#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5i s LYS 2 N 0.00 3.39 -0.06 6.28 1.02 -1.26 -4.99 119.74 124.12 1r5i s LYS 2 Ca 0.00 0.84 -0.24 0.00 0.02 0.00 0.00 55.97 56.59 1r5i s LYS 2 Cb 0.00 -4.11 -0.03 0.00 -0.52 0.00 0.00 37.83 33.17 1r5i s LYS 2 CO 0.00 -1.81 0.73 -2.00 -0.92 0.00 0.00 175.35 171.36 1r5i s GLU 3 N 5.37 4.44 -0.24 1.68 2.12 -1.26 -4.98 118.70 125.84 1r5i s GLU 3 Ca 0.62 0.94 -0.04 0.00 0.36 0.00 0.00 54.97 56.85 1r5i s GLU 3 Cb -0.14 -3.45 -0.13 0.00 0.26 0.00 0.00 34.13 30.67 1r5i s GLU 3 CO 0.30 0.03 -0.25 0.39 -0.54 0.00 0.00 175.26 175.19 1r5i n GLU 4 N 3.86 0.55 -4.04 4.30 1.02 -1.26 -5.06 120.64 120.00 1r5i n GLU 4 Ca -0.00 0.17 -0.08 0.00 -0.02 0.00 0.00 57.16 57.23 1r5i n GLU 4 Cb 0.51 -1.42 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 1r5i n GLU 4 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1r5i s HIS 5 N -2.45 0.42 -0.03 -0.32 3.76 -1.26 -5.06 115.29 110.34 1r5i s HIS 5 Ca -0.32 -0.88 -0.01 0.00 -0.15 0.00 0.00 55.06 53.70 1r5i s HIS 5 Cb 0.10 -0.31 0.03 0.00 1.11 0.00 0.00 32.58 33.51 1r5i s HIS 5 CO 0.49 -0.34 0.04 0.08 -0.85 0.00 0.00 174.74 174.16 1r5i s VAL 6 N -3.22 -0.05 -0.21 -0.90 1.01 -1.26 -5.02 120.40 110.75 1r5i s VAL 6 Ca 0.00 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1r5i s VAL 6 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.25 1r5i s VAL 6 CO -0.07 0.15 -0.06 -0.63 0.00 0.00 0.00 175.10 174.49 1r5i s ILE 7 N 1.69 3.26 -0.08 2.22 1.01 -1.26 -0.97 121.20 127.07 1r5i s ILE 7 Ca -0.01 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1r5i s ILE 7 Cb -0.12 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 1r5i s ILE 7 CO -0.03 0.44 -0.20 -0.63 0.00 0.00 0.00 174.94 174.52 1r5i s ILE 8 N 1.43 2.49 -0.33 2.92 1.01 0.19 -4.95 121.20 123.96 1r5i s ILE 8 Ca 0.05 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 1r5i s ILE 8 Cb -0.14 -1.97 -0.00 0.00 0.01 0.00 0.00 42.46 40.36 1r5i s ILE 8 CO -0.04 0.56 0.19 -1.58 0.00 0.00 0.00 174.94 174.07 1r5i s GLN 9 N -0.05 3.25 -0.08 2.79 0.74 -1.26 -0.32 119.66 124.72 1r5i s GLN 9 Ca -0.05 -0.79 0.04 0.00 0.05 0.00 0.00 55.36 54.61 1r5i s GLN 9 Cb -0.14 -3.67 -0.00 0.00 1.10 0.00 0.00 33.01 30.30 1r5i s GLN 9 CO 0.04 -0.50 -0.22 0.00 -0.55 0.00 0.00 175.29 174.07 1r5i s ALA 10 N 1.63 2.00 0.04 1.58 0.00 -1.26 -5.02 121.76 120.73 1r5i s ALA 10 Ca 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 1r5i s ALA 10 Cb -0.18 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1r5i s ALA 10 CO 0.07 0.30 -0.01 -1.83 0.00 0.00 0.00 175.76 174.30 1r5i s GLU 11 N 0.22 0.54 0.17 0.00 -1.05 -1.26 -4.28 118.70 113.05 1r5i s GLU 11 Ca -0.13 -1.01 -0.21 0.00 -0.15 0.00 0.00 54.97 53.46 1r5i s GLU 11 Cb -0.16 0.19 0.06 0.00 -0.44 