#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 0.37 1.61 1.04 -1.26 -5.10 113.70 110.28 1r6h s SER 2 Ca 0.00 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1r6h s SER 2 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1r6h s SER 2 CO 0.00 -0.70 0.00 1.57 0.98 0.00 0.00 173.24 175.09 1r6h n HIS 3 N -0.57 -3.77 -1.99 5.02 -0.00 -1.26 -5.07 115.22 107.59 1r6h n HIS 3 Ca -0.05 1.11 -0.42 0.00 0.46 0.00 0.00 57.72 58.81 1r6h n HIS 3 Cb 0.61 2.65 -0.03 0.00 -0.12 0.00 0.00 29.99 33.10 1r6h n HIS 3 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1r6h s MET 4 N -2.00 3.23 -0.18 1.57 0.00 -1.26 -4.97 119.30 115.69 1r6h s MET 4 Ca 0.00 1.34 -0.06 0.00 0.00 0.00 0.00 55.69 56.97 1r6h s MET 4 Cb 0.00 -4.23 -0.03 0.00 0.00 0.00 0.00 34.83 30.57 1r6h s MET 4 CO 0.00 -1.98 0.03 0.00 0.00 0.00 0.00 175.02 173.07 1r6h s ALA 5 N 7.24 3.24 0.00 3.16 0.00 -1.26 -4.92 121.76 129.22 1r6h s ALA 5 Ca 0.79 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1r6h s ALA 5 Cb -0.21 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1r6h s ALA 5 CO 0.32 0.11 0.00 -2.13 0.00 0.00 0.00 175.76 174.06 1r6h n ARG 6 N 3.69 0.00 -4.89 0.00 0.63 -1.26 -5.11 116.66 109.72 1r6h n ARG 6 Ca -0.17 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.50 1r6h n ARG 6 Cb 0.52 -0.13 -0.16 0.00 0.45 0.00 0.00 32.46 33.15 1r6h n ARG 6 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1r6h s MET 7 N -1.74 1.62 0.05 -0.14 -1.94 -1.26 -5.12 119.30 110.77 1r6h s MET 7 Ca 0.00 -0.66 -0.27 0.00 -1.71 0.00 0.00 55.69 53.06 1r6h s MET 7 Cb 0.00 -1.51 -0.05 0.00 2.01 0.00 0.00 34.83 35.28 1r6h s MET 7 CO 0.00 0.36 0.83 -0.80 -0.01 0.00 0.00 175.02 175.40 1r6h s ASN 8 N -0.29 7.28 -0.09 3.03 -0.87 -1.26 -5.06 114.94 117.68 1r6h s ASN 8 Ca 0.04 1.53 0.04 0.00 -1.57 0.00 0.00 52.86 52.90 1r6h s ASN 8 Cb -0.09 -2.50 -0.00 0.00 -0.02 0.00 0.00 41.25 38.64 1r6h s ASN 8 CO 0.00 -0.05 -0.23 -0.60 -2.57 0.00 0.00 177.10 173.65 1r6h s ARG 9 N 0.16 2.85 -0.14 -0.60 3.52 -1.26 -5.10 118.95 118.38 1r6h s ARG 9 Ca 0.42 -0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 54.87 1r6h s ARG 9 Cb -0.21 -2.21 -0.03 0.00 -1.56 0.00 0.00 34.95 30.94 1r6h s ARG 9 CO 0.25 0.21 1.52 -1.25 -0.81 0.00 0.00 175.30 175.22 1r6h s PRO 10 N 0.26 4.07 0.41 5.12 0.04 -1.26 -5.00 135.00 138.64 1r6h s PRO 10 Ca -0.16 1.86 -0.24 0.00 0.04 0.00 0.00 61.00 62.50 1r6h s PRO 10 Cb -0.17 -3.94 -0.09 0.00 0.04 0.00 0.00 34.50 30.35 1r6h s PRO 10 CO 0.08 -0.95 1.09 0.00 0.04 0.00 0.00 177.00 177.25 1r6h s ALA 11 N 4.25 3.07 0.84 8.56 0.00 -1.26 -4.87 121.76 132.35 1r6h s ALA 11 Ca 0.67 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 53.30 1r6h s ALA 11 Cb -0.27 -3.31 0.10 0.00 0.00 0.00 0.00 23.12 19.64 1r6h s ALA 11 CO 0.25 -0.36 1.10 -1.25 0.00 0.00 0.00 175.76 175.50 1r6h s PRO 12 N -2.52 1.69 -0.04 0.00 0.04 -1.26 -4.97 135.00 127.94 1r6h s PRO 12 Ca 0.59 0.70 -0.00 0.00 0.04 0.00 0.00 61.00 62.33 1r6h s PRO 12 Cb -0.25 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.45 1r6h s PRO 12 CO 0.31 -1.91 0.01 0.08 0.04 0.00 0.00 177.00 175.52 1r6h s VAL 13 N -3.07 0.19 -0.14 -0.36 1.01 -0.47 -4.96 120.40 112.61 1r6h s VAL 13 Ca 0.62 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.72 1r6h s VAL 13 Cb -0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 1r6h s VAL 13 CO 0.55 0.17 -0.13 -1.83 0.00 0.00 0.00 175.10 173.86 1r6h s GLU 14 N 1.31 3.36 -0.18 2.72 4.04 -1.26 0.73 118.70 129.42 1r6h s GLU 14 Ca -0.06 -0.69 -0.06 0.00 0.04 0.00 0.00 54.97 54.20 1r6h s GLU 14 Cb -0.13 -2.64 -0.03 0.00 0.02 0.00 0.00 34.13 31.34 1r6h s GLU 14 CO -0.02 0.17 0.02 0.08 -1.84 0.00 0.00 175.26 173.66 1r6h s VAL 15 N 0.46 4.24 0.08 1.83 1.01 -0.34 -4.89 120.40 122.80 1r6h s VAL 15 Ca -0.10 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 61.75 1r6h s VAL 15 Cb -0.16 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1r6h s VAL 15 CO 0.05 0.45 -0.21 -0.94 0.00 0.00 0.00 175.10 174.45 1r6h s SER 16 N 0.64 3.66 -0.24 3.32 1.04 -1.26 0.78 113.70 121.64 1r6h s SER 16 Ca 0.01 -0.55 -0.07 0.00 0.48 0.00 0.00 55.95 55.81 1r6h s SER 16 Cb -0.14 -0.47 0.12 0.00 0.10 0.00 0.00 66.02 65.63 1r6h s SER 16 CO 0.02 0.21 0.50 -0.47 0.98 0.00 0.00 173.24 174.49 1r6h s TYR 17 N -1.01 -1.04 0.00 5.02 5.04 -0.68 -5.00 117.35 119.68 1r6h s TYR 17 Ca 0.15 1.71 0.00 0.00 -2.44 0.00 0.00 57.07 56.49 1r6h s TYR 17 Cb -0.10 0.45 0.00 0.00 0.35 0.00 0.00 41.96 42.66 1r6h s TYR 17 CO 0.07 -0.60 0.00 1.63 -1.34 0.00 0.00 175.55 175.30 1r6h n LYS 18 N 5.41 0.00 -0.11 4.97 4.76 -1.26 -1.64 118.16 130.29 1r6h n LYS 18 Ca -0.08 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.38 1r6h n LYS 18 Cb 0.50 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.71 1r6h n LYS 18 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1r6h n HIS 19 N 0.00 0.00 -4.57 2.13 8.25 -1.26 -5.08 115.22 114.69 1r6h n HIS 19 Ca 0.00 -0.37 -0.26 0.00 -0.26 0.00 0.00 57.72 56.83 1r6h n HIS 19 Cb 0.00 -0.06 -0.11 0.00 1.12 0.00 0.00 29.99 30.94 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 -0.93 1.87 0.14 -0.41 0.00 -0.65 -3.88 119.30 115.43 1r6h s MET 20 Ca 0.07 -2.04 -0.07 0.00 0.00 0.00 0.00 55.69 53.65 1r6h s MET 20 Cb 0.06 -1.49 -0.01 0.00 0.00 0.00 0.00 34.83 33.38 1r6h s MET 20 CO 0.01 -0.04 0.21 1.03 0.00 0.00 0.00 175.02 176.22 1r6h s ARG 21 N -3.73 1.03 0.05 3.16 0.52 -1.13 -1.69 118.95 117.15 1r6h s ARG 21 Ca 0.35 -1.19 0.03 0.00 -0.52 0.00 0.00 55.73 54.40 1r6h s ARG 21 Cb 0.08 0.34 -0.02 0.00 0.52 0.00 0.00 34.95 35.87 1r6h s ARG 21 CO 0.17 -0.35 -0.10 -0.06 0.02 0.00 0.00 175.30 174.99 1r6h s PHE 22 N -3.96 0.83 -0.05 -0.53 0.08 0.23 -3.09 117.98 111.49 1r6h s PHE 22 Ca 0.16 -0.45 0.06 0.00 0.12 0.00 0.00 56.93 56.81 1r6h s PHE 22 Cb 0.05 -0.49 -0.01 0.00 -0.57 0.00 0.00 43.02 42.00 1r6h s PHE 22 CO -0.02 -0.04 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.33 1r6h s LEU 23 N -1.47 2.01 -0.30 -0.37 2.01 0.18 -1.20 118.68 119.53 1r6h s LEU 23 Ca -0.06 -0.44 0.02 0.00 0.01 0.00 0.00 54.13 53.65 1r6h s LEU 23 Cb -0.09 -1.20 0.07 0.00 0.01 0.00 0.00 46.19 44.98 1r6h s LEU 23 CO 0.01 0.21 -0.02 -0.63 1.01 0.00 0.00 176.35 176.94 1r6h s ILE 24 N -0.13 2.49 0.21 -0.59 -1.09 0.22 0.14 121.20 122.46 1r6h s ILE 24 Ca -0.02 -1.80 0.03 0.00 -2.23 0.00 0.00 60.65 56.63 1r6h s ILE 24 Cb -0.12 -2.57 -0.05 0.00 -1.58 0.00 0.00 42.46 38.13 1r6h s ILE 24 CO 0.03 -0.25 0.00 0.42 -1.23 0.00 0.00 174.94 173.91 1r6h s THR 25 N 1.09 0.89 0.45 2.92 -4.23 0.74 -1.37 115.64 116.13 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 -2.28 -0.09 0.00 1.34 0.00 0.00 72.50 71.27 1r6h s THR 25 CO -0.05 -0.36 0.93 -1.38 -0.54 0.00 0.00 174.62 173.22 1r6h s HIS 26 N -3.51 3.38 0.72 3.99 -3.43 -1.26 0.28 115.29 115.46 1r6h s HIS 26 Ca 0.27 1.47 -0.15 0.00 -0.80 0.00 0.00 55.06 55.85 1r6h s HIS 26 Cb 0.06 -2.76 0.04 0.00 -1.43 0.00 0.00 32.58 28.48 1r6h s HIS 26 CO 0.07 -0.19 1.20 0.54 -2.00 0.00 0.00 174.74 174.37 1r6h s ASN 27 N -2.61 4.27 0.30 7.38 4.22 -1.26 -4.82 114.94 122.42 1r6h s ASN 27 Ca 0.59 2.34 -0.29 0.00 -2.14 0.00 0.00 52.86 53.36 1r6h s ASN 27 Cb -0.10 -2.59 -0.13 0.00 1.28 0.00 0.00 41.25 39.72 1r6h s ASN 27 CO 0.22 -2.21 1.27 -0.81 -2.04 0.00 0.00 177.10 173.53 1r6h n PRO 28 N -2.67 1.96 -2.96 3.55 -0.04 -1.26 -5.01 135.00 128.56 1r6h n PRO 28 Ca 0.13 0.69 -0.19 0.00 -0.04 0.00 0.00 63.50 64.09 1r6h n PRO 28 Cb 0.50 -2.25 0.04 0.00 -0.04 0.00 0.00 33.50 31.75 1r6h n PRO 28 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1r6h s THR 29 N -0.80 2.55 -1.25 0.52 -4.23 -1.26 -4.95 115.64 106.22 1r6h s THR 29 Ca 0.60 -0.95 0.23 0.00 -1.18 0.00 0.00 61.69 60.39 1r6h s THR 29 Cb -0.62 -2.60 -0.09 0.00 1.34 0.00 0.00 72.50 70.53 1r6h s THR 29 CO 0.58 0.00 1.11 -3.20 -0.54 0.00 0.00 174.62 172.58 1r6h n ASN 30 N -2.13 1.07 -0.05 3.99 5.15 -1.26 -4.34 115.26 117.69 1r6h n ASN 30 Ca 0.12 -0.91 -0.10 0.00 -0.60 0.00 0.00 54.58 53.09 1r6h n ASN 30 Cb 0.60 0.66 -0.15 0.00 -0.53 0.00 0.00 39.78 40.36 1r6h n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r6h n ALA 31 N -1.17 1.47 -3.47 5.20 0.00 -1.26 -4.78 120.51 116.50 1r6h n ALA 31 Ca 0.06 -0.95 -0.29 0.00 0.00 0.00 0.00 53.44 52.26 1r6h n ALA 31 Cb 0.36 -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 0.22 -0.13 0.00 -4.23 -1.26 -4.98 115.64 102.69 1r6h s THR 32 Ca -0.08 -1.79 -0.23 0.00 -1.18 0.00 0.00 61.69 58.42 1r6h s THR 32 Cb 0.07 -1.17 -0.20 0.00 1.34 0.00 0.00 72.50 72.54 1r6h s THR 32 CO 0.82 -0.99 0.59 -0.07 -0.54 0.00 0.00 174.62 174.43 1r6h h LEU 33 N 6.95 0.00 -0.50 4.79 -0.00 -1.86 -3.30 115.31 121.39 1r6h h LEU 33 Ca 0.06 -0.78 0.04 0.00 -0.00 0.00 0.00 57.88 57.20 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 0.28 0.90 0.27 0.77 -0.00 0.00 0.00 178.44 180.66 1r6h h SER 34 N -1.00 0.40 -0.38 -0.43 4.64 -1.96 -1.97 113.55 112.85 1r6h h SER 34 Ca -0.00 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 1r6h h SER 34 Cb 0.79 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 1r6h h SER 34 CO -0.00 0.28 0.26 0.74 -0.87 0.00 0.00 176.83 177.24 1r6h h THR 35 N 0.53 0.94 -0.01 2.95 2.02 -1.98 -2.35 112.91 115.02 1r6h h THR 35 Ca 0.21 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 1r6h h THR 35 Cb 0.09 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1r6h h THR 35 CO -0.13 0.05 -0.21 0.15 0.37 0.00 0.00 175.52 175.75 1r6h h PHE 36 N 0.26 0.22 -0.95 3.16 3.04 -1.45 -2.67 116.94 118.55 1r6h h PHE 36 Ca 0.17 -0.12 0.10 0.00 3.98 0.00 0.00 57.97 62.11 1r6h h PHE 36 Cb 0.34 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 38.75 1r6h h PHE 36 CO -0.00 0.90 0.61 -0.84 -2.02 0.00 0.00 178.31 176.96 1r6h h ILE 37 N -0.51 0.97 0.13 1.41 3.07 -1.11 0.38 117.51 121.85 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 0.95 -0.09 0.00 0.00 -0.27 0.00 0.00 36.82 37.41 1r6h h ILE 37 CO 0.04 0.18 -0.06 -0.33 -1.05 0.00 0.00 178.15 176.93 1r6h h GLU 38 N 0.97 -0.16 0.01 0.16 5.08 -1.49 -1.43 114.58 117.71 1r6h h GLU 38 Ca 0.45 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.82 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 -0.21 0.15 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.51 1r6h h ASP 39 N -0.49 -0.01 -0.51 1.42 3.32 -1.07 0.91 116.42 119.99 1r6h h ASP 39 Ca -0.02 -0.40 0.06 0.00 0.02 0.00 0.00 57.03 56.69 1r6h h ASP 39 Cb 0.39 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1r6h h ASP 39 CO 0.03 0.40 0.21 -0.07 -1.72 0.00 0.00 179.24 178.09 1r6h h LEU 40 N -0.42 0.25 -0.34 1.55 3.38 -0.35 -0.71 115.31 118.67 1r6h h LEU 40 Ca -0.00 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1r6h h LEU 40 Cb 0.41 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1r6h h LEU 40 CO 0.00 0.17 -0.57 0.50 0.09 0.00 0.00 178.44 178.64 1r6h h LYS 41 N 0.41 0.00 -0.71 1.13 3.64 -1.27 -3.28 116.57 116.50 1r6h h LYS 41 Ca 0.24 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.73 1r6h h LYS 41 Cb 0.23 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.96 1r6h h LYS 41 CO -0.22 0.57 0.31 0.87 -2.27 0.00 0.00 179.45 178.70 1r6h h LYS 42 N 0.00 0.48 -0.67 1.90 1.57 0.24 -1.14 116.57 118.96 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 1.29 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 1r6h h LYS 42 CO 0.07 0.32 0.22 -0.92 -0.57 0.00 0.00 179.45 178.57 1r6h h TYR 43 N 0.50 