#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a81 s VAL 2 N 0.00 0.12 -0.14 2.03 -7.23 -1.26 -0.15 120.40 113.76 2a81 s VAL 2 Ca 0.00 -1.62 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 2a81 s VAL 2 Cb 0.00 -1.79 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 2a81 s VAL 2 CO 0.00 -0.53 -0.12 -0.36 -0.31 0.00 0.00 175.10 173.78 2a81 s PHE 3 N -3.97 2.83 -0.28 2.82 2.99 0.15 -4.88 117.98 117.64 2a81 s PHE 3 Ca 0.16 -0.69 -0.06 0.00 0.00 0.00 0.00 56.93 56.34 2a81 s PHE 3 Cb 0.06 -1.87 0.00 0.00 0.00 0.00 0.00 43.02 41.21 2a81 s PHE 3 CO -0.03 -0.26 0.06 -1.21 -0.00 0.00 0.00 175.22 173.79 2a81 s GLU 4 N 0.48 3.18 0.38 0.44 2.02 -1.26 -0.53 118.70 123.41 2a81 s GLU 4 Ca -0.09 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.15 2a81 s GLU 4 Cb -0.16 -3.31 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 2a81 s GLU 4 CO 0.04 -0.38 0.06 -1.21 0.02 0.00 0.00 175.26 173.79 2a81 s GLU 5 N 1.50 1.83 -0.06 1.61 2.02 -0.28 -4.96 118.70 120.36 2a81 s GLU 5 Ca 0.03 -2.07 0.01 0.00 0.02 0.00 0.00 54.97 52.97 2a81 s GLU 5 Cb -0.17 -1.01 0.02 0.00 0.10 0.00 0.00 34.13 33.08 2a81 s GLU 5 CO 0.02 -0.26 -0.08 -0.80 0.02 0.00 0.00 175.26 174.16 2a81 s ASN 6 N -3.60 1.45 -0.98 -0.19 -0.87 -1.26 -0.10 114.94 109.39 2a81 s ASN 6 Ca 0.29 -0.22 -0.03 0.00 -1.57 0.00 0.00 52.86 51.33 2a81 s ASN 6 Cb 0.07 -0.65 0.26 0.00 -0.02 0.00 0.00 41.25 40.90 2a81 s ASN 6 CO 0.14 -0.03 1.03 -0.24 -2.57 0.00 0.00 177.10 175.44 2a81 n SER 7 N 4.06 5.03 0.00 -1.22 2.88 0.17 -5.00 113.62 119.55 2a81 n SER 7 Ca -0.22 -3.20 0.00 0.00 -1.33 0.00 0.00 58.87 54.12 2a81 n SER 7 Cb 0.51 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 2a81 n SER 7 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2a81 n ASP 8 N 2.04 0.00 0.00 -3.46 8.00 -1.26 -2.16 116.55 119.71 2a81 n ASP 8 Ca 0.24 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.80 2a81 n ASP 8 Cb 0.37 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.73 2a81 n ASP 8 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2a81 n GLU 9 N 14.00 0.03 -3.28 -1.24 0.00 -1.26 -4.59 120.64 124.30 2a81 n GLU 9 Ca 0.00 0.27 -0.39 0.00 0.00 0.00 0.00 57.16 57.05 2a81 n GLU 9 Cb 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 29.88 2a81 n GLU 9 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2a81 s VAL 10 N -2.92 5.14 -0.13 3.84 1.01 -0.92 -0.19 120.40 126.23 2a81 s VAL 10 Ca 0.07 0.94 -0.13 0.00 0.00 0.00 0.00 61.98 62.86 2a81 s VAL 10 Cb 0.08 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2a81 s VAL 10 CO 0.21 0.23 0.29 -0.60 0.00 0.00 0.00 175.10 175.24 2a81 s ARG 11 N 1.25 4.10 -0.24 2.72 6.06 -0.31 -0.65 118.95 131.87 2a81 s ARG 11 Ca 0.25 0.12 -0.00 0.00 -2.50 0.00 0.00 55.73 53.59 2a81 s ARG 11 Cb -0.15 -3.36 0.03 0.00 0.06 0.00 0.00 34.95 31.53 2a81 s ARG 11 CO 0.10 0.38 -0.09 0.08 -2.50 0.00 0.00 175.30 173.27 2a81 s VAL 12 N 0.03 2.62 -0.30 7.11 1.01 0.85 -1.10 120.40 130.62 2a81 s VAL 12 Ca 0.17 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 2a81 s VAL 12 Cb -0.13 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2a81 s VAL 12 CO 0.05 0.19 0.19 -0.63 0.00 0.00 0.00 175.10 174.91 2a81 s ILE 13 N 1.27 5.11 -0.25 2.22 1.01 0.11 -1.13 121.20 129.54 2a81 s ILE 13 Ca -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 2a81 s ILE 13 Cb -0.17 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.78 2a81 s ILE 13 CO -0.06 0.14 -0.00 -0.89 0.00 0.00 0.00 174.94 174.13 2a81 s THR 14 N 1.71 3.49 0.17 2.92 2.01 0.31 -1.04 115.64 125.22 2a81 s THR 14 Ca 0.06 -0.67 -0.31 0.00 0.31 0.00 0.00 61.69 61.09 2a81 s THR 14 Cb -0.17 -2.70 -0.09 0.00 0.01 0.00 0.00 72.50 69.55 2a81 s THR 14 CO 0.09 0.25 1.43 -0.76 -0.69 0.00 0.00 174.62 174.95 2a81 s LEU 15 N 1.45 4.38 -0.39 4.42 1.43 0.20 -0.67 118.68 129.51 2a81 s LEU 15 Ca 0.03 2.49 0.11 0.00 -1.03 0.00 0.00 54.13 55.74 2a81 s LEU 15 Cb -0.16 -3.60 0.34 0.00 0.03 0.00 0.00 46.19 42.81 2a81 s LEU 15 CO -0.01 -0.69 0.74 -0.67 0.23 0.00 0.00 176.35 175.95 2a81 n ASP 16 N 3.37 1.07 -4.77 2.29 2.03 0.78 -4.54 116.55 116.79 2a81 n ASP 16 Ca 0.10 -3.05 -0.37 0.00 0.52 0.00 0.00 54.79 52.00 2a81 n ASP 16 Cb 0.41 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 2a81 n ASP 16 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2a81 s HIS 17 N -2.45 2.74 0.34 -0.67 5.65 -1.26 -4.55 115.29 115.09 2a81 s HIS 17 Ca 0.40 1.52 0.14 0.00 0.25 0.00 0.00 55.06 57.37 2a81 s HIS 17 Cb 0.34 -3.41 1.04 0.00 -1.18 0.00 0.00 32.58 29.36 2a81 s HIS 17 CO -0.09 -1.71 1.69 -1.35 -0.65 0.00 0.00 174.74 172.64 2a81 h PRO 18 N 1.72 0.40 -6.49 2.88 0.11 -1.98 -3.40 132.00 125.24 2a81 h PRO 18 Ca -0.50 -0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.06 2a81 h PRO 18 Cb 1.26 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2a81 h PRO 18 CO 0.59 0.26 0.40 1.21 -0.21 0.00 0.00 178.00 180.25 2a81 s ASN 19 N -5.01 7.37 0.66 -2.05 3.84 -1.26 -4.93 114.94 113.56 2a81 s ASN 19 Ca -0.10 1.78 0.41 0.00 0.21 0.00 0.00 52.86 55.16 2a81 s ASN 19 Cb 0.29 -2.58 2.26 0.00 -0.55 0.00 0.00 41.25 40.67 2a81 s ASN 19 CO 0.79 -0.22 2.30 0.07 -2.79 0.00 0.00 177.10 177.26 2a81 h LYS 20 N 6.27 0.00 -0.59 0.43 2.10 -1.97 -1.03 116.57 121.78 2a81 h LYS 20 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2a81 h LYS 20 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2a81 h LYS 20 CO 0.74 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.91 2a81 n HIS 21 N -3.15 0.87 -3.97 0.07 8.25 -1.26 -2.30 115.22 113.72 2a81 n HIS 21 Ca -0.03 -0.40 -0.36 0.00 -0.26 0.00 0.00 57.72 56.67 2a81 n HIS 21 Cb 0.12 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.18 2a81 n HIS 21 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2a81 n ASN 22 N 1.08 -2.99 -4.77 0.41 3.02 -0.39 -0.82 115.26 110.80 2a81 n ASN 22 Ca 0.19 -1.15 -0.37 0.00 -0.03 0.00 0.00 54.58 53.21 2a81 n ASN 22 Cb 0.54 -2.45 -0.01 0.00 -0.61 0.00 0.00 39.78 37.25 2a81 n ASN 22 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2a81 s PRO 23 N -6.82 3.77 -1.07 3.52 0.04 -1.26 -3.80 135.00 129.37 2a81 s PRO 23 Ca 0.32 1.84 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 2a81 s PRO 23 Cb -0.15 -2.45 0.05 0.00 0.04 0.00 0.00 34.50 31.99 2a81 s PRO 23 CO 0.93 -0.56 1.51 -0.06 0.04 0.00 0.00 177.00 178.85 2a81 s PHE 24 N -1.49 2.56 0.72 0.56 0.08 -0.40 -4.88 117.98 115.14 2a81 s PHE 24 Ca 0.63 -0.96 -0.10 0.00 0.12 0.00 0.00 56.93 56.62 2a81 s PHE 24 Cb -0.30 -4.70 0.05 0.00 -0.57 0.00 0.00 43.02 37.50 2a81 s PHE 24 CO 0.37 -1.91 1.08 -1.54 -0.10 0.00 0.00 175.22 173.11 2a81 s SER 25 N 4.89 4.99 0.26 1.36 1.04 -1.26 -4.55 113.70 120.43 2a81 s SER 25 Ca 0.48 0.78 -0.02 0.00 0.48 0.00 0.00 55.95 57.67 2a81 s SER 25 Cb 0.01 -1.46 0.48 0.00 0.10 0.00 0.00 66.02 65.14 2a81 s SER 25 CO -0.07 -1.56 1.81 -0.09 0.98 0.00 0.00 173.24 174.31 2a81 h ARG 26 N -0.71 0.79 -0.58 4.02 2.43 -2.00 -1.72 114.38 116.61 2a81 h ARG 26 Ca -0.45 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 58.60 2a81 h ARG 26 Cb 1.30 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 2a81 h ARG 26 CO 0.63 0.52 0.10 1.15 -1.51 0.00 0.00 179.97 180.86 2a81 h THR 27 N 0.81 1.26 -0.37 0.20 2.02 -1.98 -2.71 112.91 112.14 2a81 h THR 27 Ca 0.44 -0.97 -0.08 0.00 0.77 0.00 0.00 66.41 66.57 2a81 h THR 27 Cb 0.47 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2a81 h THR 27 CO -0.28 0.36 -0.08 0.25 0.37 0.00 0.00 175.52 176.14 2a81 h LEU 28 N 0.85 0.71 -0.65 2.58 5.85 -1.74 -2.28 115.31 120.63 2a81 h LEU 28 Ca 0.18 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.60 2a81 h LEU 28 Cb 0.41 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.15 2a81 h LEU 28 CO 0.01 0.90 -0.56 -0.33 -0.34 0.00 0.00 178.44 178.13 2a81 h GLU 29 N 0.50 -0.21 -0.30 1.25 5.08 -1.24 -1.06 114.58 118.59 2a81 h GLU 29 Ca 0.09 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 2a81 h GLU 29 Cb 0.59 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 2a81 h GLU 29 CO 0.03 -0.14 -0.33 1.15 -1.00 0.00 0.00 179.01 178.73 2a81 h THR 30 N -0.22 0.25 -0.33 1.13 2.02 -1.25 -0.07 112.91 114.44 2a81 h THR 30 Ca 0.11 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.33 2a81 h THR 30 Cb 0.50 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 2a81 h THR 30 CO -0.72 0.00 0.10 0.28 0.37 0.00 0.00 175.52 175.54 2a81 h SER 31 N -0.31 0.08 -0.71 4.18 0.02 -1.05 -0.11 113.55 115.65 2a81 h SER 31 Ca 0.14 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 2a81 h SER 31 Cb 0.54 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2a81 h SER 31 CO -0.47 0.08 0.38 0.58 -1.14 0.00 0.00 176.83 176.27 2a81 h VAL 32 N 0.23 1.22 -0.30 2.27 2.07 -0.52 0.10 116.25 121.32 2a81 h VAL 32 Ca 0.15 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2a81 h VAL 32 Cb 0.14 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2a81 h VAL 32 CO -0.17 0.25 0.05 0.11 0.02 0.00 0.00 177.57 177.83 2a81 h LYS 33 N 0.98 0.50 -0.70 1.57 1.57 -0.65 -1.60 116.57 118.23 2a81 h LYS 33 Ca 0.25 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2a81 h LYS 33 Cb 0.05 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2a81 h LYS 33 CO -0.04 0.59 0.20 -0.44 -0.57 0.00 0.00 179.45 179.20 2a81 h ASP 34 N 0.33 1.03 -0.28 0.86 3.32 -0.63 -0.57 116.42 120.48 2a81 h ASP 34 Ca 0.09 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 2a81 h ASP 34 Cb 0.33 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2a81 h ASP 34 CO 0.00 0.97 -0.23 0.00 -1.72 0.00 0.00 179.24 178.26 2a81 h ALA 35 N 1.16 0.88 -0.62 3.45 0.00 -0.72 -2.04 119.26 121.37 2a81 h ALA 35 Ca 0.23 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2a81 h ALA 35 Cb 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2a81 h ALA 35 CO -0.00 0.63 0.09 -0.07 0.00 0.00 0.00 179.25 179.89 2a81 h LEU 36 N 0.66 0.98 0.18 0.00 4.07 -0.95 -1.69 115.31 118.55 2a81 h LEU 36 Ca 0.09 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 2a81 h LEU 36 Cb 0.74 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2a81 h LEU 36 CO 0.06 0.98 -0.08 0.00 -1.08 0.00 0.00 178.44 178.32 2a81 h ALA 37 N 1.13 -0.24 -0.42 1.53 0.00 -0.87 -1.68 119.26 118.71 2a81 h ALA 37 Ca 0.19 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2a81 h ALA 37 Cb 0.43 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2a81 h ALA 37 CO 0.01 -0.59 0.19 0.00 0.00 0.00 0.00 179.25 178.86 2a81 h ARG 38 N -0.33 0.37 -0.83 0.00 3.08 -1.35 -0.10 114.38 115.22 2a81 h ARG 38 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2a81 h ARG 38 Cb 0.25 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 2a81 h ARG 38 CO 0.04 0.24 0.53 0.00 -1.07 0.00 0.00 179.97 179.71 2a81 h ALA 39 N 1.24 1.05 -0.27 0.04 0.00 -1.22 0.12 119.26 120.22 2a81 h ALA 39 Ca 0.19 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2a81 h ALA 39 Cb 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2a81 h ALA 39 CO -0.15 0.49 -0.46 -0.97 0.00 0.00 0.00 179.25 178.16 2a81 h ASN 40 N 1.13 0.75 1.50 0.00 -1.24 -1.00 -3.10 115.58 113.62 2a81 h ASN 40 Ca 0.30 -0.36 0.00 0.00 0.71 0.00 0.00 56.30 56.95 2a81 h ASN 40 Cb -0.09 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 38.75 2a81 h ASN 40 CO -0.06 1.09 0.00 0.00 -1.29 0.00 0.00 177.43 177.17 2a81 h ALA 41 N 0.93 1.00 -2.41 1.57 0.00 -0.53 -3.45 119.26 116.37 2a81 h ALA 41 Ca 0.03 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.34 2a81 h ALA 41 Cb 1.01 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 2a81 h ALA 41 CO 0.09 0.00 0.28 0.34 0.00 0.00 0.00 179.25 179.97 2a81 s ASP 42 N -4.70 6.69 0.18 0.00 -1.08 0.36 -4.96 116.67 113.16 2a81 s ASP 42 Ca 0.10 0.85 -0.22 0.00 -0.52 0.00 0.00 52.55 52.76 2a81 s ASP 42 Cb 0.11 -2.38 0.10 0.00 -1.46 0.00 0.00 42.92 39.30 2a81 s ASP 42 CO 0.60 -0.42 1.58 0.44 0.52 0.00 0.00 175.17 177.89 2a81 h ASP 43 N 7.78 -1.26 0.10 -0.34 3.32 -1.86 -2.83 116.42 121.32 2a81 h ASP 43 Ca -0.26 0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2a81 h ASP 43 Cb 1.11 0.61 -0.00 0.00 0.22 0.00 0.00 39.33 41.27 2a81 h ASP 43 CO 0.81 -0.31 -0.02 0.77 -1.72 0.00 0.00 179.24 178.77 2a81 h SER 44 N -0.18 0.00 -3.36 6.45 4.64 -1.94 -3.40 113.55 115.76 2a81 h SER 44 Ca 0.22 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.97 2a81 h SER 44 Cb 0.56 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.58 2a81 h SER 44 CO -0.69 0.02 0.14 -0.69 -0.87 0.00 0.00 176.83 174.73 2a81 s VAL 45 N -4.34 5.02 -0.15 0.95 1.01 -1.07 -4.50 120.40 117.33 2a81 s VAL 45 Ca -0.04 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.38 2a81 s VAL 45 Cb 0.14 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 2a81 s VAL 45 CO 0.50 0.20 0.23 0.54 0.00 0.00 0.00 175.10 176.57 2a81 n ARG 46 N 4.19 4.14 -3.52 2.72 1.74 0.74 -4.89 116.66 121.78 2a81 n ARG 46 Ca -0.00 -0.20 -0.12 0.00 -0.77 0.00 0.00 57.85 56.76 2a81 n ARG 46 Cb 0.51 -0.73 -0.04 0.00 -1.02 0.00 0.00 32.46 31.18 2a81 n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a81 s ALA 47 N -0.86 -1.83 -0.04 7.54 0.00 -1.19 -4.19 121.76 121.18 2a81 s ALA 47 Ca 0.01 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.23 2a81 s ALA 47 Cb 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.12 2a81 s ALA 47 CO 0.06 -0.49 -0.11 0.08 0.00 0.00 0.00 175.76 175.30 2a81 s VAL 48 N -2.05 0.97 -0.14 0.00 1.01 -0.19 -1.16 120.40 118.84 2a81 s VAL 48 Ca -0.01 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2a81 s VAL 48 Cb -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2a81 s VAL 48 CO -0.02 0.30 -0.20 -0.69 0.00 0.00 0.00 175.10 174.50 2a81 s VAL 49 N 0.31 2.30 -0.13 2.92 1.01 -0.26 -0.83 120.40 125.73 2a81 s VAL 49 Ca -0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 2a81 s VAL 49 Cb -0.11 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2a81 s VAL 49 CO 0.01 0.54 -0.01 -0.69 0.00 0.00 0.00 175.10 174.96 2a81 s VAL 50 N 0.71 4.19 -0.07 2.92 1.01 -0.62 0.09 120.40 128.63 2a81 s VAL 50 Ca -0.09 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 2a81 s VAL 50 Cb -0.16 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.43 2a81 s VAL 50 CO 0.01 0.53 0.20 -0.47 0.00 0.00 0.00 175.10 175.36 2a81 s TYR 51 N -0.08 -0.22 0.12 5.22 5.04 -0.20 -1.24 117.35 126.00 2a81 s TYR 51 Ca 0.03 0.54 0.19 0.00 -2.44 0.00 0.00 57.07 55.39 2a81 s TYR 51 Cb -0.13 0.07 0.66 0.00 0.35 0.00 0.00 41.96 42.91 2a81 s TYR 51 CO 0.02 -0.11 1.72 0.78 -1.34 0.00 0.00 175.55 176.62 2a81 h GLY 52 N 5.92 0.00 0.00 8.97 0.00 -1.81 0.59 103.07 116.74 2a81 h GLY 52 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2a81 h GLY 52 CO 0.39 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.54 2a81 n GLY 53 N 0.33 2.80 3.77 4.60 0.00 -1.26 -4.37 105.19 111.05 2a81 n GLY 53 Ca 0.00 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2a81 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a81 s ALA 54 N -2.67 3.51 -1.62 4.61 0.00 -1.26 -2.44 121.76 121.89 2a81 s ALA 54 Ca 0.00 1.34 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 2a81 s ALA 54 Cb 0.00 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.72 2a81 s ALA 54 CO 0.00 -0.76 0.81 -0.85 0.00 0.00 0.00 175.76 174.96 2a81 n GLU 55 N 0.69 -3.91 -3.98 0.00 0.00 -1.26 -4.98 120.64 107.19 2a81 n GLU 55 Ca 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 57.16 57.52 2a81 n GLU 55 Cb 0.41 -5.16 -0.11 0.00 0.00 0.00 0.00 31.44 26.59 2a81 n GLU 55 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2a81 s ARG 56 N -6.78 0.41 0.25 3.44 0.52 -1.02 -5.02 118.95 110.74 2a81 s ARG 56 Ca 0.63 -0.71 -0.30 0.00 -0.52 0.00 0.00 55.73 54.83 2a81 s ARG 56 Cb -0.33 0.15 -0.09 0.00 0.52 0.00 0.00 34.95 35.20 2a81 s ARG 56 CO 0.89 -0.08 0.99 -1.12 0.02 0.00 0.00 175.30 176.01 2a81 s SER 57 N -1.78 7.52 0.14 0.23 0.01 -0.97 -3.87 113.70 114.97 2a81 s SER 57 Ca -0.11 2.05 -0.28 0.00 1.31 0.00 0.00 55.95 58.92 2a81 s SER 57 Cb -0.06 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 2a81 s SER 57 CO -0.03 0.05 1.58 0.15 0.41 0.00 0.00 173.24 175.41 2a81 h PHE 58 N 4.10 -1.22 -0.93 2.43 3.57 -0.86 -3.38 116.94 120.65 2a81 h PHE 58 Ca -0.45 0.06 0.20 0.00 3.53 0.00 0.00 57.97 61.31 2a81 h PHE 58 Cb 1.20 