#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aaz h SER 14 N 0.00 0.22 -2.20 0.55 0.87 -2.03 -3.34 113.55 107.63 2aaz h SER 14 Ca 0.00 -0.06 -0.57 0.00 -1.23 0.00 0.00 61.79 59.93 2aaz h SER 14 Cb 0.00 -0.06 -0.38 0.00 -0.44 0.00 0.00 62.40 61.53 2aaz h SER 14 CO 0.00 0.47 -1.00 -3.20 -0.53 0.00 0.00 176.83 172.57 2aaz n ASN 15 N -4.18 -0.38 0.07 6.23 5.15 -1.26 -5.00 115.26 115.89 2aaz n ASN 15 Ca -0.01 -2.49 0.20 0.00 -0.60 0.00 0.00 54.58 51.68 2aaz n ASN 15 Cb 0.35 -0.50 0.74 0.00 -0.53 0.00 0.00 39.78 39.84 2aaz n ASN 15 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2aaz h PRO 16 N 5.10 0.00 -0.08 1.20 0.11 -2.04 -1.90 132.00 134.39 2aaz h PRO 16 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2aaz h PRO 16 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2aaz h PRO 16 CO 0.39 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.93 2aaz n ASP 17 N -3.96 1.37 -4.69 -2.05 8.00 -1.26 -4.89 116.55 109.08 2aaz n ASP 17 Ca 0.08 -1.55 -0.42 0.00 0.71 0.00 0.00 54.79 53.60 2aaz n ASP 17 Cb 0.58 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 2aaz n ASP 17 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2aaz n HIS 18 N 0.10 2.61 0.16 1.24 -0.00 -0.72 -4.84 115.22 113.77 2aaz n HIS 18 Ca 0.18 -0.18 0.19 0.00 0.46 0.00 0.00 57.72 58.36 2aaz n HIS 18 Cb 0.31 -2.74 0.79 0.00 -0.12 0.00 0.00 29.99 28.22 2aaz n HIS 18 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2aaz h GLU 19 N 8.86 0.00 0.00 1.57 5.08 -1.91 -1.59 114.58 126.59 2aaz h GLU 19 Ca -0.47 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 2aaz h GLU 19 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2aaz h GLU 19 CO 0.95 0.00 -0.07 1.49 -1.00 0.00 0.00 179.01 180.37 2aaz h GLU 20 N 0.00 0.00 0.00 2.33 4.81 -1.96 -2.28 114.58 117.47 2aaz h GLU 20 Ca 0.13 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2aaz h GLU 20 Cb 0.83 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 2aaz h GLU 20 CO -0.00 0.07 -0.03 1.88 -0.73 0.00 0.00 179.01 180.20 2aaz h TYR 21 N 0.00 0.00 -0.23 0.92 -1.99 -1.65 -1.11 116.97 112.92 2aaz h TYR 21 Ca -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2aaz h TYR 21 Cb 0.39 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 2aaz h TYR 21 CO 0.00 0.03 0.14 1.96 -0.00 0.00 0.00 178.16 180.29 2aaz h GLN 22 N 0.00 0.31 -0.12 4.88 4.20 -1.61 0.40 115.11 123.16 2aaz h GLN 22 Ca -0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2aaz h GLN 22 Cb 0.15 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2aaz h GLN 22 CO 0.00 0.24 0.02 -0.92 -0.67 0.00 0.00 178.83 177.50 2aaz h TYR 23 N 0.29 0.22 -0.44 2.96 5.03 -1.40 -2.23 116.97 121.41 2aaz h TYR 23 Ca 0.08 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 2aaz h TYR 23 Cb 0.01 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.21 2aaz h TYR 23 CO -0.05 0.40 0.19 -0.07 -1.32 0.00 0.00 178.16 177.30 2aaz h LEU 24 N -0.03 0.59 -0.81 2.82 3.38 -1.25 -2.52 115.31 117.49 2aaz h LEU 24 Ca 0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2aaz h LEU 24 Cb 0.30 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2aaz h LEU 24 CO 0.00 0.59 0.38 0.44 0.09 0.00 0.00 178.44 179.93 2aaz h ASP 25 N 0.57 1.08 -0.52 -0.43 3.45 -0.21 -1.64 116.42 118.72 2aaz h ASP 25 Ca 0.15 -0.14 -0.04 0.00 0.43 0.00 0.00 57.03 57.43 2aaz h ASP 25 Cb 0.17 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 2aaz h ASP 25 CO -0.01 0.92 0.18 0.25 -1.57 0.00 0.00 179.24 179.00 2aaz h LEU 26 N 1.16 0.74 -0.66 1.55 5.85 -1.27 -0.12 115.31 122.56 2aaz h LEU 26 Ca 0.28 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2aaz h LEU 26 Cb 0.14 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2aaz h LEU 26 CO -0.03 0.74 0.41 0.40 -0.34 0.00 0.00 178.44 179.62 2aaz h ILE 27 N 0.70 1.18 -0.57 4.05 2.04 -1.20 0.93 117.51 124.65 2aaz h ILE 27 Ca 0.17 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2aaz h ILE 27 Cb 0.25 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 2aaz h ILE 27 CO -0.01 0.19 0.35 -0.09 0.00 0.00 0.00 178.15 178.58 2aaz h ARG 28 N 0.90 0.77 -0.31 2.37 2.43 -0.92 -1.15 114.38 118.48 2aaz h ARG 28 Ca 0.24 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2aaz h ARG 28 Cb -0.06 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2aaz h ARG 28 CO -0.05 0.56 0.12 -0.09 -1.51 0.00 0.00 179.97 179.00 2aaz h ARG 29 N 0.77 0.46 -0.60 0.20 2.43 -0.46 -0.58 114.38 116.60 2aaz h ARG 29 Ca 0.20 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2aaz h ARG 29 Cb -0.02 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2aaz h ARG 29 CO -0.04 0.48 0.39 0.82 -1.51 0.00 0.00 179.97 180.12 2aaz h ILE 30 N 0.35 1.14 -0.69 1.20 2.04 -0.55 0.19 117.51 121.19 2aaz h ILE 30 Ca 0.10 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 2aaz h ILE 30 Cb 0.19 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 2aaz h ILE 30 CO -0.01 0.15 0.28 0.40 0.00 0.00 0.00 178.15 178.97 2aaz h ILE 31 N 0.80 1.24 0.36 -0.67 2.04 -1.04 0.23 117.51 120.48 2aaz h ILE 31 Ca 0.22 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2aaz h ILE 31 Cb -0.08 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2aaz h ILE 31 CO -0.05 0.30 -0.17 0.78 0.00 0.00 0.00 178.15 179.01 2aaz h ASN 32 N 0.98 -0.41 -0.13 1.72 -0.26 -0.53 -3.39 115.58 113.57 2aaz h ASN 32 Ca 0.23 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 2aaz h ASN 32 Cb 0.20 0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 2aaz h ASN 32 CO -0.02 0.04 0.00 1.33 -1.06 0.00 0.00 177.43 177.72 2aaz n VAL 33 N -5.11 0.74 -1.03 2.81 0.24 0.61 -5.05 118.33 111.55 2aaz n VAL 33 Ca -0.08 -0.87 -0.31 0.00 -2.04 0.00 0.00 64.34 61.04 2aaz n VAL 33 Cb 0.26 0.66 0.13 0.00 -1.47 0.00 0.00 33.84 33.42 2aaz n VAL 33 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2aaz s GLY 34 N -0.86 1.67 -0.16 7.63 0.00 0.82 -4.98 107.32 111.45 2aaz s GLY 34 Ca 0.10 0.37 -0.15 0.00 0.00 0.00 0.00 44.72 45.03 2aaz s GLY 34 CO 0.07 0.75 0.34 1.85 0.00 0.00 0.00 173.10 176.12 2aaz s GLU 35 N -4.80 4.26 -0.04 2.90 2.12 0.06 -4.68 118.70 118.52 2aaz s GLU 35 Ca 0.64 0.18 -0.30 0.00 0.36 0.00 0.00 54.97 55.84 2aaz s GLU 35 Cb -0.19 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 2aaz s GLU 35 CO 0.57 0.18 1.31 0.08 -0.54 0.00 0.00 175.26 176.86 2aaz s VAL 36 N 0.64 3.99 0.04 3.70 1.01 -1.26 -0.99 120.40 127.53 2aaz s VAL 36 Ca 0.19 1.33 -0.00 0.00 0.00 0.00 0.00 61.98 63.49 2aaz s VAL 36 Cb -0.14 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2aaz s VAL 36 CO 0.06 -0.01 -0.03 -0.13 0.00 0.00 0.00 175.10 174.98 2aaz s ARG 37 N 2.45 0.50 0.66 2.72 0.52 0.55 -4.99 118.95 121.35 2aaz s ARG 37 Ca 0.60 -0.98 -0.10 0.00 -0.52 0.00 0.00 55.73 54.74 2aaz s ARG 37 Cb -0.28 0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.34 2aaz s ARG 37 CO 0.24 -0.08 1.02 -2.14 0.02 0.00 0.00 175.30 174.36 2aaz s PRO 38 N -2.90 2.97 0.29 3.54 0.02 -1.26 -1.47 135.00 136.19 2aaz s PRO 38 Ca -0.02 0.34 -0.14 0.00 0.02 0.00 0.00 61.00 61.21 2aaz s PRO 38 Cb 0.00 -2.11 0.01 0.00 0.02 0.00 0.00 34.50 32.42 2aaz s PRO 38 CO -0.06 -0.87 0.58 0.16 -0.33 0.00 0.00 177.00 176.48 2aaz s ASP 39 N -4.32 0.03 0.26 2.53 -4.77 -1.26 -4.79 116.67 104.35 2aaz s ASP 39 Ca 0.56 -0.97 -0.01 0.00 -3.30 0.00 0.00 52.55 48.83 2aaz s ASP 39 Cb -0.11 0.67 0.52 0.00 -1.09 0.00 0.00 42.92 42.91 2aaz s ASP 39 CO 0.50 -1.29 1.78 -0.09 0.70 0.00 0.00 175.17 176.76 2aaz h ARG 40 N 2.14 0.67 0.00 2.11 2.43 -2.01 -2.46 114.38 117.25 2aaz h ARG 40 Ca -0.26 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 2aaz h ARG 40 Cb 1.25 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 2aaz h ARG 40 CO 0.34 0.44 -0.35 1.79 -1.51 0.00 0.00 179.97 180.68 2aaz h THR 41 N 0.69 0.93 0.00 0.20 1.35 -1.92 -3.47 112.91 110.68 2aaz h THR 41 Ca 0.46 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 2aaz h THR 41 Cb 0.61 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2aaz h THR 41 CO -0.34 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2aaz n GLY 42 N -0.02 0.90 0.11 5.82 0.00 -0.93 -4.91 105.19 106.16 2aaz n GLY 42 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2aaz n GLY 42 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2aaz h THR 43 N 0.00 0.67 0.00 2.61 1.35 -1.91 -3.48 112.91 112.15 2aaz h THR 43 Ca 0.00 -2.13 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 2aaz h THR 43 Cb 0.00 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2aaz h THR 43 CO 0.00 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 2aaz n GLY 44 N 1.34 -0.46 3.51 5.82 0.00 -1.26 -4.55 105.19 109.59 2aaz n GLY 44 Ca -0.05 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 2aaz n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aaz s THR 45 N -3.03 0.00 -0.08 2.61 -4.23 -0.54 -2.09 115.64 108.27 2aaz s THR 45 Ca 0.00 -1.54 0.04 0.00 -1.18 0.00 0.00 61.69 59.00 2aaz s THR 45 Cb 0.00 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.37 2aaz s THR 45 CO 0.00 0.00 -0.20 0.54 -0.54 0.00 0.00 174.62 174.42 2aaz s VAL 46 N -3.51 1.77 0.12 2.29 0.11 -0.71 -0.33 120.40 120.14 2aaz s VAL 46 Ca 0.28 -0.86 -0.06 0.00 -2.93 0.00 0.00 61.98 58.40 2aaz s VAL 46 Cb 0.00 -1.54 -0.02 0.00 -1.53 0.00 0.00 36.38 33.29 2aaz s VAL 46 CO 0.15 0.50 0.17 0.00 -3.33 0.00 0.00 175.10 172.58 2aaz s ALA 47 N 0.37 0.17 0.03 1.54 0.00 -0.16 -1.21 121.76 122.49 2aaz s ALA 47 Ca -0.16 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 50.87 2aaz s ALA 47 Cb -0.17 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 2aaz s ALA 47 CO 0.07 -0.54 -0.09 -0.51 0.00 0.00 0.00 175.76 174.69 2aaz s LEU 48 N -2.94 2.15 -0.14 0.00 1.43 -0.41 -0.76 118.68 118.00 2aaz s LEU 48 Ca 0.13 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 2aaz s LEU 48 Cb 0.05 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 2aaz s LEU 48 CO -0.04 -0.04 0.07 0.12 0.23 0.00 0.00 176.35 176.68 2aaz s PHE 49 N -0.82 3.33 -1.17 0.29 5.36 -1.26 -1.54 117.98 122.17 2aaz s PHE 49 Ca -0.03 0.23 -0.20 0.00 -0.96 0.00 0.00 56.93 55.98 2aaz s PHE 49 Cb -0.07 -1.97 -0.00 0.00 -0.34 0.00 0.00 43.02 40.64 2aaz s PHE 49 CO 0.00 0.40 0.75 0.00 -1.46 0.00 0.00 175.22 174.91 2aaz n ALA 50 N 2.76 -2.49 -1.71 11.12 0.00 -0.26 -4.98 120.51 124.95 2aaz n ALA 50 Ca -0.18 -0.27 -0.30 0.00 0.00 0.00 0.00 53.44 52.70 2aaz n ALA 50 Cb 0.53 -3.73 0.09 0.00 0.00 0.00 0.00 19.45 16.34 2aaz n ALA 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2aaz s PRO 51 N -6.15 2.04 0.40 