101 N -3.84 0.64 -0.12 0.04 1.70 -1.17 -5.07 118.95 111.13 3mrw s ARG 101 Ca -0.02 -0.59 0.02 0.00 -0.47 0.00 0.00 55.73 54.68 3mrw s ARG 101 Cb 0.13 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.79 3mrw s ARG 101 CO 0.72 -0.18 -0.18 0.21 -1.08 0.00 0.00 175.30 174.80 3mrw s LYS 102 N -2.31 2.49 -0.17 3.89 2.20 -1.26 -1.40 119.74 123.19 3mrw s LYS 102 Ca -0.07 -0.66 -0.03 0.00 -0.36 0.00 0.00 55.97 54.84 3mrw s LYS 102 Cb -0.02 -2.06 -0.02 0.00 -1.51 0.00 0.00 37.83 34.21 3mrw s LYS 102 CO -0.03 -0.04 -0.04 0.42 -0.36 0.00 0.00 175.35 175.30 3mrw s ILE 103 N 0.90 3.74 -0.27 5.43 1.01 0.50 -4.97 121.20 127.54 3mrw s ILE 103 Ca -0.07 -0.40 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 3mrw s ILE 103 Cb -0.15 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 3mrw s ILE 103 CO -0.01 0.48 0.70 -0.89 0.00 0.00 0.00 174.94 175.22 3mrw s THR 104 N 0.57 4.91 0.85 2.92 2.01 -1.26 -1.75 115.64 123.88 3mrw s THR 104 Ca -0.03 1.18 -0.14 0.00 0.31 0.00 0.00 61.69 63.01 3mrw s THR 104 Cb -0.14 -4.02 0.04 0.00 0.01 0.00 0.00 72.50 68.38 3mrw s THR 104 CO 0.03 -0.08 0.74 0.18 -0.69 0.00 0.00 174.62 174.80 3mrw n LEU 105 N 5.90 1.73 -1.33 4.42 4.77 0.36 -4.89 117.00 127.96 3mrw n LEU 105 Ca 0.01 0.48 -0.05 0.00 -0.03 0.00 0.00 56.01 56.42 3mrw n LEU 105 Cb 0.48 -1.32 0.10 0.00 -2.33 0.00 0.00 43.42 40.35 3mrw n LEU 105 CO 0.46 -2.80 0.70 -0.81 -1.33 0.00 0.00 177.39 173.60 3mrw n PRO 106 N -2.14 1.84 -3.59 3.23 -0.04 -1.26 -4.00 135.00 129.04 3mrw n PRO 106 Ca 0.10 -1.19 -0.12 0.00 -0.04 0.00 0.00 63.50 62.26 3mrw n PRO 106 Cb 0.52 -1.57 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 3mrw n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3mrw s TYR 107 N -1.42 -0.30 0.88 0.54 -0.85 -1.26 -5.00 117.35 109.95 3mrw s TYR 107 Ca 0.22 0.09 -0.14 0.00 -0.52 0.00 0.00 57.07 56.72 3mrw s TYR 107 Cb 0.18 0.31 0.13 0.00 0.38 0.00 0.00 41.96 42.96 3mrw s TYR 107 CO 0.05 -0.70 1.22 -1.54 -1.52 0.00 0.00 175.55 173.07 3mrw s SER 108 N -2.56 3.85 0.00 -0.18 1.04 -1.25 -1.04 113.70 113.55 3mrw s SER 108 Ca 0.00 0.61 0.25 0.00 0.48 0.00 0.00 55.95 57.29 3mrw s SER 108 Cb 0.01 -0.95 1.13 0.00 0.10 0.00 0.00 66.02 66.30 3mrw s SER 108 CO -0.09 -2.30 1.77 0.61 0.98 0.00 0.00 173.24 174.20 3mrw n GLY 109 N -3.32 -0.28 3.82 7.32 0.00 -1.26 -4.36 105.19 107.10 3mrw n GLY 109 Ca 0.10 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 3mrw n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mrw s ASN 110 N -1.79 6.46 0.24 1.61 2.20 -1.26 -4.83 114.94 117.57 3mrw s ASN 110 Ca 0.36 1.75 -0.05 0.00 -0.94 0.00 0.00 52.86 53.98 3mrw s ASN 110 Cb 0.19 -2.54 0.38 0.00 -2.00 0.00 0.00 41.25 37.28 3mrw s ASN 110 CO 0.30 -0.70 1.80 1.88 -2.94 0.00 0.00 177.10 177.44 3mrw h TYR 111 N 1.26 0.78 -0.14 1.54 0.05 -1.99 0.75 116.97 119.21 3mrw h TYR 111 Ca -0.48 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.37 3mrw h TYR 111 Cb 1.20 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 38.66 3mrw h TYR 111 CO 0.60 0.30 -0.18 1.49 -1.05 0.00 0.00 178.16 179.32 3mrw h GLU 112 N 0.72 -0.22 -0.41 4.88 4.81 -1.98 -0.86 114.58 121.53 3mrw h GLU 112 Ca 0.38 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.53 3mrw h GLU 112 Cb 0.38 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3mrw h GLU 112 CO -0.26 -0.14 -0.11 0.00 -0.73 0.00 0.00 179.01 177.77 3mrw h ARG 113 N -0.23 0.81 -0.41 1.92 2.47 -1.56 -2.11 114.38 115.27 3mrw h ARG 113 Ca 0.10 -0.31 0.02 0.00 -1.26 0.00 0.00 59.98 58.53 3mrw h ARG 113 Cb 0.38 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.62 3mrw h ARG 113 CO -0.28 0.93 0.24 -0.07 0.56 0.00 0.00 179.97 181.36 3mrw h LEU 114 N 0.62 0.38 -1.13 3.04 3.38 -0.83 -1.84 115.31 118.94 3mrw h LEU 114 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3mrw h LEU 114 Cb 0.64 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3mrw h LEU 114 CO 0.04 0.27 0.44 1.56 0.09 0.00 0.00 178.44 180.85 3mrw h GLN 115 N 0.48 1.04 -0.15 1.13 4.20 -1.01 0.71 115.11 121.51 3mrw h GLN 115 Ca 0.17 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3mrw h GLN 115 Cb 0.02 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3mrw h GLN 115 CO -0.08 0.74 0.07 0.82 -0.67 0.00 0.00 178.83 179.71 3mrw h ILE 116 N 1.06 1.14 -0.81 2.54 2.04 -1.22 -0.64 117.51 121.61 3mrw h ILE 116 Ca 0.27 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 3mrw h ILE 116 Cb -0.02 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3mrw h ILE 116 CO -0.05 0.13 0.34 0.00 0.00 0.00 0.00 178.15 178.57 3mrw h ALA 117 N 0.92 1.06 0.00 1.87 0.00 -1.01 -2.56 119.26 119.54 3mrw h ALA 117 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3mrw h ALA 117 Cb 0.15 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3mrw h ALA 117 CO -0.01 0.67 -0.11 0.00 0.00 0.00 0.00 179.25 179.80 3mrw h ALA 118 N 1.19 0.96 0.00 0.00 0.00 -0.77 -3.44 119.26 117.19 3mrw h ALA 118 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3mrw h ALA 118 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3mrw h ALA 118 CO -0.02 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.78 3mrw n GLY 119 N 0.65 0.67 3.28 0.00 0.00 -0.28 -4.91 105.19 104.60 3mrw n GLY 119 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 3mrw n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mrw s LYS 120 N -0.11 0.76 0.80 1.61 -2.85 -1.03 -5.03 119.74 113.88 3mrw s LYS 120 Ca 0.00 -0.19 -0.12 0.00 -1.00 0.00 0.00 55.97 54.66 3mrw s LYS 120 Cb 0.00 0.34 0.07 0.00 -2.06 0.00 0.00 37.83 36.18 3mrw s LYS 120 CO 0.00 -0.22 1.10 -1.25 0.10 0.00 0.00 175.35 175.08 3mrw s PRO 121 N -1.58 2.09 0.00 1.78 0.04 -1.26 -4.52 135.00 131.55 3mrw s PRO 121 Ca -0.11 0.58 0.29 0.00 0.04 0.00 0.00 61.00 61.80 3mrw s PRO 121 Cb -0.04 -1.92 1.27 0.00 0.04 0.00 0.00 34.50 33.85 3mrw s PRO 121 CO 0.03 -1.60 1.94 2.89 0.04 0.00 0.00 177.00 180.30 3mrw n ARG 122 N -3.41 0.07 -0.08 4.56 1.85 -1.26 -1.84 116.66 116.55 3mrw n ARG 122 Ca 0.07 -0.00 0.26 0.00 -1.00 0.00 0.00 57.85 57.18 3mrw n ARG 122 Cb 0.57 -1.50 0.69 0.00 -1.05 0.00 0.00 32.46 31.17 3mrw n ARG 122 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3mrw h GLU 123 N 0.00 0.00 -0.01 2.89 3.07 -1.92 -2.18 114.58 116.43 3mrw h GLU 123 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3mrw h GLU 123 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3mrw h GLU 123 CO 0.00 0.00 -0.16 1.63 -1.40 0.00 0.00 179.01 179.08 3mrw n LYS 124 N -3.78 1.49 -3.64 2.33 5.02 -0.76 -4.71 118.16 114.11 3mrw n LYS 124 Ca 0.15 -1.07 -0.38 0.00 -2.02 0.00 0.00 58.31 55.00 3mrw n LYS 124 Cb 0.96 -1.26 -0.12 0.00 -0.02 0.00 0.00 35.03 34.60 3mrw n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mrw s ILE 125 N -1.55 4.85 0.57 -0.18 1.01 -0.82 -4.97 121.20 120.12 3mrw s ILE 125 Ca 0.15 -0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.47 3mrw s ILE 125 Cb 0.12 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3mrw s ILE 125 CO 0.29 0.19 1.23 -2.84 0.00 0.00 0.00 174.94 173.80 3mrw s PRO 126 N 1.68 3.06 0.25 2.79 0.02 -1.26 -4.34 135.00 137.20 3mrw s PRO 126 Ca 0.06 1.88 0.04 0.00 0.02 0.00 0.00 61.00 63.00 3mrw s PRO 126 Cb -0.16 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.29 3mrw s PRO 126 CO 0.08 -1.15 -0.01 0.96 -0.33 0.00 0.00 177.00 176.55 3mrw s ILE 127 N -1.54 1.14 -5.00 2.83 -4.36 -0.53 -4.84 121.20 108.90 3mrw s ILE 127 Ca 0.75 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 59.10 3mrw s ILE 127 Cb -0.32 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 40.99 3mrw s ILE 127 CO 0.35 -0.29 0.00 0.61 0.24 0.00 0.00 174.94 175.86 3mrw n GLY 128 N -0.47 0.16 0.08 6.27 0.00 -1.26 -1.46 105.19 108.50 3mrw n GLY 128 Ca -0.05 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 3mrw n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mrw h LEU 129 N 0.00 0.06 -0.84 0.99 3.38 -1.54 -0.99 115.31 116.37 3mrw h LEU 129 Ca 0.00 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3mrw h LEU 129 Cb 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3mrw h LEU 129 CO 0.00 1.09 -0.15 -0.65 0.09 0.00 0.00 178.44 178.82 3mrw h PRO 130 N 0.01 0.70 -0.47 1.13 0.11 -1.76 -0.38 132.00 131.35 3mrw h PRO 130 Ca -0.23 -0.24 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3mrw h PRO 130 Cb 1.96 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 33.00 3mrw h PRO 130 CO 0.10 0.82 -0.00 0.00 -0.21 0.00 0.00 178.00 178.71 3mrw h ALA 131 N 1.20 1.12 -0.49 -0.75 0.00 -1.82 -1.23 119.26 117.28 3mrw h ALA 131 Ca 0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3mrw h ALA 131 Cb 0.62 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3mrw h ALA 131 CO 0.04 0.56 0.11 1.25 0.00 0.00 0.00 179.25 181.22 3mrw h LEU 132 N 0.72 0.76 -0.30 0.00 5.85 -0.21 0.46 115.31 122.59 3mrw h LEU 132 Ca 0.14 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.67 3mrw h LEU 132 Cb 0.45 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3mrw h LEU 132 CO 0.02 0.80 0.03 -0.78 -0.34 0.00 0.00 178.44 178.17 3mrw h ASP 133 N 0.68 -0.05 -0.63 1.25 3.58 -0.43 -0.48 116.42 120.33 3mrw h ASP 133 Ca 0.15 0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.71 3mrw h ASP 133 Cb 0.34 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 3mrw h ASP 133 CO 0.00 0.01 0.42 0.74 -2.88 0.00 0.00 179.24 177.53 3mrw h THR 134 N 0.13 1.04 -0.26 2.25 2.02 -0.98 -1.87 112.91 115.24 3mrw h THR 134 Ca 0.14 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 66.98 3mrw h THR 134 Cb 0.17 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3mrw h THR 134 CO -0.21 0.12 -0.25 0.00 0.37 0.00 0.00 175.52 175.55 3mrw h ALA 135 N 1.65 0.38 -0.31 6.16 0.00 0.29 -0.10 119.26 127.33 3mrw h ALA 135 Ca 0.27 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3mrw h ALA 135 Cb 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3mrw h ALA 135 CO -0.08 0.36 0.14 0.82 0.00 0.00 0.00 179.25 180.49 3mrw h ILE 136 N 0.34 0.96 -0.46 0.00 2.04 -0.96 -0.92 117.51 118.50 3mrw h ILE 136 Ca 0.04 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.84 3mrw h ILE 136 Cb 0.81 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 3mrw h ILE 136 CO 0.06 0.05 0.23 0.28 0.00 0.00 0.00 178.15 178.78 3mrw h SER 137 N 0.29 0.33 -0.66 1.72 0.02 -1.14 -2.53 113.55 111.58 3mrw h SER 137 Ca 0.13 