1.04 0.00 -1.35 5.03 -1.53 -3.48 116.97 117.18 1r6h h TYR 43 Ca 0.37 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.59 1r6h h TYR 43 Cb 0.48 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.45 1r6h h TYR 43 CO -0.14 0.83 0.00 0.41 -1.32 0.00 0.00 178.16 177.93 1r6h n GLY 44 N -0.86 -2.39 2.87 1.82 0.00 -0.43 -4.97 105.19 101.24 1r6h n GLY 44 Ca 0.05 -1.25 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.83 1.28 0.00 4.61 0.00 -1.26 -4.46 121.76 120.10 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 -0.62 0.00 2.41 0.00 0.00 0.00 175.76 177.55 1r6h n THR 46 N 4.95 0.00 -1.98 0.00 -1.04 0.66 -4.17 114.28 112.70 1r6h n THR 46 Ca -0.11 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.52 1r6h n THR 46 Cb 0.49 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.02 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 2.51 -0.06 12.58 -4.23 -1.25 -4.13 115.64 118.31 1r6h s THR 47 Ca 0.00 0.38 0.04 0.00 -1.18 0.00 0.00 61.69 60.93 1r6h s THR 47 Cb 0.00 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1r6h s THR 47 CO 0.00 -0.01 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.21 1r6h s VAL 48 N -1.41 1.49 -0.34 2.29 1.01 0.14 -2.63 120.40 120.95 1r6h s VAL 48 Ca 0.68 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1r6h s VAL 48 Cb -0.35 -1.30 0.08 0.00 0.00 0.00 0.00 36.38 34.80 1r6h s VAL 48 CO 0.42 0.43 0.06 0.54 0.00 0.00 0.00 175.10 176.55 1r6h s VAL 49 N 0.27 2.91 -0.30 2.92 0.11 0.87 0.20 120.40 127.38 1r6h s VAL 49 Ca -0.10 -1.75 -0.02 0.00 -2.93 0.00 0.00 61.98 57.18 1r6h s VAL 49 Cb -0.14 -2.84 0.04 0.00 -1.53 0.00 0.00 36.38 31.91 1r6h s VAL 49 CO 0.04 -0.35 0.01 0.00 -3.33 0.00 0.00 175.10 171.47 1r6h s ARG 50 N 1.16 2.51 -0.76 1.54 1.70 -1.13 -2.21 118.95 121.77 1r6h s ARG 50 Ca 0.01 -1.21 -0.10 0.00 -0.47 0.00 0.00 55.73 53.95 1r6h s ARG 50 Cb -0.21 -3.20 0.20 0.00 -0.57 0.00 0.00 34.95 31.17 1r6h s ARG 50 CO -0.03 -0.60 0.65 0.08 -1.08 0.00 0.00 175.30 174.32 1r6h s VAL 51 N 1.29 4.98 0.29 4.99 1.01 -1.26 -2.72 120.40 128.98 1r6h s VAL 51 Ca -0.04 -2.61 -0.19 0.00 0.00 0.00 0.00 61.98 59.14 1r6h s VAL 51 Cb -0.19 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1r6h s VAL 51 CO -0.01 -0.98 0.70 0.00 0.00 0.00 0.00 175.10 174.81 1r6h s GLU 53 N -3.65 4.23 -0.14 0.00 0.41 -1.26 -4.29 118.70 114.00 1r6h s GLU 53 Ca 0.13 2.32 -0.29 0.00 -0.41 0.00 0.00 54.97 56.72 1r6h s GLU 53 Cb -0.05 -3.16 -0.01 0.00 -1.78 0.00 0.00 34.13 29.12 1r6h s GLU 53 CO 0.08 -0.57 1.13 0.08 -0.49 0.00 0.00 175.26 175.49 1r6h s VAL 54 N 1.06 4.49 0.00 2.63 1.01 -1.26 -4.87 120.40 123.45 1r6h s VAL 54 Ca 0.69 1.79 0.00 0.00 0.00 0.00 0.00 61.98 64.46 1r6h s VAL 54 Cb -0.43 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1r6h s VAL 54 CO 0.32 -0.08 0.00 0.35 0.00 0.00 0.00 175.10 175.69 1r6h n THR 55 N 4.97 0.00 -3.65 3.92 -2.24 -1.26 -4.94 114.28 111.08 1r6h n THR 55 Ca 0.11 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.61 1r6h n THR 55 Cb 0.46 -1.28 -0.12 0.00 -2.10 0.00 0.00 70.33 67.30 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 -4.96 117.35 118.10 1r6h s TYR 56 Ca 0.00 -2.64 -0.08 0.00 -0.37 0.00 0.00 57.07 53.98 1r6h s TYR 56 Cb 0.00 -1.75 -0.28 0.00 -0.40 0.00 0.00 41.96 39.52 1r6h s TYR 56 CO 0.00 -0.73 1.12 0.22 -1.57 0.00 0.00 175.55 174.59 1r6h h ASP 57 N 5.95 0.59 0.03 2.29 3.58 -1.99 -3.37 116.42 123.50 1r6h h ASP 57 Ca 0.14 -0.60 -0.04 0.00 0.42 0.00 0.00 57.03 56.94 1r6h h ASP 57 Cb 0.87 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.73 1r6h h ASP 57 CO 0.51 1.46 -0.19 0.50 -2.88 0.00 0.00 179.24 178.63 1r6h h LYS 58 N 0.13 0.08 -0.77 0.28 3.64 -1.99 -3.28 116.57 114.66 1r6h h LYS 58 Ca -0.17 -0.12 0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1r6h h LYS 58 Cb 1.98 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 33.70 1r6h h LYS 58 CO 0.22 1.03 -0.26 1.15 -2.27 0.00 0.00 179.45 179.33 1r6h h THR 59 N -0.82 0.16 -0.21 1.00 2.02 -1.98 0.30 112.91 113.39 1r6h h THR 59 Ca -0.03 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.01 1r6h h THR 59 Cb 1.13 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1r6h h THR 59 CO 0.04 0.00 -0.42 -0.65 0.37 0.00 0.00 175.52 174.85 1r6h h PRO 60 N -0.04 0.65 -0.14 6.66 0.11 -1.74 -3.15 132.00 134.36 1r6h h PRO 60 Ca 0.34 -0.42 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 1r6h h PRO 60 Cb 0.58 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1r6h h PRO 60 CO -0.81 1.04 -0.27 1.25 -0.21 0.00 0.00 178.00 179.00 1r6h h LEU 61 N 0.34 0.48 -0.48 2.35 5.85 -1.49 -1.82 115.31 120.54 1r6h h LEU 61 Ca 0.01 -0.56 0.05 0.00 0.84 0.00 0.00 57.88 58.22 1r6h h LEU 61 Cb 1.03 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1r6h h LEU 61 CO 0.09 0.94 0.20 -0.33 -0.34 0.00 0.00 178.44 179.00 1r6h h GLU 62 N 0.03 0.38 0.00 1.25 4.39 -0.55 0.95 114.58 121.04 1r6h h GLU 62 Ca 0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1r6h h GLU 62 Cb 0.86 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1r6h h GLU 62 CO 0.06 0.25 -0.16 0.87 -1.16 0.00 0.00 179.01 178.87 1r6h h LYS 63 N 0.39 0.00 0.00 2.33 1.57 -1.62 -3.30 116.57 115.95 1r6h h LYS 63 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1r6h h LYS 63 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1r6h h LYS 63 CO -0.20 0.04 -1.10 -0.25 -0.57 0.00 0.00 179.45 177.37 1r6h n ASP 64 N -3.06 0.84 -4.14 0.86 8.00 -0.69 -4.97 116.55 113.40 1r6h n ASP 64 Ca 0.03 -0.83 -0.33 0.00 0.71 0.00 0.00 54.79 54.37 1r6h n ASP 64 Cb 0.55 1.14 -0.05 0.00 -0.02 0.00 0.00 41.12 42.75 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 1.45 -0.35 3.11 0.44 0.00 0.33 -4.95 105.19 