#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6h n SER 2 N 0.00 1.46 -4.17 1.61 7.64 -1.26 -5.02 113.62 113.88 1r6h n SER 2 Ca 0.00 -0.02 -0.14 0.00 1.01 0.00 0.00 58.87 59.72 1r6h n SER 2 Cb 0.00 0.66 -0.11 0.00 -1.01 0.00 0.00 64.21 63.75 1r6h n SER 2 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1r6h s HIS 3 N -2.37 1.01 0.05 1.43 0.00 -1.26 -5.16 115.29 108.99 1r6h s HIS 3 Ca -0.11 -0.69 0.05 0.00 -3.00 0.00 0.00 55.06 51.32 1r6h s HIS 3 Cb 0.05 -0.56 -0.02 0.00 -4.00 0.00 0.00 32.58 28.05 1r6h s HIS 3 CO 0.59 -0.03 -0.15 0.00 -1.00 0.00 0.00 174.74 174.16 1r6h s MET 4 N -2.89 0.95 0.21 -0.38 0.23 -1.26 -5.16 119.30 111.01 1r6h s MET 4 Ca 0.06 -0.85 0.08 0.00 -1.03 0.00 0.00 55.69 53.94 1r6h s MET 4 Cb -0.02 -0.99 -0.05 0.00 -1.53 0.00 0.00 34.83 32.25 1r6h s MET 4 CO -0.01 0.24 -0.13 0.00 -2.03 0.00 0.00 175.02 173.09 1r6h s ALA 5 N -0.98 2.06 -0.14 3.16 0.00 -1.26 -5.08 121.76 119.51 1r6h s ALA 5 Ca 0.01 -1.69 -0.13 0.00 0.00 0.00 0.00 51.96 50.16 1r6h s ALA 5 Cb -0.09 -0.05 -0.10 0.00 0.00 0.00 0.00 23.12 22.89 1r6h s ALA 5 CO 0.02 0.05 0.11 -0.09 0.00 0.00 0.00 175.76 175.85 1r6h h ARG 6 N 2.52 0.00 -6.94 0.00 9.65 -2.08 -3.47 114.38 114.07 1r6h h ARG 6 Ca -0.38 0.00 -0.46 0.00 -1.10 0.00 0.00 59.98 58.04 1r6h h ARG 6 Cb 1.22 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 1r6h h ARG 6 CO 0.63 0.39 0.27 0.00 2.80 0.00 0.00 179.97 184.05 1r6h s MET 7 N -2.08 4.21 0.00 0.20 0.23 -1.26 -5.07 119.30 115.53 1r6h s MET 7 Ca -0.15 1.01 -0.00 0.00 -1.03 0.00 0.00 55.69 55.53 1r6h s MET 7 Cb 0.02 -2.33 -0.04 0.00 -1.53 0.00 0.00 34.83 30.95 1r6h s MET 7 CO 0.32 0.06 0.08 1.21 -2.03 0.00 0.00 175.02 174.66 1r6h s ASN 8 N -2.13 5.63 0.01 -1.18 2.47 -1.26 -5.12 114.94 113.36 1r6h s ASN 8 Ca 0.58 0.12 -0.02 0.00 0.42 0.00 0.00 52.86 53.97 1r6h s ASN 8 Cb -0.10 -1.60 -0.01 0.00 -1.45 0.00 0.00 41.25 38.08 1r6h s ASN 8 CO 0.15 0.26 0.02 -0.13 -3.72 0.00 0.00 177.10 173.69 1r6h s ARG 9 N -1.78 0.26 -0.24 0.43 3.00 -1.26 -5.11 118.95 114.27 1r6h s ARG 9 Ca 0.23 -0.38 -0.35 0.00 0.00 0.00 0.00 55.73 55.23 1r6h s ARG 9 Cb -0.12 0.10 -0.12 0.00 0.00 0.00 0.00 34.95 34.82 1r6h s ARG 9 CO 0.14 -0.05 2.02 -2.30 0.00 0.00 0.00 175.30 175.11 1r6h n PRO 10 N 2.00 1.55 -3.16 3.54 -0.02 -1.26 -4.95 135.00 132.71 1r6h n PRO 10 Ca -0.20 0.51 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 1r6h n PRO 10 Cb 0.56 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 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 5.73 3.43 0.84 3.55 0.00 -1.26 -4.87 121.76 129.18 1r6h s ALA 11 Ca 1.01 0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.94 1r6h s ALA 11 Cb -0.78 -2.75 0.10 0.00 0.00 0.00 0.00 23.12 19.68 1r6h s ALA 11 CO 0.51 0.35 1.10 -1.25 0.00 0.00 0.00 175.76 176.47 1r6h s PRO 12 N -2.18 1.73 -0.04 0.00 0.04 -1.26 -4.90 135.00 128.38 1r6h s PRO 12 Ca 0.44 0.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.15 1r6h s PRO 12 Cb -0.15 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1r6h s PRO 12 CO 0.20 -1.88 0.07 0.08 0.04 0.00 0.00 177.00 175.51 1r6h s VAL 13 N -3.08 -0.09 -0.26 -0.36 1.01 0.22 -4.95 120.40 112.88 1r6h s VAL 13 Ca 0.62 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.81 1r6h s VAL 13 Cb -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1r6h s VAL 13 CO 0.55 0.11 0.03 -1.83 0.00 0.00 0.00 175.10 173.97 1r6h s GLU 14 N 1.44 3.23 -0.26 2.72 -1.05 -1.26 0.10 118.70 123.62 1r6h s GLU 14 Ca -0.05 -0.75 -0.07 0.00 -0.15 0.00 0.00 54.97 53.95 1r6h s GLU 14 Cb -0.12 -3.23 -0.02 0.00 -0.44 0.00 0.00 34.13 30.32 1r6h s GLU 14 CO -0.04 -0.34 0.07 0.08 0.95 0.00 0.00 175.26 175.98 1r6h s VAL 15 N 1.49 4.16 0.00 1.83 1.01 0.25 -4.89 120.40 124.26 1r6h s VAL 15 Ca 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1r6h s VAL 15 Cb -0.16 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1r6h s VAL 15 CO 0.00 0.27 0.01 -0.94 0.00 0.00 0.00 175.10 174.45 1r6h s SER 16 N 1.58 0.08 -0.07 3.32 1.04 -1.26 0.53 113.70 118.92 1r6h s SER 16 Ca 0.05 -0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.27 1r6h s SER 16 Cb -0.16 0.09 0.04 0.00 0.10 0.00 0.00 66.02 66.09 1r6h s SER 16 CO 0.03 -0.15 0.13 -0.72 0.98 0.00 0.00 173.24 173.50 1r6h s TYR 17 N -0.68 -0.11 0.00 5.02 1.13 -1.11 -5.00 117.35 116.59 1r6h s TYR 17 Ca -0.08 0.48 0.00 0.00 -1.41 0.00 0.00 57.07 56.06 1r6h s TYR 17 Cb -0.05 -0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.54 1r6h s TYR 17 CO -0.00 -0.22 0.00 1.63 -2.51 0.00 0.00 175.55 174.45 1r6h n LYS 18 N 5.02 0.00 0.00 -3.49 4.76 -1.26 -3.89 118.16 119.30 1r6h n LYS 18 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1r6h n LYS 18 Cb 0.50 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.69 1r6h n LYS 18 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1r6h n HIS 19 N 0.00 0.00 -1.48 2.13 1.44 -1.26 -5.09 115.22 110.96 1r6h n HIS 19 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1r6h n HIS 19 Cb 0.00 0.01 0.08 0.00 0.12 0.00 0.00 29.99 30.21 1r6h n HIS 19 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1r6h s MET 20 N -1.55 2.26 0.13 -1.40 0.23 -1.25 -4.80 119.30 112.91 1r6h s MET 20 Ca 0.00 0.82 -0.05 0.00 -1.03 0.00 0.00 55.69 55.43 1r6h s MET 20 Cb 0.00 -1.92 -0.03 0.00 -1.53 0.00 0.00 34.83 31.35 1r6h s MET 20 CO 0.00 -1.54 0.14 1.03 -2.03 0.00 0.00 175.02 172.62 1r6h s ARG 21 N -5.07 0.95 0.01 3.16 0.52 -1.21 -2.76 118.95 114.55 1r6h s ARG 21 Ca 0.60 -1.27 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 1r6h s ARG 21 Cb -0.15 0.29 -0.01 0.00 0.52 0.00 0.00 34.95 35.61 1r6h s ARG 21 CO 0.55 -0.30 -0.07 -0.06 0.02 0.00 0.00 175.30 175.45 1r6h s PHE 22 N -3.98 0.59 -0.08 -0.53 0.08 0.19 -3.50 117.98 110.74 