#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 3.99 -0.09 1.61 0.01 -1.26 -5.04 113.70 112.91 1r6h s SER 2 Ca 0.00 0.28 -0.00 0.00 1.31 0.00 0.00 55.95 57.54 1r6h s SER 2 Cb 0.00 -0.61 -0.06 0.00 0.21 0.00 0.00 66.02 65.56 1r6h s SER 2 CO 0.00 -2.15 -0.09 1.41 0.41 0.00 0.00 173.24 172.82 1r6h n HIS 3 N -3.31 0.00 0.13 2.43 8.25 -1.26 -4.63 115.22 116.83 1r6h n HIS 3 Ca 0.12 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.60 1r6h n HIS 3 Cb 0.60 -0.36 0.36 0.00 1.12 0.00 0.00 29.99 31.71 1r6h n HIS 3 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1r6h h MET 4 N -0.05 0.18 0.00 -0.41 2.07 -2.07 -3.44 114.93 111.21 1r6h h MET 4 Ca -0.22 -0.05 -0.62 0.00 -2.07 0.00 0.00 59.70 56.74 1r6h h MET 4 Cb 1.31 -0.02 -0.12 0.00 -1.87 0.00 0.00 31.60 30.91 1r6h h MET 4 CO -0.05 0.41 -0.45 0.00 1.07 0.00 0.00 176.91 177.89 1r6h n ALA 5 N -2.48 0.42 0.02 6.32 0.00 -1.26 -5.10 120.51 118.42 1r6h n ALA 5 Ca -0.01 -2.15 0.00 0.00 0.00 0.00 0.00 53.44 51.28 1r6h n ALA 5 Cb 0.33 1.16 0.00 0.00 0.00 0.00 0.00 19.45 20.94 1r6h n ALA 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1r6h n ARG 6 N -1.21 0.00 -4.42 0.00 5.12 -1.26 -4.64 116.66 110.25 1r6h n ARG 6 Ca -0.19 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.40 1r6h n ARG 6 Cb 0.60 -0.04 -0.10 0.00 -1.16 0.00 0.00 32.46 31.77 1r6h n ARG 6 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1r6h s MET 7 N -1.19 2.63 -0.20 5.56 1.75 -1.26 -4.89 119.30 121.71 1r6h s MET 7 Ca 0.00 -0.68 -0.04 0.00 -1.25 0.00 0.00 55.69 53.72 1r6h s MET 7 Cb 0.00 -2.56 0.10 0.00 2.84 0.00 0.00 34.83 35.21 1r6h s MET 7 CO 0.00 0.61 0.34 -0.80 -0.65 0.00 0.00 175.02 174.52 1r6h s ASN 8 N -1.42 0.30 -0.52 1.11 0.01 -1.26 -5.10 114.94 108.07 1r6h s ASN 8 Ca 0.17 0.45 0.04 0.00 -0.71 0.00 0.00 52.86 52.82 1r6h s ASN 8 Cb -0.11 0.97 0.13 0.00 0.41 0.00 0.00 41.25 42.64 1r6h s ASN 8 CO 0.08 -0.27 0.26 -0.13 -1.51 0.00 0.00 177.10 175.53 1r6h s ARG 9 N 2.50 1.98 -0.23 -0.60 0.52 -1.26 -5.08 118.95 116.78 1r6h s ARG 9 Ca 0.05 -2.60 -0.29 0.00 -0.52 0.00 0.00 55.73 52.38 1r6h s ARG 9 Cb -0.14 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 1r6h s ARG 9 CO -0.13 -1.11 1.69 -1.25 0.02 0.00 0.00 175.30 174.53 1r6h s PRO 10 N -0.24 3.69 0.64 3.54 0.04 -1.26 -5.00 135.00 136.41 1r6h s PRO 10 Ca 0.17 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 62.75 1r6h s PRO 10 Cb -0.26 -4.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.18 1r6h s PRO 10 CO -0.00 -1.42 1.04 0.00 0.04 0.00 0.00 177.00 176.66 1r6h s ALA 11 N 5.62 2.83 0.82 8.56 0.00 -1.26 -4.79 121.76 133.54 1r6h s ALA 11 Ca 0.75 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 1r6h s ALA 11 Cb -0.25 -3.16 0.08 0.00 0.00 0.00 0.00 23.12 19.79 1r6h s ALA 11 CO 0.31 -0.91 1.09 -1.25 0.00 0.00 0.00 175.76 175.00 1r6h s PRO 12 N -4.75 1.88 -0.08 0.00 0.04 -1.26 -4.94 135.00 125.89 1r6h s PRO 12 Ca 0.59 0.84 -0.03 0.00 0.04 0.00 0.00 61.00 62.43 1r6h s PRO 12 Cb -0.13 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1r6h s PRO 12 CO 0.48 -1.82 0.17 0.08 0.04 0.00 0.00 177.00 175.95 1r6h s VAL 13 N -3.01 -0.12 -0.28 -0.36 1.01 -0.12 -4.96 120.40 112.55 1r6h s VAL 13 Ca 0.62 0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.73 1r6h s VAL 13 Cb -0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1r6h s VAL 13 CO 0.56 0.09 0.15 -1.83 0.00 0.00 0.00 175.10 174.07 1r6h s GLU 14 N 1.55 3.67 -0.26 2.72 -1.05 -1.26 0.78 118.70 124.84 1r6h s GLU 14 Ca -0.05 -0.50 -0.07 0.00 -0.15 0.00 0.00 54.97 54.20 1r6h s GLU 14 Cb -0.12 -3.55 -0.02 0.00 -0.44 0.00 0.00 34.13 30.01 1r6h s GLU 14 CO -0.06 -0.27 0.07 0.08 0.95 0.00 0.00 175.26 176.03 1r6h s VAL 15 N 1.68 4.22 0.01 1.83 1.01 -0.47 -4.87 120.40 123.80 1r6h s VAL 15 Ca 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 1r6h s VAL 15 Cb -0.16 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1r6h s VAL 15 CO 0.08 0.26 0.02 -0.94 0.00 0.00 0.00 175.10 174.52 1r6h s SER 16 N 1.58 0.17 -0.16 3.32 1.04 -1.26 0.12 113.70 118.51 1r6h s SER 16 Ca 0.05 -0.39 -0.06 0.00 0.48 0.00 0.00 55.95 56.04 1r6h s SER 16 Cb -0.16 0.12 0.08 0.00 0.10 0.00 0.00 66.02 66.17 1r6h s SER 16 CO 0.03 -0.30 0.34 -0.72 0.98 0.00 0.00 173.24 173.58 1r6h s TYR 17 N -1.34 -0.61 0.00 5.02 1.13 -1.10 -5.00 117.35 115.45 1r6h s TYR 17 Ca -0.15 1.25 0.00 0.00 -1.41 0.00 0.00 57.07 56.77 1r6h s TYR 17 Cb -0.09 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 40.91 1r6h s TYR 17 CO -0.00 -0.42 0.00 1.63 -2.51 0.00 0.00 175.55 174.25 1r6h n LYS 18 N 5.35 0.00 0.00 -3.49 4.76 -1.26 -3.84 118.16 119.67 1r6h n LYS 18 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 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 0.72 -1.37 0.00 0.00 177.40 176.75 1r6h n HIS 19 N 0.00 0.00 -1.46 2.13 8.25 -1.26 -5.09 115.22 117.78 1r6h n HIS 19 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1r6h n HIS 19 Cb 0.00 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.20 1r6h n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r6h s MET 20 N -1.53 2.05 0.14 -0.41 0.23 -1.25 -4.81 119.30 113.72 1r6h s MET 20 Ca 0.00 0.76 -0.07 0.00 -1.03 0.00 0.00 55.69 55.35 1r6h s MET 20 Cb 0.00 -1.90 -0.01 0.00 -1.53 0.00 0.00 34.83 31.38 1r6h s MET 20 CO 0.00 -1.67 0.21 1.03 -2.03 0.00 0.00 175.02 172.55 1r6h s ARG 21 N -5.08 1.03 0.07 3.16 0.52 -1.22 -2.69 118.95 114.75 1r6h s ARG 21 Ca 0.61 -1.19 0.02 0.00 -0.52 0.00 0.00 55.73 54.65 1r6h s ARG 21 Cb -0.15 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.62 1r6h s ARG 21 CO 0.55 -0.35 -0.07 -0.06 0.02 0.00 0.00 175.30 175.39 1r6h s PHE 22 N -3.96 0.81 -0.11 -0.53 0.08 0.33 -3.46 117.98 111.14 