#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a2m s ILE 7 N 0.00 2.47 -0.06 -3.67 1.01 -1.26 -4.45 121.20 115.24 3a2m s ILE 7 Ca 0.00 -1.25 -0.05 0.00 0.00 0.00 0.00 60.65 59.36 3a2m s ILE 7 Cb 0.00 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 3a2m s ILE 7 CO 0.00 0.17 0.15 -1.61 0.00 0.00 0.00 174.94 173.65 3a2m s GLU 8 N 1.23 3.40 -0.22 2.79 2.02 -0.68 -4.92 118.70 122.32 3a2m s GLU 8 Ca -0.02 -0.24 -0.08 0.00 0.02 0.00 0.00 54.97 54.64 3a2m s GLU 8 Cb -0.17 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 3a2m s GLU 8 CO -0.06 0.72 0.09 0.42 0.02 0.00 0.00 175.26 176.45 3a2m s ILE 9 N -1.16 4.73 0.43 -1.63 1.01 -1.26 -0.88 121.20 122.43 3a2m s ILE 9 Ca 0.21 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.85 3a2m s ILE 9 Cb -0.12 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 3a2m s ILE 9 CO 0.11 0.38 0.10 -0.13 0.00 0.00 0.00 174.94 175.40 3a2m s ARG 10 N 1.08 1.97 -0.01 2.79 0.52 0.56 -4.96 118.95 120.90 3a2m s ARG 10 Ca 0.05 -2.21 0.01 0.00 -0.52 0.00 0.00 55.73 53.06 3a2m s ARG 10 Cb -0.14 -0.79 0.00 0.00 0.52 0.00 0.00 34.95 34.54 3a2m s ARG 10 CO 0.04 -0.45 -0.02 0.50 0.02 0.00 0.00 175.30 175.38 3a2m s ARG 11 N -3.74 0.26 -0.03 3.54 3.52 -1.26 -1.35 118.95 119.89 3a2m s ARG 11 Ca 0.21 -0.07 0.07 0.00 -0.13 0.00 0.00 55.73 55.81 3a2m s ARG 11 Cb 0.03 -0.29 -0.02 0.00 -1.56 0.00 0.00 34.95 33.11 3a2m s ARG 11 CO 0.13 0.02 -0.25 0.00 -0.81 0.00 0.00 175.30 174.39 3a2m s ALA 12 N 0.15 2.13 0.08 6.12 0.00 0.01 -4.97 121.76 125.28 3a2m s ALA 12 Ca -0.01 -1.08 -0.31 0.00 0.00 0.00 0.00 51.96 50.56 3a2m s ALA 12 Cb -0.04 -0.57 -0.06 0.00 0.00 0.00 0.00 23.12 22.45 3a2m s ALA 12 CO -0.00 0.49 1.28 -1.25 0.00 0.00 0.00 175.76 176.27 3a2m s PRO 13 N -0.48 4.38 -0.11 0.00 0.04 -1.26 -0.71 135.00 136.87 3a2m s PRO 13 Ca 0.06 1.89 -0.03 0.00 0.04 0.00 0.00 61.00 62.96 3a2m s PRO 13 Cb -0.11 -3.32 0.05 0.00 0.04 0.00 0.00 34.50 31.16 3a2m s PRO 13 CO 0.00 -0.34 0.12 0.08 0.04 0.00 0.00 177.00 176.90 3a2m s VAL 14 N 1.13 -0.17 -1.57 -0.36 1.01 -0.12 -4.88 120.40 115.43 3a2m s VAL 14 Ca 0.61 0.19 -0.15 0.00 0.00 0.00 0.00 61.98 62.63 3a2m s VAL 14 Cb -0.32 -0.36 0.11 0.00 0.00 0.00 0.00 36.38 35.81 3a2m s VAL 14 CO 0.29 0.01 0.86 0.18 0.00 0.00 0.00 175.10 176.44 3a2m n LEU 15 N 5.30 -2.14 0.00 3.92 4.77 -1.26 -0.10 117.00 127.50 3a2m n LEU 15 Ca -0.05 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 3a2m n LEU 15 Cb 0.50 -2.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.24 3a2m n LEU 15 CO 0.07 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3a2m n GLY 16 N -1.53 1.96 0.00 -0.72 0.00 -1.26 -4.98 105.19 98.66 3a2m n GLY 16 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3a2m n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3a2m n SER 17 N 0.00 0.00 -3.71 1.61 2.88 0.86 -5.13 113.62 110.14 3a2m n SER 17 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 3a2m n SER 17 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 3a2m n SER 17 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3a2m s SER 18 N 0.73 -0.28 -0.08 -3.46 1.04 -1.25 -0.95 113.70 109.44 3a2m s SER 18 Ca 0.00 0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.66 3a2m s SER 18 Cb 0.00 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.48 3a2m s SER 18 CO 0.00 -0.50 -0.22 -0.04 0.98 0.00 0.00 173.24 173.46 3a2m s MET 19 N -1.45 2.67 0.54 4.02 -1.94 0.12 -0.15 119.30 123.11 3a2m s MET 19 Ca -0.12 -0.80 -0.14 0.00 -1.71 0.00 0.00 55.69 52.92 3a2m s MET 19 Cb -0.04 -2.09 -0.06 0.00 2.01 0.00 0.00 34.83 34.65 3a2m s MET 19 CO 0.05 0.21 0.97 0.00 -0.01 0.00 0.00 175.02 176.24 3a2m s ALA 20 N 0.25 3.12 -0.06 3.03 0.00 -1.26 -0.81 121.76 126.03 3a2m s ALA 20 Ca -0.14 0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.56 3a2m s ALA 20 Cb -0.16 -3.04 0.06 0.00 0.00 0.00 0.00 23.12 19.98 3a2m s ALA 20 CO 0.07 -0.38 0.62 1.52 0.00 0.00 0.00 175.76 177.59 3a2m s TYR 21 N -2.80 -0.59 -0.01 0.00 -0.85 -0.46 -0.59 117.35 112.05 3a2m s TYR 21 Ca 0.56 1.05 -0.10 0.00 -0.52 0.00 0.00 57.07 58.07 3a2m s TYR 21 Cb -0.10 0.35 -0.05 0.00 0.38 0.00 0.00 41.96 42.53 3a2m s TYR 21 CO 0.40 -0.55 0.31 1.03 -1.52 0.00 0.00 175.55 175.21 3a2m s ARG 22 N -1.08 3.68 -0.03 -3.49 0.52 -0.48 -0.32 118.95 117.75 3a2m s ARG 22 Ca -0.10 0.10 -0.01 0.00 -0.52 0.00 0.00 55.73 55.19 3a2m s ARG 22 Cb -0.01 -3.13 0.02 0.00 0.52 0.00 0.00 34.95 32.35 3a2m s ARG 22 CO 0.08 0.67 0.07 -2.00 0.02 0.00 0.00 175.30 174.14 3a2m s GLU 23 N -1.44 0.04 -0.00 3.54 2.12 -0.06 -0.69 118.70 122.21 3a2m s GLU 23 Ca 0.25 0.18 -0.27 0.00 0.36 0.00 0.00 54.97 55.49 3a2m s GLU 23 Cb -0.14 -0.11 0.06 0.00 0.26 0.00 0.00 34.13 34.20 3a2m s GLU 23 CO 0.13 -0.10 0.61 -0.08 -0.54 0.00 0.00 175.26 175.28 3a2m s THR 24 N 0.64 0.01 0.00 -1.70 -1.32 -0.68 -1.68 115.64 110.91 3a2m s THR 24 Ca -0.05 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 3a2m s THR 24 Cb -0.07 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 3a2m s THR 24 CO -0.02 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 3a2m n GLY 25 N 0.68 2.31 3.74 6.08 0.00 -1.26 0.43 105.19 117.17 3a2m n GLY 25 Ca -0.19 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 3a2m n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a2m s ALA 26 N -2.34 3.43 -1.27 4.61 0.00 -1.26 -4.79 121.76 120.14 3a2m s ALA 26 Ca 0.00 0.94 0.21 0.00 0.00 0.00 0.00 51.96 53.11 3a2m s ALA 26 Cb 0.00 -3.41 0.99 0.00 0.00 0.00 0.00 23.12 20.70 3a2m s ALA 26 CO 0.00 -0.36 1.66 1.04 0.00 0.00 0.00 175.76 178.11 3a2m n GLN 27 N 2.47 0.19 -0.27 0.00 1.13 -1.26 -1.67 117.38 117.96 3a2m n GLN 27 Ca 0.04 0.11 0.11 0.00 -1.94 0.00 0.00 57.00 55.33 3a2m n GLN 27 Cb 0.45 -1.50 0.27 0.00 0.11 0.00 0.00 30.24 29.57 3a2m n GLN 27 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3a2m n ASP 28 N -1.36 3.50 -4.97 1.08 5.75 -1.26 -4.98 116.55 114.31 3a2m n ASP 28 Ca 0.08 -1.98 -0.21 0.00 -0.01 0.00 0.00 54.79 52.67 3a2m n ASP 28 Cb 0.19 -0.35 -0.00 0.00 -1.03 0.00 0.00 41.12 39.93 3a2m n ASP 28 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a2m s ALA 29 N -1.29 4.03 0.59 2.12 0.00 -0.67 -5.06 121.76 121.48 3a2m s ALA 29 Ca 0.42 -1.29 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 3a2m s ALA 29 Cb 0.23 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 3a2m s ALA 29 CO 0.31 -0.09 1.32 -0.35 0.00 0.00 0.00 175.76 176.95 3a2m n PRO 30 N -1.74 1.43 -2.77 0.00 -0.04 -1.26 -4.18 135.00 126.45 3a2m n PRO 30 Ca -0.01 0.54 -0.39 0.00 -0.04 0.00 0.00 63.50 63.60 3a2m n PRO 30 Cb 0.58 -2.54 -0.06 0.00 -0.04 0.00 0.00 33.50 31.44 3a2m n PRO 30 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3a2m s VAL 31 N -1.33 4.12 -0.12 0.52 1.01 -1.26 -0.61 120.40 122.73 3a2m s VAL 31 Ca 0.76 1.99 0.01 0.00 0.00 0.00 0.00 61.98 64.74 3a2m s VAL 31 Cb -0.40 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 31.78 3a2m s VAL 31 CO 0.46 0.38 -0.13 -0.69 0.00 0.00 0.00 175.10 175.12 3a2m s VAL 32 N -1.33 1.37 -0.24 2.92 1.01 -0.25 -0.59 120.40 123.29 3a2m s VAL 32 Ca 0.44 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 3a2m s VAL 32 Cb -0.23 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3a2m s VAL 32 CO 0.29 0.42 0.13 -0.76 0.00 0.00 0.00 175.10 175.18 3a2m s LEU 33 N 1.28 3.90 -0.21 3.92 1.43 0.29 -0.88 118.68 128.41 3a2m s LEU 33 Ca -0.01 0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 53.04 3a2m s LEU 33 Cb -0.14 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 3a2m s LEU 33 CO -0.05 0.05 0.05 -0.36 0.23 0.00 0.00 176.35 176.26 3a2m s PHE 34 N 1.16 3.14 -0.23 0.29 0.08 -0.23 -0.99 117.98 121.20 3a2m s PHE 34 Ca 0.06 -0.21 0.02 0.00 0.12 0.00 0.00 56.93 56.92 3a2m s PHE 34 Cb -0.14 -2.14 0.05 0.00 -0.57 0.00 0.00 43.02 40.23 3a2m s PHE 34 CO 0.05 -0.11 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.45 3a2m s LEU 35 N 0.95 2.85 0.78 -0.37 1.43 0.41 -3.80 118.68 120.94 3a2m s LEU 35 Ca 0.03 -1.18 -0.09 0.00 -1.03 0.00 0.00 54.13 51.87 3a2m s LEU 35 Cb -0.14 -1.36 0.11 0.00 0.03 0.00 0.00 46.19 44.83 3a2m s LEU 35 CO 0.03 -0.18 1.11 -1.38 0.23 0.00 0.00 176.35 176.15 3a2m s HIS 36 N 1.27 2.41 0.00 0.29 -3.43 -1.26 -2.70 115.29 111.86 3a2m s HIS 36 Ca -0.06 0.35 0.00 0.00 -0.80 0.00 0.00 55.06 54.55 3a2m s HIS 36 Cb -0.18 -3.43 0.00 0.00 -1.43 0.00 0.00 32.58 27.53 3a2m s HIS 36 CO -0.06 -1.80 0.00 0.41 -2.00 0.00 0.00 174.74 171.28 3a2m n GLY 37 N -3.17 5.30 3.83 -1.38 0.00 -1.24 -2.88 105.19 105.65 3a2m n GLY 37 Ca 0.11 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 3a2m n GLY 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a2m s ASN 38 N 1.00 6.50 -0.81 1.61 2.47 -1.26 -1.64 114.94 122.80 3a2m s ASN 38 Ca 0.00 0.59 -0.01 0.00 0.42 0.00 0.00 52.86 53.86 3a2m s ASN 38 Cb 0.00 -2.14 0.36 0.00 -1.45 0.00 0.00 41.25 38.01 3a2m s ASN 38 CO 0.00 0.31 1.88 -0.81 -3.72 0.00 0.00 177.10 174.76 3a2m n PRO 39 N 2.35 3.09 -0.20 0.43 -0.04 -1.26 -4.97 135.00 134.41 3a2m n PRO 39 Ca -0.17 -3.77 0.00 0.00 -0.04 0.00 0.00 63.50 59.52 3a2m n PRO 39 Cb 0.53 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 3a2m n PRO 39 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3a2m n THR 40 N -0.48 0.00 -3.07 0.52 -2.24 -0.65 -4.96 114.28 103.39 3a2m n THR 40 Ca 0.51 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.29 3a2m n THR 40 Cb 0.29 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 3a2m n THR 40 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3a2m n SER 41 N -0.50 -0.01 0.20 3.42 3.41 -1.26 -4.35 113.62 114.53 3a2m n SER 41 Ca 0.00 -1.01 0.14 0.00 -0.26 0.00 0.00 58.87 57.74 3a2m n SER 41 Cb 0.00 0.02 0.72 0.00 -0.26 0.00 0.00 64.21 64.69 3a2m n SER 41 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3a2m h SER 42 N 0.01 0.00 -1.01 4.04 4.64 -1.85 -1.89 113.55 117.50 3a2m h SER 42 Ca -0.00 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.56 3a2m h SER 42 Cb 0.01 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.00 3a2m h SER 42 CO 0.00 0.00 0.64 -0.74 -0.87 0.00 0.00 176.83 175.86 3a2m h HIS 43 N 0.00 0.76 0.00 4.77 -0.00 -1.94 -1.67 115.15 117.07 3a2m h HIS 43 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3a2m h HIS 43 Cb 0.05 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.24 3a2m h HIS 43 CO 0.00 0.11 0.00 0.97 -0.00 0.00 0.00 177.93 179.01 3a2m h ILE 44 N 0.49 0.00 -0.18 6.26 2.10 -1.75 -2.24 117.51 122.20 3a2m h ILE 44 Ca 0.58 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 