1r6h s PHE 22 Ca 0.17 -0.20 0.03 0.00 0.12 0.00 0.00 56.93 57.06 1r6h s PHE 22 Cb 0.06 -0.37 -0.02 0.00 -0.57 0.00 0.00 43.02 42.12 1r6h s PHE 22 CO -0.02 -0.02 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.42 1r6h s LEU 23 N -0.49 2.67 -0.30 -0.37 2.01 0.20 -0.58 118.68 121.82 1r6h s LEU 23 Ca -0.00 -0.27 0.02 0.00 0.01 0.00 0.00 54.13 53.89 1r6h s LEU 23 Cb -0.04 -1.55 0.07 0.00 0.01 0.00 0.00 46.19 44.68 1r6h s LEU 23 CO -0.00 0.28 -0.02 -0.63 1.01 0.00 0.00 176.35 176.99 1r6h s ILE 24 N -0.34 2.47 0.19 -0.59 -1.09 0.28 0.20 121.20 122.31 1r6h s ILE 24 Ca 0.03 -1.81 0.02 0.00 -2.23 0.00 0.00 60.65 56.66 1r6h s ILE 24 Cb -0.13 -2.57 -0.05 0.00 -1.58 0.00 0.00 42.46 38.14 1r6h s ILE 24 CO 0.02 -0.26 0.02 -0.89 -1.23 0.00 0.00 174.94 172.61 1r6h s THR 25 N 1.08 0.68 0.44 2.92 2.01 0.12 -0.61 115.64 122.28 1r6h s THR 25 Ca -0.01 -1.99 -0.18 0.00 0.31 0.00 0.00 61.69 59.82 1r6h s THR 25 Cb -0.20 -2.22 -0.09 0.00 0.01 0.00 0.00 72.50 70.00 1r6h s THR 25 CO -0.05 -0.39 0.92 -1.38 -0.69 0.00 0.00 174.62 173.03 1r6h s HIS 26 N -3.66 3.39 0.74 4.92 -3.43 -1.26 0.29 115.29 116.27 1r6h s HIS 26 Ca 0.26 1.45 -0.15 0.00 -0.80 0.00 0.00 55.06 55.83 1r6h s HIS 26 Cb 0.06 -2.75 0.05 0.00 -1.43 0.00 0.00 32.58 28.51 1r6h s HIS 26 CO 0.06 -0.18 1.19 0.54 -2.00 0.00 0.00 174.74 174.36 1r6h s ASN 27 N -2.61 4.16 0.33 7.38 4.22 -1.26 -4.81 114.94 122.35 1r6h s ASN 27 Ca 0.59 2.31 -0.28 0.00 -2.14 0.00 0.00 52.86 53.34 1r6h s ASN 27 Cb -0.10 -2.58 -0.13 0.00 1.28 0.00 0.00 41.25 39.72 1r6h s ASN 27 CO 0.22 -2.28 1.24 -2.65 -2.04 0.00 0.00 177.10 171.59 1r6h n PRO 28 N -2.83 1.98 -2.95 3.55 -0.02 -1.26 -5.01 135.00 128.46 1r6h n PRO 28 Ca 0.13 0.70 -0.19 0.00 -2.02 0.00 0.00 63.50 62.12 1r6h n PRO 28 Cb 0.50 -2.24 0.04 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.07 2.53 -0.94 3.45 2.01 -1.26 -4.95 115.64 115.41 1r6h s THR 29 Ca 0.56 -0.93 0.23 0.00 0.31 0.00 0.00 61.69 61.86 1r6h s THR 29 Cb -0.59 -2.60 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 1r6h s THR 29 CO 0.62 0.00 1.19 -3.20 -0.69 0.00 0.00 174.62 172.54 1r6h n ASN 30 N -2.15 0.68 -0.05 3.53 2.85 -1.26 -4.29 115.26 114.57 1r6h n ASN 30 Ca 0.12 -0.48 -0.10 0.00 -0.11 0.00 0.00 54.58 54.01 1r6h n ASN 30 Cb 0.60 0.57 -0.15 0.00 1.24 0.00 0.00 39.78 42.04 1r6h n ASN 30 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1r6h n ALA 31 N -1.55 1.46 -3.47 5.20 0.00 -1.26 -4.79 120.51 116.11 1r6h n ALA 31 Ca 0.04 -0.95 -0.29 0.00 0.00 0.00 0.00 53.44 52.24 1r6h n ALA 31 Cb 0.35 -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 0.18 -0.13 0.00 -4.23 -1.26 -4.98 115.64 102.65 1r6h s THR 32 Ca -0.08 -1.76 -0.22 0.00 -1.18 0.00 0.00 61.69 58.45 1r6h s THR 32 Cb 0.07 -1.15 -0.20 0.00 1.34 0.00 0.00 72.50 72.57 1r6h s THR 32 CO 0.82 -0.99 0.59 -0.07 -0.54 0.00 0.00 174.62 174.42 1r6h h LEU 33 N 6.97 0.00 -0.49 4.79 -0.00 -1.87 -3.30 115.31 121.41 1r6h h LEU 33 Ca 0.06 -0.77 0.04 0.00 -0.00 0.00 0.00 57.88 57.22 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 0.26 0.77 -0.00 0.00 0.00 178.44 180.64 1r6h h SER 34 N -1.00 0.38 -0.38 -0.43 4.64 -1.96 -1.89 113.55 112.90 1r6h h SER 34 Ca -0.01 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 1r6h h SER 34 Cb 0.79 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1r6h h SER 34 CO -0.00 0.26 0.26 0.74 -0.87 0.00 0.00 176.83 177.22 1r6h h THR 35 N 0.50 0.93 -0.01 2.95 2.02 -1.98 -2.37 112.91 114.97 1r6h h THR 35 Ca 0.21 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 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 -0.22 0.15 0.37 0.00 0.00 175.52 175.72 1r6h h PHE 36 N 0.24 0.24 -0.94 3.16 3.04 -1.44 -2.64 116.94 118.59 1r6h h PHE 36 Ca 0.17 -0.12 0.10 0.00 3.98 0.00 0.00 57.97 62.10 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 0.91 0.60 -0.84 -2.02 0.00 0.00 178.31 176.96 1r6h h ILE 37 N -0.50 0.96 0.10 1.41 3.07 -1.09 0.40 117.51 121.85 1r6h h ILE 37 Ca -0.03 -0.33 -0.00 0.00 1.55 0.00 0.00 64.86 66.05 1r6h h ILE 37 Cb 0.96 -0.07 0.00 0.00 -0.27 0.00 0.00 36.82 37.44 1r6h h ILE 37 CO 0.04 0.17 -0.05 -0.33 -1.05 0.00 0.00 178.15 176.94 1r6h h GLU 38 N 0.95 -0.13 0.01 0.16 5.08 -1.49 -1.50 114.58 117.66 1r6h h GLU 38 Ca 0.44 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1r6h h GLU 38 Cb 0.42 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1r6h h GLU 38 CO -0.20 0.18 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.54 1r6h h ASP 39 N -0.44 -0.01 -0.57 1.42 5.19 -1.04 0.90 116.42 121.86 1r6h h ASP 39 Ca -0.01 -0.41 0.07 0.00 -0.62 0.00 0.00 57.03 56.06 1r6h h ASP 39 Cb 0.37 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.82 1r6h h ASP 39 CO 0.02 0.40 0.26 -0.07 -3.12 0.00 0.00 179.24 176.73 1r6h h LEU 40 N -0.43 0.33 -0.24 1.55 3.38 -0.31 -0.60 115.31 119.00 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 0.42 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1r6h h LEU 40 CO 0.00 0.21 -0.59 0.50 0.09 0.00 0.00 178.44 178.66 1r6h h LYS 41 N 0.48 0.00 -0.72 1.13 3.11 -1.28 -3.28 116.57 116.01 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 0.25 0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 31.39 1r6h h LYS 41 CO -0.22 0.59 0.30 0.87 -2.81 0.00 0.00 179.45 178.17 1r6h h LYS 42 N 0.00 0.45 -0.67 1.90 1.57 0.25 -0.60 116.57 119.47 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 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.53 1r6h h LYS 42 CO 0.08 0.30 0.22 -0.92 -0.57 0.00 0.00 179.45 178.56 1r6h h TYR 43 N 0.47 1.03 0.00 -1.35 5.03 -1.54 -3.48 116.97 117.13 1r6h h TYR 43 Ca 0.38 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.61 1r6h h TYR 43 Cb 0.53 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.50 