#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6h s SER 2 N 0.00 -0.08 -0.13 1.61 0.15 -1.26 -5.10 113.70 108.90 1r6h s SER 2 Ca 0.00 -0.05 -0.12 0.00 0.70 0.00 0.00 55.95 56.48 1r6h s SER 2 Cb 0.00 0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 1r6h s SER 2 CO 0.00 -0.22 -0.23 1.57 1.20 0.00 0.00 173.24 175.56 1r6h n HIS 3 N -0.27 0.20 -1.92 3.44 -0.00 -1.26 -4.88 115.22 110.54 1r6h n HIS 3 Ca -0.03 0.09 -0.43 0.00 -0.00 0.00 0.00 57.72 57.34 1r6h n HIS 3 Cb 0.60 -0.45 -0.03 0.00 -0.00 0.00 0.00 29.99 30.12 1r6h n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1r6h s MET 4 N -2.29 3.38 0.16 1.57 0.00 -1.26 -4.36 119.30 116.50 1r6h s MET 4 Ca -0.19 1.63 0.00 0.00 0.00 0.00 0.00 55.69 57.13 1r6h s MET 4 Cb 0.03 -4.21 0.00 0.00 0.00 0.00 0.00 34.83 30.64 1r6h s MET 4 CO 0.28 -1.81 0.00 0.00 0.00 0.00 0.00 175.02 173.49 1r6h n ALA 5 N 10.25 0.00 -1.38 3.16 0.00 -1.26 -4.96 120.51 126.33 1r6h n ALA 5 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 1r6h n ALA 5 Cb 0.46 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.02 1r6h n ALA 5 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1r6h n ARG 6 N -2.84 2.59 -3.92 0.00 1.85 -1.26 -4.90 116.66 108.18 1r6h n ARG 6 Ca 0.00 -3.29 -0.26 0.00 -1.00 0.00 0.00 57.85 53.31 1r6h n ARG 6 Cb 0.00 -2.22 -0.17 0.00 -1.05 0.00 0.00 32.46 29.01 1r6h n ARG 6 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1r6h s MET 7 N -3.62 1.34 -0.36 2.89 0.23 -1.26 -5.08 119.30 113.42 1r6h s MET 7 Ca 0.60 -0.19 0.01 0.00 -1.03 0.00 0.00 55.69 55.09 1r6h s MET 7 Cb 0.49 -1.44 0.15 0.00 -1.53 0.00 0.00 34.83 32.50 1r6h s MET 7 CO 0.03 -0.25 0.26 1.21 -2.03 0.00 0.00 175.02 174.24 1r6h s ASN 8 N 1.68 2.38 -0.50 -1.18 3.84 -1.26 -5.03 114.94 114.87 1r6h s ASN 8 Ca 0.03 -2.17 0.06 0.00 0.21 0.00 0.00 52.86 50.99 1r6h s ASN 8 Cb -0.13 -0.19 0.19 0.00 -0.55 0.00 0.00 41.25 40.58 1r6h s ASN 8 CO -0.07 -0.28 0.76 -0.60 -2.79 0.00 0.00 177.10 174.12 1r6h s ARG 9 N 1.02 0.98 0.56 0.43 3.52 -1.26 -5.15 118.95 119.05 1r6h s ARG 9 Ca 0.20 -0.94 -0.19 0.00 -0.13 0.00 0.00 55.73 54.67 1r6h s ARG 9 Cb -0.18 -0.04 -0.07 0.00 -1.56 0.00 0.00 34.95 33.11 1r6h s ARG 9 CO -0.02 -1.22 0.85 -2.30 -0.81 0.00 0.00 175.30 171.79 1r6h n PRO 10 N 3.01 0.85 -2.54 5.12 -0.02 -1.26 -4.99 135.00 135.17 1r6h n PRO 10 Ca 0.17 0.33 -0.28 0.00 -2.02 0.00 0.00 63.50 61.70 1r6h n PRO 10 Cb 0.57 -2.02 0.01 0.00 -0.02 0.00 0.00 33.50 32.04 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 -1.53 3.36 0.86 3.55 0.00 -1.26 -4.85 121.76 121.89 1r6h s ALA 11 Ca 0.72 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 1r6h s ALA 11 Cb -0.45 -2.63 0.11 0.00 0.00 0.00 0.00 23.12 20.15 1r6h s ALA 11 CO 0.50 -0.45 1.09 -1.25 0.00 0.00 0.00 175.76 175.66 1r6h s PRO 12 N -4.82 1.54 -0.08 0.00 0.04 -1.26 -4.90 135.00 125.53 1r6h s PRO 12 Ca 0.49 0.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.41 1r6h s PRO 12 Cb -0.10 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.64 1r6h s PRO 12 CO 0.46 -2.07 0.17 0.08 0.04 0.00 0.00 177.00 175.68 1r6h s VAL 13 N -2.93 -0.07 -0.26 -0.36 1.01 0.76 -4.96 120.40 113.60 1r6h s VAL 13 Ca 0.63 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 1r6h s VAL 13 Cb -0.18 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1r6h s VAL 13 CO 0.57 0.08 0.00 -1.61 0.00 0.00 0.00 175.10 174.13 1r6h s GLU 14 N 1.28 3.12 -0.25 2.72 8.01 -1.26 0.14 118.70 132.46 1r6h s GLU 14 Ca -0.08 -0.81 -0.06 0.00 0.01 0.00 0.00 54.97 54.03 1r6h s GLU 14 Cb -0.11 -3.15 -0.01 0.00 -4.31 0.00 0.00 34.13 26.55 1r6h s GLU 14 CO -0.07 -0.35 0.03 0.08 0.01 0.00 0.00 175.26 174.96 1r6h s VAL 15 N 1.44 3.84 -0.01 2.63 1.01 -0.34 -4.91 120.40 124.07 1r6h s VAL 15 Ca 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 1r6h s VAL 15 Cb -0.16 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 1r6h s VAL 15 CO -0.01 0.28 0.04 -0.94 0.00 0.00 0.00 175.10 174.47 1r6h s SER 16 N 1.53 0.01 0.15 3.32 1.04 -1.26 -0.06 113.70 118.43 1r6h s SER 16 Ca 0.05 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.45 1r6h s SER 16 Cb -0.15 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1r6h s SER 16 CO 0.01 -0.09 0.02 -0.72 0.98 0.00 0.00 173.24 173.43 1r6h s TYR 17 N -0.34 1.08 0.00 5.02 1.13 -1.12 -4.99 117.35 118.12 1r6h s TYR 17 Ca -0.04 -1.09 0.00 0.00 -1.41 0.00 0.00 57.07 54.54 1r6h s TYR 17 Cb -0.03 -0.62 0.00 0.00 -1.10 0.00 0.00 41.96 40.22 1r6h s TYR 17 CO -0.00 -0.31 0.00 0.36 -2.51 0.00 0.00 175.55 173.09 1r6h n LYS 18 N -0.18 0.00 0.00 -3.49 2.85 -1.26 -2.37 118.16 113.70 1r6h n LYS 18 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1r6h n LYS 18 Cb 0.63 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 1r6h n LYS 18 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1r6h n HIS 19 N 0.00 0.00 -1.45 5.58 -0.00 -1.26 -5.09 115.22 113.00 1r6h n HIS 19 Ca 0.00 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.89 1r6h n HIS 19 Cb 0.00 0.00 0.13 0.00 -0.12 0.00 0.00 29.99 30.00 1r6h n HIS 19 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1r6h s MET 20 N -1.55 1.29 0.11 1.57 0.23 -1.00 -4.84 119.30 115.10 1r6h s MET 20 Ca 0.00 0.47 -0.08 0.00 -1.03 0.00 0.00 55.69 55.05 1r6h s MET 20 Cb 0.00 -1.84 -0.01 0.00 -1.53 0.00 0.00 34.83 31.45 1r6h s MET 20 CO 0.00 -2.14 0.18 1.03 -2.03 0.00 0.00 175.02 172.07 1r6h s ARG 21 N -5.16 0.90 0.04 3.16 0.52 -1.21 -2.81 118.95 114.39 1r6h s ARG 21 Ca 0.63 -1.06 0.03 0.00 -0.52 0.00 0.00 55.73 54.81 1r6h s ARG 21 Cb -0.16 0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.62 1r6h s ARG 21 CO 0.55 -0.29 -0.09 -0.06 0.02 0.00 0.00 175.30 175.43 1r6h s PHE 22 N -3.90 0.74 -0.05 -0.53 