#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 -0.59 -0.04 1.61 1.04 -1.26 -5.16 113.70 109.30 1r6h s SER 2 Ca 0.00 1.05 0.06 0.00 0.48 0.00 0.00 55.95 57.54 1r6h s SER 2 Cb 0.00 0.99 -0.01 0.00 0.10 0.00 0.00 66.02 67.09 1r6h s SER 2 CO 0.00 -0.19 -0.24 -2.28 0.98 0.00 0.00 173.24 171.51 1r6h s HIS 3 N 0.89 2.26 0.12 5.02 5.65 -1.26 -5.12 115.29 122.86 1r6h s HIS 3 Ca -0.05 -0.58 -0.26 0.00 0.25 0.00 0.00 55.06 54.42 1r6h s HIS 3 Cb -0.06 -1.48 0.07 0.00 -1.18 0.00 0.00 32.58 29.94 1r6h s HIS 3 CO -0.07 -0.14 0.97 1.41 -0.65 0.00 0.00 174.74 176.25 1r6h s MET 4 N -0.29 1.10 0.38 2.88 -2.45 -1.26 -5.19 119.30 114.47 1r6h s MET 4 Ca 0.01 -0.59 -0.13 0.00 -1.25 0.00 0.00 55.69 53.73 1r6h s MET 4 Cb -0.12 0.39 0.05 0.00 1.25 0.00 0.00 34.83 36.40 1r6h s MET 4 CO 0.02 -0.50 0.74 0.00 1.05 0.00 0.00 175.02 176.32 1r6h n ALA 5 N -0.44 -1.56 0.00 4.11 0.00 -1.26 -5.10 120.51 116.27 1r6h n ALA 5 Ca -0.07 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1r6h n ALA 5 Cb 0.61 1.03 0.00 0.00 0.00 0.00 0.00 19.45 21.09 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 -0.53 0.00 -4.29 0.00 3.00 -1.26 -5.13 116.66 108.45 1r6h n ARG 6 Ca -0.07 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.57 1r6h n ARG 6 Cb 0.58 -0.34 -0.08 0.00 0.00 0.00 0.00 32.46 32.62 1r6h n ARG 6 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1r6h s MET 7 N -2.00 1.73 0.00 5.56 -1.94 -1.26 -5.07 119.30 116.33 1r6h s MET 7 Ca 0.00 -2.00 0.00 0.00 -1.71 0.00 0.00 55.69 51.98 1r6h s MET 7 Cb 0.00 0.27 0.00 0.00 2.01 0.00 0.00 34.83 37.11 1r6h s MET 7 CO 0.00 -0.63 0.00 0.09 -0.01 0.00 0.00 175.02 174.47 1r6h n ASN 8 N -1.46 0.00 -3.70 3.03 3.02 -1.26 -5.11 115.26 109.78 1r6h n ASN 8 Ca 0.07 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.38 1r6h n ASN 8 Cb 0.63 0.20 -0.17 0.00 -0.61 0.00 0.00 39.78 39.82 1r6h n ASN 8 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1r6h s ARG 9 N -1.63 0.30 0.35 3.52 0.52 -1.26 -5.14 118.95 115.62 1r6h s ARG 9 Ca 0.00 0.03 -0.28 0.00 -0.52 0.00 0.00 55.73 54.96 1r6h s ARG 9 Cb 0.00 -1.27 -0.10 0.00 0.52 0.00 0.00 34.95 34.10 1r6h s ARG 9 CO 0.00 -0.46 1.29 -1.25 0.02 0.00 0.00 175.30 174.90 1r6h s PRO 10 N 2.04 4.27 0.38 3.54 0.04 -1.26 -5.00 135.00 139.02 1r6h s PRO 10 Ca 0.03 2.17 -0.25 0.00 0.04 0.00 0.00 61.00 63.00 1r6h s PRO 10 Cb -0.14 -2.99 -0.09 0.00 0.04 0.00 0.00 34.50 31.32 1r6h s PRO 10 CO -0.06 -0.24 1.05 0.00 0.04 0.00 0.00 177.00 177.79 1r6h s ALA 11 N -1.18 3.12 0.83 8.56 0.00 -1.26 -4.82 121.76 127.02 1r6h s ALA 11 Ca 0.51 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 1r6h s ALA 11 Cb -0.39 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.55 1r6h s ALA 11 CO 0.51 -0.19 1.10 -1.25 0.00 0.00 0.00 175.76 175.92 1r6h s PRO 12 N -2.37 1.78 -0.08 0.00 0.04 -1.26 -4.91 135.00 128.20 1r6h s PRO 12 Ca 0.56 0.71 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 1r6h s PRO 12 Cb -0.23 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.48 1r6h s PRO 12 CO 0.29 -1.85 0.17 0.08 0.04 0.00 0.00 177.00 175.73 1r6h s VAL 13 N -3.07 -0.13 -0.13 -0.36 1.01 -0.47 -4.95 120.40 112.30 1r6h s VAL 13 Ca 0.62 0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 1r6h s VAL 13 Cb -0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1r6h s VAL 13 CO 0.55 0.09 -0.13 -1.83 0.00 0.00 0.00 175.10 173.79 1r6h s GLU 14 N 1.55 3.38 -0.24 2.72 4.04 -1.25 0.11 118.70 129.01 1r6h s GLU 14 Ca -0.05 -0.69 -0.06 0.00 0.04 0.00 0.00 54.97 54.21 1r6h s GLU 14 Cb -0.12 -2.64 -0.02 0.00 0.02 0.00 0.00 34.13 31.37 1r6h s GLU 14 CO -0.06 0.20 0.03 0.14 -1.84 0.00 0.00 175.26 173.72 1r6h s VAL 15 N 0.39 3.98 0.24 1.83 -7.23 -0.39 -4.85 120.40 114.37 1r6h s VAL 15 Ca -0.10 -0.29 0.09 0.00 -1.81 0.00 0.00 61.98 59.88 1r6h s VAL 15 Cb -0.16 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 1r6h s VAL 15 CO 0.05 0.37 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.73 1r6h s SER 16 N 1.53 4.37 -0.25 4.85 0.01 -1.26 0.12 113.70 123.07 1r6h s SER 16 Ca 0.06 -0.65 -0.02 0.00 1.31 0.00 0.00 55.95 56.65 1r6h s SER 16 Cb -0.15 -0.76 0.13 0.00 0.21 0.00 0.00 66.02 65.45 1r6h s SER 16 CO 0.01 0.04 0.35 -0.47 0.41 0.00 0.00 173.24 173.58 1r6h s TYR 17 N -2.13 -0.73 0.00 2.43 5.04 -0.55 -4.96 117.35 116.44 1r6h s TYR 17 Ca 0.29 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.48 1r6h s TYR 17 Cb -0.07 -0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.12 1r6h s TYR 17 CO 0.18 -0.76 0.00 1.63 -1.34 0.00 0.00 175.55 175.26 1r6h n LYS 18 N 5.35 0.00 -0.11 4.97 4.76 -1.26 -0.89 118.16 130.98 1r6h n LYS 18 Ca -0.03 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.43 1r6h n LYS 18 Cb 0.50 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.72 1r6h n LYS 18 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1r6h n HIS 19 N 0.00 0.00 -4.16 2.13 1.44 -1.26 -5.07 115.22 108.30 1r6h n HIS 19 Ca 0.00 -0.38 -0.23 0.00 -2.01 0.00 0.00 57.72 55.11 1r6h n HIS 19 Cb 0.00 -0.06 -0.06 0.00 0.12 0.00 0.00 29.99 29.99 1r6h n HIS 19 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1r6h s MET 20 N -0.95 2.48 -0.12 -1.40 0.00 -0.06 -4.34 119.30 114.90 1r6h s MET 20 Ca 0.07 -1.38 -0.09 0.00 0.00 0.00 0.00 55.69 54.30 1r6h s MET 20 Cb 0.06 -2.27 0.04 0.00 0.00 0.00 0.00 34.83 32.66 1r6h s MET 20 CO 0.01 0.27 0.31 1.03 0.00 0.00 0.00 175.02 176.64 1r6h s ARG 21 N -3.79 0.32 0.13 4.11 0.52 -1.14 -1.49 118.95 117.62 1r6h s ARG 21 Ca 0.34 0.53 0.09 0.00 -0.52 0.00 0.00 55.73 56.17 1r6h s ARG 21 Cb -0.05 0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.42 1r6h s ARG 21 CO 0.22 -0.10 -0.15 -0.06 0.02 0.00 0.00 175.30 175.23 1r6h s PHE 22 N 0.75 2.59 -0.04 -0.53 0.08 