#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6h h SER 2 N 0.00 0.00 -3.32 1.61 4.64 -2.09 -3.46 113.55 110.94 1r6h h SER 2 Ca 0.00 -0.55 -0.65 0.00 -0.47 0.00 0.00 61.79 60.12 1r6h h SER 2 Cb 0.00 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 61.83 1r6h h SER 2 CO 0.00 0.88 -0.75 -2.28 -0.87 0.00 0.00 176.83 173.81 1r6h s HIS 3 N -2.02 2.85 0.17 4.77 5.65 -1.26 -5.08 115.29 120.36 1r6h s HIS 3 Ca -0.14 -0.60 -0.32 0.00 0.25 0.00 0.00 55.06 54.25 1r6h s HIS 3 Cb -0.01 -1.87 -0.11 0.00 -1.18 0.00 0.00 32.58 29.42 1r6h s HIS 3 CO 0.42 -0.19 1.70 1.41 -0.65 0.00 0.00 174.74 177.43 1r6h s MET 4 N 0.38 4.15 -0.16 2.88 -2.45 -1.26 -4.90 119.30 117.94 1r6h s MET 4 Ca -0.10 2.53 -0.04 0.00 -1.25 0.00 0.00 55.69 56.83 1r6h s MET 4 Cb -0.16 -3.22 -0.08 0.00 1.25 0.00 0.00 34.83 32.62 1r6h s MET 4 CO 0.05 -0.73 -0.18 0.00 1.05 0.00 0.00 175.02 175.21 1r6h n ALA 5 N 4.37 1.82 -1.64 4.11 0.00 -1.26 -5.02 120.51 122.89 1r6h n ALA 5 Ca 0.16 -0.66 -0.33 0.00 0.00 0.00 0.00 53.44 52.61 1r6h n ALA 5 Cb 0.37 0.22 0.02 0.00 0.00 0.00 0.00 19.45 20.06 1r6h n ALA 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1r6h s ARG 6 N -2.31 3.23 0.61 0.00 6.06 -1.26 -5.03 118.95 120.25 1r6h s ARG 6 Ca -0.22 1.19 -0.14 0.00 -2.50 0.00 0.00 55.73 54.05 1r6h s ARG 6 Cb 0.07 -2.02 -0.03 0.00 0.06 0.00 0.00 34.95 33.03 1r6h s ARG 6 CO 0.32 -0.88 1.04 -1.64 -2.50 0.00 0.00 175.30 171.64 1r6h s MET 7 N -4.19 3.34 0.00 5.12 -1.94 -1.26 -5.03 119.30 115.34 1r6h s MET 7 Ca 0.63 1.08 0.00 0.00 -1.71 0.00 0.00 55.69 55.70 1r6h s MET 7 Cb -0.16 -2.04 0.00 0.00 2.01 0.00 0.00 34.83 34.64 1r6h s MET 7 CO 0.39 -0.78 0.00 0.09 -0.01 0.00 0.00 175.02 174.71 1r6h n ASN 8 N -2.25 0.00 -4.73 3.03 3.02 -1.26 -4.94 115.26 108.14 1r6h n ASN 8 Ca 0.08 0.31 -0.33 0.00 -0.03 0.00 0.00 54.58 54.61 1r6h n ASN 8 Cb 0.53 -0.35 -0.08 0.00 -0.61 0.00 0.00 39.78 39.27 1r6h n ASN 8 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1r6h s ARG 9 N -0.69 2.96 -0.75 3.52 3.52 -1.26 -5.02 118.95 121.24 1r6h s ARG 9 Ca 0.00 -0.50 -0.25 0.00 -0.13 0.00 0.00 55.73 54.85 1r6h s ARG 9 Cb 0.00 -2.79 -0.16 0.00 -1.56 0.00 0.00 34.95 30.45 1r6h s ARG 9 CO 0.00 0.66 2.45 -2.30 -0.81 0.00 0.00 175.30 175.30 1r6h n PRO 10 N 1.54 0.55 -2.56 5.12 -0.02 -1.26 -4.91 135.00 133.45 1r6h n PRO 10 Ca -0.15 -0.19 -0.35 0.00 -2.02 0.00 0.00 63.50 60.79 1r6h n PRO 10 Cb 0.53 -2.71 -0.04 0.00 -0.02 0.00 0.00 33.50 31.26 1r6h n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r6h s ALA 11 N 10.47 2.96 0.75 3.55 0.00 -1.26 -4.66 121.76 133.57 1r6h s ALA 11 Ca 1.11 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.59 1r6h s ALA 11 Cb -0.52 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.39 1r6h s ALA 11 CO 0.32 -0.25 1.08 -1.25 0.00 0.00 0.00 175.76 175.66 1r6h s PRO 12 N -2.95 2.43 -0.08 0.00 0.04 -1.26 -4.89 135.00 128.30 1r6h s PRO 12 Ca 0.63 0.97 -0.03 0.00 0.04 0.00 0.00 61.00 62.61 1r6h s PRO 12 Cb -0.18 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.47 1r6h s PRO 12 CO 0.22 -1.46 0.17 0.08 0.04 0.00 0.00 177.00 176.05 1r6h s VAL 13 N -3.00 -0.11 -0.29 -0.36 1.01 0.13 -4.96 120.40 112.81 1r6h s VAL 13 Ca 0.60 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.71 1r6h s VAL 13 Cb -0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 1r6h s VAL 13 CO 0.55 0.09 0.13 -1.61 0.00 0.00 0.00 175.10 174.26 1r6h s GLU 14 N 1.49 3.39 -0.26 2.72 8.01 -1.26 0.13 118.70 132.91 1r6h s GLU 14 Ca -0.06 -0.67 -0.07 0.00 0.01 0.00 0.00 54.97 54.18 1r6h s GLU 14 Cb -0.12 -3.49 -0.01 0.00 -4.31 0.00 0.00 34.13 26.20 1r6h s GLU 14 CO -0.06 -0.36 0.07 0.08 0.01 0.00 0.00 175.26 174.99 1r6h s VAL 15 N 1.60 4.14 0.01 2.63 1.01 0.71 -4.91 120.40 125.59 1r6h s VAL 15 Ca 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1r6h s VAL 15 Cb -0.17 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 1r6h s VAL 15 CO 0.05 0.26 0.03 -0.94 0.00 0.00 0.00 175.10 174.50 1r6h s SER 16 N 1.57 0.16 0.03 3.32 1.04 -1.26 0.52 113.70 119.08 1r6h s SER 16 Ca 0.05 -0.38 -0.06 0.00 0.48 0.00 0.00 55.95 56.04 1r6h s SER 16 Cb -0.16 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 1r6h s SER 16 CO 0.03 -0.31 0.11 -0.72 0.98 0.00 0.00 173.24 173.32 1r6h s TYR 17 N -1.38 0.16 0.00 5.02 1.13 -1.09 -5.01 117.35 116.19 1r6h s TYR 17 Ca -0.15 -0.40 0.00 0.00 -1.41 0.00 0.00 57.07 55.11 1r6h s TYR 17 Cb -0.09 -0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.66 1r6h s TYR 17 CO -0.00 -0.35 0.00 0.36 -2.51 0.00 0.00 175.55 173.05 1r6h n LYS 18 N 0.94 0.00 0.00 -3.49 2.85 -1.26 -1.87 118.16 115.33 1r6h n LYS 18 Ca -0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 1r6h n LYS 18 Cb 0.58 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.96 1r6h n LYS 18 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1r6h n HIS 19 N 0.00 0.00 -1.48 5.58 8.25 -1.26 -5.08 115.22 121.24 1r6h n HIS 19 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1r6h n HIS 19 Cb 0.00 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.21 1r6h n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r6h s MET 20 N -1.64 1.99 0.09 -0.41 0.23 -0.78 -4.78 119.30 114.00 1r6h s MET 20 Ca 0.00 0.71 -0.04 0.00 -1.03 0.00 0.00 55.69 55.34 1r6h s MET 20 Cb 0.00 -1.90 -0.03 0.00 -1.53 0.00 0.00 34.83 31.37 1r6h s MET 20 CO 0.00 -1.70 0.07 1.03 -2.03 0.00 0.00 175.02 172.39 1r6h s ARG 21 N -5.10 0.78 -0.04 3.16 0.52 -1.14 -2.66 118.95 114.48 1r6h s ARG 21 Ca 0.61 -1.19 -0.04 0.00 -0.52 0.00 0.00 55.73 54.59 1r6h s ARG 21 Cb -0.15 0.27 0.01 0.00 0.52 0.00 0.00 34.95 35.59 1r6h s ARG 21 CO 0.55 -0.21 0.11 -0.06 0.02 0.00 0.00 175.30 175.70 1r6h s PHE 22 N -3.93 -0.10 -0.09 -0.53 0.08 0.18 -3.66 117.98 109.93 1r6h s PHE 22 Ca 0.11 0.25 0.02 0.00 0.12 0.00 0.00 56.93 57.43 1r6h s PHE 22 Cb 0.07 0.03 -0.02 0.00 -0.57 0.00 0.00 43.02 42.53 