0.00 0.04 -1.26 -4.94 135.00 125.13 2aaz s PRO 51 Ca 0.42 0.40 -0.24 0.00 0.04 0.00 0.00 61.00 61.62 2aaz s PRO 51 Cb -0.16 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 2aaz s PRO 51 CO 0.87 -1.60 0.87 -2.30 0.04 0.00 0.00 177.00 174.88 2aaz n PRO 52 N -3.38 1.09 -1.52 0.56 -0.02 -1.26 -4.59 135.00 125.89 2aaz n PRO 52 Ca 0.07 0.39 -0.31 0.00 -2.02 0.00 0.00 63.50 61.63 2aaz n PRO 52 Cb 0.58 -1.84 0.06 0.00 -0.02 0.00 0.00 33.50 32.28 2aaz n PRO 52 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2aaz s SER 53 N -0.79 5.02 0.08 2.55 1.04 -1.26 -4.87 113.70 115.46 2aaz s SER 53 Ca 0.63 1.78 -0.07 0.00 0.48 0.00 0.00 55.95 58.77 2aaz s SER 53 Cb -0.60 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 62.95 2aaz s SER 53 CO 0.57 -1.69 0.36 -0.36 0.98 0.00 0.00 173.24 173.10 2aaz s PHE 54 N -2.82 3.55 -0.06 5.02 0.08 -0.14 -4.91 117.98 118.70 2aaz s PHE 54 Ca 0.61 0.65 0.02 0.00 0.12 0.00 0.00 56.93 58.33 2aaz s PHE 54 Cb -0.16 -2.06 0.02 0.00 -0.57 0.00 0.00 43.02 40.24 2aaz s PHE 54 CO 0.51 0.52 -0.10 1.03 -0.10 0.00 0.00 175.22 177.08 2aaz s ARG 55 N -2.12 1.39 -0.06 0.44 0.52 -1.26 -0.77 118.95 117.09 2aaz s ARG 55 Ca 0.34 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 55.26 2aaz s ARG 55 Cb -0.13 -1.20 0.01 0.00 0.52 0.00 0.00 34.95 34.15 2aaz s ARG 55 CO 0.20 0.00 -0.11 -0.06 0.02 0.00 0.00 175.30 175.35 2aaz s PHE 56 N 0.70 1.29 0.15 -0.53 0.08 0.15 -4.98 117.98 114.85 2aaz s PHE 56 Ca -0.13 -0.45 -0.30 0.00 0.12 0.00 0.00 56.93 56.17 2aaz s PHE 56 Cb -0.15 -0.97 -0.07 0.00 -0.57 0.00 0.00 43.02 41.26 2aaz s PHE 56 CO 0.03 -0.25 1.01 0.45 -0.10 0.00 0.00 175.22 176.36 2aaz s SER 57 N 0.68 7.43 -0.00 1.36 0.15 -1.26 -0.89 113.70 121.17 2aaz s SER 57 Ca -0.13 1.92 0.10 0.00 0.70 0.00 0.00 55.95 58.54 2aaz s SER 57 Cb -0.15 -2.60 0.28 0.00 -1.71 0.00 0.00 66.02 61.85 2aaz s SER 57 CO 0.03 -0.09 1.24 0.18 1.20 0.00 0.00 173.24 175.79 2aaz n LEU 58 N 2.45 2.87 -4.78 3.45 4.77 0.11 -4.76 117.00 121.11 2aaz n LEU 58 Ca 0.02 -2.03 -0.31 0.00 -0.03 0.00 0.00 56.01 53.66 2aaz n LEU 58 Cb 0.48 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 41.43 2aaz n LEU 58 CO 0.52 0.71 0.71 0.00 -1.33 0.00 0.00 177.39 177.99 2aaz s ALA 59 N -1.05 2.38 -1.48 -1.18 0.00 -1.23 -3.54 121.76 115.66 2aaz s ALA 59 Ca 0.22 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 2aaz s ALA 59 Cb 0.12 -3.25 0.06 0.00 0.00 0.00 0.00 23.12 20.04 2aaz s ALA 59 CO 0.14 -1.58 1.00 -0.25 0.00 0.00 0.00 175.76 175.07 2aaz n ASP 60 N -3.32 -5.30 -1.97 0.00 8.00 -1.26 -1.98 116.55 110.72 2aaz n ASP 60 Ca 0.09 -0.67 -0.20 0.00 0.71 0.00 0.00 54.79 54.73 2aaz n ASP 60 Cb 0.53 -4.22 -0.05 0.00 -0.02 0.00 0.00 41.12 37.37 2aaz n ASP 60 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2aaz n ASN 61 N -2.84 -5.36 -4.75 -2.24 4.13 -1.24 -4.89 115.26 98.07 2aaz n ASN 61 Ca 0.02 0.26 -0.41 0.00 1.68 0.00 0.00 54.58 56.14 2aaz n ASN 61 Cb 0.54 -4.62 -0.04 0.00 -1.54 0.00 0.00 39.78 34.12 2aaz n ASN 61 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2aaz s THR 62 N -2.81 3.56 -0.22 3.41 2.01 -0.84 0.16 115.64 120.92 2aaz s THR 62 Ca 0.00 1.45 0.01 0.00 0.31 0.00 0.00 61.69 63.47 2aaz s THR 62 Cb 0.00 -3.93 0.05 0.00 0.01 0.00 0.00 72.50 68.63 2aaz s THR 62 CO 0.00 0.30 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.90 2aaz s LEU 63 N -0.94 2.61 -1.09 4.42 2.96 -0.75 -4.61 118.68 121.29 2aaz s LEU 63 Ca 0.48 -1.03 -0.16 0.00 -0.22 0.00 0.00 54.13 53.20 2aaz s LEU 63 Cb -0.32 -1.35 -0.07 0.00 0.50 0.00 0.00 46.19 44.95 2aaz s LEU 63 CO 0.39 -0.15 2.14 -0.81 -1.32 0.00 0.00 176.35 176.60 2aaz n PRO 64 N 4.60 2.21 -3.26 0.98 -0.04 -1.26 -3.85 135.00 134.39 2aaz n PRO 64 Ca -0.15 -2.06 -0.42 0.00 -0.04 0.00 0.00 63.50 60.83 2aaz n PRO 64 Cb 0.45 -2.96 -0.08 0.00 -0.04 0.00 0.00 33.50 30.88 2aaz n PRO 64 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2aaz s LEU 65 N 1.25 4.50 0.26 1.53 2.96 -1.26 -4.21 118.68 123.71 2aaz s LEU 65 Ca 0.53 -0.25 -0.29 0.00 -0.22 0.00 0.00 54.13 53.90 2aaz s LEU 65 Cb 0.14 -2.54 -0.15 0.00 0.50 0.00 0.00 46.19 44.15 2aaz s LEU 65 CO 0.01 -0.54 0.98 0.18 -1.32 0.00 0.00 176.35 175.67 2aaz n LEU 66 N 5.76 1.45 -0.00 -0.68 4.77 -1.26 -4.74 117.00 122.30 2aaz n LEU 66 Ca -0.05 1.17 0.05 0.00 -0.03 0.00 0.00 56.01 57.15 2aaz n LEU 66 Cb 0.48 -1.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.27 2aaz n LEU 66 CO 0.46 -1.54 -0.13 0.35 -1.33 0.00 0.00 177.39 175.20 2aaz n THR 67 N 0.39 0.00 1.48 -5.08 -2.24 -1.26 -4.49 114.28 103.08 2aaz n THR 67 Ca 0.11 -0.25 0.11 0.00 -2.27 0.00 0.00 64.05 61.75 2aaz n THR 67 Cb 0.30 0.87 0.63 0.00 -2.10 0.00 0.00 70.33 70.03 2aaz n THR 67 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2aaz n THR 68 N -1.36 0.00 -3.50 4.28 -2.24 -1.26 -0.94 114.28 109.26 2aaz n THR 68 Ca 0.01 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 2aaz n THR 68 Cb 0.19 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 67.80 2aaz n THR 68 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2aaz s LYS 69 N -2.00 1.03 -0.16 -0.78 -2.85 -1.26 -4.66 119.74 109.07 2aaz s LYS 69 Ca 0.32 -0.02 -0.29 0.00 -1.00 0.00 0.00 55.97 54.98 2aaz s LYS 69 Cb 0.15 0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 36.38 2aaz s LYS 69 CO 0.25 -0.38 1.25 0.50 0.10 0.00 0.00 175.35 177.07 2aaz s ARG 70 N -2.08 4.24 -0.14 1.78 3.52 -1.15 -4.59 118.95 120.53 2aaz s ARG 70 Ca -0.05 1.66 -0.10 0.00 -0.13 0.00 0.00 55.73 57.11 2aaz s ARG 70 Cb -0.00 -3.75 -0.05 0.00 -1.56 0.00 0.00 34.95 29.59 2aaz s ARG 70 CO 0.01 -0.68 0.18 0.08 -0.81 0.00 0.00 175.30 174.08 2aaz s VAL 71 N 3.39 5.40 -1.02 7.11 1.01 -1.26 -4.76 120.40 130.27 2aaz s VAL 71 Ca 0.55 0.31 -0.23 0.00 0.00 0.00 0.00 61.98 62.61 2aaz s VAL 71 Cb -0.22 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 32.55 2aaz s VAL 71 CO 0.15 0.53 1.92 0.33 0.00 0.00 0.00 175.10 178.03 2aaz n PHE 72 N 2.67 2.32 -0.12 5.22 -0.00 -1.26 -4.79 117.46 121.49 2aaz n PHE 72 Ca -0.17 -1.49 -0.05 0.00 -0.00 0.00 0.00 57.45 55.73 2aaz n PHE 72 Cb 0.53 -2.28 0.01 0.00 -0.00 0.00 0.00 39.48 37.75 2aaz n PHE 72 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2aaz h LEU 73 N 16.71 -0.67 -1.26 -2.13 5.85 -2.00 -1.19 115.31 130.63 2aaz h LEU 73 Ca 0.28 0.16 0.12 0.00 0.84 0.00 0.00 57.88 59.27 2aaz h LEU 73 Cb 0.85 0.36 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 2aaz h LEU 73 CO 1.47 -0.23 0.57 -0.09 -0.34 0.00 0.00 178.44 179.82 2aaz h ARG 74 N -0.12 0.75 -0.59 1.25 2.43 -2.00 -0.10 114.38 116.01 2aaz h ARG 74 Ca 0.20 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 2aaz h ARG 74 Cb 0.43 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2aaz h ARG 74 CO -0.49 0.49 0.05 0.78 -1.51 0.00 0.00 179.97 179.30 2aaz h GLY 75 N 0.77 1.06 0.80 2.80 0.00 -1.63 0.25 103.07 107.11 2aaz h GLY 75 Ca 0.42 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2aaz h GLY 75 CO -0.19 0.66 -0.07 -2.08 0.00 0.00 0.00 176.54 174.87 2aaz h VAL 76 N 0.92 0.97 -0.19 4.60 2.07 -0.49 -1.57 116.25 122.55 2aaz h VAL 76 Ca 0.18 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2aaz h VAL 76 Cb 0.46 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2aaz h VAL 76 CO 0.02 0.10 0.06 0.40 0.02 0.00 0.00 177.57 178.18 2aaz h ILE 77 N -0.39 0.95 -0.22 4.57 2.04 -1.15 -1.05 117.51 122.28 2aaz h ILE 77 Ca -0.02 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.82 2aaz h ILE 77 Cb 0.31 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2aaz h ILE 77 CO 0.03 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.21 2aaz h ALA 78 N 1.12 0.19 -0.77 1.87 0.00 -0.91 -0.71 119.26 120.05 2aaz h ALA 78 Ca 0.08 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2aaz h ALA 78 Cb 0.05 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2aaz h ALA 78 CO -0.08 -0.42 0.49 1.49 0.00 0.00 0.00 179.25 180.72 2aaz h GLU 79 N 0.07 0.92 -0.28 0.00 4.81 -1.07 -1.34 114.58 117.70 2aaz h GLU 79 Ca 0.10 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2aaz h GLU 79 Cb 0.12 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2aaz h GLU 79 CO -0.17 0.61 0.11 1.25 -0.73 0.00 0.00 179.01 180.08 2aaz h LEU 80 N 0.95 0.38 -1.70 1.64 5.85 -0.57 -0.19 115.31 121.68 2aaz h LEU 80 Ca 0.31 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2aaz h LEU 80 Cb 0.02 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2aaz h LEU 80 CO -0.11 0.45 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.19 2aaz h LEU 81 N 0.29 0.00 -0.16 2.25 3.38 -0.99 -1.05 115.31 119.04 2aaz h LEU 81 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2aaz h LEU 81 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2aaz h LEU 81 CO -0.01 0.18 -0.26 -0.25 0.09 0.00 0.00 178.44 178.19 2aaz h TRP 82 N 0.00 0.57 0.43 1.13 7.01 -0.72 -1.74 115.95 122.63 2aaz h TRP 82 Ca -0.00 -0.20 -0.02 0.00 2.11 0.00 0.00 58.89 60.78 2aaz h TRP 82 Cb 0.43 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.38 2aaz h TRP 82 CO 0.00 0.89 -0.24 0.74 -2.79 0.00 0.00 178.44 177.04 2aaz h PHE 83 N 0.08 -0.62 -1.00 2.65 0.04 -0.39 -2.63 116.94 115.07 2aaz h PHE 83 Ca 0.01 -0.01 0.21 0.00 2.80 0.00 0.00 57.97 60.98 2aaz h PHE 83 Cb 0.84 0.22 -0.10 0.00 2.20 0.00 0.00 35.95 39.10 2aaz h PHE 83 CO 0.09 -0.38 0.62 0.28 -0.60 0.00 0.00 178.31 178.32 2aaz h VAL 84 N -0.63 0.65 0.00 -0.55 2.07 -1.20 0.33 116.25 116.93 2aaz h VAL 84 Ca -0.05 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2aaz h VAL 84 Cb 0.50 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2aaz h VAL 84 CO 0.07 0.12 0.00 -1.54 0.02 0.00 0.00 177.57 176.24 2aaz n SER 85 N -4.75 0.70 0.00 0.57 3.41 -0.66 -4.85 113.62 108.04 2aaz n SER 85 Ca 0.24 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 2aaz n SER 85 Cb 0.65 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2aaz n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aaz n GLY 86 N -0.01 0.82 3.77 5.00 0.00 0.12 -5.01 105.19 109.87 2aaz n GLY 86 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2aaz n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aaz n THR 88 N 0.31 0.99 -3.33 0.00 -2.24 -1.26 -4.57 114.28 104.17 2aaz n THR 88 Ca 0.03 -1.11 -0.43 0.00 -2.27 0.00 0.00 64.05 60.27 2aaz n THR 88 Cb 0.48 0.34 -0.09 0.00 -2.10 0.00 0.00 70.33 68.96 2aaz n THR 88 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2aaz s ASP 89 N -1.45 6.19 0.61 3.42 3.68 -1.26 -2.54 116.67 125.32 2aaz s ASP 89 Ca 0.10 -0.63 0.38 0.00 2.13 0.00 0.00 52.55 54.53 2aaz s ASP 89 Cb 0.09 -2.22 1.99 0.00 -1.45 0.00 0.00 42.92 41.34 2aaz s ASP 89 CO 0.01 -0.55 2.24 0.00 0.13 0.00 0.00 175.17 177.00 2aaz h ALA 90 N 8.69 1.12 0.00 3.66 0.00 -1.14 -1.68 119.26 129.91 2aaz h ALA 90 Ca -0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2aaz h ALA 90 Cb 1.