0.00 0.00 34.13 33.78 1r5i s GLU 11 CO 0.06 -0.11 0.58 -0.59 0.95 0.00 0.00 175.26 176.16 1r5i s PHE 12 N -3.18 -0.42 -0.03 4.83 -0.12 -0.53 -4.97 117.98 113.55 1r5i s PHE 12 Ca 0.00 0.16 -0.02 0.00 -0.05 0.00 0.00 56.93 57.02 1r5i s PHE 12 Cb 0.03 0.53 0.01 0.00 -0.63 0.00 0.00 43.02 42.95 1r5i s PHE 12 CO -0.07 -0.88 0.08 -0.47 -0.05 0.00 0.00 175.22 173.83 1r5i s TYR 13 N -3.79 -0.08 -0.03 3.49 5.04 -1.26 -0.93 117.35 119.80 1r5i s TYR 13 Ca 0.03 0.23 0.04 0.00 -2.44 0.00 0.00 57.07 54.93 1r5i s TYR 13 Cb -0.01 -0.02 -0.00 0.00 0.35 0.00 0.00 41.96 42.28 1r5i s TYR 13 CO -0.10 -0.06 -0.13 -1.17 -1.34 0.00 0.00 175.55 172.75 1r5i s LEU 14 N 0.30 1.91 0.19 6.97 2.96 0.38 -4.99 118.68 126.40 1r5i s LEU 14 Ca -0.02 -0.26 0.10 0.00 -0.22 0.00 0.00 54.13 53.72 1r5i s LEU 14 Cb -0.03 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 1r5i s LEU 14 CO -0.01 0.13 -0.17 0.20 -1.32 0.00 0.00 176.35 175.18 1r5i s ASN 15 N -0.04 3.83 0.00 3.68 0.01 -1.26 0.39 114.94 121.55 1r5i s ASN 15 Ca -0.00 -0.73 0.14 0.00 -0.71 0.00 0.00 52.86 51.56 1r5i s ASN 15 Cb -0.08 -0.48 0.67 0.00 0.41 0.00 0.00 41.25 41.76 1r5i s ASN 15 CO 0.01 0.11 1.46 -0.81 -1.51 0.00 0.00 177.10 176.36 1r5i n PRO 16 N 0.16 1.32 -0.06 -0.60 -0.04 -1.26 -4.87 135.00 129.66 1r5i n PRO 16 Ca -0.12 -0.49 0.15 0.00 -0.04 0.00 0.00 63.50 63.00 1r5i n PRO 16 Cb 0.56 -1.26 0.57 0.00 -0.04 0.00 0.00 33.50 33.33 1r5i n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1r5i h ASP 17 N 0.92 0.23 -5.12 3.54 5.19 -2.02 -3.46 116.42 115.71 1r5i h ASP 17 Ca 0.00 0.01 -0.31 0.00 -0.62 0.00 0.00 57.03 56.11 1r5i h ASP 17 Cb 0.21 -0.04 0.13 0.00 0.18 0.00 0.00 39.33 39.81 1r5i h ASP 17 CO 0.00 0.13 -0.62 0.00 -3.12 0.00 0.00 179.24 175.63 1r5i n GLN 18 N -4.45 -6.13 -5.03 3.56 6.02 0.16 -5.01 117.38 106.50 1r5i n GLN 18 Ca 0.10 0.72 -0.28 0.00 -0.01 0.00 0.00 57.00 57.53 1r5i n GLN 18 Cb 0.47 -5.38 -0.16 0.00 1.02 0.00 0.00 30.24 26.19 1r5i n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1r5i s SER 19 N -3.79 2.55 0.37 1.08 1.04 -1.07 -4.95 113.70 108.92 1r5i s SER 19 Ca 0.21 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.26 1r5i s SER 19 Cb -0.09 -0.64 -0.05 0.00 0.10 0.00 0.00 66.02 65.34 1r5i s SER 19 CO 0.62 0.21 0.06 -0.83 0.98 0.00 0.00 173.24 174.28 1r5i s GLY 20 N -0.13 2.31 -0.09 7.32 0.00 -1.26 -0.47 107.32 115.00 1r5i s GLY 20 Ca -0.02 -1.80 -0.21 0.00 0.00 0.00 0.00 44.72 42.69 1r5i s GLY 20 CO 0.02 -1.89 0.50 1.85 0.00 0.00 0.00 173.10 173.58 1r5i s GLU 21 N -3.83 0.77 0.00 2.90 2.12 -0.10 -4.96 118.70 115.59 1r5i s GLU 21 Ca 0.31 0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.90 1r5i s GLU 21 Cb 0.07 0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.81 1r5i s GLU 21 