#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a2m s ILE 9 N 0.00 3.97 0.47 -3.67 1.10 -1.26 -0.87 121.20 120.95 3a2m s ILE 9 Ca 0.00 -1.18 0.05 0.00 -0.51 0.00 0.00 60.65 59.01 3a2m s ILE 9 Cb 0.00 -3.30 -0.02 0.00 0.15 0.00 0.00 42.46 39.29 3a2m s ILE 9 CO 0.00 -0.27 0.14 -0.13 -2.11 0.00 0.00 174.94 172.57 3a2m s ARG 10 N 1.42 2.18 -0.03 3.50 0.52 0.12 -4.91 118.95 121.75 3a2m s ARG 10 Ca 0.00 -2.11 0.02 0.00 -0.52 0.00 0.00 55.73 53.12 3a2m s ARG 10 Cb -0.20 -1.80 0.01 0.00 0.52 0.00 0.00 34.95 33.47 3a2m s ARG 10 CO 0.03 -0.30 -0.09 0.50 0.02 0.00 0.00 175.30 175.47 3a2m s ARG 11 N -3.95 1.03 -0.06 3.54 3.52 -1.26 -0.66 118.95 121.12 3a2m s ARG 11 Ca 0.27 -0.28 0.05 0.00 -0.13 0.00 0.00 55.73 55.63 3a2m s ARG 11 Cb 0.03 -0.95 -0.02 0.00 -1.56 0.00 0.00 34.95 32.45 3a2m s ARG 11 CO 0.15 0.07 -0.20 0.00 -0.81 0.00 0.00 175.30 174.51 3a2m s ALA 12 N 0.37 2.38 0.10 6.12 0.00 0.24 -4.96 121.76 126.02 3a2m s ALA 12 Ca -0.06 -1.02 -0.31 0.00 0.00 0.00 0.00 51.96 50.58 3a2m s ALA 12 Cb -0.10 -0.82 -0.07 0.00 0.00 0.00 0.00 23.12 22.13 3a2m s ALA 12 CO 0.01 0.46 1.24 -1.25 0.00 0.00 0.00 175.76 176.22 3a2m s PRO 13 N -0.36 4.42 -0.12 0.00 0.04 -1.26 -0.89 135.00 136.83 3a2m s PRO 13 Ca 0.03 1.87 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 3a2m s PRO 13 Cb -0.12 -3.30 0.05 0.00 0.04 0.00 0.00 34.50 31.17 3a2m s PRO 13 CO 0.02 -0.26 0.12 0.08 0.04 0.00 0.00 177.00 177.00 3a2m s VAL 14 N 0.80 -0.17 -1.29 -0.36 1.01 -0.31 -4.89 120.40 115.18 3a2m s VAL 14 Ca 0.59 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 3a2m s VAL 14 Cb -0.32 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 35.68 3a2m s VAL 14 CO 0.31 -0.04 0.29 0.18 0.00 0.00 0.00 175.10 175.84 3a2m n LEU 15 N 5.30 -1.65 0.00 3.92 4.77 -1.26 -0.37 117.00 127.71 3a2m n LEU 15 Ca -0.05 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3a2m n LEU 15 Cb 0.50 -2.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.22 3a2m n LEU 15 CO 0.07 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 3a2m n GLY 16 N -1.09 0.78 0.00 -0.72 0.00 -1.26 -5.00 105.19 97.90 3a2m n GLY 16 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.27 -3.74 1.61 2.88 0.50 -5.12 113.62 110.02 3a2m n SER 17 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 3a2m n SER 17 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 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 1.00 -0.18 -0.08 -3.46 1.04 -1.25 -1.16 113.70 109.61 3a2m s SER 18 Ca 0.00 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.38 3a2m s SER 18 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3a2m s SER 18 CO 0.00 -0.59 -0.18 -0.04 0.98 0.00 0.00 173.24 173.41 3a2m s MET 19 N -2.25 2.29 0.49 4.02 -1.94 -0.07 -0.71 119.30 121.14 3a2m s MET 19 Ca -0.07 -0.65 -0.14 0.00 -1.71 0.00 0.00 55.69 53.11 3a2m s MET 19 Cb -0.02 -1.82 -0.07 0.00 2.01 0.00 0.00 34.83 34.93 3a2m s MET 19 CO -0.01 0.14 0.93 0.00 -0.01 0.00 0.00 175.02 176.06 3a2m s ALA 20 N 0.40 3.15 0.03 3.03 0.00 -1.26 -0.59 121.76 126.52 3a2m s ALA 20 Ca -0.14 0.05 -0.25 0.00 0.00 0.00 0.00 51.96 51.62 3a2m s ALA 20 Cb -0.16 -3.00 0.06 0.00 0.00 0.00 0.00 23.12 20.02 3a2m s ALA 20 CO 0.06 -0.20 0.57 1.52 0.00 0.00 0.00 175.76 177.71 3a2m s TYR 21 N -2.59 -0.51 -0.05 0.00 -0.85 0.17 -0.38 117.35 113.14 3a2m s TYR 21 Ca 0.56 0.66 -0.03 0.00 -0.52 0.00 0.00 57.07 57.74 3a2m s TYR 21 Cb -0.10 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 3a2m s TYR 21 CO 0.33 -0.65 0.10 1.03 -1.52 0.00 0.00 175.55 174.84 3a2m s ARG 22 N -2.16 3.23 -0.05 -3.49 0.52 -0.49 0.12 118.95 116.63 3a2m s ARG 22 Ca -0.07 -0.34 -0.03 0.00 -0.52 0.00 0.00 55.73 54.77 3a2m s ARG 22 Cb -0.01 -2.99 0.02 0.00 0.52 0.00 0.00 34.95 32.50 3a2m s ARG 22 CO 0.01 0.70 0.13 -2.00 0.02 0.00 0.00 175.30 174.16 3a2m s GLU 23 N -1.42 0.11 0.14 3.54 2.12 -0.05 -0.93 118.70 122.22 3a2m s GLU 23 Ca 0.20 0.25 -0.17 0.00 0.36 0.00 0.00 54.97 55.61 3a2m s GLU 23 Cb -0.12 -0.04 0.04 0.00 0.26 0.00 0.00 34.13 34.27 3a2m s GLU 23 CO 0.10 -0.08 0.43 -0.08 -0.54 0.00 0.00 175.26 175.09 3a2m s THR 24 N 0.53 0.06 0.00 -1.70 -1.32 -0.55 -3.17 115.64 109.48 3a2m s THR 24 Ca -0.04 -0.58 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 3a2m s THR 24 Cb -0.05 -1.23 0.00 0.00 -1.51 0.00 0.00 72.50 69.71 3a2m s THR 24 CO -0.02 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 3a2m n GLY 25 N -0.26 2.25 3.64 6.08 0.00 -1.26 0.06 105.19 115.70 3a2m n GLY 25 Ca -0.15 -1.80 -0.48 0.00 0.00 0.00 0.00 46.02 43.59 3a2m n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a2m n ALA 26 N 1.88 0.37 1.36 4.61 0.00 -1.26 -4.81 120.51 122.66 3a2m n ALA 26 Ca 0.00 0.47 0.08 0.00 0.00 0.00 0.00 53.44 53.99 3a2m n ALA 26 Cb 0.00 -2.22 0.33 0.00 0.00 0.00 0.00 19.45 17.56 3a2m n ALA 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3a2m n GLN 27 N 2.83 1.55 -0.53 0.00 6.02 -1.26 -3.17 117.38 122.82 3a2m n GLN 27 Ca 0.17 -0.84 0.06 0.00 -0.01 0.00 0.00 57.00 56.37 3a2m n GLN 27 Cb 0.25 -1.32 0.27 0.00 1.02 0.00 0.00 30.24 30.46 3a2m n GLN 27 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3a2m n ASP 28 N 0.09 3.87 -4.73 1.08 3.85 -1.26 -4.99 116.55 114.47 3a2m n ASP 28 Ca 0.13 -2.47 -0.26 0.00 -0.71 0.00 0.00 54.79 51.49 3a2m n ASP 28 Cb 0.25 -0.55 -0.08 0.00 -1.35 0.00 0.00 41.12 39.39 3a2m n ASP 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3a2m s ALA 29 N -1.97 3.60 0.63 2.12 0.00 -1.19 -5.07 121.76 119.89 3a2m s ALA 29 Ca 0.37 -1.98 -0.19 0.00 0.00 0.00 0.00 51.96 50.17 3a2m s ALA 29 Cb 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 3a2m s ALA 29 CO 0.15 -0.17 1.30 -1.25 0.00 0.00 0.00 175.76 175.79 3a2m s PRO 30 N -3.89 2.64 0.10 0.00 0.04 -1.26 -4.21 135.00 128.42 3a2m s PRO 30 Ca 0.37 2.08 -0.19 0.00 0.04 0.00 0.00 61.00 63.30 3a2m s PRO 30 Cb 0.04 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 3a2m s PRO 30 CO 0.20 -1.53 0.60 0.08 0.04 0.00 0.00 177.00 176.39 3a2m s VAL 31 N -1.39 4.71 -0.14 -0.36 1.01 -1.26 -0.57 120.40 122.41 3a2m s VAL 31 Ca 0.81 1.20 0.01 0.00 0.00 0.00 0.00 61.98 64.01 3a2m s VAL 31 Cb -0.38 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.13 3a2m s VAL 31 CO 0.40 0.47 -0.17 -0.69 0.00 0.00 0.00 175.10 175.12 3a2m s VAL 32 N -1.21 1.70 -0.25 2.92 1.01 -0.01 -0.89 120.40 123.67 3a2m s VAL 32 Ca 0.32 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 3a2m s VAL 32 Cb -0.19 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3a2m s VAL 32 CO 0.20 0.48 0.18 -0.76 0.00 0.00 0.00 175.10 175.20 3a2m s LEU 33 N 1.15 4.09 -0.25 3.92 1.43 0.32 -1.06 118.68 128.28 3a2m s LEU 33 Ca -0.02 0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.09 3a2m s LEU 33 Cb -0.14 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 3a2m s LEU 33 CO -0.06 0.02 0.13 -0.36 0.23 0.00 0.00 176.35 176.31 3a2m s PHE 34 N 1.29 3.20 -0.25 0.29 0.08 -0.20 -0.97 117.98 121.43 3a2m s PHE 34 Ca 0.08 -0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.12 3a2m s PHE 34 Cb -0.14 -2.27 0.04 0.00 -0.57 0.00 0.00 43.02 40.08 3a2m s PHE 34 CO 0.07 -0.13 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.44 3a2m s LEU 35 N 1.38 3.18 0.75 -0.37 1.43 0.64 -3.84 118.68 121.84 3a2m s LEU 35 Ca 0.06 -1.12 -0.08 0.00 -1.03 0.00 0.00 54.13 51.95 3a2m s LEU 35 Cb -0.15 -1.58 0.07 0.00 0.03 0.00 0.00 46.19 44.57 3a2m s LEU 35 CO 0.06 -0.15 1.08 -1.38 0.23 0.00 0.00 176.35 176.19 3a2m s HIS 36 N 1.20 2.87 0.00 0.29 -3.43 -1.26 -2.50 115.29 112.45 3a2m s HIS 36 Ca -0.04 0.52 0.00 0.00 -0.80 0.00 0.00 55.06 54.74 3a2m s HIS 36 Cb -0.18 -3.32 0.00 0.00 -1.43 0.00 0.00 32.58 27.66 3a2m s HIS 36 CO -0.06 -1.57 0.00 0.41 -2.00 0.00 0.00 174.74 171.52 3a2m n GLY 37 N -3.07 4.86 3.80 -1.38 0.00 -1.23 -2.63 105.19 105.54 3a2m n GLY 37 Ca 0.08 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 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 6.55 -0.79 1.61 2.47 -1.26 -1.50 114.94 123.01 3a2m s ASN 38 Ca 0.00 0.65 -0.01 0.00 0.42 0.00 0.00 52.86 53.92 3a2m s ASN 38 Cb 0.00 -2.17 0.36 0.00 -1.45 0.00 0.00 41.25 37.98 3a2m s ASN 38 CO 0.00 0.26 1.82 -0.81 -3.72 0.00 0.00 177.10 174.65 3a2m n PRO 39 N 2.56 3.20 -0.23 0.43 -0.04 -1.26 -4.97 135.00 134.69 3a2m n PRO 39 Ca -0.15 -3.86 0.00 0.00 -0.04 0.00 0.00 63.50 59.45 3a2m n PRO 39 Cb 0.53 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 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 -0.47 0.00 -3.30 0.52 -2.24 -0.56 -4.96 114.28 103.27 3a2m n THR 40 Ca 0.50 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.25 3a2m n THR 40 Cb 0.31 -0.86 0.01 0.00 -2.10 0.00 0.00 70.33 67.69 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 -0.54 -0.67 0.33 3.42 3.41 -1.26 -4.36 113.62 113.95 3a2m n SER 41 Ca 0.00 -1.50 0.17 0.00 -0.26 0.00 0.00 58.87 57.28 3a2m n SER 41 Cb 0.00 1.13 0.90 0.00 -0.26 0.00 0.00 64.21 65.98 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 0.61 0.00 -1.03 4.04 4.64 -1.85 -1.90 113.55 118.06 3a2m h SER 42 Ca -0.10 0.00 0.27 0.00 -0.47 0.00 0.00 61.79 61.49 3a2m h SER 42 Cb 0.38 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.35 3a2m h SER 42 CO 0.13 0.00 0.63 -0.74 -0.87 0.00 0.00 176.83 175.98 3a2m h HIS 43 N 0.00 0.87 0.00 4.77 -0.00 -1.94 -1.41 115.15 117.44 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 0.48 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 3a2m h HIS 43 CO 0.00 0.01 0.00 0.97 -0.00 0.00 0.00 177.93 178.91 3a2m h ILE 44 N 0.46 0.00 -0.04 6.26 2.10 -1.75 -2.18 117.51 122.36 3a2m h ILE 44 Ca 0.65 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 66.31 3a2m h ILE 44 Cb 1.45 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 38.43 3a2m h ILE 44 CO -0.44 0.00 0.00 0.79 -1.08 0.00 0.00 178.15 177.42 3a2m n TRP 45 N -2.98 0.03 0.03 2.19 7.02 -0.53 -4.63 117.44 118.57 3a2m n TRP 45 Ca -0.01 -0.02 0.08 0.00 -1.02 0.00 0.00 57.50 56.54 3a2m n TRP 45 Cb 0.20 0.00 0.51 0.00 -2.42 0.00 0.00 31.31 29.61 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 3.14 0.34 -0.02 -0.99 0.11 -1.46 0.60 114.38 116.10 3a2m h ARG 46 