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2aaz h ALA 90 CO 0.78 0.03 -0.04 0.87 0.00 0.00 0.00 179.25 180.88 2aaz h LYS 91 N 0.00 0.00 0.00 0.00 1.79 -1.89 0.80 116.57 117.27 2aaz h LYS 91 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2aaz h LYS 91 Cb 0.15 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2aaz h LYS 91 CO 0.00 0.04 -0.04 0.52 -1.08 0.00 0.00 179.45 178.89 2aaz h MET 92 N 0.00 0.00 0.04 3.15 2.86 -1.69 -0.71 114.93 118.57 2aaz h MET 92 Ca -0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.32 2aaz h MET 92 Cb 0.21 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 2aaz h MET 92 CO 0.01 0.04 -1.75 1.28 1.06 0.00 0.00 176.91 177.54 2aaz n LEU 93 N -3.17 2.17 0.23 1.22 4.77 0.18 -4.11 117.00 118.30 2aaz n LEU 93 Ca 0.00 0.31 0.07 0.00 -0.03 0.00 0.00 56.01 56.36 2aaz n LEU 93 Cb 0.31 -0.98 0.55 0.00 -2.33 0.00 0.00 43.42 40.97 2aaz n LEU 93 CO 0.28 0.53 0.92 0.77 -1.33 0.00 0.00 177.39 178.57 2aaz h SER 94 N -0.63 0.00 0.79 -1.43 4.64 -0.37 -0.02 113.55 116.53 2aaz h SER 94 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 2aaz h SER 94 Cb 1.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2aaz h SER 94 CO -0.15 0.16 -0.12 0.77 -0.87 0.00 0.00 176.83 176.62 2aaz h SER 95 N 0.00 0.00 -0.47 4.97 4.64 -1.31 -1.95 113.55 119.43 2aaz h SER 95 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2aaz h SER 95 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 2aaz h SER 95 CO 0.02 0.12 0.05 0.00 -0.87 0.00 0.00 176.83 176.15 2aaz n GLN 96 N -3.33 3.77 -0.98 4.77 10.64 -0.57 -4.94 117.38 126.73 2aaz n GLN 96 Ca -0.00 -3.03 0.00 0.00 -1.83 0.00 0.00 57.00 52.13 2aaz n GLN 96 Cb 0.33 -2.08 0.00 0.00 -0.86 0.00 0.00 30.24 27.64 2aaz n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2aaz n GLY 97 N -0.06 0.43 3.07 2.61 0.00 -0.73 -5.04 105.19 105.47 2aaz n GLY 97 Ca 0.28 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 2aaz n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aaz s VAL 98 N -2.00 2.19 -0.22 1.61 1.01 -0.13 -4.97 120.40 117.89 2aaz s VAL 98 Ca 0.00 -1.65 0.15 0.00 0.00 0.00 0.00 61.98 60.47 2aaz s VAL 98 Cb 0.00 -2.30 0.61 0.00 0.00 0.00 0.00 36.38 34.69 2aaz s VAL 98 CO 0.00 -0.05 1.54 0.61 0.00 0.00 0.00 175.10 177.20 2aaz n GLY 99 N 4.43 3.87 0.30 4.51 0.00 -1.26 -1.68 105.19 115.37 2aaz n GLY 99 Ca -0.14 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 44.99 2aaz n GLY 99 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2aaz h ILE 100 N 2.26 0.71 -0.49 -0.61 3.07 -1.95 -1.10 117.51 119.40 2aaz h ILE 100 Ca 0.05 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.46 2aaz h ILE 100 Cb 1.67 0.93 0.00 0.00 -0.27 0.00 0.00 36.82 39.15 2aaz h ILE 100 CO 0.35 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 178.24 2aaz n TRP 101 N -4.15 0.65 -0.12 0.16 7.02 -1.26 -4.46 117.44 115.28 2aaz n TRP 101 Ca -0.00 -0.37 -0.04 0.00 -1.02 0.00 0.00 57.50 56.07 2aaz n TRP 101 Cb 0.21 -0.00 0.16 0.00 -2.42 0.00 0.00 31.31 29.25 2aaz n TRP 101 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2aaz h ASP 102 N 3.94 0.78 -0.22 -0.99 3.45 -1.52 -1.88 116.42 119.98 2aaz h ASP 102 Ca 0.00 -0.18 0.01 0.00 0.43 0.00 0.00 57.03 57.29 2aaz h ASP 102 Cb 0.93 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.48 2aaz h ASP 102 CO 0.00 0.82 0.13 1.23 -1.57 0.00 0.00 179.24 179.86 2aaz h GLY 103 N 0.98 0.30 0.46 2.75 0.00 -1.78 -1.58 103.07 104.21 2aaz h GLY 103 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2aaz h GLY 103 CO 0.01 0.10 -0.20 0.70 0.00 0.00 0.00 176.54 177.15 2aaz n ASN 104 N -4.96 0.84 -0.72 0.19 4.13 -1.19 -3.68 115.26 109.87 2aaz n ASN 104 Ca -0.03 -0.78 0.10 0.00 1.68 0.00 0.00 54.58 55.55 2aaz n ASN 104 Cb 0.04 0.06 0.07 0.00 -1.54 0.00 0.00 39.78 38.40 2aaz n ASN 104 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2aaz n GLY 105 N 1.32 0.44 3.76 7.41 0.00 -0.71 -4.51 105.19 112.90 2aaz n GLY 105 Ca 0.13 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 2aaz n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aaz s SER 106 N -1.73 5.04 0.19 1.61 1.04 -0.61 0.81 113.70 120.05 2aaz s SER 106 Ca 0.21 2.07 -0.12 0.00 0.48 0.00 0.00 55.95 58.60 2aaz s SER 106 Cb 0.16 -2.56 0.17 0.00 0.10 0.00 0.00 66.02 63.89 2aaz s SER 106 CO 0.29 -1.68 1.80 0.50 0.98 0.00 0.00 173.24 175.13 2aaz h LYS 107 N 0.11 0.58 -0.81 4.02 1.63 -1.93 -1.35 116.57 118.81 2aaz h LYS 107 Ca -0.47 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.35 2aaz h LYS 107 Cb 1.26 -0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 32.70 2aaz h LYS 107 CO 0.54 0.38 0.50 0.93 -3.45 0.00 0.00 179.45 178.35 2aaz h GLU 108 N 0.59 0.90 -0.13 1.90 3.07 -1.95 0.17 114.58 119.15 2aaz h GLU 108 Ca 0.25 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.97 2aaz h GLU 108 Cb 0.13 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 2aaz h GLU 108 CO -0.15 0.60 -0.23 0.35 -1.40 0.00 0.00 179.01 178.18 2aaz h PHE 109 N 0.93 0.47 -0.29 4.33 3.57 -1.73 -1.05 116.94 123.17 2aaz h PHE 109 Ca 0.35 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.72 2aaz h PHE 109 Cb 0.13 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 2aaz h PHE 109 CO -0.04 0.84 0.07 -0.07 -2.23 0.00 0.00 178.31 176.88 2aaz h LEU 110 N -0.03 0.03 -1.38 0.59 3.38 -0.78 -0.69 115.31 116.42 2aaz h LEU 110 Ca 0.01 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2aaz h LEU 110 Cb 0.81 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2aaz h LEU 110 CO 0.05 0.05 -0.00 -0.33 0.09 0.00 0.00 178.44 178.30 2aaz h GLU 111 N 0.18 0.40 -0.39 1.13 5.08 -0.69 0.30 114.58 120.59 2aaz h GLU 111 Ca 0.14 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2aaz h GLU 111 Cb 0.14 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2aaz h GLU 111 CO -0.17 0.43 0.04 -0.22 -1.00 0.00 0.00 179.01 178.10 2aaz h LYS 112 N 0.39 0.60 -0.64 2.33 3.64 0.21 -2.60 116.57 120.50 2aaz h LYS 112 Ca 0.09 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2aaz h LYS 112 Cb 0.27 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2aaz h LYS 112 CO 0.01 0.59 0.05 1.33 -2.27 0.00 0.00 179.45 179.15 2aaz n VAL 113 N -4.29 2.61 -1.06 2.00 0.24 -0.56 -4.92 118.33 112.36 2aaz n VAL 113 Ca 0.02 -1.34 -0.01 0.00 -2.04 0.00 0.00 64.34 60.97 2aaz n VAL 113 Cb 0.23 -0.31 -0.00 0.00 -1.47 0.00 0.00 33.84 32.28 2aaz n VAL 113 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aaz n GLY 114 N 0.46 0.44 2.13 7.63 0.00 -0.98 -4.95 105.19 109.91 2aaz n GLY 114 Ca 0.28 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 2aaz n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aaz n LEU 115 N -0.10 5.04 0.23 0.99 4.77 0.10 -4.81 117.00 123.22 2aaz n LEU 115 Ca -0.01 -4.81 0.16 0.00 -0.03 0.00 0.00 56.01 51.31 2aaz n LEU 115 Cb 0.04 -0.40 0.71 0.00 -2.33 0.00 0.00 43.42 41.44 2aaz n LEU 115 CO 0.01 2.10 0.96 1.23 -1.33 0.00 0.00 177.39 180.37 2aaz h GLY 116 N 2.25 0.00 1.60 -0.72 0.00 -1.80 -2.75 103.07 101.65 2aaz h GLY 116 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2aaz h GLY 116 CO 0.82 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.97 2aaz n HIS 117 N -2.71 0.00 -3.74 5.60 1.44 -1.26 -4.81 115.22 109.74 2aaz n HIS 117 Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 2aaz n HIS 117 Cb 0.20 -0.30 -0.04 0.00 0.12 0.00 0.00 29.99 29.97 2aaz n HIS 117 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2aaz s ARG 118 N -2.60 3.56 0.59 -1.40 0.52 -1.04 -5.08 118.95 113.51 2aaz s ARG 118 Ca 0.22 -0.20 -0.15 0.00 -0.52 0.00 0.00 55.73 55.07 2aaz s ARG 118 Cb 0.16 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 2aaz s ARG 118 CO 0.37 0.50 1.04 -0.98 0.02 0.00 0.00 175.30 176.25 2aaz s ARG 119 N -2.66 3.43 0.24 3.54 1.70 -1.26 -4.95 118.95 118.99 2aaz s ARG 119 Ca 0.39 1.10 -0.31 0.00 -0.47 0.00 0.00 55.73 56.44 2aaz s ARG 119 Cb -0.12 -2.05 -0.13 0.00 -0.57 0.00 0.00 34.95 32.07 2aaz s ARG 119 CO 0.26 -0.71 1.44 -1.91 -1.08 0.00 0.00 175.30 173.29 2aaz n GLU 120 N -2.08 2.12 0.00 3.89 2.13 -1.26 -1.93 120.64 123.51 2aaz n GLU 120 Ca 0.08 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.66 2aaz n GLU 120 Cb 0.53 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.81 2aaz n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2aaz n GLY 121 N 2.19 2.45 3.51 8.31 0.00 0.24 -4.85 105.19 117.04 2aaz n GLY 121 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2aaz n GLY 121 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aaz s ASP 122 N -1.48 6.41 0.40 1.61 -1.08 -0.81 -0.48 116.67 121.23 2aaz s ASP 122 Ca 0.00 -1.31 0.28 0.00 -0.52 0.00 0.00 52.55 51.00 2aaz s ASP 122 Cb 0.00 -2.50 1.05 0.00 -1.46 0.00 0.00 42.92 40.01 2aaz s ASP 122 CO 0.00 -1.46 1.82 -0.07 0.52 0.00 0.00 175.17 175.98 2aaz h LEU 123 N 12.01 0.00 0.00 -1.34 3.38 -1.82 -3.46 115.31 124.08 2aaz h LEU 123 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2aaz h LEU 123 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2aaz h LEU 123 CO 1.28 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.42 2aaz n GLY 124 N 0.29 -1.57 2.50 0.83 0.00 -1.26 -1.15 105.19 104.84 2aaz n GLY 124 Ca 0.02 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 2aaz n GLY 124 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aaz n PRO 125 N 0.00 2.92 -1.05 1.61 -0.04 -1.26 -4.78 135.00 132.40 2aaz n PRO 125 Ca 0.00 -1.94 -0.10 0.00 -0.04 0.00 0.00 63.50 61.42 2aaz n PRO 125 Cb 0.00 -2.72 0.06 0.00 -0.04 0.00 0.00 33.50 30.80 2aaz n PRO 125 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2aaz n VAL 126 N 4.07 0.00 0.00 0.52 0.24 -1.26 -4.48 118.33 117.42 2aaz n VAL 126 Ca 0.62 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 2aaz n VAL 126 Cb 0.22 -1.