1r6h h TYR 43 CO -0.16 0.81 0.00 0.41 -1.32 0.00 0.00 178.16 177.91 1r6h n GLY 44 N -0.88 -2.47 2.87 1.82 0.00 -0.23 -4.96 105.19 101.34 1r6h n GLY 44 Ca 0.05 -1.26 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.84 1.28 0.00 4.61 0.00 -1.25 -4.44 121.76 120.12 1r6h s ALA 45 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1r6h s ALA 45 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1r6h s ALA 45 CO 0.00 -0.61 0.00 2.41 0.00 0.00 0.00 175.76 177.56 1r6h n THR 46 N 4.95 0.00 -0.98 0.00 -1.04 0.15 -4.15 114.28 113.21 1r6h n THR 46 Ca -0.11 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.59 1r6h n THR 46 Cb 0.49 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 69.13 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 -2.76 2.61 -0.00 12.58 -1.32 -1.25 -4.11 115.64 121.38 1r6h s THR 47 Ca 0.00 0.20 0.01 0.00 -1.21 0.00 0.00 61.69 60.69 1r6h s THR 47 Cb 0.00 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 1r6h s THR 47 CO 0.00 -0.25 -0.02 -0.69 -2.21 0.00 0.00 174.62 171.45 1r6h s VAL 48 N -2.72 0.15 -0.34 5.08 1.01 -0.34 -2.59 120.40 120.64 1r6h s VAL 48 Ca 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 1r6h s VAL 48 Cb -0.21 -0.15 0.08 0.00 0.00 0.00 0.00 36.38 36.11 1r6h s VAL 48 CO 0.56 0.05 0.07 0.54 0.00 0.00 0.00 175.10 176.33 1r6h s VAL 49 N 0.08 2.89 -0.29 2.92 0.11 -0.23 0.21 120.40 126.10 1r6h s VAL 49 Ca -0.00 -1.81 -0.02 0.00 -2.93 0.00 0.00 61.98 57.21 1r6h s VAL 49 Cb -0.02 -2.86 0.05 0.00 -1.53 0.00 0.00 36.38 32.01 1r6h s VAL 49 CO -0.00 -0.39 -0.01 0.00 -3.33 0.00 0.00 175.10 171.37 1r6h s ARG 50 N 1.14 2.50 -0.70 1.54 1.70 -1.13 -2.24 118.95 121.76 1r6h s ARG 50 Ca 0.02 -1.22 -0.08 0.00 -0.47 0.00 0.00 55.73 53.99 1r6h s ARG 50 Cb -0.21 -3.16 0.18 0.00 -0.57 0.00 0.00 34.95 31.19 1r6h s ARG 50 CO -0.04 -0.59 0.56 0.08 -1.08 0.00 0.00 175.30 174.24 1r6h s VAL 51 N 1.27 4.50 0.29 4.99 1.01 -1.25 -1.59 120.40 129.61 1r6h s VAL 51 Ca -0.04 -2.69 -0.18 0.00 0.00 0.00 0.00 61.98 59.06 1r6h s VAL 51 Cb -0.19 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1r6h s VAL 51 CO -0.01 -0.93 0.67 0.00 0.00 0.00 0.00 175.10 174.83 1r6h s GLU 53 N -3.70 4.27 -0.12 0.00 0.41 -1.26 -4.03 118.70 114.25 1r6h s GLU 53 Ca 0.14 2.23 -0.29 0.00 -0.41 0.00 0.00 54.97 56.64 1r6h s GLU 53 Cb -0.05 -3.19 -0.02 0.00 -1.78 0.00 0.00 34.13 29.09 1r6h s GLU 53 CO 0.08 -0.52 1.20 0.14 -0.49 0.00 0.00 175.26 175.68 1r6h s VAL 54 N 1.03 4.33 0.00 2.63 -7.23 -1.26 -4.87 120.40 115.03 1r6h s VAL 54 Ca 0.67 1.63 0.00 0.00 -1.81 0.00 0.00 61.98 62.47 1r6h s VAL 54 Cb -0.41 -4.05 0.00 0.00 0.56 0.00 0.00 36.38 32.48 1r6h s VAL 54 CO 0.32 -0.08 0.00 0.35 -0.31 0.00 0.00 175.10 175.38 1r6h n THR 55 N 5.03 0.00 -3.65 5.32 -2.24 -1.26 -4.95 114.28 112.53 1r6h n THR 55 Ca 0.12 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.62 1r6h n THR 55 Cb 0.46 -1.26 -0.12 0.00 -2.10 0.00 0.00 70.33 67.31 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 -2.00 2.10 0.07 4.78 2.02 -1.26 -4.96 117.35 118.11 1r6h s TYR 56 Ca 0.00 -2.63 -0.08 0.00 -0.37 0.00 0.00 57.07 54.00 1r6h s TYR 56 Cb 0.00 -1.77 -0.27 0.00 -0.40 0.00 0.00 41.96 39.52 1r6h s TYR 56 CO 0.00 -0.73 1.14 -0.44 -1.57 0.00 0.00 175.55 173.95 1r6h h ASP 57 N 6.00 0.57 0.03 2.29 5.19 -1.99 -3.36 116.42 125.15 1r6h h ASP 57 Ca 0.13 -0.58 -0.05 0.00 -0.62 0.00 0.00 57.03 55.92 1r6h h ASP 57 Cb 0.87 -0.18 0.01 0.00 0.18 0.00 0.00 39.33 40.20 1r6h h ASP 57 CO 0.51 1.43 -0.21 0.11 -3.12 0.00 0.00 179.24 177.96 1r6h h LYS 58 N 0.13 0.08 -0.55 3.56 1.79 -1.99 -3.20 116.57 116.40 1r6h h LYS 58 Ca -0.15 -0.13 0.10 0.00 -2.18 0.00 0.00 60.65 58.28 1r6h h LYS 58 Cb 1.94 0.05 -0.11 0.00 -1.58 0.00 0.00 32.23 32.53 1r6h h LYS 58 CO 0.22 1.04 -0.33 1.15 -1.08 0.00 0.00 179.45 180.45 1r6h h THR 59 N -0.81 0.19 -0.08 -0.16 2.02 -1.98 0.17 112.91 112.26 1r6h h THR 59 Ca -0.03 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.97 1r6h h THR 59 Cb 1.14 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1r6h h THR 59 CO 0.04 0.00 -0.71 -0.65 0.37 0.00 0.00 175.52 174.57 1r6h h PRO 60 N -0.18 0.38 -0.15 6.66 0.11 -1.75 -2.66 132.00 134.42 1r6h h PRO 60 Ca 0.22 -0.30 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 1r6h h PRO 60 Cb 0.55 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 1r6h h PRO 60 CO -0.65 0.94 -0.25 -0.07 -0.21 0.00 0.00 178.00 177.76 1r6h h LEU 61 N 0.26 0.48 -0.51 2.35 -0.00 -1.41 -2.10 115.31 114.39 1r6h h LEU 61 Ca -0.03 -0.54 -0.14 0.00 -0.00 0.00 0.00 57.88 57.17 1r6h h LEU 61 Cb 1.28 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.78 1r6h h LEU 61 CO 0.12 0.93 -0.67 -0.08 -0.00 0.00 0.00 178.44 178.73 1r6h h GLU 62 N 0.05 0.00 0.13 1.13 4.81 -0.79 0.37 114.58 120.28 1r6h h GLU 62 Ca 0.01 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.96 1r6h h GLU 62 Cb 0.84 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.23 1r6h h GLU 62 CO 0.06 0.67 -1.24 0.87 -0.73 0.00 0.00 179.01 178.64 1r6h h LYS 63 N 0.00 0.39 0.00 1.92 1.79 -1.52 -3.34 116.57 115.81 1r6h h LYS 63 Ca -0.01 -0.60 0.00 0.00 -2.18 0.00 0.00 60.65 57.87 1r6h h LYS 63 Cb 1.28 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 1r6h h LYS 63 CO 0.09 1.26 -1.16 -0.25 -1.08 0.00 0.00 179.45 178.31 1r6h n ASP 64 N -3.64 0.79 -1.76 0.86 8.00 -0.79 -4.97 116.55 115.05 1r6h n ASP 64 Ca -0.10 -0.73 -0.11 0.00 0.71 0.00 0.00 54.79 54.56 1r6h n ASP 64 Cb 1.00 1.22 -0.03 0.00 -0.02 0.00 0.00 41.12 43.30 1r6h n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r6h n GLY 65 N 1.44 0.41 3.87 0.44 0.00 0.13 -4.92 105.19 106.55 1r6h n GLY 65 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1r6h n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r6h