105.21 1r6h n GLY 65 Ca 0.03 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.05 0.84 0.14 -0.61 -4.36 -1.25 -5.00 121.20 106.91 1r6h s ILE 66 Ca 0.14 -1.09 -0.30 0.00 -0.26 0.00 0.00 60.65 59.14 1r6h s ILE 66 Cb -0.07 -0.83 -0.07 0.00 1.25 0.00 0.00 42.46 42.75 1r6h s ILE 66 CO 0.96 -0.22 1.02 0.42 0.24 0.00 0.00 174.94 177.36 1r6h s THR 67 N -1.16 4.22 0.01 8.37 -4.23 -1.26 -4.86 115.64 116.73 1r6h s THR 67 Ca -0.04 1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 62.32 1r6h s THR 67 Cb -0.09 -4.20 -0.01 0.00 1.34 0.00 0.00 72.50 69.54 1r6h s THR 67 CO 0.01 0.31 0.03 0.54 -0.54 0.00 0.00 174.62 174.97 1r6h s VAL 68 N -0.12 0.10 -0.18 2.29 0.11 -1.26 0.23 120.40 121.57 1r6h s VAL 68 Ca 0.48 -0.79 -0.07 0.00 -2.93 0.00 0.00 61.98 58.66 1r6h s VAL 68 Cb -0.26 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1r6h s VAL 68 CO 0.32 -0.44 0.06 -0.69 -3.33 0.00 0.00 175.10 171.03 1r6h s VAL 69 N -1.37 4.82 -0.44 2.04 1.01 0.13 -4.90 120.40 121.68 1r6h s VAL 69 Ca -0.15 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 1r6h s VAL 69 Cb -0.09 -3.17 0.05 0.00 0.00 0.00 0.00 36.38 33.18 1r6h s VAL 69 CO -0.00 0.46 0.35 -0.62 0.00 0.00 0.00 175.10 175.29 1r6h s ASP 70 N 0.33 6.08 -0.39 3.32 -1.08 -1.26 -2.84 116.67 120.82 1r6h s ASP 70 Ca 0.03 -1.19 -0.04 0.00 -0.52 0.00 0.00 52.55 50.83 1r6h s ASP 70 Cb -0.12 -2.15 0.09 0.00 -1.46 0.00 0.00 42.92 39.27 1r6h s ASP 70 CO 0.00 -0.57 0.18 0.26 0.52 0.00 0.00 175.17 175.56 1r6h s TRP 71 N 1.63 3.44 0.51 -5.34 0.52 -1.10 -5.06 118.94 113.54 1r6h s TRP 71 Ca 0.04 -2.03 0.07 0.00 0.02 0.00 0.00 56.10 54.19 1r6h s TRP 71 Cb -0.22 -2.90 0.02 0.00 -1.15 0.00 0.00 33.47 29.22 1r6h s TRP 71 CO 0.07 -0.90 0.43 -1.25 0.02 0.00 0.00 176.95 175.32 1r6h s PRO 72 N 1.25 2.33 -0.27 4.98 0.04 -1.26 -1.62 135.00 140.45 1r6h s PRO 72 Ca 0.04 -1.84 0.01 0.00 0.04 0.00 0.00 61.00 59.25 1r6h s PRO 72 Cb -0.22 -2.23 0.08 0.00 0.04 0.00 0.00 34.50 32.17 1r6h s PRO 72 CO -0.02 -0.51 0.01 0.12 0.04 0.00 0.00 177.00 176.64 1r6h s PHE 73 N -2.67 2.47 0.14 0.56 5.36 -1.26 -4.90 117.98 117.67 1r6h s PHE 73 Ca 0.41 -1.98 0.02 0.00 -0.96 0.00 0.00 56.93 54.42 1r6h s PHE 73 Cb -0.02 -1.87 -0.01 0.00 -0.34 0.00 0.00 43.02 40.78 1r6h s PHE 73 CO 0.25 -0.83 0.14 -0.40 -1.46 0.00 0.00 175.22 172.92 1r6h n ASP 74 N 4.64 -0.37 0.28 6.13 5.75 -1.26 -5.01 116.55 126.71 1r6h n ASP 74 Ca -0.06 -1.85 0.18 0.00 -0.01 0.00 0.00 54.79 53.05 1r6h n ASP 74 Cb 0.43 0.78 0.93 0.00 -1.03 0.00 0.00 41.12 42.24 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 0.82 0.00 -1.12 -1.12 3.32 -2.07 -1.54 116.42 114.71 1r6h h ASP 75 Ca -0.10 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.29 1r6h h ASP 75 Cb 0.48 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.71 1r6h h ASP 75 CO 0.14 0.00 0.47 0.61 -1.72 0.00 0.00 179.24 178.74 1r6h n GLY 76 N -1.27 5.95 3.25 2.75 0.00 -1.26 -4.92 105.19 109.69 1r6h n GLY 76 Ca -0.01 -2.43 -0.41 0.00 0.00 0.00 0.00 46.02 43.17 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 -3.80 3.35 -0.31 4.61 0.00 -0.58 -5.05 121.76 119.98 1r6h s ALA 77 Ca 0.59 -2.32 -0.28 0.00 0.00 0.00 0.00 51.96 49.95 1r6h s ALA 77 Cb 0.47 -2.76 -0.06 0.00 0.00 0.00 0.00 23.12 20.78 1r6h s ALA 77 CO -0.07 -1.77 2.28 -2.30 0.00 0.00 0.00 175.76 173.91 1r6h n PRO 78 N 4.93 1.64 -0.26 0.00 -0.02 -1.26 -4.88 135.00 135.15 1r6h n PRO 78 Ca -0.09 0.37 0.03 0.00 -2.02 0.00 0.00 63.50 61.78 1r6h n PRO 78 Cb 0.42 -3.23 0.16 0.00 -0.02 0.00 0.00 33.50 30.83 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 16.14 0.60 -6.45 0.52 0.11 -1.99 -3.43 132.00 137.50 1r6h h PRO 79 Ca -0.35 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.16 1r6h h PRO 79 Cb 1.25 -0.14 0.19 0.00 0.11 0.00 0.00 31.00 32.42 1r6h h PRO 79 CO 1.02 0.40 -0.74 -0.35 -0.21 0.00 0.00 178.00 178.12 1r6h n PRO 80 N -4.86 0.18 0.31 1.05 -0.04 -1.26 -4.85 135.00 125.53 1r6h n PRO 80 Ca 0.13 0.09 0.20 0.00 -0.04 0.00 0.00 63.50 63.88 1r6h n PRO 80 Cb 0.32 -1.56 1.00 0.00 -0.04 0.00 0.00 33.50 33.21 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 -0.42 0.00 0.15 0.55 0.00 -1.99 -3.03 103.07 98.32 1r6h h GLY 81 Ca -0.44 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.15 1r6h h GLY 81 CO 0.40 0.00 0.67 1.70 0.00 0.00 0.00 176.54 179.31 1r6h h LYS 82 N 0.00 0.00 -0.35 4.80 3.64 -1.91 0.49 116.57 123.24 1r6h h LYS 82 Ca 0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1r6h h LYS 82 Cb 0.20 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1r6h h LYS 82 CO 0.00 0.00 0.08 0.28 -2.27 0.00 0.00 179.45 177.54 1r6h h VAL 83 N 0.00 0.85 -0.96 2.00 2.07 -1.80 0.15 116.25 118.55 1r6h h VAL 83 Ca 0.43 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.98 1r6h h VAL 83 Cb 1.77 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 1r6h h VAL 83 CO -0.00 0.04 0.62 0.58 0.02 0.00 0.00 177.57 178.82 1r6h h VAL 84 N 0.21 0.97 -0.21 2.57 2.07 -0.28 0.42 116.25 122.01 1r6h h VAL 84 Ca 0.16 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1r6h h VAL 84 Cb 0.17 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1r6h h VAL 84 CO -0.20 0.18 0.14 -0.33 0.02 0.00 0.00 177.57 177.38 1r6h h GLU 85 N 0.99 0.19 0.06 1.57 5.08 -0.37 0.36 114.58 122.45 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 29.60 1r6h h GLU 85 CO -0.21 0.12 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.46 1r6h h ASP 86 N 0.19 -0.06 0.54 1.42 3.32 0.12 -1.13 116.42 120.82 1r6h h ASP 86 Ca 0.09 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 1r6h h ASP 86 Cb 0.11 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1r6h h ASP 86 CO -0.02 0.28 -0.28 -0.25 -1.72 0.00 0.00 