0.40 0.92 -3.38 117.98 112.18 1r6h s PHE 22 Ca 0.09 -0.45 0.06 0.00 -0.60 0.00 0.00 56.93 56.04 1r6h s PHE 22 Cb 0.05 -0.44 -0.01 0.00 0.51 0.00 0.00 43.02 43.13 1r6h s PHE 22 CO -0.08 -0.05 -0.25 -0.51 0.70 0.00 0.00 175.22 175.03 1r6h s LEU 23 N -1.43 2.06 -0.30 -0.37 2.01 0.13 -1.20 118.68 119.58 1r6h s LEU 23 Ca -0.07 -0.50 0.01 0.00 0.01 0.00 0.00 54.13 53.58 1r6h s LEU 23 Cb -0.09 -1.35 0.07 0.00 0.01 0.00 0.00 46.19 44.83 1r6h s LEU 23 CO 0.01 0.25 -0.01 -0.63 1.01 0.00 0.00 176.35 176.97 1r6h s ILE 24 N -0.22 2.51 0.20 -0.59 -1.09 0.38 0.12 121.20 122.52 1r6h s ILE 24 Ca -0.02 -1.78 0.03 0.00 -2.23 0.00 0.00 60.65 56.65 1r6h s ILE 24 Cb -0.13 -2.58 -0.05 0.00 -1.58 0.00 0.00 42.46 38.12 1r6h s ILE 24 CO 0.03 -0.25 -0.01 0.42 -1.23 0.00 0.00 174.94 173.90 1r6h s THR 25 N 1.10 0.91 0.45 2.92 -4.23 0.83 -0.17 115.64 117.44 1r6h s THR 25 Ca -0.02 -2.02 -0.18 0.00 -1.18 0.00 0.00 61.69 58.30 1r6h s THR 25 Cb -0.20 -2.20 -0.09 0.00 1.34 0.00 0.00 72.50 71.35 1r6h s THR 25 CO -0.05 -0.43 0.92 -1.38 -0.54 0.00 0.00 174.62 173.14 1r6h s HIS 26 N -3.50 3.39 0.73 3.99 -3.43 -1.26 0.24 115.29 115.45 1r6h s HIS 26 Ca 0.25 1.45 -0.15 0.00 -0.80 0.00 0.00 55.06 55.82 1r6h s HIS 26 Cb 0.05 -2.75 0.04 0.00 -1.43 0.00 0.00 32.58 28.50 1r6h s HIS 26 CO 0.06 -0.18 1.20 0.54 -2.00 0.00 0.00 174.74 174.36 1r6h s ASN 27 N -2.63 4.19 0.35 7.38 2.20 -1.26 -4.84 114.94 120.33 1r6h s ASN 27 Ca 0.59 2.33 -0.27 0.00 -0.94 0.00 0.00 52.86 54.56 1r6h s ASN 27 Cb -0.10 -2.59 -0.12 0.00 -2.00 0.00 0.00 41.25 36.45 1r6h s ASN 27 CO 0.22 -2.27 1.22 -2.65 -2.94 0.00 0.00 177.10 170.68 1r6h n PRO 28 N -2.77 1.91 -2.95 3.55 -0.02 -1.26 -5.01 135.00 128.45 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 -2.23 0.04 0.00 -0.02 0.00 0.00 33.50 31.80 1r6h n PRO 28 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1r6h s THR 29 N -1.11 2.52 -0.88 3.45 -4.23 -1.26 -4.99 115.64 109.14 1r6h s THR 29 Ca 0.57 -0.93 0.23 0.00 -1.18 0.00 0.00 61.69 60.38 1r6h s THR 29 Cb -0.58 -2.59 -0.10 0.00 1.34 0.00 0.00 72.50 70.56 1r6h s THR 29 CO 0.61 0.00 1.14 -0.46 -0.54 0.00 0.00 174.62 175.37 1r6h n ASN 30 N -2.15 0.68 -0.05 3.99 0.23 -1.26 -4.31 115.26 112.40 1r6h n ASN 30 Ca 0.12 -0.46 -0.10 0.00 -0.53 0.00 0.00 54.58 53.61 1r6h n ASN 30 Cb 0.60 0.64 -0.15 0.00 -2.08 0.00 0.00 39.78 38.80 1r6h n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1r6h n ALA 31 N -1.60 1.47 -3.47 -2.53 0.00 -1.26 -4.79 120.51 108.33 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 0.36 -0.60 -0.12 0.00 0.00 0.00 0.00 19.45 19.09 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 0.20 -0.13 0.00 -4.23 -1.26 -4.98 115.64 102.67 1r6h s THR 32 Ca -0.08 -1.78 -0.22 0.00 -1.18 0.00 0.00 61.69 58.43 1r6h s THR 32 Cb 0.07 -1.16 -0.20 0.00 1.34 0.00 0.00 72.50 72.55 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 6.95 0.00 -0.58 4.79 -0.00 -1.87 -3.31 115.31 121.30 1r6h h LEU 33 Ca 0.06 -0.77 0.05 0.00 -0.00 0.00 0.00 57.88 57.23 1r6h h LEU 33 Cb 0.97 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.58 1r6h h LEU 33 CO 0.27 0.90 0.30 0.77 -0.00 0.00 0.00 178.44 180.69 1r6h h SER 34 N -1.00 0.44 -0.43 -0.43 4.64 -1.96 -1.80 113.55 113.01 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 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 1r6h h SER 34 CO -0.00 0.29 0.29 0.74 -0.87 0.00 0.00 176.83 177.28 1r6h h THR 35 N 0.57 0.96 -0.01 2.95 2.02 -1.98 -2.32 112.91 115.10 1r6h h THR 35 Ca 0.26 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 1r6h h THR 35 Cb 0.17 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1r6h h THR 35 CO -0.17 0.06 -0.19 0.15 0.37 0.00 0.00 175.52 175.74 1r6h h PHE 36 N 0.35 0.22 -0.95 3.16 3.04 -1.43 -2.68 116.94 118.66 1r6h h PHE 36 Ca 0.19 -0.11 0.10 0.00 3.98 0.00 0.00 57.97 62.13 1r6h h PHE 36 Cb 0.31 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 38.72 1r6h h PHE 36 CO -0.00 0.87 0.61 -0.84 -2.02 0.00 0.00 178.31 176.93 1r6h h ILE 37 N -0.49 0.97 0.14 1.41 3.07 -1.13 0.38 117.51 121.86 1r6h h ILE 37 Ca -0.02 -0.33 -0.01 0.00 1.55 0.00 0.00 64.86 66.05 1r6h h ILE 37 Cb 0.91 -0.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.39 1r6h h ILE 37 CO 0.04 0.18 -0.07 -0.08 -1.05 0.00 0.00 178.15 177.17 1r6h h GLU 38 N 0.96 -0.18 0.02 0.16 4.22 -1.48 -1.06 114.58 117.21 1r6h h GLU 38 Ca 0.44 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.90 1r6h h GLU 38 Cb 0.41 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1r6h h GLU 38 CO -0.20 0.10 -0.01 -0.44 -2.18 0.00 0.00 179.01 176.27 1r6h h ASP 39 N -0.46 -0.02 -0.71 1.04 5.19 -1.07 0.92 116.42 121.32 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 0.36 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.82 1r6h h ASP 39 CO 0.03 0.41 0.40 -0.07 -3.12 0.00 0.00 179.24 176.89 1r6h h LEU 40 N -0.46 0.58 -0.16 1.55 3.38 -0.35 -0.55 115.31 119.30 1r6h h LEU 40 Ca -0.00 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1r6h h LEU 40 Cb 0.44 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1r6h h LEU 40 CO 0.00 0.37 -0.63 0.50 0.09 0.00 0.00 178.44 178.78 1r6h h LYS 41 N 0.72 0.00 -0.70 1.13 3.64 -1.19 -3.29 116.57 116.87 1r6h h LYS 41 Ca 0.32 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.81 1r6h h LYS 41 Cb 0.22 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.96 1r6h h LYS 41 CO -0.19 0.63 0.30 0.87 -2.27 0.00 0.00 179.45 178.78 1r6h h LYS 42 N 0.00 0.48 -0.67 1.90 1.57 0.25 -1.15 116.57 118.95 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 1.41 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 1r6h h LYS 42 CO 0.08 0.31 0.22 -0.92 -0.57 0.00 0.00 179.45 178.58 1r6h h