66.27 3a2m h ILE 44 Cb 1.30 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 38.10 3a2m h ILE 44 CO -0.32 0.00 0.00 0.79 -1.08 0.00 0.00 178.15 177.54 3a2m n TRP 45 N -2.62 0.21 -0.10 2.19 7.02 -0.63 -4.63 117.44 118.88 3a2m n TRP 45 Ca 0.00 -0.10 0.06 0.00 -1.02 0.00 0.00 57.50 56.44 3a2m n TRP 45 Cb 0.20 0.00 0.39 0.00 -2.42 0.00 0.00 31.31 29.49 3a2m n TRP 45 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 3a2m h ARG 46 N 3.82 0.63 -0.02 -0.99 0.11 -1.46 -0.09 114.38 116.38 3a2m h ARG 46 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 3a2m h ARG 46 Cb 0.83 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.76 3a2m h ARG 46 CO 0.00 0.42 -0.09 0.09 0.10 0.00 0.00 179.97 180.48 3a2m n ASN 47 N -4.47 1.90 -0.11 0.08 5.03 -1.26 -4.16 115.26 112.28 3a2m n ASN 47 Ca 0.07 -1.54 -0.20 0.00 0.87 0.00 0.00 54.58 53.78 3a2m n ASN 47 Cb 0.17 0.07 -0.12 0.00 -1.02 0.00 0.00 39.78 38.88 3a2m n ASN 47 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3a2m n ILE 48 N 0.35 1.55 -0.24 2.41 5.41 -0.22 -4.56 119.36 124.07 3a2m n ILE 48 Ca 0.15 -0.55 0.05 0.00 1.00 0.00 0.00 62.75 63.40 3a2m n ILE 48 Cb 0.44 -1.55 0.17 0.00 -0.71 0.00 0.00 39.64 37.99 3a2m n ILE 48 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3a2m h LEU 49 N -0.13 0.04 -2.27 1.39 3.38 -1.26 -0.94 115.31 115.53 3a2m h LEU 49 Ca -0.56 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3a2m h LEU 49 Cb 1.88 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.80 3a2m h LEU 49 CO -0.10 -0.01 -0.05 -0.65 0.09 0.00 0.00 178.44 177.72 3a2m h PRO 50 N 0.29 0.00 0.00 1.13 0.11 -1.80 -0.17 132.00 131.56 3a2m h PRO 50 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 3a2m h PRO 50 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3a2m h PRO 50 CO -0.48 0.05 -0.59 -0.07 -0.21 0.00 0.00 178.00 176.70 3a2m h LEU 51 N 0.00 0.00 0.00 2.35 3.38 -1.42 -3.35 115.31 116.27 3a2m h LEU 51 Ca -0.00 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.71 3a2m h LEU 51 Cb 0.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3a2m h LEU 51 CO 0.01 0.01 -2.25 0.52 0.09 0.00 0.00 178.44 176.81 3a2m n VAL 52 N -2.75 0.91 0.23 1.22 0.31 -0.88 -4.57 118.33 112.79 3a2m n VAL 52 Ca 0.02 -0.73 0.14 0.00 -0.01 0.00 0.00 64.34 63.76 3a2m n VAL 52 Cb 0.53 -0.30 0.80 0.00 -0.91 0.00 0.00 33.84 33.95 3a2m n VAL 52 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3a2m h SER 53 N 0.00 0.00 0.33 4.52 4.64 -1.18 -0.72 113.55 121.14 3a2m h SER 53 Ca -0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 3a2m h SER 53 Cb 1.82 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.91 3a2m h SER 53 CO 0.02 0.00 -0.02 -0.65 -0.87 0.00 0.00 176.83 175.31 3a2m h PRO 54 N 0.00 0.00 -0.00 4.77 0.11 -1.81 -3.17 132.00 131.90 3a2m h PRO 54 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3a2m h PRO 54 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3a2m h PRO 54 CO -0.00 0.02 -0.05 1.33 -0.21 0.00 0.00 178.00 179.09 3a2m n VAL 55 N -3.26 0.00 -3.53 3.15 0.24 -0.32 -4.97 118.33 109.66 3a2m n VAL 55 Ca -0.02 -0.47 -0.14 0.00 -2.04 0.00 0.00 64.34 61.67 3a2m n VAL 55 Cb 0.16 1.06 -0.05 0.00 -1.47 0.00 0.00 33.84 33.55 3a2m n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a2m s ALA 56 N -0.63 -1.45 -0.62 2.33 0.00 -0.97 -4.47 121.76 115.94 3a2m s ALA 56 Ca 0.04 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 52.41 3a2m s ALA 56 Cb 0.03 0.46 0.05 0.00 0.00 0.00 0.00 23.12 23.66 3a2m s ALA 56 CO 0.08 -0.56 1.03 -1.58 0.00 0.00 0.00 175.76 174.73 3a2m s HIS 57 N -2.64 2.65 -0.11 0.00 2.46 0.22 -4.17 115.29 113.71 3a2m s HIS 57 Ca -0.04 -0.13 -0.17 0.00 0.47 0.00 0.00 55.06 55.19 3a2m s HIS 57 Cb -0.00 -4.28 -0.04 0.00 -0.13 0.00 0.00 32.58 28.12 3a2m s HIS 57 CO -0.03 -1.58 0.44 0.00 -2.47 0.00 0.00 174.74 171.10 3a2m s ILE 59 N 0.42 0.78 -0.45 0.00 1.01 -0.06 -1.69 121.20 121.21 3a2m s ILE 59 Ca 0.24 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.78 3a2m s ILE 59 Cb -0.15 -0.85 0.13 0.00 0.01 0.00 0.00 42.46 41.60 3a2m s ILE 59 CO 0.10 0.33 0.23 0.00 0.00 0.00 0.00 174.94 175.59 3a2m s ALA 60 N 1.77 2.51 0.52 9.38 0.00 0.13 -1.06 121.76 135.02 3a2m s ALA 60 Ca 0.04 -2.75 -0.18 0.00 0.00 0.00 0.00 51.96 49.07 3a2m s ALA 60 Cb -0.13 -1.96 -0.07 0.00 0.00 0.00 0.00 23.12 20.96 3a2m s ALA 60 CO -0.07 -2.01 1.03 -1.25 0.00 0.00 0.00 175.76 173.46 3a2m s PRO 61 N 0.26 3.71 -0.19 0.00 0.04 -1.25 -1.38 135.00 136.19 3a2m s PRO 61 Ca 0.17 1.22 -0.22 0.00 0.04 0.00 0.00 61.00 62.20 3a2m s PRO 61 Cb -0.24 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 3a2m s PRO 61 CO -0.01 -0.49 0.70 -0.51 0.04 0.00 0.00 177.00 176.72 3a2m s ASP 62 N -2.45 6.77 0.64 6.66 1.01 0.24 -4.32 116.67 125.22 3a2m s ASP 62 Ca 0.64 0.95 -0.18 0.00 0.71 0.00 0.00 52.55 54.67 3a2m s ASP 62 Cb -0.14 -2.38 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 3a2m s ASP 62 CO 0.27 -0.32 0.97 0.18 0.21 0.00 0.00 175.17 176.48 3a2m n LEU 63 N 5.13 3.80 -4.65 1.23 4.77 -1.26 -4.43 117.00 121.59 3a2m n LEU 63 Ca 0.01 0.77 -0.47 0.00 -0.03 0.00 0.00 56.01 56.29 3a2m n LEU 63 Cb 0.49 -1.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.14 3a2m n LEU 63 CO 0.45 -1.89 1.09 0.00 -1.33 0.00 0.00 177.39 175.71 3a2m n ILE 64 N -1.95 0.28 -0.56 -0.08 0.13 -1.26 -0.75 119.36 115.17 3a2m n ILE 64 Ca 0.14 -0.07 0.00 0.00 -1.10 0.00 0.00 62.75 61.72 3a2m n ILE 64 Cb 0.48 -1.39 0.00 0.00 -0.84 0.00 0.00 39.64 37.89 3a2m n ILE 64 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3a2m n GLY 65 N 2.90 1.30 3.60 4.50 0.00 -0.47 -5.03 105.19 112.00 3a2m n GLY 65 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3a2m n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a2m s PHE 66 N -3.35 2.53 0.00 1.61 0.08 0.07 -4.86 117.98 114.07 3a2m s PHE 66 Ca 0.00 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.69 3a2m s PHE 66 Cb 0.00 -1.31 0.00 0.00 -0.57 0.00 0.00 43.02 41.14 3a2m s PHE 66 CO 0.00 0.56 0.00 0.41 -0.10 0.00 0.00 175.22 176.09 3a2m n GLY 67 N -0.87 3.12 1.70 4.36 0.00 -1.26 -1.07 105.19 111.16 3a2m n GLY 67 Ca -0.05 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.09 3a2m n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3a2m n GLN 68 N 14.00 4.11 -1.70 1.61 6.02 -1.26 -4.57 117.38 135.59 3a2m n GLN 68 Ca 0.00 -2.95 -0.30 0.00 -0.01 0.00 0.00 57.00 53.73 3a2m n GLN 68 Cb 0.00 -2.02 0.06 0.00 1.02 0.00 0.00 30.24 29.30 3a2m n GLN 68 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3a2m s SER 69 N -0.85 5.18 0.93 1.08 0.01 -0.23 -4.36 113.70 115.46 3a2m s SER 69 Ca 0.52 1.33 -0.10 0.00 1.31 0.00 0.00 55.95 59.01 3a2m s SER 69 Cb 0.36 -2.15 0.15 0.00 0.21 0.00 0.00 66.02 64.59 3a2m s SER 69 CO 0.22 -1.53 1.14 -0.83 0.41 0.00 0.00 173.24 172.65 3a2m s GLY 70 N -4.06 1.68 -0.59 3.44 0.00 0.79 -4.54 107.32 104.03 3a2m s GLY 70 Ca 0.59 0.54 0.06 0.00 0.00 0.00 0.00 44.72 45.91 3a2m s GLY 70 CO 0.54 0.97 0.76 0.28 0.00 0.00 0.00 173.10 175.65 3a2m n LYS 71 N -4.27 2.39 -1.16 2.90 5.02 -1.26 -1.36 118.16 120.42 3a2m n LYS 71 Ca 0.11 -4.49 -0.30 0.00 -2.02 0.00 0.00 58.31 51.61 3a2m n LYS 71 Cb 0.52 -2.11 0.13 0.00 -0.02 0.00 0.00 35.03 33.55 3a2m n LYS 71 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3a2m s PRO 72 N -2.50 1.53 -1.01 1.97 0.04 -1.26 -4.91 135.00 128.86 3a2m s PRO 72 Ca 0.41 1.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.26 3a2m s PRO 72 Cb 0.18 -1.82 0.09 0.00 0.04 0.00 0.00 34.50 32.99 3a2m s PRO 72 CO -0.05 -2.11 1.34 0.34 0.04 0.00 0.00 177.00 176.56 3a2m s ASP 73 N -3.31 6.61 0.26 6.66 -1.08 -1.26 -4.91 116.67 119.64 3a2m s ASP 73 Ca 0.63 -1.85 0.03 0.00 -0.52 0.00 0.00 52.55 50.84 3a2m s ASP 73 Cb -0.18 -2.49 -0.04 0.00 -1.46 0.00 0.00 42.92 38.75 3a2m s ASP 73 CO 0.57 -1.26 0.18 0.27 0.52 0.00 0.00 175.17 175.45 3a2m s ILE 74 N 3.81 0.09 -0.57 4.11 -4.36 -1.26 -5.06 121.20 117.95 3a2m s ILE 74 Ca 0.41 -2.00 0.24 0.00 -0.26 0.00 0.00 60.65 59.04 3a2m s ILE 74 Cb -0.02 -2.51 0.25 0.00 1.25 0.00 0.00 42.46 41.44 3a2m s ILE 74 CO -0.08 0.00 1.60 0.00 0.24 0.00 0.00 174.94 176.70 3a2m h ALA 75 N 2.38 0.90 -5.13 2.27 0.00 -2.02 -3.48 119.26 114.19 3a2m h ALA 75 Ca -0.32 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.18 3a2m h ALA 75 Cb 1.24 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.06 3a2m h ALA 75 CO 0.48 0.00 -0.63 0.66 0.00 0.00 0.00 179.25 179.76 3a2m n TYR 76 N -2.58 -2.11 -1.45 0.00 4.01 -1.26 -4.88 117.16 108.89 3a2m n TYR 76 Ca 0.04 0.63 -0.29 0.00 -0.16 0.00 0.00 57.90 58.13 3a2m n TYR 76 Cb 0.48 -4.17 0.14 0.00 -0.31 0.00 0.00 39.34 35.48 3a2m n TYR 76 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3a2m s ARG 77 N -5.98 1.12 0.19 -0.72 0.52 -1.26 -4.57 118.95 108.25 3a2m s ARG 77 Ca 0.41 0.41 -0.12 0.00 -0.52 0.00 0.00 55.73 55.91 3a2m s ARG 77 Cb -0.20 -1.83 0.16 0.00 0.52 0.00 0.00 34.95 33.61 3a2m s ARG 77 CO 0.51 -2.24 1.80 0.35 0.02 0.00 0.00 175.30 175.74 3a2m h PHE 78 N -1.53 0.54 0.00 -0.53 3.57 -1.94 -1.58 116.94 115.47 3a2m h PHE 78 Ca -0.51 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 60.98 3a2m h PHE 78 Cb 1.32 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 3a2m h PHE 78 CO 0.32 0.27 -0.18 0.74 -2.23 0.00 0.00 178.31 177.23 3a2m h PHE 79 N 0.57 0.00 -0.22 0.41 0.04 -1.99 -0.70 116.94 115.05 3a2m h PHE 79 Ca 0.24 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.00 3a2m h PHE 79 Cb 0.13 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 3a2m h PHE 79 CO -0.09 0.18 0.09 -0.44 -0.60 0.00 0.00 178.31 177.45 3a2m h ASP 80 N 0.00 0.30 -0.92 2.17 3.32 -1.66 -2.06 116.42 117.56 3a2m h ASP 80 Ca -0.00 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 56.90 3a2m h ASP 80 Cb 0.42 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 3a2m h ASP 80 CO 0.02 0.38 0.61 0.45 -1.72 0.00 0.00 179.24 178.99 3a2m h HIS 81 N 0.20 1.15 -0.10 4.55 3.86 -0.76 -1.69 115.15 122.36 3a2m h HIS 81 Ca 0.07 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.34 3a2m h HIS 81 Cb 0.17 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 3a2m h HIS 81 CO -0.01 0.71 -0.07 0.28 0.86 0.00 0.00 177.93 179.70 3a2m h VAL 82 N 1.23 0.79 -0.10 2.45 2.07 -1.03 -0.46 116.25 121.19 3a2m h VAL 82 Ca 0.35 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.87 3a2m h VAL 82 Cb -0.10 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3a2m h VAL 82 CO -0.08 0.00 0.07 0.03 0.02 0.00 0.00 177.57 177.60 3a2m h ARG 83 N -0.08 0.13 -0.74 