0.57 -0.31 0.00 2.79 0.00 0.00 35.95 40.20 2a81 h PHE 58 CO 0.60 -0.46 0.64 0.45 -2.23 0.00 0.00 178.31 177.31 2a81 s SER 59 N -4.95 -0.14 0.00 0.41 0.15 -0.73 -4.57 113.70 103.87 2a81 s SER 59 Ca -0.15 0.21 0.12 0.00 0.70 0.00 0.00 55.95 56.83 2a81 s SER 59 Cb 0.10 1.09 0.69 0.00 -1.71 0.00 0.00 66.02 66.19 2a81 s SER 59 CO 0.65 -0.03 1.15 0.00 1.20 0.00 0.00 173.24 176.20 2a81 n ALA 60 N 3.54 2.14 -0.19 5.45 0.00 -0.00 -1.54 120.51 129.91 2a81 n ALA 60 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2a81 n ALA 60 Cb 0.56 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2a81 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a81 n GLY 61 N 0.12 -0.84 3.92 0.00 0.00 -1.18 -4.53 105.19 102.67 2a81 n GLY 61 Ca 0.09 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 2a81 n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a81 s GLY 62 N -0.67 1.93 -0.15 -0.02 0.00 -1.26 -1.27 107.32 105.87 2a81 s GLY 62 Ca 0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 44.72 43.65 2a81 s GLY 62 CO 0.00 -0.74 2.07 -0.35 0.00 0.00 0.00 173.10 174.09 2a81 s ASP 63 N -2.94 5.83 0.43 1.64 -1.08 -1.26 -4.89 116.67 114.40 2a81 s ASP 63 Ca 0.38 2.05 0.14 0.00 -0.52 0.00 0.00 52.55 54.61 2a81 s ASP 63 Cb -0.11 -2.52 0.94 0.00 -1.46 0.00 0.00 42.92 39.77 2a81 s ASP 63 CO 0.28 -1.64 1.95 -0.26 0.52 0.00 0.00 175.17 176.03 2a81 h PHE 64 N 13.34 0.00 -0.31 -5.34 0.04 -1.97 -0.79 116.94 121.91 2a81 h PHE 64 Ca -0.42 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.33 2a81 h PHE 64 Cb 1.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.36 2a81 h PHE 64 CO 0.94 0.23 0.13 -0.91 -0.60 0.00 0.00 178.31 178.10 2a81 h ASN 65 N 0.00 0.42 -0.02 2.17 2.35 -1.98 -0.06 115.58 118.46 2a81 h ASN 65 Ca -0.00 -0.16 -0.16 0.00 -0.55 0.00 0.00 56.30 55.43 2a81 h ASN 65 Cb 0.40 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2a81 h ASN 65 CO 0.03 0.46 -0.52 -0.33 -1.65 0.00 0.00 177.43 175.43 2a81 h GLU 66 N 0.35 0.59 -0.31 0.81 5.08 -1.90 0.94 114.58 120.15 2a81 h GLU 66 Ca 0.10 -0.36 0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2a81 h GLU 66 Cb 0.17 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2a81 h GLU 66 CO -0.01 0.97 0.13 0.28 -1.00 0.00 0.00 179.01 179.38 2a81 h VAL 67 N 0.46 0.96 0.00 3.13 2.07 -1.13 -2.10 116.25 119.65 2a81 h VAL 67 Ca 0.02 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2a81 h VAL 67 Cb 1.06 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2a81 h VAL 67 CO 0.10 0.05 0.00 0.11 0.02 0.00 0.00 177.57 177.85 2a81 h LYS 68 N 0.28 0.00 0.00 1.57 1.57 -0.82 -3.10 116.57 116.07 2a81 h LYS 68 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2a81 h LYS 68 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2a81 h LYS 68 CO -0.11 0.00 -0.02 1.04 -0.57 0.00 0.00 179.45 179.79 2a81 n GLN 69 N -3.08 0.19 -2.55 3.15 1.13 0.31 -4.81 117.38 111.73 2a81 n GLN 69 Ca 0.01 0.15 -0.43 0.00 -1.94 0.00 0.00 57.00 54.79 2a81 n GLN 69 Cb 0.31 -1.72 -0.02 0.00 0.11 0.00 0.00 30.24 28.92 2a81 n GLN 69 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2a81 s LEU 70 N -4.10 3.88 0.00 1.08 1.43 -1.08 -4.89 118.68 115.01 2a81 s LEU 70 Ca 0.11 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.26 2a81 s LEU 70 Cb 0.14 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.82 2a81 s LEU 70 CO 0.58 -1.01 0.00 -1.54 0.23 0.00 0.00 176.35 174.62 2a81 n SER 71 N 7.29 4.74 -4.79 2.29 3.41 -1.26 -4.92 113.62 120.39 2a81 n SER 71 Ca 0.13 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.39 2a81 n SER 71 Cb 0.47 0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 65.17 2a81 n SER 71 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2a81 s ARG 72 N -1.92 4.04 0.07 4.33 3.00 -1.26 -4.99 118.95 122.22 2a81 s ARG 72 Ca 0.00 1.45 0.08 0.00 0.00 0.00 0.00 55.73 57.26 2a81 s ARG 72 Cb 0.00 -2.37 -0.22 0.00 0.00 0.00 0.00 34.95 32.36 2a81 s ARG 72 CO 0.00 -0.24 1.09 0.66 0.00 0.00 0.00 175.30 176.80 2a81 h SER 73 N 2.15 0.01 0.42 0.23 4.64 -1.93 -3.09 113.55 115.98 2a81 h SER 73 Ca -0.49 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 60.72 2a81 h SER 73 Cb 1.22 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2a81 h SER 73 CO 0.61 1.01 -0.46 -0.33 -0.87 0.00 0.00 176.83 176.79 2a81 h GLU 74 N 0.00 0.06 -0.60 4.77 3.07 -1.94 0.37 114.58 120.30 2a81 h GLU 74 Ca -0.10 -0.03 0.12 0.00 -0.50 0.00 0.00 59.36 58.86 2a81 h GLU 74 Cb 1.85 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 29.66 2a81 h GLU 74 CO 0.12 0.51 0.05 -0.44 -1.40 0.00 0.00 179.01 177.84 2a81 h ASP 75 N 0.05 -0.18 -0.20 1.42 3.32 -1.95 0.47 116.42 119.35 2a81 h ASP 75 Ca -0.00 0.14 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 2a81 h ASP 75 Cb 0.84 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2a81 h ASP 75 CO 0.06 -0.07 -0.48 0.40 -1.72 0.00 0.00 179.24 177.43 2a81 h ILE 76 N 0.16 1.32 0.71 0.35 2.04 -1.22 -2.16 117.51 118.72 2a81 h ILE 76 Ca 0.32 -1.71 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 2a81 h ILE 76 Cb 0.50 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 2a81 h ILE 76 CO -0.48 0.54 -0.46 -0.33 0.00 0.00 0.00 178.15 177.42 2a81 h GLU 77 N 0.37 -1.07 -0.96 2.37 5.08 0.04 0.97 114.58 121.39 2a81 h GLU 77 Ca -0.00 0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.60 2a81 h GLU 77 Cb 1.09 0.24 -0.17 0.00 0.50 0.00 0.00 28.75 30.42 2a81 h GLU 77 CO 0.11 -0.71 -0.32 0.93 -1.00 0.00 0.00 179.01 178.02 2a81 h GLU 78 N -1.11 -0.01 -0.10 2.33 4.39 -0.13 -1.20 114.58 118.75 2a81 h GLU 78 Ca -0.09 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2a81 h GLU 78 Cb 0.90 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.55 2a81 h GLU 78 CO 0.08 -0.01 -0.05 2.35 -1.16 0.00 0.00 179.01 180.23 2a81 h TRP 79 N -0.01 0.25 -0.45 4.33 7.01 -0.85 -1.50 115.95 124.72 2a81 h TRP 79 Ca 0.40 -0.06 0.09 0.00 2.11 0.00 0.00 58.89 61.43 2a81 h TRP 79 Cb 0.65 -0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.57 2a81 h TRP 79 CO -0.81 0.57 -0.08 0.82 -2.79 0.00 0.00 178.44 176.15 2a81 h ILE 80 N -0.15 0.58 -0.47 2.65 2.04 -0.46 -2.05 117.51 119.65 2a81 h ILE 80 Ca 0.02 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.91 2a81 h ILE 80 Cb 0.50 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2a81 h ILE 80 CO 0.01 0.01 0.23 0.44 0.00 0.00 0.00 178.15 178.85 2a81 h ASP 81 N 0.03 0.33 -0.06 1.72 3.32 -1.04 -2.44 116.42 118.29 2a81 h ASP 81 Ca 0.22 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.33 2a81 h ASP 81 Cb 0.34 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 2a81 h ASP 81 CO -0.44 0.24 -0.18 0.03 -1.72 0.00 0.00 179.24 177.17 2a81 h ARG 82 N 0.46 -0.25 -0.27 3.56 3.08 -0.83 -0.54 114.38 119.59 2a81 h ARG 82 Ca 0.21 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.34 2a81 h ARG 82 Cb 0.12 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 2a81 h ARG 82 CO -0.15 -0.17 -0.15 0.28 -1.07 0.00 0.00 179.97 178.71 2a81 h VAL 83 N -0.26 0.54 0.02 2.04 2.07 -1.13 -1.80 116.25 117.73 2a81 h VAL 83 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2a81 h VAL 83 Cb 0.37 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2a81 h VAL 83 CO -0.21 0.00 -0.01 0.40 0.02 0.00 0.00 177.57 177.77 2a81 h ILE 84 N -0.13 1.09 -0.99 4.57 1.08 -1.23 -2.63 117.51 119.27 2a81 h ILE 84 Ca 0.14 -0.34 0.27 0.00 -0.39 0.00 0.00 64.86 64.55 2a81 h ILE 84 Cb 0.35 1.31 -0.13 0.00 -3.07 0.00 0.00 36.82 35.28 2a81 h ILE 84 CO -0.35 0.09 0.56 0.44 -0.69 0.00 0.00 178.15 178.20 2a81 h ASP 85 N -0.18 0.58 0.12 1.72 3.32 -0.77 0.35 116.42 121.56 2a81 h ASP 85 Ca -0.00 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2a81 h ASP 85 Cb 0.17 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2a81 h ASP 85 CO 0.01 0.01 -0.06 0.25 -1.72 0.00 0.00 179.24 177.73 2a81 h LEU 86 N 0.47 -0.14 -0.74 1.55 6.46 -1.03 0.75 115.31 122.63 2a81 h LEU 86 Ca 0.67 -0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 58.35 2a81 h LEU 86 Cb 1.37 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 41.30 2a81 h LEU 86 CO -0.53 -0.05 0.31 1.88 -0.62 0.00 0.00 178.44 179.43 2a81 h TYR 87 N -0.21 1.11 -0.64 1.25 0.05 -0.37 -2.16 116.97 116.00 2a81 h TYR 87 Ca -0.02 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 2a81 h TYR 87 Cb 0.16 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 2a81 h TYR 87 CO -0.06 0.84 0.33 1.96 -1.05 0.00 0.00 178.16 180.19 2a81 h GLN 88 N 1.05 0.91 -1.01 4.88 1.08 -0.36 -2.42 115.11 119.23 2a81 h GLN 88 Ca 0.25 -0.12 0.24 0.00 -1.45 0.00 0.00 58.65 57.57 2a81 h GLN 88 Cb 0.19 -0.17 -0.11 0.00 -0.05 0.00 0.00 27.48 27.34 2a81 h GLN 88 CO -0.02 0.71 0.63 0.00 -0.95 0.00 0.00 178.83 179.19 2a81 h ALA 89 N 1.16 1.97 -0.02 3.87 0.00 -0.19 0.80 119.26 126.84 2a81 h ALA 89 Ca 0.22 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 2a81 h ALA 89 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2a81 h ALA 89 CO -0.03 -0.39 -0.21 0.28 0.00 0.00 0.00 179.25 178.90 2a81 h VAL 90 N 0.53 1.50 0.00 0.00 2.07 -1.25 -3.30 116.25 115.80 2a81 h VAL 90 Ca 0.60 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 2a81 h VAL 90 Cb 1.28 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 33.62 2a81 h VAL 90 CO -0.37 0.49 -0.05 -0.07 0.02 0.00 0.00 177.57 177.59 2a81 h LEU 91 N -0.43 0.00 -1.24 2.57 3.38 -0.62 -1.90 115.31 117.08 2a81 h LEU 91 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2a81 h LEU 91 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2a81 h LEU 91 CO 0.04 0.05 0.00 0.59 0.09 0.00 0.00 178.44 179.21 2a81 n ASN 92 N -3.77 1.90 -4.63 -0.43 3.02 0.11 -4.81 115.26 106.64 2a81 n ASN 92 Ca -0.03 -1.67 -0.43 0.00 -0.03 0.00 0.00 54.58 52.42 2a81 n ASN 92 Cb 0.14 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 2a81 n ASN 92 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2a81 s VAL 93 N -1.89 3.96 -2.00 2.41 1.01 -0.72 -4.89 120.40 118.28 2a81 s VAL 93 Ca 0.35 1.09 0.10 0.00 0.00 0.00 0.00 61.98 63.51 2a81 s VAL 93 Cb 0.20 -3.95 0.27 0.00 0.00 0.00 0.00 36.38 32.90 2a81 s VAL 93 CO 0.30 -0.37 1.29 0.59 0.00 0.00 0.00 175.10 176.92 2a81 n ASN 94 N 7.86 0.00 -4.65 3.32 5.03 -1.26 -4.79 115.26 120.77 2a81 n ASN 94 Ca 0.16 -1.52 -0.26 0.00 0.87 0.00 0.00 54.58 53.84 2a81 n ASN 94 Cb 0.46 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.13 2a81 n ASN 94 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2a81 s LYS 95 N -2.00 2.07 0.50 3.52 1.02 -1.26 -4.54 119.74 119.04 2a81 s LYS 95 Ca 0.14 -1.89 -0.23 0.00 0.02 0.00 0.00 55.97 54.01 2a81 s LYS 95 Cb 0.07 -1.85 -0.06 0.00 -0.52 0.00 0.00 37.83 35.46 2a81 s LYS 95 CO 0.11 0.02 1.40 -2.30 -0.92 0.00 0.00 175.35 173.65 2a81 n PRO 96 N -1.02 1.96 -3.87 -1.68 -0.02 -1.26 -4.85 135.00 124.25 2a81 n PRO 96 Ca -0.04 0.71 -0.25 0.00 -2.02 0.00 0.00 63.50 61.91 2a81 n PRO 96 Cb 0.64 -2.61 -0.17 0.00 -0.02 0.00 0.00 33.50 31.35 2a81 n PRO 96 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2a81 s THR 97 N -1.24 0.70 -0.08 3.45 -4.23 -1.26 -1.03 115.64 111.95 2a81 s THR 97 Ca 0.67 -0.09 0.01 0.00 -1.18 0.00 0.00 61.69 61.09 2a81 s THR 97 Cb -0.43 -0.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.60 2a81 s THR 97 CO 0.53 0.31 -0.09 -0.63 -0.54 0.00 0.00 174.62 174.20 2a81 s ILE 98 N 1.77 3.53 -0.27 2.99 -1.09 -0.01 -1.35 121.20 126.77 2a81 s ILE 98 Ca 0.04 -0.53 -0.05 0.00 -2.23 0.00 0.00 60.65 57.88 2a81 s ILE 98 Cb -0.13 -2.45 0.01 0.00 -1.58 0.00 0.00 42.46 38.32 2a81 s ILE 98 CO -0.06 0.58 0.02 0.00 -1.23 0.00 0.00 174.94 174.25 2a81 s ALA 99 N -0.53 2.94 -0.53 9.38 0.00 -0.36 -1.58 121.76 131.07 2a81 s ALA 99 Ca 0.08 -1.41 -0.18 0.00 0.00 0.00 0.00 51.96 50.45 2a81 s ALA 99 Cb -0.12 -1.96 0.08 0.00 0.00 0.00 0.00 23.12 21.12 2a81 s ALA 99 CO 0.02 -0.81 0.61 0.00 0.00 0.00 0.00 175.76 175.57 2a81 s ALA 100 N 1.45 3.44 -0.31 0.00 0.00 -0.37 -2.03 121.76 123.94 2a81 s ALA 100 Ca 0.02 -2.03 -0.11 0.00 0.00 0.00 0.00 51.96 49.85 2a81 s ALA 100 Cb -0.17 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 2a81 s ALA 100 CO -0.00 -2.09 0.18 0.08 0.00 0.00 0.00 175.76 173.94 2a81 s VAL 101 N 2.42 4.93 0.35 0.00 1.01 -0.05 -3.91 120.40 125.15 2a81 s VAL 101 Ca 0.11 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2a81 s VAL 101 Cb -0.23 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 2a81 s VAL 101 CO 0.08 0.08 0.01 -0.62 0.00 0.00 0.00 175.10 174.66 2a81 s ASP 102 N 1.67 3.03 1.65 3.32 -1.08 -1.26 -0.93 116.67 123.06 2a81 s ASP 102 Ca 0.06 -1.33 0.00 0.00 -0.52 0.00 0.00 52.55 50.76 2a81 s ASP 102 Cb -0.17 -0.22 0.00 0.00 -1.46 0.00 0.00 42.92 41.07 2a81 s ASP 102 CO 0.08 -0.48 0.00 0.61 0.52 0.00 0.00 175.17 175.90 2a81 n GLY 103 N -0.77 2.84 3.50 2.66 0.00 -1.25 -0.78 105.19 111.40 2a81 n GLY 103 Ca -0.04 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 2a81 n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a81 s TYR 104 N 0.00 2.90 -0.38 1.61 2.02 -1.26 -0.60 117.35 121.64 2a81 s TYR 104 Ca 0.00 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2a81 s TYR 104 Cb 0.00 -1.79 0.11 0.00 -0.40 0.00 0.00 41.96 39.88 2a81 s TYR 104 CO 0.00 0.10 0.13 0.00 -1.57 0.00 0.00 175.55 174.21 2a81 s ALA 105 N -0.25 3.04 0.04 3.71 0.00 -0.26 -1.77 121.76 126.28 2a81 s ALA 105 Ca 0.03 -2.57 0.07 0.00 0.00 0.00 0.00 51.96 49.48 2a81 s ALA 105 Cb -0.13 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 2a81 s ALA 105 CO 0.03 -1.76 -0.16 0.42 0.00 0.00 0.00 175.76 174.29 2a81 s ILE 106 N 0.97 2.93 0.00 0.00 1.01 -0.59 -1.32 121.20 124.20 2a81 s ILE 106 Ca 0.10 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.60 2a81 s ILE 106 Cb -0.21 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.01 2a81 s ILE 106 CO -0.06 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.82 2a81 n GLY 107 N 1.48 1.88 0.40 6.18 0.00 -0.68 0.13 105.19 114.60 2a81 n GLY 107 Ca -0.16 0.58 0.19 0.00 0.00 0.00 0.00 46.02 46.64 2a81 n GLY 107 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2a81 h MET 108 N 0.00 0.40 -0.41 1.61 2.86 -1.91 -0.83 114.93 116.65 2a81 h MET 108 Ca 0.00 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 2a81 h MET 108 Cb 0.00 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2a81 h MET 108 CO 0.00 0.26 -0.20 0.78 1.06 0.00 0.00 176.91 178.81 2a81 h GLY 109 N 0.41 0.93 0.73 8.32 0.00 0.96 0.61 103.07 115.04 2a81 h GLY 109 Ca 0.48 -0.84 0.02 0.00 0.00 0.00 0.00 47.33 46.99 2a81 h GLY 109 CO -0.19 0.77 -0.08 -2.75 0.00 0.00 0.00 176.54 174.28 2a81 h PHE 110 N 0.68 -0.21 -0.09 5.60 3.04 -1.21 -2.03 116.94 122.73 2a81 h PHE 110 Ca 0.09 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 2a81 h PHE 110 Cb 0.76 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 39.37 2a81 h PHE 110 CO 0.06 -0.13 0.00 1.96 -2.02 0.00 0.00 178.31 178.18 2a81 h GLN 111 N -0.12 0.16 -0.71 1.11 4.20 -0.83 -2.49 115.11 116.42 2a81 h GLN 111 Ca 0.05 -0.05 0.15 0.00 0.06 0.00 0.00 58.65 58.86 2a81 h GLN 111 Cb 0.19 -0.02 -0.11 0.00 0.30 0.00 0.00 27.48 27.85 2a81 h GLN 111 CO -0.12 0.41 0.16 0.35 -0.67 0.00 0.00 178.83 178.97 2a81 h PHE 112 N -0.11 0.25 -0.66 2.96 3.57 0.20 -0.79 116.94 122.37 2a81 h PHE 112 Ca 0.03 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2a81 h PHE 112 Cb 0.34 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2a81 h PHE 112 CO 0.03 -0.08 0.40 0.00 -2.23 0.00 0.00 178.31 176.43 2a81 h ALA 113 N 1.59 1.46 0.00 2.41 0.00 -1.04 -2.33 119.26 121.35 2a81 h ALA 113 Ca 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2a81 h ALA 113 Cb 0.66 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2a81 h ALA 113 CO -0.50 0.47 0.00 1.28 0.00 0.00 0.00 179.25 180.50 2a81 n LEU 114 N -4.40 0.14 0.17 0.00 4.77 -0.31 -2.23 117.00 115.14 2a81 n LEU 114 Ca 0.07 0.55 0.13 0.00 -0.03 0.00 0.00 56.01 56.72 2a81 n LEU 114 Cb 0.07 -0.54 0.33 0.00 -2.33 0.00 0.00 43.42 40.95 2a81 n LEU 114 CO 0.37 -0.42 0.86 0.24 -1.33 0.00 0.00 177.39 177.11 2a81 h MET 115 N 0.00 0.00 -7.38 3.23 2.86 -1.38 -3.47 114.93 108.80 2a81 h MET 115 Ca 0.00 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.13 2a81 h MET 115 Cb 0.18 0.00 0.06 0.00 0.06 0.00 0.00 31.60 31.90 2a81 h MET 115 CO 0.00 