TYR 43 N 0.49 1.05 0.00 -1.35 5.03 -1.55 -3.48 116.97 117.16 1r6h h TYR 43 Ca 0.36 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.58 1r6h h TYR 43 Cb 0.47 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.44 1r6h h TYR 43 CO -0.15 0.83 0.00 0.41 -1.32 0.00 0.00 178.16 177.93 1r6h n GLY 44 N -0.86 -2.37 2.87 1.82 0.00 -0.44 -4.97 105.19 101.24 1r6h n GLY 44 Ca 0.06 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.85 1.26 0.00 4.61 0.00 -1.25 -4.44 121.76 120.09 1r6h s ALA 45 Ca 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 1r6h s ALA 45 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1r6h s ALA 45 CO 0.00 -0.60 0.02 2.41 0.00 0.00 0.00 175.76 177.58 1r6h n THR 46 N 4.96 0.00 -1.47 0.00 -1.04 0.98 -4.18 114.28 113.53 1r6h n THR 46 Ca -0.11 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.55 1r6h n THR 46 Cb 0.49 0.01 0.08 0.00 -1.82 0.00 0.00 70.33 69.10 1r6h n THR 46 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1r6h s THR 47 N -2.74 2.63 -0.01 12.58 -4.23 -1.25 -4.15 115.64 118.46 1r6h s THR 47 Ca 0.00 0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.83 1r6h s THR 47 Cb -0.00 -2.80 -0.00 0.00 1.34 0.00 0.00 72.50 71.04 1r6h s THR 47 CO 0.00 -0.18 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.13 1r6h s VAL 48 N -2.19 0.61 -0.33 2.29 1.01 -0.00 -2.59 120.40 119.20 1r6h s VAL 48 Ca 0.71 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 1r6h s VAL 48 Cb -0.25 -0.52 0.08 0.00 0.00 0.00 0.00 36.38 35.68 1r6h s VAL 48 CO 0.45 0.18 0.05 0.54 0.00 0.00 0.00 175.10 176.33 1r6h s VAL 49 N -0.09 2.86 -0.29 2.92 0.11 -0.30 0.38 120.40 125.98 1r6h s VAL 49 Ca 0.02 -1.77 -0.02 0.00 -2.93 0.00 0.00 61.98 57.27 1r6h s VAL 49 Cb -0.04 -2.82 0.04 0.00 -1.53 0.00 0.00 36.38 32.03 1r6h s VAL 49 CO -0.00 -0.35 -0.00 0.00 -3.33 0.00 0.00 175.10 171.41 1r6h s ARG 50 N 1.14 2.53 -0.71 1.54 1.04 -1.13 -2.30 118.95 121.07 1r6h s ARG 50 Ca 0.01 -1.20 -0.09 0.00 -1.04 0.00 0.00 55.73 53.41 1r6h s ARG 50 Cb -0.21 -3.18 0.18 0.00 -2.04 0.00 0.00 34.95 29.71 1r6h s ARG 50 CO -0.04 -0.58 0.59 0.08 -0.04 0.00 0.00 175.30 175.31 1r6h s VAL 51 N 1.28 4.72 0.29 4.99 1.01 -1.26 -2.10 120.40 129.33 1r6h s VAL 51 Ca -0.04 -2.58 -0.18 0.00 0.00 0.00 0.00 61.98 59.17 1r6h s VAL 51 Cb -0.19 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.22 1r6h s VAL 51 CO -0.01 -0.94 0.67 0.00 0.00 0.00 0.00 175.10 174.82 1r6h s GLU 53 N -3.72 4.27 -0.05 0.00 0.41 -1.26 -4.19 118.70 114.16 1r6h s GLU 53 Ca 0.14 2.22 -0.30 0.00 -0.41 0.00 0.00 54.97 56.63 1r6h s GLU 53 Cb -0.05 -3.19 -0.05 0.00 -1.78 0.00 0.00 34.13 29.06 1r6h s GLU 53 CO 0.08 -0.51 1.50 0.08 -0.49 0.00 0.00 175.26 175.93 1r6h s VAL 54 N 1.01 3.73 0.00 2.63 1.01 -1.26 -4.85 120.40 122.68 1r6h s VAL 54 Ca 0.66 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1r6h s VAL 54 Cb -0.40 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1r6h s VAL 54 CO 0.32 -0.06 0.00 0.35 0.00 0.00 0.00 175.10 175.71 1r6h n THR 55 N 5.18 0.00 -3.66 3.92 -2.24 -1.26 -4.95 114.28 111.28 1r6h n THR 55 Ca 0.15 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.65 1r6h n THR 55 Cb 0.43 -1.23 -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 2.11 0.08 4.78 2.02 -1.26 -4.96 117.35 118.13 1r6h s TYR 56 Ca 0.00 -2.62 -0.07 0.00 -0.37 0.00 0.00 57.07 54.01 1r6h s TYR 56 Cb 0.00 -1.79 -0.24 0.00 -0.40 0.00 0.00 41.96 39.53 1r6h s TYR 56 CO 0.00 -0.73 1.17 0.22 -1.57 0.00 0.00 175.55 174.64 1r6h h ASP 57 N 6.05 0.55 0.03 2.29 1.82 -1.99 -3.36 116.42 121.81 1r6h h ASP 57 Ca 0.12 -0.54 -0.05 0.00 -0.39 0.00 0.00 57.03 56.17 1r6h h ASP 57 Cb 0.88 -0.18 0.01 0.00 0.68 0.00 0.00 39.33 40.72 1r6h h ASP 57 CO 0.51 1.39 -0.21 0.11 -1.61 0.00 0.00 179.24 179.42 1r6h h LYS 58 N 0.15 0.09 -0.78 0.28 1.57 -2.00 -3.30 116.57 112.58 1r6h h LYS 58 Ca -0.14 -0.14 0.16 0.00 -1.87 0.00 0.00 60.65 58.66 1r6h h LYS 58 Cb 1.88 0.05 -0.15 0.00 0.08 0.00 0.00 32.23 34.09 1r6h h LYS 58 CO 0.20 1.03 -0.18 1.15 -0.57 0.00 0.00 179.45 181.08 1r6h h THR 59 N -0.78 0.23 -0.39 -0.16 2.02 -1.98 -0.11 112.91 111.74 1r6h h THR 59 Ca -0.04 -0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 1r6h h THR 59 Cb 1.12 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1r6h h THR 59 CO 0.04 0.00 -0.16 -0.65 0.37 0.00 0.00 175.52 175.12 1r6h h PRO 60 N 0.00 0.80 -0.28 6.66 0.11 -1.73 -0.58 132.00 136.98 1r6h h PRO 60 Ca 0.38 -0.34 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 1r6h h PRO 60 Cb 0.58 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1r6h h PRO 60 CO -0.79 0.96 0.00 -0.07 -0.21 0.00 0.00 178.00 177.89 1r6h h LEU 61 N 0.61 0.49 -0.02 2.35 -0.00 -1.41 0.29 115.31 117.62 1r6h h LEU 61 Ca 0.09 -0.31 -0.23 0.00 -0.00 0.00 0.00 57.88 57.43 1r6h h LEU 61 Cb 0.70 -0.13 0.02 0.00 -0.00 0.00 0.00 40.66 41.25 1r6h h LEU 61 CO 0.05 0.68 -0.91 -0.33 -0.00 0.00 0.00 178.44 177.93 1r6h h GLU 62 N 0.28 0.64 0.00 1.13 5.08 -1.10 -0.05 114.58 120.56 1r6h h GLU 62 Ca 0.08 -0.67 -0.16 0.00 -1.00 0.00 0.00 59.36 57.61 1r6h h GLU 62 Cb 0.43 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1r6h h GLU 62 CO 0.01 1.27 -0.82 0.87 -1.00 0.00 0.00 179.01 179.34 1r6h h LYS 63 N 0.29 0.00 0.00 2.33 1.57 -1.15 -3.32 116.57 116.29 1r6h h LYS 63 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1r6h h LYS 63 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.88 1r6h h LYS 63 CO 0.18 0.72 -1.09 -3.47 -0.57 0.00 0.00 179.45 175.21 1r6h n ASP 64 N -3.26 0.84 -2.41 0.86 -0.08 0.10 -4.88 116.55 107.72 1r6h n ASP 64 Ca -0.00 -0.83 -0.04 0.00 -1.51 0.00 0.00 54.79 52.41 1r6h n ASP 64 Cb 0.85 1.14 -0.00 0.00 2.34 0.00 0.00 41.12 45.44 