s ILE 66 N -2.14 5.02 -0.00 -0.61 1.01 -1.25 -5.06 121.20 118.17 1r6h s ILE 66 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 60.65 60.79 1r6h s ILE 66 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1r6h s ILE 66 CO 0.00 0.13 1.03 0.42 0.00 0.00 0.00 174.94 176.53 1r6h s THR 67 N -1.58 4.67 0.04 2.92 -4.23 -1.26 -4.88 115.64 111.32 1r6h s THR 67 Ca 0.39 1.92 -0.07 0.00 -1.18 0.00 0.00 61.69 62.75 1r6h s THR 67 Cb -0.13 -4.23 -0.00 0.00 1.34 0.00 0.00 72.50 69.47 1r6h s THR 67 CO 0.20 0.12 0.14 0.54 -0.54 0.00 0.00 174.62 175.09 1r6h s VAL 68 N 1.20 0.12 -0.15 2.29 0.11 -1.26 -1.20 120.40 121.51 1r6h s VAL 68 Ca 0.53 -0.97 -0.06 0.00 -2.93 0.00 0.00 61.98 58.55 1r6h s VAL 68 Cb -0.22 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1r6h s VAL 68 CO 0.27 -0.54 0.06 -0.69 -3.33 0.00 0.00 175.10 170.87 1r6h s VAL 69 N -2.49 4.81 -0.44 2.04 1.01 0.13 -4.88 120.40 120.58 1r6h s VAL 69 Ca -0.06 -0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1r6h s VAL 69 Cb -0.02 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.29 1r6h s VAL 69 CO -0.04 0.52 0.34 -1.81 0.00 0.00 0.00 175.10 174.11 1r6h s ASP 70 N -0.11 6.06 -0.38 3.32 1.11 -1.26 -2.84 116.67 122.57 1r6h s ASP 70 Ca 0.07 -1.21 -0.04 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 41.81 1r6h s ASP 70 CO 0.01 -0.57 0.16 0.26 1.18 0.00 0.00 175.17 176.21 1r6h s TRP 71 N 1.62 3.43 0.26 4.23 0.52 -0.62 -5.05 118.94 123.33 1r6h s TRP 71 Ca 0.04 -2.02 0.06 0.00 0.02 0.00 0.00 56.10 54.20 1r6h s TRP 71 Cb -0.22 -2.82 -0.03 0.00 -1.15 0.00 0.00 33.47 29.24 1r6h s TRP 71 CO 0.07 -0.89 0.25 -1.25 0.02 0.00 0.00 176.95 175.16 1r6h s PRO 72 N 1.25 3.06 -0.38 4.98 0.04 -1.26 -0.43 135.00 142.26 1r6h s PRO 72 Ca 0.03 -0.99 0.02 0.00 0.04 0.00 0.00 61.00 60.10 1r6h s PRO 72 Cb -0.22 -2.66 0.11 0.00 0.04 0.00 0.00 34.50 31.78 1r6h s PRO 72 CO -0.02 0.38 0.14 0.12 0.04 0.00 0.00 177.00 177.67 1r6h s PHE 73 N -2.10 2.58 0.43 0.56 5.36 -1.26 -4.95 117.98 118.60 1r6h s PHE 73 Ca 0.34 -2.48 0.01 0.00 -0.96 0.00 0.00 56.93 53.84 1r6h s PHE 73 Cb -0.08 -2.27 0.08 0.00 -0.34 0.00 0.00 43.02 40.42 1r6h s PHE 73 CO 0.26 -0.85 0.59 -0.25 -1.46 0.00 0.00 175.22 173.51 1r6h n ASP 74 N 4.10 0.94 0.20 6.13 9.92 -1.26 -4.95 116.55 131.63 1r6h n ASP 74 Ca 0.03 -1.76 0.18 0.00 -0.53 0.00 0.00 54.79 52.72 1r6h n ASP 74 Cb 0.39 -0.37 0.82 0.00 -0.64 0.00 0.00 41.12 41.32 1r6h n ASP 74 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1r6h h ASP 75 N -0.27 0.00 -2.58 -2.24 5.19 -2.09 -3.11 116.42 111.31 1r6h h ASP 75 Ca -0.20 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.61 1r6h h ASP 75 Cb 0.76 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.86 1r6h h ASP 75 CO 0.22 0.00 -0.68 0.61 -3.12 0.00 0.00 179.24 176.27 1r6h n GLY 76 N -1.37 3.95 3.84 2.75 0.00 -1.26 -5.09 105.19 108.01 1r6h n GLY 76 Ca 0.03 -2.40 -0.33 0.00 0.00 0.00 0.00 46.02 43.32 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 -1.61 3.35 -0.41 4.61 0.00 -1.18 -5.02 121.76 121.51 1r6h s ALA 77 Ca 0.32 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.05 1r6h s ALA 77 Cb 0.06 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1r6h s ALA 77 CO -0.11 0.34 1.49 -1.25 0.00 0.00 0.00 175.76 176.22 1r6h s PRO 78 N -2.78 3.50 0.27 0.00 0.04 -1.26 -4.93 135.00 129.85 1r6h s PRO 78 Ca 0.52 1.00 -0.03 0.00 0.04 0.00 0.00 61.00 62.52 1r6h s PRO 78 Cb -0.11 -4.07 0.35 0.00 0.04 0.00 0.00 34.50 30.70 1r6h s PRO 78 CO 0.18 -1.65 1.82 -1.35 0.04 0.00 0.00 177.00 176.04 1r6h h PRO 79 N 11.17 0.93 -7.02 0.56 0.11 -2.04 -3.45 132.00 132.26 1r6h h PRO 79 Ca -0.29 -0.18 -0.54 0.00 0.11 0.00 0.00 66.00 65.10 1r6h h PRO 79 Cb 1.12 -0.15 0.12 0.00 0.11 0.00 0.00 31.00 32.20 1r6h h PRO 79 CO 1.08 0.80 0.63 -1.25 -0.21 0.00 0.00 178.00 179.05 1r6h s PRO 80 N -5.32 3.42 0.59 1.05 0.04 -1.26 -4.90 135.00 128.61 1r6h s PRO 80 Ca -0.10 2.27 0.38 0.00 0.04 0.00 0.00 61.00 63.58 1r6h s PRO 80 Cb 0.16 -2.44 1.78 0.00 0.04 0.00 0.00 34.50 34.04 1r6h s PRO 80 CO 0.81 -0.98 2.13 0.78 0.04 0.00 0.00 177.00 179.78 1r6h h GLY 81 N 1.87 0.00 0.16 0.56 0.00 -1.98 -3.08 103.07 100.60 1r6h h GLY 81 Ca -0.51 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.08 1r6h h GLY 81 CO 0.59 0.00 0.67 1.70 0.00 0.00 0.00 176.54 179.50 1r6h h LYS 82 N 0.00 0.00 -0.34 4.80 3.64 -1.95 0.49 116.57 123.21 1r6h h LYS 82 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1r6h h LYS 82 Cb 0.30 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1r6h h LYS 82 CO 0.00 0.00 0.11 0.28 -2.27 0.00 0.00 179.45 177.57 1r6h h VAL 83 N 0.00 0.90 -0.94 2.00 2.07 -1.88 0.86 116.25 119.25 1r6h h VAL 83 Ca 0.43 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.96 1r6h h VAL 83 Cb 1.76 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 1r6h h VAL 83 CO -0.00 0.05 0.58 0.58 0.02 0.00 0.00 177.57 178.79 1r6h h VAL 84 N 0.26 0.94 -0.37 2.57 2.07 -0.26 0.62 116.25 122.07 1r6h h VAL 84 Ca 0.15 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.42 1r6h h VAL 84 Cb 0.13 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 1r6h h VAL 84 CO -0.16 0.17 0.26 -0.33 0.02 0.00 0.00 177.57 177.53 1r6h h GLU 85 N 0.95 0.16 0.04 1.57 5.08 -0.50 0.16 114.58 122.04 1r6h h GLU 85 Ca 0.45 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1r6h h GLU 85 Cb 0.39 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1r6h h GLU 85 CO -0.24 0.11 -0.02 0.22 -1.00 0.00 0.00 179.01 178.07 1r6h h ASP 86 N 0.17 -0.04 0.31 1.42 3.58 0.16 -0.78 116.42 121.23 1r6h h ASP 86 Ca 0.17 -0.19 -0.06 0.00 0.42 0.00 0.00 57.03 57.37 1r6h h ASP 86 Cb 0.47 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1r6h h ASP 86 CO -0.03 0.17 -0.30 -0.25 -2.88 0.00 0.00 179.24 175.95 1r6h h TRP 87 N -0.25 0.00 -0.74 0.28 2.91 -0.97 -2.16 115.95 115.02 1r6h h TRP 87 Ca -0.01 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.98 1r6h h TRP 87 Cb 0.23 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.85 1r6h h TRP 87 CO -0.01 0.30 0.33 -0.07 -1.03 0.00 0.00 178.44 177.97 1r6h h LEU 88 N 0.00 0.97 -0.33 0.65 3.38 -0.23 0.04 115.31 119.78 1r6h h LEU 88 Ca -0.00 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1r6h h LEU 88 Cb 0.54 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1r6h h LEU 88 CO 0.04 0.83 -0.09 -1.28 0.09 0.00 0.00 178.44 178.03 1r6h h SER 89 N 1.05 0.65 0.13 -0.43 0.87 -0.52 0.55 113.55 115.85 1r6h h SER 89 Ca 0.25 -0.37 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1r6h h SER 89 Cb 0.14 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1r6h h SER 89 CO -0.03 0.87 -0.06 0.25 -0.53 0.00 0.00 176.83 177.33 1r6h h LEU 90 N 0.42 -0.15 -0.70 2.23 7.12 -1.08 -1.68 115.31 121.48 1r6h h LEU 90 Ca 0.08 -0.02 -0.13 0.00 0.13 0.00 0.00 57.88 57.95 1r6h h LEU 90 Cb 0.59 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.75 1r6h h LEU 90 CO 0.03 -0.08 -0.37 1.62 -0.13 0.00 0.00 178.44 179.51 1r6h h VAL 91 N -0.20 1.29 -0.45 1.05 3.04 -0.98 -2.54 116.25 117.46 1r6h h VAL 91 Ca -0.02 -1.52 0.04 0.00 -1.01 0.00 0.00 66.70 64.19 1r6h h VAL 91 Cb 0.15 1.51 -0.04 0.00 -2.01 0.00 0.00 31.29 30.90 1r6h h VAL 91 CO 0.03 0.48 0.21 0.11 -1.01 0.00 0.00 177.57 177.40 1r6h h LYS 92 N 0.48 0.42 -0.38 4.17 1.79 0.33 0.67 116.57 124.05 1r6h h LYS 92 Ca 0.05 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 1r6h h LYS 92 Cb 0.87 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 1r6h h LYS 92 CO 0.07 0.28 -0.03 0.00 -1.08 0.00 0.00 179.45 178.69 1r6h h ALA 93 N 1.25 0.52 0.00 3.86 0.00 -1.24 0.12 119.26 123.77 1r6h h ALA 93 Ca 0.20 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1r6h h ALA 93 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1r6h h ALA 93 CO -0.15 0.32 -0.31 0.87 0.00 0.00 0.00 179.25 179.98 1r6h h LYS 94 N 0.51 0.00 0.00 0.00 1.79 -1.01 -1.90 116.57 115.96 1r6h h LYS 94 Ca 0.11 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.53 1r6h h LYS 94 Cb 0.51 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1r6h h LYS 94 CO 0.03 0.31 -0.24 0.74 -1.08 0.00 0.00 179.45 179.20 1r6h h PHE 95 N 0.00 0.00 -0.81 -1.35 -1.00 0.60 -2.29 116.94 112.09 1r6h h PHE 95 Ca -0.00 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1r6h h PHE 95 Cb 0.71 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.23 1r6h h PHE 95 CO 0.00 1.00 0.54 0.00 -1.61 0.00 0.00 178.31 178.24 1r6h h GLU 97 N 1.09 0.22 -3.16 0.00 4.81 -1.48 -3.40 114.58 112.66 1r6h h GLU 97 Ca 0.30 -0.24 -0.62 0.00 -0.13 0.00 0.00 59.36 58.67 1r6h h GLU 97 Cb -0.11 0.07 -0.40 0.00 0.63 0.00 0.00 28.75 28.93 1r6h h GLU 97 CO -0.07 0.97 -0.70 0.00 -0.73 0.00 0.00 179.01 178.49 1r6h s ALA 98 N -3.19 2.59 0.21 2.92 0.00 -0.85 -5.08 121.76 118.34 1r6h s ALA 98 Ca -0.03 -2.84 -0.30 0.00 0.00 0.00 0.00 51.96 48.79 1r6h s ALA 98 Cb 0.10 -1.99 -0.08 0.00 0.00 0.00 0.00 23.12 21.15 1r6h s ALA 98 CO 0.83 -2.04 1.21 -2.14 0.00 0.00 0.00 175.76 173.62 1r6h s PRO 99 N 0.14 4.48 -1.14 0.00 0.02 -1.12 -3.78 135.00 133.60 1r6h s PRO 99 Ca 0.17 1.91 -0.05 0.00 0.02 0.00 0.00 61.00 63.06 1r6h s PRO 99 Cb -0.25 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.02 1r6h s PRO 99 CO -0.00 -0.09 0.90 0.41 -0.33 0.00 0.00 177.00 177.89 1r6h n GLY 100 N 2.03 -0.77 0.00 0.52 0.00 -1.26 -4.98 105.19 100.73 1r6h n GLY 100 Ca 0.04 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1r6h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r6h n SER 101 N -3.12 0.13 -4.10 1.61 7.64 -1.25 -4.73 113.62 109.80 1r6h n SER 101 Ca -0.18 -0.35 -0.33 0.00 1.01 0.00 0.00 58.87 59.03 1r6h n SER 101 Cb 0.64 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.69 1r6h n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r6h s VAL 103 N 1.19 3.95 0.06 0.00 1.01 -1.23 0.33 120.40 125.71 1r6h s VAL 103 Ca -0.03 -1.08 0.09 0.00 0.00 0.00 0.00 61.98 60.96 1r6h s VAL 103 Cb -0.17 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1r6h s VAL 103 CO -0.07 0.07 -0.26 0.00 0.00 0.00 0.00 175.10 174.84 1r6h s ALA 104 N -1.39 2.20 0.15 5.51 0.00 -1.07 0.63 121.76 127.79 1r6h s ALA 104 Ca 0.26 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1r6h s ALA 104 Cb -0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1r6h s ALA 104 CO 0.18 0.52 0.09 0.08 0.00 0.00 0.00 175.76 176.63 1r6h s VAL 105 N -0.84 0.07 0.70 0.00 1.01 0.53 -1.06 120.40 120.81 1r6h s VAL 105 Ca 0.11 -1.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.03 1r6h s VAL 105 Cb -0.10 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1r6h s VAL 105 CO 0.02 -0.32 1.14 -2.28 0.00 0.00 0.00 175.10 173.66 1r6h s HIS 106 N -4.08 2.41 -0.65 5.22 5.65 -0.95 0.11 115.29 123.00 1r6h s HIS 106 Ca 0.28 1.58 -0.26 0.00 0.25 0.00 0.00 55.06 56.91 1r6h s HIS 106 Cb 0.07 -3.25 -0.03 0.00 -1.18 0.00 0.00 32.58 28.19 1r6h s HIS 106 CO 0.05 -2.01 1.92 0.00 -0.65 0.00 0.00 174.74 174.05 1r6h n VAL 108 N 7.39 0.00 0.00 0.00 0.31 -1.26 -3.87 118.33 120.90 1r6h n VAL 108 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1r6h n VAL 108 Cb 0.51 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 1r6h n VAL 108 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r6h n ALA 109 N -0.94 1.04 -2.82 3.52 0.00 -1.26 -4.42 120.51 115.62 1r6h n ALA 109 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1r6h n ALA 109 Cb 0.08 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.42 2.31 3.05 0.00 0.00 -1.25 -5.05 105.19 102.83 1r6h n GLY 110 Ca 0.00 