1r6h s PHE 22 CO -0.07 -0.07 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.32 1r6h s LEU 23 N -0.04 2.66 -0.31 -0.37 2.01 0.17 -0.21 118.68 122.59 1r6h s LEU 23 Ca -0.01 -0.29 0.00 0.00 0.01 0.00 0.00 54.13 53.84 1r6h s LEU 23 Cb -0.01 -1.56 0.07 0.00 0.01 0.00 0.00 46.19 44.69 1r6h s LEU 23 CO 0.00 0.25 0.01 -0.63 1.01 0.00 0.00 176.35 176.99 1r6h s ILE 24 N -0.14 2.68 0.23 -0.59 -1.09 0.34 0.13 121.20 122.76 1r6h s ILE 24 Ca -0.01 -1.74 0.02 0.00 -2.23 0.00 0.00 60.65 56.69 1r6h s ILE 24 Cb -0.14 -2.68 -0.05 0.00 -1.58 0.00 0.00 42.46 38.02 1r6h s ILE 24 CO 0.03 -0.27 0.04 -0.89 -1.23 0.00 0.00 174.94 172.62 1r6h s THR 25 N 1.13 0.75 0.45 2.92 2.01 0.99 0.18 115.64 124.07 1r6h s THR 25 Ca -0.01 -2.00 -0.18 0.00 0.31 0.00 0.00 61.69 59.81 1r6h s THR 25 Cb -0.20 -2.42 -0.09 0.00 0.01 0.00 0.00 72.50 69.79 1r6h s THR 25 CO -0.04 -0.22 0.93 -1.38 -0.69 0.00 0.00 174.62 173.22 1r6h s HIS 26 N -3.61 3.38 0.73 4.92 -3.43 -1.26 0.25 115.29 116.26 1r6h s HIS 26 Ca 0.31 1.49 -0.15 0.00 -0.80 0.00 0.00 55.06 55.91 1r6h s HIS 26 Cb 0.07 -2.77 0.04 0.00 -1.43 0.00 0.00 32.58 28.48 1r6h s HIS 26 CO 0.10 -0.18 1.20 -0.80 -2.00 0.00 0.00 174.74 173.06 1r6h s ASN 27 N -2.57 4.20 0.36 7.38 -0.87 -1.26 -4.83 114.94 117.35 1r6h s ASN 27 Ca 0.59 2.34 -0.27 0.00 -1.57 0.00 0.00 52.86 53.95 1r6h s ASN 27 Cb -0.10 -2.59 -0.12 0.00 -0.02 0.00 0.00 41.25 38.43 1r6h s ASN 27 CO 0.21 -2.26 1.22 -2.65 -2.57 0.00 0.00 177.10 171.05 1r6h n PRO 28 N -2.74 1.90 -2.95 -0.60 -0.02 -1.26 -5.01 135.00 124.31 1r6h n PRO 28 Ca 0.13 0.67 -0.19 0.00 -2.02 0.00 0.00 63.50 62.09 1r6h n PRO 28 Cb 0.50 -2.24 0.04 0.00 -0.02 0.00 0.00 33.50 31.78 1r6h n PRO 28 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1r6h s THR 29 N -1.13 2.53 -0.97 3.45 2.01 -1.26 -4.98 115.64 115.28 1r6h s THR 29 Ca 0.58 -0.94 0.23 0.00 0.31 0.00 0.00 61.69 61.87 1r6h s THR 29 Cb -0.57 -2.59 -0.10 0.00 0.01 0.00 0.00 72.50 69.24 1r6h s THR 29 CO 0.61 0.00 1.18 -0.46 -0.69 0.00 0.00 174.62 175.25 1r6h n ASN 30 N -2.15 0.71 -0.05 3.53 6.94 -1.26 -4.29 115.26 118.69 1r6h n ASN 30 Ca 0.12 -0.56 -0.10 0.00 -0.02 0.00 0.00 54.58 54.02 1r6h n ASN 30 Cb 0.60 0.60 -0.15 0.00 -2.36 0.00 0.00 39.78 38.48 1r6h n ASN 30 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1r6h n ALA 31 N -1.52 1.46 -3.47 -2.53 0.00 -1.26 -4.79 120.51 108.40 1r6h n ALA 31 Ca 0.05 -0.95 -0.29 0.00 0.00 0.00 0.00 53.44 52.25 1r6h n ALA 31 Cb 0.34 -0.61 -0.12 0.00 0.00 0.00 0.00 19.45 19.07 1r6h n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1r6h s THR 32 N -2.56 0.19 -0.13 0.00 -4.23 -1.26 -4.98 115.64 102.67 1r6h s THR 32 Ca -0.08 -1.77 -0.23 0.00 -1.18 0.00 0.00 61.69 58.43 1r6h s THR 32 Cb 0.07 -1.15 -0.20 0.00 1.34 0.00 0.00 72.50 72.56 1r6h s THR 32 CO 0.82 -1.00 0.59 -0.07 -0.54 0.00 0.00 174.62 174.42 1r6h h LEU 33 N 6.96 0.00 -0.45 4.79 -0.00 -1.87 -3.30 115.31 121.44 1r6h h LEU 33 Ca 0.06 -0.77 0.04 0.00 -0.00 0.00 0.00 57.88 57.21 1r6h h LEU 33 Cb 0.97 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.59 1r6h h LEU 33 CO 0.27 0.90 0.22 0.77 -0.00 0.00 0.00 178.44 180.61 1r6h h SER 34 N -1.00 0.32 -0.38 -0.43 4.64 -1.96 -1.96 113.55 112.78 1r6h h SER 34 Ca -0.01 0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 1r6h h SER 34 Cb 0.79 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1r6h h SER 34 CO -0.00 0.23 0.26 0.74 -0.87 0.00 0.00 176.83 177.18 1r6h h THR 35 N 0.44 0.93 -0.02 2.95 2.02 -1.98 -2.31 112.91 114.95 1r6h h THR 35 Ca 0.20 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.24 1r6h h THR 35 Cb 0.11 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1r6h h THR 35 CO -0.14 0.04 -0.20 0.15 0.37 0.00 0.00 175.52 175.75 1r6h h PHE 36 N 0.24 0.24 -0.96 3.16 3.04 -1.45 -2.69 116.94 118.51 1r6h h PHE 36 Ca 0.17 -0.12 0.08 0.00 3.98 0.00 0.00 57.97 62.08 1r6h h PHE 36 Cb 0.37 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 38.78 1r6h h PHE 36 CO -0.00 0.86 0.62 -0.84 -2.02 0.00 0.00 178.31 176.94 1r6h h ILE 37 N -0.45 1.05 0.17 1.41 3.07 -1.10 0.35 117.51 122.01 1r6h h ILE 37 Ca -0.02 -0.37 -0.01 0.00 1.55 0.00 0.00 64.86 66.01 1r6h h ILE 37 Cb 0.90 -0.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.33 1r6h h ILE 37 CO 0.04 0.20 -0.08 -0.33 -1.05 0.00 0.00 178.15 176.92 1r6h h GLU 38 N 1.08 -0.22 0.00 0.16 4.39 -1.48 -0.69 114.58 117.82 1r6h h GLU 38 Ca 0.43 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.14 1r6h h GLU 38 Cb 0.25 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1r6h h GLU 38 CO -0.18 0.02 -0.00 -0.44 -1.16 0.00 0.00 179.01 177.25 1r6h h ASP 39 N -0.44 -0.00 -0.58 1.42 5.19 -1.11 0.88 116.42 121.77 1r6h h ASP 39 Ca -0.02 -0.42 0.07 0.00 -0.62 0.00 0.00 57.03 56.03 1r6h h ASP 39 Cb 0.34 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.80 1r6h h ASP 39 CO 0.04 0.42 0.27 -0.07 -3.12 0.00 0.00 179.24 176.78 1r6h h LEU 40 N -0.43 0.35 -0.24 1.55 3.38 -0.39 -0.60 115.31 118.94 1r6h h LEU 40 Ca -0.00 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1r6h h LEU 40 Cb 0.43 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1r6h h LEU 40 CO 0.00 0.23 -0.59 0.50 0.09 0.00 0.00 178.44 178.67 1r6h h LYS 41 N 0.50 0.00 -0.73 1.13 3.11 -1.13 -3.28 116.57 116.18 1r6h h LYS 41 Ca 0.27 0.00 0.12 0.00 -2.81 0.00 0.00 60.65 58.23 1r6h h LYS 41 Cb 0.24 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.39 1r6h h LYS 41 CO -0.22 0.59 0.32 0.87 -2.81 0.00 0.00 179.45 178.20 1r6h h LYS 42 N 0.00 0.49 -0.67 1.90 1.57 0.24 -0.92 116.57 119.18 1r6h h LYS 42 Ca -0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1r6h h LYS 42 Cb 1.35 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 1r6h h LYS 42 CO 0.08 0.32 0.23 -0.92 -0.57 0.00 0.00 179.45 178.59 1r6h h TYR 43 N 0.50 1.03 0.00 -1.35 5.03 -1.53 -3.48 116.97 117.17 1r6h h TYR 43 Ca 0.38 