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 1.45 -0.46 3.44 0.27 0.00 -0.03 -4.90 105.19 104.96 1r6h n GLY 65 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.14 2.61 0.14 -0.61 -4.36 -1.26 -5.05 121.20 110.54 1r6h s ILE 66 Ca 0.00 -1.47 -0.30 0.00 -0.26 0.00 0.00 60.65 58.62 1r6h s ILE 66 Cb 0.00 -2.14 -0.07 0.00 1.25 0.00 0.00 42.46 41.50 1r6h s ILE 66 CO 0.00 0.19 1.03 0.42 0.24 0.00 0.00 174.94 176.82 1r6h s THR 67 N -1.03 4.18 0.04 8.37 -4.23 -1.26 -4.75 115.64 116.97 1r6h s THR 67 Ca 0.15 1.84 -0.06 0.00 -1.18 0.00 0.00 61.69 62.45 1r6h s THR 67 Cb -0.10 -4.18 -0.01 0.00 1.34 0.00 0.00 72.50 69.55 1r6h s THR 67 CO 0.07 0.30 0.10 0.54 -0.54 0.00 0.00 174.62 175.09 1r6h s VAL 68 N -0.11 0.13 -0.15 2.29 0.11 -1.26 -0.82 120.40 120.59 1r6h s VAL 68 Ca 0.48 -1.09 -0.06 0.00 -2.93 0.00 0.00 61.98 58.38 1r6h s VAL 68 Cb -0.26 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1r6h s VAL 68 CO 0.32 -0.60 0.07 -0.69 -3.33 0.00 0.00 175.10 170.87 1r6h s VAL 69 N -2.63 4.86 -0.45 2.04 1.01 0.16 -4.88 120.40 120.52 1r6h s VAL 69 Ca -0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 1r6h s VAL 69 Cb -0.01 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.28 1r6h s VAL 69 CO -0.05 0.52 0.35 1.51 0.00 0.00 0.00 175.10 177.44 1r6h s ASP 70 N -0.19 6.07 -0.38 3.32 -4.77 -1.26 -2.82 116.67 116.64 1r6h s ASP 70 Ca 0.08 -1.21 -0.04 0.00 -3.30 0.00 0.00 52.55 48.08 1r6h s ASP 70 Cb -0.12 -2.15 0.08 0.00 -1.09 0.00 0.00 42.92 39.64 1r6h s ASP 70 CO 0.01 -0.57 0.15 0.26 0.70 0.00 0.00 175.17 175.73 1r6h s TRP 71 N 1.63 3.43 0.33 2.11 0.52 -0.89 -5.05 118.94 121.02 1r6h s TRP 71 Ca 0.04 -2.02 0.07 0.00 0.02 0.00 0.00 56.10 54.21 1r6h s TRP 71 Cb -0.22 -2.81 -0.02 0.00 -1.15 0.00 0.00 33.47 29.27 1r6h s TRP 71 CO 0.07 -0.88 0.36 -1.25 0.02 0.00 0.00 176.95 175.27 1r6h s PRO 72 N 1.25 2.88 -0.12 4.98 0.04 -1.26 -0.97 135.00 141.80 1r6h s PRO 72 Ca 0.03 -1.18 0.01 0.00 0.04 0.00 0.00 61.00 59.90 1r6h s PRO 72 Cb -0.22 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.73 1r6h s PRO 72 CO -0.02 0.09 -0.13 0.12 0.04 0.00 0.00 177.00 177.10 1r6h s PHE 73 N -2.25 1.91 0.00 0.56 2.19 -1.26 -4.75 117.98 114.37 1r6h s PHE 73 Ca 0.42 -0.97 0.00 0.00 0.33 0.00 0.00 56.93 56.71 1r6h s PHE 73 Cb -0.07 -1.42 0.00 0.00 -1.31 0.00 0.00 43.02 40.21 1r6h s PHE 73 CO 0.28 -0.55 0.00 -0.40 1.83 0.00 0.00 175.22 176.39 1r6h n ASP 74 N 4.56 0.00 0.32 6.13 5.75 -1.26 -4.96 116.55 127.09 1r6h n ASP 74 Ca -0.17 -0.73 0.20 0.00 -0.01 0.00 0.00 54.79 54.08 1r6h n ASP 74 Cb 0.51 0.00 1.06 0.00 -1.03 0.00 0.00 41.12 41.66 1r6h n ASP 74 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1r6h h ASP 75 N 0.00 0.00 -0.64 -1.12 3.32 -2.06 -0.53 116.42 115.39 1r6h h ASP 75 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1r6h h ASP 75 Cb 0.00 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.39 1r6h h ASP 75 CO 0.00 0.00 0.25 0.61 -1.72 0.00 0.00 179.24 178.38 1r6h n GLY 76 N -1.16 4.37 3.18 2.75 0.00 -1.26 -4.88 105.19 108.19 1r6h n GLY 76 Ca -0.02 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.16 3.18 -0.65 4.61 0.00 -0.21 -5.04 121.76 120.50 1r6h s ALA 77 Ca 0.51 -2.32 -0.30 0.00 0.00 0.00 0.00 51.96 49.85 1r6h s ALA 77 Cb 0.43 -2.48 -0.13 0.00 0.00 0.00 0.00 23.12 20.94 1r6h s ALA 77 CO 0.08 -1.70 2.47 -2.30 0.00 0.00 0.00 175.76 174.31 1r6h n PRO 78 N 4.74 0.66 -0.27 0.00 -0.02 -1.26 -4.80 135.00 134.04 1r6h n PRO 78 Ca -0.07 0.06 0.04 0.00 -2.02 0.00 0.00 63.50 61.51 1r6h n PRO 78 Cb 0.42 -2.52 0.17 0.00 -0.02 0.00 0.00 33.50 31.55 1r6h n PRO 78 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1r6h h PRO 79 N 15.29 0.60 -6.42 0.52 0.13 -1.96 -3.42 132.00 136.75 1r6h h PRO 79 Ca -0.18 -0.04 -0.59 0.00 -0.87 0.00 0.00 66.00 64.33 1r6h h PRO 79 Cb 1.30 -0.14 0.16 0.00 0.13 0.00 0.00 31.00 32.45 1r6h h PRO 79 CO 1.21 0.40 -0.43 -0.35 -0.23 0.00 0.00 178.00 178.60 1r6h n PRO 80 N -4.86 0.53 0.33 1.56 -0.04 -1.26 -4.82 135.00 126.43 1r6h n PRO 80 Ca 0.14 0.20 0.20 0.00 -0.04 0.00 0.00 63.50 63.99 1r6h n PRO 80 Cb 0.34 -1.60 1.05 0.00 -0.04 0.00 0.00 33.50 33.25 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 0.45 0.00 0.17 0.55 0.00 -1.99 -2.69 103.07 99.55 1r6h h GLY 81 Ca -0.44 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.14 1r6h h GLY 81 CO 0.48 0.00 0.64 1.70 0.00 0.00 0.00 176.54 179.37 1r6h h LYS 82 N 0.00 0.15 -0.49 4.80 3.11 -1.90 0.43 116.57 122.67 1r6h h LYS 82 Ca 0.00 -0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.90 1r6h h LYS 82 Cb 0.25 -0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.39 1r6h h LYS 82 CO 0.00 0.10 0.16 -0.39 -2.81 0.00 0.00 179.45 176.50 1r6h h VAL 83 N 0.15 0.81 -0.77 2.00 -1.51 -1.73 0.11 116.25 115.31 1r6h h VAL 83 Ca 0.46 -0.11 0.09 0.00 -1.23 0.00 0.00 66.70 65.91 1r6h h VAL 83 Cb 1.57 0.46 -0.07 0.00 -2.13 0.00 0.00 31.29 31.12 1r6h h VAL 83 CO -0.08 0.06 0.42 0.58 -1.23 0.00 0.00 177.57 177.32 1r6h h VAL 84 N 0.32 0.88 -0.45 7.19 2.07 -0.38 0.46 116.25 126.34 1r6h h VAL 84 Ca 0.24 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.62 1r6h h VAL 84 Cb 0.26 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1r6h h VAL 84 CO -0.26 0.13 0.32 -0.33 0.02 0.00 0.00 177.57 177.45 1r6h h GLU 85 N 0.71 0.14 0.04 1.57 5.08 -0.50 0.31 114.58 121.93 1r6h h GLU 85 Ca 0.37 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1r6h h GLU 85 Cb 0.36 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1r6h h GLU 85 CO -0.25 0.09 -0.02 0.22 -1.00 0.00 0.00 179.01 178.05 1r6h h ASP 86 N 0.14 -0.04 0.56 1.42 1.82 0.11 -1.91 116.42 118.52 1r6h h ASP 86 Ca 0.21 -0.33 -0.06 0.00 -0.39 0.00 0.00 57.03 56.46 1r6h h ASP 86 Cb 0.66 