1r6h s PHE 22 Ca 0.16 -0.72 0.02 0.00 0.12 0.00 0.00 56.93 56.50 1r6h s PHE 22 Cb 0.05 -0.47 0.02 0.00 -0.57 0.00 0.00 43.02 42.04 1r6h s PHE 22 CO -0.02 -0.11 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.33 1r6h s LEU 23 N -2.37 1.71 -0.40 -0.37 2.01 0.93 -1.37 118.68 118.81 1r6h s LEU 23 Ca 0.02 -0.43 -0.09 0.00 0.01 0.00 0.00 54.13 53.64 1r6h s LEU 23 Cb -0.02 -1.09 0.06 0.00 0.01 0.00 0.00 46.19 45.15 1r6h s LEU 23 CO -0.02 0.01 0.23 -0.63 1.01 0.00 0.00 176.35 176.94 1r6h s ILE 24 N 1.05 4.28 0.24 -0.59 -1.09 0.23 0.95 121.20 126.27 1r6h s ILE 24 Ca -0.05 -1.22 0.04 0.00 -2.23 0.00 0.00 60.65 57.18 1r6h s ILE 24 Cb -0.15 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 1r6h s ILE 24 CO -0.03 -0.40 -0.01 0.42 -1.23 0.00 0.00 174.94 173.70 1r6h s THR 25 N 1.46 1.08 0.45 2.92 -4.23 0.16 -0.95 115.64 116.52 1r6h s THR 25 Ca 0.02 -2.04 -0.17 0.00 -1.18 0.00 0.00 61.69 58.33 1r6h s THR 25 Cb -0.22 -2.36 -0.09 0.00 1.34 0.00 0.00 72.50 71.17 1r6h s THR 25 CO 0.03 -0.31 0.91 -1.38 -0.54 0.00 0.00 174.62 173.33 1r6h s HIS 26 N -3.39 3.40 0.74 3.99 -3.43 -1.26 0.21 115.29 115.55 1r6h s HIS 26 Ca 0.29 1.42 -0.15 0.00 -0.80 0.00 0.00 55.06 55.82 1r6h s HIS 26 Cb 0.06 -2.73 0.04 0.00 -1.43 0.00 0.00 32.58 28.52 1r6h s HIS 26 CO 0.09 -0.20 1.21 1.21 -2.00 0.00 0.00 174.74 175.05 1r6h s ASN 27 N -2.72 4.14 0.31 7.38 2.47 -1.26 -4.86 114.94 120.40 1r6h s ASN 27 Ca 0.58 2.35 -0.29 0.00 0.42 0.00 0.00 52.86 55.92 1r6h s ASN 27 Cb -0.10 -2.59 -0.13 0.00 -1.45 0.00 0.00 41.25 36.99 1r6h s ASN 27 CO 0.24 -2.30 1.30 -2.65 -3.72 0.00 0.00 177.10 169.98 1r6h n PRO 28 N -2.78 2.04 -3.81 0.43 -0.02 -1.26 -4.99 135.00 124.60 1r6h n PRO 28 Ca 0.13 0.72 -0.37 0.00 -2.02 0.00 0.00 63.50 61.96 1r6h n PRO 28 Cb 0.50 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 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 -0.77 5.43 -0.96 3.45 -4.23 -1.26 -4.98 115.64 112.31 1r6h s THR 29 Ca 0.60 0.32 0.09 0.00 -1.18 0.00 0.00 61.69 61.51 1r6h s THR 29 Cb -0.60 -3.46 0.08 0.00 1.34 0.00 0.00 72.50 69.86 1r6h s THR 29 CO 0.58 0.61 1.29 -3.20 -0.54 0.00 0.00 174.62 173.35 1r6h n ASN 30 N 2.02 0.04 -0.05 3.99 2.85 -1.26 -2.69 115.26 120.16 1r6h n ASN 30 Ca -0.19 0.51 -0.10 0.00 -0.11 0.00 0.00 54.58 54.69 1r6h n ASN 30 Cb 0.54 -0.52 -0.15 0.00 1.24 0.00 0.00 39.78 40.90 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 -1.52 1.45 -3.46 5.20 0.00 -1.26 -4.78 120.51 116.14 1r6h n ALA 31 Ca 0.02 -0.94 -0.29 0.00 0.00 0.00 0.00 53.44 52.23 1r6h n ALA 31 Cb 0.10 -0.61 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 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 0.17 -0.14 0.00 -4.23 -1.10 -4.99 115.64 102.80 1r6h s THR 32 Ca -0.09 -1.80 -0.22 0.00 -1.18 0.00 0.00 61.69 58.40 1r6h s THR 32 Cb 0.07 -1.14 -0.20 0.00 1.34 0.00 0.00 72.50 72.58 1r6h s THR 32 CO 0.81 -1.01 0.56 -0.07 -0.54 0.00 0.00 174.62 174.38 1r6h h LEU 33 N 6.88 0.00 -1.14 4.79 -0.00 -1.87 -3.29 115.31 120.69 1r6h h LEU 33 Ca 0.08 -0.75 0.10 0.00 -0.00 0.00 0.00 57.88 57.31 1r6h h LEU 33 Cb 0.96 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.56 1r6h h LEU 33 CO 0.27 0.92 0.60 -1.28 -0.00 0.00 0.00 178.44 178.95 1r6h h SER 34 N -1.00 0.86 -0.13 -0.43 0.87 -1.94 -1.00 113.55 110.78 1r6h h SER 34 Ca -0.02 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1r6h h SER 34 Cb 0.81 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1r6h h SER 34 CO -0.01 0.50 -0.07 0.74 -0.53 0.00 0.00 176.83 177.46 1r6h h THR 35 N 0.95 1.20 0.00 2.23 2.02 -1.98 -2.38 112.91 114.95 1r6h h THR 35 Ca 0.43 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 1r6h h THR 35 Cb 0.39 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1r6h h THR 35 CO -0.19 0.28 -0.21 0.15 0.37 0.00 0.00 175.52 175.92 1r6h h PHE 36 N 0.41 0.21 -0.80 3.16 3.04 -1.29 -2.66 116.94 119.01 1r6h h PHE 36 Ca 0.08 -0.11 0.07 0.00 3.98 0.00 0.00 57.97 61.99 1r6h h PHE 36 Cb 0.38 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.82 1r6h h PHE 36 CO 0.01 0.93 0.52 -0.84 -2.02 0.00 0.00 178.31 176.91 1r6h h ILE 37 N -0.57 1.03 0.15 1.41 3.07 -1.28 0.41 117.51 121.74 1r6h h ILE 37 Ca -0.03 -0.29 -0.01 0.00 1.55 0.00 0.00 64.86 66.08 1r6h h ILE 37 Cb 0.99 0.10 0.00 0.00 -0.27 0.00 0.00 36.82 37.64 1r6h h ILE 37 CO 0.04 0.16 -0.07 -0.33 -1.05 0.00 0.00 178.15 176.89 1r6h h GLU 38 N 0.85 -0.20 0.00 0.16 5.08 -1.49 -1.12 114.58 117.88 1r6h h GLU 38 Ca 0.35 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1r6h h GLU 38 Cb 0.26 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1r6h h GLU 38 CO -0.12 0.11 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.56 1r6h h ASP 39 N -0.51 -0.00 -0.98 1.42 3.32 -1.07 0.83 116.42 119.43 1r6h h ASP 39 Ca -0.02 -0.39 0.09 0.00 0.02 0.00 0.00 57.03 56.72 1r6h h ASP 39 Cb 0.40 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.88 1r6h h ASP 39 CO 0.03 0.39 0.63 -0.07 -1.72 0.00 0.00 179.24 178.50 1r6h h LEU 40 N -0.40 0.95 0.00 1.55 3.38 -0.28 -0.04 115.31 120.47 1r6h h LEU 40 Ca -0.00 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1r6h h LEU 40 Cb 0.40 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1r6h h LEU 40 CO 0.00 0.57 -0.81 0.50 0.09 0.00 0.00 178.44 178.78 1r6h h LYS 41 N 1.05 0.00 -0.78 1.13 3.11 -1.14 -3.31 116.57 116.63 1r6h h LYS 41 Ca 0.45 0.00 0.09 0.00 -2.81 0.00 0.00 60.65 58.38 1r6h h LYS 41 Cb 0.32 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.48 1r6h h LYS 41 CO -0.20 0.61 0.43 -0.22 -2.81 0.00 0.00 179.45 177.26 1r6h h LYS 42 N 0.00 0.70 -0.66 1.90 3.64 0.27 -1.25 116.57 121.17 1r6h h LYS 42 Ca -0.04 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1r6h