1.57 3.08 -0.98 -1.22 114.38 116.15 3a2m h ARG 83 Ca 0.06 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3a2m h ARG 83 Cb 0.17 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3a2m h ARG 83 CO -0.15 0.09 0.28 1.88 -1.07 0.00 0.00 179.97 181.00 3a2m h TYR 84 N 0.14 1.15 -0.37 3.04 0.05 -1.23 -1.38 116.97 118.37 3a2m h TYR 84 Ca 0.04 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.64 3a2m h TYR 84 Cb -0.01 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.37 3a2m h TYR 84 CO -0.07 0.89 -0.10 1.25 -1.05 0.00 0.00 178.16 179.08 3a2m h LEU 85 N 1.08 0.72 -0.41 3.88 5.85 -0.95 -0.05 115.31 125.42 3a2m h LEU 85 Ca 0.24 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.65 3a2m h LEU 85 Cb 0.24 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3a2m h LEU 85 CO -0.02 0.92 0.14 0.44 -0.34 0.00 0.00 178.44 179.58 3a2m h ASP 86 N 0.51 0.13 -0.53 1.25 3.32 -1.16 -0.58 116.42 119.36 3a2m h ASP 86 Ca 0.09 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 3a2m h ASP 86 Cb 0.61 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 3a2m h ASP 86 CO 0.04 0.11 0.18 0.00 -1.72 0.00 0.00 179.24 177.85 3a2m h ALA 87 N 1.27 1.24 -0.29 3.45 0.00 -1.07 -1.69 119.26 122.17 3a2m h ALA 87 Ca 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3a2m h ALA 87 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3a2m h ALA 87 CO -0.20 0.54 0.08 0.35 0.00 0.00 0.00 179.25 180.01 3a2m h PHE 88 N 0.84 0.47 -0.42 0.00 3.57 -0.42 -0.77 116.94 120.22 3a2m h PHE 88 Ca 0.19 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.67 3a2m h PHE 88 Cb 0.24 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 3a2m h PHE 88 CO 0.02 0.51 0.20 0.82 -2.23 0.00 0.00 178.31 177.63 3a2m h ILE 89 N 0.30 0.96 -0.44 1.41 2.04 -0.87 -1.10 117.51 119.80 3a2m h ILE 89 Ca 0.09 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3a2m h ILE 89 Cb 0.27 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3a2m h ILE 89 CO -0.00 0.07 0.23 -0.08 0.00 0.00 0.00 178.15 178.37 3a2m h GLU 90 N 0.41 0.62 -0.78 2.37 4.81 -1.20 -2.28 114.58 118.54 3a2m h GLU 90 Ca 0.18 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3a2m h GLU 90 Cb 0.10 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 3a2m h GLU 90 CO -0.14 0.51 0.40 0.37 -0.73 0.00 0.00 179.01 179.43 3a2m h GLN 91 N 0.57 1.09 0.00 1.92 -0.00 -0.61 -1.58 115.11 116.51 3a2m h GLN 91 Ca 0.15 -0.14 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 3a2m h GLN 91 Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 27.48 27.35 3a2m h GLN 91 CO -0.02 0.82 0.00 0.54 0.00 0.00 0.00 178.83 180.17 3a2m n ARG 92 N -4.34 0.25 -2.21 1.69 5.12 -0.46 -4.93 116.66 111.78 3a2m n ARG 92 Ca 0.08 0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.89 3a2m n ARG 92 Cb 0.12 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 29.91 3a2m n ARG 92 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a2m n GLY 93 N 1.31 -0.09 3.68 -0.13 0.00 -0.59 -4.98 105.19 104.38 3a2m n GLY 93 Ca 0.11 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3a2m n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2m s VAL 94 N -2.56 4.81 -0.03 1.61 1.01 -1.04 -4.94 120.40 119.25 3a2m s VAL 94 Ca 0.00 1.93 0.16 0.00 0.00 0.00 0.00 61.98 64.07 3a2m s VAL 94 Cb 0.00 -4.26 -0.25 0.00 0.00 0.00 0.00 36.38 31.87 3a2m s VAL 94 CO 0.00 0.00 0.34 0.35 0.00 0.00 0.00 175.10 175.79 3a2m n THR 95 N 4.63 0.08 -3.55 3.92 -2.24 -1.26 -4.76 114.28 111.10 3a2m n THR 95 Ca 0.08 -0.40 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 3a2m n THR 95 Cb 0.49 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.73 3a2m n THR 95 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a2m s SER 96 N -3.97 -0.49 -0.03 3.42 1.04 -1.26 -4.66 113.70 107.75 3a2m s SER 96 Ca -0.06 0.26 -0.30 0.00 0.48 0.00 0.00 55.95 56.34 3a2m s SER 96 Cb 0.10 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.80 3a2m s SER 96 CO 0.68 -0.71 0.66 0.00 0.98 0.00 0.00 173.24 174.84 3a2m s ALA 97 N -2.29 -1.72 0.46 5.32 0.00 -0.46 -4.37 121.76 118.69 3a2m s ALA 97 Ca -0.06 1.20 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 3a2m s ALA 97 Cb -0.01 0.10 -0.07 0.00 0.00 0.00 0.00 23.12 23.14 3a2m s ALA 97 CO -0.00 -0.41 1.18 0.71 0.00 0.00 0.00 175.76 177.24 3a2m s TYR 98 N -1.48 2.85 -0.11 0.00 2.02 0.24 -0.82 117.35 120.05 3a2m s TYR 98 Ca -0.10 1.52 0.00 0.00 -0.37 0.00 0.00 57.07 58.13 3a2m s TYR 98 Cb -0.00 -3.42 -0.02 0.00 -0.40 0.00 0.00 41.96 38.12 3a2m s TYR 98 CO 0.07 -1.61 -0.12 -0.51 -1.57 0.00 0.00 175.55 171.81 3a2m s LEU 99 N -2.99 2.79 -0.15 -1.29 1.43 -0.14 -0.55 118.68 117.77 3a2m s LEU 99 Ca 0.63 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 3a2m s LEU 99 Cb -0.30 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.32 3a2m s LEU 99 CO 0.36 0.21 -0.16 -0.69 0.23 0.00 0.00 176.35 176.31 3a2m s VAL 100 N 0.10 1.67 0.00 -1.59 1.01 -0.16 -0.06 120.40 121.38 3a2m s VAL 100 Ca -0.05 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 3a2m s VAL 100 Cb -0.15 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.69 3a2m s VAL 100 CO 0.04 0.48 0.15 0.00 0.00 0.00 0.00 175.10 175.77 3a2m s ALA 101 N 1.38 -0.36 0.02 5.51 0.00 -0.33 -0.44 121.76 127.53 3a2m s ALA 101 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 3a2m s ALA 101 Cb -0.13 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 3a2m s ALA 101 CO -0.10 -0.21 -0.00 -1.14 0.00 0.00 0.00 175.76 174.30 3a2m s GLN 102 N -1.39 0.37 6.58 0.00 -0.44 -1.10 -2.52 119.66 121.16 3a2m s GLN 102 Ca -0.15 -0.64 0.00 0.00 -2.50 0.00 0.00 55.36 52.08 3a2m s GLN 102 Cb -0.07 0.13 0.00 0.00 -1.64 0.00 0.00 33.01 31.43 3a2m s GLN 102 CO 0.02 -0.07 0.00 -3.47 0.50 0.00 0.00 175.29 172.27 3a2m n ASP 103 N 1.43 0.00 0.34 6.67 2.03 -0.71 -1.05 116.55 125.25 3a2m n ASP 103 Ca -0.23 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.30 3a2m n ASP 103 Cb 0.56 0.00 1.15 0.00 -0.72 0.00 0.00 41.12 42.11 3a2m n ASP 103 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 3a2m h TRP 104 N 0.00 0.00 -0.53 -0.67 4.06 -1.88 -0.70 115.95 116.23 3a2m h TRP 104 Ca 0.00 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.00 3a2m h TRP 104 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 3a2m h TRP 104 CO 0.00 0.00 0.35 0.78 -3.56 0.00 0.00 178.44 176.01 3a2m h GLY 105 N 0.00 0.63 1.34 1.49 0.00 -0.95 -1.84 103.07 103.74 3a2m h GLY 105 Ca 0.00 -0.21 -0.19 0.00 0.00 0.00 0.00 47.33 46.93 3a2m h GLY 105 CO -0.00 0.17 -0.66 -0.91 0.00 0.00 0.00 176.54 175.14 3a2m h THR 106 N 0.53 1.31 -0.40 4.70 1.35 -1.14 -0.53 112.91 118.72 3a2m h THR 106 Ca 0.22 -1.91 -0.01 0.00 -0.55 0.00 0.00 66.41 64.17 3a2m h THR 106 Cb 0.22 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 3a2m h THR 106 CO -0.06 0.60 0.23 0.00 -0.25 0.00 0.00 175.52 176.04 3a2m h ALA 107 N 0.77 0.51 -0.70 6.62 0.00 -1.45 0.15 119.26 125.16 3a2m h ALA 107 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3a2m h ALA 107 Cb 1.25 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3a2m h ALA 107 CO 0.13 0.03 0.40 -0.07 0.00 0.00 0.00 179.25 179.73 3a2m h LEU 108 N 0.52 0.87 -0.41 0.00 3.38 -1.26 -1.09 115.31 117.31 3a2m h LEU 108 Ca 0.14 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3a2m h LEU 108 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3a2m h LEU 108 CO -0.02 0.70 0.02 0.00 0.09 0.00 0.00 178.44 179.23 3a2m h ALA 109 N 1.20 0.55 -0.62 1.53 0.00 -0.73 -0.72 119.26 120.48 3a2m h ALA 109 Ca 0.25 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3a2m h ALA 109 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3a2m h ALA 109 CO -0.04 0.31 0.04 0.74 0.00 0.00 0.00 179.25 180.30 3a2m h PHE 110 N 0.55 1.14 -0.34 0.00 0.04 -0.54 0.25 116.94 118.04 3a2m h PHE 110 Ca 0.12 -0.18 -0.14 0.00 2.80 0.00 0.00 57.97 60.57 3a2m h PHE 110 Cb 0.45 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 3a2m h PHE 110 CO 0.03 0.98 -0.35 1.25 -0.60 0.00 0.00 178.31 179.63 3a2m h HIS 111 N 0.97 1.01 -0.10 -0.55 2.76 -1.10 -0.91 115.15 117.24 3a2m h HIS 111 Ca 0.18 -0.31 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 3a2m h HIS 111 Cb 0.50 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 3a2m h HIS 111 CO 0.04 1.10 0.06 1.25 -1.30 0.00 0.00 177.93 179.08 3a2m h LEU 112 N 0.63 0.11 -1.34 0.26 5.85 -0.97 -2.47 115.31 117.38 3a2m h LEU 112 Ca 0.05 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3a2m h LEU 112 Cb 0.94 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 3a2m h LEU 112 CO 0.09 0.08 -0.06 0.00 -0.34 0.00 0.00 178.44 178.21 3a2m h ALA 113 N 1.04 1.46 -0.08 1.25 0.00 -0.82 0.31 119.26 122.42 3a2m h ALA 113 Ca 0.04 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3a2m h ALA 113 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a2m h ALA 113 CO -0.01 0.38 -0.52 0.00 0.00 0.00 0.00 179.25 179.10 3a2m h ALA 114 N 1.59 0.97 0.10 0.00 0.00 -1.02 -2.46 119.26 118.44 3a2m h ALA 114 Ca 0.08 -0.49 -0.32 0.00 0.00 0.00 0.00 54.91 54.18 3a2m h ALA 114 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3a2m h ALA 114 CO 0.01 0.67 -1.69 0.00 0.00 0.00 0.00 179.25 178.24 3a2m h ARG 115 N 0.18 0.22 -2.09 0.00 3.08 -0.95 -3.42 114.38 111.40 3a2m h ARG 115 Ca 0.00 -0.38 -0.55 0.00 0.07 0.00 0.00 59.98 59.13 3a2m h ARG 115 Cb 0.98 0.14 -0.40 0.00 0.08 0.00 0.00 29.97 30.77 3a2m h ARG 115 CO 0.08 1.05 -0.95 0.54 -1.07 0.00 0.00 179.97 179.62 3a2m n ARG 116 N -3.40 1.64 0.29 0.04 1.74 0.10 -4.95 116.66 112.12 3a2m n ARG 116 Ca -0.21 -3.87 0.15 0.00 -0.77 0.00 0.00 57.85 53.15 3a2m n ARG 116 Cb 1.05 -1.77 0.89 0.00 -1.02 0.00 0.00 32.46 31.61 3a2m n ARG 116 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3a2m h PRO 117 N 3.52 0.00 0.00 5.56 0.13 -1.64 -1.14 132.00 138.43 3a2m h PRO 117 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3a2m h PRO 117 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3a2m h PRO 117 CO 0.61 0.04 0.00 0.38 -0.23 0.00 0.00 178.00 178.80 3a2m h ASP 118 N 0.00 0.00 1.46 1.44 2.03 -1.92 -2.38 116.42 117.05 3a2m h ASP 118 Ca -0.00 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.23 3a2m h ASP 118 Cb 0.12 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.61 3a2m h ASP 118 CO 0.01 0.00 -0.56 0.15 -1.03 0.00 0.00 179.24 177.81 3a2m h PHE 119 N 0.00 0.00 -3.61 4.15 3.57 -1.47 -3.46 116.94 116.13 3a2m h PHE 119 Ca 0.00 0.00 -0.64 0.00 3.53 0.00 0.00 57.97 60.86 3a2m h PHE 119 Cb 0.31 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 