CO 0.15 -0.19 0.02 0.12 -0.54 0.00 0.00 175.26 174.82 1r5i s PHE 22 N -0.71 0.09 0.00 5.30 2.19 -1.26 -1.45 117.98 122.13 1r5i s PHE 22 Ca -0.08 -0.17 0.01 0.00 0.33 0.00 0.00 56.93 57.02 1r5i s PHE 22 Cb -0.03 -0.07 -0.00 0.00 -1.31 0.00 0.00 43.02 41.60 1r5i s PHE 22 CO 0.05 -0.12 -0.04 -0.06 1.83 0.00 0.00 175.22 176.88 1r5i s PHE 24 N -0.74 0.34 -0.00 10.12 0.40 -0.09 -1.86 117.98 126.14 1r5i s PHE 24 Ca -0.08 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.20 1r5i s PHE 24 Cb -0.05 -0.21 -0.01 0.00 0.51 0.00 0.00 43.02 43.25 1r5i s PHE 24 CO -0.00 -0.01 -0.13 0.34 0.70 0.00 0.00 175.22 176.12 1r5i s ASP 25 N -0.19 1.49 -0.16 1.36 2.15 0.56 -0.35 116.67 121.53 1r5i s ASP 25 Ca 0.00 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 52.72 1r5i s ASP 25 Cb -0.02 -0.15 0.03 0.00 -0.30 0.00 0.00 42.92 42.48 1r5i s ASP 25 CO -0.00 0.13 -0.13 0.12 -0.17 0.00 0.00 175.17 175.12 1r5i s PHE 26 N -0.40 2.22 -1.43 -5.34 5.36 0.17 -0.64 117.98 117.93 1r5i s PHE 26 Ca 0.04 -1.31 -0.15 0.00 -0.96 0.00 0.00 56.93 54.55 1r5i s PHE 26 Cb -0.05 -1.60 0.13 0.00 -0.34 0.00 0.00 43.02 41.16 1r5i s PHE 26 CO -0.00 -0.69 0.57 -0.25 -1.46 0.00 0.00 175.22 173.39 1r5i n ASP 27 N 4.75 -2.89 0.00 6.13 8.00 -0.14 -0.54 116.55 131.86 1r5i n ASP 27 Ca -0.16 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1r5i n ASP 27 Cb 0.49 -2.42 0.00 0.00 -0.02 0.00 0.00 41.12 39.17 1r5i n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r5i n GLY 28 N -1.15 2.82 3.80 0.44 0.00 -1.26 -5.05 105.19 104.79 1r5i n GLY 28 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1r5i n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r5i s ASP 29 N -1.24 5.79 -0.06 1.61 1.01 0.30 -5.04 116.67 119.03 1r5i s ASP 29 Ca 0.00 0.19 -0.30 0.00 0.71 0.00 0.00 52.55 53.15 1r5i s ASP 29 Cb 0.00 -1.70 -0.03 0.00 1.01 0.00 0.00 42.92 42.20 1r5i s ASP 29 CO 0.00 0.29 1.26 -0.70 0.21 0.00 0.00 175.17 176.23 1r5i s GLU 30 N -1.67 4.31 -0.13 8.23 2.12 -1.26 0.43 118.70 130.73 1r5i s GLU 30 Ca 0.22 1.75 -0.26 0.00 0.36 0.00 0.00 54.97 57.04 1r5i s GLU 30 Cb -0.12 -3.60 -0.26 0.00 0.26 0.00 0.00 34.13 30.40 1r5i s GLU 30 CO 0.13 -0.53 0.72 0.82 -0.54 0.00 0.00 175.26 175.87 1r5i h ILE 31 N 5.08 1.59 -1.92 -3.70 2.04 -1.03 -3.40 117.51 116.17 1r5i h ILE 31 Ca -0.34 -2.37 0.22 0.00 1.00 0.00 0.00 64.86 63.37 1r5i h ILE 31 Cb 1.16 3.18 -0.13 0.00 -0.74 0.00 0.00 36.82 40.29 1r5i h ILE 31 CO 0.90 0.60 0.64 0.72 0.00 0.00 0.00 178.15 181.02 1r5i s PHE 32 N -2.30 -0.15 0.17 1.37 -0.12 -1.17 -1.97 117.98 113.80 1r5i s PHE 32 Ca -0.19 -0.01 -0.06 0.00 -0.05 0.00 0.00 56.93 56.62 1r5i s PHE 32 Cb -0.01 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 1r5i s PHE 32 CO 0.71 -0.50 0.21 -3.38 -0.05 0.00 