h LYS 42 Cb 1.55 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.18 1r6h h LYS 42 CO 0.08 0.47 0.21 -0.92 -2.27 0.00 0.00 179.45 177.02 1r6h h TYR 43 N 0.72 1.03 0.00 1.91 5.03 -1.56 -3.48 116.97 120.62 1r6h h TYR 43 Ca 0.38 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.60 1r6h h TYR 43 Cb 0.35 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.33 1r6h h TYR 43 CO -0.08 0.82 0.00 0.41 -1.32 0.00 0.00 178.16 177.99 1r6h n GLY 44 N -0.86 -2.35 2.87 1.82 0.00 -0.47 -4.96 105.19 101.24 1r6h n GLY 44 Ca 0.05 -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 0.02 4.61 0.00 -1.25 -4.40 121.76 120.15 1r6h s ALA 45 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1r6h s ALA 45 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1r6h s ALA 45 CO 0.00 -0.58 0.06 2.41 0.00 0.00 0.00 175.76 177.65 1r6h n THR 46 N 4.96 0.00 -1.11 0.00 -1.04 0.12 -4.13 114.28 113.08 1r6h n THR 46 Ca -0.11 -0.05 -0.32 0.00 -2.04 0.00 0.00 64.05 61.53 1r6h n THR 46 Cb 0.49 0.06 0.12 0.00 -1.82 0.00 0.00 70.33 69.18 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 -2.72 2.69 -0.01 12.58 -1.32 -1.25 -4.12 115.64 121.48 1r6h s THR 47 Ca 0.01 0.25 0.01 0.00 -1.21 0.00 0.00 61.69 60.75 1r6h s THR 47 Cb -0.00 -2.57 0.01 0.00 -1.51 0.00 0.00 72.50 68.42 1r6h s THR 47 CO 0.01 -0.27 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.42 1r6h s VAL 48 N -2.62 0.35 -0.34 5.08 1.01 0.34 -2.56 120.40 121.66 1r6h s VAL 48 Ca 0.66 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.50 1r6h s VAL 48 Cb -0.21 -0.34 0.08 0.00 0.00 0.00 0.00 36.38 35.91 1r6h s VAL 48 CO 0.54 0.13 0.06 0.54 0.00 0.00 0.00 175.10 176.37 1r6h s VAL 49 N 0.25 2.85 -0.29 2.92 0.11 -0.58 0.27 120.40 125.92 1r6h s VAL 49 Ca -0.03 -1.83 -0.02 0.00 -2.93 0.00 0.00 61.98 57.18 1r6h s VAL 49 Cb -0.06 -2.84 0.04 0.00 -1.53 0.00 0.00 36.38 32.00 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 1.13 2.51 -0.68 1.54 1.70 -1.12 -2.37 118.95 121.66 1r6h s ARG 50 Ca 0.02 -1.21 -0.08 0.00 -0.47 0.00 0.00 55.73 54.00 1r6h s ARG 50 Cb -0.21 -3.16 0.18 0.00 -0.57 0.00 0.00 34.95 31.20 1r6h s ARG 50 CO -0.04 -0.58 0.55 0.08 -1.08 0.00 0.00 175.30 174.23 1r6h s VAL 51 N 1.27 4.48 0.29 4.99 1.01 -1.26 -2.13 120.40 129.05 1r6h s VAL 51 Ca -0.04 -2.64 -0.18 0.00 0.00 0.00 0.00 61.98 59.12 1r6h s VAL 51 Cb -0.19 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1r6h s VAL 51 CO -0.01 -0.92 0.67 0.00 0.00 0.00 0.00 175.10 174.83 1r6h s GLU 53 N -3.73 4.24 -0.13 0.00 0.41 -1.26 -4.08 118.70 114.16 1r6h s GLU 53 Ca 0.15 2.30 -0.29 0.00 -0.41 0.00 0.00 54.97 56.72 1r6h s GLU 53 Cb -0.05 -3.17 -0.02 0.00 -1.78 0.00 0.00 34.13 29.12 1r6h s GLU 53 CO 0.08 -0.56 1.21 0.08 -0.49 0.00 0.00 175.26 175.58 1r6h s VAL 54 N 1.02 4.33 0.00 2.63 1.01 -1.26 -4.87 120.40 123.27 1r6h s VAL 54 Ca 0.68 1.63 0.00 0.00 0.00 0.00 0.00 61.98 64.29 1r6h s VAL 54 Cb -0.42 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 31.91 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 5.04 0.00 -3.65 3.92 -2.24 -1.26 -4.94 114.28 111.15 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 2.12 0.07 4.78 2.02 -1.26 -4.96 117.35 118.12 1r6h s TYR 56 Ca 0.00 -2.65 -0.08 0.00 -0.37 0.00 0.00 57.07 53.97 1r6h s TYR 56 Cb 0.00 -1.77 -0.29 0.00 -0.40 0.00 0.00 41.96 39.50 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 1.82 -1.99 -3.37 116.42 121.75 1r6h h ASP 57 Ca 0.14 -0.60 -0.05 0.00 -0.39 0.00 0.00 57.03 56.12 1r6h h ASP 57 Cb 0.87 -0.19 0.01 0.00 0.68 0.00 0.00 39.33 40.70 1r6h h ASP 57 CO 0.51 1.46 -0.21 0.07 -1.61 0.00 0.00 179.24 179.46 1r6h h LYS 58 N 0.12 0.08 -0.58 0.28 -0.00 -1.99 -3.18 116.57 111.31 1r6h h LYS 58 Ca -0.17 -0.13 0.10 0.00 -0.00 0.00 0.00 60.65 60.45 1r6h h LYS 58 Cb 1.99 0.05 -0.11 0.00 -0.00 0.00 0.00 32.23 34.15 1r6h h LYS 58 CO 0.22 1.03 -0.34 1.15 -0.00 0.00 0.00 179.45 181.52 1r6h h THR 59 N -0.80 0.17 -0.14 0.07 2.02 -1.98 0.50 112.91 112.75 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 1.13 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1r6h h THR 59 CO 0.04 0.00 -0.60 -0.65 0.37 0.00 0.00 175.52 174.68 1r6h h PRO 60 N -0.17 0.66 -0.36 6.66 0.11 -1.74 -2.53 132.00 134.63 1r6h h PRO 60 Ca 0.23 -0.52 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1r6h h PRO 60 Cb 0.55 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 1r6h h PRO 60 CO -0.68 1.14 0.13 -0.07 -0.21 0.00 0.00 178.00 178.31 1r6h h LEU 61 N 0.33 0.51 -0.51 2.35 -0.00 -1.46 -0.87 115.31 115.67 1r6h h LEU 61 Ca -0.03 -0.19 -0.14 0.00 -0.00 0.00 0.00 57.88 57.52 1r6h h LEU 61 Cb 1.23 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.74 1r6h h LEU 61 CO 0.13 0.57 -0.66 -0.33 -0.00 0.00 0.00 178.44 178.14 1r6h h GLU 62 N 0.43 0.00 0.03 1.13 5.08 -1.02 0.26 114.58 120.49 1r6h h GLU 62 Ca 0.12 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.22 1r6h h GLU 62 Cb 0.