38.91 3a2m h PHE 119 CO 0.00 0.31 0.25 0.08 -2.23 0.00 0.00 178.31 176.72 3a2m s VAL 120 N -3.08 4.74 0.19 1.41 1.01 -0.90 -1.35 120.40 122.41 3a2m s VAL 120 Ca 0.03 0.33 0.10 0.00 0.00 0.00 0.00 61.98 62.45 3a2m s VAL 120 Cb 0.07 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 3a2m s VAL 120 CO 0.74 -0.64 1.51 0.03 0.00 0.00 0.00 175.10 176.74 3a2m h ARG 121 N 8.89 0.00 0.00 2.72 3.08 -1.29 -3.47 114.38 124.30 3a2m h ARG 121 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3a2m h ARG 121 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3a2m h ARG 121 CO 0.92 0.71 0.00 0.41 -1.07 0.00 0.00 179.97 180.94 3a2m n GLY 122 N 0.66 0.82 2.92 0.04 0.00 -1.26 -4.40 105.19 103.97 3a2m n GLY 122 Ca -0.00 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 3a2m n GLY 122 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a2m s LEU 123 N 0.00 1.30 -0.18 0.99 2.96 -0.40 -0.97 118.68 122.39 3a2m s LEU 123 Ca 0.00 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.49 3a2m s LEU 123 Cb 0.00 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 3a2m s LEU 123 CO 0.00 -0.12 -0.01 0.00 -1.32 0.00 0.00 176.35 174.90 3a2m s ALA 124 N 1.67 3.03 0.17 5.97 0.00 0.92 -0.85 121.76 132.67 3a2m s ALA 124 Ca 0.04 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 3a2m s ALA 124 Cb -0.13 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 3a2m s ALA 124 CO -0.08 0.02 0.30 -0.59 0.00 0.00 0.00 175.76 175.41 3a2m s PHE 125 N 0.70 0.38 -0.13 0.00 -0.12 0.23 -1.19 117.98 117.86 3a2m s PHE 125 Ca -0.01 -0.74 -0.30 0.00 -0.05 0.00 0.00 56.93 55.83 3a2m s PHE 125 Cb -0.14 -0.03 0.12 0.00 -0.63 0.00 0.00 43.02 42.34 3a2m s PHE 125 CO 0.02 -0.74 0.95 0.00 -0.05 0.00 0.00 175.22 175.40 3a2m s MET 126 N -3.97 0.68 -1.25 1.99 0.23 -1.05 -1.02 119.30 114.91 3a2m s MET 126 Ca 0.17 0.09 -0.23 0.00 -1.03 0.00 0.00 55.69 54.69 3a2m s MET 126 Cb 0.03 0.32 0.02 0.00 -1.53 0.00 0.00 34.83 33.67 3a2m s MET 126 CO 0.00 -0.23 0.61 0.39 -2.03 0.00 0.00 175.02 173.77 3a2m n GLU 127 N 0.60 -0.91 -3.45 3.16 -0.58 -1.26 -3.67 120.64 114.54 3a2m n GLU 127 Ca -0.11 0.22 -0.22 0.00 -0.42 0.00 0.00 57.16 56.63 3a2m n GLU 127 Cb 0.58 -3.30 -0.01 0.00 -0.57 0.00 0.00 31.44 28.15 3a2m n GLU 127 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 3a2m s PHE 128 N -3.65 3.32 -0.04 -0.32 -0.12 -1.26 -1.74 117.98 114.16 3a2m s PHE 128 Ca 0.38 0.09 -0.15 0.00 -0.05 0.00 0.00 56.93 57.20 3a2m s PHE 128 Cb -0.18 -1.94 -0.05 0.00 -0.63 0.00 0.00 43.02 40.21 3a2m s PHE 128 CO 0.94 0.05 0.40 0.42 -0.05 0.00 0.00 175.22 176.98 3a2m s ILE 129 N -2.26 5.10 0.07 -4.49 1.01 -1.26 -4.80 121.20 114.58 3a2m s ILE 129 Ca 0.42 0.81 0.01 0.00 0.00 0.00 0.00 60.65 61.89 3a2m s ILE 129 Cb -0.10 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3a2m s ILE 129 CO 0.33 0.51 -0.05 0.00 0.00 0.00 0.00 174.94 175.73 3a2m s ARG 130 N -0.60 0.71 0.27 2.79 1.70 -1.26 -4.76 118.95 117.80 3a2m s ARG 130 Ca 0.23 -1.21 -0.31 0.00 -0.47 0.00 0.00 55.73 53.98 3a2m s ARG 130 Cb -0.16 -0.06 -0.12 0.00 -0.57 0.00 0.00 34.95 34.04 3a2m s ARG 130 CO 0.12 -0.04 1.59 -2.30 -1.08 0.00 0.00 175.30 173.58 3a2m n PRO 131 N 0.23 2.62 -3.95 3.89 -0.02 -1.26 -4.75 135.00 131.76 3a2m n PRO 131 Ca -0.14 0.93 -0.31 0.00 -2.02 0.00 0.00 63.50 61.96 3a2m n PRO 131 Cb 0.60 -2.71 -0.15 0.00 -0.02 0.00 0.00 33.50 31.22 3a2m n PRO 131 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3a2m s MET 132 N -0.22 1.36 0.42 -0.52 -1.94 0.06 -4.99 119.30 113.47 3a2m s MET 132 Ca 0.66 -1.78 0.11 0.00 -1.71 0.00 0.00 55.69 52.98 3a2m s MET 132 Cb -0.52 -2.96 0.96 0.00 2.01 0.00 0.00 34.83 34.32 3a2m s MET 132 CO 0.46 -0.97 2.01 -1.35 -0.01 0.00 0.00 175.02 175.16 3a2m h PRO 133 N 7.60 0.46 -5.00 2.03 0.11 -1.93 0.21 132.00 135.48 3a2m h PRO 133 Ca -0.06 -0.03 -0.36 0.00 0.11 0.00 0.00 66.00 65.66 3a2m h PRO 133 Cb 1.01 -0.10 -0.14 0.00 0.11 0.00 0.00 31.00 31.87 3a2m h PRO 133 CO 0.52 0.30 -0.65 0.95 -0.21 0.00 0.00 178.00 178.91 3a2m s THR 134 N -5.44 0.89 0.58 -1.15 -4.23 -1.26 -3.32 115.64 101.70 3a2m s THR 134 Ca -0.08 -2.02 0.27 0.00 -1.18 0.00 0.00 61.69 58.69 3a2m s THR 134 Cb 0.19 -2.35 0.36 0.00 1.34 0.00 0.00 72.50 72.03 3a2m s THR 134 CO 0.74 -0.30 2.10 -0.50 -0.54 0.00 0.00 174.62 176.12 3a2m h TRP 135 N 2.50 0.00 0.00 3.99 4.06 -1.95 -0.94 115.95 123.60 3a2m h TRP 135 Ca -0.38 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.57 3a2m h TRP 135 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 3a2m h TRP 135 CO 0.55 0.00 0.00 1.96 -3.56 0.00 0.00 178.44 177.39 3a2m h GLN 136 N 0.00 0.00 -0.00 0.49 7.50 -1.96 -1.74 115.11 119.40 3a2m h GLN 136 Ca 0.10 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.25 3a2m h GLN 136 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.02 3a2m h GLN 136 CO -0.00 0.00 -0.19 -0.25 -1.50 0.00 0.00 178.83 176.89 3a2m n ASP 137 N -2.71 0.21 -4.64 1.46 8.00 -0.36 -4.06 116.55 114.45 3a2m n ASP 137 Ca 0.01 0.15 -0.40 0.00 0.71 0.00 0.00 54.79 55.26 3a2m n ASP 137 Cb 0.25 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 3a2m n ASP 137 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3a2m s PHE 138 N -2.96 3.32 -1.42 1.24 5.36 -0.66 -3.77 117.98 119.09 3a2m s PHE 138 Ca 0.14 0.84 -0.10 0.00 -0.96 0.00 0.00 56.93 56.85 3a2m s PHE 138 Cb 0.19 -2.80 0.03 0.00 -0.34 0.00 0.00 43.02 40.09 3a2m s PHE 138 CO 0.59 -0.25 1.08 1.58 -1.46 0.00 0.00 175.22 176.76 3a2m n HIS 139 N 5.38 -2.66 -1.75 10.12 -0.00 -1.26 -4.83 115.22 120.21 3a2m n HIS 139 Ca -0.01 0.94 -0.42 0.00 0.46 0.00 0.00 57.72 58.69 3a2m n HIS 139 Cb 0.49 -4.71 -0.03 0.00 -0.12 0.00 0.00 29.99 25.62 3a2m n HIS 139 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 3a2m s HIS 140 N -3.30 2.75 -0.03 1.57 2.46 -1.25 -4.79 115.29 112.70 3a2m s HIS 140 Ca 0.58 0.29 -0.00 0.00 0.47 0.00 0.00 55.06 56.40 3a2m s HIS 140 Cb -0.27 -4.12 0.03 0.00 -0.13 0.00 0.00 32.58 28.09 3a2m s HIS 140 CO 0.72 -4.33 0.03 -0.08 -2.47 0.00 0.00 174.74 168.61 3a2m s THR 141 N 1.54 0.04 -0.09 0.89 -1.32 -1.26 -4.46 115.64 110.97 3a2m s THR 141 Ca 0.76 0.22 0.28 0.00 -1.21 0.00 0.00 61.69 61.74 3a2m s THR 141 Cb -0.48 -0.19 0.30 0.00 -1.51 0.00 0.00 72.50 70.61 3a2m s THR 141 CO 0.33 0.14 1.86 1.05 -2.21 0.00 0.00 174.62 175.79 3a2m h GLU 142 N 7.63 0.00 -5.61 7.08 9.09 -1.99 -3.47 114.58 127.32 3a2m h GLU 142 Ca -0.35 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.45 3a2m h GLU 142 Cb 1.12 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 28.11 3a2m h GLU 142 CO 0.38 0.00 0.24 0.08 0.05 0.00 0.00 179.01 179.76 3a2m s VAL 143 N -3.59 4.86 0.33 -1.06 1.01 -1.26 -4.98 120.40 115.71 3a2m s VAL 143 Ca 0.00 0.89 0.11 0.00 0.00 0.00 0.00 61.98 62.98 3a2m s VAL 143 Cb 0.09 -4.08 0.32 0.00 0.00 0.00 0.00 36.38 32.71 3a2m s VAL 143 CO 0.36 -0.24 1.71 0.00 0.00 0.00 0.00 175.10 176.93 3a2m h ALA 144 N 8.27 1.86 -0.00 5.51 0.00 -2.02 0.39 119.26 133.27 3a2m h ALA 144 Ca -0.26 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3a2m h ALA 144 Cb 1.11 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3a2m h ALA 144 CO 0.84 -0.38 -0.08 -1.91 0.00 0.00 0.00 179.25 177.73 3a2m n GLU 145 N -4.94 0.36 0.00 0.00 2.13 -1.26 -2.79 120.64 114.14 3a2m n GLU 145 Ca 0.29 -0.07 0.10 0.00 0.66 0.00 0.00 57.16 58.14 3a2m n GLU 145 Cb 0.83 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.97 3a2m n GLU 145 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3a2m n GLU 146 N -1.26 0.00 -0.30 5.31 -0.58 0.11 -4.69 120.64 119.23 3a2m n GLU 146 Ca 0.12 -0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.83 3a2m n GLU 146 Cb 0.28 -1.50 0.13 0.00 -0.57 0.00 0.00 31.44 29.78 3a2m n GLU 146 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3a2m h GLN 147 N 0.00 1.18 -0.31 3.49 1.08 -1.33 -1.12 115.11 118.10 3a2m h GLN 147 Ca 0.00 -0.13 -0.17 0.00 -1.45 0.00 0.00 58.65 56.90 3a2m h GLN 147 Cb 0.50 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.69 3a2m h GLN 147 CO 0.00 0.85 -0.48 -0.44 -0.95 0.00 0.00 178.83 177.82 3a2m h ASP 148 N 1.19 0.95 -0.50 1.46 3.32 -1.84 -0.36 116.42 120.65 3a2m h ASP 148 Ca 0.30 -0.51 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 3a2m h ASP 148 Cb 0.00 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3a2m h ASP 148 CO -0.05 1.28 -0.02 -0.74 -1.72 0.00 0.00 179.24 177.99 3a2m h HIS 149 N 0.66 0.98 -0.73 4.55 2.76 -1.80 0.27 115.15 121.83 3a2m h HIS 149 Ca 0.03 -0.18 0.03 0.00 -2.20 0.00 0.00 60.37 58.05 3a2m h HIS 149 Cb 1.08 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 29.74 3a2m h HIS 149 CO 0.07 0.92 0.46 0.00 -1.30 0.00 0.00 177.93 178.08 3a2m h ALA 150 N 0.93 0.96 -0.62 5.26 0.00 -1.15 -1.38 119.26 123.26 3a2m h ALA 150 Ca 0.14 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3a2m h ALA 150 Cb 0.54 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3a2m h ALA 150 CO 0.03 0.25 0.12 0.93 0.00 0.00 0.00 179.25 180.58 3a2m h GLU 151 N 0.90 1.01 -0.72 0.00 4.39 -0.59 -1.88 114.58 117.69 3a2m h GLU 151 Ca 0.29 -0.26 0.04 0.00 0.34 0.00 0.00 59.36 59.78 3a2m h GLU 151 Cb 0.02 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 3a2m h GLU 151 CO -0.11 0.93 0.44 0.00 -1.16 0.00 0.00 179.01 179.11 3a2m h ALA 152 N 1.03 0.95 -0.71 3.43 0.00 -0.69 -1.19 119.26 122.09 3a2m h ALA 152 Ca 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3a2m h ALA 152 Cb 0.39 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3a2m h ALA 152 CO 0.01 0.19 0.33 0.00 0.00 0.00 0.00 179.25 179.78 3a2m h ALA 153 N 1.32 0.91 -0.77 0.00 0.00 -1.01 -1.14 119.26 118.57 3a2m h ALA 153 Ca 0.30 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3a2m h ALA 153 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3a2m h ALA 153 CO -0.13 0.48 0.28 0.00 0.00 0.00 0.00 179.25 179.88 3a2m h ARG 154 N 0.99 1.18 -0.62 0.00 3.08 -0.83 -1.79 114.38 116.38 3a2m h ARG 154 Ca 0.24 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3a2m h ARG 154 Cb 0.13 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3a2m h ARG 154 CO -0.03 0.97 0.20 0.00 -1.07 0.00 0.00 179.97 180.04 3a2m h ALA 155 N 1.16 0.82 -0.14 0.04 0.00 -0.84 0.12 119.26 120.41 3a2m h ALA 155 Ca 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3a2m h ALA 155 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3a2m h ALA 155 CO -0.02 0.49 0.06 0.28 0.00 0.00 0.00 179.25 180.06 3a2m h VAL 156 N 0.90 1.15 -0.02 0.00 2.07 -0.99 -2.11 116.25 117.24 3a2m h VAL 156 