0.00 175.22 172.21 1r5i s HIS 33 N -2.85 0.65 -0.21 3.49 -3.43 -0.98 -0.91 115.29 111.04 1r5i s HIS 33 Ca 0.11 -1.00 -0.03 0.00 -0.80 0.00 0.00 55.06 53.34 1r5i s HIS 33 Cb 0.01 -0.24 -0.01 0.00 -1.43 0.00 0.00 32.58 30.91 1r5i s HIS 33 CO -0.03 -0.67 -0.06 0.08 -2.00 0.00 0.00 174.74 172.06 1r5i s VAL 34 N -4.03 3.25 0.92 -5.38 1.01 -0.78 -0.87 120.40 114.53 1r5i s VAL 34 Ca 0.23 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 1r5i s VAL 34 Cb 0.05 -2.47 0.23 0.00 0.00 0.00 0.00 36.38 34.19 1r5i s VAL 34 CO 0.03 0.44 0.77 -0.67 0.00 0.00 0.00 175.10 175.67 1r5i n ASP 35 N 4.75 -2.05 0.00 3.32 4.64 -0.63 -4.49 116.55 122.09 1r5i n ASP 35 Ca -0.18 -0.94 0.00 0.00 -1.38 0.00 0.00 54.79 52.29 1r5i n ASP 35 Cb 0.51 -0.73 0.00 0.00 -1.04 0.00 0.00 41.12 39.86 1r5i n ASP 35 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1r5i n ALA 37 N -4.46 0.00 0.47 -1.67 0.00 -1.26 0.27 120.51 113.87 1r5i n ALA 37 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.41 1r5i n ALA 37 Cb 0.43 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.04 1r5i n ALA 37 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1r5i h LYS 38 N 0.00 0.00 -5.85 0.00 1.57 -2.06 -3.48 116.57 106.75 1r5i h LYS 38 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1r5i h LYS 38 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1r5i h LYS 38 CO 0.00 0.00 -0.39 1.17 -0.57 0.00 0.00 179.45 179.66 1r5i n LYS 39 N -2.29 -1.40 -3.66 3.15 0.00 0.14 -5.03 118.16 109.07 1r5i n LYS 39 Ca 0.03 1.22 -0.14 0.00 0.00 0.00 0.00 58.31 59.43 1r5i n LYS 39 Cb 0.46 -4.58 -0.08 0.00 0.00 0.00 0.00 35.03 30.84 1r5i n LYS 39 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1r5i s GLU 40 N -3.72 0.72 0.18 1.64 -1.05 -1.09 -4.86 118.70 110.52 1r5i s GLU 40 Ca 0.01 0.80 -0.31 0.00 -0.15 0.00 0.00 54.97 55.32 1r5i s GLU 40 Cb -0.00 0.35 -0.09 0.00 -0.44 0.00 0.00 34.13 33.94 1r5i s GLU 40 CO 0.80 -0.10 1.41 0.99 0.95 0.00 0.00 175.26 179.32 1r5i s THR 41 N 0.23 2.98 -0.14 1.83 2.01 -1.26 -1.61 115.64 119.67 1r5i s THR 41 Ca -0.01 0.76 -0.01 0.00 0.31 0.00 0.00 61.69 62.74 1r5i s THR 41 Cb -0.04 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 69.02 1r5i s THR 41 CO 0.01 0.09 -0.05 0.54 -0.69 0.00 0.00 174.62 174.53 1r5i s VAL 42 N 0.52 0.96 0.26 3.82 0.11 -0.05 -4.94 120.40 121.08 1r5i s VAL 42 Ca 0.62 -0.43 -0.29 0.00 -2.93 0.00 0.00 61.98 58.95 1r5i s VAL 42 Cb -0.39 -1.11 -0.09 0.00 -1.53 0.00 0.00 36.38 33.26 1r5i s VAL 42 CO 0.36 0.20 0.93 0.26 -3.33 0.00 0.00 175.10 173.53 1r5i s TRP 43 N 1.71 3.92 0.50 1.54 0.52 -1.26 -2.32 118.94 123.55 1r5i s TRP 43 Ca 0.03 1.88 0.15 0.00 0.02 0.00 0.00 56.10 58.17 1r5i s TRP 43 Cb -0.14 -2.96 1.19 0.00 -1.15 0.00 0.00 33.47 30.41 1r5i s TRP 43 CO -0.08 0.41 2.12 -0.09 0.02 0.00 0.00 176.95 179.33 1r5i h ARG 44 N 3.94 0.06 -3.71 4.98 9.65 -1.61 -3.39 114.38 124.30 1r5i h ARG 44 Ca -0.45 -0.00 -0.38 0.00 -1.10 0.00 0.00 59.98 58.05 1r5i h ARG 44 Cb 1.20 -0.01 -0.35 0.00 -1.39 0.00 0.00 29.97 29.41 1r5i h ARG 44 CO 0.67 0.06 -0.75 -0.51 2.80 0.00 0.00 179.97 182.24 1r5i s LEU 45 N -9.05 0.94 0.49 3.80 1.43 -1.26 -5.05 118.68 109.98 1r5i s LEU 45 Ca -0.05 -0.04 0.26 0.00 -1.03 0.00 0.00 54.13 53.27 1r5i s LEU 45 Cb 0.17 -0.29 1.34 0.00 0.03 0.00 0.00 46.19 47.44 1r5i s LEU 45 CO 0.68 -0.13 1.88 -0.33 0.23 0.00 0.00 176.35 178.68 1r5i h GLU 46 N 7.62 0.14 -0.89 1.70 5.08 -1.99 -1.15 114.58 125.08 1r5i h GLU 46 Ca -0.33 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1r5i h GLU 46 Cb 1.13 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1r5i h GLU 46 CO 0.39 0.09 0.59 0.93 -1.00 0.00 0.00 179.01 180.00 1r5i h GLU 47 N 0.14 1.06 -0.93 2.33 3.07 -1.96 -1.98 114.58 116.32 1r5i h GLU 47 Ca 0.44 -0.06 0.15 0.00 -0.50 0.00 0.00 59.36 59.39 1r5i h GLU 47 Cb 1.50 -0.24 -0.08 0.00 -0.84 0.00 0.00 28.75 29.09 1r5i h GLU 47 CO -0.07 0.70 0.59 0.74 -1.40 0.00 0.00 179.01 179.57 1r5i h PHE 48 N 1.09 0.87 0.00 4.33 0.04 -1.61 0.43 116.94 122.09 1r5i h PHE 48 Ca 0.36 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.15 1r5i h PHE 48 Cb 0.06 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 37.94 1r5i h PHE 48 CO -0.00 0.30 -0.04 0.78 -0.60 0.00 0.00 178.31 178.74 1r5i h GLY 49 N 0.72 0.00 -1.84 -1.45 0.00 -1.49 -2.33 103.07 96.68 1r5i h GLY 49 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1r5i h GLY 49 CO -0.24 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.84 1r5i n ARG 50 N -3.21 2.42 0.00 4.80 1.74 0.14 -3.90 116.66 118.65 1r5i n ARG 50 Ca -0.01 -1.30 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 1r5i n ARG 50 Cb 0.25 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1r5i n ARG 50 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1r5i n PHE 51 N 0.32 0.00 -3.93 -1.55 3.72 -0.92 -5.11 117.46 109.98 1r5i n PHE 51 Ca 0.12 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.42 1r5i n PHE 51 Cb 0.55 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.04 1r5i n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r5i s ALA 52 N 0.00 -0.39 0.23 4.37 0.00 -0.94 -5.13 121.76 119.90 1r5i s ALA 52 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 51.16 1r5i s ALA 52 Cb 0.00 0.98 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 1r5i s ALA 52 CO 0.00 -0.82 0.33 -1.54 0.00 0.00 0.00 175.76 173.74 1r5i s SER 53 N -2.98 0.02 -0.27 0.00 1.04 -1.26 -4.56 113.70 105.69 1r5i s SER 53 Ca 0.18 -1.13 -0.18 0.00 0.48 0.00 0.00 55.95 55.31 1r5i s SER 53 Cb -0.00 0.50 0.08 0.00 