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3mrw h SER 137 Cb 0.07 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 3mrw h SER 137 CO -0.11 0.23 0.41 0.74 -1.14 0.00 0.00 176.83 176.96 3mrw h THR 138 N 0.46 1.09 0.00 -2.27 2.02 -0.56 -2.64 112.91 111.01 3mrw h THR 138 Ca 0.20 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3mrw h THR 138 Cb 0.11 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3mrw h THR 138 CO -0.14 0.15 0.00 0.18 0.37 0.00 0.00 175.52 176.07 3mrw n LEU 139 N -4.69 0.17 0.21 2.58 4.77 -0.39 -2.84 117.00 116.80 3mrw n LEU 139 Ca 0.07 0.54 0.07 0.00 -0.03 0.00 0.00 56.01 56.65 3mrw n LEU 139 Cb 0.08 -0.51 0.45 0.00 -2.33 0.00 0.00 43.42 41.11 3mrw n LEU 139 CO 0.33 -0.28 0.78 -0.07 -1.33 0.00 0.00 177.39 176.82 3mrw h LEU 140 N 0.00 0.00 -7.88 2.23 3.38 -1.23 -3.42 115.31 108.40 3mrw h LEU 140 Ca 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 3mrw h LEU 140 Cb 0.32 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.75 3mrw h LEU 140 CO 0.00 0.30 -0.78 -1.00 0.09 0.00 0.00 178.44 177.05 3mrw s HIS 141 N -3.94 0.89 0.15 1.13 3.76 -1.13 -4.84 115.29 111.30 3mrw s HIS 141 Ca -0.02 -0.25 -0.31 0.00 -0.15 0.00 0.00 55.06 54.33 3mrw s HIS 141 Cb 0.13 -0.69 -0.10 0.00 1.11 0.00 0.00 32.58 33.02 3mrw s HIS 141 CO 0.67 -0.15 1.67 -0.47 -0.85 0.00 0.00 174.74 175.61 3mrw s TYR 142 N 0.51 2.74 -0.29 1.40 5.04 -1.26 -4.95 117.35 120.54 3mrw s TYR 142 Ca -0.08 0.39 0.04 0.00 -2.44 0.00 0.00 57.07 54.98 3mrw s TYR 142 Cb -0.11 -4.03 0.19 0.00 0.35 0.00 0.00 41.96 38.36 3mrw s TYR 142 CO 0.01 -3.97 0.54 0.34 -1.34 0.00 0.00 175.55 171.13 3mrw s ASP 143 N 1.67 -1.05 0.29 4.32 -1.08 -1.26 -5.07 116.67 114.49 3mrw s ASP 143 Ca 0.74 0.08 -0.01 0.00 -0.52 0.00 0.00 52.55 52.83 3mrw s ASP 143 Cb -0.45 1.78 0.42 0.00 -1.46 0.00 0.00 42.92 43.21 3mrw s ASP 143 CO 0.32 -0.31 1.87 0.77 0.52 0.00 0.00 175.17 178.34 3mrw h SER 144 N 8.05 0.82 -0.23 -0.34 4.64 -1.98 0.12 113.55 124.63 3mrw h SER 144 Ca -0.05 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 3mrw h SER 144 Cb 1.17 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3mrw h SER 144 CO 0.19 0.73 0.03 0.74 -0.87 0.00 0.00 176.83 177.65 3mrw h THR 145 N 0.89 1.23 -0.65 2.95 2.02 -1.98 -2.42 112.91 114.95 3mrw h THR 145 Ca 0.21 -0.79 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 3mrw h THR 145 Cb 0.16 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 3mrw h THR 145 CO -0.02 0.25 0.25 0.00 0.37 0.00 0.00 175.52 176.37 3mrw h ALA 146 N 0.84 1.22 -0.07 6.16 0.00 -1.77 -2.71 119.26 122.93 3mrw h ALA 146 Ca 0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3mrw h ALA 146 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3mrw h ALA 146 CO 0.01 0.57 -0.25 0.00 0.00 0.00 0.00 179.25 179.58 3mrw h ALA 147 N 1.33 1.46 -0.48 0.00 0.00 -0.68 -1.86 119.26 119.03 3mrw h ALA 147 Ca 0.22 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3mrw h ALA 147 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3mrw h ALA 147 CO -0.02 0.39 -0.15 0.00 0.00 0.00 0.00 179.25 179.47 3mrw h ALA 148 N 1.64 0.66 -0.19 0.00 0.00 -1.09 0.13 119.26 120.41 3mrw h ALA 148 Ca 0.02 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 3mrw h ALA 148 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3mrw h ALA 148 CO 0.04 0.60 -0.55 0.78 0.00 0.00 0.00 179.25 180.11 3mrw h GLY 149 N 0.80 0.64 1.00 0.00 0.00 -1.52 -0.93 103.07 103.06 3mrw h GLY 149 Ca 0.12 -0.75 0.01 0.00 0.00 0.00 0.00 47.33 46.71 3mrw h GLY 149 CO 0.05 0.67 0.47 0.00 0.00 0.00 0.00 176.54 177.73 3mrw h ALA 150 N 0.94 0.90 -0.04 3.60 0.00 -1.07 -1.02 119.26 122.58 3mrw h ALA 150 Ca 0.01 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3mrw h ALA 150 Cb 1.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3mrw h ALA 150 CO 0.11 0.31 -0.61 -0.07 0.00 0.00 0.00 179.25 178.98 3mrw h LEU 151 N 0.95 0.15 -0.91 0.00 3.38 -0.50 0.12 115.31 118.51 3mrw h LEU 151 Ca 0.26 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3mrw h LEU 151 Cb -0.10 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3mrw h LEU 151 CO -0.06 0.72 0.35 -0.07 0.09 0.00 0.00 178.44 179.48 3mrw h LEU 152 N 0.10 1.05 -0.13 1.67 3.38 -0.54 0.04 115.31 120.87 3mrw h LEU 152 Ca -0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3mrw h LEU 152 Cb 1.10 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3mrw h LEU 152 CO 0.09 0.90 -0.04 0.58 0.09 0.00 0.00 178.44 180.06 3mrw h VAL 153 N 1.13 1.29 -0.60 1.22 2.07 -0.72 -2.91 116.25 117.73 3mrw h VAL 153 Ca 0.27 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.83 3mrw h VAL 153 Cb 0.15 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 3mrw h VAL 153 CO -0.03 0.29 0.37 0.25 0.02 0.00 0.00 177.57 178.46 3mrw h LEU 154 N -0.06 0.59 -0.74 2.57 5.85 -0.50 -1.47 115.31 121.56 3mrw h LEU 154 Ca 0.03 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3mrw h LEU 154 Cb 0.46 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3mrw h LEU 154 CO 0.01 0.41 0.32 0.40 -0.34 0.00 0.00 178.44 179.25 3mrw h ILE 155 N 0.72 1.25 -0.09 4.05 2.04 -1.03 -2.19 117.51 122.26 3mrw h ILE 155 Ca 0.25 -0.74 -0.20 0.00 1.00 0.00 0.00 64.86 65.17 