179.24 177.25 1r6h h TRP 87 N -0.42 0.00 -0.21 4.55 2.91 -1.05 -2.65 115.95 119.08 1r6h h TRP 87 Ca -0.01 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1r6h h TRP 87 Cb 0.37 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.01 1r6h h TRP 87 CO 0.04 0.28 0.07 -0.07 -1.03 0.00 0.00 178.44 177.73 1r6h h LEU 88 N 0.00 0.31 -0.73 0.65 3.38 -0.04 -2.29 115.31 116.58 1r6h h LEU 88 Ca -0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1r6h h LEU 88 Cb 0.63 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1r6h h LEU 88 CO 0.04 0.42 0.42 -1.28 0.09 0.00 0.00 178.44 178.13 1r6h h SER 89 N 0.18 0.90 -0.21 -0.43 0.87 -0.95 0.37 113.55 114.29 1r6h h SER 89 Ca 0.07 -0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1r6h h SER 89 Cb 0.22 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.90 1r6h h SER 89 CO -0.00 0.72 -0.14 0.25 -0.53 0.00 0.00 176.83 177.13 1r6h h LEU 90 N 1.01 -0.45 -0.19 2.23 7.12 -1.26 -0.54 115.31 123.23 1r6h h LEU 90 Ca 0.26 0.10 -0.17 0.00 0.13 0.00 0.00 57.88 58.20 1r6h h LEU 90 Cb 0.01 0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.38 1r6h h LEU 90 CO -0.04 -0.18 -0.55 1.62 -0.13 0.00 0.00 178.44 179.16 1r6h h VAL 91 N -0.13 1.31 -0.96 1.05 3.04 -1.15 -2.68 116.25 116.73 1r6h h VAL 91 Ca 0.12 -1.78 0.13 0.00 -1.01 0.00 0.00 66.70 64.16 1r6h h VAL 91 Cb 0.31 1.91 -0.08 0.00 -2.01 0.00 0.00 31.29 31.42 1r6h h VAL 91 CO -0.29 0.56 0.61 0.50 -1.01 0.00 0.00 177.57 177.94 1r6h h LYS 92 N 0.40 0.86 -0.07 4.17 3.11 0.06 0.99 116.57 126.09 1r6h h LYS 92 Ca -0.02 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.70 1r6h h LYS 92 Cb 1.17 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.20 1r6h h LYS 92 CO 0.12 0.57 -0.25 0.00 -2.81 0.00 0.00 179.45 177.07 1r6h h ALA 93 N 1.56 0.13 0.00 5.00 0.00 -1.10 -2.18 119.26 122.67 1r6h h ALA 93 Ca 0.47 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1r6h h ALA 93 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1r6h h ALA 93 CO -0.24 0.13 -0.04 0.87 0.00 0.00 0.00 179.25 179.97 1r6h h LYS 94 N -0.20 0.00 0.22 0.00 1.79 -1.03 -2.40 116.57 114.95 1r6h h LYS 94 Ca -0.01 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.13 1r6h h LYS 94 Cb 0.89 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.57 1r6h h LYS 94 CO 0.05 0.04 -1.50 0.74 -1.08 0.00 0.00 179.45 177.70 1r6h h PHE 95 N 0.00 0.83 -0.31 -1.35 -1.00 0.99 -1.59 116.94 114.52 1r6h h PHE 95 Ca -0.00 -0.61 -0.11 0.00 2.81 0.00 0.00 57.97 60.06 1r6h h PHE 95 Cb 0.69 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.21 1r6h h PHE 95 CO 0.00 1.58 -0.23 0.00 -1.61 0.00 0.00 178.31 178.05 1r6h h GLU 97 N 0.47 0.08 -3.41 0.00 4.81 -1.56 -3.39 114.58 111.58 1r6h h GLU 97 Ca 0.06 -0.09 -0.64 0.00 -0.13 0.00 0.00 59.36 58.56 1r6h h GLU 97 Cb 0.78 0.03 -0.41 0.00 0.63 0.00 0.00 28.75 29.78 1r6h h GLU 97 CO 0.06 0.86 -0.65 0.00 -0.73 0.00 0.00 179.01 178.55 1r6h s ALA 98 N -3.20 3.08 0.21 2.92 0.00 -0.60 -5.08 121.76 119.09 1r6h s ALA 98 Ca -0.01 -3.10 -0.30 0.00 0.00 0.00 0.00 51.96 48.55 1r6h s ALA 98 Cb 0.11 -2.10 -0.08 0.00 0.00 0.00 0.00 23.12 21.05 1r6h s ALA 98 CO 0.81 -2.00 1.06 -1.25 0.00 0.00 0.00 175.76 174.38 1r6h s PRO 99 N -0.09 4.65 -1.10 0.00 0.04 -1.20 -3.99 135.00 133.31 1r6h s PRO 99 Ca 0.17 1.68 -0.06 0.00 0.04 0.00 0.00 61.00 62.83 1r6h s PRO 99 Cb -0.25 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 1r6h s PRO 99 CO -0.01 0.19 0.91 0.41 0.04 0.00 0.00 177.00 178.54 1r6h n GLY 100 N 1.77 -0.94 0.00 0.56 0.00 -1.25 -4.97 105.19 100.35 1r6h n GLY 100 Ca 0.01 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1r6h n GLY 100 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r6h n SER 101 N -3.15 0.12 -4.07 1.61 3.41 -1.26 -4.75 113.62 105.54 1r6h n SER 101 Ca -0.13 -0.85 -0.32 0.00 -0.26 0.00 0.00 58.87 57.31 1r6h n SER 101 Cb 0.63 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.43 1r6h n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r6h s VAL 103 N 1.21 4.53 -0.02 0.00 1.01 -1.18 -0.24 120.40 125.71 1r6h s VAL 103 Ca -0.04 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.18 1r6h s VAL 103 Cb -0.17 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1r6h s VAL 103 CO -0.08 0.08 -0.21 0.00 0.00 0.00 0.00 175.10 174.89 1r6h s ALA 104 N -1.46 1.74 0.15 5.51 0.00 -1.08 0.48 121.76 127.10 1r6h s ALA 104 Ca 0.30 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 1r6h s ALA 104 Cb -0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1r6h s ALA 104 CO 0.22 0.41 0.08 0.08 0.00 0.00 0.00 175.76 176.56 1r6h s VAL 105 N -0.43 0.07 0.72 0.00 1.01 0.37 -0.09 120.40 122.04 1r6h s VAL 105 Ca 0.07 -1.93 -0.14 0.00 0.00 0.00 0.00 61.98 59.98 1r6h s VAL 105 Cb -0.09 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1r6h s VAL 105 CO -0.00 -0.33 1.14 -2.28 0.00 0.00 0.00 175.10 173.63 1r6h s HIS 106 N -4.08 2.37 -0.41 5.22 5.65 -0.94 -0.18 115.29 122.92 1r6h s HIS 106 Ca 0.28 1.59 -0.28 0.00 0.25 0.00 0.00 55.06 56.90 1r6h s HIS 106 Cb 0.07 -3.25 -0.02 0.00 -1.18 0.00 0.00 32.58 28.21 1r6h s HIS 106 CO 0.05 -2.05 1.82 0.00 -0.65 0.00 0.00 174.74 173.91 1r6h n VAL 108 N 7.37 0.00 0.03 0.00 0.24 -1.26 -3.79 118.33 120.91 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 0.48 -0.61 0.01 0.00 -1.47 0.00 0.00 33.84 32.26 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 -1.00 1.09 -3.00 2.33 0.00 -1.26 -4.20 120.51 114.48 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 18.52 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 -1.37 5.16 3.25 0.00 0.00 -1.25 -5.04 105.19 105.94 1r6h n GLY 110 Ca 0.00 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 