0.10 0.00 0.00 66.02 66.70 1r5i s SER 53 CO 0.05 -1.02 0.69 0.12 0.98 0.00 0.00 173.24 174.06 1r5i s PHE 54 N -4.07 -0.99 -0.87 5.02 5.36 -1.26 -5.11 117.98 116.06 1r5i s PHE 54 Ca 0.29 2.07 -0.25 0.00 -0.96 0.00 0.00 56.93 58.08 1r5i s PHE 54 Cb 0.03 0.55 0.03 0.00 -0.34 0.00 0.00 43.02 43.28 1r5i s PHE 54 CO 0.10 -0.49 1.48 -2.00 -1.46 0.00 0.00 175.22 172.85 1r5i s GLU 55 N 1.34 3.26 0.48 10.12 2.56 -1.26 -4.73 118.70 130.47 1r5i s GLU 55 Ca -0.08 -0.57 0.33 0.00 0.00 0.00 0.00 54.97 54.65 1r5i s GLU 55 Cb -0.05 -4.82 1.45 0.00 2.00 0.00 0.00 34.13 32.70 1r5i s GLU 55 CO -0.15 -2.36 1.70 0.00 -0.56 0.00 0.00 175.26 173.89 1r5i h ALA 56 N 10.47 2.94 -1.00 6.30 0.00 -1.95 0.75 119.26 136.78 1r5i h ALA 56 Ca -0.02 0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.15 1r5i h ALA 56 Cb 1.04 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1r5i h ALA 56 CO 1.34 -1.42 0.65 0.37 0.00 0.00 0.00 179.25 180.18 1r5i h GLN 57 N 0.11 0.42 -0.68 0.00 5.75 -1.89 0.88 115.11 119.71 1r5i h GLN 57 Ca 0.72 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 59.23 1r5i h GLN 57 Cb 2.46 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 30.87 1r5i h GLN 57 CO -0.20 0.28 0.42 0.78 -2.65 0.00 0.00 178.83 177.46 1r5i h GLY 58 N 0.43 0.99 0.91 2.39 0.00 0.13 -2.31 103.07 105.61 1r5i h GLY 58 Ca 0.56 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.59 1r5i h GLY 58 CO -0.26 0.25 0.24 0.00 0.00 0.00 0.00 176.54 176.76 1r5i h ALA 59 N 1.30 0.50 -0.75 3.60 0.00 -0.95 -1.92 119.26 121.05 1r5i h ALA 59 Ca 0.28 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.28 1r5i h ALA 59 Cb 0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1r5i h ALA 59 CO -0.12 -0.10 0.38 1.25 0.00 0.00 0.00 179.25 180.67 1r5i h LEU 60 N 0.48 0.51 -0.07 0.00 5.85 -1.24 0.76 115.31 121.60 1r5i h LEU 60 Ca 0.16 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1r5i h LEU 60 Cb 0.00 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1r5i h LEU 60 CO -0.07 0.28 0.04 0.00 -0.34 0.00 0.00 178.44 178.35 1r5i h ALA 61 N 1.45 0.09 -0.36 1.25 0.00 -0.86 -0.82 119.26 120.02 1r5i h ALA 61 Ca 0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1r5i h ALA 61 Cb 0.40 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1r5i h ALA 61 CO -0.28 -0.40 0.17 -0.91 0.00 0.00 0.00 179.25 177.84 1r5i h ASN 62 N 0.05 0.47 -0.62 0.00 4.21 -0.64 -2.65 115.58 116.40 1r5i h ASN 62 Ca 0.02 -0.13 -0.09 0.00 1.21 0.00 0.00 56.30 57.31 1r5i h ASN 62 Cb 0.04 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.09 1r5i h ASN 62 CO -0.00 0.47 0.03 0.40 -1.29 0.00 0.00 177.43 177.03 1r5i h ILE 63 N 0.44 1.27 -0.58 2.81 5.03 -0.82 0.42 117.51 126.07 1r5i h ILE 63 Ca 0.12 -1.12 0.12 0.00 -0.12 0.00 0.00 64.86 