0.32 -2.44 117.98 118.70 1r6h s PHE 22 Ca -0.05 -0.24 0.05 0.00 0.12 0.00 0.00 56.93 56.81 1r6h s PHE 22 Cb -0.06 -1.34 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 1r6h s PHE 22 CO -0.05 0.43 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.80 1r6h s LEU 23 N -2.36 1.97 -0.30 -0.37 2.01 0.25 -1.27 118.68 118.61 1r6h s LEU 23 Ca 0.21 -0.39 0.02 0.00 0.01 0.00 0.00 54.13 53.97 1r6h s LEU 23 Cb -0.10 -1.07 0.07 0.00 0.01 0.00 0.00 46.19 45.10 1r6h s LEU 23 CO 0.12 0.19 -0.02 -0.63 1.01 0.00 0.00 176.35 177.02 1r6h s ILE 24 N -0.08 2.46 0.22 -0.59 -1.09 0.31 0.18 121.20 122.61 1r6h s ILE 24 Ca -0.02 -1.81 0.05 0.00 -2.23 0.00 0.00 60.65 56.64 1r6h s ILE 24 Cb -0.11 -2.56 -0.05 0.00 -1.58 0.00 0.00 42.46 38.16 1r6h s ILE 24 CO 0.02 -0.25 -0.05 0.42 -1.23 0.00 0.00 174.94 173.85 1r6h s THR 25 N 1.08 1.25 0.46 2.92 -4.23 0.11 -1.37 115.64 115.85 1r6h s THR 25 Ca -0.02 -2.07 -0.17 0.00 -1.18 0.00 0.00 61.69 58.25 1r6h s THR 25 Cb -0.20 -2.21 -0.09 0.00 1.34 0.00 0.00 72.50 71.35 1r6h s THR 25 CO -0.05 -0.45 0.93 -1.38 -0.54 0.00 0.00 174.62 173.13 1r6h s HIS 26 N -3.28 3.40 0.74 3.99 -3.43 -1.26 0.24 115.29 115.69 1r6h s HIS 26 Ca 0.25 1.45 -0.15 0.00 -0.80 0.00 0.00 55.06 55.81 1r6h s HIS 26 Cb 0.04 -2.75 0.05 0.00 -1.43 0.00 0.00 32.58 28.48 1r6h s HIS 26 CO 0.07 -0.21 1.20 -0.80 -2.00 0.00 0.00 174.74 173.00 1r6h s ASN 27 N -2.71 4.12 0.30 7.38 0.01 -1.26 -4.83 114.94 117.94 1r6h s ASN 27 Ca 0.59 2.34 -0.29 0.00 -0.71 0.00 0.00 52.86 54.78 1r6h s ASN 27 Cb -0.10 -2.59 -0.13 0.00 0.41 0.00 0.00 41.25 38.85 1r6h s ASN 27 CO 0.24 -2.31 1.28 -2.65 -1.51 0.00 0.00 177.10 172.14 1r6h n PRO 28 N -2.83 1.95 -3.82 -0.60 -0.02 -1.26 -4.99 135.00 123.42 1r6h n PRO 28 Ca 0.13 0.69 -0.34 0.00 -2.02 0.00 0.00 63.50 61.96 1r6h n PRO 28 Cb 0.50 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 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 -0.74 5.36 -0.73 3.45 -4.23 -1.26 -4.98 115.64 112.50 1r6h s THR 29 Ca 0.60 0.02 0.18 0.00 -1.18 0.00 0.00 61.69 61.31 1r6h s THR 29 Cb -0.62 -3.56 0.17 0.00 1.34 0.00 0.00 72.50 69.83 1r6h s THR 29 CO 0.58 0.33 1.54 -0.46 -0.54 0.00 0.00 174.62 176.07 1r6h n ASN 30 N 1.00 0.32 -0.05 3.99 6.94 -1.26 -2.95 115.26 123.25 1r6h n ASN 30 Ca -0.11 0.59 -0.10 0.00 -0.02 0.00 0.00 54.58 54.94 1r6h n ASN 30 Cb 0.53 -0.65 -0.15 0.00 -2.36 0.00 0.00 39.78 37.15 1r6h n ASN 30 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1r6h n ALA 31 N -1.63 1.44 -3.46 -2.53 0.00 -1.26 -4.78 120.51 108.29 1r6h n ALA 31 Ca 0.02 -0.94 -0.29 0.00 0.00 0.00 0.00 53.44 52.24 1r6h n ALA 31 Cb 0.17 -0.60 -0.12 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.15 -4.98 115.64 102.75 1r6h s THR 32 Ca -0.09 -1.81 -0.22 0.00 -1.18 0.00 0.00 61.69 58.39 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 0.00 174.62 174.37 1r6h h LEU 33 N 6.88 0.00 -0.55 4.79 -0.00 -1.86 -3.32 115.31 121.23 1r6h h LEU 33 Ca 0.08 -0.74 0.06 0.00 -0.00 0.00 0.00 57.88 57.28 1r6h h LEU 33 Cb 0.96 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.57 1r6h h LEU 33 CO 0.28 0.92 0.25 0.28 -0.00 0.00 0.00 178.44 180.16 1r6h h SER 34 N -1.00 0.33 -0.48 -0.43 0.02 -1.93 -1.74 113.55 108.31 1r6h h SER 34 Ca -0.02 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1r6h h SER 34 Cb 0.80 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 1r6h h SER 34 CO -0.01 0.22 0.32 0.74 -1.14 0.00 0.00 176.83 176.95 1r6h h THR 35 N 0.48 0.95 -0.02 -2.27 2.02 -1.98 -2.36 112.91 109.73 1r6h h THR 35 Ca 0.26 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 1r6h h THR 35 Cb 0.23 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1r6h h THR 35 CO -0.21 0.07 -0.21 0.15 0.37 0.00 0.00 175.52 175.69 1r6h h PHE 36 N 0.38 0.25 -0.98 3.16 3.04 -1.44 -2.69 116.94 118.65 1r6h h PHE 36 Ca 0.21 -0.12 0.10 0.00 3.98 0.00 0.00 57.97 62.14 1r6h h PHE 36 Cb 0.35 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 38.75 1r6h h PHE 36 CO -0.00 0.87 0.63 -0.84 -2.02 0.00 0.00 178.31 176.95 1r6h h ILE 37 N -0.45 0.99 0.16 1.41 3.07 -1.12 0.38 117.51 121.96 1r6h h ILE 37 Ca -0.02 -0.35 -0.01 0.00 1.55 0.00 0.00 64.86 66.03 1r6h h ILE 37 Cb 0.91 -0.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.33 1r6h h ILE 37 CO 0.04 0.19 -0.08 -0.08 -1.05 0.00 0.00 178.15 177.17 1r6h h GLU 38 N 1.03 -0.21 0.00 0.16 4.81 -1.49 -1.37 114.58 117.52 1r6h h GLU 38 Ca 0.46 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.70 1r6h h GLU 38 Cb 0.37 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1r6h h GLU 38 CO -0.21 0.06 -0.00 -0.44 -0.73 0.00 0.00 179.01 177.68 1r6h h ASP 39 N -0.48 -0.00 -0.54 1.04 5.19 -1.09 0.82 116.42 121.36 1r6h h ASP 39 Ca -0.02 -0.38 0.07 0.00 -0.62 0.00 0.00 57.03 56.08 1r6h h ASP 39 Cb 0.37 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.82 1r6h h ASP 39 CO 0.04 0.38 0.20 -0.07 -3.12 0.00 0.00 179.24 176.67 1r6h h LEU 40 N -0.39 0.21 -0.27 1.55 3.38 -0.33 -0.53 115.31 118.93 1r6h h LEU 40 Ca -0.00 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1r6h h LEU 40 Cb 0.39 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1r6h h LEU 40 CO 0.00 0.14 -0.60 0.50 0.09 0.00 0.00 178.44 178.57 1r6h h LYS 41 N 0.39 0.00 -0.81 1.13 3.64 -1.25 -3.27 116.57 116.41 1r6h h LYS 41 Ca 0.26 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.78 1r6h h LYS 41 Cb 0.28 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.01 1r6h h LYS 41 CO -0.26 0.60 0.39 0.87 -2.27 0.00 0.00 179.45 178.78 1r6h h LYS 42 N 0.00 0.56 -0.67 1.90 1.57 0.23 -0.11 116.57 120.05 1r6h h LYS 42 Ca -0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1r6h h LYS 42 Cb 1.35 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 