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 2.31 0.00 0.99 1.43 -1.26 -4.07 118.68 118.09 1r6h s LEU 111 Ca 0.00 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1r6h s LEU 111 Cb 0.00 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.72 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 3.82 2.58 0.00 -3.19 0.00 -1.26 -4.95 105.19 102.20 1r6h n GLY 112 Ca -0.19 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.96 -0.21 1.61 3.00 -1.26 -4.47 116.66 116.29 1r6h n ARG 113 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.85 57.85 1r6h n ARG 113 Cb 0.00 -0.94 0.12 0.00 0.00 0.00 0.00 32.46 31.64 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 0.78 -0.46 7.54 0.00 -1.91 -2.78 119.26 122.43 1r6h h ALA 114 Ca 0.00 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1r6h h ALA 114 Cb 0.08 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1r6h h ALA 114 CO 0.00 -0.28 0.00 -1.00 0.00 0.00 0.00 179.25 177.97 1r6h h PRO 115 N 0.30 0.11 -0.78 0.00 0.13 -1.87 -0.92 132.00 128.98 1r6h h PRO 115 Ca 0.33 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.43 1r6h h PRO 115 Cb 0.49 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.56 1r6h h PRO 115 CO -0.39 0.07 0.38 0.28 -0.23 0.00 0.00 178.00 178.11 1r6h h VAL 116 N 0.12 1.25 -0.90 1.56 2.07 -1.85 -2.56 116.25 115.93 1r6h h VAL 116 Ca 0.23 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1r6h h VAL 116 Cb 0.33 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1r6h h VAL 116 CO -0.38 0.29 0.59 -0.07 0.02 0.00 0.00 177.57 178.02 1r6h h LEU 117 N 1.10 0.99 0.45 2.57 3.38 -1.02 0.02 115.31 122.80 1r6h h LEU 117 Ca 0.27 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1r6h h LEU 117 Cb 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1r6h h LEU 117 CO -0.04 0.69 -0.21 0.58 0.09 0.00 0.00 178.44 179.55 1r6h h VAL 118 N 1.16 0.52 0.31 1.22 2.07 -0.82 -0.86 116.25 119.85 1r6h h VAL 118 Ca 0.35 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1r6h h VAL 118 Cb -0.04 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1r6h h VAL 118 CO -0.11 0.06 -0.15 0.00 0.02 0.00 0.00 177.57 177.39 1r6h h ALA 119 N -0.36 -0.41 -0.49 1.67 0.00 -1.41 -1.10 119.26 117.15 1r6h h ALA 119 Ca -0.06 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.89 1r6h h ALA 119 Cb 0.55 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1r6h h ALA 119 CO 0.10 -0.73 0.35 -0.07 0.00 0.00 0.00 179.25 178.91 1r6h h LEU 120 N -0.43 0.03 0.02 0.00 -0.00 -1.05 -0.25 115.31 113.64 1r6h h LEU 120 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1r6h h LEU 120 Cb 0.33 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1r6h h LEU 120 CO 0.07 0.02 -0.01 0.00 -0.00 0.00 0.00 178.44 178.51 1r6h h ALA 121 N 1.75 -0.03 0.00 1.53 0.00 -0.55 -2.97 119.26 119.00 1r6h h ALA 121 Ca 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1r6h h ALA 121 Cb 0.89 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1r6h h ALA 121 CO -0.01 -0.20 0.00 -0.11 0.00 0.00 0.00 179.25 178.93 1r6h n LEU 122 N -4.81 0.01 -0.10 0.00 0.00 -0.47 -2.42 117.00 109.21 1r6h n LEU 122 Ca -0.09 0.50 0.10 0.00 0.00 0.00 0.00 56.01 56.53 1r6h n LEU 122 Cb 0.31 -0.50 0.46 0.00 0.00 0.00 0.00 43.42 43.69 1r6h n LEU 122 CO 0.32 -0.38 1.19 0.40 0.00 0.00 0.00 177.39 178.93 1r6h h ILE 123 N 0.00 0.93 0.00 1.96 2.04 -0.90 0.61 117.51 122.15 1r6h h ILE 123 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1r6h h ILE 123 Cb 0.13 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1r6h h ILE 123 CO 0.00 0.09 0.00 1.05 0.00 0.00 0.00 178.15 179.29 1r6h h GLU 124 N 0.49 0.00 -0.11 2.37 4.11 -1.65 -2.72 114.58 117.07 1r6h h GLU 124 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 1r6h h GLU 124 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1r6h h GLU 124 CO -0.08 0.00 0.00 0.43 0.07 0.00 0.00 179.01 179.43 1r6h n SER 125 N -2.54 0.11 0.00 3.06 7.64 0.21 -4.97 113.62 117.13 1r6h n SER 125 Ca -0.01 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1r6h n SER 125 Cb 0.09 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.44 1.63 3.46 0.23 0.00 -1.03 -4.94 105.19 104.99 1r6h n GLY 126 Ca 0.00 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 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 0.41 0.08 1.61 -0.00 -1.26 -4.70 117.12 113.26 1r6h n MET 127 Ca 0.00 -1.44 -0.03 0.00 -0.00 0.00 0.00 57.70 56.22 1r6h n MET 127 Cb 0.00 -3.03 -0.02 0.00 -0.00 0.00 0.00 33.22 30.17 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 10.03 -0.21 -0.12 3.17 -0.00 -1.88 0.20 116.57 127.77 1r6h h LYS 128 Ca 0.22 0.01 -0.11 0.00 -0.00 0.00 0.00 60.65 60.78 1r6h h LYS 128 Cb 0.79 0.05 -0.01 0.00 -0.00 0.00 0.00 32.23 33.05 1r6h h LYS 128 CO 1.71 -0.14 -0.39 -0.92 -0.00 0.00 0.00 179.45 179.71 1r6h h TYR 129 N -0.26 0.31 -0.01 0.07 3.20 -1.88 0.46 116.97 118.85 1r6h h TYR 129 Ca -0.02 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1r6h h TYR 129 Cb 0.17 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1r6h h TYR 129 CO 0.15 0.62 -0.04 0.93 -1.64 0.00 0.00 178.16 178.19 1r6h h GLU 130 N 0.22 0.05 -0.16 1.82 3.07 -1.94 -2.54 114.58 115.10 1r6h h GLU 130 Ca 0.02 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 1r6h h GLU 130 Cb 0.79 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1r6h h GLU 130 CO 0.06 0.65 -0.18 0.22 -1.40 0.00 0.00 179.01 178.36 1r6h h ASP 131 N -0.54 0.44 -0.13 1.42 3.58 -0.58 -0.94 116.42 119.67 1r6h h ASP 131 Ca -0.00 -0.49 0.02 0.00 0.42 0.00 0.00 57.03 56.98 1r6h h ASP 131 Cb 0.65 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 1r6h h ASP 131 CO 0.01 0.85 -0.01 0.00 -2.88 0.00 0.00 179.24 177.21 1r6h h ALA 132 N 0.61 0.11 -0.33 -0.78 0.00 -1.02 0.81 119.26 118.67 1r6h h ALA 132 Ca 0.02 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1r6h h ALA 132 Cb 0.73 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1r6h h ALA 132 CO 0.04 -0.46 -0.41 0.82 0.00 0.00 0.00 179.25 179.25 1r6h h ILE 133 N 0.03 1.28 -0.00 0.00 1.08 -1.51 -1.68 117.51 116.72 1r6h h ILE 133 Ca 0.06 -1.58 -0.00 0.00 -0.39 0.00 0.00 64.86 62.94 1r6h h ILE 133 Cb 0.08 1.