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.67 1r6h h ASP 86 CO -0.03 0.31 -0.30 -0.25 -1.61 0.00 0.00 179.24 177.36 1r6h h TRP 87 N -0.40 0.00 0.09 0.28 2.91 -0.91 -2.60 115.95 115.33 1r6h h TRP 87 Ca -0.00 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.01 1r6h h TRP 87 Cb 0.37 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.02 1r6h h TRP 87 CO 0.04 0.30 -0.04 -0.07 -1.03 0.00 0.00 178.44 177.64 1r6h h LEU 88 N 0.00 -0.11 -0.87 0.65 3.38 -0.20 -0.69 115.31 117.47 1r6h h LEU 88 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1r6h h LEU 88 Cb 0.66 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1r6h h LEU 88 CO 0.04 -0.01 0.55 0.28 0.09 0.00 0.00 178.44 179.38 1r6h h SER 89 N -0.19 1.03 -0.06 -0.43 0.02 -1.17 0.43 113.55 113.17 1r6h h SER 89 Ca -0.01 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1r6h h SER 89 Cb 0.16 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1r6h h SER 89 CO 0.02 0.77 -0.09 0.25 -1.14 0.00 0.00 176.83 176.64 1r6h h LEU 90 N 1.19 -0.28 -0.53 5.07 7.12 -1.13 0.30 115.31 127.04 1r6h h LEU 90 Ca 0.31 0.05 -0.16 0.00 0.13 0.00 0.00 57.88 58.22 1r6h h LEU 90 Cb -0.08 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.17 1r6h h LEU 90 CO -0.06 -0.13 -0.50 1.62 -0.13 0.00 0.00 178.44 179.24 1r6h h VAL 91 N -0.13 1.31 -0.60 1.05 3.04 -0.79 -2.61 116.25 117.52 1r6h h VAL 91 Ca 0.06 -1.72 -0.06 0.00 -1.01 0.00 0.00 66.70 63.97 1r6h h VAL 91 Cb 0.21 1.68 -0.02 0.00 -2.01 0.00 0.00 31.29 31.14 1r6h h VAL 91 CO -0.14 0.54 0.12 0.50 -1.01 0.00 0.00 177.57 177.58 1r6h h LYS 92 N 0.48 0.98 -0.15 4.17 3.11 0.21 0.39 116.57 125.76 1r6h h LYS 92 Ca 0.02 -0.25 -0.01 0.00 -2.81 0.00 0.00 60.65 57.60 1r6h h LYS 92 Cb 1.04 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.14 1r6h h LYS 92 CO 0.10 0.91 0.04 0.00 -2.81 0.00 0.00 179.45 177.69 1r6h h ALA 93 N 1.03 0.19 0.00 5.00 0.00 -0.37 0.57 119.26 125.68 1r6h h ALA 93 Ca 0.19 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1r6h h ALA 93 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1r6h h ALA 93 CO 0.01 -0.19 -0.42 0.87 0.00 0.00 0.00 179.25 179.52 1r6h h LYS 94 N 0.05 0.00 0.09 0.00 1.79 -1.37 -2.26 116.57 114.87 1r6h h LYS 94 Ca 0.05 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.24 1r6h h LYS 94 Cb 0.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1r6h h LYS 94 CO -0.00 0.42 -1.32 0.74 -1.08 0.00 0.00 179.45 178.21 1r6h h PHE 95 N 0.00 0.35 -0.22 -1.35 -1.00 0.01 -2.58 116.94 112.15 1r6h h PHE 95 Ca -0.00 -0.26 -0.20 0.00 2.81 0.00 0.00 57.97 60.32 1r6h h PHE 95 Cb 0.94 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.49 1r6h h PHE 95 CO 0.00 1.24 -0.65 0.00 -1.61 0.00 0.00 178.31 177.29 1r6h h GLU 97 N 0.59 0.21 -6.07 0.00 4.57 -1.52 -3.45 114.58 108.92 1r6h h GLU 97 Ca -0.02 -0.24 -0.66 0.00 -1.18 0.00 0.00 59.36 57.27 1r6h h GLU 97 Cb 1.26 0.07 -0.31 0.00 -0.16 0.00 0.00 28.75 29.61 1r6h h GLU 97 CO 0.14 0.97 -0.87 0.00 -1.18 0.00 0.00 179.01 178.06 1r6h s ALA 98 N -3.20 2.00 1.00 2.92 0.00 -0.97 -5.10 121.76 118.40 1r6h s ALA 98 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1r6h s ALA 98 Cb 0.10 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1r6h s ALA 98 CO 0.83 0.43 0.00 -0.35 0.00 0.00 0.00 175.76 176.67 1r6h n PRO 99 N 2.78 -0.65 -1.52 0.00 -0.04 -1.26 -4.39 135.00 129.92 1r6h n PRO 99 Ca -0.17 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 1r6h n PRO 99 Cb 0.52 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.84 1r6h n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r6h n GLY 100 N 1.40 -0.31 0.00 0.55 0.00 -1.26 -4.87 105.19 100.70 1r6h n GLY 100 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 11.46 0.11 -4.17 1.61 2.88 -1.26 -4.69 113.62 119.55 1r6h n SER 101 Ca 0.58 -0.07 -0.34 0.00 -1.33 0.00 0.00 58.87 57.71 1r6h n SER 101 Cb 0.22 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.53 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 1.27 4.32 -0.02 0.00 1.01 -1.22 -0.01 120.40 125.75 1r6h s VAL 103 Ca -0.02 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.09 1r6h s VAL 103 Cb -0.18 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1r6h s VAL 103 CO -0.04 0.07 -0.22 0.00 0.00 0.00 0.00 175.10 174.91 1r6h s ALA 104 N -1.45 1.82 0.15 5.51 0.00 -1.07 0.20 121.76 126.92 1r6h s ALA 104 Ca 0.28 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1r6h s ALA 104 Cb -0.11 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1r6h s ALA 104 CO 0.21 0.44 0.08 0.08 0.00 0.00 0.00 175.76 176.57 1r6h s VAL 105 N -0.50 0.07 0.72 0.00 1.01 0.33 -1.15 120.40 120.88 1r6h s VAL 105 Ca 0.08 -1.93 -0.14 0.00 0.00 0.00 0.00 61.98 59.99 1r6h s VAL 105 Cb -0.09 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.14 1r6h s VAL 105 CO -0.01 -0.32 1.14 -2.28 0.00 0.00 0.00 175.10 173.63 1r6h s HIS 106 N -4.08 2.36 -0.44 5.22 5.65 -0.97 -0.12 115.29 122.90 1r6h s HIS 106 Ca 0.29 1.59 -0.28 0.00 0.25 0.00 0.00 55.06 56.91 1r6h s HIS 106 Cb 0.07 -3.25 -0.02 0.00 -1.18 0.00 0.00 32.58 28.20 1r6h s HIS 106 CO 0.05 -2.06 1.85 0.00 -0.65 0.00 0.00 174.74 173.93 1r6h n VAL 108 N 7.37 0.00 0.04 0.00 0.24 -1.26 -3.80 118.33 120.92 1r6h n VAL 108 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 1r6h n VAL 108 Cb 0.49 -0.60 0.02 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 -0.99 1.11 -3.00 2.33 0.00 -1.26 -4.07 120.51 114.63 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 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.34 4.31 3.18 0.00 0.00 -1.25 -5.02 105.19 105.07 1r6h n GLY 110 Ca 0.00 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 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 