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 1.69 0.00 0.99 1.43 -1.26 -4.23 118.68 117.29 1r6h s LEU 111 Ca 0.00 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1r6h s LEU 111 Cb 0.00 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.22 1r6h s LEU 111 CO 0.00 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.22 1r6h n GLY 112 N 4.04 3.00 0.00 -3.19 0.00 -1.26 -4.98 105.19 102.80 1r6h n GLY 112 Ca -0.20 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 1.97 -0.22 1.61 3.00 -1.26 -4.55 116.66 117.22 1r6h n ARG 113 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.85 57.86 1r6h n ARG 113 Cb 0.00 -0.83 0.13 0.00 0.00 0.00 0.00 32.46 31.77 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 0.80 -0.49 7.54 0.00 -1.88 -2.75 119.26 122.49 1r6h h ALA 114 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1r6h h ALA 114 Cb 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 1r6h h ALA 114 CO 0.00 -0.29 0.01 -1.00 0.00 0.00 0.00 179.25 177.97 1r6h h PRO 115 N 0.30 0.12 -0.49 0.00 0.13 -1.89 0.95 132.00 131.12 1r6h h PRO 115 Ca 0.35 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.46 1r6h h PRO 115 Cb 0.52 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 1r6h h PRO 115 CO -0.42 0.08 0.27 0.28 -0.23 0.00 0.00 178.00 177.98 1r6h h VAL 116 N 0.12 1.17 -0.41 1.56 2.07 -1.84 -2.41 116.25 116.51 1r6h h VAL 116 Ca 0.24 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1r6h h VAL 116 Cb 0.36 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1r6h h VAL 116 CO -0.40 0.18 0.26 -0.07 0.02 0.00 0.00 177.57 177.57 1r6h h LEU 117 N 0.65 0.44 0.26 2.57 3.38 -1.12 -2.15 115.31 119.33 1r6h h LEU 117 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1r6h h LEU 117 Cb 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1r6h h LEU 117 CO -0.03 0.32 -0.29 0.58 0.09 0.00 0.00 178.44 179.12 1r6h h VAL 118 N 0.53 0.40 -0.45 1.22 2.07 -0.59 -1.45 116.25 117.97 1r6h h VAL 118 Ca 0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.76 1r6h h VAL 118 Cb -0.04 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.05 1r6h h VAL 118 CO -0.05 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.55 1r6h h ALA 119 N 0.03 0.43 -0.37 1.67 0.00 -1.36 0.16 119.26 119.82 1r6h h ALA 119 Ca -0.00 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1r6h h ALA 119 Cb 0.55 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1r6h h ALA 119 CO -0.08 -0.38 0.26 -0.07 0.00 0.00 0.00 179.25 178.98 1r6h h LEU 120 N 0.12 0.09 -0.66 0.00 -0.00 -1.10 0.16 115.31 113.92 1r6h h LEU 120 Ca 0.23 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.96 1r6h h LEU 120 Cb 0.33 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1r6h h LEU 120 CO -0.37 0.06 -0.53 0.00 -0.00 0.00 0.00 178.44 177.60 1r6h h ALA 121 N 1.81 0.84 0.00 1.53 0.00 0.38 -2.55 119.26 121.27 1r6h h ALA 121 Ca 0.17 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1r6h h ALA 121 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1r6h h ALA 121 CO -0.02 0.68 0.00 1.25 0.00 0.00 0.00 179.25 181.16 1r6h h LEU 122 N 0.30 0.00 -1.93 0.00 5.85 0.15 -3.16 115.31 116.51 1r6h h LEU 122 Ca 0.01 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1r6h h LEU 122 Cb 1.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1r6h h LEU 122 CO 0.09 0.00 0.23 0.40 -0.34 0.00 0.00 178.44 178.82 1r6h h ILE 123 N 0.00 0.88 0.00 4.05 2.04 -0.80 0.60 117.51 124.28 1r6h h ILE 123 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1r6h h ILE 123 Cb 0.64 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1r6h h ILE 123 CO 0.00 0.01 0.00 1.05 0.00 0.00 0.00 178.15 179.21 1r6h h GLU 124 N 0.08 0.00 0.00 2.37 4.11 -1.70 -3.15 114.58 116.29 1r6h h GLU 124 Ca 0.15 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.51 1r6h h GLU 124 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1r6h h GLU 124 CO -0.01 0.00 -0.32 1.03 0.07 0.00 0.00 179.01 179.78 1r6h h SER 125 N 0.00 0.00 0.00 3.06 0.87 -1.08 -3.50 113.55 112.91 1r6h h SER 125 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1r6h h SER 125 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1r6h h SER 125 CO 0.00 0.32 0.00 0.61 -0.53 0.00 0.00 176.83 177.23 1r6h n GLY 126 N 1.12 -0.24 3.45 5.77 0.00 -1.19 -5.00 105.19 109.10 1r6h n GLY 126 Ca 0.03 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 0.48 0.10 1.61 -0.00 -1.26 -4.70 117.12 113.35 1r6h n MET 127 Ca 0.00 -1.50 -0.04 0.00 -0.00 0.00 0.00 57.70 56.16 1r6h n MET 127 Cb 0.00 -3.08 -0.02 0.00 -0.00 0.00 0.00 33.22 30.12 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 10.00 -0.25 -0.10 3.17 -0.00 -1.81 0.30 116.57 127.88 1r6h h LYS 128 Ca 0.22 0.02 -0.11 0.00 -0.00 0.00 0.00 60.65 60.78 1r6h h LYS 128 Cb 0.80 0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 33.07 1r6h h LYS 128 CO 1.68 -0.17 -0.44 -0.92 -0.00 0.00 0.00 179.45 179.60 1r6h h TYR 129 N -0.31 0.26 0.02 0.07 3.20 -1.91 -0.25 116.97 118.05 1r6h h TYR 129 Ca -0.03 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.77 1r6h h TYR 129 Cb 0.20 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1r6h h TYR 129 CO 0.14 0.63 -0.01 0.93 -1.64 0.00 0.00 178.16 178.21 1r6h h GLU 130 N 0.18 -0.02 -0.38 1.82 3.07 -1.93 -2.62 114.58 114.70 1r6h h GLU 130 Ca 0.01 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.76 1r6h h GLU 130 Cb 0.85 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 1r6h h GLU 130 CO 0.07 0.57 -0.22 0.22 -1.40 0.00 0.00 179.01 178.25 1r6h h ASP 131 N -0.64 0.75 0.02 1.42 3.58 -0.39 0.78 116.42 121.94 1r6h h ASP 131 Ca -0.00 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.18 1r6h h ASP 131 Cb 0.60 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1r6h