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.09 2aaz n VAL 126 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2aaz n TYR 127 N -2.31 0.00 -0.31 6.34 4.01 -1.26 -0.46 117.16 123.16 2aaz n TYR 127 Ca 0.06 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.95 2aaz n TYR 127 Cb 0.22 0.00 0.33 0.00 -0.31 0.00 0.00 39.34 39.58 2aaz n TYR 127 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2aaz h GLY 128 N 0.00 1.62 0.94 2.72 0.00 -1.81 -0.71 103.07 105.83 2aaz h GLY 128 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 2aaz h GLY 128 CO 0.00 -0.28 0.05 -2.75 0.00 0.00 0.00 176.54 173.56 2aaz h PHE 129 N 0.42 0.71 -0.57 5.60 3.04 -0.76 -2.36 116.94 123.02 2aaz h PHE 129 Ca 0.58 -0.10 -0.09 0.00 3.98 0.00 0.00 57.97 62.34 2aaz h PHE 129 Cb 1.13 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.42 2aaz h PHE 129 CO -0.11 0.71 0.02 1.96 -2.02 0.00 0.00 178.31 178.86 2aaz h GLN 130 N 0.51 0.99 -0.75 1.11 1.08 -1.10 0.43 115.11 117.40 2aaz h GLN 130 Ca 0.12 -0.31 0.05 0.00 -1.45 0.00 0.00 58.65 57.07 2aaz h GLN 130 Cb 0.39 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.67 2aaz h GLN 130 CO 0.01 0.98 0.45 -1.49 -0.95 0.00 0.00 178.83 177.83 2aaz h TRP 131 N 0.88 0.82 0.00 2.96 4.06 -1.03 -2.26 115.95 121.39 2aaz h TRP 131 Ca 0.16 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.14 2aaz h TRP 131 Cb 0.52 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 2aaz h TRP 131 CO 0.04 0.42 -1.35 0.54 -3.56 0.00 0.00 178.44 174.53 2aaz n ARG 132 N -4.70 1.03 -2.16 0.49 5.12 -0.90 -1.15 116.66 114.39 2aaz n ARG 132 Ca 0.10 -0.09 0.02 0.00 -1.93 0.00 0.00 57.85 55.94 2aaz n ARG 132 Cb 0.16 -1.32 0.04 0.00 -1.16 0.00 0.00 32.46 30.18 2aaz n ARG 132 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2aaz n HIS 133 N -1.79 0.67 -1.64 -1.55 8.25 0.15 -3.30 115.22 116.01 2aaz n HIS 133 Ca -0.01 -1.36 -0.49 0.00 -0.26 0.00 0.00 57.72 55.61 2aaz n HIS 133 Cb 0.35 -0.19 -0.05 0.00 1.12 0.00 0.00 29.99 31.21 2aaz n HIS 133 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2aaz n PHE 134 N -0.09 1.94 0.00 4.41 -0.00 -0.85 -1.09 117.46 121.78 2aaz n PHE 134 Ca 0.07 0.43 0.00 0.00 -0.00 0.00 0.00 57.45 57.95 2aaz n PHE 134 Cb 0.97 -2.45 0.00 0.00 -0.00 0.00 0.00 39.48 37.99 2aaz n PHE 134 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2aaz n GLY 135 N 3.05 3.24 3.74 7.13 0.00 -1.26 -0.52 105.19 120.57 2aaz n GLY 135 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2aaz n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aaz s ALA 136 N -2.40 2.18 -0.06 4.61 0.00 -0.25 -4.90 121.76 120.95 2aaz s ALA 136 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 2aaz s ALA 136 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2aaz s ALA 136 CO 0.00 -1.75 1.01 -2.00 0.00 0.00 0.00 175.76 173.01 2aaz s GLU 137 N -4.14 4.48 -0.14 0.00 2.12 -1.26 -5.02 118.70 114.73 2aaz s GLU 137 Ca 0.70 1.42 -0.14 0.00 0.36 0.00 0.00 54.97 57.31 2aaz s GLU 137 Cb -0.24 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.59 2aaz s GLU 137 CO 0.46 -0.21 0.30 -0.47 -0.54 0.00 0.00 175.26 174.80 2aaz s TYR 138 N 1.60 3.50 0.00 5.30 5.04 -1.26 -4.98 117.35 126.54 2aaz s TYR 138 Ca 0.50 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.77 2aaz s TYR 138 Cb -0.20 -2.32 0.00 0.00 0.35 0.00 0.00 41.96 39.79 2aaz s TYR 138 CO 0.22 0.31 0.00 0.25 -1.34 0.00 0.00 175.55 174.99 2aaz n THR 139 N 3.31 0.00 -4.04 4.34 -2.24 -1.26 -5.09 114.28 109.30 2aaz n THR 139 Ca -0.12 0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 2aaz n THR 139 Cb 0.52 -1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 2aaz n THR 139 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2aaz n ASP 140 N -1.84 -0.52 0.05 3.42 3.85 -1.26 -5.03 116.55 115.21 2aaz n ASP 140 Ca 0.00 -2.14 0.10 0.00 -0.71 0.00 0.00 54.79 52.03 2aaz n ASP 140 Cb 0.00 1.09 0.41 0.00 -1.35 0.00 0.00 41.12 41.27 2aaz n ASP 140 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2aaz n ALA 141 N -1.74 1.78 1.19 2.12 0.00 -1.26 -2.39 120.51 120.20 2aaz n ALA 141 Ca -0.07 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.48 2aaz n ALA 141 Cb 0.33 -1.32 0.26 0.00 0.00 0.00 0.00 19.45 18.71 2aaz n ALA 141 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2aaz n ASP 142 N -1.78 1.74 -4.61 0.00 10.43 -1.26 -4.79 116.55 116.28 2aaz n ASP 142 Ca 0.04 -1.38 -0.35 0.00 2.57 0.00 0.00 54.79 55.66 2aaz n ASP 142 Cb 0.22 0.18 0.10 0.00 1.84 0.00 0.00 41.12 43.46 2aaz n ASP 142 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2aaz n GLY 143 N 1.33 -0.49 3.41 0.44 0.00 -1.01 -4.94 105.19 103.94 2aaz n GLY 143 Ca 0.13 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 2aaz n GLY 143 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aaz s ASP 144 N -1.77 6.20 0.00 1.61 2.15 -1.26 -4.87 116.67 118.73 2aaz s ASP 144 Ca 0.72 -1.15 0.13 0.00 0.43 0.00 0.00 52.55 52.68 2aaz s ASP 144 Cb -0.32 -2.29 0.16 0.00 -0.30 0.00 0.00 42.92 40.17 2aaz s ASP 144 CO 0.52 -0.99 1.01 -1.22 -0.17 0.00 0.00 175.17 174.32 2aaz n TYR 145 N 6.22 0.12 -1.66 -5.34 4.01 -1.26 -4.95 117.16 114.30 2aaz n TYR 145 Ca -0.08 -0.11 -0.48 0.00 -0.16 0.00 0.00 57.90 57.07 2aaz n TYR 145 Cb 0.44 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.42 2aaz n TYR 145 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2aaz n LYS 146 N 0.75 1.94 -0.96 -0.72 4.81 -1.26 -0.36 118.16 122.35 2aaz n LYS 146 Ca 0.09 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2aaz n LYS 146 Cb 0.36 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 32.94 2aaz n LYS 146 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2aaz n GLY 147 N 3.63 0.55 3.65 3.14 0.00 -1.26 -5.01 105.19 109.88 2aaz n GLY 147 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2aaz n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aaz s LYS 148 N -0.35 2.76 0.30 1.61 1.02 0.51 -5.02 119.74 120.58 2aaz s LYS 148 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.40 2aaz s LYS 148 Cb 0.00 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 2aaz s LYS 148 CO 0.00 0.64 0.00 0.41 -0.92 0.00 0.00 175.35 175.48 2aaz n GLY 149 N 1.64 -2.17 3.68 -3.33 0.00 -1.26 -4.37 105.19 99.39 2aaz n GLY 149 Ca -0.16 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 2aaz n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aaz s VAL 150 N -0.86 5.15 -1.05 1.61 1.01 0.32 -4.74 120.40 121.85 2aaz s VAL 150 Ca 0.00 0.89 -0.17 0.00 0.00 0.00 0.00 61.98 62.70 2aaz s VAL 150 Cb 0.00 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.72 2aaz s VAL 150 CO 0.00 0.23 1.26 -0.62 0.00 0.00 0.00 175.10 175.97 2aaz s ASP 151 N 1.01 6.81 0.23 3.32 3.68 -1.21 -2.05 116.67 128.45 2aaz s ASP 151 Ca 0.23 -2.42 -0.08 0.00 2.13 0.00 0.00 52.55 52.41 2aaz s ASP 151 Cb -0.15 -2.40 0.20 0.00 -1.45 0.00 0.00 42.92 39.11 2aaz s ASP 151 CO 0.09 -0.94 1.87 1.56 0.13 0.00 0.00 175.17 177.88 2aaz h GLN 152 N 8.16 1.19 -0.06 4.34 4.20 -1.39 -2.69 115.11 128.86 2aaz h GLN 152 Ca 0.22 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2aaz h GLN 152 Cb 0.96 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 2aaz h GLN 152 CO 1.17 0.84 0.04 1.25 -0.67 0.00 0.00 178.83 181.46 2aaz h LEU 153 N 1.20 0.08 -1.11 1.46 5.85 -1.85 -0.55 115.31 120.39 2aaz h LEU 153 Ca 0.31 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 2aaz h LEU 153 Cb -0.04 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2aaz h LEU 153 CO -0.06 0.10 -0.25 -0.61 -0.34 0.00 0.00 178.44 177.28 2aaz h GLN 154 N 0.04 0.31 -0.65 1.25 5.75 -1.87 -1.93 115.11 118.02 2aaz h GLN 154 Ca 0.02 -0.11 -0.06 0.00 -0.15 0.00 0.00 58.65 58.35 2aaz h GLN 154 Cb 0.04 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 2aaz h GLN 154 CO -0.00 0.55 0.15 -0.09 -2.65 0.00 0.00 178.83 176.78 2aaz h ARG 155 N 0.28 1.02 -0.16 1.69 9.65 -1.16 -0.39 114.38 125.32 2aaz h ARG 155 Ca 0.04 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 2aaz h ARG 155 Cb 0.60 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 2aaz h ARG 155 CO 0.04 0.91 0.10 0.28 2.80 0.00 0.00 179.97 184.10 2aaz h VAL 156 N 0.97 1.05 0.19 0.20 2.07 -0.46 0.13 116.25 120.41 2aaz h VAL 156 Ca 0.20 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2aaz h VAL 156 Cb 0.35 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2aaz h VAL 156 CO 0.00 0.05 -0.21 0.40 0.02 0.00 0.00 177.57 177.83 2aaz h ILE 157 N 0.20 0.53 -0.86 4.57 1.08 -0.96 -1.05 117.51 121.03 2aaz h ILE 157 Ca 0.06 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.59 2aaz h ILE 157 Cb -0.00 0.53 -0.06 0.00 -3.07 0.00 0.00 36.82 34.22 2aaz h ILE 157 CO -0.01 0.00 0.53 0.44 -0.69 0.00 0.00 178.15 178.42 2aaz h ASP 158 N -0.45 0.84 -0.48 1.72 3.45 -0.95 -2.26 116.42 118.30 2aaz h ASP 158 Ca 0.00 0.02 -0.10 0.00 0.43 0.00 0.00 57.03 57.38 2aaz h ASP 158 Cb 0.43 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 2aaz h ASP 158 CO -0.06 0.54 -0.11 0.74 -1.57 0.00 0.00 179.24 178.77 2aaz h THR 159 N 0.98 1.27 -0.74 0.35 2.02 -0.73 -0.61 112.91 115.44 2aaz h THR 159 Ca 0.37 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 2aaz h THR 159 Cb 0.16 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 2aaz h THR 159 CO -0.17 0.43 0.32 0.40 0.37 0.00 0.00 175.52 176.87 2aaz h ILE 160 N 0.76 1.24 0.03 3.11 2.04 -0.95 0.33 117.51 124.08 2aaz h ILE 160 Ca 0.12 -0.74 -0.27 0.00 1.00 0.00 0.00 64.86 64.97 2aaz h ILE 160 Cb 0.66 0.34 0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2aaz h ILE 160 CO 0.05 0.30 -1.10 0.11 0.00 0.00 0.00 178.15 177.51 2aaz h LYS 161 N 1.06 0.67 0.00 2.37 1.57 -1.31 -3.32 116.57 117.62 2aaz h LYS 161 Ca 0.25 -0.77 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2aaz h LYS 161 Cb 0.17 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2aaz h LYS 161 CO -0.03 1.34 -1.41 0.09 -0.57 0.00 0.00 179.45 178.87 2aaz n ASN 162 N -3.83 1.22 -2.89 0.86 3.02 -0.25 -4.77 115.26 108.62 2aaz n ASN 162 Ca -0.12 -0.26 -0.12 0.00 -0.03 0.00 0.00 54.58 54.05 2aaz n ASN 162 Cb 0.91 1.50 0.04 0.00 -0.61 0.00 0.00 39.78 41.62 2aaz n ASN 162 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2aaz n ASN 163 N -1.83 -1.40 -0.19 6.41 5.15 0.11 -5.02 115.26 118.49 2aaz n ASN 163 Ca -0.01 -3.39 0.27 0.00 -0.60 0.00 0.00 54.58 50.85 2aaz n ASN 163 Cb 0.35 1.05 0.69 0.00 -0.53 0.00 0.00 39.78 41.35 2aaz n ASN 163 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2aaz h PRO 164 N 3.23 0.07 -0.02 1.20 0.13 -1.47 -0.99 132.00 134.14 2aaz h PRO 164 Ca -0.04 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2aaz h PRO 164 Cb 1.04 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2aaz h PRO 164 CO 0.28 0.04 0.00 0.25 -0.23 0.00 0.00 178.00 178.35 2aaz n THR 165 N -4.31 0.02 -1.65 1.56 -2.24 -1.26 -4.24 114.28 102.15 2aaz n THR 165 Ca 0.19 -0.09 -0.39 0.00 -2.27 0.00 0.00 64.05 61.49 2aaz n THR 165 Cb 0.92 -0.14 0.04 0.00 -2.10 0.00 0.00 70.33 69.05 2aaz n THR 165 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2aaz n ASP 166 N -0.55 1.40 -0.93 3.42 -0.08 -0.38 -4.90 116.55 114.52 2aaz n ASP 166 Ca 0.20 0.89 0.08 0.00 -1.51 0.00 0.00 54.79 54.44 2aaz n ASP 166 Cb 0.17 -1.44 0.24 0.00 2.34 0.00 0.00 41.12 42.44 2aaz n ASP 166 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2aaz n ARG 167 N -0.85 3.09 -0.49 -0.67 1.74 -1.26 -4.52 116.66 113.70 2aaz n ARG 167 Ca 0.12 -2.62 0.07 0.00 -0.77 0.00 0.00 57.85 54.65 2aaz n ARG 167 Cb 0.45 -1.69 0.19 0.00 -1.02 0.00 0.00 32.46 30.39 2aaz n ARG 167 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2aaz n ARG 168 N 0.02 1.54 -2.23 5.56 3.00 -1.26 -4.92 116.66 118.37 2aaz n ARG 168 Ca 0.19 -3.15 -0.42 0.00 -0.01 0.00 0.00 57.85 54.47 2aaz n ARG 168 Cb 0.76 -1.60 -0.01 0.00 0.00 0.00 0.00 32.46 31.62 2aaz n ARG 168 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2aaz n ILE 169 N -1.19 3.57 -4.74 0.55 5.41 -1.26 -4.90 119.36 116.80 2aaz n ILE 169 Ca 0.19 -3.53 -0.32 0.00 1.00 0.00 0.00 62.75 60.09 2aaz n ILE 169 Cb 0.69 -2.42 -0.12 0.00 -0.71 0.00 0.00 39.64 37.08 2aaz n ILE 169 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2aaz s ILE 170 N 4.42 3.12 -0.21 1.39 -1.09 -1.26 -1.51 121.20 126.06 2aaz s ILE 170 Ca 0.53 -0.85 -0.00 0.00 -2.23 0.00 0.00 60.65 58.09 2aaz s ILE 170 Cb 0.07 -2.27 0.05 0.00 -1.58 0.00 0.00 42.46 38.73 2aaz s ILE 170 CO 0.03 0.48 -0.04 -0.22 -1.23 0.00 0.00 174.94 173.97 2aaz s LEU 171 N -1.06 2.03 0.02 2.97 2.96 -0.67 -4.87 118.68 120.06 2aaz s LEU 171 Ca 0.13 -0.97 0.04 0.00 -0.22 0.00 0.00 54.13 53.11 2aaz s LEU 171 Cb -0.11 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 2aaz s LEU 171 CO 0.03 -0.24 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.17 2aaz s SER 172 N 1.55 1.30 0.00 3.68 0.15 -1.26 -0.92 113.70 118.20 2aaz s SER 172 Ca -0.03 -0.37 0.11 0.00 0.70 0.00 0.00 55.95 56.36 2aaz s SER 172 Cb -0.18 -0.08 -0.06 0.00 -1.71 0.00 0.00 66.02 63.99 2aaz s SER 172 CO -0.07 0.02 0.57 0.00 1.20 0.00 0.00 173.24 174.95 2aaz n ALA 173 N 2.16 3.16 -2.18 5.45 0.00 -0.63 -4.35 120.51 124.12 2aaz n ALA 173 Ca -0.17 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 2aaz n ALA 173 Cb 0.55 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 2aaz n ALA 173 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2aaz s TRP 174 N -1.75 2.77 -0.32 0.00 -0.11 -1.17 -4.82 118.94 113.53 2aaz s TRP 174 Ca 0.07 0.74 0.00 0.00 1.22 0.00 0.00 56.10 58.13 2aaz s TRP 174 Cb 0.09 -3.71 0.14 0.00 -1.50 0.00 0.00 33.47 28.49 2aaz s TRP 174 CO 0.37 -2.65 0.29 1.21 -4.62 0.00 0.00 176.95 171.54 2aaz s ASN 175 N 2.00 1.87 0.45 5.86 3.84 -1.26 -5.02 114.94 122.68 2aaz s ASN 175 Ca 0.65 -1.20 0.21 0.00 0.21 0.00 0.00 52.86 52.73 2aaz s ASN 175 Cb -0.32 0.34 1.19 0.00 -0.55 0.00 0.00 41.25 41.90 2aaz s ASN 175 CO 0.27 -0.35 1.86 -0.65 -2.79 0.00 0.00 177.10 175.44 2aaz h PRO 176 N 7.80 0.29 -0.23 0.43 0.11 -2.01 -1.43 132.00 136.96 2aaz h PRO 176 Ca -0.07 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.85 2aaz h PRO 176 Cb 1.05 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2aaz h PRO 176 CO 0.30 0.19 -0.56 -0.22 -0.21 0.00 0.00 178.00 177.50 2aaz h LYS 177 N 0.30 0.78 0.00 1.05 3.64 -2.02 -3.30 116.57 117.02 2aaz h LYS 177 Ca 0.47 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2aaz h LYS 177 Cb 1.33 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2aaz h LYS 177 CO -0.14 1.16 -0.24 -0.25 -2.27 0.00 0.00 179.45 177.71 2aaz n ASP 178 N -4.07 0.75 -0.33 4.20 8.00 -0.66 -4.43 116.55 120.02 2aaz n ASP 178 Ca -0.06 0.39 -0.00 0.00 0.71 0.00 0.00 54.79 55.83 2aaz n ASP 178 Cb 0.63 -0.42 0.06 0.00 -0.02 0.00 0.00 41.12 41.36 2aaz n ASP 178 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2aaz h LEU 179 N 0.00 -1.21 -2.30 0.64 3.38 -1.38 0.19 115.31 114.62 2aaz h LEU 179 Ca 0.00 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2aaz h LEU 179 Cb 0.73 0.67 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2aaz h LEU 179 CO 0.00 -0.30 0.00 1.55 0.09 0.00 0.00 178.44 179.78 2aaz h PRO 180 N -0.03 0.00 -0.00 1.13 0.13 -1.83 -0.69 132.00 130.71 2aaz h PRO 180 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 2aaz h PRO 180 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2aaz h PRO 180 CO -0.91 0.00 -0.30 1.28 -0.23 0.00 0.00 178.00 177.84 2aaz n LEU 181 N -2.75 0.58 -4.78 1.56 4.77 0.65 -4.87 117.00 112.16 2aaz n LEU 181 Ca -0.02 -0.01 -0.38 0.00 -0.03 0.00 0.00 56.01 55.56 2aaz n LEU 181 Cb 0.07 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 2aaz n LEU 181 CO 0.16 0.12 0.18 -0.04 -1.33 0.00 0.00 177.39 176.48 2aaz s MET 182 N -2.76 4.16 0.42 3.23 -1.94 -0.27 -4.26 119.30 117.89 2aaz s MET 182 Ca 0.19 0.52 0.10 0.00 -1.71 0.00 0.00 55.69 54.79 2aaz s MET 182 Cb 0.19 -3.31 0.91 0.00 2.01 0.00 0.00 34.83 34.63 2aaz s MET 182 CO 0.59 0.47 2.02 0.00 -0.01 0.00 0.00 175.02 178.08 2aaz h ALA 183 N 5.45 1.68 -2.74 3.03 0.00 -1.43 -3.42 119.26 121.84 2aaz h ALA 183 Ca -0.47 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 2aaz h ALA 183 Cb 1.20 -0.10 -0.25 0.00 0.00 0.00 0.00 17.79 18.65 2aaz h ALA 183 CO 0.67 0.25 -0.26 -1.17 0.00 0.00 0.00 179.25 178.74 2aaz s LEU 184 N -9.11 0.33 0.55 0.00 2.96 -1.26 -5.05 118.68 107.10 2aaz s LEU 184 Ca -0.06 0.82 -0.19 0.00 -0.22 0.00 0.00 54.13 54.48 2aaz s LEU 184 Cb 0.16 1.36 -0.05 0.00 0.50 0.00 0.00 46.19 48.16 2aaz s LEU 184 CO 0.72 -0.15 1.11 -2.84 -1.32 0.00 0.00 176.35 173.86 2aaz s PRO 185 N 0.53 3.36 0.18 0.98 0.02 -1.26 -4.93 135.00 133.87 2aaz s PRO 185 Ca -0.03 1.52 -0.33 0.00 0.02 0.00 0.00 61.00 62.18 2aaz s PRO 185 Cb -0.04 -2.02 -0.14 0.00 0.02 0.00 0.00 34.50 32.32 2aaz s PRO 185 CO -0.03 -0.82 1.43 -2.30 -0.33 0.00 0.00 177.00 174.95 2aaz n PRO 186 N -1.42 1.82 -0.08 5.54 -0.02 -1.26 -4.92 135.00 134.66 2aaz n PRO 186 Ca 0.11 0.65 -0.14 0.00 -2.02 0.00 0.00 63.50 62.10 2aaz n PRO 186 Cb 0.51 -2.33 -0.08 0.00 -0.02 0.00 0.00 33.50 31.58 2aaz n PRO 186 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aaz s HIS 188 N -2.23 2.76 -0.51 0.00 0.00 -1.26 -1.21 115.29 112.84 2aaz s HIS 188 Ca -0.21 -0.82 0.24 0.00 -3.00 0.00 0.00 55.06 51.27 2aaz s HIS 188 Cb 0.03 -4.38 0.48 0.00 -4.00 0.00 0.00 32.58 24.71 2aaz s HIS 188 CO 0.45 -1.68 1.66 0.00 -1.00 0.00 0.00 174.74 174.17 2aaz h MET 189 N 9.40 0.00 -1.22 -0.38 3.00 -1.69 -3.44 114.93 120.61 2aaz h MET 189 Ca -0.07 0.00 0.33 0.00 0.00 0.00 0.00 59.70 59.96 2aaz h MET 189 Cb 1.04 0.00 -0.17 0.00 0.00 0.00 0.00 31.60 32.48 2aaz h MET 189 CO 1.20 0.00 0.91 -0.59 0.00 0.00 0.00 176.91 178.44 2aaz s PHE 190 N -3.19 -0.04 0.08 -0.10 -0.12 -1.24 -1.60 117.98 111.77 2aaz s PHE 190 Ca 0.08 0.01 -0.09 0.00 -0.05 0.00 0.00 56.93 56.88 2aaz s PHE 190 Cb 0.07 0.51 -0.00 0.00 -0.63 0.00 0.00 43.02 42.97 2aaz s PHE 190 CO 0.65 -0.11 0.18 0.00 -0.05 0.00 0.00 175.22 175.89 2aaz s GLN 192 N -3.76 1.48 0.08 0.00 0.74 0.88 -1.67 119.66 117.41 2aaz s GLN 192 Ca 0.04 -0.49 0.01 0.00 0.05 0.00 0.00 55.36 54.98 2aaz s GLN 192 Cb 0.04 -1.31 -0.04 0.00 1.10 0.00 0.00 33.01 32.81 2aaz s GLN 192 CO -0.10 0.18 0.17 -0.06 -0.55 0.00 0.00 175.29 174.93 2aaz s PHE 193 N 0.14 3.40 -0.01 1.67 0.40 -0.57 -0.86 117.98 122.15 2aaz s PHE 193 Ca -0.04 0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.47 2aaz s PHE 193 Cb -0.11 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.73 2aaz s PHE 193 CO 0.02 0.56 -0.03 0.12 0.70 0.00 0.00 175.22 176.58 2aaz s PHE 194 N -1.50 0.35 -0.18 0.36 2.19 -0.53 -4.63 117.98 114.06 2aaz s PHE 194 Ca 0.33 -0.06 0.01 0.00 0.33 0.00 0.00 56.93 57.54 2aaz s PHE 194 Cb -0.12 -0.27 0.02 0.00 -1.31 0.00 0.00 43.02 41.34 2aaz s PHE 194 CO 0.26 -0.03 -0.20 0.08 1.83 0.00 0.00 175.22 177.16 2aaz s VAL 195 N 0.11 2.07 -0.12 3.12 1.01 -1.26 -0.67 120.40 124.67 2aaz s VAL 195 Ca -0.01 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 2aaz s VAL 195 Cb -0.04 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2aaz s VAL 195 CO -0.00 0.54 0.58 -0.44 0.00 0.00 0.00 175.10 175.77 2aaz s SER 196 N 1.23 6.77 0.60 3.32 0.01 0.17 -4.76 113.70 121.04 2aaz s SER 196 Ca 0.03 0.93 -0.16 0.00 1.31 0.00 0.00 55.95 58.06 2aaz s SER 196 Cb -0.13 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 2aaz s SER 196 CO -0.11 -0.10 1.08 -0.76 0.41 0.00 0.00 173.24 173.76 2aaz s LEU 197 N 0.98 3.52 0.23 2.44 1.43 -1.26 -1.34 118.68 124.69 2aaz s LEU 197 Ca 0.30 1.94 -0.32 0.00 -1.03 0.00 0.00 54.13 55.03 2aaz s LEU 197 Cb -0.16 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.39 2aaz s LEU 197 CO 0.13 -1.31 1.61 -2.65 0.23 0.00 0.00 176.35 174.35 2aaz n PRO 198 N -1.98 2.52 -0.63 1.29 -0.02 -1.26 -4.84 135.00 130.09 2aaz n PRO 198 Ca 0.10 0.90 -0.31 0.00 -2.02 0.00 0.00 63.50 62.18 2aaz n PRO 198 Cb 0.52 -2.69 0.19 0.00 -0.02 0.00 0.00 33.50 31.50 2aaz n PRO 198 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2aaz n PRO 199 N 2.95 -0.94 0.01 0.52 -0.02 -1.26 -4.78 135.00 131.47 2aaz n PRO 199 Ca 0.13 -0.22 -0.10 0.00 -2.02 0.00 0.00 63.50 61.29 2aaz n PRO 199 Cb 0.34 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 2aaz n PRO 199 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aaz h ALA 200 N -2.07 -0.04 0.00 3.55 0.00 -2.01 -3.04 119.26 115.65 2aaz h ALA 200 Ca -0.48 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 2aaz h ALA 200 Cb 1.29 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2aaz h ALA 200 CO 0.42 -0.57 -0.15 -0.40 0.00 0.00 0.00 179.25 178.55 2aaz n ASP 201 N -5.25 4.82 0.00 0.00 5.75 -1.26 -3.93 116.55 116.68 2aaz n ASP 201 Ca -0.04 -2.34 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 2aaz n ASP 201 Cb 0.17 -1.