Ca 0.20 -0.44 -0.13 0.00 0.82 0.00 0.00 66.70 67.15 3a2m h VAL 156 Cb 0.29 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3a2m h VAL 156 CO -0.01 0.14 -0.60 -0.26 0.02 0.00 0.00 177.57 176.86 3a2m h PHE 157 N 0.07 0.10 -0.65 1.57 -1.00 -1.16 -0.55 116.94 115.32 3a2m h PHE 157 Ca 0.05 -0.04 0.02 0.00 2.81 0.00 0.00 57.97 60.81 3a2m h PHE 157 Cb 0.16 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.67 3a2m h PHE 157 CO -0.02 0.66 0.41 0.00 -1.61 0.00 0.00 178.31 177.76 3a2m h ARG 158 N 0.06 0.80 -0.33 1.51 3.08 -0.67 -1.80 114.38 117.03 3a2m h ARG 158 Ca -0.01 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3a2m h ARG 158 Cb 1.08 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3a2m h ARG 158 CO 0.08 0.53 0.12 0.87 -1.07 0.00 0.00 179.97 180.50 3a2m h LYS 159 N 0.83 0.51 -0.99 0.04 1.57 -0.93 -2.49 116.57 115.11 3a2m h LYS 159 Ca 0.25 -0.10 0.19 0.00 -1.87 0.00 0.00 60.65 59.12 3a2m h LYS 159 Cb -0.03 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.10 3a2m h LYS 159 CO -0.08 0.53 0.61 0.74 -0.57 0.00 0.00 179.45 180.68 3a2m h PHE 160 N 0.39 0.99 -0.00 -1.35 0.04 -0.85 -1.39 116.94 114.77 3a2m h PHE 160 Ca 0.11 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.91 3a2m h PHE 160 Cb 0.22 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.08 3a2m h PHE 160 CO 0.00 0.23 -0.06 0.54 -0.60 0.00 0.00 178.31 178.42 3a2m n ARG 161 N -4.71 0.60 -3.19 1.51 1.74 -0.70 -3.97 116.66 107.94 3a2m n ARG 161 Ca 0.23 -0.13 -0.39 0.00 -0.77 0.00 0.00 57.85 56.79 3a2m n ARG 161 Cb 0.59 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.48 3a2m n ARG 161 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3a2m s THR 162 N -2.48 5.11 0.26 0.55 2.01 -0.54 -4.99 115.64 115.56 3a2m s THR 162 Ca 0.30 1.16 -0.30 0.00 0.31 0.00 0.00 61.69 63.15 3a2m s THR 162 Cb 0.20 -3.91 -0.13 0.00 0.01 0.00 0.00 72.50 68.67 3a2m s THR 162 CO 0.46 0.26 1.36 -2.65 -0.69 0.00 0.00 174.62 173.36 3a2m n PRO 163 N 4.00 2.00 0.00 4.92 -0.02 -1.26 -2.25 135.00 142.39 3a2m n PRO 163 Ca -0.04 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3a2m n PRO 163 Cb 0.51 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3a2m n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a2m n GLY 164 N 1.79 1.83 0.14 -1.23 0.00 -1.26 -4.70 105.19 101.76 3a2m n GLY 164 Ca 0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 3a2m n GLY 164 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a2m h GLU 165 N 0.00 0.38 -0.58 1.61 4.39 -1.72 -2.81 114.58 115.84 3a2m h GLU 165 Ca 0.00 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.51 3a2m h GLU 165 Cb 0.00 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3a2m h GLU 165 CO 0.00 0.59 0.10 0.78 -1.16 0.00 0.00 179.01 179.32 3a2m h GLY 166 N 0.12 1.00 0.67 -3.84 0.00 -1.27 -1.83 103.07 97.93 3a2m h GLY 166 Ca 0.06 -0.63 0.05 0.00 0.00 0.00 0.00 47.33 46.80 3a2m h GLY 166 CO 0.01 0.59 0.17 0.83 0.00 0.00 0.00 176.54 178.14 3a2m h GLU 167 N 0.88 0.34 -0.69 4.80 3.07 -1.81 0.15 114.58 121.32 3a2m h GLU 167 Ca 0.18 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.97 3a2m h GLU 167 Cb 0.38 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 3a2m h GLU 167 CO 0.01 0.23 0.24 0.00 -1.40 0.00 0.00 179.01 178.08 3a2m h ALA 168 N 1.26 0.90 -0.02 3.43 0.00 -1.18 -0.37 119.26 123.29 3a2m h ALA 168 Ca 0.19 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3a2m h ALA 168 Cb 0.16 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a2m h ALA 168 CO -0.18 0.56 -0.31 0.52 0.00 0.00 0.00 179.25 179.84 3a2m h MET 169 N 1.00 0.24 0.05 0.00 2.86 -1.01 -1.03 114.93 117.04 3a2m h MET 169 Ca 0.23 -0.24 -0.34 0.00 -2.06 0.00 0.00 59.70 57.29 3a2m h MET 169 Cb 0.27 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 3a2m h MET 169 CO -0.01 0.94 -1.91 -0.89 1.06 0.00 0.00 176.91 176.09 3a2m n ILE 170 N -4.45 1.63 -0.06 -1.22 5.41 0.48 -0.86 119.36 120.28 3a2m n ILE 170 Ca -0.10 -0.40 -0.14 0.00 1.00 0.00 0.00 62.75 63.11 3a2m n ILE 170 Cb 0.52 -1.81 -0.13 0.00 -0.71 0.00 0.00 39.64 37.52 3a2m n ILE 170 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3a2m h LEU 171 N -0.44 0.03 0.00 1.39 3.38 -1.21 -2.82 115.31 115.65 3a2m h LEU 171 Ca -0.46 -0.92 -0.00 0.00 0.09 0.00 0.00 57.88 56.58 3a2m h LEU 171 Cb 1.72 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 3a2m h LEU 171 CO -0.11 0.95 -0.01 -0.33 0.09 0.00 0.00 178.44 179.04 3a2m h GLU 172 N -0.88 0.00 -0.00 1.13 4.39 -1.40 -3.36 114.58 114.46 3a2m h GLU 172 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3a2m h GLU 172 Cb 0.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 3a2m h GLU 172 CO 0.01 0.76 -0.27 0.00 -1.16 0.00 0.00 179.01 178.35 3a2m n ALA 173 N -2.66 3.03 -3.49 3.43 0.00 -0.40 -4.94 120.51 115.49 3a2m n ALA 173 Ca -0.08 -0.28 -0.26 0.00 0.00 0.00 0.00 53.44 52.83 3a2m n ALA 173 Cb 0.36 -1.25 0.03 0.00 0.00 0.00 0.00 19.45 18.59 3a2m n ALA 173 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a2m n ASN 174 N -1.31 -5.03 0.24 0.00 5.15 -0.95 -4.87 115.26 108.48 3a2m n ASN 174 Ca 0.08 -0.51 0.08 0.00 -0.60 0.00 0.00 54.58 53.63 3a2m n ASN 174 Cb 0.33 -4.05 0.58 0.00 -0.53 0.00 0.00 39.78 36.10 3a2m n ASN 174 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a2m h ALA 175 N 0.98 1.53 -0.32 5.20 0.00 -1.16 -1.27 119.26 124.22 3a2m h ALA 175 Ca -0.52 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 3a2m h ALA 175 Cb 1.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3a2m h ALA 175 CO 0.60 0.22 -0.07 0.35 0.00 0.00 0.00 179.25 180.34 3a2m h PHE 176 N 0.00 0.68 -0.06 0.00 3.57 -1.85 0.35 116.94 119.64 3a2m h PHE 176 Ca -0.00 -0.14 -0.19 0.00 3.53 0.00 0.00 57.97 61.16 3a2m h PHE 176 Cb 0.35 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 38.93 3a2m h PHE 176 CO 0.00 0.78 -0.72 0.28 -2.23 0.00 0.00 178.31 176.42 3a2m h VAL 177 N 0.39 1.34 0.00 1.41 2.07 -1.88 -0.77 116.25 118.80 3a2m h VAL 177 Ca 0.08 -2.03 -0.09 0.00 0.82 0.00 0.00 66.70 65.48 3a2m h VAL 177 Cb 0.56 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 3a2m h VAL 177 CO 0.03 0.62 -0.90 -0.33 0.02 0.00 0.00 177.57 177.00 3a2m h GLU 178 N 0.21 0.00 0.00 1.57 4.39 -1.25 -3.39 114.58 116.11 3a2m h GLU 178 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3a2m h GLU 178 Cb 1.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 3a2m h GLU 178 CO 0.14 0.23 -0.66 0.54 -1.16 0.00 0.00 179.01 178.11 3a2m n ARG 179 N -2.95 0.00 -0.15 2.33 1.74 0.01 -4.67 116.66 112.98 3a2m n ARG 179 Ca -0.03 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.96 3a2m n ARG 179 Cb 0.70 -0.42 -0.01 0.00 -1.02 0.00 0.00 32.46 31.71 3a2m n ARG 179 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3a2m h VAL 180 N 0.00 1.23 0.79 1.55 2.07 -1.13 -0.51 116.25 120.25 3a2m h VAL 180 Ca 0.00 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 3a2m h VAL 180 Cb 0.66 0.95 0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3a2m h VAL 180 CO 0.00 0.28 -0.38 0.25 0.02 0.00 0.00 177.57 177.74 3a2m h LEU 181 N 0.55 -0.90 -2.02 2.57 5.85 -1.32 -2.39 115.31 117.64 3a2m h LEU 181 Ca 0.13 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3a2m h LEU 181 Cb 0.32 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3a2m h LEU 181 CO 0.00 -0.60 -0.03 -0.65 -0.34 0.00 0.00 178.44 176.83 3a2m h PRO 182 N -1.15 0.00 -0.26 5.25 0.11 -1.76 -0.48 132.00 133.71 3a2m h PRO 182 Ca -0.11 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.08 3a2m h PRO 182 Cb 0.81 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 3a2m h PRO 182 CO 0.18 0.03 0.23 0.78 -0.21 0.00 0.00 178.00 179.00 3a2m h GLY 183 N 0.09 0.00 -2.68 -0.55 0.00 -0.88 -2.37 103.07 96.67 3a2m h GLY 183 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a2m h GLY 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3a2m n GLY 184 N -1.50 3.22 3.16 4.60 0.00 -0.19 -4.88 105.19 109.59 3a2m n GLY 184 Ca 0.03 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 3a2m n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a2m s ILE 185 N -2.40 1.88 -0.01 -0.61 1.01 -0.89 -1.05 121.20 119.13 3a2m s ILE 185 Ca 0.48 -0.89 -0.25 0.00 0.00 0.00 0.00 60.65 59.99 3a2m s ILE 185 Cb 0.35 -1.65 -0.19 0.00 0.01 0.00 0.00 42.46 40.98 3a2m s ILE 185 CO 0.16 0.52 1.28 0.58 0.00 0.00 0.00 174.94 177.48 3a2m h VAL 186 N 5.82 1.16 -4.21 2.92 2.07 -1.90 -3.45 116.25 118.66 3a2m h VAL 186 Ca -0.27 -0.91 -0.49 0.00 0.82 0.00 0.00 66.70 65.85 3a2m h VAL 186 Cb 1.21 1.75 0.13 0.00 -1.52 0.00 0.00 31.29 32.85 3a2m h VAL 186 CO 0.50 0.22 0.30 0.00 0.02 0.00 0.00 177.57 178.62 3a2m s ARG 187 N -4.48 1.83 -0.22 1.57 1.70 -1.26 -5.03 118.95 113.05 3a2m s ARG 187 Ca -0.15 0.76 -0.17 0.00 -0.47 0.00 0.00 55.73 55.70 3a2m s ARG 187 Cb 0.02 -1.88 -0.03 0.00 -0.57 0.00 0.00 34.95 32.49 3a2m s ARG 187 CO 0.63 -1.83 0.47 0.21 -1.08 0.00 0.00 175.30 173.70 3a2m s LYS 188 N -5.05 4.14 0.44 3.89 2.20 -1.26 -5.06 119.74 119.04 3a2m s LYS 188 Ca 0.62 0.29 -0.24 0.00 -0.36 0.00 0.00 55.97 56.27 3a2m s LYS 188 Cb -0.16 -3.59 -0.08 0.00 -1.51 0.00 0.00 37.83 32.50 3a2m s LYS 188 CO 0.55 -0.18 1.22 -0.51 -0.36 0.00 0.00 175.35 176.08 3a2m s LEU 189 N 1.74 4.09 0.70 5.43 1.43 -1.26 -5.01 118.68 125.80 3a2m s LEU 189 Ca 0.21 2.46 -0.15 0.00 -1.03 0.00 0.00 54.13 55.62 3a2m s LEU 189 Cb -0.15 -4.10 0.02 0.00 0.03 0.00 0.00 46.19 41.99 3a2m s LEU 189 CO 0.09 -0.92 1.16 -0.83 0.23 0.00 0.00 176.35 176.08 3a2m s GLY 190 N -1.09 2.24 0.26 -3.19 0.00 -1.26 -4.81 107.32 99.46 3a2m s GLY 190 Ca 0.61 0.71 -0.02 0.00 0.00 0.00 0.00 44.72 46.02 3a2m s GLY 190 CO 0.41 1.09 1.73 -0.55 0.00 0.00 0.00 173.10 175.78 3a2m h ASP 191 N -0.17 0.36 0.71 1.64 5.19 -1.99 0.25 116.42 122.41 3a2m h ASP 191 Ca -0.47 0.11 -0.05 0.00 -0.62 0.00 0.00 57.03 56.01 3a2m h ASP 191 Cb 1.27 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.85 3a2m h ASP 191 CO 0.52 0.12 -0.22 1.05 -3.12 0.00 0.00 179.24 177.58 3a2m h GLU 192 N 0.49 0.00 0.10 3.56 9.09 -2.01 -1.30 114.58 124.52 3a2m h GLU 192 Ca 0.46 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.59 3a2m h GLU 192 Cb 0.73 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.82 3a2m h GLU 192 CO -0.42 0.22 -1.31 0.93 0.05 0.00 0.00 179.01 178.48 3a2m h GLU 193 N 0.00 0.22 0.01 1.06 5.08 -1.56 -3.37 114.58 116.02 3a2m h GLU 193 Ca -0.00 -0.38 -0.21 0.00 -1.00 0.00 0.00 59.36 57.78 3a2m h GLU 193 Cb 0.63 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3a2m h GLU 193 CO 0.03 1.13 -0.91 1.98 -1.00 0.00 0.00 179.01 180.24 3a2m h MET 194 N 0.06 0.20 -0.67 2.33 4.05 -0.78 -3.39 114.93 116.74 3a2m h MET 194 Ca -0.15 -0.24 0.02 0.00 -0.28 0.00 0.00 59.70 59.05 3a2m h MET 194 Cb 1.96 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 32.79 3a2m h MET 194 CO 0.18 0.98 0.43 0.00 0.23 0.00 0.00 176.91 178.73 3a2m h ALA 195 N 0.93 0.87 0.00 0.39 0.00 -1.39 -1.48 119.26 118.57 3a2m h ALA 195 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3a2m h ALA 195 Cb 1.56 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3a2m h ALA 195 CO 0.14 0.21 0.00 -2.30 0.00 0.00 0.00 179.25 177.30 3a2m n PRO 196 N -4.66 0.04 0.11 0.00 -0.02 -1.26 -1.44 135.00 127.76 3a2m n PRO 196 Ca 0.06 0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 61.91 3a2m n PRO 196 Cb 0.06 -1.59 0.01 0.00 -0.02 0.00 0.00 33.50 31.95 3a2m n PRO 196 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3a2m h TYR 197 N 0.00 0.00 0.15 6.00 0.05 -1.49 -3.36 116.97 118.32 3a2m h TYR 197 Ca 0.00 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.46 3a2m h TYR 197 Cb 0.