0.00 0.42 -0.06 1.06 0.00 0.00 176.91 178.33 2a81 s PHE 116 N -3.20 3.58 0.16 -0.22 0.40 -0.95 -4.56 117.98 113.20 2a81 s PHE 116 Ca 0.08 1.25 -0.05 0.00 -0.60 0.00 0.00 56.93 57.61 2a81 s PHE 116 Cb 0.09 -2.78 0.02 0.00 0.51 0.00 0.00 43.02 40.86 2a81 s PHE 116 CO 0.61 -0.77 1.43 -0.44 0.70 0.00 0.00 175.22 176.75 2a81 h ASP 117 N -0.38 0.68 -5.13 1.36 3.32 -1.55 -3.46 116.42 111.26 2a81 h ASP 117 Ca -0.44 -0.41 -0.14 0.00 0.02 0.00 0.00 57.03 56.06 2a81 h ASP 117 Cb 1.20 -0.20 -0.17 0.00 0.22 0.00 0.00 39.33 40.38 2a81 h ASP 117 CO 0.62 1.15 -0.68 -1.10 -1.72 0.00 0.00 179.24 177.52 2a81 s GLN 118 N -3.84 0.50 -0.05 3.56 -1.52 -0.86 -5.03 119.66 112.42 2a81 s GLN 118 Ca -0.08 -0.96 -0.02 0.00 -1.95 0.00 0.00 55.36 52.35 2a81 s GLN 118 Cb 0.10 0.18 0.03 0.00 -0.22 0.00 0.00 33.01 33.10 2a81 s GLN 118 CO 0.86 -0.09 0.04 1.03 -0.25 0.00 0.00 175.29 176.87 2a81 s ARG 119 N -2.93 0.17 -0.02 2.91 0.52 -1.26 -1.22 118.95 117.13 2a81 s ARG 119 Ca -0.02 0.27 0.03 0.00 -0.52 0.00 0.00 55.73 55.49 2a81 s ARG 119 Cb 0.01 -0.66 -0.03 0.00 0.52 0.00 0.00 34.95 34.79 2a81 s ARG 119 CO -0.06 -0.31 -0.09 -0.51 0.02 0.00 0.00 175.30 174.35 2a81 s LEU 120 N 2.01 3.04 0.24 2.53 1.43 -0.86 0.60 118.68 127.66 2a81 s LEU 120 Ca 0.04 -0.16 0.09 0.00 -1.03 0.00 0.00 54.13 53.07 2a81 s LEU 120 Cb -0.12 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 2a81 s LEU 120 CO -0.04 0.31 -0.15 0.00 0.23 0.00 0.00 176.35 176.70 2a81 s MET 121 N -1.18 1.46 0.50 1.70 0.23 -0.21 -0.87 119.30 120.93 2a81 s MET 121 Ca 0.15 -1.67 -0.20 0.00 -1.03 0.00 0.00 55.69 52.94 2a81 s MET 121 Cb -0.11 -1.30 -0.08 0.00 -1.53 0.00 0.00 34.83 31.81 2a81 s MET 121 CO 0.05 0.20 1.05 0.00 -2.03 0.00 0.00 175.02 174.29 2a81 s ALA 122 N -2.85 2.84 0.49 3.16 0.00 -0.11 -1.57 121.76 123.71 2a81 s ALA 122 Ca 0.25 0.61 0.18 0.00 0.00 0.00 0.00 51.96 53.00 2a81 s ALA 122 Cb -0.01 -3.26 1.20 0.00 0.00 0.00 0.00 23.12 21.05 2a81 s ALA 122 CO 0.10 -0.41 2.03 0.66 0.00 0.00 0.00 175.76 178.13 2a81 h SER 123 N 1.40 0.16 -0.16 0.00 4.64 -0.64 -2.18 113.55 116.78 2a81 h SER 123 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2a81 h SER 123 Cb 1.22 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2a81 h SER 123 CO 0.59 0.10 0.00 0.35 -0.87 0.00 0.00 176.83 177.00 2a81 n THR 124 N -4.46 0.20 -2.40 2.95 -2.24 -1.26 -4.30 114.28 102.77 2a81 n THR 124 Ca 0.06 -0.38 -0.24 0.00 -2.27 0.00 0.00 64.05 61.23 2a81 n THR 124 Cb 0.37 0.49 0.05 0.00 -2.10 0.00 0.00 70.33 69.14 2a81 n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a81 s ALA 125 N -1.80 3.49 -0.02 6.98 0.00 -0.82 -4.74 121.76 124.85 2a81 s ALA 125 Ca 0.34 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 2a81 s ALA 125 Cb 0.19 -2.37 0.01 0.00 0.00 0.00 0.00 23.12 20.95 2a81 s ALA 125 CO 0.28 -1.04 0.05 -0.80 0.00 0.00 0.00 175.76 174.25 2a81 s ASN 126 N -4.47 -0.03 -0.09 0.00 -0.87 0.23 -3.82 114.94 105.89 2a81 s ASN 126 Ca 0.59 0.10 -0.05 0.00 -1.57 0.00 0.00 52.86 51.93 2a81 s ASN 126 Cb -0.11 0.07 -0.04 0.00 -0.02 0.00 0.00 41.25 41.16 2a81 s ASN 126 CO 0.42 -0.05 0.12 -0.36 -2.57 0.00 0.00 177.10 174.66 2a81 s PHE 127 N 0.33 3.50 -0.07 2.20 0.40 0.35 -1.10 117.98 123.60 2a81 s PHE 127 Ca -0.03 0.43 -0.08 0.00 -0.60 0.00 0.00 56.93 56.65 2a81 s PHE 127 Cb -0.04 -1.88 0.02 0.00 0.51 0.00 0.00 43.02 41.63 2a81 s PHE 127 CO -0.01 0.67 0.21 0.08 0.70 0.00 0.00 175.22 176.88 2a81 s VAL 128 N -1.07 0.02 -0.53 -0.44 1.01 -0.44 0.11 120.40 119.06 2a81 s VAL 128 Ca 0.17 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.08 2a81 s VAL 128 Cb -0.12 -0.35 0.21 0.00 0.00 0.00 0.00 36.38 36.12 2a81 s VAL 128 CO 0.07 -0.07 0.52 0.80 0.00 0.00 0.00 175.10 176.42 2a81 n MET 129 N 2.63 1.27 -0.44 2.72 1.56 -1.26 -1.68 117.12 121.91 2a81 n MET 129 Ca -0.15 -3.84 0.09 0.00 -0.27 0.00 0.00 57.70 53.52 2a81 n MET 129 Cb 0.58 -1.82 0.29 0.00 2.15 0.00 0.00 33.22 34.42 2a81 n MET 129 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 2a81 n PRO 130 N 1.76 2.97 -0.21 2.12 -0.04 -1.26 -4.60 135.00 135.73 2a81 n PRO 130 Ca 0.25 -2.32 -0.04 0.00 -0.04 0.00 0.00 63.50 61.35 2a81 n PRO 130 Cb 0.45 -1.68 0.02 0.00 -0.04 0.00 0.00 33.50 32.25 2a81 n PRO 130 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2a81 h GLU 131 N 3.49 -0.13 -0.08 0.54 3.07 -1.90 0.30 114.58 119.87 2a81 h GLU 131 Ca 0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2a81 h GLU 131 Cb 1.10 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2a81 h GLU 131 CO 0.12 -0.09 0.01 -0.07 -1.40 0.00 0.00 179.01 177.59 2a81 h LEU 132 N -0.13 0.09 -0.84 1.33 3.38 -1.84 -0.04 115.31 117.26 2a81 h LEU 132 Ca 0.25 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 2a81 h LEU 132 Cb 0.54 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2a81 h LEU 132 CO -0.68 0.11 0.17 0.50 0.09 0.00 0.00 178.44 178.63 2a81 h LYS 133 N 0.10 1.04 -0.58 1.13 3.64 -1.28 -2.84 116.57 117.78 2a81 h LYS 133 Ca 0.03 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2a81 h LYS 133 Cb 0.06 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2a81 h LYS 133 CO -0.00 0.91 0.00 0.72 -2.27 0.00 0.00 179.45 178.81 2a81 n HIS 134 N -4.25 0.95 -3.40 1.91 8.25 -0.18 -4.94 115.22 113.57 2a81 n HIS 134 Ca 0.05 -0.40 -0.18 0.00 -0.26 0.00 0.00 57.72 56.93 2a81 n HIS 134 Cb 0.24 -0.13 0.08 0.00 1.12 0.00 0.00 29.99 31.30 2a81 n HIS 134 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a81 n GLY 135 N 1.03 -0.35 3.50 -1.41 0.00 -0.64 -5.03 105.19 102.29 2a81 n GLY 135 Ca 0.18 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 2a81 n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a81 s ILE 136 N -3.32 3.16 1.03 -0.61 -1.09 -0.33 -5.00 121.20 115.05 2a81 s ILE 136 Ca 0.22 -0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 57.73 2a81 s ILE 136 Cb -0.10 -2.28 0.17 0.00 -1.58 0.00 0.00 42.46 38.68 2a81 s ILE 136 CO 0.67 0.52 0.86 0.61 -1.23 0.00 0.00 174.94 176.37 2a81 n GLY 137 N 2.07 -1.42 1.84 6.18 0.00 -1.26 -3.63 105.19 108.97 2a81 n GLY 137 Ca -0.17 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 44.95 2a81 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a81 h SER 139 N 0.95 0.33 -0.57 0.00 0.02 -1.99 -2.29 113.55 110.00 2a81 h SER 139 Ca -0.38 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.46 2a81 h SER 139 Cb 1.49 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.92 2a81 h SER 139 CO -0.08 0.25 -0.02 0.58 -1.14 0.00 0.00 176.83 176.42 2a81 h VAL 140 N 0.38 1.27 0.04 2.27 2.07 -1.92 0.19 116.25 120.55 2a81 h VAL 140 Ca 0.10 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 2a81 h VAL 140 Cb -0.04 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2a81 h VAL 140 CO -0.02 0.42 -0.02 1.23 0.02 0.00 0.00 177.57 179.19 2a81 h GLY 141 N 0.90 -0.06 0.70 2.17 0.00 -1.93 -1.55 103.07 103.30 2a81 h GLY 141 Ca 0.16 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.53 2a81 h GLY 141 CO 0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 176.54 176.44 2a81 h ALA 142 N 0.71 -0.11 -0.30 3.60 0.00 -1.26 0.14 119.26 122.04 2a81 h ALA 142 Ca -0.01 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2a81 h ALA 142 Cb 0.21 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2a81 h ALA 142 CO 0.01 -0.60 -0.14 0.00 0.00 0.00 0.00 179.25 178.52 2a81 h ALA 143 N 0.80 0.10 0.44 0.00 0.00 -0.54 0.24 119.26 120.29 2a81 h ALA 143 Ca 0.05 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2a81 h ALA 143 Cb 0.24 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2a81 h ALA 143 CO -0.12 -0.53 -0.21 0.82 0.00 0.00 0.00 179.25 179.20 2a81 h ILE 144 N -0.10 0.57 -0.35 0.00 2.04 -1.07 -2.61 117.51 115.99 2a81 h ILE 144 Ca 0.16 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 2a81 h ILE 144 Cb 0.34 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2a81 h ILE 144 CO -0.37 0.02 -0.20 0.25 0.00 0.00 0.00 178.15 177.85 2a81 h LEU 145 N -0.65 0.67 -0.87 1.44 5.85 -0.64 -0.58 115.31 120.54 2a81 h LEU 145 Ca -0.06 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.50 2a81 h LEU 145 Cb 0.48 