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.11 2aaz n ASP 201 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2aaz n SER 202 N 2.02 0.00 0.00 -1.12 3.41 -1.15 -5.03 113.62 111.75 2aaz n SER 202 Ca 0.18 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.85 2aaz n SER 202 Cb 0.64 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.90 2aaz n SER 202 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2aaz n PRO 203 N 0.00 0.25 0.17 4.33 -0.04 -1.20 -2.02 135.00 136.49 2aaz n PRO 203 Ca 0.00 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2aaz n PRO 203 Cb 0.00 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.05 2aaz n PRO 203 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2aaz h GLY 204 N 1.83 0.00 -1.49 0.55 0.00 -1.94 -3.47 103.07 98.55 2aaz h GLY 204 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 2aaz h GLY 204 CO 0.00 0.00 0.30 -0.56 0.00 0.00 0.00 176.54 176.28 2aaz s SER 205 N -5.89 3.33 0.28 0.19 0.01 -0.86 -4.98 113.70 105.78 2aaz s SER 205 Ca 0.04 2.31 -0.28 0.00 1.31 0.00 0.00 55.95 59.33 2aaz s SER 205 Cb 0.07 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.62 2aaz s SER 205 CO 0.72 -2.84 0.95 -0.54 0.41 0.00 0.00 173.24 171.94 2aaz s LYS 206 N -4.32 4.72 0.72 12.44 1.02 -1.26 -4.71 119.74 128.35 2aaz s LYS 206 Ca 0.71 1.44 -0.15 0.00 0.02 0.00 0.00 55.97 57.98 2aaz s LYS 206 Cb -0.27 -3.06 0.04 0.00 -0.52 0.00 0.00 37.83 34.02 2aaz s LYS 206 CO 0.53 0.39 1.22 -2.14 -0.92 0.00 0.00 175.35 174.43 2aaz s PRO 207 N -1.58 2.15 -0.15 -1.68 0.02 -1.26 -4.60 135.00 127.89 2aaz s PRO 207 Ca 0.45 1.81 -0.11 0.00 0.02 0.00 0.00 61.00 63.17 2aaz s PRO 207 Cb -0.23 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.41 2aaz s PRO 207 CO 0.29 -1.84 0.22 0.15 -0.33 0.00 0.00 177.00 175.49 2aaz s LYS 208 N -3.85 4.06 -0.19 5.54 1.02 -0.45 -0.48 119.74 125.39 2aaz s LYS 208 Ca 0.75 -0.03 -0.07 0.00 0.02 0.00 0.00 55.97 56.65 2aaz s LYS 208 Cb -0.30 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.61 2aaz s LYS 208 CO 0.45 0.40 0.04 -1.17 -0.92 0.00 0.00 175.35 174.15 2aaz s LEU 209 N 0.03 3.59 0.25 3.17 2.96 0.17 -0.65 118.68 128.21 2aaz s LEU 209 Ca 0.14 -0.04 0.10 0.00 -0.22 0.00 0.00 54.13 54.11 2aaz s LEU 209 Cb -0.12 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 2aaz s LEU 209 CO 0.03 0.12 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.56 2aaz s SER 210 N 0.70 3.20 -0.06 3.68 0.01 0.16 -0.22 113.70 121.17 2aaz s SER 210 Ca 0.02 -1.03 -0.02 0.00 1.31 0.00 0.00 55.95 56.23 2aaz s SER 210 Cb -0.14 -0.24 0.04 0.00 0.21 0.00 0.00 66.02 65.89 2aaz s SER 210 CO 0.02 -0.05 0.13 0.00 0.41 0.00 0.00 173.24 173.75 2aaz s LEU 212 N 1.18 2.44 0.01 0.00 0.20 -0.04 0.14 118.68 122.61 2aaz s LEU 212 Ca -0.09 -0.48 0.08 0.00 0.69 0.00 0.00 54.13 54.32 2aaz s LEU 212 Cb -0.12 -1.55 -0.03 0.00 -0.43 0.00 0.00 46.19 44.07 2aaz s LEU 212 CO -0.05 0.08 -0.23 -0.32 -0.29 0.00 0.00 176.35 175.54 2aaz s MET 213 N 0.82 2.06 -0.16 1.98 -2.45 0.18 -0.08 119.30 121.65 2aaz s MET 213 Ca -0.05 -0.97 0.00 0.00 -1.25 0.00 0.00 55.69 53.42 2aaz s MET 213 Cb -0.15 -2.10 0.00 0.00 1.25 0.00 0.00 34.83 33.83 2aaz s MET 213 CO -0.00 0.55 -0.16 -0.47 1.05 0.00 0.00 175.02 175.99 2aaz s TYR 214 N -0.75 2.78 -0.27 4.11 5.04 -0.65 -1.18 117.35 126.44 2aaz s TYR 214 Ca 0.12 -1.16 -0.02 0.00 -2.44 0.00 0.00 57.07 53.56 2aaz s TYR 214 Cb -0.10 -1.91 0.03 0.00 0.35 0.00 0.00 41.96 40.33 2aaz s TYR 214 CO 0.01 -0.55 -0.03 -1.14 -1.34 0.00 0.00 175.55 172.51 2aaz s GLN 215 N 0.95 2.76 0.36 4.97 0.74 -0.35 -2.39 119.66 126.69 2aaz s GLN 215 Ca -0.03 -1.04 0.07 0.00 0.05 0.00 0.00 55.36 54.41 2aaz s GLN 215 Cb -0.15 -3.08 0.67 0.00 1.10 0.00 0.00 33.01 31.55 2aaz s GLN 215 CO -0.03 -0.46 1.88 0.07 -0.55 0.00 0.00 175.29 176.20 2aaz h ARG 216 N 8.03 0.38 -3.49 1.67 0.11 -1.46 0.13 114.38 119.76 2aaz h ARG 216 Ca -0.29 -0.09 -0.33 0.00 0.10 0.00 0.00 59.98 59.36 2aaz h ARG 216 Cb 1.10 -0.05 -0.36 0.00 1.11 0.00 0.00 29.97 31.77 2aaz h ARG 216 CO 0.57 0.48 -0.74 0.45 0.10 0.00 0.00 179.97 180.83 2aaz s SER 217 N -6.81 0.53 -0.19 0.08 0.15 -1.26 -0.30 113.70 105.90 2aaz s SER 217 Ca -0.06 0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 2aaz s SER 217 Cb 0.15 -0.13 0.05 0.00 -1.71 0.00 0.00 66.02 64.38 2aaz s SER 217 CO 0.75 -0.17 -0.02 0.00 1.20 0.00 0.00 173.24 175.00 2aaz s ASP 219 N 1.66 6.22 0.29 0.00 3.68 -1.26 -1.68 116.67 125.58 2aaz s ASP 219 Ca -0.02 -0.94 -0.02 0.00 2.13 0.00 0.00 52.55 53.71 2aaz s ASP 219 Cb -0.17 -2.47 0.43 0.00 -1.45 0.00 0.00 42.92 39.27 2aaz s ASP 219 CO -0.07 -1.53 1.91 -0.07 0.13 0.00 0.00 175.17 175.53 2aaz h LEU 220 N 11.84 0.87 0.34 -1.34 4.07 -1.76 0.94 115.31 130.27 2aaz h LEU 220 Ca -0.23 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.64 2aaz h LEU 220 Cb 1.06 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.58 2aaz h LEU 220 CO 1.22 0.72 -0.16 1.23 -1.08 0.00 0.00 178.44 180.36 2aaz h GLY 221 N 1.03 -0.48 0.01 0.83 0.00 -1.90 -3.38 103.07 99.18 2aaz h GLY 221 Ca 0.24 0.18 -0.42 0.00 0.00 0.00 0.00 47.33 47.33 2aaz h GLY 221 CO -0.04 -0.17 -2.50 1.04 0.00 0.00 0.00 176.54 174.87 2aaz n LEU 222 N -5.19 2.53 0.08 3.11 4.77 -1.20 -4.69 117.00 116.41 2aaz n LEU 222 Ca -0.10 0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 55.88 2aaz n LEU 222 Cb 0.26 -0.88 -0.05 0.00 -2.33 0.00 0.00 43.42 40.43 2aaz n LEU 222 CO 0.32 0.78 0.23 1.23 -1.33 0.00 0.00 177.39 178.62 2aaz h GLY 223 N 0.69 -0.30 -0.44 -0.72 0.00 -1.11 -3.37 103.07 97.82 2aaz h GLY 223 Ca -0.63 0.11 0.26 0.00 0.00 0.00 0.00 47.33 47.08 2aaz h GLY 223 CO -0.23 -0.11 0.38 -2.08 0.00 0.00 0.00 176.54 174.50 2aaz h VAL 224 N -1.02 0.33 -0.72 4.60 2.07 -1.40 0.33 116.25 120.44 2aaz h VAL 224 Ca -0.03 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2aaz h VAL 224 Cb 0.39 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 2aaz h VAL 224 CO 0.05 0.05 0.47 -0.65 0.02 0.00 0.00 177.57 177.51 2aaz h PRO 225 N 0.28 0.88 -0.04 1.57 0.11 -1.76 -0.42 132.00 132.63 2aaz h PRO 225 Ca 0.62 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.61 2aaz h PRO 225 Cb 1.31 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2aaz h PRO 225 CO -0.62 0.58 -0.26 0.74 -0.21 0.00 0.00 178.00 178.24 2aaz h PHE 226 N 0.91 0.33 -0.82 0.65 -1.00 -0.58 -3.12 116.94 113.32 2aaz h PHE 226 Ca 0.28 -0.15 0.11 0.00 2.81 0.00 0.00 57.97 61.01 2aaz h PHE 226 Cb -0.01 -0.05 -0.08 0.00 3.61 0.00 0.00 35.95 39.43 2aaz h PHE 226 CO -0.00 0.89 0.45 -0.91 -1.61 0.00 0.00 178.31 177.14 2aaz h ASN 227 N -0.32 0.62 0.11 2.17 -0.26 -0.76 0.21 115.58 117.35 2aaz h ASN 227 Ca -0.02 0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 2aaz h ASN 227 Cb 0.93 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.14 2aaz h ASN 227 CO 0.05 0.34 -0.05 0.40 -1.06 0.00 0.00 177.43 177.11 2aaz h ILE 228 N 0.74 1.01 -0.53 2.81 2.04 -1.16 -2.07 117.51 120.35 2aaz h ILE 228 Ca 0.41 -0.45 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 2aaz h ILE 228 Cb 0.43 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2aaz h ILE 228 CO -0.27 0.11 -0.06 0.00 0.00 0.00 0.00 178.15 177.92 2aaz h ALA 229 N 0.50 0.89 0.43 1.87 0.00 -1.42 -2.20 119.26 119.33 2aaz h ALA 229 Ca -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2aaz h ALA 229 Cb 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2aaz h ALA 229 CO 0.03 0.64 -0.26 1.03 0.00 0.00 0.00 179.25 180.69 2aaz h SER 230 N 0.86 -0.66 0.51 0.00 0.87 -0.51 0.10 113.55 114.72 2aaz h SER 230 Ca 0.15 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 2aaz h SER 230 Cb 0.60 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 2aaz h SER 230 CO 0.04 -0.42 -0.34 1.88 -0.53 0.00 0.00 176.83 177.46 2aaz h TYR 231 N -0.66 0.00 -0.36 2.24 0.05 -1.41 0.89 116.97 117.72 2aaz h TYR 231 Ca -0.05 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.66 2aaz h TYR 231 Cb 0.54 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 2aaz h TYR 231 CO -0.09 0.34 -0.06 0.00 -1.05 0.00 0.00 178.16 177.30 2aaz h ALA 232 N 1.66 0.49 -0.62 3.88 0.00 -1.16 -1.63 119.26 121.88 2aaz h ALA 232 Ca -0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2aaz h ALA 232 Cb 0.69 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2aaz h ALA 232 CO 0.04 0.31 0.11 -0.07 0.00 0.00 0.00 179.25 179.65 2aaz h LEU 233 N 0.47 0.98 -0.80 0.00 3.38 -0.30 -1.93 115.31 117.11 2aaz h LEU 233 Ca 0.09 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2aaz h LEU 233 Cb 0.55 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2aaz h LEU 233 CO 0.03 0.99 0.50 0.25 0.09 0.00 0.00 178.44 180.30 2aaz h LEU 234 N 0.94 0.82 -0.66 1.67 5.85 -0.66 0.33 115.31 123.59 2aaz h LEU 234 Ca 0.19 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 2aaz h LEU 234 Cb 0.42 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2aaz h LEU 234 CO 0.01 0.55 0.17 0.74 -0.34 0.00 0.00 178.44 179.57 2aaz h THR 235 N 0.96 1.26 -0.65 1.05 2.02 -1.03 0.27 112.91 116.78 2aaz h THR 235 Ca 0.33 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 2aaz h THR 235 Cb 0.07 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2aaz h THR 235 CO -0.14 0.35 0.29 0.45 0.37 0.00 0.00 175.52 176.84 2aaz h HIS 236 N 0.98 0.97 0.05 3.16 3.86 -0.72 0.34 115.15 123.78 2aaz h HIS 236 Ca 0.21 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2aaz h HIS 236 Cb 0.35 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2aaz h HIS 236 CO 0.03 0.74 -0.02 0.52 0.86 0.00 0.00 177.93 180.06 2aaz h MET 237 N 0.91 -0.06 -0.71 2.45 2.07 -0.47 -2.07 114.93 117.05 2aaz h MET 237 Ca 0.22 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.83 2aaz h MET 237 Cb 0.16 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.87 2aaz h MET 237 CO -0.02 0.05 0.35 0.82 1.07 0.00 0.00 176.91 179.18 2aaz h ILE 238 N -0.16 1.22 -0.94 -1.22 2.04 -0.82 -2.26 117.51 115.37 2aaz h ILE 238 Ca -0.01 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.24 2aaz h ILE 238 Cb 0.14 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 2aaz h ILE 238 CO 0.01 0.26 0.62 0.00 0.00 0.00 0.00 178.15 179.04 2aaz h ALA 239 N 1.38 1.19 -0.27 1.87 0.00 -0.67 -0.86 119.26 121.91 2aaz h ALA 239 Ca 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2aaz h ALA 239 Cb 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2aaz h ALA 239 CO -0.03 0.60 0.09 1.25 0.00 0.00 0.00 179.25 181.15 2aaz h LEU 240 N 1.28 0.39 -1.16 0.00 5.85 -0.80 -0.62 115.31 120.24 2aaz h LEU 240 Ca 0.34 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 2aaz h LEU 240 Cb -0.13 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2aaz h LEU 240 CO -0.07 0.48 -0.33 0.40 -0.34 0.00 0.00 178.44 178.58 2aaz h ILE 241 N 0.27 0.90 -0.33 4.05 1.08 -1.13 -3.19 117.51 119.16 2aaz h ILE 241 Ca 0.09 -1.32 0.00 0.00 -0.39 0.00 0.00 64.86 63.24 2aaz h ILE 241 Cb 0.23 1.