2.07 0.00 0.99 1.43 -1.26 -3.97 118.68 117.94 1r6h s LEU 111 Ca 0.00 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1r6h s LEU 111 Cb 0.00 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1r6h s LEU 111 CO 0.00 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.30 1r6h n GLY 112 N 3.84 2.89 0.00 -3.19 0.00 -1.26 -4.98 105.19 102.49 1r6h n GLY 112 Ca -0.20 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 2.29 -0.22 1.61 3.00 -1.26 -4.69 116.66 117.39 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 -0.95 0.14 0.00 0.00 0.00 0.00 32.46 31.65 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 -0.48 7.54 0.00 -1.90 -2.66 119.26 122.56 1r6h h ALA 114 Ca 0.00 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1r6h h ALA 114 Cb 0.50 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1r6h h ALA 114 CO 0.00 -0.31 0.01 -1.00 0.00 0.00 0.00 179.25 177.96 1r6h h PRO 115 N 0.27 0.13 -0.31 0.00 0.13 -1.87 0.14 132.00 130.49 1r6h h PRO 115 Ca 0.35 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.47 1r6h h PRO 115 Cb 0.55 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1r6h h PRO 115 CO -0.44 0.08 0.18 0.28 -0.23 0.00 0.00 178.00 177.88 1r6h h VAL 116 N 0.13 1.11 -0.99 1.56 2.07 -1.82 -2.60 116.25 115.71 1r6h h VAL 116 Ca 0.24 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1r6h h VAL 116 Cb 0.36 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1r6h h VAL 116 CO -0.39 0.11 0.65 -0.07 0.02 0.00 0.00 177.57 177.89 1r6h h LEU 117 N 0.39 1.11 0.57 2.57 3.38 -1.08 -1.35 115.31 120.91 1r6h h LEU 117 Ca 0.11 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1r6h h LEU 117 Cb 0.02 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.51 1r6h h LEU 117 CO -0.02 0.78 -0.28 0.58 0.09 0.00 0.00 178.44 179.60 1r6h h VAL 118 N 1.30 0.43 -0.37 1.22 2.07 -0.40 -0.88 116.25 119.62 1r6h h VAL 118 Ca 0.38 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.93 1r6h h VAL 118 Cb -0.08 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1r6h h VAL 118 CO -0.10 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.66 1r6h h ALA 119 N -0.34 0.45 -0.56 1.67 0.00 -1.36 -0.50 119.26 118.63 1r6h h ALA 119 Ca -0.08 0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.01 1r6h h ALA 119 Cb 0.59 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1r6h h ALA 119 CO 0.13 -0.21 0.40 -0.07 0.00 0.00 0.00 179.25 179.50 1r6h h LEU 120 N 0.35 0.02 -0.09 0.00 -0.00 -1.10 -0.36 115.31 114.12 1r6h h LEU 120 Ca 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.00 1r6h h LEU 120 Cb 0.09 -0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1r6h h LEU 120 CO -0.13 0.01 -0.11 0.00 -0.00 0.00 0.00 178.44 178.21 1r6h h ALA 121 N 1.72 0.13 0.00 1.53 0.00 0.37 -2.81 119.26 120.21 1r6h h ALA 121 Ca 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1r6h h ALA 121 Cb 1.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1r6h h ALA 121 CO -0.01 -0.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.16 1r6h h LEU 122 N -0.20 0.00 -1.91 0.00 4.07 -0.60 -2.53 115.31 114.14 1r6h h LEU 122 Ca 0.01 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.06 1r6h h LEU 122 Cb 0.65 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 1r6h h LEU 122 CO 0.03 0.00 0.25 0.40 -1.08 0.00 0.00 178.44 178.04 1r6h h ILE 123 N 0.00 0.87 0.00 1.22 2.04 -1.00 0.22 117.51 120.85 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 0.14 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 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 0.11 0.00 -0.27 2.37 4.11 -1.61 -3.12 114.58 116.17 1r6h h GLU 124 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1r6h h GLU 124 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1r6h h GLU 124 CO -0.02 0.00 0.00 0.43 0.07 0.00 0.00 179.01 179.49 1r6h n SER 125 N -2.55 1.16 0.00 3.06 7.64 0.76 -4.99 113.62 118.69 1r6h n SER 125 Ca 0.03 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1r6h n SER 125 Cb 0.33 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1r6h n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r6h n GLY 126 N 0.74 1.45 3.57 0.23 0.00 -1.18 -4.94 105.19 105.07 1r6h n GLY 126 Ca 0.07 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 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 0.46 0.04 1.61 -0.00 -1.26 -4.72 117.12 113.25 1r6h n MET 127 Ca 0.00 -1.87 -0.02 0.00 -0.00 0.00 0.00 57.70 55.81 1r6h n MET 127 Cb 0.00 -3.85 -0.01 0.00 -0.00 0.00 0.00 33.22 29.37 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 11.13 -0.11 -0.12 3.17 -0.00 -1.81 -1.61 116.57 127.22 1r6h h LYS 128 Ca 0.07 0.01 -0.08 0.00 -0.00 0.00 0.00 60.65 60.64 1r6h h LYS 128 Cb 0.97 0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 33.21 1r6h h LYS 128 CO 1.10 -0.07 -0.28 -0.92 -0.00 0.00 0.00 179.45 179.27 1r6h h TYR 129 N -0.25 0.24 0.08 0.07 3.20 -1.90 0.31 116.97 118.71 1r6h h TYR 129 Ca -0.01 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1r6h h TYR 129 Cb 0.08 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1r6h h TYR 129 CO 0.06 0.49 -0.04 0.93 -1.64 0.00 0.00 178.16 177.96 1r6h h GLU 130 N 0.19 -0.10 -0.26 1.82 3.07 -1.94 -2.47 114.58 114.88 1r6h h GLU 130 Ca 0.03 0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.76 1r6h h GLU 130 Cb 0.61 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1r6h h GLU 130 CO 0.04 0.43 -0.38 0.22 -1.40 0.00 0.00 179.01 177.92 1r6h h ASP 131 N -0.73 0.63 0.03 1.42 3.58 -1.25 0.16 116.42 120.26 1r6h h ASP 131 Ca -0.01 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 1r6h h ASP 131 Cb 0.58 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1r6h