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1r6h h GLU 62 CO -0.01 0.66 -1.04 0.87 -1.00 0.00 0.00 179.01 178.49 1r6h h LYS 63 N 0.00 0.54 0.00 2.33 1.57 -1.32 -3.33 116.57 116.36 1r6h h LYS 63 Ca -0.01 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1r6h h LYS 63 Cb 1.27 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1r6h h LYS 63 CO 0.09 1.23 -1.11 -0.40 -0.57 0.00 0.00 179.45 178.69 1r6h n ASP 64 N -3.78 0.82 -1.85 0.86 5.68 -0.34 -4.93 116.55 113.01 1r6h n ASP 64 Ca -0.09 -0.77 -0.10 0.00 -0.50 0.00 0.00 54.79 53.33 1r6h n ASP 64 Cb 0.88 1.18 -0.03 0.00 -1.14 0.00 0.00 41.12 42.02 1r6h n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r6h n GLY 65 N 1.44 0.28 3.88 6.12 0.00 0.91 -4.92 105.19 112.90 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 -2.18 5.11 0.00 -0.61 1.01 -1.25 -5.06 121.20 118.22 1r6h s ILE 66 Ca 0.00 0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 1r6h s ILE 66 Cb 0.00 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1r6h s ILE 66 CO 0.00 0.15 1.05 0.42 0.00 0.00 0.00 174.94 176.56 1r6h s THR 67 N -1.55 4.61 0.03 2.92 -4.23 -1.26 -4.90 115.64 111.26 1r6h s THR 67 Ca 0.38 1.87 -0.07 0.00 -1.18 0.00 0.00 61.69 62.69 1r6h s THR 67 Cb -0.13 -4.20 -0.00 0.00 1.34 0.00 0.00 72.50 69.51 1r6h s THR 67 CO 0.21 0.12 0.14 0.54 -0.54 0.00 0.00 174.62 175.10 1r6h s VAL 68 N 1.21 0.11 -0.17 2.29 0.11 -1.26 -0.51 120.40 122.18 1r6h s VAL 68 Ca 0.54 -0.88 -0.07 0.00 -2.93 0.00 0.00 61.98 58.63 1r6h s VAL 68 Cb -0.23 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1r6h s VAL 68 CO 0.27 -0.49 0.06 -0.69 -3.33 0.00 0.00 175.10 170.93 1r6h s VAL 69 N -2.15 4.82 -0.44 2.04 1.01 0.14 -4.89 120.40 120.94 1r6h s VAL 69 Ca -0.09 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 1r6h s VAL 69 Cb -0.03 -3.16 0.06 0.00 0.00 0.00 0.00 36.38 33.24 1r6h s VAL 69 CO -0.02 0.48 0.34 -0.62 0.00 0.00 0.00 175.10 175.28 1r6h s ASP 70 N 0.18 6.05 -0.39 3.32 -1.08 -1.26 -2.81 116.67 120.67 1r6h s ASP 70 Ca 0.05 -1.21 -0.05 0.00 -0.52 0.00 0.00 52.55 50.82 1r6h s ASP 70 Cb -0.12 -2.14 0.09 0.00 -1.46 0.00 0.00 42.92 39.28 1r6h s ASP 70 CO 0.00 -0.56 0.19 0.26 0.52 0.00 0.00 175.17 175.58 1r6h s TRP 71 N 1.62 3.42 0.28 -5.34 0.52 -0.90 -5.05 118.94 113.49 1r6h s TRP 71 Ca 0.04 -1.95 0.07 0.00 0.02 0.00 0.00 56.10 54.28 1r6h s TRP 71 Cb -0.22 -2.91 -0.03 0.00 -1.15 0.00 0.00 33.47 29.15 1r6h s TRP 71 CO 0.07 -0.89 0.23 -1.25 0.02 0.00 0.00 176.95 175.13 1r6h s PRO 72 N 1.28 2.87 -0.38 4.98 0.04 -1.26 -0.91 135.00 141.62 1r6h s PRO 72 Ca 0.04 -1.13 0.02 0.00 0.04 0.00 0.00 61.00 59.97 1r6h s PRO 72 Cb -0.22 -2.54 0.11 0.00 0.04 0.00 0.00 34.50 31.89 1r6h s PRO 72 CO -0.01 0.30 0.14 0.12 0.04 0.00 0.00 177.00 177.59 1r6h s PHE 73 N -2.19 2.58 0.00 0.56 2.19 -1.26 -4.65 117.98 115.20 1r6h s PHE 73 Ca 0.36 -2.48 0.00 0.00 0.33 0.00 0.00 56.93 55.13 1r6h s PHE 73 Cb -0.07 -2.27 0.00 0.00 -1.31 0.00 0.00 43.02 39.37 1r6h s PHE 73 CO 0.26 -0.85 0.00 -3.47 1.83 0.00 0.00 175.22 172.98 1r6h n ASP 74 N 4.09 0.00 0.23 6.13 2.03 -1.26 -4.95 116.55 122.82 1r6h n ASP 74 Ca 0.03 -0.09 0.18 0.00 0.52 0.00 0.00 54.79 55.43 1r6h n ASP 74 Cb 0.39 0.00 0.85 0.00 -0.72 0.00 0.00 41.12 41.63 1r6h n ASP 74 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1r6h h ASP 75 N 0.00 0.00 -2.06 1.67 3.58 -2.07 -2.47 116.42 115.06 1r6h h ASP 75 Ca 0.00 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.84 1r6h h ASP 75 Cb 0.00 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 40.65 1r6h h ASP 75 CO 0.00 0.00 -0.48 0.61 -2.88 0.00 0.00 179.24 176.49 1r6h n GLY 76 N -1.33 5.77 2.73 -0.78 0.00 -1.26 -4.97 105.19 105.35 1r6h n GLY 76 Ca 0.01 -2.76 -0.29 0.00 0.00 0.00 0.00 46.02 42.98 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 -3.58 1.38 -0.29 4.61 0.00 -0.93 -4.95 121.76 118.00 1r6h s ALA 77 Ca 0.48 -1.40 -0.28 0.00 0.00 0.00 0.00 51.96 50.76 1r6h s ALA 77 Cb 0.31 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1r6h s ALA 77 CO -0.16 -1.53 2.13 -2.14 0.00 0.00 0.00 175.76 174.06 1r6h s PRO 78 N 1.69 3.04 0.33 0.00 0.02 -1.26 -4.82 135.00 134.00 1r6h s PRO 78 Ca 0.06 1.77 0.10 0.00 0.02 0.00 0.00 61.00 62.95 1r6h s PRO 78 Cb -0.17 -4.36 0.57 0.00 0.02 0.00 0.00 34.50 30.57 1r6h s PRO 78 CO -0.21 -2.20 1.76 -1.00 -0.33 0.00 0.00 177.00 175.01 1r6h h PRO 79 N 15.06 0.12 -6.43 5.54 0.13 -1.98 -3.44 132.00 141.01 1r6h h PRO 79 Ca -0.37 -0.05 -0.59 0.00 -0.87 0.00 0.00 66.00 64.12 1r6h h PRO 79 Cb 1.22 -0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.51 1r6h h PRO 79 CO 1.01 0.50 -0.41 -0.35 -0.23 0.00 0.00 178.00 178.52 1r6h n PRO 80 N -4.05 0.54 0.32 1.56 -0.04 -1.26 -4.82 135.00 127.25 1r6h n PRO 80 Ca -0.02 0.21 0.19 0.00 -0.04 0.00 0.00 63.50 63.84 1r6h n PRO 80 Cb 0.45 -1.62 1.02 0.00 -0.04 0.00 0.00 33.50 33.31 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 0.46 0.00 0.22 0.55 0.00 -2.02 -2.51 103.07 99.77 1r6h h GLY 81 Ca -0.44 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.07 1r6h h GLY 81 CO 0.48 0.00 0.61 1.70 0.00 0.00 0.00 176.54 179.34 1r6h h LYS 82 N 0.00 0.70 -0.78 4.80 3.64 -1.93 0.42 116.57 123.42 1r6h h LYS 82 Ca 0.01 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1r6h h LYS 82 Cb 0.30 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 31.89 1r6h h LYS 82 CO -0.00 0.46 0.43 0.28 -2.27 0.00 0.00 179.45 178.36 1r6h h VAL 83 N 0.72 0.90 -0.85 2.00 2.07 -1.73 0.19 116.25 119.55 1r6h h VAL 83 Ca 0.54 -0.25 0.13 0.00 0.82 0.00 0.00 66.70 67.94 1r6h h VAL 83 Cb 0.90 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.68 1r6h h VAL 83 CO -0.32 0.13 0.46 1.62 0.02 0.00 0.00 177.57 179.49 1r6h h VAL 84 N 0.74 0.79 -0.12 2.57 3.04 -0.35 0.56 116.25 123.47 1r6h h VAL 84 Ca 0.38 -0.24 -0.03 0.00 -1.01 0.00 0.00 66.70 65.80 1r6h h VAL 84 Cb 0.35 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.65 1r6h h VAL 84 CO -0.25 0.13 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.05 1r6h h GLU 85 N 0.70 0.18 0.05 4.17 4.39 -0.26 -1.97 114.58 121.83 1r6h h GLU 85 Ca 0.45 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.11 1r6h h GLU 85 Cb 0.56 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1r6h h GLU 85 CO -0.32 0.26 -0.02 0.22 -1.16 0.00 0.00 179.01 177.98 1r6h h ASP 86 N 0.18 -0.06 0.36 1.42 3.58 0.11 -1.73 116.42 120.28 1r6h h ASP 86 Ca 0.04 -0.16 -0.06 0.00 0.42 0.00 0.00 57.03 57.27 1r6h h ASP 86 Cb 0.24 