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3a2m h ARG 46 Cb 0.67 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.67 3a2m h ARG 46 CO 0.00 0.23 -0.23 0.09 0.10 0.00 0.00 179.97 180.15 3a2m n ASN 47 N -4.48 1.81 -0.11 0.08 5.03 -1.26 -4.22 115.26 112.11 3a2m n ASN 47 Ca 0.04 -1.41 -0.23 0.00 0.87 0.00 0.00 54.58 53.85 3a2m n ASN 47 Cb 0.20 0.20 -0.12 0.00 -1.02 0.00 0.00 39.78 39.04 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 0.08 1.56 -0.27 2.41 5.41 0.02 -4.52 119.36 124.05 3a2m n ILE 48 Ca 0.13 -0.45 0.09 0.00 1.00 0.00 0.00 62.75 63.52 3a2m n ILE 48 Cb 0.44 -1.71 0.23 0.00 -0.71 0.00 0.00 39.64 37.88 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 -0.45 -0.00 -1.83 1.39 3.38 -1.24 -1.65 115.31 114.92 3a2m h LEU 49 Ca -0.56 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3a2m h LEU 49 Cb 1.75 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.73 3a2m h LEU 49 CO -0.18 -0.09 0.00 -0.65 0.09 0.00 0.00 178.44 177.61 3a2m h PRO 50 N 0.25 0.00 0.00 1.13 0.11 -1.79 -0.18 132.00 131.51 3a2m h PRO 50 Ca 0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.55 3a2m h PRO 50 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3a2m h PRO 50 CO -0.58 0.00 -0.76 -0.07 -0.21 0.00 0.00 178.00 176.38 3a2m h LEU 51 N 0.00 0.00 0.00 2.35 3.38 -1.55 -3.37 115.31 116.11 3a2m h LEU 51 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 3a2m h LEU 51 Cb 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3a2m h LEU 51 CO 0.00 0.15 -2.21 0.52 0.09 0.00 0.00 178.44 176.99 3a2m n VAL 52 N -2.88 0.95 0.05 1.22 0.31 -0.89 -4.54 118.33 112.56 3a2m n VAL 52 Ca -0.00 -0.72 0.19 0.00 -0.01 0.00 0.00 64.34 63.80 3a2m n VAL 52 Cb 0.61 -0.35 0.70 0.00 -0.91 0.00 0.00 33.84 33.90 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 -1.21 -1.20 113.55 120.63 3a2m h SER 53 Ca -0.38 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3a2m h SER 53 Cb 1.84 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.93 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 -1.80 -3.18 132.00 131.90 3a2m h PRO 54 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3a2m h PRO 54 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3a2m h PRO 54 CO -0.00 0.02 -0.08 1.33 -0.21 0.00 0.00 178.00 179.06 3a2m n VAL 55 N -3.23 0.00 -3.62 3.15 0.24 -0.51 -4.99 118.33 109.37 3a2m n VAL 55 Ca -0.02 -0.46 -0.12 0.00 -2.04 0.00 0.00 64.34 61.70 3a2m n VAL 55 Cb 0.16 1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.52 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 -0.82 -1.08 -0.60 2.33 0.00 -0.87 -4.49 121.76 116.22 3a2m s ALA 56 Ca 0.03 0.24 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 3a2m s ALA 56 Cb 0.03 0.53 0.04 0.00 0.00 0.00 0.00 23.12 23.72 3a2m s ALA 56 CO 0.09 -0.56 1.04 -1.58 0.00 0.00 0.00 175.76 174.75 3a2m s HIS 57 N -3.09 2.67 -0.16 0.00 2.46 0.27 -4.28 115.29 113.15 3a2m s HIS 57 Ca -0.02 -0.03 -0.19 0.00 0.47 0.00 0.00 55.06 55.30 3a2m s HIS 57 Cb 0.00 -4.27 -0.04 0.00 -0.13 0.00 0.00 32.58 28.14 3a2m s HIS 57 CO -0.07 -1.55 0.51 0.00 -2.47 0.00 0.00 174.74 171.17 3a2m s ILE 59 N 1.17 0.94 -0.41 0.00 1.01 -0.22 -1.49 121.20 122.20 3a2m s ILE 59 Ca 0.26 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.68 3a2m s ILE 59 Cb -0.15 -0.96 0.12 0.00 0.01 0.00 0.00 42.46 41.47 3a2m s ILE 59 CO 0.10 0.35 0.17 0.00 0.00 0.00 0.00 174.94 175.56 3a2m s ALA 60 N 1.61 2.60 0.50 9.38 0.00 -0.10 -1.03 121.76 134.72 3a2m s ALA 60 Ca 0.02 -2.63 -0.18 0.00 0.00 0.00 0.00 51.96 49.17 3a2m s ALA 60 Cb -0.13 -1.95 -0.08 0.00 0.00 0.00 0.00 23.12 20.96 3a2m s ALA 60 CO -0.06 -1.88 1.00 -1.25 0.00 0.00 0.00 175.76 173.57 3a2m s PRO 61 N 0.52 3.86 -0.19 0.00 0.04 -1.25 -1.39 135.00 136.59 3a2m s PRO 61 Ca 0.14 1.13 -0.25 0.00 0.04 0.00 0.00 61.00 62.07 3a2m s PRO 61 Cb -0.22 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 3a2m s PRO 61 CO -0.06 -0.36 0.81 -0.51 0.04 0.00 0.00 177.00 176.92 3a2m s ASP 62 N -2.56 6.89 0.80 6.66 1.01 0.49 -4.25 116.67 125.70 3a2m s ASP 62 Ca 0.62 1.09 -0.14 0.00 0.71 0.00 0.00 52.55 54.84 3a2m s ASP 62 Cb -0.12 -2.44 0.05 0.00 1.01 0.00 0.00 42.92 41.42 3a2m s ASP 62 CO 0.26 -0.41 1.02 0.18 0.21 0.00 0.00 175.17 176.42 3a2m n LEU 63 N 5.42 3.45 -4.72 1.23 4.77 -1.26 -4.39 117.00 121.50 3a2m n LEU 63 Ca 0.04 0.58 -0.43 0.00 -0.03 0.00 0.00 56.01 56.17 3a2m n LEU 63 Cb 0.49 -1.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.12 3a2m n LEU 63 CO 0.47 -2.08 1.18 0.00 -1.33 0.00 0.00 177.39 175.63 3a2m n ILE 64 N -3.08 0.94 -0.93 -0.08 0.13 -1.26 -0.86 119.36 114.22 3a2m n ILE 64 Ca 0.12 -0.24 0.00 0.00 -1.10 0.00 0.00 62.75 61.54 3a2m n ILE 64 Cb 0.50 -1.81 0.00 0.00 -0.84 0.00 0.00 39.64 37.49 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 2.26 0.74 3.60 4.50 0.00 -0.30 -5.03 105.19 110.97 3a2m n GLY 65 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.15 2.54 0.00 1.61 0.08 -0.04 -4.87 117.98 114.16 3a2m s PHE 66 Ca 0.00 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.72 3a2m s PHE 66 Cb 0.00 -1.26 0.00 0.00 -0.57 0.00 0.00 43.02 41.19 3a2m s PHE 66 CO 0.00 0.59 0.00 0.41 -0.10 0.00 0.00 175.22 176.12 3a2m n GLY 67 N -0.85 3.15 1.40 4.36 0.00 -1.26 -1.45 105.19 110.53 3a2m n GLY 67 Ca -0.05 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 2.84 -1.29 1.61 6.02 -1.26 -4.61 117.38 134.70 3a2m n GLN 68 Ca 0.00 -2.69 -0.31 0.00 -0.01 0.00 0.00 57.00 53.99 3a2m n GLN 68 Cb 0.00 -1.62 0.10 0.00 1.02 0.00 0.00 30.24 29.74 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 -0.99 4.39 0.90 1.08 0.01 -0.53 -4.37 113.70 114.20 3a2m s SER 69 Ca 0.50 1.72 -0.14 0.00 1.31 0.00 0.00 55.95 59.34 3a2m s SER 69 Cb 0.27 -2.44 0.01 0.00 0.21 0.00 0.00 66.02 64.07 3a2m s SER 69 CO 0.33 -2.09 0.37 0.61 0.41 0.00 0.00 173.24 172.87 3a2m n GLY 70 N -1.30 -2.04 2.58 3.44 0.00 0.11 -4.58 105.19 103.41 3a2m n GLY 70 Ca 0.08 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 3a2m n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a2m n LYS 71 N -1.28 2.51 -1.29 1.61 5.02 -1.26 -1.14 118.16 122.33 3a2m n LYS 71 Ca 0.07 -4.51 -0.32 0.00 -2.02 0.00 0.00 58.31 51.53 3a2m n LYS 71 Cb 0.53 -2.11 0.10 0.00 -0.02 0.00 0.00 35.03 33.53 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 -2.75 2.04 -1.24 1.97 0.04 -1.26 -4.90 135.00 128.90 3a2m s PRO 72 Ca 0.43 1.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 3a2m s PRO 72 Cb 0.22 -1.85 0.14 0.00 0.04 0.00 0.00 34.50 33.06 3a2m s PRO 72 CO -0.08 -1.85 1.57 -3.47 0.04 0.00 0.00 177.00 173.21 3a2m n ASP 73 N -3.21 5.11 -4.20 6.66 2.03 -1.26 -4.91 116.55 116.77 3a2m n ASP 73 Ca 0.11 -2.97 -0.23 0.00 0.52 0.00 0.00 54.79 52.22 3a2m n ASP 73 Cb 0.52 -1.61 -0.09 0.00 -0.72 0.00 0.00 41.12 39.22 3a2m n ASP 73 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3a2m s ILE 74 N 2.09 0.71 0.09 5.18 -4.36 -1.26 -5.07 121.20 118.59 3a2m s ILE 74 Ca 0.45 -2.00 0.13 0.00 -0.26 0.00 0.00 60.65 58.97 3a2m s ILE 74 Cb 0.00 -2.51 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 3a2m s ILE 74 CO 0.02 0.00 1.50 0.00 0.24 0.00 0.00 174.94 176.70 3a2m h ALA 75 N 1.97 0.72 -4.89 2.27 0.00 -2.01 -3.48 119.26 113.84 3a2m h ALA 75 Ca -0.37 -0.59 -0.39 0.00 0.00 0.00 0.00 54.91 53.56 3a2m h ALA 75 Cb 1.26 -0.10 0.09 0.00 0.00 0.00 0.00 17.79 19.04 3a2m h ALA 75 CO 0.60 0.81 -0.62 0.66 0.00 0.00 0.00 179.25 180.69 3a2m n TYR 76 N -3.46 -2.28 -1.44 0.00 4.01 -1.26 -4.86 117.16 107.87 3a2m n TYR 76 Ca 0.00 0.70 -0.29 0.00 -0.16 0.00 0.00 57.90 58.15 3a2m n TYR 76 Cb 0.72 -4.64 0.12 0.00 -0.31 0.00 0.00 39.34 35.23 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 -5.91 1.53 0.24 -0.72 0.52 -1.26 -4.58 118.95 108.77 3a2m s ARG 77 Ca 0.41 0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 56.15 3a2m s ARG 77 Cb -0.18 -1.86 0.45 0.00 0.52 0.00 0.00 34.95 33.88 3a2m s ARG 77 CO 0.50 -1.99 1.72 0.35 0.02 0.00 0.00 175.30 175.91 3a2m h PHE 78 N -1.36 0.48 0.00 -0.53 3.57 -1.95 -1.23 116.94 115.92 3a2m h PHE 78 Ca -0.49 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 3a2m h PHE 78 Cb 1.29 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 3a2m h PHE 78 CO 0.40 0.05 -0.19 0.74 -2.23 0.00 0.00 178.31 177.07 3a2m h PHE 79 N 0.42 0.00 -0.23 0.41 0.04 -1.99 -1.33 116.94 114.25 3a2m h PHE 79 Ca 0.41 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.12 3a2m h PHE 79 Cb 0.62 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 3a2m h PHE 79 CO -0.18 0.19 -0.08 -0.44 -0.60 0.00 0.00 178.31 177.21 3a2m h ASP 80 N 0.00 0.47 -0.95 2.17 3.32 -1.60 -2.54 116.42 117.30 3a2m h ASP 80 Ca -0.00 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.68 3a2m h ASP 80 Cb 0.66 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 3a2m h ASP 80 CO 0.03 0.75 0.62 0.45 -1.72 0.00 0.00 179.24 179.37 3a2m h HIS 81 N 0.19 1.18 -0.30 4.55 3.86 -0.79 -1.94 115.15 121.89 3a2m h HIS 81 Ca 0.06 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.35 3a2m h HIS 81 Cb 0.56 -0.40 -0.05 0.00 1.06 0.00 0.00 27.41 28.58 3a2m h HIS 81 CO 0.06 0.72 -0.04 0.28 0.86 0.00 0.00 177.93 179.81 3a2m h VAL 82 N 1.25 0.73 -0.38 2.45 2.07 -1.19 0.22 116.25 121.40 3a2m h VAL 82 Ca 0.36 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.85 3a2m h VAL 82 Cb -0.09 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3a2m h VAL 82 CO -0.09 0.01 0.19 0.03 0.02 0.00 0.00 177.57 177.73 3a2m h ARG 83 N 0.04 0.54 -0.42 1.57 3.08 -1.00 -1.21 114.38 116.98 3a2m h ARG 83 Ca 0.15 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 3a2m h ARG 83 Cb 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3a2m h ARG 83 CO -0.28 0.46 -0.16 1.88 -1.07 0.00 0.00 179.97 180.80 3a2m h TYR 84 N 0.48 0.96 -0.46 3.04 0.05 -1.17 -1.66 116.97 118.22 3a2m h TYR 84 Ca 0.13 -0.23 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 3a2m h TYR 84 Cb 0.09 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 3a2m h TYR 84 CO -0.02 0.99 0.13 1.25 -1.05 0.00 0.00 178.16 179.46 3a2m h LEU 85 N 0.66 0.68 -0.66 3.88 5.85 -0.85 -0.54 115.31 124.33 3a2m h LEU 85 Ca 0.10 