3mrw h ILE 155 Cb 0.03 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3mrw h ILE 155 CO -0.11 0.30 -0.76 1.56 0.00 0.00 0.00 178.15 179.15 3mrw h GLN 156 N 1.05 0.50 0.00 2.37 4.20 -1.34 -2.11 115.11 119.78 3mrw h GLN 156 Ca 0.25 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.54 3mrw h GLN 156 Cb 0.17 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3mrw h GLN 156 CO -0.03 1.05 -0.25 1.79 -0.67 0.00 0.00 178.83 180.73 3mrw h THR 157 N 0.34 0.00 0.00 -0.54 1.35 -1.15 -2.98 112.91 109.93 3mrw h THR 157 Ca -0.04 -0.95 -0.03 0.00 -0.55 0.00 0.00 66.41 64.84 3mrw h THR 157 Cb 1.35 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 69.59 3mrw h THR 157 CO 0.14 0.00 -0.57 0.35 -0.25 0.00 0.00 175.52 175.18 3mrw n THR 158 N -2.92 0.97 -0.03 6.82 -2.24 -0.83 -4.61 114.28 111.44 3mrw n THR 158 Ca 0.03 0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.89 3mrw n THR 158 Cb 0.52 -1.69 -0.10 0.00 -2.10 0.00 0.00 70.33 66.96 3mrw n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mrw h ALA 159 N -0.20 0.03 -0.18 6.98 0.00 -1.61 -2.65 119.26 121.61 3mrw h ALA 159 Ca -0.05 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 3mrw h ALA 159 Cb 0.51 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3mrw h ALA 159 CO -0.03 -0.16 -0.60 0.93 0.00 0.00 0.00 179.25 179.40 3mrw h GLU 160 N -0.51 0.60 -0.54 0.00 4.39 -1.48 -1.13 114.58 115.91 3mrw h GLU 160 Ca 0.00 -0.41 -0.08 0.00 0.34 0.00 0.00 59.36 59.22 3mrw h GLU 160 Cb 0.61 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 3mrw h GLU 160 CO 0.01 1.02 0.02 0.00 -1.16 0.00 0.00 179.01 178.90 3mrw h ALA 161 N 0.89 1.03 -0.72 3.43 0.00 -1.65 -1.77 119.26 120.46 3mrw h ALA 161 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3mrw h ALA 161 Cb 1.16 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3mrw h ALA 161 CO 0.11 0.61 0.30 0.00 0.00 0.00 0.00 179.25 180.27 3mrw h ALA 162 N 1.18 1.18 -0.08 0.00 0.00 -1.00 -3.13 119.26 117.40 3mrw h ALA 162 Ca 0.16 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3mrw h ALA 162 Cb 0.46 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3mrw h ALA 162 CO 0.02 0.60 -0.45 0.00 0.00 0.00 0.00 179.25 179.42 3mrw h ARG 163 N 1.03 0.20 -3.60 0.00 3.08 -0.69 -3.42 114.38 110.98 3mrw h ARG 163 Ca 0.24 -0.10 -0.43 0.00 0.07 0.00 0.00 59.98 59.76 3mrw h ARG 163 Cb 0.17 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.84 3mrw h ARG 163 CO -0.02 0.62 -0.76 -0.06 -1.07 0.00 0.00 179.97 178.67 3mrw s PHE 164 N -4.05 0.58 0.40 3.04 0.08 -0.72 -0.17 117.98 117.15 3mrw s PHE 164 Ca -0.04 -0.16 0.16 0.00 0.12 0.00 0.00 56.93 57.01 3mrw s PHE 164 Cb 0.13 -0.76 1.03 0.00 -0.57 0.00 0.00 43.02 42.85 3mrw s PHE 164 CO 0.77 -0.34 1.85 -0.22 -0.10 0.00 0.00 175.22 177.18 3mrw h LYS 165 N 8.34 0.45 -0.84 0.44 3.64 -1.03 -0.23 116.57 127.35 3mrw h LYS 165 Ca -0.18 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 3mrw h LYS 165 Cb 1.12 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 3mrw h LYS 165 CO 0.25 0.30 0.42 -0.92 -2.27 0.00 0.00 179.45 177.23 3mrw h TYR 166 N 0.46 1.18 -0.10 1.91 3.20 -1.92 -0.75 116.97 120.96 3mrw h TYR 166 Ca 0.48 -0.05 -0.21 0.00 3.14 0.00 0.00 58.73 62.09 3mrw h TYR 166 Cb 1.11 -0.37 0.01 0.00 1.54 0.00 0.00 36.73 39.02 3mrw h TYR 166 CO -0.00 0.84 -0.75 0.82 -1.64 0.00 0.00 178.16 177.43 3mrw h ILE 167 N 1.19 1.31 -0.31 1.81 2.04 -1.38 -0.50 117.51 121.67 3mrw h ILE 167 Ca 0.29 -2.00 0.07 0.00 1.00 0.00 0.00 64.86 64.22 3mrw h ILE 167 Cb 0.09 2.16 -0.07 0.00 -0.74 0.00 0.00 36.82 38.26 3mrw h ILE 167 CO -0.04 0.62 -0.15 -0.08 0.00 0.00 0.00 178.15 178.50 3mrw h GLU 168 N 0.36 -0.10 -0.94 2.37 4.81 -0.93 -0.96 114.58 119.19 3mrw h GLU 168 Ca -0.07 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3mrw h GLU 168 Cb 1.40 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.74 3mrw h GLU 168 CO 0.15 -0.07 0.61 1.96 -0.73 0.00 0.00 179.01 180.94 3mrw h GLN 169 N -0.10 1.11 -0.68 1.92 4.20 -1.00 -0.97 115.11 119.59 3mrw h GLN 169 Ca 0.16 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.86 3mrw h GLN 169 Cb 0.34 -0.25 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 3mrw h GLN 169 CO -0.37 0.74 0.38 1.96 -0.67 0.00 0.00 178.83 180.87 3mrw h GLN 170 N 1.14 0.68 -0.18 1.46 1.08 -0.25 -1.03 115.11 118.02 3mrw h GLN 170 Ca 0.39 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.42 3mrw h GLN 170 Cb 0.08 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3mrw h GLN 170 CO -0.15 0.45 -0.45 0.82 -0.95 0.00 0.00 178.83 178.55 3mrw h ILE 171 N 0.71 1.32 -0.36 2.54 1.08 -0.61 -2.92 117.51 119.26 3mrw h ILE 171 Ca 0.30 -1.64 -0.05 0.00 -0.39 0.00 0.00 64.86 63.08 3mrw h ILE 171 Cb 0.18 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.59 3mrw h ILE 171 CO -0.18 0.51 0.02 1.56 -0.69 0.00 0.00 178.15 179.36 3mrw h GLN 172 N 0.36 0.56 0.00 2.37 4.20 -0.61 -0.27 115.11 121.72 3mrw h GLN 172 Ca 0.02 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3mrw h GLN 172 Cb 0.94 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 3mrw h GLN 172 CO 0.08 0.57 -0.15 0.93 -0.67 0.00 0.00 178.83 179.59 3mrw h GLU 173 N 0.53 0.00 -0.82 1.46 5.08 -1.03 -2.74 114.58 117.06 3mrw h GLU 173 Ca 0.12 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.93 3mrw h GLU 173 Cb 0.31 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.26 3mrw h GLU 173 CO 0.01 0.15 0.19 0.54 -1.00 0.00 0.00 179.01 178.90 3mrw n ARG 174 N -3.65 2.78 0.13 2.33 1.74 -0.13 -4.63 116.66 115.23 3mrw n ARG 174 Ca -0.02 -3.51 -0.02 0.00 -0.77 0.00 0.00 57.85 53.53 3mrw n ARG 174 Cb 0.28 -2.20 0.15 0.00 -1.02 0.00 0.00 32.46 29.67 3mrw n ARG 174 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mrw h ALA 175 N 1.79 0.94 0.00 7.54 0.00 -1.30 -1.91 119.26 126.31 3mrw h ALA 175 Ca 0.48 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3mrw h ALA 175 Cb 1.