63.85 1r5i h ILE 63 Cb 0.12 0.75 -0.09 0.00 -3.03 0.00 0.00 36.82 34.57 1r5i h ILE 63 CO -0.02 0.41 0.05 0.00 -0.68 0.00 0.00 178.15 177.92 1r5i h ALA 64 N 1.02 0.62 -0.15 1.87 0.00 -0.93 0.33 119.26 122.02 1r5i h ALA 64 Ca 0.18 0.16 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 1r5i h ALA 64 Cb 0.53 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1r5i h ALA 64 CO 0.03 -0.36 -0.64 0.28 0.00 0.00 0.00 179.25 178.55 1r5i h VAL 65 N 0.17 1.33 -0.30 0.00 2.07 -1.27 -2.82 116.25 115.44 1r5i h VAL 65 Ca 0.30 -1.94 0.03 0.00 0.82 0.00 0.00 66.70 65.91 1r5i h VAL 65 Cb 0.47 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1r5i h VAL 65 CO -0.45 0.60 0.13 0.44 0.02 0.00 0.00 177.57 178.30 1r5i h ASP 66 N 0.39 0.17 -0.88 0.57 3.32 0.71 -0.61 116.42 120.09 1r5i h ASP 66 Ca -0.01 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.15 1r5i h ASP 66 Cb 1.21 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.68 1r5i h ASP 66 CO 0.12 0.13 0.53 0.50 -1.72 0.00 0.00 179.24 178.80 1r5i h LYS 67 N 0.27 0.88 -0.50 3.56 3.64 -0.33 -0.39 116.57 123.70 1r5i h LYS 67 Ca 0.13 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1r5i h LYS 67 Cb 0.07 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1r5i h LYS 67 CO -0.11 0.58 0.14 0.00 -2.27 0.00 0.00 179.45 177.79 1r5i h ALA 68 N 1.46 0.66 -0.47 5.00 0.00 -1.15 -2.82 119.26 121.93 1r5i h ALA 68 Ca 0.41 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1r5i h ALA 68 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1r5i h ALA 68 CO -0.22 0.34 0.05 -0.91 0.00 0.00 0.00 179.25 178.51 1r5i h ASN 69 N 0.69 0.71 -0.88 0.00 2.35 -0.10 -1.94 115.58 116.41 1r5i h ASN 69 Ca 0.16 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1r5i h ASN 69 Cb 0.31 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 1r5i h ASN 69 CO -0.00 0.75 0.54 0.25 -1.65 0.00 0.00 177.43 177.32 1r5i h LEU 70 N 0.71 1.05 -0.24 1.61 7.12 -0.91 -1.86 115.31 122.79 1r5i h LEU 70 Ca 0.15 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1r5i h LEU 70 Cb 0.37 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 1r5i h LEU 70 CO 0.01 0.79 0.16 -0.08 -0.13 0.00 0.00 178.44 179.19 1r5i h GLU 71 N 1.21 0.32 0.00 1.25 4.81 -1.19 -0.24 114.58 120.74 1r5i h GLU 71 Ca 0.32 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1r5i h GLU 71 Cb -0.07 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1r5i h GLU 71 CO -0.06 0.23 0.00 -0.89 -0.73 0.00 0.00 179.01 177.55 1r5i n ILE 72 N -4.91 0.00 0.00 2.32 5.41 -0.70 -2.57 119.36 118.91 1r5i n ILE 72 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1r5i n ILE 72 Cb 0.03 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 1r5i n ILE 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1r5i