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1r6h h ASP 86 CO 0.01 0.12 -0.28 -0.25 -2.88 0.00 0.00 179.24 175.96 1r6h h TRP 87 N -0.24 0.00 -0.50 0.28 2.91 -1.24 -2.44 115.95 114.71 1r6h h TRP 87 Ca -0.01 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 1r6h h TRP 87 Cb 0.21 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 1r6h h TRP 87 CO -0.02 0.28 0.23 -0.07 -1.03 0.00 0.00 178.44 177.83 1r6h h LEU 88 N 0.00 0.67 -0.72 0.65 3.38 -1.01 -0.91 115.31 117.38 1r6h h LEU 88 Ca -0.00 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1r6h h LEU 88 Cb 0.54 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1r6h h LEU 88 CO 0.04 0.63 -0.08 0.28 0.09 0.00 0.00 178.44 179.39 1r6h h SER 89 N 0.67 0.89 0.14 -0.43 0.02 -0.95 0.59 113.55 114.47 1r6h h SER 89 Ca 0.17 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1r6h h SER 89 Cb 0.15 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1r6h h SER 89 CO -0.02 0.99 -0.07 0.25 -1.14 0.00 0.00 176.83 176.85 1r6h h LEU 90 N 0.81 -0.15 -0.21 5.07 7.12 -1.10 -0.90 115.31 125.96 1r6h h LEU 90 Ca 0.14 -0.08 -0.22 0.00 0.13 0.00 0.00 57.88 57.85 1r6h h LEU 90 Cb 0.60 0.04 0.01 0.00 -0.53 0.00 0.00 40.66 40.78 1r6h h LEU 90 CO 0.04 -0.02 -0.84 1.62 -0.13 0.00 0.00 178.44 179.10 1r6h h VAL 91 N -0.28 1.33 -0.62 1.05 3.04 -1.12 -2.52 116.25 117.13 1r6h h VAL 91 Ca -0.02 -2.16 0.03 0.00 -1.01 0.00 0.00 66.70 63.54 1r6h h VAL 91 Cb 0.22 2.17 -0.04 0.00 -2.01 0.00 0.00 31.29 31.63 1r6h h VAL 91 CO 0.03 0.66 0.37 0.50 -1.01 0.00 0.00 177.57 178.13 1r6h h LYS 92 N 0.38 0.71 -0.32 4.17 3.11 0.24 0.75 116.57 125.61 1r6h h LYS 92 Ca -0.07 -0.04 -0.08 0.00 -2.81 0.00 0.00 60.65 57.65 1r6h h LYS 92 Cb 1.46 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.52 1r6h h LYS 92 CO 0.16 0.47 -0.11 0.00 -2.81 0.00 0.00 179.45 177.16 1r6h h ALA 93 N 1.28 0.45 0.00 5.00 0.00 -1.19 0.04 119.26 124.83 1r6h h ALA 93 Ca 0.25 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1r6h h ALA 93 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1r6h h ALA 93 CO -0.11 0.31 -0.19 0.87 0.00 0.00 0.00 179.25 180.12 1r6h h LYS 94 N 0.41 0.00 0.00 0.00 1.79 -0.98 -2.15 116.57 115.64 1r6h h LYS 94 Ca 0.08 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1r6h h LYS 94 Cb 0.61 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1r6h h LYS 94 CO 0.04 0.19 -0.20 0.74 -1.08 0.00 0.00 179.45 179.14 1r6h h PHE 95 N 0.00 0.00 -0.78 -1.35 -1.00 0.77 -2.35 116.94 112.23 1r6h h PHE 95 Ca -0.00 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.80 1r6h h PHE 95 Cb 0.65 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.16 1r6h h PHE 95 CO 0.00 0.86 0.52 0.00 -1.61 0.00 0.00 178.31 178.08 1r6h h GLU 97 N 1.02 0.22 -3.46 0.00 4.22 -1.52 -3.40 114.58 111.66 1r6h h GLU 97 Ca 0.30 -0.24 -0.62 0.00 0.08 0.00 0.00 59.36 58.88 1r6h h GLU 97 Cb -0.05 0.07 -0.40 0.00 0.50 0.00 0.00 28.75 28.86 1r6h h GLU 97 CO -0.07 0.97 -0.71 0.00 -2.18 0.00 0.00 179.01 177.01 1r6h s ALA 98 N -3.22 2.47 0.16 2.92 0.00 -0.80 -5.09 121.76 118.20 1r6h s ALA 98 Ca -0.03 -2.61 -0.30 0.00 0.00 0.00 0.00 51.96 49.01 1r6h s ALA 98 Cb 0.10 -1.93 -0.08 0.00 0.00 0.00 0.00 23.12 21.21 1r6h s ALA 98 CO 0.83 -1.93 1.20 -1.25 0.00 0.00 0.00 175.76 174.62 1r6h s PRO 99 N 0.48 4.48 -1.08 0.00 0.04 -1.14 -3.84 135.00 133.94 1r6h s PRO 99 Ca 0.15 1.86 -0.08 0.00 0.04 0.00 0.00 61.00 62.97 1r6h s PRO 99 Cb -0.23 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.00 1r6h s PRO 99 CO -0.05 -0.13 0.90 0.41 0.04 0.00 0.00 177.00 178.17 1r6h n GLY 100 N 2.43 -1.09 0.00 0.56 0.00 -1.26 -4.98 105.19 100.85 1r6h n GLY 100 Ca 0.05 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -3.13 0.11 -4.06 1.61 7.64 -1.25 -4.76 113.62 109.78 1r6h n SER 101 Ca -0.09 -0.37 -0.32 0.00 1.01 0.00 0.00 58.87 59.10 1r6h n SER 101 Cb 0.62 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.66 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 1.22 4.45 -0.05 0.00 1.01 -1.22 0.15 120.40 125.95 1r6h s VAL 103 Ca -0.04 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.18 1r6h s VAL 103 Cb -0.17 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1r6h s VAL 103 CO -0.08 0.11 -0.22 0.00 0.00 0.00 0.00 175.10 174.92 1r6h s ALA 104 N -1.39 1.93 0.17 5.51 0.00 -1.06 -0.05 121.76 126.87 1r6h s ALA 104 Ca 0.29 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 1r6h s ALA 104 Cb -0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1r6h s ALA 104 CO 0.22 0.36 0.12 0.14 0.00 0.00 0.00 175.76 176.59 1r6h s VAL 105 N -0.07 0.05 0.71 0.00 -7.23 0.27 -1.53 120.40 112.59 1r6h s VAL 105 Ca -0.04 -1.92 -0.14 0.00 -1.81 0.00 0.00 61.98 58.07 1r6h s VAL 105 Cb -0.13 -2.27 0.03 0.00 0.56 0.00 0.00 36.38 34.57 1r6h s VAL 105 CO 0.03 -0.21 1.14 -2.28 -0.31 0.00 0.00 175.10 173.47 1r6h s HIS 106 N -4.10 2.37 -0.35 2.82 5.65 -1.00 -0.67 115.29 120.01 1r6h s HIS 106 Ca 0.31 1.59 -0.28 0.00 0.25 0.00 0.00 55.06 56.93 1r6h s HIS 106 Cb 0.07 -3.26 -0.02 0.00 -1.18 0.00 0.00 32.58 28.19 1r6h s HIS 106 CO 0.07 -2.06 1.78 0.00 -0.65 0.00 0.00 174.74 173.88 1r6h n VAL 108 N 7.38 0.00 0.03 0.00 0.24 -1.26 -3.84 118.33 120.88 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 0.47 -0.59 0.02 0.00 -1.47 0.00 0.00 33.84 32.27 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 1.10 -3.00 2.33 0.00 -1.26 -4.38 120.51 114.32 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 -1.36 5.34 3.32 0.00 0.00 -1.25 -5.04 105.19 106.19 1r6h n GLY 110 Ca 0.00 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 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 2.61 0.00 0.99 1.43 -1.26 -4.32 118.68 118.13 1r6h s LEU 111 Ca 