1r6h h LYS 42 CO 0.08 0.37 0.22 -0.92 -0.57 0.00 0.00 179.45 178.63 1r6h h TYR 43 N 0.58 1.04 0.00 -1.35 5.03 -1.51 -3.48 116.97 117.27 1r6h h TYR 43 Ca 0.43 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.66 1r6h h TYR 43 Cb 0.60 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.57 1r6h h TYR 43 CO -0.11 0.82 0.00 0.41 -1.32 0.00 0.00 178.16 177.96 1r6h n GLY 44 N -0.87 -2.41 2.87 1.82 0.00 -0.05 -4.96 105.19 101.59 1r6h n GLY 44 Ca 0.06 -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 -1.85 1.28 0.00 4.61 0.00 -1.25 -4.43 121.76 120.12 1r6h s ALA 45 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1r6h s ALA 45 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1r6h s ALA 45 CO 0.00 -0.61 0.00 2.41 0.00 0.00 0.00 175.76 177.56 1r6h n THR 46 N 4.95 0.00 -1.26 0.00 -1.04 0.14 -4.20 114.28 112.87 1r6h n THR 46 Ca -0.11 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.57 1r6h n THR 46 Cb 0.49 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 69.10 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 -2.74 2.57 -0.02 12.58 -1.32 -1.25 -4.10 115.64 121.36 1r6h s THR 47 Ca 0.00 0.23 0.01 0.00 -1.21 0.00 0.00 61.69 60.72 1r6h s THR 47 Cb 0.00 -2.64 0.01 0.00 -1.51 0.00 0.00 72.50 68.36 1r6h s THR 47 CO 0.00 -0.19 -0.03 -0.69 -2.21 0.00 0.00 174.62 171.50 1r6h s VAL 48 N -2.37 0.30 -0.34 5.08 1.01 0.12 -2.54 120.40 121.65 1r6h s VAL 48 Ca 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.60 1r6h s VAL 48 Cb -0.24 -0.32 0.08 0.00 0.00 0.00 0.00 36.38 35.90 1r6h s VAL 48 CO 0.50 0.13 0.06 0.54 0.00 0.00 0.00 175.10 176.33 1r6h s VAL 49 N 0.51 2.88 -0.29 2.92 0.11 -0.12 0.36 120.40 126.77 1r6h s VAL 49 Ca -0.05 -1.79 -0.02 0.00 -2.93 0.00 0.00 61.98 57.19 1r6h s VAL 49 Cb -0.09 -2.84 0.05 0.00 -1.53 0.00 0.00 36.38 31.97 1r6h s VAL 49 CO -0.01 -0.37 -0.01 0.00 -3.33 0.00 0.00 175.10 171.38 1r6h s ARG 50 N 1.14 2.50 -0.71 1.54 1.70 -1.13 -2.52 118.95 121.47 1r6h s ARG 50 Ca 0.02 -1.21 -0.10 0.00 -0.47 0.00 0.00 55.73 53.97 1r6h s ARG 50 Cb -0.21 -3.15 0.18 0.00 -0.57 0.00 0.00 34.95 31.21 1r6h s ARG 50 CO -0.04 -0.58 0.60 0.08 -1.08 0.00 0.00 175.30 174.28 1r6h s VAL 51 N 1.27 4.76 0.29 4.99 1.01 -1.26 -2.54 120.40 128.92 1r6h s VAL 51 Ca -0.04 -2.54 -0.18 0.00 0.00 0.00 0.00 61.98 59.21 1r6h s VAL 51 Cb -0.19 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1r6h s VAL 51 CO -0.02 -0.94 0.66 0.00 0.00 0.00 0.00 175.10 174.81 1r6h s GLU 53 N -3.68 4.28 -0.13 0.00 8.01 -1.26 -4.12 118.70 121.79 1r6h s GLU 53 Ca 0.15 2.18 -0.29 0.00 0.01 0.00 0.00 54.97 57.01 1r6h s GLU 53 Cb -0.04 -3.22 -0.01 0.00 -4.31 0.00 0.00 34.13 26.55 1r6h s GLU 53 CO 0.09 -0.50 1.14 0.54 0.01 0.00 0.00 175.26 176.54 1r6h s VAL 54 N 1.13 4.46 -0.00 2.63 0.11 -1.26 -4.87 120.40 122.60 1r6h s VAL 54 Ca 0.67 1.77 -0.00 0.00 -2.93 0.00 0.00 61.98 61.48 1r6h s VAL 54 Cb -0.39 -4.14 -0.00 0.00 -1.53 0.00 0.00 36.38 30.32 1r6h s VAL 54 CO 0.31 -0.08 -0.00 0.35 -3.33 0.00 0.00 175.10 172.35 1r6h n THR 55 N 4.97 0.01 -3.65 5.04 -2.24 -1.26 -4.94 114.28 112.21 1r6h n THR 55 Ca 0.12 -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 2.13 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 53.96 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 1.11 0.38 -1.57 0.00 0.00 175.55 174.75 1r6h h ASP 57 N 5.94 0.59 0.04 2.29 2.03 -1.99 -3.36 116.42 121.96 1r6h h ASP 57 Ca 0.14 -0.61 -0.05 0.00 -0.73 0.00 0.00 57.03 55.78 1r6h h ASP 57 Cb 0.87 -0.19 0.01 0.00 -0.83 0.00 0.00 39.33 39.18 1r6h h ASP 57 CO 0.51 1.47 -0.21 0.11 -1.03 0.00 0.00 179.24 180.08 1r6h h LYS 58 N 0.13 0.08 -0.46 4.15 1.57 -1.98 -3.24 116.57 116.82 1r6h h LYS 58 Ca -0.17 -0.14 0.08 0.00 -1.87 0.00 0.00 60.65 58.56 1r6h h LYS 58 Cb 1.99 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 34.25 1r6h h LYS 58 CO 0.22 1.05 -0.37 1.15 -0.57 0.00 0.00 179.45 180.93 1r6h h THR 59 N -0.82 0.16 -0.12 -0.16 2.02 -1.98 0.41 112.91 112.42 1r6h h THR 59 Ca -0.04 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.98 1r6h h THR 59 Cb 1.16 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1r6h h THR 59 CO 0.04 0.00 -0.56 1.55 0.37 0.00 0.00 175.52 176.92 1r6h h PRO 60 N -0.26 0.58 -0.13 6.66 0.13 -1.75 -2.87 132.00 134.36 1r6h h PRO 60 Ca 0.17 -0.47 -0.09 0.00 -0.87 0.00 0.00 66.00 64.74 1r6h h PRO 60 Cb 0.56 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1r6h h PRO 60 CO -0.59 1.10 -0.27 -0.07 -0.23 0.00 0.00 178.00 177.93 1r6h h LEU 61 N 0.21 0.46 -1.22 1.56 3.38 -1.54 -1.76 115.31 116.40 1r6h h LEU 61 Ca -0.04 -0.57 -0.07 0.00 0.09 0.00 0.00 57.88 57.29 1r6h h LEU 61 Cb 1.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1r6h h LEU 61 CO 0.12 0.94 -0.25 -0.08 0.09 0.00 0.00 178.44 179.26 1r6h h GLU 62 N -0.01 0.23 0.02 1.13 4.57 -0.32 0.71 114.58 120.91 1r6h h GLU 62 Ca 0.00 -0.07 -0.23 0.00 -1.18 0.00 0.00 59.36 57.88 1r6h h GLU 62 Cb 0.87 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.41 1r6h h GLU 62 CO 0.06 0.47 -1.12 0.87 -1.18 0.00 0.00 179.01 178.11 1r6h h LYS 63 N 0.21 0.03 0.00 1.92 1.79 -1.53 -3.33 116.57 115.66 1r6h h LYS 63 Ca 0.03 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1r6h h LYS 63 Cb 0.56 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1r6h h LYS 63 CO 0.04 0.97 -1.09 -0.25 -1.08 0.00 0.00 179.45 178.04 1r6h n ASP 64 N -3.34 0.85 -3.68 0.86 9.92 -0.66 -5.00 116.55 115.49 1r6h n ASP 64 Ca -0.03 -0.83 -0.24 0.00 -0.53 0.00 0.00 54.79 53.16 1r6h n ASP 64 Cb 0.96 1.14 0.01 0.00 -0.64 0.00 0.00 41.12 42.59 1r6h n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r6h n GLY 65 N 1.45 -1.19 3.03 0.44 0.00 0.25 -4.99 105.19 104.17 1r6h n GLY 65 Ca 0.03 