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.91 3a2m h TYR 197 CO 0.00 0.71 -1.58 0.00 -1.05 0.00 0.00 178.16 176.23 3a2m h ARG 198 N 0.00 0.32 0.00 4.88 3.08 -1.21 -3.40 114.38 118.04 3a2m h ARG 198 Ca -0.01 -0.55 -0.02 0.00 0.07 0.00 0.00 59.98 59.48 3a2m h ARG 198 Cb 1.48 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.73 3a2m h ARG 198 CO 0.09 1.21 -0.11 1.79 -1.07 0.00 0.00 179.97 181.88 3a2m h THR 199 N 0.09 0.90 0.00 2.04 1.35 -1.55 -0.77 112.91 114.97 3a2m h THR 199 Ca -0.27 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3a2m h THR 199 Cb 2.05 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 3a2m h THR 199 CO 0.18 0.10 0.00 -2.65 -0.25 0.00 0.00 175.52 172.90 3a2m n PRO 200 N -4.16 0.17 -3.02 4.72 -0.02 -1.26 -4.16 135.00 127.27 3a2m n PRO 200 Ca -0.03 0.54 -0.22 0.00 -2.02 0.00 0.00 63.50 61.78 3a2m n PRO 200 Cb 0.19 -1.93 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 3a2m n PRO 200 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3a2m n PHE 201 N -2.27 2.02 0.31 6.00 3.72 -0.29 -4.90 117.46 122.05 3a2m n PHE 201 Ca 0.00 -3.80 0.15 0.00 -0.05 0.00 0.00 57.45 53.76 3a2m n PHE 201 Cb 0.13 -0.43 0.56 0.00 -0.94 0.00 0.00 39.48 38.80 3a2m n PHE 201 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3a2m h PRO 202 N 2.97 0.00 -5.38 -1.08 0.13 -1.72 -3.46 132.00 123.46 3a2m h PRO 202 Ca 0.11 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.84 3a2m h PRO 202 Cb 0.78 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.75 3a2m h PRO 202 CO 0.65 0.00 -0.74 0.95 -0.23 0.00 0.00 178.00 178.63 3a2m s THR 203 N -3.50 1.40 0.22 1.56 -4.23 -1.26 -5.04 115.64 104.78 3a2m s THR 203 Ca 0.03 -1.92 -0.12 0.00 -1.18 0.00 0.00 61.69 58.50 3a2m s THR 203 Cb 0.09 -1.74 0.23 0.00 1.34 0.00 0.00 72.50 72.42 3a2m s THR 203 CO 0.54 -0.54 1.64 -0.65 -0.54 0.00 0.00 174.62 175.07 3a2m h PRO 204 N 3.11 0.05 -0.18 3.99 0.11 -1.89 -2.24 132.00 134.94 3a2m h PRO 204 Ca -0.39 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.64 3a2m h PRO 204 Cb 1.20 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3a2m h PRO 204 CO 0.56 0.03 -0.23 1.49 -0.21 0.00 0.00 178.00 179.64 3a2m h GLU 205 N 0.05 0.33 0.00 1.05 4.57 -1.96 -1.14 114.58 117.47 3a2m h GLU 205 Ca 0.33 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3a2m h GLU 205 Cb 0.52 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 3a2m h GLU 205 CO -0.62 0.55 -0.01 0.66 -1.18 0.00 0.00 179.01 178.40 3a2m h SER 206 N 0.30 0.00 -0.08 1.04 4.64 -1.79 -2.51 113.55 115.15 3a2m h SER 206 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3a2m h SER 206 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3a2m h SER 206 CO 0.04 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.55 3a2m n ARG 207 N -3.20 1.40 -0.35 4.77 1.74 -0.43 -4.36 116.66 116.23 3a2m n ARG 207 Ca -0.02 -0.59 0.08 0.00 -0.77 0.00 0.00 57.85 56.55 3a2m n ARG 207 Cb 0.15 -1.36 0.25 0.00 -1.02 0.00 0.00 32.46 30.48 3a2m n ARG 207 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a2m h ARG 208 N 1.22 0.88 0.00 5.56 3.08 -1.56 -0.61 114.38 122.95 3a2m h ARG 208 Ca 0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3a2m h ARG 208 Cb 0.27 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3a2m h ARG 208 CO 0.00 0.58 -0.25 -1.35 -1.07 0.00 0.00 179.97 177.89 3a2m h PRO 209 N 0.91 0.00 -0.18 0.04 0.11 -1.86 -0.26 132.00 130.76 3a2m h PRO 209 Ca 0.51 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.46 3a2m h PRO 209 Cb 0.59 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 3a2m h PRO 209 CO -0.30 0.25 -0.54 0.28 -0.21 0.00 0.00 178.00 177.48 3a2m h VAL 210 N 0.00 1.32 -0.03 3.15 2.07 -1.43 -2.82 116.25 118.52 3a2m h VAL 210 Ca -0.00 -1.79 -0.19 0.00 0.82 0.00 0.00 66.70 65.54 3a2m h VAL 210 Cb 0.47 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 3a2m h VAL 210 CO 0.03 0.55 -0.81 0.25 0.02 0.00 0.00 177.57 177.61 3a2m h LEU 211 N 0.40 0.36 -0.60 2.57 5.85 -1.12 -3.32 115.31 119.46 3a2m h LEU 211 Ca 0.01 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3a2m h LEU 211 Cb 1.07 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3a2m h LEU 211 CO 0.10 1.03 0.32 0.00 -0.34 0.00 0.00 178.44 179.55 3a2m h ALA 212 N 0.96 0.77 0.20 1.25 0.00 -0.93 -3.31 119.26 118.19 3a2m h ALA 212 Ca -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3a2m h ALA 212 Cb 1.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3a2m h ALA 212 CO 0.13 0.29 -0.13 0.74 0.00 0.00 0.00 179.25 180.28 3a2m h PHE 213 N 0.81 -0.34 -0.32 0.00 0.04 -1.60 -2.53 116.94 113.00 3a2m h PHE 213 Ca 0.21 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.04 3a2m h PHE 213 Cb 0.06 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3a2m h PHE 213 CO -0.01 -0.21 0.22 -1.00 -0.60 0.00 0.00 178.31 176.72 3a2m h PRO 214 N -0.33 0.17 0.00 1.51 0.13 -1.73 0.25 132.00 132.01 3a2m h PRO 214 Ca -0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3a2m h PRO 214 Cb 0.28 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.37 3a2m h PRO 214 CO 0.01 0.12 0.00 0.54 -0.23 0.00 0.00 178.00 178.44 3a2m n ARG 215 N -4.48 0.09 0.02 0.86 1.74 -1.02 -2.47 116.66 111.40 3a2m n ARG 215 Ca 0.04 0.28 0.11 0.00 -0.77 0.00 0.00 57.85 57.51 3a2m n ARG 215 Cb 0.27 -1.65 0.04 0.00 -1.02 0.00 0.00 32.46 30.10 3a2m n ARG 215 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3a2m n GLU 216 N -1.82 0.19 -1.72 5.56 -0.58 0.06 -4.40 120.64 117.92 3a2m n GLU 216 Ca 0.04 -0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.35 3a2m n GLU 216 Cb 0.23 -1.56 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 3a2m n GLU 216 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3a2m n LEU 217 N -1.80 4.01 -4.56 -4.62 4.77 -1.03 -4.53 117.00 109.24 3a2m n LEU 217 Ca 0.03 1.15 -0.40 0.00 -0.03 0.00 0.00 56.01 56.75 3a2m n LEU 217 Cb 0.40 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 39.91 3a2m n LEU 217 CO 0.40 -0.03 1.52 -2.16 -1.33 0.00 0.00 177.39 175.79 3a2m s PRO 218 N -0.51 3.56 -0.10 3.23 0.04 -1.26 -4.15 135.00 135.81 3a2m s PRO 218 Ca 0.65 -1.16 0.01 0.00 0.04 0.00 0.00 61.00 60.53 3a2m s PRO 218 Cb -0.54 -5.36 0.02 0.00 0.04 0.00 0.00 34.50 28.66 3a2m s PRO 218 CO 0.49 -2.30 -0.09 0.42 0.04 0.00 0.00 177.00 175.56 3a2m s ILE 219 N 5.25 1.07 -1.47 0.56 1.01 -1.07 -0.76 121.20 125.78 3a2m s ILE 219 Ca 0.48 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 3a2m s ILE 219 Cb 0.00 -1.05 0.08 0.00 0.01 0.00 0.00 42.46 41.51 3a2m s ILE 219 CO -0.07 0.36 0.74 0.00 0.00 0.00 0.00 174.94 175.97 3a2m n ALA 220 N 4.53 -1.16 -0.85 9.38 0.00 0.74 -2.09 120.51 131.05 3a2m n ALA 220 Ca -0.17 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3a2m n ALA 220 Cb 0.51 -3.68 0.00 0.00 0.00 0.00 0.00 19.45 16.27 3a2m n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a2m n GLY 221 N -1.44 0.78 3.09 0.00 0.00 -1.26 -5.02 105.19 101.33 3a2m n GLY 221 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3a2m n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a2m s GLU 222 N -0.15 1.84 0.46 1.61 2.56 -0.89 -2.64 118.70 121.49 3a2m s GLU 222 Ca 0.00 -0.54 -0.22 0.00 0.00 0.00 0.00 54.97 54.21 3a2m s GLU 222 Cb 0.00 -1.53 -0.08 0.00 2.00 0.00 0.00 34.13 34.52 3a2m s GLU 222 CO 0.00 0.14 1.12 -1.25 -0.56 0.00 0.00 175.26 174.71 3a2m s PRO 223 N 0.34 3.80 0.17 4.30 0.04 -1.26 -2.61 135.00 139.78 3a2m s PRO 223 Ca -0.10 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 3a2m s PRO 223 Cb -0.14 -2.35 0.07 0.00 0.04 0.00 0.00 34.50 32.12 3a2m s PRO 223 CO 0.03 -0.49 1.67 0.00 0.04 0.00 0.00 177.00 178.26 3a2m h ALA 224 N 1.98 0.79 -0.38 8.56 0.00 -1.93 -0.94 119.26 127.34 3a2m h ALA 224 Ca -0.49 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 3a2m h ALA 224 Cb 1.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3a2m h ALA 224 CO 0.60 0.53 0.16 0.38 0.00 0.00 0.00 179.25 180.92 3a2m h ASP 225 N 0.89 0.52 -0.43 0.00 3.04 -1.99 -0.87 116.42 117.58 3a2m h ASP 225 Ca 0.18 -0.16 -0.06 0.00 -3.24 0.00 0.00 57.03 53.75 3a2m h ASP 225 Cb 0.40 -0.14 -0.02 0.00 -1.04 0.00 0.00 39.33 38.53 3a2m h ASP 225 CO 0.01 0.54 0.02 0.58 -2.04 0.00 0.00 179.24 178.34 3a2m h VAL 226 N 0.47 1.26 -0.29 4.15 2.07 -1.88 -0.77 116.25 121.26 3a2m h VAL 226 Ca 0.13 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.69 3a2m h VAL 226 Cb 0.18 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3a2m h VAL 226 CO -0.01 0.34 0.04 0.22 0.02 0.00 0.00 177.57 178.18 3a2m h TYR 227 N 0.59 0.07 0.19 1.57 3.20 -1.00 0.12 116.97 121.70 3a2m h TYR 227 Ca 0.12 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3a2m h TYR 227 Cb 0.46 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.75 3a2m h TYR 227 CO 0.04 0.00 -0.09 1.49 -1.64 0.00 0.00 178.16 177.96 3a2m h GLU 228 N 0.14 -0.25 -0.75 1.82 4.81 -1.10 -0.21 114.58 119.04 3a2m h GLU 228 Ca 0.14 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.47 3a2m h GLU 228 Cb 0.15 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.52 3a2m h GLU 228 CO -0.19 -0.16 0.41 0.00 -0.73 0.00 0.00 179.01 178.34 3a2m h ALA 229 N 0.55 1.05 0.00 2.92 0.00 -0.75 -1.16 119.26 121.87 3a2m h ALA 229 Ca -0.03 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3a2m h ALA 229 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3a2m h ALA 229 CO 0.04 0.03 -0.64 -0.07 0.00 0.00 0.00 179.25 178.62 