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.70 3a2m h LEU 85 Cb 0.71 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 3a2m h LEU 85 CO 0.05 0.71 0.29 0.44 -0.34 0.00 0.00 178.44 179.60 3a2m h ASP 86 N 0.61 0.34 -0.41 1.25 3.32 -1.17 -1.46 116.42 118.89 3a2m h ASP 86 Ca 0.15 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 3a2m h ASP 86 Cb 0.29 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3a2m h ASP 86 CO -0.00 0.19 -0.10 0.00 -1.72 0.00 0.00 179.24 177.60 3a2m h ALA 87 N 1.43 0.92 -0.03 3.45 0.00 -1.01 -1.44 119.26 122.58 3a2m h ALA 87 Ca 0.33 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a2m h ALA 87 Cb 0.39 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3a2m h ALA 87 CO -0.29 0.63 0.02 0.35 0.00 0.00 0.00 179.25 179.96 3a2m h PHE 88 N 0.78 0.05 -0.42 0.00 3.57 -0.63 0.94 116.94 121.22 3a2m h PHE 88 Ca 0.13 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.66 3a2m h PHE 88 Cb 0.61 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 3a2m h PHE 88 CO 0.04 0.07 0.20 0.82 -2.23 0.00 0.00 178.31 177.21 3a2m h ILE 89 N 0.01 0.96 -0.00 1.41 2.04 -1.06 0.02 117.51 120.89 3a2m h ILE 89 Ca 0.01 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3a2m h ILE 89 Cb 0.04 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3a2m h ILE 89 CO -0.00 0.08 -0.03 -0.08 0.00 0.00 0.00 178.15 178.11 3a2m h GLU 90 N 0.41 -0.06 -0.92 2.37 4.81 -1.15 -2.04 114.58 118.01 3a2m h GLU 90 Ca 0.18 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3a2m h GLU 90 Cb 0.09 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 3a2m h GLU 90 CO -0.13 -0.04 0.60 0.37 -0.73 0.00 0.00 179.01 179.08 3a2m h GLN 91 N -0.06 1.12 0.00 1.92 -0.00 -0.36 -0.55 115.11 117.18 3a2m h GLN 91 Ca 0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3a2m h GLN 91 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 27.48 27.31 3a2m h GLN 91 CO -0.04 0.74 0.00 0.54 0.00 0.00 0.00 178.83 180.07 3a2m n ARG 92 N -4.51 0.02 -1.67 1.69 5.12 -0.05 -4.93 116.66 112.34 3a2m n ARG 92 Ca 0.12 0.15 -0.06 0.00 -1.93 0.00 0.00 57.85 56.13 3a2m n ARG 92 Cb 0.10 -1.54 -0.01 0.00 -1.16 0.00 0.00 32.46 29.85 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 0.69 0.47 3.66 -0.13 0.00 -0.21 -5.00 105.19 104.66 3a2m n GLY 93 Ca 0.05 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.27 4.75 -0.38 1.61 1.01 -0.90 -4.91 120.40 119.31 3a2m s VAL 94 Ca 0.00 1.85 0.21 0.00 0.00 0.00 0.00 61.98 64.04 3a2m s VAL 94 Cb 0.00 -4.23 -0.29 0.00 0.00 0.00 0.00 36.38 31.85 3a2m s VAL 94 CO 0.00 -0.12 0.62 0.35 0.00 0.00 0.00 175.10 175.95 3a2m n THR 95 N 5.22 0.00 -3.50 3.92 -2.24 -1.26 -4.75 114.28 111.67 3a2m n THR 95 Ca 0.09 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 3a2m n THR 95 Cb 0.47 0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 69.04 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 -3.90 -0.51 0.03 3.42 1.04 -1.26 -4.70 113.70 107.82 3a2m s SER 96 Ca -0.02 0.28 -0.27 0.00 0.48 0.00 0.00 55.95 56.42 3a2m s SER 96 Cb 0.14 0.47 0.08 0.00 0.10 0.00 0.00 66.02 66.82 3a2m s SER 96 CO 0.87 -0.66 0.70 0.00 0.98 0.00 0.00 173.24 175.13 3a2m s ALA 97 N -2.36 -1.72 0.48 5.32 0.00 -0.50 -4.39 121.76 118.59 3a2m s ALA 97 Ca -0.02 0.96 -0.20 0.00 0.00 0.00 0.00 51.96 52.70 3a2m s ALA 97 Cb -0.01 0.36 -0.09 0.00 0.00 0.00 0.00 23.12 23.39 3a2m s ALA 97 CO -0.03 -0.57 1.01 0.71 0.00 0.00 0.00 175.76 176.88 3a2m s TYR 98 N -2.50 3.12 -0.08 0.00 2.02 -0.07 -0.91 117.35 118.94 3a2m s TYR 98 Ca -0.03 1.57 0.05 0.00 -0.37 0.00 0.00 57.07 58.29 3a2m s TYR 98 Cb -0.01 -2.98 -0.01 0.00 -0.40 0.00 0.00 41.96 38.57 3a2m s TYR 98 CO -0.03 -0.61 -0.24 -0.51 -1.57 0.00 0.00 175.55 172.60 3a2m s LEU 99 N -3.52 2.14 -0.14 -1.29 1.43 -0.36 -0.52 118.68 116.42 3a2m s LEU 99 Ca 0.65 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 3a2m s LEU 99 Cb -0.14 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.69 3a2m s LEU 99 CO 0.20 0.20 -0.13 -0.69 0.23 0.00 0.00 176.35 176.16 3a2m s VAL 100 N 0.09 1.44 0.01 -1.59 1.01 -0.15 -0.39 120.40 120.83 3a2m s VAL 100 Ca -0.11 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 3a2m s VAL 100 Cb -0.16 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 3a2m s VAL 100 CO 0.06 0.44 0.12 0.00 0.00 0.00 0.00 175.10 175.72 3a2m s ALA 101 N 1.47 -0.24 0.00 5.51 0.00 -0.22 -0.26 121.76 128.02 3a2m s ALA 101 Ca 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 3a2m s ALA 101 Cb -0.13 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3a2m s ALA 101 CO -0.09 -0.24 0.04 -1.14 0.00 0.00 0.00 175.76 174.33 3a2m s GLN 102 N -1.73 0.27 6.41 0.00 -0.44 -1.04 -2.46 119.66 120.67 3a2m s GLN 102 Ca -0.12 -0.33 0.00 0.00 -2.50 0.00 0.00 55.36 52.41 3a2m s GLN 102 Cb -0.06 0.11 0.00 0.00 -1.64 0.00 0.00 33.01 31.42 3a2m s GLN 102 CO -0.00 -0.05 0.00 -3.47 0.50 0.00 0.00 175.29 172.27 3a2m n ASP 103 N 2.04 0.00 0.30 6.67 2.03 -0.52 -1.30 116.55 125.78 3a2m n ASP 103 Ca -0.20 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.28 3a2m n ASP 103 Cb 0.57 0.00 0.95 0.00 -0.72 0.00 0.00 41.12 41.92 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 -0.50 -0.67 4.06 -1.87 0.05 115.95 117.02 3a2m h TRP 104 Ca 0.00 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.01 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 0.02 0.33 0.78 -3.56 0.00 0.00 178.44 176.01 3a2m h GLY 105 N 0.15 0.52 1.29 1.49 0.00 -0.95 -2.17 103.07 103.40 3a2m h GLY 105 Ca -0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.04 3a2m h GLY 105 CO 0.00 0.12 -0.26 -0.91 0.00 0.00 0.00 176.54 175.49 3a2m h THR 106 N 0.41 1.27 -0.63 4.70 1.35 -1.02 0.26 112.91 119.25 3a2m h THR 106 Ca 0.22 -1.40 -0.06 0.00 -0.55 0.00 0.00 66.41 64.62 3a2m h THR 106 Cb 0.33 1.26 -0.03 0.00 -1.73 0.00 0.00 68.15 67.98 3a2m h THR 106 CO -0.06 0.47 0.18 0.00 -0.25 0.00 0.00 175.52 175.86 3a2m h ALA 107 N 1.01 0.83 -0.53 6.62 0.00 -1.50 0.28 119.26 125.98 3a2m h ALA 107 Ca 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3a2m h ALA 107 Cb 0.79 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3a2m h ALA 107 CO 0.07 0.52 0.26 -0.07 0.00 0.00 0.00 179.25 180.02 3a2m h LEU 108 N 0.92 0.69 -0.10 0.00 3.38 -1.25 -1.34 115.31 117.61 3a2m h LEU 108 Ca 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3a2m h LEU 108 Cb 0.32 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3a2m h LEU 108 CO -0.00 0.63 0.03 0.00 0.09 0.00 0.00 178.44 179.19 3a2m h ALA 109 N 1.09 0.12 -0.63 1.53 0.00 -0.55 0.08 119.26 120.91 3a2m h ALA 109 Ca 0.18 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3a2m h ALA 109 Cb 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3a2m h ALA 109 CO -0.02 -0.28 0.41 0.74 0.00 0.00 0.00 179.25 180.10 3a2m h PHE 110 N -0.02 0.78 -0.40 0.00 0.04 -0.34 -0.80 116.94 116.20 3a2m h PHE 110 Ca 0.03 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.70 3a2m h PHE 110 Cb 0.19 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3a2m h PHE 110 CO -0.01 0.48 -0.24 1.25 -0.60 0.00 0.00 178.31 179.19 3a2m h HIS 111 N 0.83 0.93 -0.04 -0.55 2.76 -1.11 -1.59 115.15 116.38 3a2m h HIS 111 Ca 0.23 -0.22 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3a2m h HIS 111 Cb -0.07 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 28.67 3a2m h HIS 111 CO -0.03 0.97 0.01 1.25 -1.30 0.00 0.00 177.93 178.83 3a2m h LEU 112 N 0.70 0.06 -1.20 0.26 5.85 -0.80 -2.53 115.31 117.66 3a2m h LEU 112 Ca 0.09 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3a2m h LEU 112 Cb 0.77 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 3a2m h LEU 112 CO 0.06 0.24 0.56 0.00 -0.34 0.00 0.00 178.44 178.96 3a2m h ALA 113 N 0.82 1.50 -0.44 1.25 0.00 -1.06 0.14 119.26 121.47 3a2m h ALA 113 Ca 0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3a2m h ALA 113 Cb 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a2m h ALA 113 CO -0.00 0.41 -0.21 0.00 0.00 0.00 0.00 179.25 179.44 3a2m h ALA 114 N 1.51 0.78 0.00 0.00 0.00 -1.18 -2.46 119.26 117.91 3a2m h ALA 114 Ca 0.34 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 3a2m h ALA 114 Cb 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3a2m h ALA 114 CO -0.11 0.66 -0.93 0.00 0.00 0.00 0.00 179.25 178.87 3a2m h ARG 115 N 0.78 0.00 -2.06 0.00 3.08 -1.00 -3.40 114.38 111.78 3a2m h ARG 115 Ca 0.10 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.63 3a2m h ARG 115 Cb 0.76 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.41 3a2m h ARG 115 CO 0.06 0.78 -1.05 0.54 -1.07 0.00 0.00 179.97 179.23 3a2m n ARG 116 N -3.27 1.35 0.10 0.04 5.12 0.45 -4.97 116.66 115.49 3a2m n ARG 116 Ca -0.01 -3.65 0.13 0.00 -1.93 0.00 0.00 57.85 52.38 3a2m n ARG 116 Cb 0.88 -1.69 0.63 0.00 -1.16 0.00 0.00 32.46 31.12 3a2m n ARG 116 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3a2m h PRO 117 N 3.36 0.09 0.00 5.56 0.13 -1.67 0.07 132.00 139.54 3a2m h PRO 117 Ca 0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3a2m h PRO 117 Cb 0.85 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3a2m h PRO 117 CO 0.56 0.06 0.00 0.38 -0.23 0.00 0.00 178.00 178.77 3a2m h ASP 118 N 0.09 0.00 1.14 1.44 2.03 -1.93 -2.87 116.42 116.32 3a2m h ASP 118 Ca 0.15 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.27 3a2m h ASP 118 Cb 0.47 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.94 3a2m h ASP 118 CO -0.01 0.00 -0.87 0.15 -1.03 0.00 0.00 179.24 177.47 3a2m h PHE 119 N 0.00 0.00 -3.59 4.15 3.57 -1.25 -3.47 116.94 116.35 3a2m h PHE 119 Ca 0.00 0.00 -0.65 0.00 3.53 0.00 0.00 57.97 60.85 3a2m h PHE 119 Cb 0.22 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 38.81 3a2m h PHE 119 CO 0.00 0.79 0.00 0.08 -2.23 0.00 0.00 178.31 176.95 3a2m s VAL 120 N -2.81 4.96 -0.44 1.41 1.01 -1.09 -1.41 120.40 122.04 3a2m s VAL 120 Ca 0.02 0.25 0.23 0.00 0.00 0.00 0.00 61.98 62.47 3a2m s VAL 120 Cb 0.09 -4.04 0.33 0.00 0.00 0.00 0.00 36.38 32.75 3a2m s VAL 120 CO 0.79 -0.34 1.60 0.03 0.00 0.00 0.00 175.10 177.18 3a2m h ARG 121 N 8.59 0.00 0.00 2.72 3.08 -1.36 -3.48 114.38 123.93 3a2m h ARG 121 