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.13 0.47 -0.02 -0.61 1.01 -1.24 -5.04 121.20 112.64 1r6h s ILE 66 Ca 0.14 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 1r6h s ILE 66 Cb -0.06 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 1r6h s ILE 66 CO 0.87 -0.28 1.07 0.42 0.00 0.00 0.00 174.94 177.02 1r6h s THR 67 N -1.09 4.58 0.01 2.92 -4.23 -1.26 -4.95 115.64 111.62 1r6h s THR 67 Ca -0.08 1.86 -0.08 0.00 -1.18 0.00 0.00 61.69 62.21 1r6h s THR 67 Cb -0.08 -4.19 0.00 0.00 1.34 0.00 0.00 72.50 69.57 1r6h s THR 67 CO 0.00 0.08 0.15 0.54 -0.54 0.00 0.00 174.62 174.86 1r6h s VAL 68 N 1.48 0.10 -0.18 2.29 0.11 -1.26 0.12 120.40 123.06 1r6h s VAL 68 Ca 0.53 -0.79 -0.07 0.00 -2.93 0.00 0.00 61.98 58.72 1r6h s VAL 68 Cb -0.23 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1r6h s VAL 68 CO 0.25 -0.43 0.07 -0.69 -3.33 0.00 0.00 175.10 170.96 1r6h s VAL 69 N -1.82 4.83 -0.44 2.04 1.01 0.16 -4.89 120.40 121.28 1r6h s VAL 69 Ca -0.11 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 1r6h s VAL 69 Cb -0.05 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 33.22 1r6h s VAL 69 CO -0.00 0.47 0.34 -1.81 0.00 0.00 0.00 175.10 174.10 1r6h s ASP 70 N 0.27 6.05 -0.39 3.32 1.01 -1.26 -2.85 116.67 122.81 1r6h s ASP 70 Ca 0.04 -1.21 -0.05 0.00 0.71 0.00 0.00 52.55 52.04 1r6h s ASP 70 Cb -0.12 -2.14 0.09 0.00 1.01 0.00 0.00 42.92 41.75 1r6h s ASP 70 CO 0.00 -0.56 0.18 0.26 0.21 0.00 0.00 175.17 175.27 1r6h s TRP 71 N 1.62 3.42 0.08 4.23 0.52 -1.05 -5.06 118.94 122.71 1r6h s TRP 71 Ca 0.04 -1.95 0.03 0.00 0.02 0.00 0.00 56.10 54.24 1r6h s TRP 71 Cb -0.22 -2.89 -0.04 0.00 -1.15 0.00 0.00 33.47 29.16 1r6h s TRP 71 CO 0.07 -0.89 0.06 -1.25 0.02 0.00 0.00 176.95 174.96 1r6h s PRO 72 N 1.28 2.81 -0.23 4.98 0.04 -1.26 -1.21 135.00 141.40 1r6h s PRO 72 Ca 0.03 -0.72 0.01 0.00 0.04 0.00 0.00 61.00 60.36 1r6h s PRO 72 Cb -0.22 -2.69 0.06 0.00 0.04 0.00 0.00 34.50 31.69 1r6h s PRO 72 CO -0.01 0.56 -0.05 0.12 0.04 0.00 0.00 177.00 177.66 1r6h s PHE 73 N -1.37 2.31 0.87 0.56 5.36 -1.26 -5.00 117.98 119.46 1r6h s PHE 73 Ca 0.28 -1.70 -0.13 0.00 -0.96 0.00 0.00 56.93 54.42 1r6h s PHE 73 Cb -0.12 -1.55 0.15 0.00 -0.34 0.00 0.00 43.02 41.16 1r6h s PHE 73 CO 0.21 -0.77 1.23 0.34 -1.46 0.00 0.00 175.22 174.77 1r6h s ASP 74 N 1.42 3.78 0.41 6.13 -1.08 -1.26 -4.87 116.67 121.21 1r6h s ASP 74 Ca -0.06 0.39 0.08 0.00 -0.52 0.00 0.00 52.55 52.45 1r6h s ASP 74 Cb -0.19 -0.65 0.88 0.00 -1.46 0.00 0.00 42.92 41.51 1r6h s ASP 74 CO -0.06 -2.32 2.05 0.44 0.52 0.00 0.00 175.17 175.80 1r6h h ASP 75 N -1.29 0.46 -0.94 -0.34 3.32 -2.04 -2.82 116.42 112.77 1r6h h ASP 75 Ca -0.44 -0.01 -0.54 0.00 0.02 0.00 0.00 57.03 56.06 1r6h h ASP 75 Cb 1.27 -0.11 -0.42 0.00 0.22 0.00 0.00 39.33 40.29 1r6h h ASP 75 CO 0.49 0.32 -0.83 0.61 -1.72 0.00 0.00 179.24 178.11 1r6h n GLY 76 N -1.48 5.87 3.19 2.75 0.00 -1.26 -4.99 105.19 109.27 1r6h n GLY 76 Ca 0.04 -2.55 -0.37 0.00 0.00 0.00 0.00 46.02 43.14 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 -3.59 3.03 0.97 4.61 0.00 -1.07 -5.11 121.76 120.60 1r6h s ALA 77 Ca 0.48 -2.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.29 1r6h s ALA 77 Cb 0.40 -2.24 0.17 0.00 0.00 0.00 0.00 23.12 21.45 1r6h s ALA 77 CO -0.03 -1.49 1.09 -1.25 0.00 0.00 0.00 175.76 174.08 1r6h s PRO 78 N 1.28 0.66 -0.90 0.00 0.04 -1.26 -4.61 135.00 130.21 1r6h s PRO 78 Ca 0.01 0.94 -0.01 0.00 0.04 0.00 0.00 61.00 61.98 1r6h s PRO 78 Cb -0.21 -1.73 0.34 0.00 0.04 0.00 0.00 34.50 32.94 1r6h s PRO 78 CO -0.01 -2.68 1.79 -0.35 0.04 0.00 0.00 177.00 175.79 1r6h n PRO 79 N -4.20 4.20 -1.56 0.56 -0.04 -1.26 -5.04 135.00 127.66 1r6h n PRO 79 Ca 0.07 -4.27 -0.46 0.00 -0.04 0.00 0.00 63.50 58.80 1r6h n PRO 79 Cb 0.55 -2.37 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 1r6h n PRO 79 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1r6h n PRO 80 N -0.27 1.09 0.28 0.54 -0.02 -1.26 -4.84 135.00 130.51 1r6h n PRO 80 Ca 0.48 0.38 0.15 0.00 -2.02 0.00 0.00 63.50 62.49 1r6h n PRO 80 Cb 0.28 -1.74 0.77 0.00 -0.02 0.00 0.00 33.50 32.80 1r6h n PRO 80 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1r6h h GLY 81 N 2.24 0.00 0.36 -1.23 0.00 -2.00 -2.99 103.07 99.44 1r6h h GLY 81 Ca -0.39 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.06 1r6h h GLY 81 CO 0.63 0.00 0.40 1.70 0.00 0.00 0.00 176.54 179.26 1r6h h LYS 82 N 0.00 0.61 -0.78 4.80 3.64 -2.00 -0.27 116.57 122.57 1r6h h LYS 82 Ca -0.00 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1r6h h LYS 82 Cb 0.37 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 1r6h h LYS 82 CO 0.01 0.40 0.43 -0.39 -2.27 0.00 0.00 179.45 177.63 1r6h h VAL 83 N 0.62 0.89 -0.93 2.00 -1.51 -1.89 0.12 116.25 115.55 1r6h h VAL 83 Ca 0.41 -0.25 0.14 0.00 -1.23 0.00 0.00 66.70 65.76 1r6h h VAL 83 Cb 0.50 0.11 -0.09 0.00 -2.13 0.00 0.00 31.29 29.68 1r6h h VAL 83 CO -0.31 0.13 0.55 0.58 -1.23 0.00 0.00 177.57 177.29 1r6h h VAL 84 N 0.72 0.83 -0.10 7.19 2.07 -1.22 0.56 116.25 126.31 1r6h h VAL 84 Ca 0.37 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 1r6h h VAL 84 Cb 0.35 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1r6h h VAL 84 CO -0.25 0.15 -0.20 -0.33 0.02 0.00 0.00 177.57 176.97 1r6h h GLU 85 N 0.82 0.16 0.02 1.57 4.39 -0.52 -1.98 114.58 119.05 1r6h h GLU 85 Ca 0.49 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.14 1r6h h GLU 85 Cb 0.58 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1r6h h GLU 85 CO -0.31 0.35 -0.01 -0.44 -1.16 0.00 0.00 179.01 177.45 1r6h h ASP 86 N 0.15 -0.03 0.31 1.42 3.32 0.11 -2.28 116.42 119.42 1r6h h ASP 86 Ca 0.03 -0.31 -0.07 0.00 0.02 0.00 0.00 57.03 56.69 1r6h h ASP 86 Cb 0.44 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1r6h