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 2a81 h LEU 145 CO 0.10 0.87 0.54 1.23 -0.34 0.00 0.00 178.44 180.84 2a81 h GLY 146 N 0.98 1.33 0.98 3.75 0.00 -0.55 -0.85 103.07 108.71 2a81 h GLY 146 Ca 0.09 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.88 2a81 h GLY 146 CO 0.05 0.24 -0.49 -2.75 0.00 0.00 0.00 176.54 173.60 2a81 h PHE 147 N 0.96 0.84 0.01 5.60 3.04 -0.80 -0.65 116.94 125.94 2a81 h PHE 147 Ca 0.39 -0.33 -0.22 0.00 3.98 0.00 0.00 57.97 61.79 2a81 h PHE 147 Cb 0.22 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.55 2a81 h PHE 147 CO -0.03 1.11 -1.09 1.79 -2.02 0.00 0.00 178.31 178.07 2a81 h THR 148 N 0.33 1.61 0.00 4.41 1.35 -1.12 -3.40 112.91 116.09 2a81 h THR 148 Ca -0.01 -3.33 0.00 0.00 -0.55 0.00 0.00 66.41 62.52 2a81 h THR 148 Cb 1.10 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 2a81 h THR 148 CO 0.10 0.92 0.00 1.41 -0.25 0.00 0.00 175.52 177.71 2a81 n HIS 149 N -3.33 0.00 0.00 4.73 8.25 -0.33 -5.09 115.22 119.45 2a81 n HIS 149 Ca -0.02 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2a81 n HIS 149 Cb 0.96 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.06 2a81 n HIS 149 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a81 n GLY 150 N -0.05 1.65 0.42 -1.41 0.00 -0.25 -4.53 105.19 101.03 2a81 n GLY 150 Ca 0.00 -1.82 -0.17 0.00 0.00 0.00 0.00 46.02 44.03 2a81 n GLY 150 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2a81 h PHE 151 N 0.00 -0.97 -0.00 1.61 3.57 -1.88 -2.65 116.94 116.62 2a81 h PHE 151 Ca 0.00 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 2a81 h PHE 151 Cb 0.00 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2a81 h PHE 151 CO 0.00 -0.59 -0.30 0.66 -2.23 0.00 0.00 178.31 175.85 2a81 h SER 152 N -1.18 0.01 -0.20 0.41 4.64 -1.95 0.36 113.55 115.63 2a81 h SER 152 Ca -0.11 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.17 2a81 h SER 152 Cb 0.82 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2a81 h SER 152 CO 0.18 0.31 -0.03 0.74 -0.87 0.00 0.00 176.83 177.16 2a81 h THR 153 N 0.01 1.27 -0.30 2.95 2.02 -1.79 -2.44 112.91 114.63 2a81 h THR 153 Ca -0.00 -0.96 0.02 0.00 0.77 0.00 0.00 66.41 66.23 2a81 h THR 153 Cb 0.54 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 2a81 h THR 153 CO 0.04 0.29 0.15 -0.03 0.37 0.00 0.00 175.52 176.34 2a81 h MET 154 N 0.11 0.30 -0.37 6.66 -1.53 -1.00 -2.35 114.93 116.75 2a81 h MET 154 Ca 0.05 -0.02 0.08 0.00 -3.44 0.00 0.00 59.70 56.37 2a81 h MET 154 Cb 0.45 -0.07 -0.09 0.00 -0.55 0.00 0.00 31.60 31.35 2a81 h MET 154 CO 0.02 0.20 -0.28 1.96 0.14 0.00 0.00 176.91 178.94 2a81 h GLN 155 N 0.31 -0.22 -0.13 0.39 4.20 -0.90 -1.39 115.11 117.37 2a81 h GLN 155 Ca 0.12 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.88 2a81 h GLN 155 Cb 0.04 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2a81 h GLN 155 CO -0.08 -0.15 -0.06 1.49 -0.67 0.00 0.00 178.83 179.36 2a81 h GLU 156 N -0.23 -0.05 0.87 1.46 4.81 -1.24 -1.67 114.58 118.53 2a81 h GLU 156 Ca 0.17 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2a81 h GLU 156 Cb 0.51 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.91 2a81 h GLU 156 CO -0.50 -0.03 -0.42 0.82 -0.73 0.00 0.00 179.01 178.15 2a81 h ILE 157 N -0.05 0.12 -0.76 2.32 2.04 -0.94 -0.64 117.51 119.60 2a81 h ILE 157 Ca 0.07 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.96 2a81 h ILE 157 Cb 0.16 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.31 2a81 h ILE 157 CO -0.17 0.00 0.45 0.40 0.00 0.00 0.00 178.15 178.83 2a81 h ILE 158 N -1.20 1.00 0.00 -0.67 5.03 -1.28 -1.15 117.51 119.24 2a81 h ILE 158 Ca -0.12 -0.28 -0.18 0.00 -0.12 0.00 0.00 64.86 64.15 2a81 h ILE 158 Cb 0.90 0.11 -0.03 0.00 -3.03 0.00 0.00 36.82 34.77 2a81 h ILE 158 CO 0.20 0.15 -0.90 1.88 -0.68 0.00 0.00 178.15 178.80 2a81 h TYR 159 N 0.82 0.00 0.02 1.37 0.05 -1.27 -3.30 116.97 114.66 2a81 h TYR 159 Ca 0.33 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.87 2a81 h TYR 159 Cb 0.18 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 2a81 h TYR 159 CO -0.06 0.87 -1.24 1.96 -1.05 0.00 0.00 178.16 178.65 2a81 h GLN 160 N 0.00 0.04 -6.25 4.88 4.20 -0.95 -3.49 115.11 113.53 2a81 h GLN 160 Ca -0.02 -0.06 -0.45 0.00 0.06 0.00 0.00 58.65 58.18 2a81 h GLN 160 Cb 1.68 0.02 0.02 0.00 0.30 0.00 0.00 27.48 29.50 2a81 h GLN 160 CO 0.11 0.90 -0.86 0.00 -0.67 0.00 0.00 178.83 178.31 2a81 s GLN 162 N -6.19 3.20 -0.26 0.00 -0.21 -1.26 -4.86 119.66 110.08 2a81 s GLN 162 Ca 0.04 -0.71 -0.29 0.00 0.02 0.00 0.00 55.36 54.41 2a81 s GLN 162 Cb -0.01 -2.82 -0.00 0.00 1.00 0.00 0.00 33.01 31.17 2a81 s GLN 162 CO 0.85 0.51 1.31 0.45 -2.12 0.00 0.00 175.29 176.28 2a81 s SER 163 N -3.15 6.73 -0.51 5.90 0.15 -1.26 -4.38 113.70 117.18 2a81 s SER 163 Ca 0.33 1.37 -0.17 0.00 0.70 0.00 0.00 55.95 58.17 2a81 s SER 163 Cb -0.11 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.74 2a81 s SER 163 CO 0.26 -1.00 0.54 -0.76 1.20 0.00 0.00 173.24 173.47 2a81 s LEU 164 N 4.18 5.41 0.00 3.45 1.43 0.31 -4.93 118.68 128.54 2a81 s LEU 164 Ca 0.57 -1.24 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 2a81 s LEU 164 Cb -0.19 -2.30 0.21 0.00 0.03 0.00 0.00 46.19 43.94 2a81 s LEU 164 CO 0.21 -0.83 0.93 -0.90 0.23 0.00 0.00 176.35 175.99 2a81 n ASP 165 N 5.73 -1.03 0.13 2.29 5.68 -1.26 -0.49 116.55 127.59 2a81 n ASP 165 Ca -0.10 -1.17 -0.14 0.00 -0.50 0.00 0.00 54.79 52.88 2a81 n ASP 165 Cb 0.44 -0.78 -0.08 0.00 -1.14 0.00 0.00 41.12 39.55 2a81 n ASP 165 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2a81 h ALA 166 N -2.26 -0.31 -0.99 2.12 0.00 -1.75 -1.59 119.26 114.48 2a81 h ALA 166 Ca -0.33 -0.14 0.30 0.00 0.00 0.00 0.00 54.91 54.74 2a81 h ALA 166 Cb 0.95 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 2a81 h ALA 166 CO 0.22 -0.58 0.53 -1.35 0.00 0.00 0.00 179.25 178.07 2a81 h PRO 167 N -0.52 0.34 -0.22 0.00 0.11 -1.94 0.41 132.00 130.17 2a81 h PRO 167 Ca -0.03 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.89 2a81 h PRO 167 Cb 0.38 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 2a81 h PRO 167 CO 0.05 0.22 -0.55 -0.09 -0.21 0.00 0.00 178.00 177.43 2a81 h ARG 168 N 0.35 0.68 -0.43 1.05 9.65 -1.78 -2.01 114.38 121.89 2a81 h ARG 168 Ca 0.70 -0.43 -0.12 0.00 -1.10 0.00 0.00 59.98 59.04 2a81 h ARG 168 Cb 1.53 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 30.15 2a81 h ARG 168 CO -0.59 1.05 -0.20 0.00 2.80 0.00 0.00 179.97 183.03 2a81 h VAL 170 N 0.74 1.17 -0.99 0.00 2.07 -0.97 0.12 116.25 118.40 2a81 h VAL 170 Ca 0.11 -0.53 0.12 0.00 0.82 0.00 0.00 66.70 67.21 2a81 h VAL 170 Cb 0.72 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 2a81 h VAL 170 CO 0.06 0.17 0.62 -0.78 0.02 0.00 0.00 177.57 177.66 2a81 h ASP 171 N 0.21 0.91 1.06 0.57 3.58 -1.24 -0.73 116.42 120.78 2a81 h ASP 171 Ca 0.08 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2a81 h ASP 171 Cb 0.19 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2a81 h ASP 171 CO -0.01 0.49 -0.01 -1.22 -2.88 0.00 0.00 179.24 175.61 2a81 n TYR 172 N -4.63 0.14 -3.61 0.28 4.01 -0.51 -4.93 117.16 107.90 2a81 n TYR 172 Ca 0.18 0.04 -0.22 0.00 -0.16 0.00 0.00 57.90 57.74 2a81 n TYR 172 Cb 0.34 -0.56 0.07 0.00 -0.31 0.00 0.00 39.34 38.88 2a81 n TYR 172 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2a81 n ARG 173 N -1.61 -6.62 0.18 -0.72 0.63 -0.11 -4.92 116.66 103.48 2a81 n ARG 173 Ca 0.07 0.76 0.12 0.00 -0.92 0.00 0.00 57.85 57.88 2a81 n ARG 173 Cb 0.35 -5.69 0.12 0.00 0.45 0.00 0.00 32.46 27.70 2a81 n ARG 173 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2a81 h LEU 174 N -2.20 0.00 -8.56 6.15 3.38 -1.10 -3.47 115.31 109.51 2a81 h LEU 174 Ca -0.59 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.11 2a81 h LEU 174 Cb 1.36 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.96 2a81 h LEU 174 CO 0.56 0.00 -0.69 0.68 0.09 0.00 0.00 178.44 179.08 2a81 s VAL 175 N -3.25 0.81 -0.54 1.22 -7.23 -1.26 -4.84 120.40 105.31 2a81 s VAL 175 Ca 0.05 -1.98 0.22 0.00 -1.81 0.00 0.00 61.98 58.46 2a81 s VAL 175 Cb 0.07 -1.85 -0.20 0.00 0.56 0.00 0.00 36.38 34.96 2a81 s