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3a2m h ARG 121 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3a2m h ARG 121 CO 0.81 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 180.12 3a2m n GLY 122 N 1.11 2.41 2.83 0.04 0.00 -1.26 -4.40 105.19 105.91 3a2m n GLY 122 Ca 0.04 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 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 0.88 -0.17 0.99 2.96 -0.39 -1.22 118.68 121.72 3a2m s LEU 123 Ca 0.00 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 53.64 3a2m s LEU 123 Cb 0.00 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 3a2m s LEU 123 CO 0.00 -0.17 -0.00 0.00 -1.32 0.00 0.00 176.35 174.86 3a2m s ALA 124 N 1.85 3.10 0.19 5.97 0.00 0.48 -0.83 121.76 132.52 3a2m s ALA 124 Ca 0.05 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 51.03 3a2m s ALA 124 Cb -0.13 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.30 3a2m s ALA 124 CO -0.07 0.11 0.40 -0.59 0.00 0.00 0.00 175.76 175.61 3a2m s PHE 125 N 0.54 0.21 -0.12 0.00 -0.00 0.22 -1.06 117.98 117.77 3a2m s PHE 125 Ca -0.01 -0.57 -0.30 0.00 -0.00 0.00 0.00 56.93 56.05 3a2m s PHE 125 Cb -0.14 0.14 0.11 0.00 -0.00 0.00 0.00 43.02 43.13 3a2m s PHE 125 CO 0.02 -0.83 0.92 0.00 -0.00 0.00 0.00 175.22 175.33 3a2m s MET 126 N -3.94 0.71 -1.28 1.99 0.23 -1.03 -1.67 119.30 114.31 3a2m s MET 126 Ca 0.15 0.11 -0.14 0.00 -1.03 0.00 0.00 55.69 54.79 3a2m s MET 126 Cb 0.01 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.65 3a2m s MET 126 CO 0.01 -0.23 0.58 0.39 -2.03 0.00 0.00 175.02 173.73 3a2m n GLU 127 N 0.65 -1.82 -3.38 3.16 -0.58 -1.26 -3.61 120.64 113.79 3a2m n GLU 127 Ca -0.12 0.35 -0.22 0.00 -0.42 0.00 0.00 57.16 56.75 3a2m n GLU 127 Cb 0.58 -3.96 -0.00 0.00 -0.57 0.00 0.00 31.44 27.48 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 -3.73 3.30 -0.13 -0.32 -0.12 -1.26 -1.44 117.98 114.28 3a2m s PHE 128 Ca 0.27 0.09 -0.09 0.00 -0.05 0.00 0.00 56.93 57.14 3a2m s PHE 128 Cb -0.11 -2.00 -0.04 0.00 -0.63 0.00 0.00 43.02 40.24 3a2m s PHE 128 CO 0.90 -0.01 0.18 0.42 -0.05 0.00 0.00 175.22 176.66 3a2m s ILE 129 N -2.29 5.41 0.04 -4.49 1.01 -1.26 -4.82 121.20 114.80 3a2m s ILE 129 Ca 0.43 0.31 -0.03 0.00 0.00 0.00 0.00 60.65 61.36 3a2m s ILE 129 Cb -0.10 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 3a2m s ILE 129 CO 0.34 0.55 0.02 0.00 0.00 0.00 0.00 174.94 175.86 3a2m s ARG 130 N -0.57 0.52 0.27 2.79 1.70 -1.26 -4.75 118.95 117.65 3a2m s ARG 130 Ca 0.14 -0.84 -0.30 0.00 -0.47 0.00 0.00 55.73 54.26 3a2m s ARG 130 Cb -0.12 0.19 -0.13 0.00 -0.57 0.00 0.00 34.95 34.32 3a2m s ARG 130 CO 0.04 -0.11 1.47 -2.30 -1.08 0.00 0.00 175.30 173.31 3a2m n PRO 131 N 0.82 2.29 -3.98 3.89 -0.02 -1.26 -4.74 135.00 131.99 3a2m n PRO 131 Ca -0.19 0.81 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 3a2m n PRO 131 Cb 0.58 -2.51 -0.15 0.00 -0.02 0.00 0.00 33.50 31.40 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 -0.59 1.39 0.35 -0.52 -1.94 0.11 -5.00 119.30 113.09 3a2m s MET 132 Ca 0.65 -1.77 0.08 0.00 -1.71 0.00 0.00 55.69 52.94 3a2m s MET 132 Cb -0.58 -3.05 0.79 0.00 2.01 0.00 0.00 34.83 33.99 3a2m s MET 132 CO 0.50 -0.94 1.87 -1.35 -0.01 0.00 0.00 175.02 175.09 3a2m h PRO 133 N 7.67 0.70 -5.05 2.03 0.11 -1.93 -0.23 132.00 135.29 3a2m h PRO 133 Ca -0.05 -0.04 -0.39 0.00 0.11 0.00 0.00 66.00 65.62 3a2m h PRO 133 Cb 1.02 -0.16 -0.14 0.00 0.11 0.00 0.00 31.00 31.83 3a2m h PRO 133 CO 0.51 0.46 -0.63 0.95 -0.21 0.00 0.00 178.00 179.08 3a2m s THR 134 N -5.70 0.92 0.51 -1.15 -4.23 -1.26 -3.39 115.64 101.34 3a2m s THR 134 Ca -0.10 -2.01 0.23 0.00 -1.18 0.00 0.00 61.69 58.63 3a2m s THR 134 Cb 0.22 -2.53 0.29 0.00 1.34 0.00 0.00 72.50 71.82 3a2m s THR 134 CO 0.79 -0.16 2.15 -0.50 -0.54 0.00 0.00 174.62 176.36 3a2m h TRP 135 N 2.37 0.00 -0.17 3.99 4.06 -1.95 -0.65 115.95 123.60 3a2m h TRP 135 Ca -0.39 0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.61 3a2m h TRP 135 Cb 1.23 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.39 3a2m h TRP 135 CO 0.54 0.06 0.16 1.96 -3.56 0.00 0.00 178.44 177.59 3a2m h GLN 136 N 0.00 0.00 0.00 0.49 1.08 -1.96 -1.98 115.11 112.74 3a2m h GLN 136 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3a2m h GLN 136 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 3a2m h GLN 136 CO 0.01 0.00 -0.14 -0.25 -0.95 0.00 0.00 178.83 177.49 3a2m n ASP 137 N -4.03 0.60 -4.69 1.46 8.00 -0.25 -3.95 116.55 113.70 3a2m n ASP 137 Ca 0.01 0.43 -0.41 0.00 0.71 0.00 0.00 54.79 55.53 3a2m n ASP 137 Cb 0.28 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.85 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 -3.09 3.50 -1.45 1.24 5.36 -0.75 -3.41 117.98 119.38 3a2m s PHE 138 Ca 0.11 1.35 -0.11 0.00 -0.96 0.00 0.00 56.93 57.32 3a2m s PHE 138 Cb 0.14 -3.00 0.05 0.00 -0.34 0.00 0.00 43.02 39.88 3a2m s PHE 138 CO 0.61 -0.13 1.03 0.72 -1.46 0.00 0.00 175.22 175.99 3a2m n HIS 139 N 4.68 -2.46 -1.83 10.12 8.25 -1.26 -4.84 115.22 127.88 3a2m n HIS 139 Ca 0.04 0.94 -0.41 0.00 -0.26 0.00 0.00 57.72 58.03 3a2m n HIS 139 Cb 0.50 -4.38 -0.01 0.00 1.12 0.00 0.00 29.99 27.22 3a2m n HIS 139 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3a2m s HIS 140 N -3.33 2.72 -0.16 4.41 5.04 -1.22 -4.78 115.29 117.96 3a2m s HIS 140 Ca 0.58 1.02 -0.29 0.00 -1.54 0.00 0.00 55.06 54.83 3a2m s HIS 140 Cb -0.28 -4.00 0.09 0.00 0.04 0.00 0.00 32.58 28.43 3a2m s HIS 140 CO 0.79 -3.13 0.83 -0.08 -2.34 0.00 0.00 174.74 170.81 3a2m s THR 141 N -0.59 0.00 -1.76 0.89 -1.32 -1.26 -4.25 115.64 107.35 3a2m s THR 141 Ca 0.57 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.26 3a2m s THR 141 Cb -0.46 -1.00 0.63 0.00 -1.51 0.00 0.00 72.50 70.16 3a2m s THR 141 CO 0.55 0.00 1.53 -0.62 -2.21 0.00 0.00 174.62 173.87 3a2m n GLU 142 N 1.44 2.89 -3.20 7.08 1.02 -1.26 -4.92 120.64 123.68 3a2m n GLU 142 Ca -0.15 -2.66 -0.41 0.00 -0.02 0.00 0.00 57.16 53.93 3a2m n GLU 142 Cb 0.57 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 3a2m n GLU 142 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3a2m s VAL 143 N -1.12 5.00 0.28 2.62 1.01 -1.26 -4.97 120.40 121.95 3a2m s VAL 143 Ca 0.47 0.58 0.02 0.00 0.00 0.00 0.00 61.98 63.05 3a2m s VAL 143 Cb 0.26 -3.95 0.27 0.00 0.00 0.00 0.00 36.38 32.96 3a2m s VAL 143 CO 0.31 -0.15 1.73 0.00 0.00 0.00 0.00 175.10 176.99 3a2m h ALA 144 N 8.32 1.40 0.00 5.51 0.00 -2.03 -0.06 119.26 132.41 3a2m h ALA 144 Ca -0.28 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3a2m h ALA 144 Cb 1.13 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a2m h ALA 144 CO 0.77 -0.21 -0.04 0.93 0.00 0.00 0.00 179.25 180.70 3a2m h GLU 145 N 0.53 0.00 -0.00 0.00 5.08 -2.01 -3.01 114.58 115.17 3a2m h GLU 145 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 3a2m h GLU 145 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3a2m h GLU 145 CO -0.44 0.04 -0.50 0.39 -1.00 0.00 0.00 179.01 177.49 3a2m n GLU 146 N -3.16 0.15 -0.12 2.33 -0.58 -0.04 -4.38 120.64 114.83 3a2m n GLU 146 Ca -0.00 -0.09 0.06 0.00 -0.42 0.00 0.00 57.16 56.71 3a2m n GLU 146 Cb 0.29 -1.50 0.38 0.00 -0.57 0.00 0.00 31.44 30.04 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 0.22 0.66 0.40 3.49 1.08 -1.47 -2.46 115.11 117.03 3a2m h GLN 147 Ca 0.00 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 3a2m h GLN 147 Cb 0.50 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 3a2m h GLN 147 CO 0.00 0.44 -0.19 0.22 -0.95 0.00 0.00 178.83 178.34 3a2m h ASP 148 N 0.68 -0.46 -0.96 1.46 1.82 -1.82 -2.59 116.42 114.55 3a2m h ASP 148 Ca 0.26 -0.09 0.08 0.00 -0.39 0.00 0.00 57.03 56.89 3a2m h ASP 148 Cb 0.16 0.12 -0.07 0.00 0.68 0.00 0.00 39.33 40.22 3a2m h ASP 148 CO -0.07 -0.17 0.62 0.45 -1.61 0.00 0.00 179.24 178.45 3a2m h HIS 149 N -0.74 1.12 -0.32 0.28 3.86 -1.78 -2.68 115.15 114.89 3a2m h HIS 149 Ca -0.06 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 3a2m h HIS 149 Cb 0.52 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3a2m h HIS 149 CO -0.00 0.56 0.08 0.00 0.86 0.00 0.00 177.93 179.43 3a2m h ALA 150 N 1.49 0.42 -0.41 2.45 0.00 -1.37 -2.57 119.26 119.28 3a2m h ALA 150 Ca 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3a2m h ALA 150 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3a2m h ALA 150 CO -0.18 0.09 0.23 0.93 0.00 0.00 0.00 179.25 180.32 3a2m h GLU 151 N 0.36 0.56 -0.29 0.00 4.39 -1.15 -1.58 114.58 116.87 3a2m h GLU 151 Ca 0.10 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 3a2m h GLU 151 Cb 0.29 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3a2m h GLU 151 CO 0.00 0.41 -0.41 0.00 -1.16 0.00 0.00 179.01 177.85 3a2m h ALA 152 N 1.69 0.72 -0.26 3.43 0.00 -1.18 -0.85 119.26 122.81 3a2m h ALA 152 Ca 0.15 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3a2m h ALA 152 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3a2m h ALA 152 CO -0.03 0.66 0.14 0.00 0.00 0.00 0.00 179.25 180.03 3a2m h ALA 153 N 0.95 0.33 -0.66 0.00 0.00 -1.15 -1.57 119.26 117.17 3a2m h ALA 153 Ca 0.04 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3a2m h ALA 153 Cb 0.96 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3a2m h ALA 153 CO 0.09 -0.14 0.38 0.00 0.00 0.00 0.00 179.25 179.57 3a2m h ARG 154 N 0.30 0.69 -0.59 0.00 3.08 -1.12 -1.20 114.38 115.54 3a2m h ARG 154 Ca 0.09 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 3a2m h ARG 154 Cb 0.06 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3a2m h ARG 154 CO -0.01 0.46 0.04 0.00 -1.07 0.00 0.00 179.97 179.38 3a2m h ALA 155 N 1.32 0.95 -0.28 0.04 0.00 -0.84 -0.65 119.26 119.80 3a2m h ALA 155 Ca 0.28 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3a2m h ALA 155 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a2m h ALA 155 CO -0.16 0.64 -0.11 0.28 0.00 0.00 0.00 179.25 179.91 3a2m h VAL 156 N 0.93 1.29 0.00 0.00 2.07 -0.90 -2.77 116.25 116.87 3a2m h VAL 156 Ca 0.18 -1.17 -0.14 0.00 0.82 0.00 0.00 66.70 66.38 3a2m h VAL 156 Cb 0.48 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3a2m h VAL 156 CO 0.02 0.37 -0.67 -0.26 0.02 0.00 0.00 177.57 177.05 3a2m h PHE 157 N 0.32 0.00 -0.81 1.57 -1.00 -1.02 -0.41 116.94 115.58 3a2m h PHE 157 Ca 0.07 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.89 3a2m h PHE 157 Cb 0.61 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.11 3a2m h PHE 157 CO 0.06 0.67 0.50 0.00 -1.61 0.00 0.00 178.31 177.93 3a2m h ARG 158 N 0.00 0.92 -0.39 1.51 3.08 -1.10 -0.90 114.38 117.50 3a2m h ARG 158 Ca -0.01 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.84 3a2m h ARG 158 Cb 1.21 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 3a2m h ARG 158 CO 0.09 0.61 -0.33 0.87 -1.07 0.00 0.00 179.97 180.13 3a2m h LYS 159 N 0.95 0.92 -0.93 0.04 1.57 -1.11 -2.48 116.57 115.52 3a2m h LYS 159 Ca 0.34 -0.46 0.15 0.00 -1.87 0.00 0.00 60.65 58.81 3a2m h LYS 159 Cb 0.10 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 3a2m h LYS 159 CO -0.15 1.12 0.59 0.74 -0.57 0.00 0.00 179.45 181.18 3a2m h PHE 160 N 0.74 0.90 -0.08 -1.35 0.04 -0.62 -1.35 116.94 115.22 3a2m h PHE 160 Ca 0.07 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.87 3a2m h PHE 160 Cb 0.92 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.79 3a2m h PHE 160 CO 0.06 0.31 0.00 0.54 -0.60 0.00 0.00 178.31 178.62 3a2m n ARG 161 N -4.60 1.56 -3.27 1.51 1.74 -0.39 -4.15 116.66 109.07 3a2m n ARG 161 Ca 0.19 -0.82 -0.38 0.00 -0.77 0.00 0.00 57.85 56.06 3a2m n ARG 161 Cb 0.48 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.91 5.15 0.32 0.55 2.01 -0.54 -5.00 115.64 116.23 3a2m s THR 162 Ca 0.35 1.01 -0.28 0.00 0.31 0.00 0.00 61.69 63.09 3a2m s THR 162 Cb 0.19 -3.85 -0.13 0.00 0.01 0.00 0.00 72.50 68.72 3a2m s THR 162 CO 0.29 0.28 1.21 -2.65 -0.69 0.00 0.00 174.62 173.06 3a2m n PRO 163 N 3.95 1.88 0.00 4.92 -0.02 -1.26 -1.49 135.00 142.98 3a2m n PRO 163 Ca -0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3a2m n PRO 163 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 0.94 1.41 0.13 -1.23 0.00 -1.26 -4.59 105.19 100.58 3a2m n GLY 164 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 0.34 -0.64 1.61 5.08 -1.78 -1.75 114.58 117.44 3a2m h GLU 165 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3a2m h GLU 165 Cb 0.00 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3a2m h GLU 165 CO 0.00 0.44 0.42 0.78 -1.00 0.00 0.00 179.01 179.65 3a2m h GLY 166 N 0.18 0.90 0.58 -3.84 0.00 -0.94 -1.66 103.07 98.29 3a2m h GLY 166 Ca 0.07 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.10 3a2m h GLY 166 CO -0.00 0.34 0.04 0.83 0.00 0.00 0.00 176.54 177.74 3a2m h GLU 167 N 0.87 0.14 -0.49 4.80 3.07 -1.76 -0.09 114.58 121.11 3a2m h GLU 167 Ca 0.23 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.10 3a2m h GLU 167 Cb -0.09 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.76 3a2m h GLU 167 CO -0.05 0.09 0.30 0.00 -1.40 0.00 0.00 179.01 177.95 3a2m h ALA 168 N 1.25 0.62 -0.02 3.43 0.00 -1.04 0.70 119.26 124.21 3a2m h ALA 168 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3a2m h ALA 168 Cb 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3a2m h ALA 168 CO -0.22 0.02 -0.01 0.52 0.00 0.00 0.00 179.25 179.56 3a2m h MET 169 N 0.61 0.04 0.01 0.00 2.86 -1.08 0.32 114.93 117.69 3a2m h MET 169 Ca 0.19 -0.02 -0.30 0.00 -2.06 0.00 0.00 59.70 57.51 3a2m h MET 169 Cb -0.02 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3a2m h MET 169 CO -0.07 0.45 -1.65 -0.89 1.06 0.00 0.00 176.91 175.81 3a2m n ILE 170 N -4.85 1.56 -0.03 -1.22 5.41 -0.07 -0.46 119.36 119.70 3a2m n ILE 170 Ca -0.08 -0.18 -0.15 0.00 1.00 0.00 0.00 62.75 63.34 3a2m n ILE 170 Cb 0.23 -1.96 -0.10 0.00 -0.71 0.00 0.00 39.64 37.11 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 -0.87 0.37 0.00 1.39 3.38 -1.04 -2.80 115.31 115.75 3a2m h LEU 171 Ca -0.44 -0.66 -0.13 0.00 0.09 0.00 0.00 57.88 56.73 3a2m h LEU 171 Cb 1.46 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 3a2m h LEU 171 CO -0.23 0.97 -0.79 -0.33 0.09 0.00 0.00 178.44 178.16 3a2m h GLU 172 N -0.21 0.00 -0.01 1.13 5.08 -1.21 -3.35 114.58 116.01 3a2m h GLU 172 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3a2m h GLU 172 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3a2m h GLU 172 CO 0.06 0.78 -0.17 0.00 -1.00 0.00 0.00 179.01 178.68 3a2m n ALA 173 N -3.24 2.89 -3.30 3.43 0.00 0.09 -4.94 120.51 115.44 3a2m n ALA 173 Ca -0.21 -0.34 -0.24 0.00 0.00 0.00 0.00 53.44 52.65 3a2m n ALA 173 Cb 0.53 -1.23 0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.74 -4.88 0.22 0.00 5.15 -0.76 -4.87 115.26 109.38 3a2m n ASN 174 Ca 0.14 -0.40 0.06 0.00 -0.60 0.00 0.00 54.58 53.78 3a2m n ASN 174 Cb 0.31 -3.96 0.54 0.00 -0.53 0.00 0.00 39.78 36.14 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 0.99 1.79 -0.24 5.20 0.00 -0.94 -0.89 119.26 125.16 3a2m h ALA 175 Ca -0.49 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 3a2m h ALA 175 Cb 1.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3a2m h ALA 175 CO 0.56 0.16 -0.16 0.35 0.00 0.00 0.00 179.25 180.17 3a2m h PHE 176 N 0.04 0.63 -0.05 0.00 3.57 -1.86 0.10 116.94 119.37 3a2m h PHE 176 Ca 0.01 -0.17 -0.14 0.00 3.53 0.00 0.00 57.97 61.20 3a2m h PHE 176 Cb 0.20 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 38.81 3a2m h PHE 176 CO 0.00 0.82 -0.52 0.28 -2.23 0.00 0.00 178.31 176.66 3a2m h VAL 177 N 0.25 1.41 0.00 1.41 2.07 -1.88 -0.38 116.25 119.13 3a2m h VAL 177 Ca 0.05 -1.94 -0.10 0.00 0.82 0.00 0.00 66.70 65.54 3a2m h VAL 177 Cb 0.68 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 3a2m h VAL 177 CO 0.04 0.57 -0.73 -0.33 0.02 0.00 0.00 177.57 177.14 3a2m h GLU 178 N -0.04 0.00 0.00 1.57 4.39 -1.19 -3.38 114.58 115.93 3a2m h GLU 178 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3a2m h GLU 178 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3a2m h GLU 178 CO 0.10 0.33 -0.69 0.54 -1.16 0.00 0.00 179.01 178.13 3a2m n ARG 179 N -3.06 0.00 -0.11 2.33 5.12 0.25 -4.68 116.66 116.50 3a2m n ARG 179 Ca -0.01 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.80 3a2m n ARG 179 Cb 0.72 -0.50 -0.03 0.00 -1.16 0.00 0.00 32.46 31.49 3a2m n ARG 179 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3a2m h VAL 180 N 0.00 1.27 0.93 1.55 2.07 -1.11 -1.37 116.25 119.59 3a2m h VAL 180 Ca 0.00 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 3a2m h VAL 180 Cb 0.69 1.29 0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3a2m h VAL 180 CO 0.00 0.35 -0.45 0.25 0.02 0.00 0.00 177.57 177.74 3a2m h LEU 181 N 0.42 -1.06 -1.82 2.57 5.85 -1.24 -2.23 115.31 117.81 3a2m h LEU 181 Ca 0.09 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3a2m h LEU 181 Cb 0.53 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3a2m h LEU 181 CO 0.03 -0.75 0.18 -0.65 -0.34 0.00 0.00 178.44 176.91 3a2m h PRO 182 N -1.27 0.24 -0.04 5.25 0.11 -1.76 -1.90 132.00 132.63 3a2m h PRO 182 Ca -0.13 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.98 3a2m h PRO 182 Cb 0.96 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3a2m h PRO 182 CO 0.21 0.16 0.04 0.78 -0.21 0.00 0.00 178.00 178.98 3a2m h GLY 183 N 0.24 0.00 -2.85 -0.55 0.00 -0.94 -2.64 103.07 96.34 3a2m h GLY 183 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3a2m h GLY 183 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 3a2m n GLY 184 N -1.38 3.30 3.19 4.60 0.00 -0.72 -4.88 105.19 109.30 3a2m n GLY 184 Ca -0.02 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.66 2.03 0.01 -0.61 1.01 -1.00 -0.99 121.20 118.99 3a2m s ILE 185 Ca 0.50 -0.98 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 3a2m s ILE 185 Cb 0.38 -1.77 -0.17 0.00 0.01 0.00 0.00 42.46 40.90 3a2m s ILE 185 CO 0.15 0.55 1.36 0.58 0.00 0.00 0.00 174.94 177.58 3a2m h VAL 186 N 5.78 1.32 -4.44 2.92 2.07 -1.90 -3.45 116.25 118.56 3a2m h VAL 186 Ca -0.26 -1.02 -0.47 0.00 0.82 0.00 0.00 66.70 65.77 3a2m h VAL 186 Cb 1.21 1.89 0.11 0.00 -1.52 0.00 0.00 31.29 32.99 3a2m h VAL 186 CO 0.51 0.28 0.36 0.00 0.02 0.00 0.00 177.57 178.75 3a2m s ARG 187 N -4.56 1.76 -0.24 1.57 1.70 -1.26 -5.05 118.95 112.87 3a2m s ARG 187 Ca -0.15 0.26 -0.12 0.00 -0.47 0.00 0.00 55.73 55.24 3a2m s ARG 187 Cb 0.03 -1.91 -0.05 0.00 -0.57 0.00 0.00 34.95 32.45 3a2m s ARG 187 CO 0.69 -1.76 0.23 0.21 -1.08 0.00 0.00 175.30 173.59 3a2m s LYS 188 N -5.41 4.07 0.46 3.89 2.47 -1.26 -5.07 119.74 118.89 3a2m s LYS 188 Ca 0.62 -0.15 -0.23 0.00 -1.56 0.00 0.00 55.97 54.65 3a2m s LYS 188 Cb -0.13 -3.57 -0.07 0.00 -1.46 0.00 0.00 37.83 32.61 3a2m s LYS 188 CO 0.51 -0.02 1.24 -0.51 0.16 0.00 0.00 175.35 176.73 3a2m s LEU 189 N 1.30 4.03 0.78 5.43 1.43 -1.26 -5.00 118.68 125.39 3a2m s LEU 189 Ca 0.11 2.48 -0.12 0.00 -1.03 0.00 0.00 54.13 55.57 3a2m s LEU 189 Cb -0.14 -4.17 0.07 0.00 0.03 0.00 0.00 46.19 41.98 3a2m s LEU 189 CO 0.07 -1.04 1.13 -0.83 0.23 0.00 0.00 176.35 175.91 3a2m s GLY 190 N -1.13 1.90 0.26 -3.19 0.00 -1.26 -4.80 107.32 99.10 3a2m s GLY 190 Ca 0.64 0.53 -0.03 0.00 0.00 0.00 0.00 44.72 45.85 3a2m s GLY 190 CO 0.41 0.90 1.68 -0.55 0.00 0.00 0.00 173.10 175.54 3a2m h ASP 191 N -0.95 0.06 0.92 1.64 3.32 -1.99 -0.22 116.42 119.20 3a2m h ASP 191 Ca -0.45 0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 3a2m h ASP 191 Cb 1.26 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 3a2m h ASP 191 CO 0.49 -0.04 -0.24 1.05 -1.72 0.00 0.00 179.24 178.78 3a2m h GLU 192 N 0.29 0.00 0.15 3.56 9.09 -2.01 -1.15 114.58 124.51 3a2m h GLU 192 Ca 0.45 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.56 3a2m h GLU 192 Cb 0.80 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.91 3a2m h GLU 192 CO -0.53 0.24 -1.40 0.93 0.05 0.00 0.00 179.01 178.30 3a2m h GLU 193 N 0.00 0.31 -0.04 1.06 5.08 -1.59 -3.36 114.58 116.04 3a2m h GLU 193 Ca -0.00 -0.53 -0.20 0.00 -1.00 0.00 0.00 59.36 57.63 3a2m h GLU 193 Cb 0.76 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 3a2m h GLU 193 CO 0.03 1.22 -0.82 1.98 -1.00 0.00 0.00 179.01 180.42 3a2m h MET 194 N 0.08 0.35 -0.74 2.33 4.05 -0.92 -3.38 114.93 116.72 3a2m h MET 194 Ca -0.20 -0.33 0.08 0.00 -0.28 0.00 0.00 59.70 58.97 3a2m h MET 194 Cb 2.02 0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 32.84 3a2m h MET 194 CO 0.20 1.00 0.40 0.00 0.23 0.00 0.00 176.91 178.74 3a2m h ALA 195 N 0.89 1.02 0.00 0.39 0.00 -1.36 -0.96 119.26 119.25 3a2m h ALA 195 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a2m h ALA 195 Cb 1.