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.61 1r6h h TYR 43 Cb 0.51 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.48 1r6h h TYR 43 CO -0.14 0.81 0.00 0.41 -1.32 0.00 0.00 178.16 177.92 1r6h n GLY 44 N -0.89 -2.07 2.89 1.82 0.00 -0.35 -4.96 105.19 101.63 1r6h n GLY 44 Ca 0.06 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 1r6h n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r6h s ALA 45 N -1.76 1.18 0.05 4.61 0.00 -1.22 -4.40 121.76 120.22 1r6h s ALA 45 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 1r6h s ALA 45 Cb 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1r6h s ALA 45 CO 0.00 -0.37 0.17 2.41 0.00 0.00 0.00 175.76 177.97 1r6h n THR 46 N 4.87 0.00 -0.91 0.00 -1.04 0.32 -3.89 114.28 113.62 1r6h n THR 46 Ca -0.13 -0.14 -0.29 0.00 -2.04 0.00 0.00 64.05 61.45 1r6h n THR 46 Cb 0.50 0.16 0.19 0.00 -1.82 0.00 0.00 70.33 69.36 1r6h n THR 46 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1r6h s THR 47 N -2.64 2.24 -0.01 12.58 -1.32 -1.25 -4.11 115.64 121.13 1r6h s THR 47 Ca 0.04 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1r6h s THR 47 Cb -0.01 -2.36 0.02 0.00 -1.51 0.00 0.00 72.50 68.63 1r6h s THR 47 CO 0.02 -0.10 0.01 -0.69 -2.21 0.00 0.00 174.62 171.65 1r6h s VAL 48 N -2.75 -0.01 -0.33 5.08 1.01 0.10 -2.51 120.40 120.98 1r6h s VAL 48 Ca 0.66 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 1r6h s VAL 48 Cb -0.21 -0.06 0.08 0.00 0.00 0.00 0.00 36.38 36.19 1r6h s VAL 48 CO 0.60 0.05 0.05 0.54 0.00 0.00 0.00 175.10 176.34 1r6h s VAL 49 N 0.56 2.87 -0.29 2.92 0.11 -0.69 0.64 120.40 126.52 1r6h s VAL 49 Ca -0.05 -1.76 -0.02 0.00 -2.93 0.00 0.00 61.98 57.22 1r6h s VAL 49 Cb -0.07 -2.82 0.04 0.00 -1.53 0.00 0.00 36.38 32.00 1r6h s VAL 49 CO -0.02 -0.35 -0.00 0.00 -3.33 0.00 0.00 175.10 171.41 1r6h s ARG 50 N 1.15 2.51 -0.72 1.54 1.70 -1.14 -2.37 118.95 121.62 1r6h s ARG 50 Ca 0.01 -1.21 -0.11 0.00 -0.47 0.00 0.00 55.73 53.95 1r6h s ARG 50 Cb -0.21 -3.17 0.19 0.00 -0.57 0.00 0.00 34.95 31.19 1r6h s ARG 50 CO -0.03 -0.59 0.62 0.08 -1.08 0.00 0.00 175.30 174.30 1r6h s VAL 51 N 1.28 4.96 0.29 4.99 1.01 -1.26 -2.02 120.40 129.65 1r6h s VAL 51 Ca -0.04 -2.46 -0.17 0.00 0.00 0.00 0.00 61.98 59.30 1r6h s VAL 51 Cb -0.19 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1r6h s VAL 51 CO -0.01 -0.95 0.65 0.00 0.00 0.00 0.00 175.10 174.79 1r6h s GLU 53 N -3.67 4.22 -0.05 0.00 0.41 -1.26 -3.98 118.70 114.37 1r6h s GLU 53 Ca 0.16 2.35 -0.30 0.00 -0.41 0.00 0.00 54.97 56.77 1r6h s GLU 53 Cb -0.04 -3.15 -0.05 0.00 -1.78 0.00 0.00 34.13 29.10 1r6h s GLU 53 CO 0.09 -0.59 1.53 0.08 -0.49 0.00 0.00 175.26 175.88 1r6h s VAL 54 N 1.07 3.67 0.00 2.63 1.01 -1.26 -4.84 120.40 122.67 1r6h s VAL 54 Ca 0.69 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.58 1r6h s VAL 54 Cb -0.44 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1r6h s VAL 54 CO 0.32 -0.05 0.00 0.35 0.00 0.00 0.00 175.10 175.71 1r6h n THR 55 N 5.20 0.00 -3.66 3.92 -2.24 -1.26 -4.94 114.28 111.30 1r6h n THR 55 Ca 0.16 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.65 1r6h n THR 55 Cb 0.43 -1.22 -0.12 0.00 -2.10 0.00 0.00 70.33 67.32 1r6h n THR 55 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1r6h s TYR 56 N -1.99 2.10 0.08 4.78 2.02 -1.26 -4.96 117.35 118.12 1r6h s TYR 56 Ca 0.00 -2.61 -0.07 0.00 -0.37 0.00 0.00 57.07 54.02 1r6h s TYR 56 Cb 0.00 -1.79 -0.23 0.00 -0.40 0.00 0.00 41.96 39.53 1r6h s TYR 56 CO 0.00 -0.73 1.17 0.38 -1.57 0.00 0.00 175.55 174.80 1r6h h ASP 57 N 6.07 0.55 0.03 2.29 2.03 -1.99 -3.36 116.42 122.04 1r6h h ASP 57 Ca 0.11 -0.53 -0.05 0.00 -0.73 0.00 0.00 57.03 55.83 1r6h h ASP 57 Cb 0.88 -0.18 0.01 0.00 -0.83 0.00 0.00 39.33 39.21 1r6h h ASP 57 CO 0.51 1.38 -0.20 0.11 -1.03 0.00 0.00 179.24 180.01 1r6h h LYS 58 N 0.15 0.08 -0.80 4.15 1.57 -2.01 -3.36 116.57 116.34 1r6h h LYS 58 Ca -0.14 -0.13 0.18 0.00 -1.87 0.00 0.00 60.65 58.70 1r6h h LYS 58 Cb 1.87 0.05 -0.15 0.00 0.08 0.00 0.00 32.23 34.08 1r6h h LYS 58 CO 0.20 1.03 -0.06 1.15 -0.57 0.00 0.00 179.45 181.20 1r6h h THR 59 N -0.80 0.25 -0.74 -0.16 2.02 -1.98 -1.47 112.91 110.03 1r6h h THR 59 Ca -0.03 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1r6h h THR 59 Cb 1.12 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1r6h h THR 59 CO 0.04 0.01 0.44 -0.65 0.37 0.00 0.00 175.52 175.73 1r6h h PRO 60 N 0.06 1.00 -0.12 6.66 0.11 -1.73 0.23 132.00 138.21 1r6h h PRO 60 Ca 0.43 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 66.37 1r6h h PRO 60 Cb 0.75 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1r6h h PRO 60 CO -0.75 0.71 -0.24 1.25 -0.21 0.00 0.00 178.00 178.76 1r6h h LEU 61 N 1.01 0.42 -0.00 2.35 7.12 -1.46 -1.61 115.31 123.14 1r6h h LEU 61 Ca 0.26 -0.56 -0.02 0.00 0.13 0.00 0.00 57.88 57.69 1r6h h LEU 61 Cb -0.03 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 39.98 1r6h h LEU 61 CO -0.05 0.90 -0.09 -0.08 -0.13 0.00 0.00 178.44 178.99 1r6h h GLU 62 N -0.04 0.06 0.00 1.25 4.22 -1.29 -1.70 114.58 117.07 1r6h h GLU 62 Ca 0.00 -0.07 -0.12 0.00 0.08 0.00 0.00 59.36 59.26 1r6h h GLU 62 Cb 0.83 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1r6h h GLU 62 CO 0.05 0.84 -0.55 0.87 -2.18 0.00 0.00 179.01 178.04 1r6h h LYS 63 N -0.69 0.00 0.00 1.92 1.79 -0.68 -3.22 116.57 115.68 1r6h h LYS 63 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1r6h h LYS 63 Cb 0.