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 2aaz h ILE 241 CO -0.00 0.33 0.00 0.35 -0.69 0.00 0.00 178.15 178.13 2aaz n THR 242 N -3.65 0.49 -3.40 -0.27 -2.24 -0.36 -4.96 114.28 99.89 2aaz n THR 242 Ca -0.01 -0.75 -0.23 0.00 -2.27 0.00 0.00 64.05 60.80 2aaz n THR 242 Cb 0.45 0.97 0.06 0.00 -2.10 0.00 0.00 70.33 69.71 2aaz n THR 242 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2aaz n ASP 243 N 1.27 -6.18 -4.70 3.42 10.43 -0.70 -4.77 116.55 115.33 2aaz n ASP 243 Ca 0.17 -0.45 -0.26 0.00 2.57 0.00 0.00 54.79 56.82 2aaz n ASP 243 Cb 0.55 -4.85 -0.08 0.00 1.84 0.00 0.00 41.12 38.57 2aaz n ASP 243 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2aaz s THR 244 N -3.27 2.22 -0.25 -3.53 -4.23 -0.32 -4.45 115.64 101.81 2aaz s THR 244 Ca 0.49 -1.80 -0.06 0.00 -1.18 0.00 0.00 61.69 59.15 2aaz s THR 244 Cb -0.22 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.62 2aaz s THR 244 CO 0.60 -0.01 0.02 -0.70 -0.54 0.00 0.00 174.62 174.00 2aaz s GLU 245 N -3.84 3.34 0.29 3.99 2.56 0.37 -4.47 118.70 120.94 2aaz s GLU 245 Ca 0.39 -0.67 -0.30 0.00 0.00 0.00 0.00 54.97 54.39 2aaz s GLU 245 Cb 0.06 -3.20 -0.13 0.00 2.00 0.00 0.00 34.13 32.86 2aaz s GLU 245 CO 0.21 -0.28 1.34 -0.35 -0.56 0.00 0.00 175.26 175.63 2aaz n PRO 246 N 4.85 2.06 0.06 4.30 -0.04 -1.26 -0.65 135.00 144.31 2aaz n PRO 246 Ca -0.16 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 2aaz n PRO 246 Cb 0.50 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 2aaz n PRO 246 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2aaz n HIS 247 N 1.14 -0.36 -3.82 0.54 -0.00 0.69 -3.86 115.22 109.56 2aaz n HIS 247 Ca 0.08 0.06 -0.12 0.00 0.46 0.00 0.00 57.72 58.21 2aaz n HIS 247 Cb 0.34 0.08 -0.10 0.00 -0.12 0.00 0.00 29.99 30.20 2aaz n HIS 247 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 2aaz s GLU 248 N -1.95 0.54 -0.11 1.57 2.12 -1.23 -0.71 118.70 118.93 2aaz s GLU 248 Ca 0.00 -0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.11 2aaz s GLU 248 Cb 0.00 0.23 0.01 0.00 0.26 0.00 0.00 34.13 34.63 2aaz s GLU 248 CO 0.00 -0.13 -0.17 0.12 -0.54 0.00 0.00 175.26 174.54 2aaz s PHE 249 N -1.20 2.06 -0.07 5.30 5.36 -0.06 -1.20 117.98 128.17 2aaz s PHE 249 Ca -0.13 -0.95 0.04 0.00 -0.96 0.00 0.00 56.93 54.94 2aaz s PHE 249 Cb -0.06 -1.46 -0.02 0.00 -0.34 0.00 0.00 43.02 41.14 2aaz s PHE 249 CO 0.03 -0.47 -0.19 0.42 -1.46 0.00 0.00 175.22 173.55 2aaz s ILE 250 N 0.87 2.59 -0.20 3.12 1.09 0.12 -0.67 121.20 128.11 2aaz s ILE 250 Ca -0.09 -0.88 0.00 0.00 -1.10 0.00 0.00 60.65 58.59 2aaz s ILE 250 Cb -0.15 -2.00 0.05 0.00 -1.06 0.00 0.00 42.46 39.30 2aaz s ILE 250 CO 0.00 0.57 -0.07 -0.22 -0.10 0.00 0.00 174.94 175.11 2aaz s LEU 251 N -0.29 2.15 -0.18 2.97 2.96 0.05 -0.64 118.68 125.69 2aaz s LEU 251 Ca 0.01 -0.90 -0.07 0.00 -0.22 0.00 0.00 54.13 52.95 2aaz s LEU 251 Cb -0.13 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 2aaz s LEU 251 CO 0.03 -0.18 0.06 -1.58 -1.32 0.00 0.00 176.35 173.36 2aaz s GLN 252 N 1.47 3.94 0.08 1.98 2.00 -0.33 -0.97 119.66 127.83 2aaz s GLN 252 Ca -0.02 -0.34 0.04 0.00 -2.00 0.00 0.00 55.36 53.04 2aaz s GLN 252 Cb -0.17 -3.20 -0.04 0.00 0.80 0.00 0.00 33.01 30.41 2aaz s GLN 252 CO -0.08 0.30 0.01 -1.64 -0.50 0.00 0.00 175.29 173.39 2aaz s MET 253 N 0.30 2.64 0.00 1.67 -1.94 -1.26 -1.21 119.30 119.50 2aaz s MET 253 Ca 0.03 -0.78 0.00 0.00 -1.71 0.00 0.00 55.69 53.23 2aaz s MET 253 Cb -0.12 -2.59 0.00 0.00 2.01 0.00 0.00 34.83 34.12 2aaz s MET 253 CO 0.00 0.56 0.00 0.41 -0.01 0.00 0.00 175.02 175.98 2aaz n GLY 254 N 0.66 -0.00 3.55 -0.03 0.00 0.46 -3.61 105.19 106.22 2aaz n GLY 254 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2aaz n GLY 254 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aaz s ASP 255 N -1.00 6.13 -0.33 1.61 3.68 0.59 -1.10 116.67 126.25 2aaz s ASP 255 Ca 0.00 -0.39 -0.14 0.00 2.13 0.00 0.00 52.55 54.15 2aaz s ASP 255 Cb 0.00 -2.56 -0.02 0.00 -1.45 0.00 0.00 42.92 38.89 2aaz s ASP 255 CO 0.00 -1.85 0.30 0.00 0.13 0.00 0.00 175.17 173.76 2aaz s ALA 256 N 5.85 3.51 0.09 3.66 0.00 -0.59 -0.54 121.76 133.74 2aaz s ALA 256 Ca 0.37 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2aaz s ALA 256 Cb -0.08 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 2aaz s ALA 256 CO 0.16 -0.97 -0.04 -3.38 0.00 0.00 0.00 175.76 171.53 2aaz s HIS 257 N 1.89 0.76 -0.17 0.00 -0.00 -0.68 -1.29 115.29 115.81 2aaz s HIS 257 Ca 0.09 -1.01 0.01 0.00 -0.00 0.00 0.00 55.06 54.15 2aaz s HIS 257 Cb -0.17 -0.47 0.03 0.00 -0.00 0.00 0.00 32.58 31.96 2aaz s HIS 257 CO 0.11 -0.28 -0.15 0.08 -0.00 0.00 0.00 174.74 174.50 2aaz s VAL 258 N -3.78 1.75 0.53 -5.38 1.01 -0.35 -1.80 120.40 112.39 2aaz s VAL 258 Ca 0.12 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.08 2aaz s VAL 258 Cb 0.07 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2aaz s VAL 258 CO -0.06 0.44 1.28 -0.31 0.00 0.00 0.00 175.10 176.45 2aaz s TYR 259 N 1.40 2.45 0.25 5.22 1.51 -1.26 -1.74 117.35 125.19 2aaz s TYR 259 Ca 0.04 1.45 -0.02 0.00 -1.01 0.00 0.00 57.07 57.52 2aaz s TYR 259 Cb -0.13 -3.63 0.49 0.00 -0.11 0.00 0.00 41.96 38.58 2aaz s TYR 259 CO -0.11 -2.41 1.75 0.00 -1.11 0.00 0.00 175.55 173.68 2aaz h ARG 260 N 1.48 0.55 -0.02 -0.62 2.47 -1.66 0.51 114.38 117.09 2aaz h ARG 260 Ca -0.50 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 2aaz h ARG 260 Cb 1.29 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 2aaz h ARG 260 CO 0.57 0.37 0.00 -0.40 0.56 0.00 0.00 179.97 181.07 2aaz n ASP 261 N -4.91 0.13 -0.00 7.04 5.75 -1.26 -3.11 116.55 120.19 2aaz n ASP 261 Ca 0.16 -1.97 0.06 0.00 -0.01 0.00 0.00 54.79 53.02 2aaz n ASP 261 Cb 0.41 -0.02 -0.09 0.00 -1.03 0.00 0.00 41.12 40.40 2aaz n ASP 261 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2aaz n HIS 262 N -0.44 0.00 0.00 2.11 8.25 0.16 -4.67 115.22 120.63 2aaz n HIS 262 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 2aaz n HIS 262 Cb 0.02 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 30.92 2aaz n HIS 262 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2aaz h VAL 263 N 0.00 0.37 -0.39 1.59 2.07 -1.47 -0.53 116.25 117.88 2aaz h VAL 263 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2aaz h VAL 263 Cb 0.46 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2aaz h VAL 263 CO 0.00 0.00 0.05 -0.33 0.02 0.00 0.00 177.57 177.31 2aaz h GLU 264 N -0.34 0.66 -0.65 1.57 4.39 -1.84 -2.02 114.58 116.36 2aaz h GLU 264 Ca 0.10 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2aaz h GLU 264 Cb 0.49 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 2aaz h GLU 264 CO -0.32 0.72 0.32 -1.35 -1.16 0.00 0.00 179.01 177.22 2aaz h PRO 265 N 0.51 0.91 -0.02 2.33 0.11 -1.78 -2.54 132.00 131.51 2aaz h PRO 265 Ca 0.12 -0.11 -0.11 0.00 0.11 0.00 0.00 66.00 66.01 2aaz h PRO 265 Cb 0.39 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 2aaz h PRO 265 CO 0.01 0.69 -0.48 -0.07 -0.21 0.00 0.00 178.00 177.94 2aaz h LEU 266 N 0.91 0.05 -1.57 2.35 3.38 -0.91 -2.70 115.31 116.83 2aaz h LEU 266 Ca 0.23 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2aaz h LEU 266 Cb 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2aaz h LEU 266 CO -0.03 0.53 0.25 0.11 0.09 0.00 0.00 178.44 179.38 2aaz h LYS 267 N 0.04 0.53 -0.44 1.13 1.57 -0.92 0.14 116.57 118.63 2aaz h LYS 267 Ca -0.00 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 2aaz h LYS 267 Cb 0.87 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2aaz h LYS 267 CO 0.06 0.37 -0.09 1.15 -0.57 0.00 0.00 179.45 180.38 2aaz h THR 268 N 0.55 1.27 -0.30 -0.16 2.02 -1.45 -2.90 112.91 111.95 2aaz h THR 268 Ca 0.15 -1.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.05 2aaz h THR 268 Cb -0.03 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2aaz h THR 268 CO -0.03 0.40 -0.18 -0.61 0.37 0.00 0.00 175.52 175.47 2aaz h GLN 269 N 0.66 0.54 0.00 6.66 4.15 -1.09 -2.89 115.11 123.14 2aaz h GLN 269 Ca 0.11 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2aaz h GLN 269 Cb 0.62 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.26 2aaz h GLN 269 CO 0.04 0.70 0.00 -0.07 -1.93 0.00 0.00 178.83 177.57 2aaz h LEU 270 N 0.49 0.00 0.00 -2.39 3.38 -0.58 -1.57 115.31 114.64 2aaz h LEU 270 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2aaz h LEU 270 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2aaz h LEU 270 CO 0.04 0.00 -0.13 -0.62 0.09 0.00 0.00 178.44 177.82 2aaz n GLU 271 N -2.89 0.07 -3.39 1.13 1.02 -1.09 -4.88 120.64 110.61 2aaz n GLU 271 Ca -0.02 0.05 -0.37 0.00 -0.02 0.00 0.00 57.16 56.80 2aaz n GLU 271 Cb 0.12 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 29.91 2aaz n GLU 271 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2aaz s ARG 272 N -3.03 4.02 -0.15 3.49 0.52 -0.59 -5.07 118.95 118.14 2aaz s ARG 272 Ca 0.12 0.53 -0.19 0.00 -0.52 0.00 0.00 55.73 55.67 2aaz s ARG 272 Cb 0.17 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 2aaz s ARG 272 CO 0.58 0.61 0.52 -2.00 0.02 0.00 0.00 175.30 175.04 2aaz s GLU 273 N -1.36 4.29 0.59 3.54 2.12 -1.26 -4.96 118.70 121.65 2aaz s GLU 273 Ca 0.30 0.48 -0.20 0.00 0.36 0.00 0.00 54.97 55.91 2aaz s GLU 273 Cb -0.17 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 2aaz s GLU 273 CO 0.17 0.02 1.32 -2.14 -0.54 0.00 0.00 175.26 174.09 2aaz s PRO 274 N 1.08 2.87 0.21 4.30 0.02 -1.26 -4.88 135.00 137.34 2aaz s PRO 274 Ca 0.26 2.13 0.05 0.00 0.02 0.00 0.00 61.00 63.46 2aaz s PRO 274 Cb -0.15 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.28 2aaz s PRO 274 CO 0.11 -1.37 0.28 1.03 -0.33 0.00 0.00 177.00 176.71 2aaz s ARG 275 N -3.15 3.26 0.33 5.54 3.00 -1.26 -5.04 118.95 121.63 2aaz s ARG 275 Ca 0.77 -0.80 -0.28 0.00 0.00 0.00 0.00 55.73 55.41 2aaz s ARG 275 Cb -0.38 -2.81 -0.12 0.00 0.00 0.00 0.00 34.95 31.64 2aaz s ARG 275 CO 0.43 0.45 1.33 -0.25 0.00 0.00 0.00 175.30 177.26 2aaz n ASP 276 N -1.03 2.87 -4.74 0.23 8.00 -1.26 -4.81 116.55 115.81 2aaz n ASP 276 Ca -0.08 1.20 -0.37 0.00 0.71 0.00 0.00 54.79 56.24 2aaz n ASP 276 Cb 0.56 -1.49 0.06 0.00 -0.02 0.00 0.00 41.12 40.23 2aaz n ASP 276 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2aaz s PHE 277 N -0.91 2.15 0.98 1.24 0.08 -1.26 -4.74 117.98 115.53 2aaz s PHE 277 Ca 0.57 1.45 -0.15 0.00 0.12 0.00 0.00 56.93 58.93 2aaz s PHE 277 Cb -0.57 -3.71 0.19 0.00 -0.57 0.00 0.00 43.02 38.35 2aaz s PHE 277 CO 0.60 -2.88 1.19 -1.25 -0.10 0.00 0.00 175.22 172.78 2aaz s PRO 278 N -3.24 0.52 0.15 0.24 0.04 -1.25 -4.85 135.00 126.61 2aaz s PRO 278 Ca 0.79 0.00 0.10 0.00 0.04 0.00 0.00 61.00 61.94 2aaz s PRO 278 Cb -0.38 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2aaz s PRO 278 CO 0.41 -2.56 -0.20 0.15 0.04 0.00 0.00 177.00 174.84 2aaz s LYS 279 N -5.50 1.68 -0.13 4.56 1.02 -0.23 -1.81 119.74 119.33 2aaz s LYS 279 Ca 0.68 -1.33 -0.04 0.00 0.02 0.00 0.00 55.97 55.30 