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1r6h s LEU 111 Cb 0.00 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.63 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 3.85 2.77 0.00 -3.19 0.00 -1.26 -4.97 105.19 102.39 1r6h n GLY 112 Ca -0.19 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.15 1.61 3.00 -1.26 -4.44 116.66 117.71 1r6h n ARG 113 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.80 1r6h n ARG 113 Cb 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 32.46 31.72 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 0.56 -0.49 7.54 0.00 -1.89 -2.80 119.26 122.18 1r6h h ALA 114 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1r6h h ALA 114 Cb 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1r6h h ALA 114 CO 0.00 -0.25 0.04 -1.00 0.00 0.00 0.00 179.25 178.04 1r6h h PRO 115 N 0.31 0.15 0.42 0.00 0.13 -1.87 -0.57 132.00 130.58 1r6h h PRO 115 Ca 0.23 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.33 1r6h h PRO 115 Cb 0.25 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.35 1r6h h PRO 115 CO -0.25 0.10 -0.20 0.28 -0.23 0.00 0.00 178.00 177.70 1r6h h VAL 116 N 0.15 0.59 -0.31 1.56 2.07 -1.85 -2.60 116.25 115.86 1r6h h VAL 116 Ca 0.25 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.83 1r6h h VAL 116 Cb 0.36 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 1r6h h VAL 116 CO -0.38 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 176.99 1r6h h LEU 117 N -0.57 -0.51 -0.08 2.57 3.38 -1.21 -1.91 115.31 116.99 1r6h h LEU 117 Ca -0.06 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1r6h h LEU 117 Cb 0.44 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1r6h h LEU 117 CO 0.10 -0.19 -0.32 0.58 0.09 0.00 0.00 178.44 178.70 1r6h h VAL 118 N -0.10 0.29 -0.33 1.22 2.07 -1.03 -1.53 116.25 116.85 1r6h h VAL 118 Ca 0.16 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.75 1r6h h VAL 118 Cb 0.35 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 1r6h h VAL 118 CO -0.38 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.12 1r6h h ALA 119 N 0.35 0.20 -0.59 1.67 0.00 -1.17 0.28 119.26 120.00 1r6h h ALA 119 Ca 0.08 0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.28 1r6h h ALA 119 Cb 0.55 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1r6h h ALA 119 CO -0.32 -0.47 0.42 -0.07 0.00 0.00 0.00 179.25 178.81 1r6h h LEU 120 N -0.02 0.05 -0.26 0.00 3.38 -0.86 0.15 115.31 117.75 1r6h h LEU 120 Ca 0.16 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 1r6h h LEU 120 Cb 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1r6h h LEU 120 CO -0.35 0.03 -0.62 0.00 0.09 0.00 0.00 178.44 177.59 1r6h h ALA 121 N 1.71 0.43 0.00 1.53 0.00 0.05 -2.77 119.26 120.21 1r6h h ALA 121 Ca 0.28 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1r6h h ALA 121 Cb 1.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1r6h h ALA 121 CO -0.02 0.68 0.00 1.25 0.00 0.00 0.00 179.25 181.17 1r6h h LEU 122 N 0.63 0.00 -1.94 0.00 5.85 -0.07 -2.91 115.31 116.87 1r6h h LEU 122 Ca -0.01 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1r6h h LEU 122 Cb 1.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1r6h h LEU 122 CO 0.13 0.00 0.23 0.40 -0.34 0.00 0.00 178.44 178.87 1r6h h ILE 123 N 0.00 0.87 0.00 4.05 2.04 -0.93 -0.29 117.51 123.25 1r6h h ILE 123 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1r6h h ILE 123 Cb 0.37 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1r6h h ILE 123 CO 0.00 0.01 0.00 -0.08 0.00 0.00 0.00 178.15 178.08 1r6h h GLU 124 N 0.07 0.00 0.00 2.37 4.22 -1.68 -2.92 114.58 116.64 1r6h h GLU 124 Ca 0.15 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.52 1r6h h GLU 124 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1r6h h GLU 124 CO -0.01 0.00 -0.34 0.77 -2.18 0.00 0.00 179.01 177.25 1r6h h SER 125 N 0.00 0.00 0.00 1.04 0.02 -1.27 -3.50 113.55 109.84 1r6h h SER 125 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1r6h h SER 125 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1r6h h SER 125 CO 0.00 0.34 0.00 0.61 -1.14 0.00 0.00 176.83 176.64 1r6h n GLY 126 N 1.16 -0.06 3.39 -3.77 0.00 -1.10 -5.00 105.19 99.81 1r6h n GLY 126 Ca 0.03 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 0.57 0.09 1.61 0.00 -1.26 -4.68 117.12 113.45 1r6h n MET 127 Ca 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 57.70 56.23 1r6h n MET 127 Cb 0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 33.22 30.33 1r6h n MET 127 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 1r6h h LYS 128 N 9.54 -0.22 -0.21 3.17 2.10 -1.85 0.18 116.57 129.28 1r6h h LYS 128 Ca 0.28 0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.87 1r6h h LYS 128 Cb 0.74 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.11 1r6h h LYS 128 CO 1.85 -0.15 -0.17 -0.92 -2.00 0.00 0.00 179.45 178.05 1r6h h TYR 129 N -0.31 0.39 0.09 0.07 3.20 -1.90 0.46 116.97 118.97 1r6h h TYR 129 Ca -0.02 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1r6h h TYR 129 Cb 0.18 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1r6h h TYR 129 CO 0.12 0.52 -0.04 0.93 -1.64 0.00 0.00 178.16 178.05 1r6h h GLU 130 N 0.33 -0.12 -0.22 1.82 3.07 -1.93 -2.48 114.58 115.05 1r6h h GLU 130 Ca 0.06 0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.79 1r6h h GLU 130 Cb 0.50 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1r6h h GLU 130 CO 0.03 0.40 -0.45 0.22 -1.40 0.00 0.00 179.01 177.82 1r6h h ASP 131 N -0.75 0.60 0.00 1.42 3.58 -0.59 0.23 116.42 120.92 1r6h h ASP 131 Ca -0.01 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 1r6h h ASP 131 Cb 0.57 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1r6h