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1r6h h LYS 63 CO 0.02 0.55 -1.06 -3.47 -1.08 0.00 0.00 179.45 174.41 1r6h n ASP 64 N -3.61 0.81 -1.62 0.86 -0.08 -0.61 -4.84 116.55 107.47 1r6h n ASP 64 Ca -0.00 -0.75 -0.13 0.00 -1.51 0.00 0.00 54.79 52.40 1r6h n ASP 64 Cb 0.61 1.01 -0.04 0.00 2.34 0.00 0.00 41.12 45.04 1r6h n ASP 64 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r6h n GLY 65 N 1.46 0.79 3.34 0.27 0.00 -0.64 -4.93 105.19 105.48 1r6h n GLY 65 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1r6h n GLY 65 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1r6h s ILE 66 N -2.20 2.01 0.14 -0.61 -4.36 -1.25 -5.05 121.20 109.90 1r6h s ILE 66 Ca 0.00 -1.58 -0.30 0.00 -0.26 0.00 0.00 60.65 58.51 1r6h s ILE 66 Cb 0.00 -1.78 -0.07 0.00 1.25 0.00 0.00 42.46 41.86 1r6h s ILE 66 CO 0.00 0.10 1.04 -0.89 0.24 0.00 0.00 174.94 175.43 1r6h s THR 67 N -1.02 4.15 0.02 8.37 2.01 -1.26 -4.49 115.64 123.42 1r6h s THR 67 Ca 0.11 1.81 -0.02 0.00 0.31 0.00 0.00 61.69 63.90 1r6h s THR 67 Cb -0.10 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1r6h s THR 67 CO 0.04 0.29 0.01 0.54 -0.69 0.00 0.00 174.62 174.82 1r6h s VAL 68 N -0.07 0.11 -0.15 3.82 0.11 -1.26 0.02 120.40 122.98 1r6h s VAL 68 Ca 0.49 -0.90 -0.06 0.00 -2.93 0.00 0.00 61.98 58.58 1r6h s VAL 68 Cb -0.27 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1r6h s VAL 68 CO 0.32 -0.49 0.06 -0.69 -3.33 0.00 0.00 175.10 170.97 1r6h s VAL 69 N -1.57 4.82 -0.45 2.04 1.01 0.21 -4.88 120.40 121.58 1r6h s VAL 69 Ca -0.15 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 1r6h s VAL 69 Cb -0.08 -3.12 0.06 0.00 0.00 0.00 0.00 36.38 33.23 1r6h s VAL 69 CO -0.01 0.53 0.35 -1.81 0.00 0.00 0.00 175.10 174.16 1r6h s ASP 70 N -0.22 6.07 -0.38 3.32 1.11 -1.26 -2.87 116.67 122.43 1r6h s ASP 70 Ca 0.08 -1.21 -0.05 0.00 0.18 0.00 0.00 52.55 51.55 1r6h s ASP 70 Cb -0.12 -2.15 0.08 0.00 1.07 0.00 0.00 42.92 41.80 1r6h s ASP 70 CO 0.01 -0.57 0.17 0.26 1.18 0.00 0.00 175.17 176.22 1r6h s TRP 71 N 1.63 3.42 -0.11 4.23 0.52 -0.86 -5.05 118.94 122.72 1r6h s TRP 71 Ca 0.04 -1.97 -0.04 0.00 0.02 0.00 0.00 56.10 54.15 1r6h s TRP 71 Cb -0.23 -2.83 -0.04 0.00 -1.15 0.00 0.00 33.47 29.23 1r6h s TRP 71 CO 0.07 -0.88 0.05 -1.25 0.02 0.00 0.00 176.95 174.96 1r6h s PRO 72 N 1.26 3.25 -0.47 4.98 0.04 -1.26 -0.48 135.00 142.33 1r6h s PRO 72 Ca 0.03 -0.32 -0.01 0.00 0.04 0.00 0.00 61.00 60.74 1r6h s PRO 72 Cb -0.22 -2.96 0.13 0.00 0.04 0.00 0.00 34.50 31.48 1r6h s PRO 72 CO -0.01 0.66 0.25 -0.06 0.04 0.00 0.00 177.00 177.89 1r6h s PHE 73 N -0.75 3.51 0.00 0.56 0.40 -1.26 -4.61 117.98 115.83 1r6h s PHE 73 Ca 0.12 -2.70 0.00 0.00 -0.60 0.00 0.00 56.93 53.75 1r6h s PHE 73 Cb -0.12 -3.12 0.00 0.00 0.51 0.00 0.00 43.02 40.30 1r6h s PHE 73 CO 0.03 -0.90 0.00 -3.47 0.70 0.00 0.00 175.22 171.57 1r6h n ASP 74 N 4.02 0.00 0.23 1.36 -0.08 -1.26 -4.92 116.55 115.90 1r6h n ASP 74 Ca 0.03 -0.22 0.18 0.00 -1.51 0.00 0.00 54.79 53.27 1r6h n ASP 74 Cb 0.39 0.00 0.84 0.00 2.34 0.00 0.00 41.12 44.69 1r6h n ASP 74 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1r6h h ASP 75 N 0.00 0.00 -1.57 1.67 3.58 -2.07 -1.88 116.42 116.14 1r6h h ASP 75 Ca 0.00 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.82 1r6h h ASP 75 Cb 0.00 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 40.66 1r6h h ASP 75 CO 0.00 0.00 -0.33 0.61 -2.88 0.00 0.00 179.24 176.64 1r6h n GLY 76 N -1.34 5.93 3.11 -0.78 0.00 -1.26 -4.96 105.19 105.88 1r6h n GLY 76 Ca 0.02 -2.70 -0.34 0.00 0.00 0.00 0.00 46.02 42.99 1r6h n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r6h s ALA 77 N -3.66 2.99 -0.92 4.61 0.00 -0.71 -5.00 121.76 119.07 1r6h s ALA 77 Ca 0.49 -2.31 -0.29 0.00 0.00 0.00 0.00 51.96 49.85 1r6h s ALA 77 Cb 0.41 -2.16 -0.20 0.00 0.00 0.00 0.00 23.12 21.17 1r6h s ALA 77 CO -0.22 -1.62 2.63 -2.30 0.00 0.00 0.00 175.76 174.24 1r6h n PRO 78 N 4.51 0.17 -0.32 0.00 -0.02 -1.26 -4.82 135.00 133.26 1r6h n PRO 78 Ca -0.04 -0.01 0.03 0.00 -2.02 0.00 0.00 63.50 61.46 1r6h n PRO 78 Cb 0.42 -1.80 0.18 0.00 -0.02 0.00 0.00 33.50 32.27 1r6h n PRO 78 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1r6h h PRO 79 N 13.16 0.90 -6.44 0.52 0.11 -1.97 -3.44 132.00 134.85 1r6h h PRO 79 Ca -0.07 -0.05 -0.57 0.00 0.11 0.00 0.00 66.00 65.41 1r6h h PRO 79 Cb 1.29 -0.20 0.19 0.00 0.11 0.00 0.00 31.00 32.39 1r6h h PRO 79 CO 1.36 0.60 -0.75 -0.35 -0.21 0.00 0.00 178.00 178.65 1r6h n PRO 80 N -4.66 0.18 0.31 1.05 -0.04 -1.26 -4.85 135.00 125.73 1r6h n PRO 80 Ca 0.15 0.09 0.20 0.00 -0.04 0.00 0.00 63.50 63.89 1r6h n PRO 80 Cb 0.26 -1.55 0.94 0.00 -0.04 0.00 0.00 33.50 33.10 1r6h n PRO 80 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1r6h h GLY 81 N -0.41 0.00 0.22 0.55 0.00 -2.02 -3.11 103.07 98.30 1r6h h GLY 81 Ca -0.44 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.12 1r6h h GLY 81 CO 0.40 0.00 0.62 1.70 0.00 0.00 0.00 176.54 179.26 1r6h h LYS 82 N 0.00 0.24 -0.29 4.80 3.64 -1.92 0.12 116.57 123.16 1r6h h LYS 82 Ca -0.00 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1r6h h LYS 82 Cb 0.27 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1r6h h LYS 82 CO 0.00 0.16 0.03 -0.39 -2.27 0.00 0.00 179.45 176.98 1r6h h VAL 83 N 0.25 0.83 -0.93 2.00 -1.51 -1.82 0.27 116.25 115.34 1r6h h VAL 83 Ca 0.47 -0.04 0.13 0.00 -1.23 0.00 0.00 66.70 66.02 1r6h h VAL 83 Cb 1.41 0.69 -0.09 0.00 -2.13 0.00 0.00 31.29 31.18 1r6h h VAL 83 CO -0.12 0.02 0.55 0.58 -1.23 0.00 0.00 177.57 177.37 1r6h h VAL 84 N 0.13 0.85 -0.13 7.19 2.07 -1.00 0.60 116.25 125.96 1r6h h VAL 84 Ca 0.14 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1r6h h VAL 84 Cb 0.16 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1r6h h VAL 84 CO -0.20 0.15 0.03 -0.33 0.02 0.00 0.00 177.57 177.24 1r6h h GLU 85 N 0.84 0.18 0.03 1.57 4.39 -0.69 -0.23 114.58 120.66 1r6h h GLU 85 Ca 0.48 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.16 1r6h h GLU 85 Cb 0.54 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1r6h h GLU 85 CO -0.30 0.17 -0.01 0.22 -1.16 0.00 0.00 179.01 177.93 1r6h h ASP 86 N 0.18 -0.03 0.60 1.42 1.82 0.18 -1.90 116.42 118.69 1r6h h ASP 86 Ca 0.05 -0.21 -0.09 0.00 -0.39 0.00 0.00 57.03 56.39 1r6h h ASP 86 Cb 0.08 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 1r6h h ASP 86 CO -0.00 0.19 -0.43 -0.25 -1.61 0.00 0.00 179.24 177.14 1r6h h TRP 87 N -0.25 0.00 -0.85 0.28 2.91 -1.13 -2.40 115.95 114.51 1r6h h TRP 87 Ca -0.00 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1r6h h TRP 87 Cb 0.24 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.85 1r6h h TRP 87 CO -0.00 0.43 0.46 -0.07 -1.03 0.00 0.00 178.44 178.23 1r6h h LEU 88 N 0.00 1.06 -0.28 0.65 3.38 -0.80 -0.39 115.31 118.93 1r6h h LEU 88 Ca -0.00 -0.10 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 1r6h h LEU 88 Cb 0.85 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1r6h h LEU 88 CO 0.06 0.86 -0.58 0.28 0.09 0.00 0.00 178.44 179.15 1r6h h SER 89 N 1.19 0.98 0.02 -0.43 0.02 -1.10 0.80 113.55 115.02 1r6h h SER 89 Ca 0.30 -0.54 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1r6h h SER 89 Cb 0.03 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 1r6h h SER 89 CO -0.05 1.34 -0.08 0.25 -1.14 0.00 0.00 176.83 177.15 1r6h h LEU 90 N 0.66 -0.24 -0.60 5.07 7.12 -0.97 -0.75 115.31 125.59 1r6h h LEU 90 Ca 0.01 0.03 -0.15 0.00 0.13 0.00 0.00 57.88 57.90 1r6h h LEU 90 Cb 1.19 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.41 1r6h h LEU 90 CO 0.13 -0.13 -0.48 1.62 -0.13 0.00 0.00 178.44 179.45 1r6h h VAL 91 N -0.16 1.31 -0.50 1.05 3.04 -1.11 -2.58 116.25 117.31 1r6h h VAL 91 Ca 0.03 -1.70 0.06 0.00 -1.01 0.00 0.00 66.70 64.08 1r6h h VAL 91 Cb 0.19 1.68 -0.05 0.00 -2.01 0.00 0.00 31.29 31.10 1r6h h VAL 91 CO -0.07 0.53 0.20 0.11 -1.01 0.00 0.00 177.57 177.33 1r6h h LYS 92 N 0.43 0.38 -0.34 4.17 1.79 -0.44 0.90 116.57 123.46 1r6h h LYS 92 Ca 0.02 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1r6h h LYS 92 Cb 1.00 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 1r6h h LYS 92 CO 0.09 0.25 0.03 0.00 -1.08 0.00 0.00 179.45 178.75 1r6h h ALA 93 N 1.32 0.46 0.00 3.86 0.00 -1.08 0.14 119.26 123.97 1r6h h ALA 93 Ca 0.24 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1r6h h ALA 93 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1r6h h ALA 93 CO -0.22 0.19 -0.26 0.87 0.00 0.00 0.00 179.25 179.83 1r6h h LYS 94 N 0.41 0.00 0.07 0.00 6.56 -0.97 -1.76 116.57 120.87 1r6h h LYS 94 Ca 0.10 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.60 1r6h h LYS 94 Cb 0.40 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.07 1r6h h LYS 94 CO 0.01 0.26 -0.41 0.74 -2.06 0.00 0.00 179.45 178.00 1r6h h PHE 95 N 0.00 0.28 -0.64 -1.35 -1.00 0.12 -1.14 116.94 113.20 1r6h h PHE 95 Ca -0.00 -0.20 -0.00 0.00 2.81 0.00 0.00 57.97 60.57 1r6h h PHE 95 Cb 0.57 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.09 1r6h h PHE 95 CO 0.00 1.15 0.39 0.00 -1.61 0.00 0.00 178.31 178.23 1r6h h GLU 97 N 0.87 0.21 -3.39 0.00 4.57 -1.45 -3.39 114.58 112.00 1r6h h GLU 97 Ca 0.23 -0.23 -0.65 0.00 -1.18 0.00 0.00 59.36 57.53 1r6h h GLU 97 Cb -0.02 0.07 -0.40 0.00 -0.16 0.00 0.00 28.75 28.23 1r6h h GLU 97 CO -0.04 0.96 -0.57 0.00 -1.18 0.00 0.00 179.01 178.18 1r6h s ALA 98 N -3.22 3.40 -0.26 2.92 0.00 -0.43 -5.08 121.76 119.09 1r6h s ALA 98 Ca -0.03 -3.32 -0.29 0.00 0.00 0.00 0.00 51.96 48.32 1r6h s ALA 98 Cb 0.10 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 1r6h s ALA 98 CO 0.83 -2.04 1.61 -1.25 0.00 0.00 0.00 175.76 174.90 1r6h s PRO 99 N -0.34 3.70 -0.92 0.00 0.04 -1.13 -3.63 135.00 132.73 1r6h s PRO 99 Ca 0.18 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 1r6h s PRO 99 Cb -0.24 -4.05 -0.06 0.00 0.04 0.00 0.00 34.50 30.19 1r6h s PRO 99 CO -0.02 -1.40 0.81 0.41 0.04 0.00 0.00 177.00 176.84 1r6h n GLY 100 N 4.81 -0.94 0.00 0.56 0.00 -1.26 -4.93 105.19 103.43 1r6h n GLY 100 Ca 0.19 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1r6h n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r6h n SER 101 N -2.98 0.12 -4.25 1.61 2.88 -1.24 -4.58 113.62 105.18 1r6h n SER 101 Ca -0.06 -0.38 -0.36 0.00 -1.33 0.00 0.00 58.87 56.74 1r6h n SER 101 Cb 0.60 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.93 1r6h n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r6h s VAL 103 N 1.38 3.86 -0.03 0.00 1.01 -1.24 0.12 120.40 125.51 1r6h s VAL 103 Ca 0.00 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 60.89 1r6h s VAL 103 Cb -0.17 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1r6h s VAL 103 CO -0.01 0.05 -0.18 0.00 0.00 0.00 0.00 175.10 174.96 1r6h s ALA 104 N -1.41 2.52 0.15 5.51 0.00 -1.05 0.45 121.76 127.92 1r6h s ALA 104 Ca 0.26 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 1r6h s ALA 104 Cb -0.11 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1r6h s ALA 104 CO 0.18 0.55 0.08 0.08 0.00 0.00 0.00 175.76 176.65 1r6h s VAL 105 N -0.73 0.08 0.71 0.00 1.01 0.34 -1.70 120.40 120.11 1r6h s VAL 105 Ca 0.12 -1.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.05 1r6h s VAL 105 Cb -0.10 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.17 1r6h s VAL 105 CO 0.01 -0.36 1.13 -2.28 0.00 0.00 0.00 175.10 173.60 1r6h s HIS 106 N -4.07 2.42 -0.44 5.22 5.65 -1.00 -0.01 115.29 123.06 1r6h s HIS 106 Ca 0.27 1.58 -0.28 0.00 0.25 0.00 0.00 55.06 56.88 1r6h s HIS 106 Cb 0.07 -3.22 -0.02 0.00 -1.18 0.00 0.00 32.58 28.23 1r6h s HIS 106 CO 0.04 -1.98 1.84 0.00 -0.65 0.00 0.00 174.74 173.98 1r6h n VAL 108 N 7.36 0.00 0.01 0.00 0.24 -1.26 -3.85 118.33 120.83 1r6h n VAL 108 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 1r6h n VAL 108 Cb 0.49 -0.59 0.01 0.00 -1.47 0.00 0.00 33.84 32.28 1r6h n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r6h n ALA 109 N -0.98 1.08 -3.00 2.33 0.00 -1.26 -4.31 120.51 114.38 1r6h n ALA 109 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1r6h n ALA 109 Cb 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1r6h n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r6h n GLY 110 N -1.40 5.37 3.32 0.00 0.00 -1.25 -5.01 105.19 106.22 1r6h n GLY 110 Ca 0.00 