h ASP 86 CO 0.03 0.30 -0.33 -0.25 -1.72 0.00 0.00 179.24 177.26 1r6h h TRP 87 N -0.36 0.04 -0.31 4.55 2.91 -1.28 -2.43 115.95 119.08 1r6h h TRP 87 Ca -0.00 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.01 1r6h h TRP 87 Cb 0.34 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.96 1r6h h TRP 87 CO 0.04 0.37 0.18 -0.07 -1.03 0.00 0.00 178.44 177.93 1r6h h LEU 88 N 0.03 0.38 -0.75 0.65 3.38 -1.23 -0.52 115.31 117.25 1r6h h LEU 88 Ca 0.00 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1r6h h LEU 88 Cb 0.61 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1r6h h LEU 88 CO 0.04 0.33 0.23 0.28 0.09 0.00 0.00 178.44 179.41 1r6h h SER 89 N 0.40 1.09 0.12 -0.43 0.02 -1.14 0.49 113.55 114.09 1r6h h SER 89 Ca 0.11 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1r6h h SER 89 Cb 0.02 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 1r6h h SER 89 CO -0.02 1.01 -0.07 0.25 -1.14 0.00 0.00 176.83 176.86 1r6h h LEU 90 N 1.11 -0.17 -0.55 5.07 7.12 -1.04 -1.58 115.31 125.28 1r6h h LEU 90 Ca 0.24 0.01 -0.16 0.00 0.13 0.00 0.00 57.88 58.10 1r6h h LEU 90 Cb 0.31 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.49 1r6h h LEU 90 CO -0.01 -0.11 -0.54 1.62 -0.13 0.00 0.00 178.44 179.27 1r6h h VAL 91 N -0.18 1.32 -0.47 1.05 3.04 -0.97 -2.58 116.25 117.46 1r6h h VAL 91 Ca -0.01 -1.78 0.06 0.00 -1.01 0.00 0.00 66.70 63.96 1r6h h VAL 91 Cb 0.15 1.76 -0.05 0.00 -2.01 0.00 0.00 31.29 31.14 1r6h h VAL 91 CO 0.01 0.55 0.16 0.11 -1.01 0.00 0.00 177.57 177.40 1r6h h LYS 92 N 0.41 0.33 -0.38 4.17 1.79 0.21 0.92 116.57 124.01 1r6h h LYS 92 Ca 0.01 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1r6h h LYS 92 Cb 1.07 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 1r6h h LYS 92 CO 0.10 0.22 -0.05 0.00 -1.08 0.00 0.00 179.45 178.64 1r6h h ALA 93 N 1.31 0.51 0.00 3.86 0.00 -1.26 -1.42 119.26 122.28 1r6h h ALA 93 Ca 0.22 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1r6h h ALA 93 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1r6h h ALA 93 CO -0.23 0.33 -0.26 0.87 0.00 0.00 0.00 179.25 179.96 1r6h h LYS 94 N 0.51 0.00 0.04 0.00 1.79 -0.98 -2.24 116.57 115.68 1r6h h LYS 94 Ca 0.10 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1r6h h LYS 94 Cb 0.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1r6h h LYS 94 CO 0.03 0.26 -0.02 0.74 -1.08 0.00 0.00 179.45 179.38 1r6h h PHE 95 N 0.00 -0.04 -0.99 -1.35 -1.00 0.11 -0.81 116.94 112.86 1r6h h PHE 95 Ca -0.00 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.79 1r6h h PHE 95 Cb 0.66 0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.18 1r6h h PHE 95 CO 0.00 0.63 0.66 0.00 -1.61 0.00 0.00 178.31 177.99 1r6h h GLU 97 N 1.32 0.22 -3.09 0.00 4.81 -1.50 -3.39 114.58 112.94 1r6h h GLU 97 Ca 0.37 -0.24 -0.62 0.00 -0.13 0.00 0.00 59.36 58.74 1r6h h GLU 97 Cb -0.12 0.07 -0.40 0.00 0.63 0.00 0.00 28.75 28.93 1r6h h GLU 97 CO -0.09 0.97 -0.70 0.00 -0.73 0.00 0.00 179.01 178.46 1r6h s ALA 98 N -3.20 2.67 0.02 2.92 0.00 -0.31 -5.08 121.76 118.78 1r6h s ALA 98 Ca -0.03 -2.95 -0.30 0.00 0.00 0.00 0.00 51.96 48.68 1r6h s ALA 98 Cb 0.10 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 1r6h s ALA 98 CO 0.83 -2.05 1.23 -1.25 0.00 0.00 0.00 175.76 174.52 1r6h s PRO 99 N -0.08 4.39 -1.09 0.00 0.04 -1.04 -3.78 135.00 133.44 1r6h s PRO 99 Ca 0.19 1.78 -0.05 0.00 0.04 0.00 0.00 61.00 62.96 1r6h s PRO 99 Cb -0.21 -3.43 -0.05 0.00 0.04 0.00 0.00 34.50 30.85 1r6h s PRO 99 CO -0.03 -0.35 0.93 0.41 0.04 0.00 0.00 177.00 178.00 1r6h n GLY 100 N 3.32 -0.96 0.00 0.56 0.00 -1.26 -4.97 105.19 101.88 1r6h n GLY 100 Ca 0.10 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.18 0.10 -4.18 1.61 2.88 -1.25 -4.64 113.62 104.96 1r6h n SER 101 Ca -0.13 -0.31 -0.34 0.00 -1.33 0.00 0.00 58.87 56.76 1r6h n SER 101 Cb 0.63 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.95 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 1.29 3.76 0.01 0.00 1.01 -1.02 0.24 120.40 125.68 1r6h s VAL 103 Ca -0.02 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 60.91 1r6h s VAL 103 Cb -0.18 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1r6h s VAL 103 CO -0.04 0.09 -0.24 0.00 0.00 0.00 0.00 175.10 174.92 1r6h s ALA 104 N -1.32 2.03 0.14 5.51 0.00 -1.05 0.86 121.76 127.93 1r6h s ALA 104 Ca 0.24 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 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 0.17 0.49 0.07 0.08 0.00 0.00 0.00 175.76 176.57 1r6h s VAL 105 N -0.67 0.08 0.70 0.00 1.01 0.47 -0.94 120.40 121.06 1r6h s VAL 105 Ca 0.10 -1.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.01 1r6h s VAL 105 Cb -0.09 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.19 1r6h s VAL 105 CO 0.00 -0.38 1.14 -2.28 0.00 0.00 0.00 175.10 173.58 1r6h s HIS 106 N -4.07 2.40 -0.33 5.22 5.65 -1.05 0.06 115.29 123.17 1r6h s HIS 106 Ca 0.27 1.58 -0.28 0.00 0.25 0.00 0.00 55.06 56.87 1r6h s HIS 106 Cb 0.07 -3.26 -0.01 0.00 -1.18 0.00 0.00 32.58 28.20 1r6h s HIS 106 CO 0.03 -2.02 1.72 0.00 -0.65 0.00 0.00 174.74 173.83 1r6h n VAL 108 N 7.29 0.00 0.00 0.00 0.24 -1.26 -3.85 118.33 120.75 1r6h n VAL 108 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.52 1r6h n VAL 108 Cb 0.47 -0.58 0.00 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 -0.97 1.07 -3.00 2.33 0.00 -1.26 -4.24 120.51 114.44 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 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1r6h n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r6h n GLY 110 N -1.43 4.93 3.40 0.00 0.00 -1.25 -5.06 105.19 105.79 1r6h n GLY 110 Ca 0.00 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 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 