2aaz s LYS 279 Cb -0.10 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.17 2aaz s LYS 279 CO 0.54 0.44 0.01 -1.17 -0.92 0.00 0.00 175.35 174.25 2aaz s LEU 280 N -2.42 3.57 0.09 3.17 2.96 0.12 -1.06 118.68 125.12 2aaz s LEU 280 Ca 0.19 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 2aaz s LEU 280 Cb -0.09 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2aaz s LEU 280 CO 0.10 0.26 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.75 2aaz s LYS 281 N -0.18 0.81 -0.14 1.98 -0.14 0.15 -4.81 119.74 117.40 2aaz s LYS 281 Ca 0.05 -1.10 -0.07 0.00 -1.36 0.00 0.00 55.97 53.50 2aaz s LYS 281 Cb -0.12 -0.55 -0.04 0.00 -1.68 0.00 0.00 37.83 35.44 2aaz s LYS 281 CO 0.02 0.09 0.11 -1.58 -0.76 0.00 0.00 175.35 173.23 2aaz s TRP 282 N -2.19 3.47 -0.71 3.18 0.52 -1.26 -0.78 118.94 121.16 2aaz s TRP 282 Ca 0.03 0.40 0.26 0.00 0.02 0.00 0.00 56.10 56.81 2aaz s TRP 282 Cb -0.04 -1.98 0.84 0.00 -1.15 0.00 0.00 33.47 31.14 2aaz s TRP 282 CO 0.00 0.56 1.77 0.00 0.02 0.00 0.00 176.95 179.31 2aaz n ALA 283 N 2.46 2.21 -2.27 0.98 0.00 -0.03 -4.85 120.51 119.00 2aaz n ALA 283 Ca -0.19 -0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.09 2aaz n ALA 283 Cb 0.54 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 2aaz n ALA 283 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2aaz s ARG 284 N -3.12 1.28 0.65 0.00 0.52 -1.26 -5.05 118.95 111.96 2aaz s ARG 284 Ca 0.10 -1.67 -0.06 0.00 -0.52 0.00 0.00 55.73 53.58 2aaz s ARG 284 Cb 0.12 -0.16 0.04 0.00 0.52 0.00 0.00 34.95 35.47 2aaz s ARG 284 CO 0.57 -0.27 0.95 -1.54 0.02 0.00 0.00 175.30 175.04 2aaz s SER 285 N -3.24 5.13 0.20 0.23 1.04 -1.26 -4.89 113.70 110.90 2aaz s SER 285 Ca 0.34 0.50 -0.11 0.00 0.48 0.00 0.00 55.95 57.16 2aaz s SER 285 Cb 0.07 -1.30 0.19 0.00 0.10 0.00 0.00 66.02 65.09 2aaz s SER 285 CO 0.10 -1.37 1.80 0.50 0.98 0.00 0.00 173.24 175.25 2aaz h LYS 286 N -0.39 0.58 -0.68 4.02 3.64 -1.98 -0.54 116.57 121.23 2aaz h LYS 286 Ca -0.45 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2aaz h LYS 286 Cb 1.29 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 2aaz h LYS 286 CO 0.60 0.38 0.42 0.93 -2.27 0.00 0.00 179.45 179.51 2aaz h GLU 287 N 0.60 0.92 -0.31 1.90 3.07 -1.94 0.37 114.58 119.18 2aaz h GLU 287 Ca 0.26 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.36 58.98 2aaz h GLU 287 Cb 0.16 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 2aaz h GLU 287 CO -0.17 0.64 -0.04 0.93 -1.40 0.00 0.00 179.01 178.98 2aaz h GLU 288 N 0.92 0.58 -0.57 2.33 5.08 -1.81 -2.91 114.58 118.20 2aaz h GLU 288 Ca 0.24 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2aaz h GLU 288 Cb -0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2aaz h GLU 288 CO -0.05 0.74 0.02 0.82 -1.00 0.00 0.00 179.01 179.54 2aaz h ILE 289 N 0.36 1.26 0.00 3.13 2.04 -0.89 -3.47 117.51 119.94 2aaz h ILE 289 Ca 0.08 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2aaz h ILE 289 Cb 0.50 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2aaz h ILE 289 CO 0.02 0.39 0.00 0.61 0.00 0.00 0.00 178.15 179.18 2aaz n GLY 290 N -0.53 2.25 1.78 5.37 0.00 0.13 -4.02 105.19 110.17 2aaz n GLY 290 Ca 0.03 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 2aaz n GLY 290 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2aaz n ASP 291 N 4.50 -0.43 0.34 1.61 5.68 -1.26 -4.88 116.55 122.11 2aaz n ASP 291 Ca 0.00 -2.19 0.21 0.00 -0.50 0.00 0.00 54.79 52.31 2aaz n ASP 291 Cb 0.00 0.97 1.14 0.00 -1.14 0.00 0.00 41.12 42.09 2aaz n ASP 291 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2aaz h ILE 292 N 1.59 0.01 -0.15 2.12 6.09 -1.94 -0.75 117.51 124.48 2aaz h ILE 292 Ca -0.13 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 2aaz h ILE 292 Cb 0.66 0.93 0.00 0.00 0.47 0.00 0.00 36.82 38.88 2aaz h ILE 292 CO 0.19 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.74 2aaz n ASP 293 N -3.05 2.41 -1.05 2.19 8.00 -1.26 -4.28 116.55 119.51 2aaz n ASP 293 Ca -0.03 -1.80 0.12 0.00 0.71 0.00 0.00 54.79 53.79 2aaz n ASP 293 Cb 0.14 -0.09 0.22 0.00 -0.02 0.00 0.00 41.12 41.37 2aaz n ASP 293 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aaz n GLY 294 N 1.29 1.41 3.80 0.44 0.00 -0.29 -4.98 105.19 106.86 2aaz n GLY 294 Ca 0.17 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 2aaz n GLY 294 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aaz s PHE 295 N -1.63 3.14 0.10 1.61 0.40 -1.26 -4.79 117.98 115.56 2aaz s PHE 295 Ca 0.36 1.61 0.06 0.00 -0.60 0.00 0.00 56.93 58.36 2aaz s PHE 295 Cb 0.22 -3.04 -0.03 0.00 0.51 0.00 0.00 43.02 40.67 2aaz s PHE 295 CO 0.31 -0.62 -0.15 0.15 0.70 0.00 0.00 175.22 175.62 2aaz s LYS 296 N -2.99 0.97 0.23 0.44 1.02 -1.26 -5.05 119.74 113.11 2aaz s LYS 296 Ca 0.63 -1.14 -0.07 0.00 0.02 0.00 0.00 55.97 55.41 2aaz s LYS 296 Cb -0.17 -0.93 0.40 0.00 -0.52 0.00 0.00 37.83 36.62 2aaz s LYS 296 CO 0.21 0.19 1.68 0.28 -0.92 0.00 0.00 175.35 176.79 2aaz h VAL 297 N 3.81 0.52 0.00 3.17 2.07 -1.97 0.11 116.25 123.95 2aaz h VAL 297 Ca -0.41 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2aaz h VAL 297 Cb 1.19 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2aaz h VAL 297 CO 0.46 0.04 0.00 -1.84 0.02 0.00 0.00 177.57 176.25 2aaz n GLU 298 N -5.19 0.04 0.16 1.57 0.00 -1.26 -1.99 120.64 113.97 2aaz n GLU 298 Ca 0.12 0.32 0.04 0.00 0.00 0.00 0.00 57.16 57.64 2aaz n GLU 298 Cb 0.42 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.56 2aaz n GLU 298 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2aaz h ASP 299 N 0.00 0.00 -2.61 -1.84 3.32 -1.18 -3.43 116.42 110.68 2aaz h ASP 299 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2aaz h ASP 299 Cb 0.11 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.56 2aaz h ASP 299 CO 0.00 0.46 0.89 -0.36 -1.72 0.00 0.00 179.24 178.51 2aaz s PHE 300 N -3.33 2.46 -0.52 4.55 0.40 -0.84 -0.85 117.98 119.84 2aaz s PHE 300 Ca 0.01 -0.10 -0.14 0.00 -0.60 0.00 0.00 56.93 56.10 2aaz s PHE 300 Cb 0.10 -4.49 0.13 0.00 0.51 0.00 0.00 43.02 39.27 2aaz s PHE 300 CO 0.72 -1.85 0.46 0.08 0.70 0.00 0.00 175.22 175.32 2aaz s VAL 301 N 5.09 4.91 -0.33 -0.44 1.01 0.04 -4.98 120.40 125.69 2aaz s VAL 301 Ca 0.33 -1.60 -0.16 0.00 0.00 0.00 0.00 61.98 60.55 2aaz s VAL 301 Cb -0.10 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 2aaz s VAL 301 CO 0.16 -0.84 0.42 -0.69 0.00 0.00 0.00 175.10 174.14 2aaz s VAL 302 N 1.51 5.11 0.08 2.92 1.01 -1.26 -0.68 120.40 129.10 2aaz s VAL 302 Ca 0.04 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.33 2aaz s VAL 302 Cb -0.29 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2aaz s VAL 302 CO 0.02 -0.09 -0.13 -1.83 0.00 0.00 0.00 175.10 173.07 2aaz s GLU 303 N 2.16 2.12 0.00 2.72 -1.05 -0.22 -4.64 118.70 119.79 2aaz s GLU 303 Ca 0.15 -0.99 0.00 0.00 -0.15 0.00 0.00 54.97 53.97 2aaz s GLU 303 Cb -0.16 -2.27 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 2aaz s GLU 303 CO 0.12 0.53 0.00 0.41 0.95 0.00 0.00 175.26 177.26 2aaz n GLY 304 N 1.06 0.41 3.64 -3.83 0.00 -1.26 -1.07 105.19 104.13 2aaz n GLY 304 Ca -0.15 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 2aaz n GLY 304 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2aaz s TYR 305 N -2.00 3.11 -0.52 1.61 6.04 -1.26 -4.29 117.35 120.04 2aaz s TYR 305 Ca 0.00 1.17 0.06 0.00 0.04 0.00 0.00 57.07 58.34 2aaz s TYR 305 Cb 0.00 -3.70 0.22 0.00 -1.04 0.00 0.00 41.96 37.45 2aaz s TYR 305 CO 0.00 -0.86 0.54 1.63 -1.54 0.00 0.00 175.55 175.32 2aaz n LYS 306 N 6.89 1.30 -2.10 4.97 5.02 -1.26 -5.07 118.16 127.90 2aaz n LYS 306 Ca 0.12 -3.83 -0.28 0.00 -2.02 0.00 0.00 58.31 52.30 2aaz n LYS 306 Cb 0.47 -1.78 0.05 0.00 -0.02 0.00 0.00 35.03 33.75 2aaz n LYS 306 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2aaz s PRO 307 N -1.35 2.64 0.37 1.97 0.04 -1.26 -4.71 135.00 132.70 2aaz s PRO 307 Ca 0.34 0.14 -0.05 0.00 0.04 0.00 0.00 61.00 61.48 2aaz s PRO 307 Cb 0.10 -2.12 0.08 0.00 0.04 0.00 0.00 34.50 32.61 2aaz s PRO 307 CO -0.11 -1.04 0.50 0.91 0.04 0.00 0.00 177.00 177.30 2aaz n TRP 308 N -2.90 -3.82 -1.03 0.56 7.02 -0.12 -4.90 117.44 112.24 2aaz n TRP 308 Ca 0.06 -0.52 -0.30 0.00 -1.02 0.00 0.00 57.50 55.72 2aaz n TRP 308 Cb 0.58 -0.38 0.15 0.00 -2.42 0.00 0.00 31.31 29.24 2aaz n TRP 308 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2aaz s GLY 309 N -4.01 1.64 0.67 6.99 0.00 -1.26 -2.92 107.32 108.43 2aaz s GLY 309 Ca 0.29 0.14 -0.15 0.00 0.00 0.00 0.00 44.72 45.00 2aaz s GLY 309 CO 0.20 0.61 1.11 -1.59 0.00 0.00 0.00 173.10 173.43 2aaz s LYS 310 N -4.81 2.74 -0.17 2.90 -2.85 -1.26 -3.07 119.74 113.22 2aaz s LYS 310 Ca 0.64 1.38 -0.00 0.00 -1.00 0.00 0.00 55.97 56.99 2aaz s LYS 310 Cb -0.20 -1.94 0.04 0.00 -2.06 0.00 0.00 37.83 33.67 2aaz s LYS 310 CO 0.58 -1.30 -0.07 0.42 0.10 0.00 0.00 175.35 175.08 2aaz s ILE 311 N -2.39 1.26 0.05 3.79 1.01 -1.26 -4.88 121.20 118.78 2aaz s ILE 311 Ca 0.67 -0.71 -0.31 0.00 0.00 0.00 0.00 60.65 60.30 2aaz s ILE 311 Cb -0.20 -1.39 -0.06 0.00 0.01 0.00 0.00 42.46 40.82 2aaz s ILE 311 CO 0.43 0.16 1.29 -1.81 0.00 0.00 0.00 174.94 175.01 2aaz s ASP 312 N 1.57 6.97 -0.07 3.58 1.01 -1.26 -5.02 116.67 123.44 2aaz s ASP 312 Ca 0.01 2.08 -0.04 0.00 0.71 0.00 0.00 52.55 55.31 2aaz s ASP 312 Cb -0.15 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.24 2aaz s ASP 312 CO -0.08 -0.58 0.17 -0.04 0.21 0.00 0.00 175.17 174.85 2aaz s MET 313 N 1.50 0.12 0.17 8.23 -1.94 -1.26 -4.89 119.30 121.23 2aaz s MET 313 Ca 0.61 0.40 -0.27 0.00 -1.71 0.00 0.00 55.69 54.72 2aaz s MET 313 Cb -0.31 -0.15 -0.08 0.00 2.01 0.00 0.00 34.83 36.30 2aaz s MET 313 CO 0.28 -0.16 0.83 0.21 -0.01 0.00 0.00 175.02 176.17 2aaz s LYS 314 N 1.13 4.64 -0.03 2.03 2.20 -1.26 -5.04 119.74 123.41 2aaz s LYS 314 Ca -0.09 1.25 -0.20 0.00 -0.36 0.00 0.00 55.97 56.58 2aaz s LYS 314 Cb -0.11 -3.29 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 2aaz s LYS 314 CO -0.06 0.50 0.56 1.41 -0.36 0.00 0.00 175.35 177.40 2aaz s MET 315 N -0.94 4.29 -0.30 4.03 -2.45 -1.26 -4.97 119.30 117.71 2aaz s MET 315 Ca 0.38 0.66 -0.18 0.00 -1.25 0.00 0.00 55.69 55.30 2aaz s MET 315 Cb -0.24 -3.35 -0.02 0.00 1.25 0.00 0.00 34.83 32.47 2aaz s MET 315 CO 0.28 0.34 0.50 -1.12 1.05 0.00 0.00 175.02 176.07 2aaz s SER 316 N -0.07 6.37 0.00 1.11 0.01 -1.26 -5.16 113.70 114.71 2aaz s SER 316 Ca 0.30 0.29 0.16 0.00 1.31 0.00 0.00 55.95 58.01 2aaz s SER 316 Cb -0.17 -2.27 0.96 0.00 0.21 0.00 0.00 66.02 64.75 2aaz s SER 316 CO 0.16 -0.36 1.37 0.00 0.41 0.00 0.00 173.24 174.82