h ASP 131 CO 0.02 0.96 -0.00 0.00 -2.88 0.00 0.00 179.24 177.34 1r6h h ALA 132 N 1.06 -0.01 -0.06 -0.78 0.00 -0.16 0.92 119.26 120.24 1r6h h ALA 132 Ca 0.03 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1r6h h ALA 132 Cb 0.96 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.75 1r6h h ALA 132 CO 0.09 -0.47 -0.85 0.82 0.00 0.00 0.00 179.25 178.83 1r6h h ILE 133 N -0.07 1.34 -0.00 0.00 1.08 -1.42 -1.81 117.51 116.63 1r6h h ILE 133 Ca -0.00 -2.20 -0.00 0.00 -0.39 0.00 0.00 64.86 62.27 1r6h h ILE 133 Cb 0.07 2.20 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 1r6h h ILE 133 CO 0.00 0.67 -0.01 -0.61 -0.69 0.00 0.00 178.15 177.51 1r6h h GLN 134 N 0.35 0.01 -0.32 2.37 5.75 -0.44 -0.63 115.11 122.21 1r6h h GLN 134 Ca -0.07 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.30 1r6h h GLN 134 Cb 1.47 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.01 1r6h h GLN 134 CO 0.16 0.72 -0.33 0.35 -2.65 0.00 0.00 178.83 177.09 1r6h h PHE 135 N -0.70 0.80 0.00 3.99 3.57 0.76 -2.51 116.94 122.86 1r6h h PHE 135 Ca -0.00 -0.21 -0.12 0.00 3.53 0.00 0.00 57.97 61.17 1r6h h PHE 135 Cb 0.73 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1r6h h PHE 135 CO 0.18 0.92 -0.56 0.97 -2.23 0.00 0.00 178.31 177.60 1r6h h ILE 136 N 0.58 1.18 -0.25 1.41 2.10 -1.39 -3.04 117.51 118.12 1r6h h ILE 136 Ca 0.06 -2.06 -0.04 0.00 1.08 0.00 0.00 64.86 63.90 1r6h h ILE 136 Cb 0.84 2.18 -0.01 0.00 -1.09 0.00 0.00 36.82 38.74 1r6h h ILE 136 CO 0.07 0.54 -0.02 -0.09 -1.08 0.00 0.00 178.15 177.58 1r6h h ARG 137 N 0.00 0.45 -0.51 2.19 2.43 -0.81 -3.10 114.38 115.03 1r6h h ARG 137 Ca -0.01 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1r6h h ARG 137 Cb 1.14 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 1r6h h ARG 137 CO 0.07 0.64 0.33 0.37 -1.51 0.00 0.00 179.97 179.88 1r6h h GLN 138 N 0.21 0.65 -6.77 0.20 -0.00 -1.45 -3.42 115.11 104.53 1r6h h GLN 138 Ca 0.07 -0.04 -0.50 0.00 -0.00 0.00 0.00 58.65 58.18 1r6h h GLN 138 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.77 1r6h h GLN 138 CO 0.02 0.43 0.10 0.15 0.00 0.00 0.00 178.83 179.52 1r6h s LYS 139 N -6.15 3.89 -0.22 1.69 3.01 -1.15 -5.01 119.74 115.80 1r6h s LYS 139 Ca -0.13 0.56 -0.29 0.00 -1.01 0.00 0.00 55.97 55.10 1r6h s LYS 139 Cb 0.12 -2.42 -0.01 0.00 -1.01 0.00 0.00 37.83 34.51 1r6h s LYS 139 CO 0.74 0.08 1.41 0.50 0.51 0.00 0.00 175.35 178.59 1r6h s ARG 140 N -3.36 3.98 0.32 1.68 3.00 -1.26 -4.80 118.95 118.51 1r6h s ARG 140 Ca 0.53 1.54 0.09 0.00 -1.00 0.00 0.00 55.73 56.89 1r6h s ARG 140 Cb -0.10 -3.91 -0.05 0.00 0.00 0.00 0.00 34.95 30.89 1r6h s ARG 140 CO 0.24 -1.05 0.02 -0.98 0.00 0.00 0.00 175.30 173.52 1r6h s ARG 141 N 4.15 2.13 0.05 5.12 3.03 -1.26 -4.44 118.95 127.73 1r6h s ARG 141 Ca 0.62 -1.67 -0.01 0.00 2.03 0.00 0.00 55.73 56.70 1r6h s ARG 141 Cb -0.22 -1.99 0.01 0.00 -1.03 0.00 0.00 34.95 31.72 1r6h s ARG 141 CO 0.23 0.18 0.03 0.41 -1.13 0.00 0.00 175.30 175.02 1r6h n GLY 142 N -0.95 -2.92 3.44 3.88 0.00 -1.26 -4.84 105.19 102.53 1r6h n GLY 142 Ca -0.04 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.00 3.15 -0.46 4.61 0.00 -1.26 -4.94 121.76 120.85 1r6h s ALA 143 Ca 0.02 -1.89 -0.24 0.00 0.00 0.00 0.00 51.96 49.85 1r6h s ALA 143 Cb -0.00 -3.82 0.03 0.00 0.00 0.00 0.00 23.12 19.33 1r6h s ALA 143 CO 0.02 -2.72 0.82 0.96 0.00 0.00 0.00 175.76 174.84 1r6h s ILE 144 N 3.89 4.60 0.00 0.00 -4.36 -1.26 -4.91 121.20 119.16 1r6h s ILE 144 Ca 0.21 0.45 0.00 0.00 -0.26 0.00 0.00 60.65 61.05 1r6h s ILE 144 Cb -0.18 -4.36 0.00 0.00 1.25 0.00 0.00 42.46 39.17 1r6h s ILE 144 CO 0.10 -0.78 0.00 0.59 0.24 0.00 0.00 174.94 175.09 1r6h n ASN 145 N 6.86 0.00 -0.08 4.36 3.02 -1.26 -4.84 115.26 123.32 1r6h n ASN 145 Ca 0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.50 1r6h n ASN 145 Cb 0.48 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.57 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 -1.61 1.75 0.06 6.41 2.88 -1.26 -4.52 113.62 117.34 1r6h n SER 146 Ca 0.00 0.31 -0.13 0.00 -1.33 0.00 0.00 58.87 57.72 1r6h n SER 146 Cb 0.00 -0.72 -0.08 0.00 -0.75 0.00 0.00 64.21 62.66 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 -0.91 -0.09 -0.08 -1.46 3.11 -1.96 -1.17 116.57 114.01 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 0.89 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.10 1r6h h LYS 147 CO 0.00 0.06 -0.14 1.96 -2.81 0.00 0.00 179.45 178.52 1r6h h GLN 148 N -0.22 -0.18 -0.07 1.90 4.20 -1.93 0.70 115.11 119.51 1r6h h GLN 148 Ca -0.01 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 1r6h h GLN 148 Cb 0.19 0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.02 1r6h h GLN 148 CO 0.02 -0.12 -0.37 -0.07 -0.67 0.00 0.00 178.83 177.61 1r6h h LEU 149 N -0.19 0.45 -0.73 1.46 -0.00 -1.79 -2.72 115.31 111.79 1r6h h LEU 149 Ca 0.07 -0.66 -0.11 0.00 -0.00 0.00 0.00 57.88 57.19 1r6h h LEU 149 Cb 0.29 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.81 1r6h h LEU 149 CO -0.19 1.03 -0.19 0.74 -0.00 0.00 0.00 178.44 179.83 1r6h h THR 150 N -0.11 1.27 0.02 0.22 2.02 -1.17 -2.03 112.91 113.14 1r6h h THR 150 Ca -0.03 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 65.86 1r6h h THR 150 Cb 1.03 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1r6h h THR 150 CO 0.08 0.43 -0.01 0.22 0.37 0.00 0.00 175.52 176.61 1r6h h TYR 151 N 0.68 -0.03 -0.36 3.16 3.20 0.36 -2.25 116.97 121.73 1r6h h TYR 151 Ca 0.10 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 1r6h h TYR 151 Cb 0.70 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1r6h h TYR 151 CO 0.04 0.26 0.02 1.25 -1.64 0.00 0.00 178.16 178.08 1r6h h LEU 152 N -0.31 0.52 -0.55 2.82 6.46 -1.49 -0.65 