2.98 0.00 0.99 1.43 -1.26 -4.11 118.68 118.71 1r6h s LEU 111 Ca 0.00 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1r6h s LEU 111 Cb 0.00 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.51 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 3.89 2.70 0.00 -3.19 0.00 -1.26 -4.88 105.19 102.44 1r6h n GLY 112 Ca -0.18 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.78 -0.19 1.61 3.00 -1.26 -3.84 116.66 116.76 1r6h n ARG 113 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.83 1r6h n ARG 113 Cb 0.00 -0.93 0.10 0.00 0.00 0.00 0.00 32.46 31.62 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 0.70 -0.46 7.54 0.00 -1.88 -2.74 119.26 122.43 1r6h h ALA 114 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1r6h h ALA 114 Cb 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1r6h h ALA 114 CO 0.00 -0.25 0.01 -1.00 0.00 0.00 0.00 179.25 178.02 1r6h h PRO 115 N 0.33 0.13 0.06 0.00 0.13 -1.87 -0.17 132.00 130.61 1r6h h PRO 115 Ca 0.29 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.43 1r6h h PRO 115 Cb 0.38 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.45 1r6h h PRO 115 CO -0.33 0.08 -0.20 0.28 -0.23 0.00 0.00 178.00 177.60 1r6h h VAL 116 N 0.13 0.53 -0.66 1.56 2.07 -1.83 -2.32 116.25 115.73 1r6h h VAL 116 Ca 0.23 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.87 1r6h h VAL 116 Cb 0.33 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 1r6h h VAL 116 CO -0.37 0.00 0.22 -0.07 0.02 0.00 0.00 177.57 177.37 1r6h h LEU 117 N -0.36 0.17 -0.28 2.57 3.38 -1.15 -2.12 115.31 117.52 1r6h h LEU 117 Ca 0.04 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1r6h h LEU 117 Cb 0.41 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 1r6h h LEU 117 CO -0.15 0.08 -0.22 0.58 0.09 0.00 0.00 178.44 178.83 1r6h h VAL 118 N 0.37 0.42 -0.58 1.22 2.07 -0.50 -0.89 116.25 118.36 1r6h h VAL 118 Ca 0.35 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.95 1r6h h VAL 118 Cb 0.50 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1r6h h VAL 118 CO -0.37 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.46 1r6h h ALA 119 N 0.90 0.75 -0.53 1.67 0.00 -1.09 0.08 119.26 121.05 1r6h h ALA 119 Ca 0.15 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.26 1r6h h ALA 119 Cb 0.43 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1r6h h ALA 119 CO -0.40 -0.15 0.38 -0.07 0.00 0.00 0.00 179.25 179.01 1r6h h LEU 120 N 0.45 0.09 -0.02 0.00 3.38 -0.69 -0.38 115.31 118.14 1r6h h LEU 120 Ca 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1r6h h LEU 120 Cb 0.30 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1r6h h LEU 120 CO -0.26 0.05 -0.05 0.00 0.09 0.00 0.00 178.44 178.27 1r6h h ALA 121 N 1.74 0.03 0.00 1.53 0.00 -0.01 -3.01 119.26 119.54 1r6h h ALA 121 Ca 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1r6h h ALA 121 Cb 0.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1r6h h ALA 121 CO -0.02 -0.13 0.00 -0.11 0.00 0.00 0.00 179.25 178.99 1r6h n LEU 122 N -4.74 0.55 0.02 0.00 7.94 -0.68 -2.54 117.00 117.55 1r6h n LEU 122 Ca -0.09 0.67 0.10 0.00 -1.11 0.00 0.00 56.01 55.59 1r6h n LEU 122 Cb 0.33 -0.63 0.54 0.00 0.53 0.00 0.00 43.42 44.19 1r6h n LEU 122 CO 0.35 -0.62 1.16 0.40 -1.11 0.00 0.00 177.39 177.56 1r6h h ILE 123 N 0.00 0.94 0.00 1.96 2.04 -0.96 0.38 117.51 121.88 1r6h h ILE 123 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1r6h h ILE 123 Cb 0.25 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1r6h h ILE 123 CO 0.00 0.05 0.00 1.05 0.00 0.00 0.00 178.15 179.25 1r6h h GLU 124 N 0.29 0.00 0.00 2.37 -0.00 -1.65 -3.00 114.58 112.59 1r6h h GLU 124 Ca 0.18 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.47 1r6h h GLU 124 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.10 1r6h h GLU 124 CO -0.04 0.00 -0.34 1.03 -0.00 0.00 0.00 179.01 179.66 1r6h h SER 125 N 0.00 0.00 0.00 3.06 0.87 -1.12 -3.50 113.55 112.86 1r6h h SER 125 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1r6h h SER 125 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1r6h h SER 125 CO 0.00 0.34 0.00 0.61 -0.53 0.00 0.00 176.83 177.25 1r6h n GLY 126 N 1.16 -0.29 3.44 5.77 0.00 -1.13 -5.00 105.19 109.12 1r6h n GLY 126 Ca 0.03 0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1r6h n GLY 126 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1r6h n MET 127 N 0.00 0.49 0.04 1.61 -0.00 -1.26 -4.67 117.12 113.33 1r6h n MET 127 Ca 0.00 -1.47 -0.02 0.00 -0.00 0.00 0.00 57.70 56.21 1r6h n MET 127 Cb 0.00 -3.01 -0.01 0.00 -0.00 0.00 0.00 33.22 30.20 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 9.88 -0.12 -0.28 3.17 2.10 -1.84 -1.21 116.57 128.27 1r6h h LYS 128 Ca 0.24 0.01 -0.08 0.00 -2.00 0.00 0.00 60.65 58.81 1r6h h LYS 128 Cb 0.78 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.12 1r6h h LYS 128 CO 1.73 -0.08 -0.16 -0.92 -2.00 0.00 0.00 179.45 178.02 1r6h h TYR 129 N -0.25 0.54 0.11 0.07 3.20 -1.90 0.44 116.97 119.18 1r6h h TYR 129 Ca -0.01 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1r6h h TYR 129 Cb 0.09 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1r6h h TYR 129 CO 0.07 0.64 -0.05 0.93 -1.64 0.00 0.00 178.16 178.11 1r6h h GLU 130 N 0.46 -0.14 -0.09 1.82 5.08 -1.93 -2.60 114.58 117.18 1r6h h GLU 130 Ca 0.08 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1r6h h GLU 130 Cb 0.55 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1r6h h GLU 130 CO 0.04 0.35 -0.53 0.22 -1.00 0.00 0.00 179.01 178.09 1r6h h ASP 131 N -0.76 0.26 -0.00 1.42 3.58 -1.21 -0.54 116.42 119.18 1r6h h ASP 131 Ca -0.01 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1r6h h ASP 131 Cb 0.56 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 1r6h h ASP 131 CO 0.02 0.74 0.00 0.00 -2.88 0.00 0.00 179.24 177.13 1r6h h ALA 132 N 1.26 0.00 -0.27 -0.78 0.00 -0.18 1.23 119.26 120.52 1r6h h ALA 132 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1r6h h ALA 132 Cb 0.99 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1r6h h ALA 132 CO 0.08 -0.49 -0.46 0.82 0.00 0.00 0.00 179.25 179.20 1r6h h ILE 133 N -0.02 1.29 0.01 0.00 1.08 -1.42 -1.80 117.51 116.66 1r6h h ILE 133 Ca 0.00 -1.65 -0.00 0.00 -0.39 0.00 0.00 64.86 62.82 1r6h h ILE 133 Cb 0.02 1.