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 1r6h n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r6h s LEU 111 N 0.00 2.62 0.00 0.99 1.43 -1.26 -4.36 118.68 118.10 1r6h s LEU 111 Ca 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1r6h s LEU 111 Cb 0.00 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1r6h s LEU 111 CO 0.00 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1r6h n GLY 112 N 3.84 2.78 0.00 -3.19 0.00 -1.26 -4.94 105.19 102.42 1r6h n GLY 112 Ca -0.19 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1r6h n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r6h n ARG 113 N 0.00 1.18 -0.20 1.61 3.00 -1.26 -4.23 116.66 116.75 1r6h n ARG 113 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1r6h n ARG 113 Cb 0.00 -0.94 0.11 0.00 0.00 0.00 0.00 32.46 31.63 1r6h n ARG 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1r6h h ALA 114 N 0.00 0.75 -0.47 7.54 0.00 -1.90 -2.81 119.26 122.37 1r6h h ALA 114 Ca 0.00 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1r6h h ALA 114 Cb 0.15 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1r6h h ALA 114 CO 0.00 -0.25 0.01 -1.00 0.00 0.00 0.00 179.25 178.01 1r6h h PRO 115 N 0.33 0.13 0.21 0.00 0.13 -1.87 -0.73 132.00 130.20 1r6h h PRO 115 Ca 0.31 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.42 1r6h h PRO 115 Cb 0.43 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1r6h h PRO 115 CO -0.35 0.08 -0.10 0.28 -0.23 0.00 0.00 178.00 177.68 1r6h h VAL 116 N 0.13 0.81 -0.74 1.56 2.07 -1.85 -2.60 116.25 115.64 1r6h h VAL 116 Ca 0.24 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.80 1r6h h VAL 116 Cb 0.35 0.87 -0.09 0.00 -1.52 0.00 0.00 31.29 30.89 1r6h h VAL 116 CO -0.38 0.02 0.30 -0.07 0.02 0.00 0.00 177.57 177.45 1r6h h LEU 117 N -0.33 0.28 0.36 2.57 3.38 -1.21 -2.06 115.31 118.30 1r6h h LEU 117 Ca -0.03 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1r6h h LEU 117 Cb 0.25 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1r6h h LEU 117 CO 0.05 0.12 -0.24 0.58 0.09 0.00 0.00 178.44 179.04 1r6h h VAL 118 N 0.45 0.50 -0.72 1.22 2.07 -0.94 -1.68 116.25 117.15 1r6h h VAL 118 Ca 0.40 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.04 1r6h h VAL 118 Cb 0.58 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.77 1r6h h VAL 118 CO -0.39 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.51 1r6h h ALA 119 N 0.01 1.01 -0.06 1.67 0.00 -1.07 0.34 119.26 121.16 1r6h h ALA 119 Ca -0.04 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1r6h h ALA 119 Cb 0.49 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1r6h h ALA 119 CO 0.03 -0.16 -0.17 -0.07 0.00 0.00 0.00 179.25 178.88 1r6h h LEU 120 N 0.49 0.08 -0.63 0.00 3.38 -1.15 -0.08 115.31 117.40 1r6h h LEU 120 Ca 0.38 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.21 1r6h h LEU 120 Cb 0.52 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1r6h h LEU 120 CO -0.35 0.26 -0.31 0.00 0.09 0.00 0.00 178.44 178.13 1r6h h ALA 121 N 1.75 0.81 0.00 1.53 0.00 0.01 -2.31 119.26 121.06 1r6h h ALA 121 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1r6h h ALA 121 Cb 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1r6h h ALA 121 CO 0.02 0.64 0.00 1.25 0.00 0.00 0.00 179.25 181.17 1r6h h LEU 122 N 0.63 0.00 -1.91 0.00 5.85 -0.71 -3.21 115.31 115.96 1r6h h LEU 122 Ca 0.07 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1r6h h LEU 122 Cb 0.83 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1r6h h LEU 122 CO 0.07 0.00 0.22 0.40 -0.34 0.00 0.00 178.44 178.79 1r6h h ILE 123 N 0.00 0.90 0.00 4.05 2.04 -0.43 -0.40 117.51 123.67 1r6h h ILE 123 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1r6h h ILE 123 Cb 0.74 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1r6h h ILE 123 CO 0.00 0.02 0.00 1.05 0.00 0.00 0.00 178.15 179.22 1r6h h GLU 124 N 0.10 0.00 0.00 2.37 -0.00 -1.65 -2.96 114.58 112.45 1r6h h GLU 124 Ca 0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.43 1r6h h GLU 124 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.17 1r6h h GLU 124 CO -0.02 0.00 -0.33 0.77 -0.00 0.00 0.00 179.01 179.44 1r6h h SER 125 N 0.00 0.00 0.00 3.06 0.02 -1.30 -3.50 113.55 111.83 1r6h h SER 125 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1r6h h SER 125 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1r6h h SER 125 CO 0.00 0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 1r6h n GLY 126 N 1.13 -0.48 3.40 -3.77 0.00 -1.12 -5.00 105.19 99.35 1r6h n GLY 126 Ca 0.03 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1r6h n GLY 126 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1r6h n MET 127 N 0.00 0.47 0.08 1.61 0.00 -1.26 -4.67 117.12 113.35 1r6h n MET 127 Ca 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 57.70 56.33 1r6h n MET 127 Cb 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 33.22 30.43 1r6h n MET 127 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 1r6h h LYS 128 N 9.56 -0.21 -0.16 3.17 -0.00 -1.86 0.11 116.57 127.17 1r6h h LYS 128 Ca 0.28 0.01 -0.07 0.00 -0.00 0.00 0.00 60.65 60.87 1r6h h LYS 128 Cb 0.72 0.05 -0.01 0.00 -0.00 0.00 0.00 32.23 32.99 1r6h h LYS 128 CO 1.91 -0.14 -0.23 -0.92 -0.00 0.00 0.00 179.45 180.07 1r6h h TYR 129 N -0.30 0.32 0.08 0.07 3.20 -1.88 0.47 116.97 118.93 1r6h h TYR 129 Ca -0.02 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 1r6h h TYR 129 Cb 0.17 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1r6h h TYR 129 CO 0.12 0.51 -0.04 0.93 -1.64 0.00 0.00 178.16 178.04 1r6h h GLU 130 N 0.26 -0.11 -0.35 1.82 3.07 -1.93 -2.40 114.58 114.95 1r6h h GLU 130 Ca 0.04 0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 58.75 1r6h h GLU 130 Cb 0.56 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1r6h h GLU 130 CO 0.04 0.42 -0.43 0.22 -1.40 0.00 0.00 179.01 177.86 1r6h h ASP 131 N -0.74 0.95 0.00 1.42 3.58 -0.74 0.16 116.42 121.05 1r6h h ASP 131 Ca -0.01 -0.45 -0.00 0.00 0.42 0.00 0.00 57.03 56.99 1r6h h ASP 131 Cb 0.58 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1r6h h ASP 131 CO 0.02 1.24 -0.00 0.00 -2.88 0.00 0.00 179.24 177.62 1r6h h ALA 132 N 0.79 -0.00 -0.14 -0.78 0.00 -0.15 1.01 119.26 119.99 1r6h h ALA 132 Ca 0.05 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1r6h h ALA 132 Cb 1.02 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1r6h h ALA 132 CO 0.10 -0.49 -0.76 0.82 0.00 0.00 0.00 179.25 178.92 1r6h h ILE 133 N -0.02 1.30 -0.00 0.00 1.08 -1.44 -1.76 117.51 116.67 1r6h h ILE 133 Ca -0.00 -2.01 -0.00 0.00 -0.39 0.00 0.00 64.86 62.46 1r6h h ILE 133 Cb 0.02 2.