h ASP 131 CO 0.00 0.95 -0.01 0.00 -2.88 0.00 0.00 179.24 177.30 1r6h h ALA 132 N 1.11 -0.03 -0.17 -0.78 0.00 -1.11 0.77 119.26 119.06 1r6h h ALA 132 Ca 0.09 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1r6h h ALA 132 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1r6h h ALA 132 CO 0.05 -0.49 -0.70 0.82 0.00 0.00 0.00 179.25 178.93 1r6h h ILE 133 N -0.08 1.30 -0.00 0.00 1.08 -1.42 -1.64 117.51 116.75 1r6h h ILE 133 Ca -0.00 -1.94 -0.01 0.00 -0.39 0.00 0.00 64.86 62.51 1r6h h ILE 133 Cb 0.07 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.74 1r6h h ILE 133 CO 0.00 0.61 -0.03 1.56 -0.69 0.00 0.00 178.15 179.60 1r6h h GLN 134 N 0.50 0.03 -0.14 2.37 4.20 -0.75 -1.42 115.11 119.91 1r6h h GLN 134 Ca -0.03 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 1r6h h GLN 134 Cb 1.31 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 1r6h h GLN 134 CO 0.14 0.73 -0.51 0.35 -0.67 0.00 0.00 178.83 178.87 1r6h h PHE 135 N -0.66 0.46 -0.01 2.96 3.57 0.45 -2.55 116.94 121.16 1r6h h PHE 135 Ca -0.00 -0.15 -0.15 0.00 3.53 0.00 0.00 57.97 61.19 1r6h h PHE 135 Cb 0.74 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1r6h h PHE 135 CO 0.17 0.81 -0.71 0.97 -2.23 0.00 0.00 178.31 177.32 1r6h h ILE 136 N 0.30 1.49 -0.07 1.41 2.10 -1.37 -2.67 117.51 118.70 1r6h h ILE 136 Ca 0.01 -2.39 -0.01 0.00 1.08 0.00 0.00 64.86 63.55 1r6h h ILE 136 Cb 1.00 2.29 -0.00 0.00 -1.09 0.00 0.00 36.82 39.02 1r6h h ILE 136 CO 0.09 0.69 0.01 0.03 -1.08 0.00 0.00 178.15 177.88 1r6h h ARG 137 N 0.03 0.12 -0.50 2.19 2.47 -1.05 -3.11 114.38 114.53 1r6h h ARG 137 Ca -0.01 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1r6h h ARG 137 Cb 1.26 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.54 1r6h h ARG 137 CO 0.10 0.35 0.33 1.96 0.56 0.00 0.00 179.97 183.26 1r6h h GLN 138 N -0.13 0.65 -6.93 0.04 4.20 -1.47 -3.43 115.11 108.03 1r6h h GLN 138 Ca 0.02 -0.04 -0.48 0.00 0.06 0.00 0.00 58.65 58.22 1r6h h GLN 138 Cb 0.29 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1r6h h GLN 138 CO 0.00 0.43 0.22 0.15 -0.67 0.00 0.00 178.83 178.96 1r6h s LYS 139 N -6.15 4.00 -0.20 1.46 -0.14 -1.01 -5.00 119.74 112.70 1r6h s LYS 139 Ca -0.13 0.80 -0.29 0.00 -1.36 0.00 0.00 55.97 54.99 1r6h s LYS 139 Cb 0.12 -2.30 -0.02 0.00 -1.68 0.00 0.00 37.83 33.96 1r6h s LYS 139 CO 0.74 -0.02 1.40 0.50 -0.76 0.00 0.00 175.35 177.21 1r6h s ARG 140 N -3.44 4.04 0.31 1.68 3.00 -1.26 -4.79 118.95 118.50 1r6h s ARG 140 Ca 0.57 1.61 0.09 0.00 -1.00 0.00 0.00 55.73 56.99 1r6h s ARG 140 Cb -0.10 -3.88 -0.05 0.00 0.00 0.00 0.00 34.95 30.92 1r6h s ARG 140 CO 0.22 -0.97 0.02 -0.98 0.00 0.00 0.00 175.30 173.59 1r6h s ARG 141 N 4.01 2.18 0.00 5.12 3.03 -1.26 -4.55 118.95 127.49 1r6h s ARG 141 Ca 0.61 -1.61 0.00 0.00 2.03 0.00 0.00 55.73 56.76 1r6h s ARG 141 Cb -0.22 -2.04 0.00 0.00 -1.03 0.00 0.00 34.95 31.66 1r6h s ARG 141 CO 0.22 0.21 0.00 0.41 -1.13 0.00 0.00 175.30 175.01 1r6h n GLY 142 N -0.96 -3.21 3.45 3.88 0.00 -1.26 -4.83 105.19 102.26 1r6h n GLY 142 Ca -0.05 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.10 3.15 -0.47 4.61 0.00 -1.26 -4.93 121.76 120.75 1r6h s ALA 143 Ca 0.00 -1.97 -0.23 0.00 0.00 0.00 0.00 51.96 49.76 1r6h s ALA 143 Cb 0.00 -3.88 0.03 0.00 0.00 0.00 0.00 23.12 19.27 1r6h s ALA 143 CO 0.00 -2.79 0.79 0.42 0.00 0.00 0.00 175.76 174.18 1r6h s ILE 144 N 3.86 4.63 0.00 0.00 1.01 -1.26 -4.91 121.20 124.53 1r6h s ILE 144 Ca 0.23 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1r6h s ILE 144 Cb -0.16 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 37.96 1r6h s ILE 144 CO 0.07 -0.78 0.00 -3.20 0.00 0.00 0.00 174.94 171.03 1r6h n ASN 145 N 6.77 0.00 -0.07 3.58 5.15 -1.26 -4.99 115.26 124.44 1r6h n ASN 145 Ca 0.01 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.92 1r6h n ASN 145 Cb 0.48 -0.03 -0.03 0.00 -0.53 0.00 0.00 39.78 39.67 1r6h n ASN 145 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1r6h n SER 146 N -1.46 1.71 -0.14 1.20 3.41 -1.26 -4.63 113.62 112.46 1r6h n SER 146 Ca 0.00 0.29 -0.05 0.00 -0.26 0.00 0.00 58.87 58.85 1r6h n SER 146 Cb 0.00 -0.69 0.02 0.00 -0.26 0.00 0.00 64.21 63.27 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 -0.85 -0.12 -0.04 4.33 3.11 -1.96 0.85 116.57 121.88 1r6h h LYS 147 Ca 0.00 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.88 1r6h h LYS 147 Cb 0.85 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.08 1r6h h LYS 147 CO 0.00 -0.08 -0.13 0.37 -2.81 0.00 0.00 179.45 176.80 1r6h h GLN 148 N -0.13 -0.19 -0.05 1.90 -0.00 -1.94 0.55 115.11 115.24 1r6h h GLN 148 Ca 0.21 0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 58.81 1r6h h GLN 148 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.99 1r6h h GLN 148 CO -0.54 -0.13 -0.23 -0.07 0.00 0.00 0.00 178.83 177.87 1r6h h LEU 149 N -0.20 0.29 -0.77 -2.39 -0.00 -1.78 -2.60 115.31 107.85 1r6h h LEU 149 Ca 0.06 -0.65 -0.10 0.00 -0.00 0.00 0.00 57.88 57.19 1r6h h LEU 149 Cb 0.28 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.84 1r6h h LEU 149 CO -0.16 0.89 -0.15 0.74 -0.00 0.00 0.00 178.44 179.76 1r6h h THR 150 N -0.30 1.26 0.06 0.22 2.02 -0.82 0.12 112.91 115.48 1r6h h THR 150 Ca -0.01 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 1r6h h THR 150 Cb 0.88 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1r6h h THR 150 CO 0.05 0.41 -0.03 0.22 0.37 0.00 0.00 175.52 176.54 1r6h h TYR 151 N 0.69 -0.07 -0.04 3.16 3.20 0.03 -1.92 116.97 122.02 1r6h h TYR 151 Ca 0.11 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 1r6h h TYR 151 Cb 0.64 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1r6h h TYR 151 CO 0.03 0.31 -0.53 1.25 -1.64 0.00 0.00 178.16 177.59 1r6h h LEU 152 N -0.47 