3a2m h LEU 230 N 0.70 0.00 -0.21 0.00 3.38 -0.66 0.93 115.31 119.45 3a2m h LEU 230 Ca 0.36 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.34 3a2m h LEU 230 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3a2m h LEU 230 CO -0.24 0.64 0.13 1.56 0.09 0.00 0.00 178.44 180.62 3a2m h GLN 231 N 0.00 0.25 -0.49 1.13 4.20 -0.60 0.06 115.11 119.66 3a2m h GLN 231 Ca -0.01 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 3a2m h GLN 231 Cb 1.41 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.11 3a2m h GLN 231 CO 0.08 0.17 0.14 1.03 -0.67 0.00 0.00 178.83 179.58 3a2m h SER 232 N 0.26 0.73 -0.46 1.46 0.87 -1.07 -1.09 113.55 114.25 3a2m h SER 232 Ca 0.08 -0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.36 3a2m h SER 232 Cb -0.02 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 3a2m h SER 232 CO -0.03 0.75 0.08 0.00 -0.53 0.00 0.00 176.83 177.10 3a2m h ALA 233 N 1.00 1.16 -0.03 6.23 0.00 -0.73 -2.05 119.26 124.84 3a2m h ALA 233 Ca 0.16 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3a2m h ALA 233 Cb 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3a2m h ALA 233 CO -0.00 0.56 -0.55 0.45 0.00 0.00 0.00 179.25 179.70 3a2m h HIS 234 N 0.78 0.10 -0.44 0.00 -0.00 -0.68 -1.11 115.15 113.81 3a2m h HIS 234 Ca 0.16 -0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.47 3a2m h HIS 234 Cb 0.36 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.73 3a2m h HIS 234 CO 0.02 0.62 0.15 0.00 -0.00 0.00 0.00 177.93 178.72 3a2m h ALA 235 N 1.37 0.57 -0.50 2.45 0.00 -0.76 -1.61 119.26 120.79 3a2m h ALA 235 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3a2m h ALA 235 Cb 1.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3a2m h ALA 235 CO 0.08 0.20 0.16 0.00 0.00 0.00 0.00 179.25 179.68 3a2m h ALA 236 N 1.00 0.65 -0.47 0.00 0.00 -1.21 -2.27 119.26 116.96 3a2m h ALA 236 Ca 0.14 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3a2m h ALA 236 Cb 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3a2m h ALA 236 CO -0.01 0.31 0.27 1.25 0.00 0.00 0.00 179.25 181.07 3a2m h LEU 237 N 0.67 0.44 -1.68 0.00 5.85 -1.06 0.50 115.31 120.03 3a2m h LEU 237 Ca 0.16 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3a2m h LEU 237 Cb 0.27 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3a2m h LEU 237 CO -0.01 0.31 0.26 0.00 -0.34 0.00 0.00 178.44 178.66 3a2m h ALA 238 N 1.22 1.84 0.00 1.25 0.00 -0.97 -2.58 119.26 120.02 3a2m h ALA 238 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3a2m h ALA 238 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3a2m h ALA 238 CO -0.10 0.12 -0.84 0.00 0.00 0.00 0.00 179.25 178.43 3a2m n ALA 239 N -2.50 3.70 -1.75 0.00 0.00 -0.87 -4.48 120.51 114.61 3a2m n ALA 239 Ca 0.04 -0.42 -0.36 0.00 0.00 0.00 0.00 53.44 52.69 3a2m n ALA 239 Cb 0.14 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 18.64 3a2m n ALA 239 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3a2m s SER 240 N -3.46 5.28 0.00 0.00 1.04 0.11 -4.97 113.70 111.70 3a2m s SER 240 Ca 0.07 2.44 0.12 0.00 0.48 0.00 0.00 55.95 59.06 3a2m s SER 240 Cb 0.16 -2.60 -0.11 0.00 0.10 0.00 0.00 66.02 63.57 3a2m s SER 240 CO 0.78 -1.54 0.54 -1.54 0.98 0.00 0.00 173.24 172.46 3a2m n SER 241 N -1.41 0.70 -4.76 7.02 3.41 -1.26 -4.37 113.62 112.95 3a2m n SER 241 Ca 0.13 -0.85 -0.34 0.00 -0.26 0.00 0.00 58.87 57.54 3a2m n SER 241 Cb 0.49 0.90 0.04 0.00 -0.26 0.00 0.00 64.21 65.38 3a2m n SER 241 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3a2m s TYR 242 N -2.01 2.50 0.42 7.33 -0.85 -1.26 -4.85 117.35 118.63 3a2m s TYR 242 Ca 0.06 1.55 -0.26 0.00 -0.52 0.00 0.00 57.07 57.90 3a2m s TYR 242 Cb 0.09 -3.31 -0.09 0.00 0.38 0.00 0.00 41.96 39.04 3a2m s TYR 242 CO 0.45 -1.90 1.36 -2.14 -1.52 0.00 0.00 175.55 171.80 3a2m s PRO 243 N -3.70 3.85 0.06 -3.49 0.02 -1.26 -4.77 135.00 125.71 3a2m s PRO 243 Ca 0.72 2.28 0.04 0.00 0.02 0.00 0.00 61.00 64.05 3a2m s PRO 243 Cb -0.25 -2.72 -0.03 0.00 0.02 0.00 0.00 34.50 31.53 3a2m s PRO 243 CO 0.36 -0.63 -0.11 0.15 -0.33 0.00 0.00 177.00 176.45 3a2m s LYS 244 N -2.32 0.67 -0.15 5.54 1.02 0.63 -1.27 119.74 123.86 3a2m s LYS 244 Ca 0.58 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.70 3a2m s LYS 244 Cb -0.41 -0.56 0.05 0.00 -0.52 0.00 0.00 37.83 36.39 3a2m s LYS 244 CO 0.52 0.12 0.01 -1.17 -0.92 0.00 0.00 175.35 173.91 3a2m s LEU 245 N -1.65 1.09 -0.22 3.17 2.96 -0.03 -1.50 118.68 122.50 3a2m s LEU 245 Ca -0.06 -0.56 -0.07 0.00 -0.22 0.00 0.00 54.13 53.22 3a2m s LEU 245 Cb -0.10 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 3a2m s LEU 245 CO 0.01 -0.24 0.07 -0.22 -1.32 0.00 0.00 176.35 174.65 3a2m s LEU 246 N 1.84 3.59 0.03 -0.68 2.96 -0.00 -0.60 118.68 125.82 3a2m s LEU 246 Ca 0.01 -0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3a2m s LEU 246 Cb -0.15 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 3a2m s LEU 246 CO -0.07 0.04 0.26 -0.36 -1.32 0.00 0.00 176.35 174.90 3a2m s PHE 247 N 1.15 3.55 0.01 5.38 0.08 -0.19 -0.44 117.98 127.53 3a2m s PHE 247 Ca 0.04 0.49 0.02 0.00 0.12 0.00 0.00 56.93 57.61 3a2m s PHE 247 Cb -0.14 -1.93 -0.01 0.00 -0.57 0.00 0.00 43.02 40.36 3a2m s PHE 247 CO 0.03 0.59 -0.06 -0.08 -0.10 0.00 0.00 175.22 175.60 3a2m s THR 248 N -1.37 0.48 0.42 0.64 -1.32 -0.56 -4.39 115.64 109.54 3a2m s THR 248 Ca 0.30 -0.48 0.08 0.00 -1.21 0.00 0.00 61.69 60.38 3a2m s THR 248 Cb -0.13 -0.45 -0.02 0.00 -1.51 0.00 0.00 72.50 70.39 3a2m s THR 248 CO 0.19 -0.01 0.37 -0.83 -2.21 0.00 0.00 174.62 172.13 3a2m s GLY 249 N -0.53 2.16 -0.22 6.08 0.00 -1.26 -0.42 107.32 113.12 3a2m s GLY 249 Ca -0.01 -1.88 0.01 0.00 0.00 0.00 0.00 44.72 42.84 3a2m s GLY 249 CO -0.00 -1.72 -0.15 -0.54 0.00 0.00 0.00 173.10 170.69 3a2m s GLU 250 N -4.13 2.67 0.00 2.90 2.02 0.26 -2.58 118.70 119.85 3a2m s GLU 250 Ca 0.47 -1.05 0.29 0.00 0.02 0.00 0.00 54.97 54.70 3a2m s GLU 250 Cb -0.03 -2.75 1.24 0.00 0.10 0.00 0.00 34.13 32.69 3a2m s GLU 250 CO 0.27 -0.38 1.86 -0.35 0.02 0.00 0.00 175.26 176.69 3a2m n PRO 251 N 4.55 0.97 0.00 0.39 -0.04 -1.09 -1.34 135.00 138.44 3a2m n PRO 251 Ca -0.18 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 3a2m n PRO 251 Cb 0.46 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3a2m n PRO 251 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3a2m n GLY 252 N 1.22 -0.10 1.59 0.55 0.00 -0.25 -4.26 105.19 103.95 3a2m n GLY 252 Ca 0.17 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3a2m n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a2m n ALA 253 N 2.60 2.02 0.23 4.61 0.00 -1.25 -4.56 120.51 124.17 3a2m n ALA 253 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3a2m n ALA 253 Cb 0.00 0.00 0.42 0.00 0.00 0.00 0.00 19.45 19.87 3a2m n ALA 253 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3a2m h LEU 254 N 0.00 0.00 -7.36 0.00 3.38 -1.91 -3.38 115.31 106.04 3a2m h LEU 254 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3a2m h LEU 254 Cb 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.36 3a2m h LEU 254 CO 0.00 0.11 -0.77 -0.69 0.09 0.00 0.00 178.44 177.18 3a2m s VAL 255 N -3.47 0.62 0.50 1.22 1.01 -1.26 -4.69 120.40 114.33 3a2m s VAL 255 Ca 0.03 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 3a2m s VAL 255 Cb 0.08 -1.03 -0.07 0.00 0.00 0.00 0.00 36.38 35.36 3a2m s VAL 255 CO 0.62 -0.10 0.95 -0.94 0.00 0.00 0.00 175.10 175.64 3a2m s SER 256 N 1.83 6.59 0.26 3.32 1.04 -1.26 -4.44 113.70 121.03 3a2m s SER 256 Ca -0.00 1.49 -0.03 0.00 0.48 0.00 0.00 55.95 57.90 3a2m s SER 256 Cb -0.16 -2.48 0.45 0.00 0.10 0.00 0.00 66.02 63.93 3a2m s SER 256 CO -0.07 -0.57 1.82 -0.65 0.98 0.00 0.00 173.24 174.75 3a2m h PRO 257 N 0.91 0.84 -0.39 4.02 0.11 -1.77 0.22 132.00 135.95 3a2m h PRO 257 Ca -0.47 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 3a2m h PRO 257 Cb 1.19 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3a2m h PRO 257 CO 0.62 0.56 -0.23 0.93 -0.21 0.00 0.00 178.00 179.66 3a2m h GLU 258 N 0.87 0.85 -0.66 1.05 3.07 -1.96 -1.84 114.58 115.97 3a2m h GLU 258 Ca 0.43 -0.39 -0.05 0.00 -0.50 0.00 0.00 59.36 58.85 3a2m h GLU 258 Cb 0.39 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 3a2m h GLU 258 CO -0.25 1.03 0.21 0.35 -1.40 0.00 0.00 179.01 178.95 3a2m h PHE 259 N 0.66 1.06 -0.96 4.33 3.57 -1.79 -2.91 116.94 120.90 3a2m h PHE 259 Ca 0.08 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.49 3a2m h PHE 259 Cb 0.80 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 3a2m h PHE 259 CO 0.06 0.86 0.64 0.00 -2.23 0.00 0.00 178.31 177.63 3a2m h ALA 260 N 1.09 1.22 -0.21 2.41 0.00 -0.21 -0.26 119.26 123.31 3a2m h ALA 260 Ca 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3a2m h ALA 260 Cb 0.29 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a2m h ALA 260 CO -0.01 0.60 0.03 1.49 0.00 0.00 0.00 179.25 181.36 3a2m h GLU 261 N 1.29 0.35 -0.41 0.00 4.81 -1.20 -0.14 114.58 119.28 3a2m h GLU 261 Ca 0.36 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.41 3a2m h GLU 261 Cb -0.13 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3a2m h GLU 261 CO -0.08 0.51 -0.06 0.00 -0.73 0.00 0.00 179.01 178.65 3a2m h ARG 262 N 0.14 0.77 0.25 1.92 3.08 -1.33 -2.52 114.38 116.69 3a2m h ARG 262 Ca 0.06 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3a2m h ARG 262 Cb 0.34 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3a2m h ARG 262 CO 0.01 0.88 -0.24 0.35 -1.07 0.00 0.00 179.97 179.90 3a2m h PHE 263 N 0.60 -0.63 -0.55 3.04 3.57 -0.97 -2.04 116.94 119.96 3a2m h PHE 263 Ca 0.11 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.64 3a2m h PHE 263 Cb 0.58 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 3a2m h PHE 263 CO 0.05 -0.35 0.33 0.00 -2.23 0.00 0.00 178.31 176.11 3a2m h ALA 264 N 0.16 0.71 0.00 2.41 0.00 -1.02 -1.68 119.26 119.83 3a2m h ALA 264 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3a2m h ALA 264 Cb 0.47 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3a2m h ALA 264 CO -0.05 0.05 -0.05 0.00 0.00 0.00 0.00 179.25 179.20 3a2m h ALA 265 N 1.24 1.70 0.00 0.00 0.00 -1.41 -2.23 119.26 118.56 3a2m h ALA 265 Ca 0.22 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3a2m h ALA 265 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3a2m h ALA 265 CO -0.10 0.07 -0.28 0.66 0.00 0.00 0.00 179.25 179.60 3a2m h SER 266 N 0.00 0.00 -3.99 0.00 4.64 -0.55 -3.46 113.55 110.20 3a2m h SER 266 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3a2m h SER 266 Cb 0.11 