h ASP 131 CO 0.02 0.95 -0.01 0.00 -2.88 0.00 0.00 179.24 177.32 1r6h h ALA 132 N 1.08 -0.03 -0.08 -0.78 0.00 -0.47 0.84 119.26 119.83 1r6h h ALA 132 Ca 0.05 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1r6h h ALA 132 Cb 0.88 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1r6h h ALA 132 CO 0.08 -0.49 -0.84 0.82 0.00 0.00 0.00 179.25 178.82 1r6h h ILE 133 N -0.10 1.33 -0.00 0.00 1.08 -1.42 -1.76 117.51 116.64 1r6h h ILE 133 Ca -0.00 -2.16 -0.01 0.00 -0.39 0.00 0.00 64.86 62.30 1r6h h ILE 133 Cb 0.09 2.17 0.00 0.00 -3.07 0.00 0.00 36.82 36.01 1r6h h ILE 133 CO 0.01 0.66 -0.02 -0.61 -0.69 0.00 0.00 178.15 177.50 1r6h h GLN 134 N 0.38 0.02 -0.18 2.37 4.15 -0.58 -1.01 115.11 120.25 1r6h h GLN 134 Ca -0.06 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.20 1r6h h GLN 134 Cb 1.46 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.14 1r6h h GLN 134 CO 0.16 0.72 -0.46 0.35 -1.93 0.00 0.00 178.83 177.67 1r6h h PHE 135 N -0.67 0.57 0.00 3.99 3.57 0.60 -2.54 116.94 122.46 1r6h h PHE 135 Ca -0.00 -0.18 -0.12 0.00 3.53 0.00 0.00 57.97 61.21 1r6h h PHE 135 Cb 0.73 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1r6h h PHE 135 CO 0.17 0.84 -0.56 0.97 -2.23 0.00 0.00 178.31 177.51 1r6h h ILE 136 N 0.38 1.19 -0.10 1.41 2.10 -1.38 -2.88 117.51 118.22 1r6h h ILE 136 Ca 0.02 -2.07 -0.02 0.00 1.08 0.00 0.00 64.86 63.88 1r6h h ILE 136 Cb 0.95 2.18 -0.00 0.00 -1.09 0.00 0.00 36.82 38.86 1r6h h ILE 136 CO 0.08 0.55 -0.02 0.03 -1.08 0.00 0.00 178.15 177.71 1r6h h ARG 137 N 0.00 0.19 -0.49 2.19 3.08 -0.90 -3.17 114.38 115.28 1r6h h ARG 137 Ca -0.01 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.98 1r6h h ARG 137 Cb 1.14 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 1r6h h ARG 137 CO 0.07 0.49 0.32 1.96 -1.07 0.00 0.00 179.97 181.74 1r6h h GLN 138 N -0.13 0.63 -6.80 0.04 1.08 -1.47 -3.42 115.11 105.04 1r6h h GLN 138 Ca 0.03 -0.04 -0.49 0.00 -1.45 0.00 0.00 58.65 56.70 1r6h h GLN 138 Cb 0.42 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1r6h h GLN 138 CO 0.01 0.42 0.12 0.15 -0.95 0.00 0.00 178.83 178.58 1r6h s LYS 139 N -6.15 3.92 -0.22 1.46 -0.14 -1.09 -5.01 119.74 112.51 1r6h s LYS 139 Ca -0.13 0.62 -0.29 0.00 -1.36 0.00 0.00 55.97 54.81 1r6h s LYS 139 Cb 0.12 -2.39 -0.02 0.00 -1.68 0.00 0.00 37.83 33.86 1r6h s LYS 139 CO 0.74 0.06 1.41 0.50 -0.76 0.00 0.00 175.35 177.29 1r6h s ARG 140 N -3.37 3.99 0.32 1.68 3.00 -1.26 -4.78 118.95 118.54 1r6h s ARG 140 Ca 0.53 1.56 0.09 0.00 -1.00 0.00 0.00 55.73 56.91 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 -1.03 0.01 -0.98 0.00 0.00 0.00 175.30 173.53 1r6h s ARG 141 N 4.11 2.13 0.00 5.12 3.03 -1.26 -4.20 118.95 127.89 1r6h s ARG 141 Ca 0.61 -1.66 0.00 0.00 2.03 0.00 0.00 55.73 56.72 1r6h s ARG 141 Cb -0.22 -2.00 0.00 0.00 -1.03 0.00 0.00 34.95 31.71 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 -0.95 -3.26 3.47 3.88 0.00 -1.25 -4.83 105.19 102.25 1r6h n GLY 142 Ca -0.04 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.01 3.05 -0.46 4.61 0.00 -1.26 -4.95 121.76 120.73 1r6h s ALA 143 Ca 0.00 -1.78 -0.23 0.00 0.00 0.00 0.00 51.96 49.94 1r6h s ALA 143 Cb 0.00 -3.95 0.03 0.00 0.00 0.00 0.00 23.12 19.20 1r6h s ALA 143 CO 0.00 -2.89 0.81 0.96 0.00 0.00 0.00 175.76 174.64 1r6h s ILE 144 N 4.36 4.61 0.00 0.00 -0.00 -1.26 -4.91 121.20 124.00 1r6h s ILE 144 Ca 0.25 0.41 0.00 0.00 -0.00 0.00 0.00 60.65 61.31 1r6h s ILE 144 Cb -0.15 -4.36 0.00 0.00 -0.00 0.00 0.00 42.46 37.96 1r6h s ILE 144 CO 0.10 -0.78 0.00 0.59 -0.00 0.00 0.00 174.94 174.86 1r6h n ASN 145 N 6.83 0.00 -0.08 4.36 4.13 -1.26 -4.89 115.26 124.34 1r6h n ASN 145 Ca 0.02 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.20 1r6h n ASN 145 Cb 0.48 -0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.63 1r6h n ASN 145 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1r6h n SER 146 N -1.66 1.84 0.11 6.41 2.88 -1.26 -4.56 113.62 117.38 1r6h n SER 146 Ca 0.00 0.32 -0.13 0.00 -1.33 0.00 0.00 58.87 57.74 1r6h n SER 146 Cb 0.00 -0.73 -0.06 0.00 -0.75 0.00 0.00 64.21 62.67 1r6h n SER 146 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1r6h h LYS 147 N -0.95 -0.31 -0.01 -1.46 3.11 -1.96 -0.07 116.57 114.92 1r6h h LYS 147 Ca 0.00 0.02 0.02 0.00 -2.81 0.00 0.00 60.65 57.88 1r6h h LYS 147 Cb 0.94 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 32.21 1r6h h LYS 147 CO 0.00 -0.21 -0.12 0.37 -2.81 0.00 0.00 179.45 176.69 1r6h h GLN 148 N -0.32 -0.19 -0.13 1.90 -0.00 -1.93 0.71 115.11 115.16 1r6h h GLN 148 Ca 0.01 0.01 -0.17 0.00 -0.00 0.00 0.00 58.65 58.51 1r6h h GLN 148 Cb 0.32 0.04 0.01 0.00 0.00 0.00 0.00 27.48 27.85 1r6h h GLN 148 CO -0.06 -0.12 -0.57 -0.07 0.00 0.00 0.00 178.83 178.00 1r6h h LEU 149 N -0.19 0.72 -0.24 -2.39 -0.00 -1.80 -2.56 115.31 108.84 1r6h h LEU 149 Ca 0.05 -0.63 -0.18 0.00 -0.00 0.00 0.00 57.88 57.11 1r6h h LEU 149 Cb 0.25 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1r6h h LEU 149 CO -0.13 1.23 -0.55 0.74 -0.00 0.00 0.00 178.44 179.73 1r6h h THR 150 N 0.25 1.29 0.02 0.22 2.02 -0.97 -1.79 112.91 113.95 1r6h h THR 150 Ca -0.04 -1.75 -0.00 0.00 0.77 0.00 0.00 66.41 65.39 1r6h h THR 150 Cb 1.21 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1r6h h THR 150 CO 0.12 0.56 -0.01 0.22 0.37 0.00 0.00 175.52 176.78 1r6h h TYR 151 N 0.56 -0.03 -0.22 3.16 3.20 0.36 -2.32 116.97 121.68 1r6h h TYR 151 Ca -0.00 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1r6h h TYR 151 Cb 1.17 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 1r6h h TYR 151 CO 0.08 0.16 -0.28 1.25 -1.64 0.00 0.00 178.16 177.73 1r6h h LEU 152 N -0.22 0.43 -0.61 2.82 6.46 -1.53 -1.16 115.31 121.49 1r6h h LEU 152 Ca -0.00 -0.15 0.07 0.00 -0.12 0.00 0.00 57.88 57.68 1r6h h LEU 152 Cb 0.21 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 39.96 1r6h h LEU 152 CO 0.01 0.70 0.30 -0.08 -0.62 0.00 0.00 178.44 178.74 1r6h h GLU 153 N 0.37 0.53 0.00 1.25 4.81 -1.16 0.13 114.58 120.51 1r6h h GLU 153 Ca 0.05 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 1r6h h GLU 153 Cb 0.69 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1r6h h GLU 153 CO 0.05 0.35 -0.46 -0.22 -0.73 0.00 0.00 179.01 178.01 1r6h h LYS 154 N 0.55 0.00 0.00 1.92 3.11 -1.11 -2.75 116.57 118.29 1r6h h LYS 154 Ca 0.28 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 58.08 1r6h h LYS 154 Cb 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 1r6h h LYS 154 CO -0.21 0.46 -0.20 -0.92 -2.81 0.00 0.00 179.45 175.76 1r6h h TYR 155 N 0.00 0.00 -3.30 1.91 5.03 0.46 -3.43 116.97 117.64 1r6h h TYR 155 Ca -0.00 0.00 -0.67 0.00 2.58 0.00 0.00 58.73 60.64 1r6h h TYR 155 Cb 0.92 0.00 -0.13 0.00 1.55 0.00 0.00 36.73 39.07 1r6h h TYR 155 CO 0.00 0.20 -0.62 0.50 -1.32 0.00 0.00 178.16 176.92 1r6h s ARG 156 N -4.10 2.91 0.70 1.82 3.00 -0.31 -5.04 118.95 117.93 1r6h s ARG 156 Ca -0.02 -0.51 -0.16 0.00 -1.00 0.00 0.00 55.73 54.04 1r6h s ARG 156 Cb 0.13 -2.75 0.02 0.00 0.00 0.00 0.00 34.95 32.35 1r6h s ARG 156 CO 0.63 0.66 1.24 -1.25 0.00 0.00 0.00 175.30 176.58 1r6h s PRO 157 N -1.33 2.26 -0.13 5.12 0.04 -1.26 -4.89 135.00 134.81 1r6h s PRO 157 Ca 0.18 1.87 -0.05 0.00 0.04 0.00 0.00 61.00 63.03 1r6h s PRO 157 Cb -0.12 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.65 1r6h s PRO 157 CO 0.08 -1.77 0.27 0.21 0.04 0.00 0.00 177.00 175.83 1r6h s LYS 158 N -3.72 0.19 0.51 4.56 2.20 -1.26 -5.02 119.74 117.20 1r6h s LYS 158 Ca 0.77 0.70 0.22 0.00 -0.36 0.00 0.00 55.97 57.30 1r6h s LYS 158 Cb -0.32 -0.04 1.32 0.00 -1.51 0.00 0.00 37.83 37.28 1r6h s LYS 158 CO 0.43 -0.24 2.02 1.96 -0.36 0.00 0.00 175.35 179.16 1r6h h GLN 159 N 7.90 0.06 -0.08 4.03 1.08 -1.96 0.64 115.11 126.78 1r6h h GLN 159 Ca -0.23 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.90 1r6h h GLN 159 Cb 1.13 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 1r6h h GLN 159 CO 0.21 0.04 -0.23 0.00 -0.95 0.00 0.00 178.83 177.91 1r6h h ARG 160 N 0.06 0.14 -0.12 1.46 2.47 -1.97 -2.64 114.38 113.77 1r6h h ARG 160 Ca 0.21 -0.04 -0.18 0.00 -1.26 0.00 0.00 59.98 58.71 1r6h h ARG 160 Cb 0.75 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.05 1r6h h ARG 160 CO -0.01 0.37 -0.66 1.25 0.56 0.00 0.00 179.97 181.47 1r6h h LEU 161 N 0.13 0.56-10.22 3.04 5.85 -1.29 -3.45 115.31 109.94 1r6h h LEU 161 Ca 0.02 -0.34 -0.51 0.00 0.84 0.00 0.00 57.88 57.89 1r6h h LEU 161 Cb 0.48 -0.16 0.12 0.00 0.37 0.00 0.00 40.66 41.46 1r6h h LEU 161 CO 0.03 1.07 0.36 -0.60 -0.34 0.00 0.00 178.44 178.96 1r6h s ARG 162 N -3.78 2.52 0.84 1.25 6.06 -1.00 -5.04 118.95 119.81 1r6h s ARG 162 Ca -0.07 1.43 -0.14 0.00 -2.50 0.00 0.00 55.73 54.45 1r6h s ARG 162 Cb 0.11 -1.91 0.20 0.00 0.06 0.00 0.00 34.95 33.40 1r6h s ARG 162 CO 0.84 -1.47 1.02 1.19 -2.50 0.00 0.00 175.30 174.38 1r6h n PHE 163 N -2.72 -3.93 -1.89 5.12 3.72 -1.26 -4.90 117.46 111.60 1r6h n PHE 163 Ca 0.11 -0.91 0.00 0.00 -0.05 0.00 0.00 57.45 56.60 1r6h n PHE 163 Cb 0.52 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 1r6h n PHE 163 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1r6h n LYS 164 N -3.51 -5.02 -3.45 -1.08 5.02 -1.26 -4.96 118.16 103.89 1r6h n LYS 164 Ca 0.13 3.61 -0.38 0.00 -2.02 0.00 0.00 58.31 59.65 1r6h n LYS 164 Cb 0.47 -3.83 -0.06 0.00 -0.02 0.00 0.00 35.03 31.59 1r6h n LYS 164 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1r6h s ASP 165 N -0.53 6.81 1.02 4.39 -4.77 -1.26 -5.08 116.67 117.24 1r6h s ASP 165 Ca 0.00 0.96 -0.14 0.00 -3.30 0.00 0.00 52.55 50.07 1r6h s ASP 165 Cb 0.00 -2.27 0.20 0.00 -1.09 0.00 0.00 42.92 39.76 1r6h s ASP 165 CO 0.00 0.26 1.11 -2.16 0.70 0.00 0.00 175.17 175.09 1r6h s PRO 166 N -0.76 0.28 -0.20 2.11 0.04 -1.26 -4.92 135.00 130.28 1r6h s PRO 166 Ca 0.24 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 61.32 1r6h s PRO 166 Cb -0.17 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1r6h s PRO 166 CO 0.13 -2.79 1.90 -1.58 0.04 0.00 0.00 177.00 174.70 1r6h s HIS 167 N -3.07 1.62 0.04 0.56 2.46 -1.26 -4.97 115.29 110.67 1r6h s HIS 167 Ca 0.66 0.40 0.03 0.00 0.47 0.00 0.00 55.06 56.62 1r6h s HIS 167 Cb -0.16 -4.04 -0.02 0.00 -0.13 0.00 0.00 32.58 28.23 1r6h s HIS 167 CO 0.56 -3.71 -0.10 0.95 -2.47 0.00 0.00 174.74 169.97 1r6h s THR 168 N 6.40 0.72 0.00 0.89 -4.23 -1.26 -4.97 115.64 113.19 1r6h s THR 168 Ca 0.85 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 1r6h s THR 168 Cb -0.30 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 72.81 1r6h s THR 168 CO 0.34 -0.26 0.00 1.41 -0.54 0.00 0.00 174.62 175.57 1r6h n HIS 169 N 1.61 0.00 0.10 3.99 8.25 -1.26 -5.05 115.22 122.86 1r6h n HIS 169 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1r6h n HIS 169 Cb 0.55 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1r6h n HIS 169 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1r6h n LYS 170 N -2.58 0.00 -0.03 -0.41 5.02 -1.26 -5.01 118.16 113.89 1r6h n LYS 170 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1r6h n LYS 170 Cb 0.44 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.43 1r6h n LYS 170 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1r6h n THR 171 N -3.00 0.32 -1.61 -0.18 -2.24 -1.26 -5.31 114.28 101.01 1r6h n THR 171 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1r6h n THR 171 Cb 0.00 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 1r6h n THR 171 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39