115.31 122.10 1r6h h LEU 152 Ca -0.00 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1r6h h LEU 152 Cb 0.30 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.05 1r6h h LEU 152 CO 0.01 0.58 0.29 -0.08 -0.62 0.00 0.00 178.44 178.61 1r6h h GLU 153 N 0.53 0.55 0.00 1.25 4.81 -1.22 0.17 114.58 120.68 1r6h h GLU 153 Ca 0.12 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1r6h h GLU 153 Cb 0.32 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1r6h h GLU 153 CO 0.01 0.36 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.28 1r6h h LYS 154 N 0.56 0.00 -0.37 1.92 3.11 -0.81 -2.83 116.57 118.15 1r6h h LYS 154 Ca 0.24 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.99 1r6h h LYS 154 Cb 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.35 1r6h h LYS 154 CO -0.16 0.15 -0.14 -0.92 -2.81 0.00 0.00 179.45 175.56 1r6h h TYR 155 N 0.00 0.73 -3.45 1.91 5.03 0.85 -3.41 116.97 118.63 1r6h h TYR 155 Ca -0.00 -0.13 -0.64 0.00 2.58 0.00 0.00 58.73 60.54 1r6h h TYR 155 Cb 0.64 -0.19 -0.20 0.00 1.55 0.00 0.00 36.73 38.53 1r6h h TYR 155 CO 0.00 0.78 -0.62 -0.98 -1.32 0.00 0.00 178.16 176.02 1r6h s ARG 156 N -4.72 3.76 0.60 1.82 1.04 -0.71 -5.05 118.95 115.70 1r6h s ARG 156 Ca -0.08 -0.45 -0.17 0.00 -1.04 0.00 0.00 55.73 53.99 1r6h s ARG 156 Cb 0.14 -3.19 -0.03 0.00 -2.04 0.00 0.00 34.95 29.83 1r6h s ARG 156 CO 0.81 0.06 1.10 -1.25 -0.04 0.00 0.00 175.30 175.98 1r6h s PRO 157 N 0.92 3.12 -0.11 3.89 0.04 -1.26 -4.88 135.00 136.71 1r6h s PRO 157 Ca 0.03 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 1r6h s PRO 157 Cb -0.14 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.46 1r6h s PRO 157 CO 0.02 -1.00 0.23 0.15 0.04 0.00 0.00 177.00 176.44 1r6h s LYS 158 N -3.84 0.14 0.00 4.56 1.02 -1.26 -5.01 119.74 115.35 1r6h s LYS 158 Ca 0.68 0.63 0.32 0.00 0.02 0.00 0.00 55.97 57.61 1r6h s LYS 158 Cb -0.20 -0.11 1.82 0.00 -0.52 0.00 0.00 37.83 38.81 1r6h s LYS 158 CO 0.35 -0.25 2.18 0.94 -0.92 0.00 0.00 175.35 177.66 1r6h n GLN 159 N 4.96 0.99 0.22 1.68 -0.06 -1.26 -3.72 117.38 120.18 1r6h n GLN 159 Ca -0.13 -0.06 0.12 0.00 -2.00 0.00 0.00 57.00 54.93 1r6h n GLN 159 Cb 0.51 -1.50 0.70 0.00 -4.06 0.00 0.00 30.24 25.89 1r6h n GLN 159 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1r6h h ARG 160 N 0.15 0.00 0.08 3.69 2.47 -2.02 -2.54 114.38 116.21 1r6h h ARG 160 Ca 0.00 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 1r6h h ARG 160 Cb 0.06 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.39 1r6h h ARG 160 CO 0.00 0.00 -0.50 -0.07 0.56 0.00 0.00 179.97 179.96 1r6h h LEU 161 N 0.00 0.27 -7.67 3.04 4.07 -2.03 -3.41 115.31 109.58 1r6h h LEU 161 Ca 0.05 -0.97 -0.72 0.00 0.08 0.00 0.00 57.88 56.32 1r6h h LEU 161 Cb 0.20 -0.09 -0.33 0.00 1.08 0.00 0.00 40.66 41.52 1r6h h LEU 161 CO -0.00 1.24 -0.29 -0.13 -1.08 0.00 0.00 178.44 178.17 1r6h s ARG 162 N -2.34 2.71 -0.94 1.13 0.52 -0.96 -5.02 118.95 114.05 1r6h s ARG 162 Ca -0.16 -2.39 -0.24 0.00 -0.52 0.00 0.00 55.73 52.42 1r6h s ARG 162 Cb -0.01 -3.87 -0.01 0.00 0.52 0.00 0.00 34.95 31.59 1r6h s ARG 162 CO 0.77 -1.19 1.73 0.12 0.02 0.00 0.00 175.30 176.75 1r6h s PHE 163 N 0.21 2.11 -0.09 -0.53 2.19 -1.20 -4.79 117.98 115.87 1r6h s PHE 163 Ca 0.15 0.02 0.04 0.00 0.33 0.00 0.00 56.93 57.48 1r6h s PHE 163 Cb -0.19 -4.33 -0.00 0.00 -1.31 0.00 0.00 43.02 37.19 1r6h s PHE 163 CO -0.04 -1.85 -0.24 -1.59 1.83 0.00 0.00 175.22 173.33 1r6h s LYS 164 N 6.16 2.94 -0.26 10.12 -2.85 -1.26 -5.11 119.74 129.47 1r6h s LYS 164 Ca 0.59 -0.89 -0.19 0.00 -1.00 0.00 0.00 55.97 54.48 1r6h s LYS 164 Cb -0.04 -2.27 -0.02 0.00 -2.06 0.00 0.00 37.83 33.44 1r6h s LYS 164 CO -0.03 0.23 0.59 -0.51 0.10 0.00 0.00 175.35 175.72 1r6h s ASP 165 N 0.23 6.52 1.13 0.03 1.11 -1.26 -5.07 116.67 119.36 1r6h s ASP 165 Ca -0.16 0.61 -0.12 0.00 0.18 0.00 0.00 52.55 53.07 1r6h s ASP 165 Cb -0.17 -2.32 0.17 0.00 1.07 0.00 0.00 42.92 41.67 1r6h s ASP 165 CO 0.08 -0.36 0.62 -0.81 1.18 0.00 0.00 175.17 175.89 1r6h n PRO 166 N 5.67 -2.14 -3.87 8.23 -0.04 -1.26 -5.09 135.00 136.50 1r6h n PRO 166 Ca -0.02 -1.00 -0.12 0.00 -0.04 0.00 0.00 63.50 62.33 1r6h n PRO 166 Cb 0.49 -0.92 -0.14 0.00 -0.04 0.00 0.00 33.50 32.90 1r6h n PRO 166 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1r6h s HIS 167 N -2.15 0.00 -0.12 0.54 2.46 -1.26 -5.14 115.29 109.63 1r6h s HIS 167 Ca 0.40 0.00 -0.03 0.00 0.47 0.00 0.00 55.06 55.91 1r6h s HIS 167 Cb -0.04 -0.01 0.04 0.00 -0.13 0.00 0.00 32.58 32.45 1r6h s HIS 167 CO 0.31 -0.03 0.04 0.95 -2.47 0.00 0.00 174.74 173.54 1r6h s THR 168 N -0.12 0.21 0.16 0.89 -4.23 -1.26 -4.84 115.64 106.45 1r6h s THR 168 Ca -0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1r6h s THR 168 Cb -0.01 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 73.25 1r6h s THR 168 CO -0.00 0.01 0.00 1.57 -0.54 0.00 0.00 174.62 175.66 1r6h n HIS 169 N 5.19 -1.33 -0.05 3.99 -0.00 -1.26 -4.97 115.22 116.78 1r6h n HIS 169 Ca -0.07 0.23 -0.06 0.00 0.46 0.00 0.00 57.72 58.29 1r6h n HIS 169 Cb 0.49 0.45 -0.08 0.00 -0.12 0.00 0.00 29.99 30.73 1r6h n HIS 169 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1r6h n LYS 170 N -3.12 1.95 -3.93 1.57 2.85 -1.26 -4.99 118.16 111.22 1r6h n LYS 170 Ca 0.00 0.01 -0.18 0.00 -1.05 0.00 0.00 58.31 57.09 1r6h n LYS 170 Cb 0.00 -1.26 -0.16 0.00 -0.65 0.00 0.00 35.03 32.95 1r6h n LYS 170 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1r6h s THR 171 N -2.25 0.21 -1.73 0.58 2.01 -1.26 -5.33 115.64 107.87 1r6h s THR 171 Ca -0.07 0.08 0.14 0.00 0.31 0.00 0.00 61.69 62.14 1r6h s THR 171 Cb 0.03 -0.31 0.11 0.00 0.01 0.00 0.00 72.50 72.34 1r6h s THR 171 CO 0.40 0.16 0.94 -2.11 -0.69 0.00 0.00 174.62 173.32