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 1r6h h ILE 133 CO -0.00 0.53 -0.00 -0.61 -0.69 0.00 0.00 178.15 177.38 1r6h h GLN 134 N 0.55 -0.01 -0.36 2.37 4.15 -0.96 -0.64 115.11 120.21 1r6h h GLN 134 Ca 0.02 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 1r6h h GLN 134 Cb 1.06 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.74 1r6h h GLN 134 CO 0.10 0.71 -0.12 0.35 -1.93 0.00 0.00 178.83 177.94 1r6h h PHE 135 N -0.76 0.69 -0.10 3.99 3.57 0.14 -2.39 116.94 122.09 1r6h h PHE 135 Ca -0.00 -0.12 -0.23 0.00 3.53 0.00 0.00 57.97 61.15 1r6h h PHE 135 Cb 0.73 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.30 1r6h h PHE 135 CO 0.18 0.73 -0.83 0.97 -2.23 0.00 0.00 178.31 177.13 1r6h h ILE 136 N 0.58 1.29 -0.71 1.41 2.10 -1.37 -3.22 117.51 117.59 1r6h h ILE 136 Ca 0.10 -2.04 0.04 0.00 1.08 0.00 0.00 64.86 64.04 1r6h h ILE 136 Cb 0.55 2.13 -0.04 0.00 -1.09 0.00 0.00 36.82 38.37 1r6h h ILE 136 CO 0.03 0.64 0.47 -0.09 -1.08 0.00 0.00 178.15 178.12 1r6h h ARG 137 N 0.44 0.82 -0.46 2.19 2.43 -0.91 -2.30 114.38 116.58 1r6h h ARG 137 Ca -0.07 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1r6h h ARG 137 Cb 1.47 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 1r6h h ARG 137 CO 0.17 0.54 0.29 0.37 -1.51 0.00 0.00 179.97 179.83 1r6h h GLN 138 N 0.84 0.58 -6.65 0.20 -0.00 -1.44 -3.42 115.11 105.21 1r6h h GLN 138 Ca 0.29 -0.03 -0.51 0.00 -0.00 0.00 0.00 58.65 58.40 1r6h h GLN 138 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.43 1r6h h GLN 138 CO -0.08 0.38 0.02 0.15 0.00 0.00 0.00 178.83 179.30 1r6h s LYS 139 N -6.15 3.87 -0.23 1.69 3.01 -0.87 -5.02 119.74 116.05 1r6h s LYS 139 Ca -0.13 0.47 -0.29 0.00 -1.01 0.00 0.00 55.97 55.01 1r6h s LYS 139 Cb 0.12 -2.50 -0.01 0.00 -1.01 0.00 0.00 37.83 34.43 1r6h s LYS 139 CO 0.73 0.17 1.38 0.50 0.51 0.00 0.00 175.35 178.64 1r6h s ARG 140 N -3.15 3.99 0.33 1.68 3.00 -1.26 -4.89 118.95 118.65 1r6h s ARG 140 Ca 0.51 1.52 0.09 0.00 -1.00 0.00 0.00 55.73 56.85 1r6h s ARG 140 Cb -0.11 -3.89 -0.05 0.00 0.00 0.00 0.00 34.95 30.91 1r6h s ARG 140 CO 0.22 -1.03 0.02 1.03 0.00 0.00 0.00 175.30 175.54 1r6h s ARG 141 N 4.08 2.12 0.33 5.12 3.00 -1.26 -4.28 118.95 128.05 1r6h s ARG 141 Ca 0.60 -1.69 -0.05 0.00 0.00 0.00 0.00 55.73 54.60 1r6h s ARG 141 Cb -0.21 -1.97 0.07 0.00 0.00 0.00 0.00 34.95 32.84 1r6h s ARG 141 CO 0.22 0.17 0.16 0.41 0.00 0.00 0.00 175.30 176.27 1r6h n GLY 142 N -0.95 -2.55 3.53 -3.53 0.00 -1.25 -4.79 105.19 95.65 1r6h n GLY 142 Ca -0.04 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1r6h n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r6h s ALA 143 N -2.02 2.84 -0.45 4.61 0.00 -1.26 -4.88 121.76 120.60 1r6h s ALA 143 Ca 0.13 -1.56 -0.23 0.00 0.00 0.00 0.00 51.96 50.29 1r6h s ALA 143 Cb -0.02 -4.18 0.03 0.00 0.00 0.00 0.00 23.12 18.94 1r6h s ALA 143 CO 0.11 -3.19 0.78 0.96 0.00 0.00 0.00 175.76 174.42 1r6h s ILE 144 N 5.25 4.65 0.00 0.00 -4.36 -1.26 -4.92 121.20 120.55 1r6h s ILE 144 Ca 0.33 0.39 0.00 0.00 -0.26 0.00 0.00 60.65 61.11 1r6h s ILE 144 Cb -0.10 -4.33 0.00 0.00 1.25 0.00 0.00 42.46 39.29 1r6h s ILE 144 CO 0.12 -0.73 0.00 -3.20 0.24 0.00 0.00 174.94 171.37 1r6h n ASN 145 N 6.72 0.00 -0.08 4.36 5.15 -1.26 -4.91 115.26 125.24 1r6h n ASN 145 Ca 0.02 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.92 1r6h n ASN 145 Cb 0.48 -0.06 -0.03 0.00 -0.53 0.00 0.00 39.78 39.64 1r6h n ASN 145 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1r6h n SER 146 N -1.64 1.79 -0.04 1.20 2.88 -1.26 -4.51 113.62 112.04 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 -0.73 -0.02 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 -0.92 -0.15 0.01 -1.46 3.11 -1.96 0.18 116.57 115.37 1r6h h LYS 147 Ca 0.00 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.87 1r6h h LYS 147 Cb 0.91 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.15 1r6h h LYS 147 CO 0.00 -0.10 -0.13 0.37 -2.81 0.00 0.00 179.45 176.78 1r6h h GLN 148 N -0.16 -0.22 -0.13 1.90 -0.00 -1.93 0.68 115.11 115.26 1r6h h GLN 148 Ca 0.12 0.01 -0.20 0.00 -0.00 0.00 0.00 58.65 58.59 1r6h h GLN 148 Cb 0.34 0.05 0.01 0.00 0.00 0.00 0.00 27.48 27.88 1r6h h GLN 148 CO -0.31 -0.15 -0.70 -0.07 0.00 0.00 0.00 178.83 177.61 1r6h h LEU 149 N -0.23 0.83 -0.34 -2.39 -0.00 -1.77 -2.65 115.31 108.76 1r6h h LEU 149 Ca 0.04 -0.64 -0.14 0.00 -0.00 0.00 0.00 57.88 57.14 1r6h h LEU 149 Cb 0.28 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 1r6h h LEU 149 CO -0.12 1.34 -0.33 0.74 -0.00 0.00 0.00 178.44 180.06 1r6h h THR 150 N 0.38 1.29 0.06 0.22 2.02 -0.58 -1.65 112.91 114.64 1r6h h THR 150 Ca -0.05 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.62 1r6h h THR 150 Cb 1.34 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1r6h h THR 150 CO 0.14 0.49 -0.03 0.22 0.37 0.00 0.00 175.52 176.72 1r6h h TYR 151 N 0.61 -0.07 -0.07 3.16 3.20 0.32 -2.01 116.97 122.10 1r6h h TYR 151 Ca 0.05 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 1r6h h TYR 151 Cb 0.92 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1r6h h TYR 151 CO 0.07 0.09 -0.33 1.25 -1.64 0.00 0.00 178.16 177.60 1r6h h LEU 152 N -0.22 0.13 -0.99 