0.13 -1.11 2.82 6.46 -1.48 -1.75 115.31 119.91 1r6h h LEU 152 Ca -0.01 -0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1r6h h LEU 152 Cb 0.42 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 1r6h h LEU 152 CO 0.01 0.64 0.61 -0.08 -0.62 0.00 0.00 178.44 179.00 1r6h h GLU 153 N 0.09 1.15 0.00 1.25 4.81 -0.71 0.15 114.58 121.32 1r6h h GLU 153 Ca -0.00 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 1r6h h GLU 153 Cb 0.97 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1r6h h GLU 153 CO 0.08 0.76 -0.52 -0.22 -0.73 0.00 0.00 179.01 178.38 1r6h h LYS 154 N 1.18 0.00 -0.01 1.92 3.11 -0.90 -2.78 116.57 119.08 1r6h h LYS 154 Ca 0.36 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 58.13 1r6h h LYS 154 Cb -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.19 1r6h h LYS 154 CO -0.10 0.52 -0.30 -0.92 -2.81 0.00 0.00 179.45 175.84 1r6h h TYR 155 N 0.00 0.02 -3.65 1.91 5.03 0.13 -3.35 116.97 117.06 1r6h h TYR 155 Ca -0.01 -0.00 -0.74 0.00 2.58 0.00 0.00 58.73 60.56 1r6h h TYR 155 Cb 0.96 -0.01 -0.31 0.00 1.55 0.00 0.00 36.73 38.92 1r6h h TYR 155 CO 0.00 0.32 -0.12 0.50 -1.32 0.00 0.00 178.16 177.53 1r6h s ARG 156 N -4.37 3.12 0.65 1.82 3.00 -0.58 -5.06 118.95 117.53 1r6h s ARG 156 Ca -0.03 -2.60 -0.16 0.00 -1.00 0.00 0.00 55.73 51.93 1r6h s ARG 156 Cb 0.15 -4.07 -0.00 0.00 0.00 0.00 0.00 34.95 31.03 1r6h s ARG 156 CO 0.72 -1.23 1.15 -1.25 0.00 0.00 0.00 175.30 174.69 1r6h s PRO 157 N -0.14 2.73 -0.13 5.12 0.04 -1.26 -4.91 135.00 136.45 1r6h s PRO 157 Ca 0.19 1.59 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 1r6h s PRO 157 Cb -0.15 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.53 1r6h s PRO 157 CO -0.06 -1.35 0.27 0.21 0.04 0.00 0.00 177.00 176.11 1r6h s LYS 158 N -3.80 0.18 0.19 4.56 2.20 -1.26 -5.01 119.74 116.79 1r6h s LYS 158 Ca 0.71 0.69 0.20 0.00 -0.36 0.00 0.00 55.97 57.22 1r6h s LYS 158 Cb -0.25 -0.05 0.87 0.00 -1.51 0.00 0.00 37.83 36.89 1r6h s LYS 158 CO 0.39 -0.24 1.62 1.04 -0.36 0.00 0.00 175.35 177.80 1r6h n GLN 159 N 4.96 0.13 -0.31 4.03 3.00 -1.26 -2.95 117.38 124.98 1r6h n GLN 159 Ca -0.13 0.39 -0.02 0.00 -0.01 0.00 0.00 57.00 57.24 1r6h n GLN 159 Cb 0.51 -1.77 0.11 0.00 0.00 0.00 0.00 30.24 29.09 1r6h n GLN 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1r6h h ARG 160 N 0.00 1.06 0.04 -1.09 3.08 -2.00 -3.18 114.38 112.28 1r6h h ARG 160 Ca 0.00 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 59.80 1r6h h ARG 160 Cb 0.30 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1r6h h ARG 160 CO 0.00 0.70 -0.99 1.25 -1.07 0.00 0.00 179.97 179.86 1r6h h LEU 161 N 1.09 0.12-10.43 3.04 5.85 -1.98 -3.47 115.31 109.52 1r6h h LEU 161 Ca 0.34 -0.75 -0.48 0.00 0.84 0.00 0.00 57.88 57.83 1r6h h LEU 161 Cb -0.01 -0.04 0.12 0.00 0.37 0.00 0.00 40.66 41.10 1r6h h LEU 161 CO -0.11 1.41 0.32 -0.13 -0.34 0.00 0.00 178.44 179.59 1r6h s ARG 162 N -2.36 1.73 -0.11 1.25 1.81 -1.20 -5.02 118.95 115.05 1r6h s ARG 162 Ca -0.23 0.55 -0.19 0.00 -1.72 0.00 0.00 55.73 54.13 1r6h s ARG 162 Cb 0.03 -1.89 -0.04 0.00 -0.45 0.00 0.00 34.95 32.60 1r6h s ARG 162 CO 0.67 -1.84 0.51 0.12 -0.68 0.00 0.00 175.30 174.08 1r6h s PHE 163 N -3.17 3.52 -0.26 -0.53 5.36 -1.26 -4.77 117.98 116.86 1r6h s PHE 163 Ca 0.62 0.94 -0.10 0.00 -0.96 0.00 0.00 56.93 57.43 1r6h s PHE 163 Cb -0.15 -2.59 -0.04 0.00 -0.34 0.00 0.00 43.02 39.90 1r6h s PHE 163 CO 0.54 0.15 0.15 -1.59 -1.46 0.00 0.00 175.22 173.01 1r6h s LYS 164 N 0.66 3.86 0.22 10.12 -2.85 -1.26 -5.08 119.74 125.41 1r6h s LYS 164 Ca 0.28 -0.37 -0.30 0.00 -1.00 0.00 0.00 55.97 54.58 1r6h s LYS 164 Cb -0.15 -3.53 -0.08 0.00 -2.06 0.00 0.00 37.83 32.00 1r6h s LYS 164 CO 0.11 -0.15 1.06 0.34 0.10 0.00 0.00 175.35 176.81 1r6h s ASP 165 N 1.62 7.36 0.03 0.03 2.15 -1.26 -4.98 116.67 121.63 1r6h s ASP 165 Ca 0.07 2.11 -0.19 0.00 0.43 0.00 0.00 52.55 54.96 1r6h s ASP 165 Cb -0.15 -2.61 -0.17 0.00 -0.30 0.00 0.00 42.92 39.68 1r6h s ASP 165 CO 0.08 -0.11 1.24 1.55 -0.17 0.00 0.00 175.17 177.76 1r6h h PRO 166 N 4.49 0.44 -5.25 4.34 0.13 -2.07 -3.43 132.00 130.64 1r6h h PRO 166 Ca -0.45 -0.32 -0.62 0.00 -0.87 0.00 0.00 66.00 63.73 1r6h h PRO 166 Cb 1.21 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 32.22 1r6h h PRO 166 CO 0.70 0.95 -0.59 -1.01 -0.23 0.00 0.00 178.00 177.81 1r6h s HIS 167 N -3.79 3.18 -0.43 1.56 3.76 -1.26 -5.08 115.29 113.23 1r6h s HIS 167 Ca -0.14 -0.06 -0.16 0.00 -0.15 0.00 0.00 55.06 54.56 1r6h s HIS 167 Cb 0.05 -2.06 0.03 0.00 1.11 0.00 0.00 32.58 31.71 1r6h s HIS 167 CO 0.79 0.06 0.36 0.95 -0.85 0.00 0.00 174.74 176.06 1r6h s THR 168 N 0.48 5.20 -0.28 1.30 -4.23 -1.26 -5.05 115.64 111.80 1r6h s THR 168 Ca 0.01 -0.66 -0.23 0.00 -1.18 0.00 0.00 61.69 59.64 1r6h s THR 168 Cb -0.13 -4.01 -0.01 0.00 1.34 0.00 0.00 72.50 69.69 1r6h s THR 168 CO 0.01 -0.41 0.74 -2.28 -0.54 0.00 0.00 174.62 172.15 1r6h s HIS 169 N 1.82 3.25 -0.19 3.99 2.46 -1.26 -5.04 115.29 120.32 1r6h s HIS 169 Ca 0.07 0.87 -0.04 0.00 0.47 0.00 0.00 55.06 56.43 1r6h s HIS 169 Cb -0.20 -3.06 -0.02 0.00 -0.13 0.00 0.00 32.58 29.17 1r6h s HIS 169 CO 0.10 -0.46 -0.04 0.15 -2.47 0.00 0.00 174.74 172.03 1r6h s LYS 170 N 2.78 3.52 -0.33 2.88 1.02 -1.26 -5.09 119.74 123.27 1r6h s LYS 170 Ca 0.31 -0.58 -0.14 0.00 0.02 0.00 0.00 55.97 55.58 1r6h s LYS 170 Cb -0.15 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.18 1r6h s LYS 170 CO 0.10 0.02 0.30 -0.08 -0.92 0.00 0.00 175.35 174.77 1r6h s THR 171 N 0.92 5.23 0.00 2.17 -1.32 -1.26 -5.36 115.64 116.03 1r6h s THR 171 Ca -0.00 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1r6h s THR 171 Cb -0.15 -3.74 0.00 0.00 -1.51 0.00 0.00 72.50 67.11 1r6h s THR 171 CO 0.01 -0.00 0.00 -1.14 -2.21 0.00 0.00 174.62 171.28