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3a2m h ALA 195 CO 0.14 0.05 0.00 -2.30 0.00 0.00 0.00 179.25 177.13 3a2m n PRO 196 N -4.79 0.04 0.10 0.00 -0.02 -1.26 -1.57 135.00 127.50 3a2m n PRO 196 Ca 0.11 0.35 -0.03 0.00 -2.02 0.00 0.00 63.50 61.91 3a2m n PRO 196 Cb 0.23 -1.59 -0.05 0.00 -0.02 0.00 0.00 33.50 32.08 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 0.18 6.00 0.05 -1.38 -3.36 116.97 118.45 3a2m h TYR 197 Ca 0.00 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.45 3a2m h TYR 197 Cb 0.21 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.96 3a2m h TYR 197 CO 0.00 0.76 -1.61 0.00 -1.05 0.00 0.00 178.16 176.27 3a2m h ARG 198 N 0.00 0.38 0.00 4.88 3.08 -1.16 -3.40 114.38 118.16 3a2m h ARG 198 Ca -0.01 -0.65 -0.01 0.00 0.07 0.00 0.00 59.98 59.38 3a2m h ARG 198 Cb 1.59 0.24 -0.00 0.00 0.08 0.00 0.00 29.97 31.88 3a2m h ARG 198 CO 0.10 1.28 -0.04 1.79 -1.07 0.00 0.00 179.97 182.03 3a2m h THR 199 N 0.10 0.87 0.00 2.04 1.35 -1.50 -1.29 112.91 114.49 3a2m h THR 199 Ca -0.29 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3a2m h THR 199 Cb 2.09 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 3a2m h THR 199 CO 0.20 0.04 0.00 -2.65 -0.25 0.00 0.00 175.52 172.85 3a2m n PRO 200 N -4.26 0.18 -3.03 4.72 -0.02 -1.26 -4.23 135.00 127.10 3a2m n PRO 200 Ca -0.03 0.46 -0.23 0.00 -2.02 0.00 0.00 63.50 61.68 3a2m n PRO 200 Cb 0.12 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 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 -2.24 2.47 0.27 6.00 3.72 -0.49 -4.90 117.46 122.29 3a2m n PHE 201 Ca 0.02 -3.90 0.15 0.00 -0.05 0.00 0.00 57.45 53.66 3a2m n PHE 201 Cb 0.20 -0.45 0.46 0.00 -0.94 0.00 0.00 39.48 38.74 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 2.98 0.00 -5.14 -1.08 0.13 -1.74 -3.47 132.00 123.68 3a2m h PRO 202 Ca 0.12 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.90 3a2m h PRO 202 Cb 0.70 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.67 3a2m h PRO 202 CO 0.69 0.00 -0.73 0.95 -0.23 0.00 0.00 178.00 178.68 3a2m s THR 203 N -3.45 1.18 0.25 1.56 -4.23 -1.26 -5.05 115.64 104.64 3a2m s THR 203 Ca 0.04 -1.90 -0.03 0.00 -1.18 0.00 0.00 61.69 58.62 3a2m s THR 203 Cb 0.07 -1.68 0.22 0.00 1.34 0.00 0.00 72.50 72.45 3a2m s THR 203 CO 0.59 -0.63 1.75 -0.65 -0.54 0.00 0.00 174.62 175.15 3a2m h PRO 204 N 3.10 0.53 -0.69 3.99 0.11 -1.91 -2.04 132.00 135.09 3a2m h PRO 204 Ca -0.37 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 3a2m h PRO 204 Cb 1.19 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3a2m h PRO 204 CO 0.58 0.35 0.42 1.49 -0.21 0.00 0.00 178.00 180.63 3a2m h GLU 205 N 0.55 0.94 0.00 1.05 4.22 -1.97 -1.94 114.58 117.43 3a2m h GLU 205 Ca 0.43 -0.09 -0.00 0.00 0.08 0.00 0.00 59.36 59.78 3a2m h GLU 205 Cb 0.61 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3a2m h GLU 205 CO -0.37 0.67 -0.01 0.66 -2.18 0.00 0.00 179.01 177.79 3a2m h SER 206 N 0.95 0.00 -0.14 1.04 4.64 -1.75 -2.31 113.55 115.97 3a2m h SER 206 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3a2m h SER 206 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3a2m h SER 206 CO -0.05 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.46 3a2m n ARG 207 N -3.34 1.62 -0.26 4.77 1.74 -0.73 -4.41 116.66 116.05 3a2m n ARG 207 Ca -0.03 -0.93 0.05 0.00 -0.77 0.00 0.00 57.85 56.18 3a2m n ARG 207 Cb 0.10 -1.37 0.18 0.00 -1.02 0.00 0.00 32.46 30.35 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 1.86 0.43 0.00 5.56 3.08 -1.48 -0.92 114.38 122.91 3a2m h ARG 208 Ca 0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3a2m h ARG 208 Cb 0.41 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3a2m h ARG 208 CO 0.00 0.29 -0.18 -1.35 -1.07 0.00 0.00 179.97 177.65 3a2m h PRO 209 N 0.44 0.00 -0.03 0.04 0.11 -1.86 -1.45 132.00 129.25 3a2m h PRO 209 Ca 0.41 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.36 3a2m h PRO 209 Cb 0.61 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 3a2m h PRO 209 CO -0.40 0.18 -0.68 0.28 -0.21 0.00 0.00 178.00 177.18 3a2m h VAL 210 N 0.00 1.43 0.04 3.15 2.07 -1.49 -2.61 116.25 118.84 3a2m h VAL 210 Ca -0.00 -2.19 -0.24 0.00 0.82 0.00 0.00 66.70 65.09 3a2m h VAL 210 Cb 0.34 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3a2m h VAL 210 CO 0.02 0.64 -1.02 0.25 0.02 0.00 0.00 177.57 177.48 3a2m h LEU 211 N 0.11 0.50 -0.73 2.57 5.85 -1.11 -3.34 115.31 119.18 3a2m h LEU 211 Ca -0.01 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.20 3a2m h LEU 211 Cb 1.21 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 3a2m h LEU 211 CO 0.10 1.26 0.12 0.00 -0.34 0.00 0.00 178.44 179.57 3a2m h ALA 212 N 0.70 0.95 -0.01 1.25 0.00 -1.16 -3.27 119.26 117.72 3a2m h ALA 212 Ca -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3a2m h ALA 212 Cb 1.68 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 3a2m h ALA 212 CO 0.17 0.66 -0.01 0.74 0.00 0.00 0.00 179.25 180.82 3a2m h PHE 213 N 1.03 -0.02 0.00 0.00 0.04 -1.58 -2.17 116.94 114.24 3a2m h PHE 213 Ca 0.21 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 3a2m h PHE 213 Cb 0.42 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 3a2m h PHE 213 CO 0.03 -0.01 -0.10 -1.00 -0.60 0.00 0.00 178.31 176.63 3a2m h PRO 214 N -0.01 0.00 0.00 1.51 0.13 -1.73 -0.34 132.00 131.56 3a2m h PRO 214 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3a2m h PRO 214 Cb 0.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.15 3a2m h PRO 214 CO -0.01 0.10 0.00 0.54 -0.23 0.00 0.00 178.00 178.40 3a2m n ARG 215 N -3.76 0.08 0.03 0.86 1.74 -0.86 -2.72 116.66 112.03 3a2m n ARG 215 Ca -0.02 0.21 0.11 0.00 -0.77 0.00 0.00 57.85 57.38 3a2m n ARG 215 Cb 0.20 -1.62 0.08 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.75 0.25 -1.68 5.56 -0.58 -0.15 -4.47 120.64 117.82 3a2m n GLU 216 Ca 0.05 0.02 -0.45 0.00 -0.42 0.00 0.00 57.16 56.35 3a2m n GLU 216 Cb 0.27 -1.61 -0.04 0.00 -0.57 0.00 0.00 31.44 29.49 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 -1.95 3.25 -4.56 -4.62 4.77 -1.10 -4.52 117.00 108.27 3a2m n LEU 217 Ca 0.03 1.09 -0.40 0.00 -0.03 0.00 0.00 56.01 56.69 3a2m n LEU 217 Cb 0.42 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 3a2m n LEU 217 CO 0.39 -0.24 1.51 -2.16 -1.33 0.00 0.00 177.39 175.56 3a2m s PRO 218 N 0.74 3.56 -0.10 3.23 0.04 -1.26 -4.09 135.00 137.12 3a2m s PRO 218 Ca 0.77 -1.13 0.01 0.00 0.04 0.00 0.00 61.00 60.69 3a2m s PRO 218 Cb -0.65 -5.36 0.02 0.00 0.04 0.00 0.00 34.50 28.55 3a2m s PRO 218 CO 0.39 -2.28 -0.13 0.42 0.04 0.00 0.00 177.00 175.43 3a2m s ILE 219 N 5.23 1.35 -1.43 0.56 1.01 -0.71 -0.71 121.20 126.51 3a2m s ILE 219 Ca 0.48 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 3a2m s ILE 219 Cb -0.00 -1.25 0.05 0.00 0.01 0.00 0.00 42.46 41.26 3a2m s ILE 219 CO -0.08 0.41 0.98 0.00 0.00 0.00 0.00 174.94 176.25 3a2m n ALA 220 N 4.24 -1.48 -0.86 9.38 0.00 -0.10 -2.08 120.51 129.60 3a2m n ALA 220 Ca -0.19 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3a2m n ALA 220 Cb 0.51 -4.12 0.00 0.00 0.00 0.00 0.00 19.45 15.84 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 -1.71 0.88 3.02 0.00 0.00 -1.26 -5.02 105.19 101.09 3a2m n GLY 221 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 3a2m n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a2m s GLU 222 N -0.14 0.66 0.29 1.61 2.02 -0.89 -2.88 118.70 119.37 3a2m s GLU 222 Ca 0.00 -0.37 -0.29 0.00 0.02 0.00 0.00 54.97 54.33 3a2m s GLU 222 Cb 0.00 -0.62 -0.10 0.00 0.10 0.00 0.00 34.13 33.51 3a2m s GLU 222 CO 0.00 0.17 1.21 -1.25 0.02 0.00 0.00 175.26 175.41 3a2m s PRO 223 N -0.40 4.49 0.24 0.39 0.04 -1.26 -1.73 135.00 136.77 3a2m s PRO 223 Ca 0.02 2.00 -0.07 0.00 0.04 0.00 0.00 61.00 62.99 3a2m s PRO 223 Cb -0.04 -3.15 0.24 0.00 0.04 0.00 0.00 34.50 31.59 3a2m s PRO 223 CO -0.00 -0.02 1.91 0.00 0.04 0.00 0.00 177.00 178.93 3a2m h ALA 224 N 3.91 1.18 -0.44 8.56 0.00 -1.95 -0.23 119.26 130.29 3a2m h ALA 224 Ca -0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3a2m h ALA 224 Cb 1.22 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3a2m h ALA 224 CO 0.68 0.55 0.22 0.38 0.00 0.00 0.00 179.25 181.08 3a2m h ASP 225 N 1.23 0.58 -0.44 0.00 3.04 -1.98 -0.93 116.42 117.92 3a2m h ASP 225 Ca 0.34 -0.12 -0.12 0.00 -3.24 0.00 0.00 57.03 53.89 3a2m h ASP 225 Cb -0.12 -0.15 -0.01 0.00 -1.04 0.00 0.00 39.33 38.02 3a2m h ASP 225 CO -0.08 0.53 -0.19 0.58 -2.04 0.00 0.00 179.24 178.04 3a2m h VAL 226 N 0.58 1.27 -0.19 4.15 2.07 -1.82 -0.83 116.25 121.49 3a2m h VAL 226 Ca 0.15 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 66.37 3a2m h VAL 226 Cb 0.11 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3a2m h VAL 226 CO -0.02 0.45 -0.04 0.22 0.02 0.00 0.00 177.57 178.20 3a2m h TYR 227 N 0.73 -0.09 -0.38 1.57 3.20 -0.84 0.53 116.97 121.70 3a2m h TYR 227 Ca 0.10 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3a2m h TYR 227 Cb 0.76 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3a2m h TYR 227 CO 0.05 -0.07 0.10 1.49 -1.64 0.00 0.00 178.16 178.09 3a2m h GLU 228 N 0.01 0.60 -0.61 1.82 4.57 -1.12 0.17 114.58 120.02 3a2m h GLU 228 Ca 0.09 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 3a2m h GLU 228 Cb 0.13 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 3a2m h GLU 228 CO -0.19 0.63 0.35 0.00 -1.18 0.00 0.00 179.01 178.62 3a2m h ALA 229 N 0.95 0.80 0.00 2.92 0.00 -0.77 -0.92 119.26 122.24 3a2m h ALA 229 Ca 0.12 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3a2m h ALA 229 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3a2m h ALA 229 CO -0.00 0.04 -0.57 -0.07 0.00 0.00 0.00 179.25 178.65 3a2m h LEU 230 N 0.66 0.00 -0.24 0.00 3.38 -0.79 0.09 115.31 118.42 3a2m h LEU 230 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3a2m h LEU 230 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3a2m h LEU 230 CO -0.15 0.57 0.11 1.56 0.09 0.00 0.00 178.44 180.62 3a2m h GLN 231 N 0.00 0.35 -0.63 1.13 4.20 -0.56 -0.33 115.11 119.27 3a2m h GLN 231 Ca -0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3a2m h GLN 231 Cb 1.26 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 3a2m h GLN 231 CO 0.07 0.37 0.34 1.03 -0.67 0.00 0.00 178.83 179.98 3a2m h SER 232 N 0.25 0.79 -0.73 1.46 0.87 -0.95 -0.89 113.55 114.35 3a2m h SER 232 Ca 0.08 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 3a2m h SER 232 Cb 0.14 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 3a2m h SER 232 CO -0.01 0.66 0.30 0.00 -0.53 0.00 0.00 176.83 177.25 3a2m h ALA 233 N 1.16 0.95 -0.22 6.23 0.00 -0.84 -1.37 119.26 125.17 3a2m h ALA 233 Ca 0.22 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3a2m h ALA 233 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3a2m h ALA 233 CO -0.03 0.56 -0.29 0.45 0.00 0.00 0.00 179.25 179.94 3a2m h HIS 234 N 1.05 0.48 -0.38 0.00 -0.00 -0.81 -0.91 115.15 114.58 3a2m h HIS 234 Ca 0.24 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 3a2m h HIS 234 Cb 0.20 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 3a2m h HIS 234 CO 0.02 0.68 0.19 0.00 -0.00 0.00 0.00 177.93 178.81 3a2m h ALA 235 N 1.32 0.49 -0.55 2.45 0.00 -0.68 -1.69 119.26 120.60 3a2m h ALA 235 Ca 0.05 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3a2m h ALA 235 Cb 0.70 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3a2m h ALA 235 CO 0.05 0.05 0.30 0.00 0.00 0.00 0.00 179.25 179.65 3a2m h ALA 236 N 1.04 0.71 -0.69 0.00 0.00 -1.09 -1.72 119.26 117.50 3a2m h ALA 236 Ca 0.13 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3a2m h ALA 236 Cb 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3a2m h ALA 236 CO -0.02 -0.02 0.44 1.25 0.00 0.00 0.00 179.25 180.90 3a2m h LEU 237 N 0.58 0.75 -1.57 0.00 5.85 -0.94 -0.04 115.31 119.94 3a2m h LEU 237 Ca 0.23 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 3a2m h LEU 237 Cb 0.10 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3a2m h LEU 237 CO -0.14 0.53 -0.18 0.00 -0.34 0.00 0.00 178.44 178.31 3a2m h ALA 238 N 1.27 1.18 -0.10 1.25 0.00 -0.95 -2.38 119.26 119.53 3a2m h ALA 238 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a2m h ALA 238 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3a2m h ALA 238 CO -0.08 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.39 3a2m n ALA 239 N -2.27 2.50 -2.12 0.00 0.00 -0.60 -4.54 120.51 113.47 3a2m n ALA 239 Ca -0.01 -0.64 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 3a2m n ALA 239 Cb 0.32 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.86 6.35 0.00 0.00 1.04 -0.13 -5.01 113.70 114.10 3a2m s SER 240 Ca 0.33 1.15 0.03 0.00 0.48 0.00 0.00 55.95 57.94 3a2m s SER 240 Cb 0.20 -2.34 0.07 0.00 0.10 0.00 0.00 66.02 64.06 3a2m s SER 240 CO 0.31 -0.60 0.97 -1.54 0.98 0.00 0.00 173.24 173.37 3a2m n SER 241 N -2.06 2.05 -4.85 7.02 3.41 -1.26 -4.61 113.62 113.31 3a2m n SER 241 Ca 0.03 -1.82 -0.32 0.00 -0.26 0.00 0.00 58.87 56.50 3a2m n SER 241 Cb 0.54 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.85 3.52 0.46 7.33 -0.85 -1.26 -4.96 117.35 120.74 3a2m s TYR 242 Ca 0.06 1.37 -0.24 0.00 -0.52 0.00 0.00 57.07 57.74 3a2m s TYR 242 Cb 0.03 -2.74 -0.07 0.00 0.38 0.00 0.00 41.96 39.56 3a2m s TYR 242 CO 0.04 -0.47 1.24 -2.14 -1.52 0.00 0.00 175.55 172.70 3a2m s PRO 243 N -4.47 3.72 0.02 -3.49 0.02 -1.26 -4.80 135.00 124.74 3a2m s PRO 243 Ca 0.57 1.98 0.04 0.00 0.02 0.00 0.00 61.00 63.60 3a2m s PRO 243 Cb -0.10 -2.50 -0.02 0.00 0.02 0.00 0.00 34.50 31.90 3a2m s PRO 243 CO 0.40 -0.64 -0.11 0.15 -0.33 0.00 0.00 177.00 176.46 3a2m s LYS 244 N -2.57 0.83 -0.20 5.54 1.02 0.14 -1.26 119.74 123.23 3a2m s LYS 244 Ca 0.63 -0.56 -0.01 0.00 0.02 0.00 0.00 55.97 56.04 3a2m s LYS 244 Cb -0.34 -0.79 0.06 0.00 -0.52 0.00 0.00 37.83 36.24 3a2m s LYS 244 CO 0.42 0.20 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.87 3a2m s LEU 245 N -0.75 1.75 -0.18 3.17 2.96 -0.01 -1.09 118.68 124.53 3a2m s LEU 245 Ca 0.01 -0.92 -0.08 0.00 -0.22 0.00 0.00 54.13 52.93 3a2m s LEU 245 Cb -0.06 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 3a2m s LEU 245 CO 0.00 -0.26 0.07 -0.22 -1.32 0.00 0.00 176.35 174.63 3a2m s LEU 246 N 1.66 3.89 0.01 -0.68 2.96 -0.16 -0.61 118.68 125.74 3a2m s LEU 246 Ca -0.03 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 3a2m s LEU 246 Cb -0.17 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 3a2m s LEU 246 CO -0.07 0.19 0.03 -0.36 -1.32 0.00 0.00 176.35 174.82 3a2m s PHE 247 N 0.28 3.14 0.02 5.38 0.08 -0.67 -0.19 117.98 126.02 3a2m s PHE 247 Ca 0.04 0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.24 3a2m s PHE 247 Cb -0.12 -1.68 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 3a2m s PHE 247 CO -0.00 0.50 -0.09 -0.08 -0.10 0.00 0.00 175.22 175.44 3a2m s THR 248 N -1.16 0.71 0.46 0.64 -1.32 -0.49 -4.40 115.64 110.08 3a2m s THR 248 Ca 0.22 -0.71 0.08 0.00 -1.21 0.00 0.00 61.69 60.07 3a2m s THR 248 Cb -0.12 -0.66 0.03 0.00 -1.51 0.00 0.00 72.50 70.24 3a2m s THR 248 CO 0.13 -0.04 0.60 -0.83 -2.21 0.00 0.00 174.62 172.27 3a2m s GLY 249 N -0.83 1.93 -0.22 6.08 0.00 -1.26 -1.07 107.32 111.94 3a2m s GLY 249 Ca -0.01 -1.80 0.02 0.00 0.00 0.00 0.00 44.72 42.92 3a2m s GLY 249 CO 0.00 -1.58 -0.13 -0.54 0.00 0.00 0.00 173.10 170.85 3a2m s GLU 250 N -4.41 2.38 0.00 2.90 0.41 0.48 -2.96 118.70 117.51 3a2m s GLU 250 Ca 0.55 -1.04 0.29 0.00 -0.41 0.00 0.00 54.97 54.36 3a2m s GLU 250 Cb -0.08 -2.65 1.20 0.00 -1.78 0.00 0.00 34.13 30.82 3a2m s GLU 250 CO 0.34 -0.43 1.83 -0.35 -0.49 0.00 0.00 175.26 176.16 3a2m n PRO 251 N 4.56 1.48 0.00 0.39 -0.04 -1.08 -1.25 135.00 139.07 3a2m n PRO 251 Ca -0.16 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 3a2m n PRO 251 Cb 0.46 -1.48 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 1.15 -0.97 0.94 0.55 0.00 -0.18 -4.21 105.19 102.47 3a2m n GLY 252 Ca 0.20 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 1.51 1.83 0.19 4.61 0.00 -1.24 -4.55 120.51 122.85 3a2m n ALA 253 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3a2m n ALA 253 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 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 -7.61 0.00 3.38 -1.91 -3.38 115.31 105.79 3a2m h LEU 254 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 3a2m h LEU 254 Cb 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.37 3a2m h LEU 254 CO 0.00 0.31 -0.78 -0.69 0.09 0.00 0.00 178.44 177.37 3a2m s VAL 255 N -3.37 1.43 0.52 1.22 1.01 -1.26 -4.55 120.40 115.40 3a2m s VAL 255 Ca 0.02 -1.14 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 3a2m s VAL 255 Cb 0.09 -1.71 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 3a2m s VAL 255 CO 0.68 -0.10 1.01 -0.94 0.00 0.00 0.00 175.10 175.75 3a2m s SER 256 N 1.44 6.41 0.34 3.32 1.04 -1.26 -4.40 113.70 120.59 3a2m s SER 256 Ca -0.05 1.68 0.05 0.00 0.48 0.00 0.00 55.95 58.11 3a2m s SER 256 Cb -0.19 -2.52 0.69 0.00 0.10 0.00 0.00 66.02 64.10 3a2m s SER 256 CO -0.06 -0.73 1.91 -0.65 0.98 0.00 0.00 173.24 174.69 3a2m h PRO 257 N 0.96 0.81 -0.24 4.02 0.11 -1.74 0.79 132.00 136.71 3a2m h PRO 257 Ca -0.47 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.41 3a2m h PRO 257 Cb 1.20 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3a2m h PRO 257 CO 0.60 0.53 -0.54 1.05 -0.21 0.00 0.00 178.00 179.44 3a2m h GLU 258 N 0.83 0.78 -0.72 1.05 9.09 -1.95 -2.32 114.58 121.35 3a2m h GLU 258 Ca 0.38 -0.53 -0.01 0.00 0.05 0.00 0.00 59.36 59.26 3a2m h GLU 258 Cb 0.38 0.07 -0.03 0.00 -1.65 0.00 0.00 28.75 27.51 3a2m h GLU 258 CO -0.15 1.15 0.42 0.35 0.05 0.00 0.00 179.01 180.83 3a2m h PHE 259 N 0.53 0.96 -0.99 2.06 3.57 -1.81 -2.56 116.94 118.70 3a2m h PHE 259 Ca 0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3a2m h PHE 259 Cb 1.15 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 3a2m h PHE 259 CO 0.08 0.66 0.64 0.00 -2.23 0.00 0.00 178.31 177.47 3a2m h ALA 260 N 1.22 1.41 -0.41 2.41 0.00 -0.66 0.15 119.26 123.38 3a2m h ALA 260 Ca 0.26 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3a2m h ALA 260 Cb -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3a2m h ALA 260 CO -0.05 0.45 0.09 1.49 0.00 0.00 0.00 179.25 181.24 3a2m h GLU 261 N 1.17 0.66 -0.54 0.00 4.57 -1.13 -0.46 114.58 118.85 3a2m h GLU 261 Ca 0.42 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 58.38 3a2m h GLU 261 Cb 0.14 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3a2m h GLU 261 CO -0.16 0.68 0.11 0.00 -1.18 0.00 0.00 179.01 178.47 3a2m h ARG 262 N 0.52 0.88 -0.11 1.92 3.08 -1.01 -2.11 114.38 117.54 3a2m h ARG 262 Ca 0.13 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3a2m h ARG 262 Cb 0.33 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3a2m h ARG 262 CO 0.00 0.84 0.01 0.35 -1.07 0.00 0.00 179.97 180.10 3a2m h PHE 263 N 0.77 0.21 -0.53 3.04 3.57 -0.56 -1.61 116.94 121.83 3a2m h PHE 263 Ca 0.17 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.70 3a2m h PHE 263 Cb 0.37 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.00 3a2m h PHE 263 CO 0.03 0.42 0.22 0.00 -2.23 0.00 0.00 178.31 176.74 3a2m h ALA 264 N 0.76 0.67 0.00 2.41 0.00 -1.08 -1.13 119.26 120.89 3a2m h ALA 264 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3a2m h ALA 264 Cb 0.33 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3a2m h ALA 264 CO 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 179.25 179.04 3a2m h ALA 265 N 1.34 1.13 0.00 0.00 0.00 -1.25 -2.27 119.26 118.20 3a2m h ALA 265 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3a2m h ALA 265 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3a2m h ALA 265 CO -0.23 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 177.94 3a2m n SER 266 N -3.33 0.00 -4.84 0.00 3.41 -0.44 -4.83 113.62 103.59 3a2m n SER 266 Ca -0.02 0.47 -0.22 0.00 -0.26 0.00 0.00 58.87 58.85 3a2m n SER 266 Cb 0.19 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 63.61 3a2m n SER 266 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3a2m s LEU 267 N -2.98 3.31 0.00 1.04 1.43 -0.86 -4.89 118.68 115.74 3a2m s LEU 267 Ca 0.13 -0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 52.38 3a2m s LEU 267 Cb 0.17 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3a2m s LEU 267 CO 0.48 -0.63 0.15 0.42 0.23 0.00 0.00 176.35 177.01 3a2m s THR 268 N -2.51 5.21 -1.46 5.49 -4.23 -1.26 -4.61 115.64 112.27 3a2m s THR 268 Ca 0.46 -0.27 -0.09 0.00 -1.18 0.00 0.00 61.69 60.61 3a2m s THR 268 Cb -0.01 -3.44 0.04 0.00 1.34 0.00 0.00 72.50 70.43 3a2m s THR 268 CO 0.26 0.30 0.85 0.54 -0.54 0.00 0.00 174.62 176.04 3a2m n ARG 269 N 0.91 -5.75 -3.79 3.99 1.74 -1.26 -4.72 116.66 107.78 3a2m n ARG 269 Ca -0.11 0.75 -0.37 0.00 -0.77 0.00 0.00 57.85 57.36 3a2m n ARG 269 Cb 0.52 -5.66 -0.13 0.00 -1.02 0.00 0.00 32.46 26.18 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 1.50 3.59 -0.10 0.00 0.00 -0.25 -4.81 121.76 121.69 3a2m s ALA 271 Ca 0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3a2m s ALA 271 Cb -0.16 -2.30 0.03 0.00 0.00 0.00 0.00 23.12 20.68 3a2m s ALA 271 CO 0.01 -0.08 -0.06 -1.17 0.00 0.00 0.00 175.76 174.47 3a2m s LEU 272 N -4.31 1.06 -0.19 0.00 2.96 -1.26 -0.99 118.68 115.95 3a2m s LEU 272 Ca 0.43 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 54.04 3a2m s LEU 272 Cb -0.10 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.82 3a2m s LEU 272 CO 0.38 -0.13 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.64 3a2m s ILE 273 N 1.73 3.90 -0.29 6.68 -1.09 0.73 -4.99 121.20 127.85 3a2m s ILE 273 Ca 0.04 -0.33 -0.17 0.00 -2.23 0.00 0.00 60.65 57.96 3a2m s ILE 273 Cb -0.13 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.98 3a2m s ILE 273 CO -0.07 0.44 0.46 -0.13 -1.23 0.00 0.00 174.94 174.40 3a2m s ARG 274 N 0.94 3.90 0.10 2.79 0.52 -1.26 -1.39 118.95 124.54 3a2m s ARG 274 Ca 0.01 0.05 0.20 0.00 -0.52 0.00 0.00 55.73 55.47 3a2m s ARG 274 Cb -0.14 -3.71 -0.11 0.00 0.52 0.00 0.00 34.95 31.51 3a2m s ARG 274 CO 0.02 -0.42 0.83 1.28 0.02 0.00 0.00 175.30 177.03 3a2m n LEU 275 N 5.52 0.68 0.00 2.53 4.77 -0.24 -4.98 117.00 125.28 3a2m n LEU 275 Ca -0.06 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3a2m n LEU 275 Cb 0.50 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3a2m n LEU 275 CO 0.41 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3a2m n GLY 276 N 1.29 -0.91 3.65 -0.72 0.00 -1.26 -4.93 105.19 102.32 3a2m n GLY 276 Ca -0.05 -1.80 -0.48 0.00 0.00 0.00 0.00 46.02 43.69 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 0.58 1.03 -3.55 4.61 0.00 -1.26 -0.38 120.51 121.54 3a2m n ALA 277 Ca 0.00 0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 3a2m n ALA 277 Cb 0.00 -2.56 -0.03 0.00 0.00 0.00 0.00 19.45 16.86 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 4.83 -0.36 0.00 0.00 0.00 -0.38 -4.76 107.32 106.65 3a2m s GLY 278 Ca 0.95 1.45 0.00 0.00 0.00 0.00 0.00 44.72 47.12 3a2m s GLY 278 CO 0.49 0.56 0.00 1.04 0.00 0.00 0.00 173.10 175.20 3a2m n LEU 279 N 0.03 0.00 -0.06 0.66 4.77 -1.26 -1.01 117.00 120.12 3a2m n LEU 279 Ca -0.06 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.70 3a2m n LEU 279 Cb 0.60 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.56 3a2m n LEU 279 CO 0.11 0.00 -0.82 1.57 -1.33 0.00 0.00 177.39 176.92 3a2m n HIS 280 N 0.00 0.93 -2.44 -1.77 -0.00 -0.95 -3.64 115.22 107.36 3a2m n HIS 280 Ca 0.00 0.28 -0.42 0.00 -0.00 0.00 0.00 57.72 57.58 3a2m n HIS 280 Cb 0.00 -1.11 0.01 0.00 -0.00 0.00 0.00 29.99 28.89 3a2m n HIS 280 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3a2m n TYR 281 N -3.89 2.68 0.23 1.57 4.01 -0.16 -4.80 117.16 116.80 3a2m n TYR 281 Ca -0.36 -2.72 0.07 0.00 -0.16 0.00 0.00 57.90 54.73 3a2m n TYR 281 Cb 0.89 -1.71 0.61 0.00 -0.31 0.00 0.00 39.34 38.83 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 6.56 0.06 -1.32 7.72 3.38 -1.81 -1.67 115.31 128.23 3a2m h LEU 282 Ca 0.43 -0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.55 3a2m h LEU 282 Cb 0.53 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 3a2m h LEU 282 CO 1.50 0.04 0.57 1.56 0.09 0.00 0.00 178.44 182.21 3a2m h GLN 283 N 0.07 0.62 0.00 1.13 7.50 -1.90 -0.89 115.11 121.64 3a2m h GLN 283 Ca 0.02 -0.04 -0.08 0.00 0.50 0.00 0.00 58.65 59.05 3a2m h GLN 283 Cb -0.01 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.37 3a2m h GLN 283 CO -0.00 0.41 -0.40 0.93 -1.50 0.00 0.00 178.83 178.26 3a2m h GLU 284 N 0.64 0.00 0.00 1.46 4.39 -1.59 -2.07 114.58 117.41 3a2m h GLU 284 Ca 0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.15 3a2m h GLU 284 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3a2m h GLU 284 CO -0.21 0.40 -1.20 -0.25 -1.16 0.00 0.00 179.01 176.60 3a2m n ASP 285 N -3.36 0.63 -1.64 1.42 8.00 -0.90 -4.63 116.55 116.06 3a2m n ASP 285 Ca 0.01 0.16 0.03 0.00 0.71 0.00 0.00 54.79 55.70 3a2m n ASP 285 Cb 0.60 0.82 0.02 0.00 -0.02 0.00 0.00 41.12 42.54 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 -2.45 0.14 -0.13 1.24 8.25 -0.39 -4.93 115.22 116.96 3a2m n HIS 286 Ca -0.00 -0.69 -0.05 0.00 -0.26 0.00 0.00 57.72 56.72 3a2m n HIS 286 Cb 0.53 -0.14 0.04 0.00 1.12 0.00 0.00 29.99 31.54 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 1.16 0.47 -0.40 -1.41 0.00 -1.58 0.17 119.26 117.68 3a2m h ALA 287 Ca -0.23 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3a2m h ALA 287 Cb 1.82 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 3a2m h ALA 287 CO 0.10 -0.28 0.10 -0.44 0.00 0.00 0.00 179.25 178.73 3a2m h ASP 288 N 0.26 0.60 -0.48 0.00 3.32 -1.88 -0.29 116.42 117.94 3a2m h ASP 288 Ca 0.20 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3a2m h ASP 288 Cb 0.22 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3a2m h ASP 288 CO -0.23 0.67 0.23 0.00 -1.72 0.00 0.00 179.24 178.18 3a2m h ALA 289 N 0.95 0.63 -0.11 3.45 0.00 -1.87 -0.60 119.26 121.71 3a2m h ALA 289 Ca 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a2m h ALA 289 Cb 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3a2m h ALA 289 CO 0.00 0.20 0.05 0.82 0.00 0.00 0.00 179.25 180.32 3a2m h ILE 290 N 0.64 1.10 -0.29 0.00 2.04 -0.79 -1.37 117.51 118.85 3a2m h ILE 290 Ca 0.17 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3a2m h ILE 290 Cb 0.13 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3a2m h ILE 290 CO -0.02 0.09 0.14 1.23 0.00 0.00 0.00 178.15 179.60 3a2m h GLY 291 N 0.06 0.45 1.03 5.37 0.00 -0.90 0.38 103.07 109.46 3a2m h GLY 291 Ca 0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 3a2m h GLY 291 CO -0.01 0.21 0.07 3.21 0.00 0.00 0.00 176.54 180.02 3a2m h ARG 292 N 0.34 0.97 0.10 4.80 2.47 -1.11 -1.14 114.38 120.81 3a2m h ARG 292 Ca 0.10 -0.27 -0.01 0.00 -1.26 0.00 0.00 59.98 58.54 3a2m h ARG 292 Cb 0.11 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3a2m h ARG 292 CO -0.01 0.93 -0.05 0.77 0.56 0.00 0.00 179.97 182.17 3a2m h SER 293 N 0.86 -0.12 -0.47 7.04 0.02 -0.94 -1.91 113.55 118.03 3a2m h SER 293 Ca 0.17 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3a2m h SER 293 Cb 0.45 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3a2m h SER 293 CO 0.02 0.04 0.30 0.58 -1.14 0.00 0.00 176.83 176.62 3a2m h VAL 294 N -0.27 1.13 -0.32 2.27 2.07 -0.84 -1.63 116.25 118.66 3a2m h VAL 294 Ca -0.01 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3a2m h VAL 294 Cb 0.22 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3a2m h VAL 294 CO 0.02 0.13 0.21 0.00 0.02 0.00 0.00 177.57 177.95 3a2m h ALA 295 N 1.15 0.41 -0.40 1.67 0.00 -1.14 -0.57 119.26 120.38 3a2m h ALA 295 Ca 0.17 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3a2m h ALA 295 Cb -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3a2m h ALA 295 CO -0.03 -0.12 0.15 0.78 0.00 0.00 0.00 179.25 180.02 3a2m h GLY 296 N 0.43 0.52 0.93 0.00 0.00 -1.16 -1.55 103.07 102.23 3a2m h GLY 296 Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3a2m h GLY 296 CO -0.02 0.03 0.13 -0.25 0.00 0.00 0.00 176.54 176.43 3a2m h TRP 297 N 0.31 0.38 -0.44 5.60 7.01 -1.00 0.37 115.95 128.18 3a2m h TRP 297 Ca 0.18 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 3a2m h TRP 297 Cb 0.16 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.08 3a2m h TRP 297 CO -0.14 0.35 0.26 0.82 -2.79 0.00 0.00 178.44 176.93 3a2m h ILE 298 N 0.30 1.14 -0.81 2.65 2.04 -1.02 -0.86 117.51 120.96 3a2m h ILE 298 Ca 0.09 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.71 3a2m h ILE 298 Cb 0.11 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 3a2m h ILE 298 CO -0.01 0.15 0.46 0.00 0.00 0.00 0.00 178.15 178.75 3a2m h ALA 299 N 1.11 1.15 -0.09 1.87 0.00 -0.98 0.62 119.26 122.95 3a2m h ALA 299 Ca 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3a2m h ALA 299 Cb 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3a2m h ALA 299 CO -0.03 0.09 -0.01 0.78 0.00 0.00 0.00 179.25 180.08 3a2m h GLY 300 N 0.78 0.18 0.93 0.00 0.00 -0.50 -1.85 103.07 102.61 3a2m h GLY 300 Ca 0.39 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.59 3a2m h GLY 300 CO -0.24 0.13 0.23 -2.22 0.00 0.00 0.00 176.54 174.44 3a2m h ILE 301 N -0.14 1.06 0.00 2.60 2.04 -0.90 -2.74 117.51 119.42 3a2m h ILE 301 Ca 0.02 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 3a2m h ILE 301 Cb 0.40 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3a2m h ILE 301 CO 0.01 0.09 -0.36 -0.33 0.00 0.00 0.00 178.15 177.56 3a2m h GLU 302 N 0.48 0.00 -0.27 2.37 4.39 -0.86 0.15 114.58 120.84 3a2m h GLU 302 Ca 0.15 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.78 3a2m h GLU 302 Cb -0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3a2m h GLU 302 CO -0.06 0.36 -0.13 0.00 -1.16 0.00 0.00 179.01 178.01 3a2m h ALA 303 N 1.64 1.28 -0.00 3.43 0.00 -1.02 -3.32 119.26 121.27 3a2m h ALA 303 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3a2m h ALA 303 Cb 0.73 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3a2m h ALA 303 CO 0.05 0.48 -0.04 0.28 0.00 0.00 0.00 179.25 180.01 3a2m n VAL 304 N -4.21 0.00 1.71 0.00 0.31 -0.88 -5.11 118.33 110.14 3a2m n VAL 304 Ca 0.00 -0.48 0.14 0.00 -0.01 0.00 0.00 64.34 63.99 3a2m n VAL 304 Cb 0.32 1.04 0.81 0.00 -0.91 0.00 0.00 33.84 35.10 3a2m n VAL 304 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40