2.82 6.46 -1.52 -0.68 115.31 121.31 1r6h h LEU 152 Ca -0.01 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1r6h h LEU 152 Cb 0.19 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 1r6h h LEU 152 CO 0.01 0.46 0.54 -0.08 -0.62 0.00 0.00 178.44 178.75 1r6h h GLU 153 N 0.11 1.24 0.00 1.25 4.22 -1.07 -0.18 114.58 120.15 1r6h h GLU 153 Ca 0.01 -0.12 -0.05 0.00 0.08 0.00 0.00 59.36 59.29 1r6h h GLU 153 Cb 0.64 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1r6h h GLU 153 CO 0.05 0.87 -0.25 -0.22 -2.18 0.00 0.00 179.01 177.28 1r6h h LYS 154 N 1.25 0.00 -0.58 1.92 3.11 -0.79 -3.17 116.57 118.32 1r6h h LYS 154 Ca 0.32 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 58.06 1r6h h LYS 154 Cb -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.17 1r6h h LYS 154 CO -0.06 0.25 -0.03 -0.92 -2.81 0.00 0.00 179.45 175.88 1r6h h TYR 155 N 0.00 1.13 -3.47 1.91 5.03 0.47 -3.41 116.97 118.64 1r6h h TYR 155 Ca -0.00 -0.20 -0.64 0.00 2.58 0.00 0.00 58.73 60.46 1r6h h TYR 155 Cb 1.00 -0.29 -0.21 0.00 1.55 0.00 0.00 36.73 38.77 1r6h h TYR 155 CO 0.00 1.01 -0.63 0.50 -1.32 0.00 0.00 178.16 177.72 1r6h s ARG 156 N -4.96 3.70 0.63 1.82 3.00 -0.78 -5.06 118.95 117.30 1r6h s ARG 156 Ca -0.11 -0.47 -0.17 0.00 -1.00 0.00 0.00 55.73 53.97 1r6h s ARG 156 Cb 0.14 -3.17 -0.01 0.00 0.00 0.00 0.00 34.95 31.90 1r6h s ARG 156 CO 0.86 0.01 1.19 -1.25 0.00 0.00 0.00 175.30 176.10 1r6h s PRO 157 N 1.04 2.77 -0.13 5.12 0.04 -1.26 -4.85 135.00 137.73 1r6h s PRO 157 Ca 0.03 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 62.75 1r6h s PRO 157 Cb -0.14 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.54 1r6h s PRO 157 CO 0.02 -1.34 0.28 0.15 0.04 0.00 0.00 177.00 176.15 1r6h s LYS 158 N -3.58 0.19 0.64 4.56 -0.14 -1.26 -5.01 119.74 115.13 1r6h s LYS 158 Ca 0.75 0.71 0.38 0.00 -1.36 0.00 0.00 55.97 56.44 1r6h s LYS 158 Cb -0.28 -0.04 2.13 0.00 -1.68 0.00 0.00 37.83 37.97 1r6h s LYS 158 CO 0.37 -0.24 2.29 1.96 -0.76 0.00 0.00 175.35 178.97 1r6h h GLN 159 N 7.90 0.00 -0.89 1.68 4.20 -1.94 -2.00 115.11 124.06 1r6h h GLN 159 Ca -0.23 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.50 1r6h h GLN 159 Cb 1.13 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.86 1r6h h GLN 159 CO 0.21 0.00 0.58 0.00 -0.67 0.00 0.00 178.83 178.95 1r6h h ARG 160 N 0.00 1.11 -0.32 1.46 3.08 -1.95 -2.57 114.38 115.19 1r6h h ARG 160 Ca 0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1r6h h ARG 160 Cb 0.07 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1r6h h ARG 160 CO -0.00 0.73 0.21 1.25 -1.07 0.00 0.00 179.97 181.09 1r6h h LEU 161 N 1.14 0.37-10.24 3.04 5.85 -1.75 -3.43 115.31 110.28 1r6h h LEU 161 Ca 0.35 -0.01 -0.44 0.00 0.84 0.00 0.00 57.88 58.61 1r6h h LEU 161 Cb -0.04 -0.09 0.19 0.00 0.37 0.00 0.00 40.66 41.09 1r6h h LEU 161 CO -0.10 0.27 0.09 -0.60 -0.34 0.00 0.00 178.44 177.75 1r6h s ARG 162 N -6.16 -0.37 -0.07 1.25 3.52 -0.97 -4.98 118.95 111.17 1r6h s ARG 162 Ca -0.13 0.68 -0.27 0.00 -0.13 0.00 0.00 55.73 55.88 1r6h s ARG 162 Cb 0.10 -1.63 -0.23 0.00 -1.56 0.00 0.00 34.95 31.63 1r6h s ARG 162 CO 0.71 -3.31 1.02 0.35 -0.81 0.00 0.00 175.30 173.26 1r6h h PHE 163 N -2.32 0.06 -2.36 5.12 3.57 -1.84 -3.43 116.94 115.73 1r6h h PHE 163 Ca -0.59 -0.03 -0.56 0.00 3.53 0.00 0.00 57.97 60.32 1r6h h PHE 163 Cb 1.33 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1r6h h PHE 163 CO 0.27 0.79 1.29 0.15 -2.23 0.00 0.00 178.31 178.58 1r6h s LYS 164 N -3.22 3.72 0.18 1.11 1.02 -1.26 -4.96 119.74 116.33 1r6h s LYS 164 Ca -0.17 2.16 -0.29 0.00 0.02 0.00 0.00 55.97 57.69 1r6h s LYS 164 Cb -0.00 -4.19 -0.08 0.00 -0.52 0.00 0.00 37.83 33.04 1r6h s LYS 164 CO 0.70 -1.42 0.91 0.34 -0.92 0.00 0.00 175.35 174.95 1r6h s ASP 165 N 5.62 7.53 1.20 2.83 -1.08 -1.26 -4.80 116.67 126.71 1r6h s ASP 165 Ca 0.88 1.82 -0.17 0.00 -0.52 0.00 0.00 52.55 54.56 1r6h s ASP 165 Cb -0.35 -2.58 0.25 0.00 -1.46 0.00 0.00 42.92 38.79 1r6h s ASP 165 CO 0.36 0.09 0.91 -0.81 0.52 0.00 0.00 175.17 176.25 1r6h n PRO 166 N 1.97 -2.69 0.07 4.34 -0.04 -1.26 -5.01 135.00 132.38 1r6h n PRO 166 Ca -0.01 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 1r6h n PRO 166 Cb 0.48 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1r6h n PRO 166 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1r6h n HIS 167 N -4.41 -2.68 -3.86 0.54 -0.00 -1.26 -5.16 115.22 98.38 1r6h n HIS 167 Ca 0.13 0.49 -0.09 0.00 0.46 0.00 0.00 57.72 58.71 1r6h n HIS 167 Cb 0.49 1.47 -0.07 0.00 -0.12 0.00 0.00 29.99 31.76 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 -1.45 0.11 0.00 3.57 -4.23 -1.26 -5.08 115.64 107.31 1r6h s THR 168 Ca 0.00 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1r6h s THR 168 Cb 0.00 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.36 1r6h s THR 168 CO 0.00 -0.50 0.00 1.57 -0.54 0.00 0.00 174.62 175.15 1r6h n HIS 169 N -0.13 0.00 -4.10 3.99 -0.00 -1.26 -5.13 115.22 108.59 1r6h n HIS 169 Ca -0.13 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.96 1r6h n HIS 169 Cb 0.63 0.28 -0.10 0.00 -0.12 0.00 0.00 29.99 30.68 1r6h n HIS 169 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1r6h s LYS 170 N -1.82 0.86 -0.66 1.57 1.02 -1.26 -5.09 119.74 114.35 1r6h s LYS 170 Ca 0.00 -1.33 -0.26 0.00 0.02 0.00 0.00 55.97 54.40 1r6h s LYS 170 Cb 0.00 0.25 -0.02 0.00 -0.52 0.00 0.00 37.83 37.55 1r6h s LYS 170 CO 0.00 -0.23 1.79 -0.08 -0.92 0.00 0.00 175.35 175.91 1r6h s THR 171 N -4.00 3.42 -0.19 2.17 -1.32 -1.26 -5.26 115.64 109.20 1r6h s THR 171 Ca 0.18 0.15 0.02 0.00 -1.21 0.00 0.00 61.69 60.82 1r6h s THR 171 Cb 0.07 -4.08 0.01 0.00 -1.51 0.00 0.00 72.50 66.99 1r6h s THR 171 CO -0.02 -1.05 0.55 0.54 -2.21 0.00 0.00 174.62 172.43