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 1r6h h ILE 133 CO 0.00 0.63 -0.00 -0.61 -0.69 0.00 0.00 178.15 177.47 1r6h h GLN 134 N 0.48 0.00 -0.41 2.37 4.15 -0.57 -0.31 115.11 120.82 1r6h h GLN 134 Ca -0.05 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 1r6h h GLN 134 Cb 1.38 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.05 1r6h h GLN 134 CO 0.15 0.73 -0.15 0.35 -1.93 0.00 0.00 178.83 177.98 1r6h h PHE 135 N -0.72 0.84 0.00 3.99 3.57 0.94 -2.40 116.94 123.16 1r6h h PHE 135 Ca -0.00 -0.16 -0.12 0.00 3.53 0.00 0.00 57.97 61.22 1r6h h PHE 135 Cb 0.73 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1r6h h PHE 135 CO 0.18 0.85 -0.56 0.97 -2.23 0.00 0.00 178.31 177.52 1r6h h ILE 136 N 0.68 1.19 -0.16 1.41 2.10 -1.38 -3.07 117.51 118.28 1r6h h ILE 136 Ca 0.11 -2.07 -0.01 0.00 1.08 0.00 0.00 64.86 63.97 1r6h h ILE 136 Cb 0.63 2.19 -0.01 0.00 -1.09 0.00 0.00 36.82 38.54 1r6h h ILE 136 CO 0.04 0.55 0.05 0.03 -1.08 0.00 0.00 178.15 177.75 1r6h h ARG 137 N 0.00 0.25 -0.54 2.19 3.08 -0.56 -3.03 114.38 115.77 1r6h h ARG 137 Ca -0.01 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1r6h h ARG 137 Cb 1.14 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 1r6h h ARG 137 CO 0.07 0.35 0.35 0.37 -1.07 0.00 0.00 179.97 180.05 1r6h h GLN 138 N 0.09 0.70 -6.84 0.04 -0.00 -1.47 -3.43 115.11 104.20 1r6h h GLN 138 Ca 0.05 -0.04 -0.49 0.00 -0.00 0.00 0.00 58.65 58.17 1r6h h GLN 138 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.52 1r6h h GLN 138 CO -0.00 0.46 0.15 0.15 0.00 0.00 0.00 178.83 179.59 1r6h s LYS 139 N -6.15 3.94 -0.22 1.69 3.01 -1.14 -5.01 119.74 115.86 1r6h s LYS 139 Ca -0.13 0.67 -0.29 0.00 -1.01 0.00 0.00 55.97 55.20 1r6h s LYS 139 Cb 0.13 -2.37 -0.01 0.00 -1.01 0.00 0.00 37.83 34.56 1r6h s LYS 139 CO 0.74 0.04 1.40 0.50 0.51 0.00 0.00 175.35 178.54 1r6h s ARG 140 N -3.40 3.99 0.32 1.68 3.00 -1.26 -4.81 118.95 118.48 1r6h s ARG 140 Ca 0.54 1.54 0.09 0.00 -1.00 0.00 0.00 55.73 56.90 1r6h s ARG 140 Cb -0.10 -3.90 -0.05 0.00 0.00 0.00 0.00 34.95 30.90 1r6h s ARG 140 CO 0.23 -1.04 0.01 -0.98 0.00 0.00 0.00 175.30 173.52 1r6h s ARG 141 N 4.12 2.12 0.00 5.12 3.03 -1.26 -4.39 118.95 127.69 1r6h s ARG 141 Ca 0.61 -1.66 0.00 0.00 2.03 0.00 0.00 55.73 56.71 1r6h s ARG 141 Cb -0.21 -1.99 0.00 0.00 -1.03 0.00 0.00 34.95 31.72 1r6h s ARG 141 CO 0.23 0.19 0.00 0.41 -1.13 0.00 0.00 175.30 175.00 1r6h n GLY 142 N -0.94 -3.10 3.43 3.88 0.00 -1.26 -4.83 105.19 102.36 1r6h n GLY 142 Ca -0.04 -1.03 -0.44 0.00 0.00 0.00 0.00 46.02 44.51 1r6h n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r6h s ALA 143 N -2.02 3.21 -0.46 4.61 0.00 -1.26 -4.91 121.76 120.92 1r6h s ALA 143 Ca 0.00 -1.96 -0.23 0.00 0.00 0.00 0.00 51.96 49.76 1r6h s ALA 143 Cb 0.00 -3.75 0.03 0.00 0.00 0.00 0.00 23.12 19.39 1r6h s ALA 143 CO 0.00 -2.64 0.81 0.96 0.00 0.00 0.00 175.76 174.90 1r6h s ILE 144 N 3.62 4.61 0.00 0.00 -4.36 -1.26 -4.91 121.20 118.89 1r6h s ILE 144 Ca 0.19 0.43 0.00 0.00 -0.26 0.00 0.00 60.65 61.01 1r6h s ILE 144 Cb -0.19 -4.36 0.00 0.00 1.25 0.00 0.00 42.46 39.16 1r6h s ILE 144 CO 0.09 -0.77 0.00 0.59 0.24 0.00 0.00 174.94 175.09 1r6h n ASN 145 N 6.84 0.00 -0.08 4.36 4.13 -1.26 -4.81 115.26 124.44 1r6h n ASN 145 Ca 0.03 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.21 1r6h n ASN 145 Cb 0.48 -0.05 -0.03 0.00 -1.54 0.00 0.00 39.78 38.64 1r6h n ASN 145 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1r6h n SER 146 N -1.59 1.74 -0.03 6.41 3.41 -1.26 -4.52 113.62 117.79 1r6h n SER 146 Ca 0.00 0.31 -0.12 0.00 -0.26 0.00 0.00 58.87 58.80 1r6h n SER 146 Cb 0.00 -0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 63.16 1r6h n SER 146 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1r6h h LYS 147 N -0.90 0.15 -0.04 4.33 3.11 -1.96 -1.38 116.57 119.87 1r6h h LYS 147 Ca 0.00 -0.05 0.03 0.00 -2.81 0.00 0.00 60.65 57.82 1r6h h LYS 147 Cb 0.88 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.07 1r6h h LYS 147 CO 0.00 0.43 -0.13 1.96 -2.81 0.00 0.00 179.45 178.89 1r6h h GLN 148 N -0.14 -0.20 -0.05 1.90 1.08 -1.93 0.64 115.11 116.42 1r6h h GLN 148 Ca 0.02 0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 1r6h h GLN 148 Cb 0.36 0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1r6h h GLN 148 CO 0.01 -0.13 -0.40 -0.07 -0.95 0.00 0.00 178.83 177.28 1r6h h LEU 149 N -0.20 0.44 -0.94 1.46 -0.00 -1.79 -2.75 115.31 111.53 1r6h h LEU 149 Ca 0.06 -0.69 -0.06 0.00 -0.00 0.00 0.00 57.88 57.19 1r6h h LEU 149 Cb 0.29 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.79 1r6h h LEU 149 CO -0.16 1.06 0.06 0.74 -0.00 0.00 0.00 178.44 180.14 1r6h h THR 150 N -0.14 1.24 0.04 0.22 2.02 -1.21 -1.88 112.91 113.19 1r6h h THR 150 Ca -0.04 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 1r6h h THR 150 Cb 1.08 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1r6h h THR 150 CO 0.08 0.34 -0.02 0.22 0.37 0.00 0.00 175.52 176.51 1r6h h TYR 151 N 0.80 -0.04 -0.42 3.16 3.20 0.24 -2.14 116.97 121.75 1r6h h TYR 151 Ca 0.16 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1r6h h TYR 151 Cb 0.39 