VAL 175 CO 0.71 -0.73 0.85 0.59 -0.31 0.00 0.00 175.10 176.20 2a81 n ASN 176 N -0.14 0.55 -3.56 4.85 4.13 0.20 -4.87 115.26 116.43 2a81 n ASN 176 Ca -0.10 -0.34 -0.15 0.00 1.68 0.00 0.00 54.58 55.66 2a81 n ASN 176 Cb 0.61 1.17 -0.06 0.00 -1.54 0.00 0.00 39.78 39.96 2a81 n ASN 176 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2a81 s GLN 177 N -3.24 0.89 -0.10 3.52 0.74 -1.17 -5.01 119.66 115.30 2a81 s GLN 177 Ca 0.01 0.36 0.02 0.00 0.05 0.00 0.00 55.36 55.80 2a81 s GLN 177 Cb 0.15 0.42 0.02 0.00 1.10 0.00 0.00 33.01 34.69 2a81 s GLN 177 CO 0.85 -0.25 -0.13 0.08 -0.55 0.00 0.00 175.29 175.28 2a81 s VAL 178 N -0.87 1.34 0.31 1.34 1.01 -1.26 -1.05 120.40 121.24 2a81 s VAL 178 Ca -0.07 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.41 2a81 s VAL 178 Cb -0.01 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 2a81 s VAL 178 CO 0.06 0.41 0.22 0.68 0.00 0.00 0.00 175.10 176.47 2a81 s VAL 179 N 1.01 0.10 0.54 2.92 -7.23 -0.61 -4.87 120.40 112.26 2a81 s VAL 179 Ca -0.07 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.90 2a81 s VAL 179 Cb -0.15 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 2a81 s VAL 179 CO -0.01 0.00 1.19 -1.61 -0.31 0.00 0.00 175.10 174.36 2a81 s GLU 180 N -3.64 3.31 0.22 4.82 0.41 -1.26 0.12 118.70 122.69 2a81 s GLU 180 Ca 0.38 1.80 -0.07 0.00 -0.41 0.00 0.00 54.97 56.66 2a81 s GLU 180 Cb 0.03 -2.12 0.35 0.00 -1.78 0.00 0.00 34.13 30.61 2a81 s GLU 180 CO 0.22 -0.92 1.74 0.77 -0.49 0.00 0.00 175.26 176.58 2a81 h SER 181 N 1.36 0.26 -0.43 -0.19 0.02 -1.93 -0.35 113.55 112.29 2a81 h SER 181 Ca -0.50 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2a81 h SER 181 Cb 1.27 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 2a81 h SER 181 CO 0.57 0.14 0.28 0.77 -1.14 0.00 0.00 176.83 177.45 2a81 h SER 182 N 0.44 0.41 0.94 3.07 4.64 -2.03 -2.77 113.55 118.24 2a81 h SER 182 Ca 0.35 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2a81 h SER 182 Cb 0.46 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2a81 h SER 182 CO -0.34 0.28 -0.62 0.00 -0.87 0.00 0.00 176.83 175.28 2a81 h ALA 183 N 1.75 0.60 -0.14 5.18 0.00 -1.47 -3.42 119.26 121.76 2a81 h ALA 183 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2a81 h ALA 183 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2a81 h ALA 183 CO -0.04 0.00 -0.02 1.25 0.00 0.00 0.00 179.25 180.43 2a81 h LEU 184 N 0.00 -0.11 -0.12 0.00 5.85 -0.96 -2.19 115.31 117.78 2a81 h LEU 184 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2a81 h LEU 184 Cb 0.78 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 2a81 h LEU 184 CO 0.00 -0.03 0.03 0.25 -0.34 0.00 0.00 178.44 178.35 2a81 h LEU 185 N 0.01 0.18 -0.69 2.25 5.85 -1.81 -1.46 115.31 119.65 2a81 h LEU 185 Ca 0.07 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.64 2a81 h LEU 185 Cb 0.10 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 2a81 h LEU 185 CO -0.14 0.36 0.34 0.44 -0.34 0.00 0.00 178.44 179.11 2a81 h ASP 186 N -0.01 0.46 -0.61 1.25 3.32 -1.85 -1.03 116.42 117.95 2a81 h ASP 186 Ca 0.04 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.21 2a81 h ASP 186 Cb 0.25 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 2a81 h ASP 186 CO 0.00 0.27 0.30 0.00 -1.72 0.00 0.00 179.24 178.10 2a81 h ALA 187 N 1.41 0.81 -0.35 3.45 0.00 -1.01 -0.89 119.26 122.67 2a81 h ALA 187 Ca 0.33 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 2a81 h ALA 187 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2a81 h ALA 187 CO -0.25 -0.06 0.01 0.00 0.00 0.00 0.00 179.25 178.96 2a81 h ALA 188 N 1.35 0.48 -0.98 0.00 0.00 -0.53 -2.57 119.26 117.01 2a81 h ALA 188 Ca 0.28 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2a81 h ALA 188 Cb 0.23 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2a81 h ALA 188 CO -0.21 0.23 0.64 0.82 0.00 0.00 0.00 179.25 180.73 2a81 h ILE 189 N 0.44 1.15 -0.14 0.00 2.04 -0.90 -1.52 117.51 118.57 2a81 h ILE 189 Ca 0.10 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2a81 h ILE 189 Cb 0.44 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2a81 h ILE 189 CO 0.02 0.22 0.05 0.74 0.00 0.00 0.00 178.15 179.18 2a81 h THR 190 N 1.22 1.17 -0.80 -0.27 2.02 -0.88 0.77 112.91 116.13 2a81 h THR 190 Ca 0.40 -0.52 0.16 0.00 0.77 0.00 0.00 66.41 67.22 2a81 h THR 190 Cb 0.04 1.26 -0.10 0.00 -1.74 0.00 0.00 68.15 67.61 2a81 h THR 190 CO -0.14 0.16 0.34 1.56 0.37 0.00 0.00 175.52 177.81 2a81 h GLN 191 N 0.05 0.45 -0.51 6.66 1.08 -1.27 -0.68 115.11 120.88 2a81 h GLN 191 Ca 0.05 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2a81 h GLN 191 Cb 0.20 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 2a81 h GLN 191 CO -0.00 0.30 0.13 0.00 -0.95 0.00 0.00 178.83 178.31 2a81 h ALA 192 N 1.58 0.68 -0.87 3.87 0.00 -0.49 -1.08 119.26 122.95 2a81 h ALA 192 Ca 0.45 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2a81 h ALA 192 Cb 0.72 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2a81 h ALA 192 CO -0.43 0.36 0.53 0.45 0.00 0.00 0.00 179.25 180.16 2a81 h HIS 193 N 0.71 1.13 0.27 0.00 3.86 -0.22 0.24 115.15 121.15 2a81 h HIS 193 Ca 0.16 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2a81 h HIS 193 Cb 0.32 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.42 2a81 h HIS 193 CO 0.02 0.75 -0.13 0.28 0.86 0.00 0.00 177.93 179.71 2a81 h VAL 194 N 1.19 0.77 0.00 2.45 2.07 -0.87 -2.20 116.25 119.66 2a81 h VAL 194 Ca 0.31 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 2a81 h VAL 194 Cb -0.06 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2a81 h VAL 194 CO -0.06 0.07 -0.44 0.24 0.02 0.00 0.00 177.57 177.40 2a81 h MET 195 N -0.53 0.00 0.00 1.57 2.86 -1.09 -2.66 114.93 115.09 2a81 h MET 195 Ca -0.04 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2a81 h MET 195 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2a81 h MET 195 CO 0.06 0.44 -0.18 0.00 1.06 0.00 0.00 176.91 178.29 2a81 h ALA 196 N 1.56 1.31 0.00 6.32 0.00 -0.43 -2.54 119.26 125.49 2a81 h ALA 196 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2a81 h ALA 196 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2a81 h ALA 196 CO 0.06 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 2a81 n SER 197 N -3.76 0.00 -4.69 0.00 3.41 -0.84 -4.80 113.62 102.94 2a81 n SER 197 Ca -0.02 -0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.16 2a81 n SER 197 Cb 0.29 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 2a81 n SER 197 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2a81 s TYR 198 N -2.65 3.20 -0.43 7.33 2.02 -0.96 -4.93 117.35 120.94 2a81 s TYR 198 Ca 0.25 1.18 -0.39 0.00 -0.37 0.00 0.00 57.07 57.73 2a81 s TYR 198 Cb 0.19 -3.46 -0.17 0.00 -0.40 0.00 0.00 41.96 38.12 2a81 s TYR 198 CO 0.45 -1.47 1.50 -2.30 -1.57 0.00 0.00 175.55 172.15 2a81 n PRO 199 N 4.90 0.00 0.22 -1.71 -0.02 -1.26 -4.80 135.00 132.34 2a81 n PRO 199 Ca 0.11 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.43 2a81 n PRO 199 Cb 0.46 -1.28 -0.08 0.00 -0.02 0.00 0.00 33.50 32.58 2a81 n PRO 199 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a81 h ALA 200 N 5.23 -0.77 -0.36 3.55 0.00 -1.91 -2.14 119.26 122.86 2a81 h ALA 200 Ca -0.29 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.57 2a81 h ALA 200 Cb 1.18 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 2a81 h ALA 200 CO 0.86 -0.97 -0.19 0.66 0.00 0.00 0.00 179.25 179.61 2a81 h SER 201 N -0.74 -0.64 -0.92 0.00 4.64 -2.00 0.29 113.55 114.19 2a81 h SER 201 Ca -0.02 0.14 0.01 0.00 -0.47 0.00 0.00 61.79 61.45 2a81 h SER 201 Cb 0.67 0.34 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 2a81 h SER 201 CO -0.08 -0.22 0.60 0.00 -0.87 0.00 0.00 176.83 176.26 2a81 h ALA 202 N 1.11 1.17 -0.01 5.18 0.00 -1.93 -2.26 119.26 122.52 2a81 h ALA 202 Ca 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2a81 h ALA 202 Cb 0.41 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2a81 h ALA 202 CO -0.44 0.58 -0.00 0.35 0.00 0.00 0.00 179.25 179.74 2a81 h PHE 203 N 1.25 0.02 0.07 0.00 3.57 -0.47 -2.95 116.94 118.44 2a81 h PHE 203 Ca 0.34 