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 1r6h h ILE 133 CO -0.11 0.52 -0.02 1.56 -0.69 0.00 0.00 178.15 179.41 1r6h h GLN 134 N 0.64 0.02 -0.26 2.37 1.08 -0.98 -1.52 115.11 116.45 1r6h h GLN 134 Ca 0.04 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.12 1r6h h GLN 134 Cb 1.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1r6h h GLN 134 CO 0.10 0.73 -0.28 0.74 -0.95 0.00 0.00 178.83 179.16 1r6h h PHE 135 N -0.69 0.60 -0.03 2.96 -1.00 0.54 -2.50 116.94 116.83 1r6h h PHE 135 Ca -0.00 -0.14 -0.17 0.00 2.81 0.00 0.00 57.97 60.46 1r6h h PHE 135 Cb 0.73 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 1r6h h PHE 135 CO 0.18 0.76 -0.76 0.97 -1.61 0.00 0.00 178.31 177.85 1r6h h ILE 136 N 0.46 1.45 -0.53 -0.55 2.10 -1.40 -3.08 117.51 115.97 1r6h h ILE 136 Ca 0.06 -2.33 -0.04 0.00 1.08 0.00 0.00 64.86 63.63 1r6h h ILE 136 Cb 0.73 2.26 -0.02 0.00 -1.09 0.00 0.00 36.82 38.70 1r6h h ILE 136 CO 0.06 0.68 0.17 -0.09 -1.08 0.00 0.00 178.15 177.89 1r6h h ARG 137 N 0.14 0.82 -0.54 2.19 9.65 -1.02 -2.91 114.38 122.71 1r6h h ARG 137 Ca -0.03 -0.17 0.01 0.00 -1.10 0.00 0.00 59.98 58.69 1r6h h ARG 137 Cb 1.33 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.76 1r6h h ARG 137 CO 0.12 0.75 0.35 1.96 2.80 0.00 0.00 179.97 185.95 1r6h h GLN 138 N 0.72 0.70 -6.76 0.20 4.20 -1.45 -3.42 115.11 109.30 1r6h h GLN 138 Ca 0.17 -0.04 -0.50 0.00 0.06 0.00 0.00 58.65 58.34 1r6h h GLN 138 Cb 0.27 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1r6h h GLN 138 CO -0.01 0.46 0.09 0.15 -0.67 0.00 0.00 178.83 178.86 1r6h s LYS 139 N -6.15 3.90 -0.21 1.46 3.01 -1.10 -5.01 119.74 115.64 1r6h s LYS 139 Ca -0.13 0.57 -0.29 0.00 -1.01 0.00 0.00 55.97 55.11 1r6h s LYS 139 Cb 0.13 -2.43 -0.02 0.00 -1.01 0.00 0.00 37.83 34.50 1r6h s LYS 139 CO 0.75 0.09 1.40 0.50 0.51 0.00 0.00 175.35 178.60 1r6h s ARG 140 N -3.31 4.02 0.32 1.68 3.00 -1.26 -4.83 118.95 118.57 1r6h s ARG 140 Ca 0.53 1.58 0.09 0.00 -1.00 0.00 0.00 55.73 56.92 1r6h s ARG 140 Cb -0.10 -3.89 -0.05 0.00 0.00 0.00 0.00 34.95 30.91 1r6h s ARG 140 CO 0.23 -1.00 0.02 -0.98 0.00 0.00 0.00 175.30 173.57 1r6h s ARG 141 N 4.06 2.15 0.00 5.12 1.70 -1.26 -4.30 118.95 126.43 1r6h s ARG 141 Ca 0.61 -1.65 0.00 0.00 -0.47 0.00 0.00 55.73 54.22 1r6h s ARG 141 Cb -0.22 -2.01 0.00 0.00 -0.57 0.00 0.00 34.95 32.15 1r6h s ARG 141 CO 0.22 0.19 0.00 0.41 -1.08 0.00 0.00 175.30 175.04 1r6h n GLY 142 N -0.96 -3.21 3.48 3.88 0.00 -1.26 -4.82 105.19 102.30 1r6h n GLY 142 Ca -0.04 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.05 3.04 -0.46 4.61 0.00 -1.26 -4.92 121.76 120.72 1r6h s ALA 143 Ca 0.00 -1.80 -0.23 0.00 0.00 0.00 0.00 51.96 49.93 1r6h s ALA 143 Cb 0.00 -3.97 0.03 0.00 0.00 0.00 0.00 23.12 19.18 1r6h s ALA 143 CO 0.00 -2.92 0.79 0.96 0.00 0.00 0.00 175.76 174.60 1r6h s ILE 144 N 4.37 4.63 0.00 0.00 -4.36 -1.26 -4.91 121.20 119.67 1r6h s ILE 144 Ca 0.26 0.38 0.00 0.00 -0.26 0.00 0.00 60.65 61.03 1r6h s ILE 144 Cb -0.14 -4.34 0.00 0.00 1.25 0.00 0.00 42.46 39.23 1r6h s ILE 144 CO 0.10 -0.76 0.00 0.59 0.24 0.00 0.00 174.94 175.11 1r6h n ASN 145 N 6.77 0.00 -0.08 4.36 3.02 -1.26 -4.92 115.26 123.15 1r6h n ASN 145 Ca 0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.49 1r6h n ASN 145 Cb 0.48 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 1r6h n ASN 145 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1r6h n SER 146 N -1.62 1.79 -0.05 6.41 2.88 -1.26 -4.52 113.62 117.26 1r6h n SER 146 Ca 0.00 0.31 -0.08 0.00 -1.33 0.00 0.00 58.87 57.77 1r6h n SER 146 Cb 0.00 -0.72 -0.01 0.00 -0.75 0.00 0.00 64.21 62.72 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 -0.93 -0.16 -0.03 -1.46 3.11 -1.96 0.13 116.57 115.26 1r6h h LYS 147 Ca 0.00 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.88 1r6h h LYS 147 Cb 0.92 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 32.15 1r6h h LYS 147 CO 0.00 -0.11 -0.12 0.37 -2.81 0.00 0.00 179.45 176.78 1r6h h GLN 148 N -0.17 -0.18 -0.04 1.90 -0.00 -1.93 0.58 115.11 115.28 1r6h h GLN 148 Ca 0.13 0.01 -0.23 0.00 -0.00 0.00 0.00 58.65 58.56 1r6h h GLN 148 Cb 0.37 0.04 0.02 0.00 0.00 0.00 0.00 27.48 27.91 1r6h h GLN 148 CO -0.34 -0.12 -0.88 -0.07 0.00 0.00 0.00 178.83 177.42 1r6h h LEU 149 N -0.18 0.84 -0.36 -2.39 -0.00 -1.77 -2.43 115.31 109.02 1r6h h LEU 149 Ca 0.05 -0.71 -0.16 0.00 -0.00 0.00 0.00 57.88 57.07 1r6h h LEU 149 Cb 0.26 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1r6h h LEU 149 CO -0.14 1.44 -0.38 0.74 -0.00 0.00 0.00 178.44 180.10 1r6h h THR 150 N 0.33 1.28 0.00 0.22 2.02 -0.70 -1.32 112.91 114.73 1r6h h THR 150 Ca -0.10 -1.56 -0.00 0.00 0.77 0.00 0.00 66.41 65.52 1r6h h THR 150 Cb 1.54 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1r6h h THR 150 CO 0.18 0.52 -0.00 0.22 0.37 0.00 0.00 175.52 176.80 1r6h h TYR 151 N 0.70 -0.00 -0.55 3.16 3.20 0.09 -2.31 116.97 121.25 1r6h h TYR 151 Ca 0.05 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 1r6h h TYR 151 Cb 0.98 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 1r6h h TYR 151 CO 0.07 0.27 0.05 1.25 -1.64 0.00 0.00 178.16 178.16 1r6h h LEU 152 N -0.28 0.87 -0.69 2.82 6.46 -1.48 -0.74 115.31 122.28 1r6h h LEU 152 Ca -0.00 -0.20 