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1r6h h TYR 151 CO 0.02 0.28 0.19 1.25 -1.64 0.00 0.00 178.16 178.26 1r6h h LEU 152 N -0.37 0.52 -0.69 2.82 6.46 -1.44 -0.78 115.31 121.83 1r6h h LEU 152 Ca -0.00 -0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1r6h h LEU 152 Cb 0.34 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.09 1r6h h LEU 152 CO 0.01 0.46 0.43 -0.08 -0.62 0.00 0.00 178.44 178.64 1r6h h GLU 153 N 0.59 0.80 0.00 1.25 4.81 -1.18 0.26 114.58 121.12 1r6h h GLU 153 Ca 0.15 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1r6h h GLU 153 Cb 0.08 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1r6h h GLU 153 CO -0.02 0.53 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.44 1r6h h LYS 154 N 0.83 0.00 -0.60 1.92 3.11 -0.53 -2.48 116.57 118.82 1r6h h LYS 154 Ca 0.28 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 58.03 1r6h h LYS 154 Cb 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.26 1r6h h LYS 154 CO -0.12 0.13 -0.01 -0.92 -2.81 0.00 0.00 179.45 175.73 1r6h h TYR 155 N 0.00 1.15 -3.29 1.91 5.03 0.84 -3.43 116.97 119.17 1r6h h TYR 155 Ca -0.00 -0.20 -0.68 0.00 2.58 0.00 0.00 58.73 60.43 1r6h h TYR 155 Cb 0.46 -0.30 -0.14 0.00 1.55 0.00 0.00 36.73 38.30 1r6h h TYR 155 CO 0.00 1.01 -0.62 0.50 -1.32 0.00 0.00 178.16 177.74 1r6h s ARG 156 N -5.01 2.97 0.61 1.82 3.00 -0.81 -5.02 118.95 116.50 1r6h s ARG 156 Ca -0.11 -0.43 -0.17 0.00 -1.00 0.00 0.00 55.73 54.02 1r6h s ARG 156 Cb 0.14 -2.79 -0.03 0.00 0.00 0.00 0.00 34.95 32.27 1r6h s ARG 156 CO 0.86 0.69 1.10 -1.25 0.00 0.00 0.00 175.30 176.69 1r6h s PRO 157 N -1.04 3.11 -0.11 5.12 0.04 -1.26 -4.84 135.00 136.02 1r6h s PRO 157 Ca 0.15 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.55 1r6h s PRO 157 Cb -0.11 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.49 1r6h s PRO 157 CO 0.04 -1.00 0.22 0.15 0.04 0.00 0.00 177.00 176.45 1r6h s LYS 158 N -3.84 0.13 0.15 4.56 -0.14 -1.26 -5.01 119.74 114.32 1r6h s LYS 158 Ca 0.68 0.61 0.19 0.00 -1.36 0.00 0.00 55.97 56.08 1r6h s LYS 158 Cb -0.20 -0.13 0.80 0.00 -1.68 0.00 0.00 37.83 36.62 1r6h s LYS 158 CO 0.36 -0.25 1.57 1.04 -0.76 0.00 0.00 175.35 177.31 1r6h n GLN 159 N 4.96 0.10 0.23 1.68 3.00 -1.26 -2.75 117.38 123.34 1r6h n GLN 159 Ca -0.12 0.37 0.13 0.00 -0.01 0.00 0.00 57.00 57.36 1r6h n GLN 159 Cb 0.51 -1.71 0.75 0.00 0.00 0.00 0.00 30.24 29.78 1r6h n GLN 159 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 1r6h h ARG 160 N 0.00 0.00 -0.01 -1.09 -0.00 -1.99 -0.62 114.38 110.67 1r6h h ARG 160 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.81 1r6h h ARG 160 Cb 0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.23 1r6h h ARG 160 CO 0.00 0.00 -0.78 1.25 -0.00 0.00 0.00 179.97 180.44 1r6h h LEU 161 N 0.00 0.15 0.00 0.08 6.46 -1.97 -3.45 115.31 116.58 1r6h h LEU 161 Ca 0.04 -0.11 -0.35 0.00 -0.12 0.00 0.00 57.88 57.35 1r6h h LEU 161 Cb 0.19 -0.04 0.14 0.00 -0.73 0.00 0.00 40.66 40.22 1r6h h LEU 161 CO -0.00 0.87 0.33 0.54 -0.62 0.00 0.00 178.44 179.56 1r6h n ARG 162 N -3.68 -1.13 -0.01 1.25 3.00 -0.24 -5.07 116.66 110.77 1r6h n ARG 162 Ca -0.02 -1.65 -0.02 0.00 -0.01 0.00 0.00 57.85 56.15 1r6h n ARG 162 Cb 0.75 -1.12 -0.01 0.00 0.00 0.00 0.00 32.46 32.08 1r6h n ARG 162 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1r6h n PHE 163 N -3.53 0.00 -2.00 -1.55 7.35 -1.26 -4.98 117.46 111.49 1r6h n PHE 163 Ca 0.13 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.40 1r6h n PHE 163 Cb 0.47 -0.10 -0.03 0.00 0.35 0.00 0.00 39.48 40.17 1r6h n PHE 163 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1r6h s LYS 164 N -1.55 4.20 -0.04 -4.13 1.02 -1.26 -4.97 119.74 113.01 1r6h s LYS 164 Ca -0.06 2.21 -0.14 0.00 0.02 0.00 0.00 55.97 58.00 1r6h s LYS 164 Cb 0.01 -3.84 -0.05 0.00 -0.52 0.00 0.00 37.83 33.43 1r6h s LYS 164 CO 0.09 -0.79 0.38 -0.51 -0.92 0.00 0.00 175.35 173.60 1r6h s ASP 165 N 2.95 6.73 0.02 2.83 1.01 -1.26 -5.01 116.67 123.94 1r6h s ASP 165 Ca 0.73 0.86 -0.23 0.00 0.71 0.00 0.00 52.55 54.62 1r6h s ASP 165 Cb -0.35 -2.23 -0.16 0.00 1.01 0.00 0.00 42.92 41.19 1r6h s ASP 165 CO 0.30 0.28 1.39 1.55 0.21 0.00 0.00 175.17 178.90 1r6h h PRO 166 N 5.12 0.15 0.00 8.23 0.13 -1.99 -3.44 132.00 140.21 1r6h h PRO 166 Ca -0.50 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.55 1r6h h PRO 166 Cb 1.21 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1r6h h PRO 166 CO 0.64 0.50 -0.03 -2.39 -0.23 0.00 0.00 178.00 176.48 1r6h n HIS 167 N -4.78 -0.20 -3.77 1.56 1.44 -1.26 -5.13 115.22 103.08 1r6h n HIS 167 Ca -0.07 -0.18 -0.25 0.00 -2.01 0.00 0.00 57.72 55.22 1r6h n HIS 167 Cb 0.24 0.59 -0.17 0.00 0.12 0.00 0.00 29.99 30.77 1r6h n HIS 167 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1r6h s THR 168 N 0.01 0.49 -0.11 0.61 -4.23 -1.26 -5.12 115.64 106.02 1r6h s THR 168 Ca 0.01 -0.15 -0.23 0.00 -1.18 0.00 0.00 61.69 60.14 1r6h s THR 168 Cb 0.04 -0.75 -0.03 0.00 1.34 0.00 0.00 72.50 73.10 1r6h s THR 168 CO -0.01 0.11 0.70 -1.00 -0.54 0.00 0.00 174.62 173.87 1r6h s HIS 169 N 1.91 3.51 0.00 3.99 3.76 -1.26 -4.83 115.29 122.37 1r6h s HIS 169 Ca 0.03 1.17 0.00 0.00 -0.15 0.00 0.00 55.06 56.11 1r6h s HIS 169 Cb -0.14 -2.83 0.00 0.00 1.11 0.00 0.00 32.58 30.73 1r6h s HIS 169 CO -0.06 -0.01 0.00 1.63 -0.85 0.00 0.00 174.74 175.44 1r6h n LYS 170 N 4.26 0.00 0.04 1.40 5.02 -1.26 -5.04 118.16 122.58 1r6h n LYS 170 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1r6h n LYS 170 Cb 0.51 -0.08 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 1r6h n LYS 170 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1r6h n THR 171 N -2.24 0.96 0.19 -0.18 -1.04 -1.26 -5.23 114.28 105.48 1r6h n THR 171 Ca 0.00 0.32 0.02 0.00 -2.04 0.00 0.00 64.05 62.35 1r6h n THR 171 Cb 0.00 -1.45 0.02 0.00 -1.82 0.00 0.00 70.33 67.08 1r6h n THR 171 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97