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3mrw h ALA 175 CO 1.10 0.78 0.00 0.66 0.00 0.00 0.00 179.25 181.78 3mrw n TYR 176 N -3.81 0.00 -3.46 0.00 4.01 -1.26 -4.17 117.16 108.47 3mrw n TYR 176 Ca -0.01 -0.22 -0.06 0.00 -0.16 0.00 0.00 57.90 57.44 3mrw n TYR 176 Cb 0.62 -0.02 -0.07 0.00 -0.31 0.00 0.00 39.34 39.56 3mrw n TYR 176 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3mrw s ARG 177 N -0.45 0.39 0.68 -0.72 3.52 -1.25 -4.95 118.95 116.18 3mrw s ARG 177 Ca 0.00 0.87 -0.13 0.00 -0.13 0.00 0.00 55.73 56.34 3mrw s ARG 177 Cb 0.00 0.09 0.01 0.00 -1.56 0.00 0.00 34.95 33.49 3mrw s ARG 177 CO 0.00 -0.46 1.09 -0.51 -0.81 0.00 0.00 175.30 174.61 3mrw s ASP 178 N 2.65 5.09 -0.13 -2.12 1.01 -1.26 -4.43 116.67 117.48 3mrw s ASP 178 Ca 0.07 1.87 -0.22 0.00 0.71 0.00 0.00 52.55 54.98 3mrw s ASP 178 Cb -0.14 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.31 3mrw s ASP 178 CO -0.16 -1.64 0.55 -0.70 0.21 0.00 0.00 175.17 173.43 3mrw s GLU 179 N -4.44 0.77 0.50 8.23 2.12 -0.54 -4.87 118.70 120.48 3mrw s GLU 179 Ca 0.64 0.45 -0.22 0.00 0.36 0.00 0.00 54.97 56.19 3mrw s GLU 179 Cb -0.18 0.37 -0.07 0.00 0.26 0.00 0.00 34.13 34.50 3mrw s GLU 179 CO 0.46 -0.17 1.14 1.33 -0.54 0.00 0.00 175.26 177.48 3mrw n VAL 180 N 1.96 3.12 -1.67 3.70 0.24 -1.26 -1.45 118.33 122.97 3mrw n VAL 180 Ca -0.17 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.25 3mrw n VAL 180 Cb 0.56 -1.37 0.04 0.00 -1.47 0.00 0.00 33.84 31.61 3mrw n VAL 180 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3mrw n PRO 181 N -0.46 1.30 -1.09 7.34 -0.04 -1.26 -4.85 135.00 135.94 3mrw n PRO 181 Ca 0.10 0.48 -0.31 0.00 -0.04 0.00 0.00 63.50 63.73 3mrw n PRO 181 Cb 0.43 -2.31 0.12 0.00 -0.04 0.00 0.00 33.50 31.69 3mrw n PRO 181 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3mrw s SER 182 N -1.02 3.97 0.48 3.54 1.04 -1.26 -4.87 113.70 115.58 3mrw s SER 182 Ca 0.72 1.97 0.25 0.00 0.48 0.00 0.00 55.95 59.37 3mrw s SER 182 Cb -0.44 -2.54 1.19 0.00 0.10 0.00 0.00 66.02 64.33 3mrw s SER 182 CO 0.50 -2.40 1.96 0.77 0.98 0.00 0.00 173.24 175.05 3mrw h SER 183 N -1.31 0.00 -0.41 7.02 4.64 -1.93 -1.71 113.55 119.85 3mrw h SER 183 Ca -0.44 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 3mrw h SER 183 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3mrw h SER 183 CO 0.48 0.19 0.25 0.00 -0.87 0.00 0.00 176.83 176.88 3mrw h ALA 184 N 1.81 0.52 -0.05 5.18 0.00 -1.77 -1.16 119.26 123.79 3mrw h ALA 184 Ca -0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3mrw h ALA 184 Cb 0.51 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3mrw h ALA 184 CO 0.02 -0.06 -0.21 1.15 0.00 0.00 0.00 179.25 180.15 3mrw h THR 185 N 0.52 0.49 -0.95 0.00 2.02 -1.65 -0.44 112.91 112.90 3mrw h THR 185 Ca 0.16 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.37 3mrw h THR 185 Cb -0.02 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 66.82 3mrw h THR 185 CO -0.06 0.00 0.62 0.40 0.37 0.00 0.00 175.52 176.85 3mrw h ILE 186 N -0.31 1.16 -0.04 3.11 1.08 -1.24 -0.90 117.51 120.37 3mrw h ILE 186 Ca 0.08 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3mrw h ILE 186 Cb 0.42 -0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.02 3mrw h ILE 186 CO -0.23 0.22 0.02 -1.28 -0.69 0.00 0.00 178.15 176.18 3mrw h SER 187 N 1.20 0.05 -0.30 1.72 0.87 -0.77 -1.32 113.55 114.99 3mrw h SER 187 Ca 0.38 -0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.85 3mrw h SER 187 Cb 0.01 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3mrw h SER 187 CO -0.12 0.15 0.16 -0.07 -0.53 0.00 0.00 176.83 176.41 3mrw h LEU 188 N -0.06 0.24 -0.57 2.23 3.38 -0.77 0.79 115.31 120.56 3mrw h LEU 188 Ca 0.01 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.10 3mrw h LEU 188 Cb 0.11 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 3mrw h LEU 188 CO -0.00 0.18 0.11 -0.33 0.09 0.00 0.00 178.44 178.49 3mrw h GLU 189 N 0.33 0.23 0.00 1.13 5.08 -0.96 -1.99 114.58 118.40 3mrw h GLU 189 Ca 0.12 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3mrw h GLU 189 Cb 0.03 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3mrw h GLU 189 CO -0.08 0.15 -0.13 -0.91 -1.00 0.00 0.00 179.01 177.04 3mrw h ASN 190 N 0.24 0.00 -0.49 1.42 2.35 -0.86 -3.21 115.58 115.03 3mrw h ASN 190 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3mrw h ASN 190 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3mrw h ASN 190 CO -0.39 0.13 0.00 -1.20 -1.65 0.00 0.00 177.43 174.33 3mrw n SER 191 N -3.25 3.51 -0.07 5.81 7.64 0.24 -4.66 113.62 122.84 3mrw n SER 191 Ca 0.01 -1.99 -0.12 0.00 1.01 0.00 0.00 58.87 57.78 3mrw n SER 191 Cb 0.41 -0.32 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 3mrw n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3mrw h TRP 192 N 4.29 0.46 -0.08 1.43 7.01 -1.47 0.39 115.95 127.99 3mrw h TRP 192 Ca 0.00 -0.11 0.02 0.00 2.11 0.00 0.00 58.89 60.92 3mrw h TRP 192 Cb 0.96 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.88 3mrw h TRP 192 CO 0.32 0.68 -0.06 1.03 -2.79 0.00 0.00 178.44 177.61 3mrw h SER 193 N 0.12 -0.19 -0.26 2.65 0.87 -1.85 -0.24 113.55 114.64 3mrw h SER 193 Ca 0.05 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3mrw h SER 193 Cb 0.54 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 3mrw h SER 193 CO 0.02 -0.08 0.01 1.23 -0.53 0.00 0.00 176.83 177.48 3mrw h GLY 194 N -0.07 0.26 0.96 5.77 0.00 -1.79 0.40 103.07 108.60 3mrw h GLY 194 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3mrw h GLY 194 CO -0.13 -0.05 0.21 1.41 0.00 0.00 0.00 176.54 177.99 3mrw h LEU 195 N 0.09 0.54 -0.90 3.11 3.38 -0.17 -0.84 115.31 120.52 3mrw h LEU 195 Ca 0.12 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3mrw h LEU 195 Cb 0.15 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3mrw h LEU 195 CO -0.20 0.50 0.59 0.28 0.09 0.00 0.00 178.44 179.70 3mrw h SER 196 N 0.54 1.01 -0.18 -0.43 0.02 -0.77 0.03 113.55 113.76 3mrw h SER 196 Ca 0.14 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 3mrw h SER 196 Cb 0.10 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3mrw h SER 196 CO -0.02 0.72 -0.36 0.50 -1.14 0.00 0.00 176.83 176.53 3mrw h LYS 197 N 1.19 0.57 -0.21 3.45 3.64 -0.61 -2.70 116.57 121.89 3mrw h LYS 197 Ca 0.34 -0.36 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 3mrw h LYS 197 Cb -0.08 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3mrw h LYS 197 CO -0.09 0.97 -0.39 1.96 -2.27 0.00 0.00 179.45 179.63 3mrw h GLN 198 N 0.23 0.49 -0.60 1.90 1.08 -0.76 0.42 115.11 117.86 3mrw h GLN 198 Ca 0.01 -0.24 -0.04 0.00 -1.45 0.00 0.00 58.65 56.92 3mrw h GLN 198 Cb 0.95 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.36 3mrw h GLN 198 CO 0.08 0.81 0.21 0.82 -0.95 0.00 0.00 178.83 179.80 3mrw h ILE 199 N 0.41 1.24 -0.21 2.54 2.04 -0.96 0.47 117.51 123.04 3mrw h ILE 199 Ca 0.04 -0.79 -0.14 0.00 1.00 0.00 0.00 64.86 64.97 3mrw h ILE 199 Cb 0.87 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3mrw h ILE 199 CO 0.07 0.30 -0.46 1.56 0.00 0.00 0.00 178.15 179.62 3mrw h GLN 200 N 0.85 0.53 0.00 2.37 4.20 -1.13 -3.16 115.11 118.77 3mrw h GLN 200 Ca 0.20 -0.30 -0.12 0.00 0.06 0.00 0.00 58.65 58.49 3mrw h GLN 200 Cb 0.26 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3mrw h GLN 200 CO -0.01 0.89 -0.56 -0.07 -0.67 0.00 0.00 178.83 178.40 3mrw h LEU 201 N 0.43 0.00 -2.18 1.46 3.38 -0.58 -2.39 115.31 115.42 3mrw h LEU 201 Ca 0.03 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3mrw h LEU 201 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3mrw h LEU 201 CO 0.09 0.56 0.25 0.00 0.09 0.00 0.00 178.44 179.43 3mrw h ALA 202 N 1.44 1.82 -0.92 1.53 0.00 -0.87 -3.16 119.26 119.11 3mrw h ALA 202 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3mrw h ALA 202 Cb 1.06 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 3mrw h ALA 202 CO 0.07 -0.36 0.60 1.96 0.00 0.00 0.00 179.25 181.52 3mrw h GLN 203 N 0.00 1.16 -0.68 0.00 4.20 -1.49 -0.98 115.11 117.32 3mrw h GLN 203 Ca 0.10 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.58 3mrw h GLN 203 Cb 0.60 -0.26 -0.10 0.00 0.30 0.00 0.00 27.48 28.02 3mrw h GLN 203 CO -0.00 0.77 0.20 0.41 -0.67 0.00 0.00 178.83 179.54 3mrw n GLY 204 N -1.35 3.57 1.31 3.46 0.00 -1.19 -4.43 105.19 106.55 3mrw n GLY 204 Ca 0.11 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 45.18 3mrw n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mrw n ASN 205 N -0.02 1.13 -3.01 1.61 4.05 -0.70 -4.99 115.26 113.33 3mrw n ASN 205 Ca 0.38 -2.38 -0.22 0.00 0.45 0.00 0.00 54.58 52.81 3mrw n ASN 205 Cb 1.33 -0.34 0.03 0.00 1.23 0.00 0.00 39.78 42.03 3mrw n ASN 205 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3mrw n ASN 206 N 0.17 -5.88 0.00 1.20 3.02 -1.14 -1.99 115.26 110.64 3mrw n ASN 206 Ca 0.09 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 3mrw n ASN 206 Cb 1.05 -4.