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.84 2a81 h PHE 203 Cb -0.13 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2a81 h PHE 203 CO -0.01 0.34 -0.08 0.82 -2.23 0.00 0.00 178.31 177.16 2a81 h ILE 204 N -0.30 0.82 -0.15 1.41 2.04 -0.36 0.52 117.51 121.49 2a81 h ILE 204 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2a81 h ILE 204 Cb 0.34 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2a81 h ILE 204 CO 0.00 0.00 -0.09 0.78 0.00 0.00 0.00 178.15 178.84 2a81 h ASN 205 N -0.17 0.21 0.12 1.72 4.21 -1.52 -0.14 115.58 120.01 2a81 h ASN 205 Ca 0.01 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.48 2a81 h ASN 205 Cb 0.17 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 2a81 h ASN 205 CO -0.03 0.33 -0.06 0.74 -1.29 0.00 0.00 177.43 177.13 2a81 h THR 206 N 0.22 1.07 -0.83 2.81 2.02 -1.28 -2.75 112.91 114.17 2a81 h THR 206 Ca 0.05 -1.01 0.09 0.00 0.77 0.00 0.00 66.41 66.30 2a81 h THR 206 Cb 0.31 1.68 -0.07 0.00 -1.74 0.00 0.00 68.15 68.33 2a81 h THR 206 CO 0.02 0.23 0.49 0.50 0.37 0.00 0.00 175.52 177.13 2a81 h LYS 207 N -0.66 0.81 -0.27 6.66 3.64 -0.54 0.59 116.57 126.81 2a81 h LYS 207 Ca -0.02 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2a81 h LYS 207 Cb 0.50 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 2a81 h LYS 207 CO 0.03 0.53 0.03 -0.09 -2.27 0.00 0.00 179.45 177.68 2a81 h ARG 208 N 0.83 0.12 -0.81 1.90 2.43 -1.07 0.11 114.38 117.89 2a81 h ARG 208 Ca 0.39 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.58 2a81 h ARG 208 Cb 0.33 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 2a81 h ARG 208 CO -0.23 0.08 0.53 0.00 -1.51 0.00 0.00 179.97 178.84 2a81 h ALA 209 N 1.21 1.05 0.02 2.80 0.00 -0.88 -1.80 119.26 121.67 2a81 h ALA 209 Ca 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2a81 h ALA 209 Cb 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2a81 h ALA 209 CO -0.19 0.38 -0.01 0.28 0.00 0.00 0.00 179.25 179.71 2a81 h VAL 210 N 1.05 1.21 0.00 0.00 2.07 -0.20 -3.16 116.25 117.21 2a81 h VAL 210 Ca 0.31 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2a81 h VAL 210 Cb -0.04 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2a81 h VAL 210 CO -0.09 0.18 0.00 0.59 0.02 0.00 0.00 177.57 178.27 2a81 n ASN 211 N -4.96 0.18 0.21 0.57 4.13 0.32 -4.12 115.26 111.60 2a81 n ASN 211 Ca -0.08 0.52 -0.15 0.00 1.68 0.00 0.00 54.58 56.55 2a81 n ASN 211 Cb 0.18 -0.57 -0.07 0.00 -1.54 0.00 0.00 39.78 37.77 2a81 n ASN 211 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2a81 h LYS 212 N 0.00 -0.68 -0.79 3.52 3.64 -1.29 0.26 116.57 121.23 2a81 h LYS 212 Ca 0.00 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.54 2a81 h LYS 212 Cb 0.49 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 2a81 h LYS 212 CO 0.00 -0.46 0.52 -1.00 -2.27 0.00 0.00 179.45 176.24 2a81 h PRO 213 N -0.71 0.62 0.02 1.90 0.13 -1.77 -0.20 132.00 131.99 2a81 h PRO 213 Ca -0.02 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2a81 h PRO 213 Cb 0.65 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2a81 h PRO 213 CO -0.07 0.41 -0.01 0.35 -0.23 0.00 0.00 178.00 178.46 2a81 h PHE 214 N 0.64 -0.02 -0.30 1.56 3.04 -1.60 -0.36 116.94 119.90 2a81 h PHE 214 Ca 0.37 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.36 2a81 h PHE 214 Cb 0.57 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.06 2a81 h PHE 214 CO -0.00 0.12 0.10 0.82 -2.02 0.00 0.00 178.31 177.34 2a81 h ILE 215 N -0.16 0.92 -0.70 1.41 2.04 -0.24 -1.44 117.51 119.34 2a81 h ILE 215 Ca -0.00 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.82 2a81 h ILE 215 Cb 0.15 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2a81 h ILE 215 CO 0.00 0.04 0.46 -0.74 0.00 0.00 0.00 178.15 177.92 2a81 h HIS 216 N 0.24 0.77 -0.29 1.37 2.76 -0.88 -0.77 115.15 118.35 2a81 h HIS 216 Ca 0.13 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 2a81 h HIS 216 Cb 0.10 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 2a81 h HIS 216 CO -0.13 0.43 0.05 1.25 -1.30 0.00 0.00 177.93 178.23 2a81 h LEU 217 N 0.79 0.46 -1.69 0.26 5.85 -0.32 -1.71 115.31 118.96 2a81 h LEU 217 Ca 0.29 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2a81 h LEU 217 Cb 0.15 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2a81 h LEU 217 CO -0.09 0.60 0.15 -0.07 -0.34 0.00 0.00 178.44 178.69 2a81 h LEU 218 N 0.30 0.31 -0.42 2.25 3.38 -0.17 0.53 115.31 121.50 2a81 h LEU 218 Ca 0.09 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 2a81 h LEU 218 Cb 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2a81 h LEU 218 CO 0.01 0.25 -0.42 -0.08 0.09 0.00 0.00 178.44 178.29 2a81 h GLU 219 N 0.36 0.87 -0.30 1.13 4.57 -0.87 -1.17 114.58 119.18 2a81 h GLU 219 Ca 0.10 -0.47 -0.05 0.00 -1.18 0.00 0.00 59.36 57.75 2a81 h GLU 219 Cb 0.00 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2a81 h GLU 219 CO -0.02 1.12 -0.02 1.96 -1.18 0.00 0.00 179.01 180.88 2a81 h GLN 220 N 0.70 0.54 -0.37 1.92 4.20 -0.40 -2.69 115.11 119.00 2a81 h GLN 220 Ca 0.05 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 2a81 h GLN 220 Cb 1.00 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 2a81 h GLN 220 CO 0.10 0.69 0.23 1.15 -0.67 0.00 0.00 178.83 180.33 2a81 h THR 221 N 0.32 1.11 0.32 -0.54 2.02 -0.90 -1.81 112.91 113.43 2a81 h THR 221 Ca 0.08 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2a81 h THR 221 Cb 0.46 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2a81 h THR 221 CO 0.02 0.11 -0.19 -0.09 0.37 0.00 0.00 175.52 175.73 2a81 h ARG 222 N 0.51 -0.47 -0.78 6.66 2.43 -0.89 -0.57 114.38 121.27 2a81 h ARG 222 Ca 0.14 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2a81 h ARG 222 Cb -0.03 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 2a81 h ARG 222 CO -0.03 -0.31 0.50 -0.44 -1.51 0.00 0.00 179.97 178.18 2a81 h ASP 223 N -0.49 0.91 -0.02 -3.80 5.19 -1.21 -2.91 116.42 114.08 2a81 h ASP 223 Ca -0.03 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 2a81 h ASP 223 Cb 0.40 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.69 2a81 h ASP 223 CO 0.04 0.67 -0.02 0.00 -3.12 0.00 0.00 179.24 176.81 2a81 h ALA 224 N 1.27 0.03 0.00 3.45 0.00 -1.27 -0.55 119.26 122.19 2a81 h ALA 224 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2a81 h ALA 224 Cb -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2a81 h ALA 224 CO -0.06 -0.19 0.07 0.77 0.00 0.00 0.00 179.25 179.84 2a81 h SER 225 N -0.44 0.00 0.00 0.00 0.02 -1.06 -0.47 113.55 111.60 2a81 h SER 225 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a81 h SER 225 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2a81 h SER 225 CO 0.01 0.00 -1.34 0.29 -1.14 0.00 0.00 176.83 174.64 2a81 n LYS 226 N -2.97 0.56 0.08 3.45 5.02 -1.11 -3.52 118.16 119.67 2a81 n LYS 226 Ca -0.03 -0.08 -0.06 0.00 -2.02 0.00 0.00 58.31 56.12 2a81 n LYS 226 Cb 0.13 -1.45 0.08 0.00 -0.02 0.00 0.00 35.03 33.78 2a81 n LYS 226 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a81 h ALA 227 N 2.39 0.75 -1.83 7.82 0.00 0.44 -3.35 119.26 125.50 2a81 h ALA 227 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2a81 h ALA 227 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2a81 h ALA 227 CO 0.00 0.77 0.00 0.28 0.00 0.00 0.00 179.25 180.30 2a81 n VAL 228 N -3.82 0.00 -1.29 0.00 0.31 -0.48 -3.29 118.33 109.77 2a81 n VAL 228 Ca -0.03 1.20 -0.35 0.00 -0.01 0.00 0.00 64.34 65.15 2a81 n VAL 228 Cb 0.67 -2.03 -0.05 0.00 -0.91 0.00 0.00 33.84 31.51 2a81 n VAL 228 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2a81 n HIS 229 N -1.32 2.03 0.00 3.52 8.25 -1.23 -2.90 115.22 123.58 2a81 n HIS 229 Ca 0.00 -2.82 0.00 0.00 -0.26 0.00 0.00 57.72 54.64 2a81 n HIS 229 Cb 0.00 -2.32 0.00 0.00 1.12 0.00 0.00 29.99 28.79 2a81 n HIS 229 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2a81 n LYS 230 N 3.31 0.00 0.00 -0.41 5.02 -1.24 -4.94 118.16 119.89 2a81 n LYS 230 Ca 0.72 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 57.05 2a81 n LYS 230 Cb 0.34 -0.17 0.20 0.00 -0.02 0.00 0.00 35.03 35.38 2a81 n LYS 230 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88