0.07 0.00 -0.12 0.00 0.00 57.88 57.63 1r6h h LEU 152 Cb 0.27 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 39.91 1r6h h LEU 152 CO 0.00 0.90 0.36 -0.08 -0.62 0.00 0.00 178.44 179.01 1r6h h GLU 153 N 0.85 0.63 0.00 1.25 4.81 -1.16 0.32 114.58 121.29 1r6h h GLU 153 Ca 0.17 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1r6h h GLU 153 Cb 0.43 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1r6h h GLU 153 CO 0.01 0.42 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.27 1r6h h LYS 154 N 0.65 0.00 -0.16 1.92 3.11 -0.97 -2.74 116.57 118.37 1r6h h LYS 154 Ca 0.32 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 58.09 1r6h h LYS 154 Cb 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 1r6h h LYS 154 CO -0.22 0.23 -0.23 -0.92 -2.81 0.00 0.00 179.45 175.49 1r6h h TYR 155 N 0.00 0.31 -3.62 1.91 5.03 0.11 -3.40 116.97 117.31 1r6h h TYR 155 Ca -0.00 -0.05 -0.66 0.00 2.58 0.00 0.00 58.73 60.59 1r6h h TYR 155 Cb 0.70 -0.08 -0.23 0.00 1.55 0.00 0.00 36.73 38.66 1r6h h TYR 155 CO 0.00 0.50 -0.62 0.50 -1.32 0.00 0.00 178.16 177.23 1r6h s ARG 156 N -4.51 3.50 0.63 1.82 3.52 -0.66 -5.01 118.95 118.24 1r6h s ARG 156 Ca -0.05 -0.59 -0.16 0.00 -0.13 0.00 0.00 55.73 54.80 1r6h s ARG 156 Cb 0.14 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 30.17 1r6h s ARG 156 CO 0.75 -0.27 1.13 -1.25 -0.81 0.00 0.00 175.30 174.85 1r6h s PRO 157 N 1.59 2.90 -0.04 5.12 0.04 -1.26 -4.90 135.00 138.45 1r6h s PRO 157 Ca 0.05 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.57 1r6h s PRO 157 Cb -0.16 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.46 1r6h s PRO 157 CO 0.03 -1.19 0.03 0.15 0.04 0.00 0.00 177.00 176.06 1r6h s LYS 158 N -3.84 0.22 0.59 4.56 1.02 -1.26 -5.01 119.74 116.02 1r6h s LYS 158 Ca 0.69 0.21 0.40 0.00 0.02 0.00 0.00 55.97 57.29 1r6h s LYS 158 Cb -0.22 -0.61 2.14 0.00 -0.52 0.00 0.00 37.83 38.62 1r6h s LYS 158 CO 0.38 -0.26 2.22 1.96 -0.92 0.00 0.00 175.35 178.73 1r6h h GLN 159 N 8.00 0.00 -0.93 1.68 4.20 -1.98 -2.21 115.11 123.88 1r6h h GLN 159 Ca -0.25 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.50 1r6h h GLN 159 Cb 1.12 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.85 1r6h h GLN 159 CO 0.29 0.00 0.61 -0.09 -0.67 0.00 0.00 178.83 178.97 1r6h h ARG 160 N 0.00 1.14 0.09 1.46 9.65 -2.00 -2.74 114.38 121.98 1r6h h ARG 160 Ca 0.00 -0.07 -0.31 0.00 -1.10 0.00 0.00 59.98 58.50 1r6h h ARG 160 Cb 0.02 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.33 1r6h h ARG 160 CO 0.00 0.75 -1.61 1.25 2.80 0.00 0.00 179.97 183.16 1r6h h LEU 161 N 1.17 0.30 -8.58 3.80 5.85 -1.84 -3.44 115.31 112.58 1r6h h LEU 161 Ca 0.37 -0.48 -0.69 0.00 0.84 0.00 0.00 57.88 57.92 1r6h h LEU 161 Cb 0.01 -0.10 -0.21 0.00 0.37 0.00 0.00 40.66 40.72 1r6h h LEU 161 CO -0.11 1.41 -0.51 -0.13 -0.34 0.00 0.00 178.44 178.76 1r6h s ARG 162 N -2.61 3.26 -0.25 1.25 3.00 -1.03 -5.06 118.95 117.52 1r6h s ARG 162 Ca -0.10 -0.79 -0.29 0.00 0.00 0.00 0.00 55.73 54.55 1r6h s ARG 162 Cb 0.07 -3.73 0.00 0.00 0.00 0.00 0.00 34.95 31.30 1r6h s ARG 162 CO 0.83 -0.51 1.16 0.12 0.00 0.00 0.00 175.30 176.90 1r6h s PHE 163 N 1.65 3.04 -0.29 -0.53 2.19 -1.26 -4.53 117.98 118.26 1r6h s PHE 163 Ca 0.05 1.17 -0.19 0.00 0.33 0.00 0.00 56.93 58.29 1r6h s PHE 163 Cb -0.18 -3.55 0.13 0.00 -1.31 0.00 0.00 43.02 38.11 1r6h s PHE 163 CO 0.08 -1.11 0.95 0.15 1.83 0.00 0.00 175.22 177.12 1r6h s LYS 164 N 3.57 0.47 0.15 10.12 1.02 -1.26 -5.16 119.74 128.65 1r6h s LYS 164 Ca 0.49 0.73 -0.27 0.00 0.02 0.00 0.00 55.97 56.94 1r6h s LYS 164 Cb -0.16 0.14 -0.07 0.00 -0.52 0.00 0.00 37.83 37.22 1r6h s LYS 164 CO 0.14 -0.08 0.85 -0.51 -0.92 0.00 0.00 175.35 174.82 1r6h s ASP 165 N 1.02 7.45 -0.00 2.83 1.11 -1.26 -4.99 116.67 122.82 1r6h s ASP 165 Ca -0.05 1.72 -0.23 0.00 0.18 0.00 0.00 52.55 54.16 1r6h s ASP 165 Cb -0.04 -2.54 -0.19 0.00 1.07 0.00 0.00 42.92 41.22 1r6h s ASP 165 CO -0.13 0.11 1.22 1.55 1.18 0.00 0.00 175.17 179.11 1r6h h PRO 166 N 4.75 0.22 -5.32 8.23 0.13 -2.02 -3.49 132.00 134.49 1r6h h PRO 166 Ca -0.45 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1r6h h PRO 166 Cb 1.21 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 1r6h h PRO 166 CO 0.68 0.74 -1.13 1.58 -0.23 0.00 0.00 178.00 179.64 1r6h n HIS 167 N -4.60 -3.40 -3.69 1.56 -0.00 -1.26 -5.05 115.22 98.78 1r6h n HIS 167 Ca -0.08 1.73 -0.16 0.00 0.46 0.00 0.00 57.72 59.68 1r6h n HIS 167 Cb 0.38 -3.39 -0.15 0.00 -0.12 0.00 0.00 29.99 26.71 1r6h n HIS 167 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1r6h s THR 168 N -1.08 -0.21 0.05 3.57 -4.23 -1.26 -5.00 115.64 107.49 1r6h s THR 168 Ca -0.11 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1r6h s THR 168 Cb 0.01 -0.29 0.00 0.00 1.34 0.00 0.00 72.50 73.55 1r6h s THR 168 CO 0.63 0.12 0.00 1.57 -0.54 0.00 0.00 174.62 176.41 1r6h n HIS 169 N 4.98 -2.19 -2.69 3.99 -0.00 -1.26 -5.12 115.22 112.93 1r6h n HIS 169 Ca -0.11 0.17 -0.01 0.00 0.46 0.00 0.00 57.72 58.22 1r6h n HIS 169 Cb 0.50 0.84 -0.01 0.00 -0.12 0.00 0.00 29.99 31.20 1r6h n HIS 169 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1r6h n LYS 170 N -2.62 -3.79 0.00 1.57 4.81 -1.26 -5.02 118.16 111.85 1r6h n LYS 170 Ca 0.00 2.97 0.00 0.00 -0.87 0.00 0.00 58.31 60.41 1r6h n LYS 170 Cb 0.00 -5.34 0.00 0.00 0.02 0.00 0.00 35.03 29.71 1r6h n LYS 170 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1r6h n THR 171 N 0.94 0.00 1.02 3.15 5.66 -1.26 -5.36 114.28 118.44 1r6h n THR 171 Ca -0.10 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 60.98 1r6h n THR 171 Cb 0.15 -0.78 0.49 0.00 -1.55 0.00 0.00 70.33 68.64 1r6h n THR 171 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88