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.27 3a2m h SER 266 CO 0.01 0.28 0.27 -0.76 -0.87 0.00 0.00 176.83 175.76 3a2m s LEU 267 N -6.50 3.06 -0.06 5.97 1.43 -0.84 -5.01 118.68 116.74 3a2m s LEU 267 Ca 0.03 0.85 -0.19 0.00 -1.03 0.00 0.00 54.13 53.79 3a2m s LEU 267 Cb 0.08 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 3a2m s LEU 267 CO 0.68 -1.23 0.52 -0.89 0.23 0.00 0.00 176.35 175.66 3a2m s THR 268 N -3.16 5.07 -1.39 5.49 2.01 -1.26 -4.49 115.64 117.90 3a2m s THR 268 Ca 0.56 1.06 -0.07 0.00 0.31 0.00 0.00 61.69 63.55 3a2m s THR 268 Cb -0.11 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.59 3a2m s THR 268 CO 0.48 0.39 0.94 0.54 -0.69 0.00 0.00 174.62 176.27 3a2m n ARG 269 N 3.11 -5.95 -3.99 4.92 1.74 -1.26 -4.68 116.66 110.54 3a2m n ARG 269 Ca -0.08 0.68 -0.34 0.00 -0.77 0.00 0.00 57.85 57.34 3a2m n ARG 269 Cb 0.51 -5.52 -0.15 0.00 -1.02 0.00 0.00 32.46 26.29 3a2m n ARG 269 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a2m s ALA 271 N 1.39 3.81 -0.14 0.00 0.00 -0.56 -4.77 121.76 121.50 3a2m s ALA 271 Ca 0.05 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 3a2m s ALA 271 Cb -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 3a2m s ALA 271 CO -0.06 0.67 -0.13 -1.17 0.00 0.00 0.00 175.76 175.07 3a2m s LEU 272 N -2.40 2.65 -0.21 0.00 2.96 -1.26 -0.82 118.68 119.60 3a2m s LEU 272 Ca 0.37 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 3a2m s LEU 272 Cb -0.13 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.98 3a2m s LEU 272 CO 0.23 0.14 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.64 3a2m s ILE 273 N 0.51 2.50 -0.22 6.68 -1.09 0.42 -4.98 121.20 125.02 3a2m s ILE 273 Ca -0.09 -0.95 -0.18 0.00 -2.23 0.00 0.00 60.65 57.20 3a2m s ILE 273 Cb -0.16 -2.17 -0.03 0.00 -1.58 0.00 0.00 42.46 38.52 3a2m s ILE 273 CO 0.04 0.38 0.48 -0.13 -1.23 0.00 0.00 174.94 174.48 3a2m s ARG 274 N 1.31 4.15 0.04 2.79 0.52 -1.26 -1.49 118.95 125.00 3a2m s ARG 274 Ca 0.03 0.32 0.22 0.00 -0.52 0.00 0.00 55.73 55.78 3a2m s ARG 274 Cb -0.15 -3.58 -0.16 0.00 0.52 0.00 0.00 34.95 31.58 3a2m s ARG 274 CO -0.08 -0.18 0.78 1.28 0.02 0.00 0.00 175.30 177.12 3a2m n LEU 275 N 4.92 0.43 0.00 2.53 4.77 0.44 -4.96 117.00 125.14 3a2m n LEU 275 Ca -0.06 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3a2m n LEU 275 Cb 0.50 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3a2m n LEU 275 CO 0.41 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3a2m n GLY 276 N 1.30 -0.65 3.68 -0.72 0.00 -1.26 -4.95 105.19 102.59 3a2m n GLY 276 Ca -0.01 -1.58 -0.46 0.00 0.00 0.00 0.00 46.02 43.97 3a2m n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a2m n ALA 277 N 1.74 1.27 -3.57 4.61 0.00 -1.26 -0.58 120.51 122.72 3a2m n ALA 277 Ca 0.00 0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.69 3a2m n ALA 277 Cb 0.00 -2.52 -0.02 0.00 0.00 0.00 0.00 19.45 16.91 3a2m n ALA 277 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3a2m s GLY 278 N 3.45 -0.36 0.00 0.00 0.00 -0.45 -4.74 107.32 105.21 3a2m s GLY 278 Ca 0.88 1.20 0.00 0.00 0.00 0.00 0.00 44.72 46.80 3a2m s GLY 278 CO 0.46 0.39 0.00 1.04 0.00 0.00 0.00 173.10 174.98 3a2m n LEU 279 N -0.21 0.00 -0.02 0.66 4.77 -1.26 -1.09 117.00 119.85 3a2m n LEU 279 Ca -0.04 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 3a2m n LEU 279 Cb 0.60 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.56 3a2m n LEU 279 CO 0.10 0.00 -0.62 -0.74 -1.33 0.00 0.00 177.39 174.80 3a2m h HIS 280 N 0.00 0.34 -1.39 -1.77 6.17 -1.71 -3.32 115.15 113.46 3a2m h HIS 280 Ca 0.00 -0.25 -0.76 0.00 0.71 0.00 0.00 60.37 60.08 3a2m h HIS 280 Cb 0.00 -0.01 -0.15 0.00 2.52 0.00 0.00 27.41 29.77 3a2m h HIS 280 CO 0.00 1.64 2.09 0.66 0.71 0.00 0.00 177.93 183.03 3a2m n TYR 281 N -3.88 2.76 0.23 5.26 4.01 -0.21 -4.83 117.16 120.50 3a2m n TYR 281 Ca -0.30 -2.78 0.08 0.00 -0.16 0.00 0.00 57.90 54.74 3a2m n TYR 281 Cb 0.90 -1.86 0.62 0.00 -0.31 0.00 0.00 39.34 38.69 3a2m n TYR 281 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3a2m h LEU 282 N 6.90 0.05 -1.30 7.72 3.38 -1.81 -2.46 115.31 127.79 3a2m h LEU 282 Ca 0.49 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.56 3a2m h LEU 282 Cb 0.51 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3a2m h LEU 282 CO 1.56 0.03 0.54 1.56 0.09 0.00 0.00 178.44 182.22 3a2m h GLN 283 N 0.05 0.74 0.00 1.13 7.50 -1.89 -0.07 115.11 122.58 3a2m h GLN 283 Ca 0.02 -0.04 -0.10 0.00 0.50 0.00 0.00 58.65 59.02 3a2m h GLN 283 Cb 0.03 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.38 3a2m h GLN 283 CO -0.00 0.49 -0.50 0.93 -1.50 0.00 0.00 178.83 178.25 3a2m h GLU 284 N 0.77 0.00 0.00 1.46 4.39 -1.73 -1.78 114.58 117.69 3a2m h GLU 284 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 3a2m h GLU 284 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3a2m h GLU 284 CO -0.16 0.50 -1.39 -0.25 -1.16 0.00 0.00 179.01 176.55 3a2m n ASP 285 N -3.63 0.49 -1.82 1.42 8.00 -0.92 -4.65 116.55 115.44 3a2m n ASP 285 Ca -0.01 0.12 0.02 0.00 0.71 0.00 0.00 54.79 55.64 3a2m n ASP 285 Cb 0.57 1.09 0.04 0.00 -0.02 0.00 0.00 41.12 42.80 3a2m n ASP 285 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3a2m n HIS 286 N -2.42 0.39 -0.18 1.24 8.25 -0.08 -4.92 115.22 117.50 3a2m n HIS 286 Ca -0.01 -1.02 -0.02 0.00 -0.26 0.00 0.00 57.72 56.40 3a2m n HIS 286 Cb 0.54 -0.18 0.08 0.00 1.12 0.00 0.00 29.99 31.55 3a2m n HIS 286 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a2m h ALA 287 N 1.45 0.69 -0.24 -1.41 0.00 -1.52 -0.39 119.26 117.83 3a2m h ALA 287 Ca -0.18 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3a2m h ALA 287 Cb 1.68 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 3a2m h ALA 287 CO 0.13 -0.17 0.04 -0.44 0.00 0.00 0.00 179.25 178.81 3a2m h ASP 288 N 0.42 0.38 -0.57 0.00 3.32 -1.87 0.04 116.42 118.14 3a2m h ASP 288 Ca 0.26 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a2m h ASP 288 Cb 0.26 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3a2m h ASP 288 CO -0.24 0.54 0.35 0.00 -1.72 0.00 0.00 179.24 178.17 3a2m h ALA 289 N 0.85 0.73 -0.11 3.45 0.00 -1.87 -0.73 119.26 121.58 3a2m h ALA 289 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3a2m h ALA 289 Cb 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3a2m h ALA 289 CO 0.00 0.20 0.00 0.82 0.00 0.00 0.00 179.25 180.27 3a2m h ILE 290 N 0.77 1.25 -0.32 0.00 2.04 -0.94 -1.85 117.51 118.46 3a2m h ILE 290 Ca 0.21 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 3a2m h ILE 290 Cb -0.04 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3a2m h ILE 290 CO -0.04 0.23 0.19 1.23 0.00 0.00 0.00 178.15 179.76 3a2m h GLY 291 N -0.08 0.47 0.99 5.37 0.00 -0.85 -0.64 103.07 108.32 3a2m h GLY 291 Ca 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 3a2m h GLY 291 CO 0.01 0.19 0.23 3.21 0.00 0.00 0.00 176.54 180.18 3a2m h ARG 292 N 0.41 0.85 0.03 4.80 2.47 -1.17 -1.14 114.38 120.63 3a2m h ARG 292 Ca 0.12 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3a2m h ARG 292 Cb 0.02 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.20 3a2m h ARG 292 CO -0.02 0.74 -0.02 0.77 0.56 0.00 0.00 179.97 182.00 3a2m h SER 293 N 0.79 -0.04 -0.43 7.04 0.02 -1.05 -1.53 113.55 118.34 3a2m h SER 293 Ca 0.19 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3a2m h SER 293 Cb 0.20 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3a2m h SER 293 CO -0.02 -0.03 0.20 0.58 -1.14 0.00 0.00 176.83 176.43 3a2m h VAL 294 N -0.04 1.18 -0.30 2.27 2.07 -1.03 -1.62 116.25 118.77 3a2m h VAL 294 Ca -0.00 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3a2m h VAL 294 Cb 0.04 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3a2m h VAL 294 CO 0.00 0.20 0.18 0.00 0.02 0.00 0.00 177.57 177.97 3a2m h ALA 295 N 1.05 0.38 -0.54 1.67 0.00 -1.13 -1.27 119.26 119.42 3a2m h ALA 295 Ca 0.15 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3a2m h ALA 295 Cb 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3a2m h ALA 295 CO -0.02 -0.11 0.33 0.78 0.00 0.00 0.00 179.25 180.23 3a2m h GLY 296 N 0.38 0.77 0.96 0.00 0.00 -1.13 -1.93 103.07 102.12 3a2m h GLY 296 Ca 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 3a2m h GLY 296 CO -0.02 0.20 -0.00 -0.25 0.00 0.00 0.00 176.54 176.47 3a2m h TRP 297 N 0.64 -0.01 -0.71 5.60 7.01 -1.11 -0.77 115.95 126.61 3a2m h TRP 297 Ca 0.22 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.23 3a2m h TRP 297 Cb 0.03 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.06 3a2m h TRP 297 CO -0.06 0.04 0.46 0.82 -2.79 0.00 0.00 178.44 176.91 3a2m h ILE 298 N -0.06 1.16 -0.82 2.65 2.04 -1.18 -1.24 117.51 120.06 3a2m h ILE 298 Ca -0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3a2m h ILE 298 Cb 0.05 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 3a2m h ILE 298 CO 0.00 0.17 0.52 0.00 0.00 0.00 0.00 178.15 178.84 3a2m h ALA 299 N 1.27 1.04 -0.10 1.87 0.00 -1.07 -0.60 119.26 121.66 3a2m h ALA 299 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3a2m h ALA 299 Cb -0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 3a2m h ALA 299 CO -0.07 0.47 0.02 0.78 0.00 0.00 0.00 179.25 180.45 3a2m h GLY 300 N 1.11 0.18 0.93 0.00 0.00 -0.81 -2.09 103.07 102.39 3a2m h GLY 300 Ca 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3a2m h GLY 300 CO -0.06 0.11 0.09 -2.22 0.00 0.00 0.00 176.54 174.47 3a2m h ILE 301 N -0.05 1.12 0.00 2.60 2.04 -1.02 -2.66 117.51 119.54 3a2m h ILE 301 Ca 0.03 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3a2m h ILE 301 Cb 0.28 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3a2m h ILE 301 CO 0.00 0.11 0.00 -0.33 0.00 0.00 0.00 178.15 177.93 3a2m h GLU 302 N 0.18 0.00 0.00 2.37 4.39 -1.10 0.69 114.58 121.11 3a2m h GLU 302 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3a2m h GLU 302 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3a2m h GLU 302 CO -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.84 3a2m h ALA 303 N 2.16 1.00 0.00 3.43 0.00 -1.00 -3.35 119.26 121.50 3a2m h ALA 303 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3a2m h ALA 303 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3a2m h ALA 303 CO 0.00 0.00 -1.27 0.28 0.00 0.00 0.00 179.25 178.26 3a2m n VAL 304 N -2.86 0.26 -0.19 0.00 0.31 -0.70 -5.10 118.33 110.05 3a2m n VAL 304 Ca 0.03 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3a2m n VAL 304 Cb 0.42 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 3a2m n VAL 304 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37