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 3mrw n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mrw n GLY 207 N -1.46 0.95 3.70 7.41 0.00 -0.46 -4.99 105.19 110.35 3mrw n GLY 207 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3mrw n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mrw s VAL 208 N -3.26 5.06 0.30 1.61 1.01 -0.84 -0.88 120.40 123.40 3mrw s VAL 208 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 3mrw s VAL 208 Cb 0.00 -3.28 -0.11 0.00 0.00 0.00 0.00 36.38 33.00 3mrw s VAL 208 CO 0.00 0.48 1.49 -0.36 0.00 0.00 0.00 175.10 176.71 3mrw s PHE 209 N 0.13 2.83 0.23 5.22 0.40 -0.17 -4.05 117.98 122.56 3mrw s PHE 209 Ca 0.07 1.03 -0.08 0.00 -0.60 0.00 0.00 56.93 57.34 3mrw s PHE 209 Cb -0.12 -3.93 0.20 0.00 0.51 0.00 0.00 43.02 39.68 3mrw s PHE 209 CO -0.00 -2.95 1.88 0.00 0.70 0.00 0.00 175.22 174.85 3mrw h ARG 210 N 4.27 1.17 -3.99 0.44 2.47 -1.88 -3.41 114.38 113.45 3mrw h ARG 210 Ca -0.48 -0.10 -0.43 0.00 -1.26 0.00 0.00 59.98 57.72 3mrw h ARG 210 Cb 1.22 -0.25 -0.35 0.00 -1.65 0.00 0.00 29.97 28.94 3mrw h ARG 210 CO 0.73 0.81 -0.77 0.99 0.56 0.00 0.00 179.97 182.29 3mrw s THR 211 N -6.01 0.56 0.60 2.04 2.01 -1.26 -5.14 115.64 108.44 3mrw s THR 211 Ca -0.13 -0.10 -0.19 0.00 0.31 0.00 0.00 61.69 61.58 3mrw s THR 211 Cb 0.16 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 3mrw s THR 211 CO 0.81 0.25 1.27 -2.84 -0.69 0.00 0.00 174.62 173.42 3mrw s PRO 212 N 1.17 2.85 -0.14 4.92 0.02 -1.26 -4.95 135.00 137.61 3mrw s PRO 212 Ca -0.07 2.01 -0.03 0.00 0.02 0.00 0.00 61.00 62.93 3mrw s PRO 212 Cb -0.14 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 3mrw s PRO 212 CO -0.01 -1.35 -0.04 0.99 -0.33 0.00 0.00 177.00 176.26 3mrw s THR 213 N -1.45 3.90 -0.23 0.99 2.01 -0.10 -4.91 115.64 115.85 3mrw s THR 213 Ca 0.78 -0.37 -0.14 0.00 0.31 0.00 0.00 61.69 62.28 3mrw s THR 213 Cb -0.35 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 3mrw s THR 213 CO 0.39 0.52 0.32 -0.69 -0.69 0.00 0.00 174.62 174.47 3mrw s VAL 214 N 0.08 5.24 0.13 3.82 1.01 -1.26 0.31 120.40 129.72 3mrw s VAL 214 Ca -0.00 0.51 0.10 0.00 0.00 0.00 0.00 61.98 62.59 3mrw s VAL 214 Cb -0.13 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3mrw s VAL 214 CO 0.03 0.25 -0.24 -0.76 0.00 0.00 0.00 175.10 174.38 3mrw s LEU 215 N 1.50 2.33 0.02 3.92 1.43 -0.11 -4.94 118.68 122.83 3mrw s LEU 215 Ca 0.14 -0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 52.24 3mrw s LEU 215 Cb -0.15 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.97 3mrw s LEU 215 CO 0.08 0.11 0.82 -0.69 0.23 0.00 0.00 176.35 176.90 3mrw s VAL 216 N -1.22 4.80 0.68 -1.59 1.01 -1.26 0.15 120.40 122.97 3mrw s VAL 216 Ca 0.12 1.73 -0.04 0.00 0.00 0.00 0.00 61.98 63.79 3mrw s VAL 216 Cb -0.10 -4.17 0.14 0.00 0.00 0.00 0.00 36.38 32.26 3mrw s VAL 216 CO 0.06 0.29 0.94 -0.90 0.00 0.00 0.00 175.10 175.48 3mrw n ASP 217 N 3.26 0.86 0.11 3.32 5.68 0.48 -4.28 116.55 125.98 3mrw n ASP 217 Ca 0.00 -1.82 0.09 0.00 -0.50 0.00 0.00 54.79 52.56 3mrw n ASP 217 Cb 0.50 -0.64 0.43 0.00 -1.14 0.00 0.00 41.12 40.27 3mrw n ASP 217 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3mrw n SER 218 N -3.14 0.45 -0.68 -1.12 7.64 -1.26 -1.18 113.62 114.33 3mrw n SER 218 Ca 0.14 0.65 0.13 0.00 1.01 0.00 0.00 58.87 60.81 3mrw n SER 218 Cb 0.50 -0.73 0.34 0.00 -1.01 0.00 0.00 64.21 63.31 3mrw n SER 218 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3mrw n LYS 219 N -2.04 1.92 -2.94 1.43 3.00 -1.26 -4.95 118.16 113.32 3mrw n LYS 219 Ca 0.01 -1.36 -0.11 0.00 -0.00 0.00 0.00 58.31 56.85 3mrw n LYS 219 Cb 0.12 -1.47 0.05 0.00 0.00 0.00 0.00 35.03 33.74 3mrw n LYS 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3mrw n GLY 220 N 1.26 -0.03 3.02 3.14 0.00 -0.32 -5.06 105.19 107.19 3mrw n GLY 220 Ca 0.17 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 3mrw n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mrw s ASN 221 N -3.70 1.76 0.07 1.61 0.01 -1.26 -4.90 114.94 108.52 3mrw s ASN 221 Ca 0.07 -0.30 -0.31 0.00 -0.71 0.00 0.00 52.86 51.62 3mrw s ASN 221 Cb -0.03 -0.82 -0.06 0.00 0.41 0.00 0.00 41.25 40.75 3mrw s ASN 221 CO 0.45 0.03 1.24 -0.60 -1.51 0.00 0.00 177.10 176.71 3mrw s ARG 222 N 0.66 4.41 0.06 -0.60 3.00 -1.26 -0.38 118.95 124.84 3mrw s ARG 222 Ca -0.15 1.82 0.08 0.00 -1.00 0.00 0.00 55.73 56.49 3mrw s ARG 222 Cb -0.16 -3.34 -0.03 0.00 0.00 0.00 0.00 34.95 31.43 3mrw s ARG 222 CO 0.04 -0.30 -0.23 0.54 0.00 0.00 0.00 175.30 175.35 3mrw s VAL 223 N 1.12 1.84 -0.14 7.11 0.11 0.39 -4.94 120.40 125.88 3mrw s VAL 223 Ca 0.60 -1.35 -0.19 0.00 -2.93 0.00 0.00 61.98 58.11 3mrw s VAL 223 Cb -0.31 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 32.90 3mrw s VAL 223 CO 0.29 0.19 0.50 -1.10 -3.33 0.00 0.00 175.10 171.65 3mrw s GLN 224 N -1.39 4.31 -0.24 1.54 -0.21 -1.26 -0.93 119.66 121.48 3mrw s GLN 224 Ca 0.09 0.47 -0.08 0.00 0.02 0.00 0.00 55.36 55.86 3mrw s GLN 224 Cb -0.09 -3.47 -0.04 0.00 1.00 0.00 0.00 33.01 30.41 3mrw s GLN 224 CO 0.03 0.07 0.10 0.42 -2.12 0.00 0.00 175.29 173.78 3mrw s ILE 225 N 0.91 4.70 0.00 1.08 -1.09 0.15 -4.94 121.20 122.01 3mrw s ILE 225 Ca 0.26 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 3mrw s ILE 225 Cb -0.15 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 3mrw s ILE 225 CO 0.11 0.35 0.00 0.35 -1.23 0.00 0.00 174.94 174.52 3mrw n THR 226 N 4.54 0.00 -3.84 2.92 -2.24 -1.26 -0.92 114.28 113.48 3mrw n THR 226 Ca -0.16 -0.38 -0.07 0.00 -2.27 0.00 0.00 64.05 61.18 3mrw n THR 226 Cb 0.52 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 3mrw n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3mrw s ASN 227 N -0.76 -0.20 0.00 3.42 2.20 -1.26 -1.00 114.94 117.35 3mrw s ASN 227 Ca 0.00 -0.67 0.23 0.00 -0.94 0.00 0.00 52.86 51.48 3mrw s ASN 227 Cb 0.00 0.71 1.13 0.00 -2.00 0.00 0.00 41.25 41.09 3mrw s ASN 227 CO 0.00 -1.34 1.75 1.33 -2.94 0.00 0.00 177.10 175.90 3mrw n VAL 228 N -0.48 0.31 0.92 3.54 0.24 -0.06 -2.39 118.33 120.40 3mrw n VAL 228 Ca -0.05 0.08 0.12 0.00 -2.04 0.00 0.00 64.34 62.45 3mrw n VAL 228 Cb 0.59 -0.70 0.54 0.00 -1.47 0.00 0.00 33.84 32.81 3mrw n VAL 228 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3mrw n THR 229 N -1.32 0.30 -1.88 3.34 -2.24 -1.26 -4.28 114.28 106.94 3mrw n THR 229 Ca 0.10 0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.57 3mrw n THR 229 Cb 0.20 -0.66 0.02 0.00 -2.10 0.00 0.00 70.33 67.79 3mrw n THR 229 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3mrw s SER 230 N -2.90 5.72 0.49 3.42 0.15 -1.01 -4.75 113.70 114.83 3mrw s SER 230 Ca 0.15 2.75 0.18 0.00 0.70 0.00 0.00 55.95 59.72 3mrw s SER 230 Cb 0.16 -2.64 1.22 0.00 -1.71 0.00 0.00 66.02 63.05 3mrw s SER 230 CO 0.43 -1.26 2.05 0.78 1.20 0.00 0.00 173.24 176.44 3mrw h ASN 231 N 1.99 0.13 -0.82 5.45 4.21 -1.92 0.66 115.58 125.27 3mrw h ASN 231 Ca -0.50 0.00 0.09 0.00 1.21 0.00 0.00 56.30 57.09 3mrw h ASN 231 Cb 1.27 -0.03 -0.06 0.00 -1.12 0.00 0.00 38.32 38.39 3mrw h ASN 231 CO 0.60 0.08 0.54 0.58 -1.29 0.00 0.00 177.43 177.94 3mrw h VAL 232 N 0.15 0.98 0.14 2.81 2.07 -1.95 -0.53 116.25 119.91 3mrw h VAL 232 Ca 0.16 -0.28 -0.35 0.00 0.82 0.00 0.00 66.70 67.05 3mrw h VAL 232 Cb 0.46 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3mrw h VAL 232 CO -0.02 0.15 -1.89 0.58 0.02 0.00 0.00 177.57 176.41 3mrw h VAL 233 N 0.82 0.75 0.00 2.57 2.07 -1.29 -0.37 116.25 120.81 3mrw h VAL 233 Ca 0.37 -2.44 -0.03 0.00 0.82 0.00 0.00 66.70 65.43 3mrw h VAL 233 Cb 0.37 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 3mrw h VAL 233 CO -0.14 0.86 -0.24 0.71 0.02 0.00 0.00 177.57 178.78 3mrw h THR 234 N 0.08 0.21 0.00 2.57 1.35 -0.85 -3.41 112.91 112.87 3mrw h THR 234 Ca -0.38 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 3mrw h THR 234 Cb 2.05 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 70.53 3mrw h THR 234 CO 0.12 0.12 -0.66 -1.20 -0.25 0.00 0.00 175.52 173.65 3mrw n SER 235 N -3.09 2.81 -0.10 5.36 7.64 -0.25 -4.99 113.62 121.01 3mrw n SER 235 Ca 0.03 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.77 3mrw n SER 235 Cb 0.59 0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.82 3mrw n SER 235 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3mrw n ASN 236 N -1.99 1.89 -4.77 6.43 2.85 -0.93 -4.73 115.26 114.00 3mrw n ASN 236 Ca 0.00 0.44 -0.41 0.00 -0.11 0.00 0.00 54.58 54.50 3mrw n ASN 236 Cb 0.33 -0.83 -0.01 0.00 1.24 0.00 0.00 39.78 40.50 3mrw n ASN 236 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 3mrw s ILE 237 N -2.53 2.40 -0.01 -1.44 2.07 -0.16 -0.57 121.20 120.95 3mrw s ILE 237 Ca -0.27 0.39 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 3mrw s ILE 237 Cb 0.06 -3.25 -0.00 0.00 0.13 0.00 0.00 42.46 39.40 3mrw s ILE 237 CO 0.40 0.09 0.01 0.00 -1.91 0.00 0.00 174.94 173.53 3mrw n GLN 238 N 0.91 4.49 -3.74 3.50 1.13 0.76 -4.89 117.38 119.55 3mrw n GLN 238 Ca 0.02 -0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.95 3mrw n GLN 238 Cb 0.40 -0.69 -0.11 0.00 0.11 0.00 0.00 30.24 29.95 3mrw n GLN 238 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3mrw s LEU 239 N -2.37 0.49 -0.19 1.08 1.43 -1.25 -4.06 118.68 113.81 3mrw s LEU 239 Ca 0.00 0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 53.77 3mrw s LEU 239 Cb 0.00 1.16 -0.02 0.00 0.03 0.00 0.00 46.19 47.36 3mrw s LEU 239 CO 0.02 -0.14 -0.02 -0.76 0.23 0.00 0.00 176.35 175.67 3mrw s LEU 240 N 0.57 3.16 0.13 1.79 1.43 -0.32 -4.95 118.68 120.49 3mrw s LEU 240 Ca -0.03 -0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 52.54 3mrw s LEU 240 Cb -0.05 -1.79 -0.10 0.00 0.03 0.00 0.00 46.19 44.29 3mrw s LEU 240 CO -0.03 0.08 1.78 -0.22 0.23 0.00 0.00 176.35 178.19 3mrw s LEU 241 N 0.87 4.39 0.28 1.79 2.96 -1.26 -0.46 118.68 127.25 3mrw s LEU 241 Ca -0.00 2.72 -0.29 0.00 -0.22 0.00 0.00 54.13 56.34 3mrw s LEU 241 Cb -0.14 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 3mrw s LEU 241 CO 0.02 -0.98 1.35 0.21 -1.32 0.00 0.00 176.35 175.63 3mrw s ASN 242 N 2.44 6.77 0.28 3.68 3.84 -1.26 -4.57 114.94 126.12 3mrw s ASN 242 Ca 0.79 2.61 0.22 0.00 0.21 0.00 0.00 52.86 56.69 3mrw s ASN 242 Cb -0.45 -2.63 1.05 0.00 -0.55 0.00 0.00 41.25 38.67 3mrw s ASN 242 CO 0.35 -0.58 1.66 0.35 -2.79 0.00 0.00 177.10 176.09 3mrw n THR 243 N 1.69 0.99 0.31 -5.21 -2.24 -1.26 -0.59 114.28 107.97 3mrw n THR 243 Ca 0.03 0.52 0.20 0.00 -2.27 0.00 0.00 64.05 62.54 3mrw n THR 243 Cb 0.42 -1.49 0.96 0.00 -2.10 0.00 0.00 70.33 68.11 3mrw n THR 243 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3mrw h LYS 244 N 0.00 0.00 -0.51 -0.78 1.57 -1.95 -2.38 116.57 112.52 3mrw h LYS 244 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mrw h LYS 244 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3mrw h LYS 244 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 3mrw n ASN 245 N -3.07 3.90 -0.05 0.86 3.02 0.24 -5.10 115.26 115.05 3mrw n ASN 245 Ca -0.01 -2.30 0.01 0.00 -0.03 0.00 0.00 54.58 52.25 3mrw n ASN 245 Cb 0.19 -0.44 0.01 0.00 -0.61 0.00 0.00 39.78 38.92 3mrw n ASN 245 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26