n THR 74 N -0.35 0.00 -0.02 1.39 -1.04 -0.10 -0.87 114.28 113.29 1r5i n THR 74 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1r5i n THR 74 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 1r5i n THR 74 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1r5i h LYS 75 N 0.00 0.17 -0.73 -2.82 3.64 -1.73 0.45 116.57 115.55 1r5i h LYS 75 Ca 0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1r5i h LYS 75 Cb 0.00 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1r5i h LYS 75 CO 0.00 0.17 0.48 -0.09 -2.27 0.00 0.00 179.45 177.75 1r5i h ARG 76 N 0.11 0.94 0.00 1.90 2.43 -1.28 0.74 114.38 119.24 1r5i h ARG 76 Ca 0.04 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1r5i h ARG 76 Cb 0.05 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1r5i h ARG 76 CO -0.01 0.62 0.00 -1.13 -1.51 0.00 0.00 179.97 177.95 1r5i n SER 77 N -4.43 0.00 -2.82 -3.80 3.41 -1.08 -4.84 113.62 100.05 1r5i n SER 77 Ca 0.08 -1.23 -0.17 0.00 -0.26 0.00 0.00 58.87 57.29 1r5i n SER 77 Cb 0.05 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.06 1r5i n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1r5i n ASN 78 N -0.83 -4.54 -3.59 4.04 4.05 0.25 -3.45 115.26 111.19 1r5i n ASN 78 Ca 0.15 -0.42 -0.23 0.00 0.45 0.00 0.00 54.58 54.53 1r5i n ASN 78 Cb 0.07 -3.92 0.07 0.00 1.23 0.00 0.00 39.78 37.23 1r5i n ASN 78 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1r5i n TYR 79 N -4.14 -2.57 -2.70 1.20 4.01 0.16 -4.97 117.16 108.14 1r5i n TYR 79 Ca -0.05 0.97 -0.43 0.00 -0.16 0.00 0.00 57.90 58.24 1r5i n TYR 79 Cb 0.56 -4.90 -0.03 0.00 -0.31 0.00 0.00 39.34 34.67 1r5i n TYR 79 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1r5i s THR 80 N -3.35 4.75 0.44 -0.72 2.01 -1.22 -5.03 115.64 112.52 1r5i s THR 80 Ca 0.39 1.98 -0.14 0.00 0.31 0.00 0.00 61.69 64.23 1r5i s THR 80 Cb -0.18 -4.29 -0.08 0.00 0.01 0.00 0.00 72.50 67.97 1r5i s THR 80 CO 0.75 -0.07 0.87 -2.16 -0.69 0.00 0.00 174.62 173.31 1r5i s PRO 81 N 2.53 3.90 0.58 4.92 0.04 -1.26 -5.01 135.00 140.71 1r5i s PRO 81 Ca 0.45 0.73 -0.18 0.00 0.04 0.00 0.00 61.00 62.04 1r5i s PRO 81 Cb -0.17 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 1r5i s PRO 81 CO 0.12 -0.11 1.15 -1.50 0.04 0.00 0.00 177.00 176.70 1r5i s ILE 82 N -2.42 2.99 -0.31 0.56 2.07 -1.26 -5.00 121.20 117.82 1r5i s ILE 82 Ca 0.55 0.58 -0.15 0.00 -1.41 0.00 0.00 60.65 60.23 1r5i s ILE 82 Cb -0.10 -3.20 -0.02 0.00 0.13 0.00 0.00 42.46 39.27 1r5i s ILE 82 CO 0.29 -0.16 0.36 -0.89 -1.91 0.00 0.00 174.94 172.62 1r5i s THR 83 N -1.81 5.17 0.24 4.00 2.01 -1.26 -5.03 115.64 118.96 1r5i s THR 83 Ca 0.73 0.24 -0.31 0.00 0.31 0.00 0.00 61.69 62.66 1r5i s THR 83 Cb -0.25 -3.77 -0.14 0.00 0.01 0.00 0.00 72.50 68.35 1r5i s THR 83 CO 0.32 0.01 1.31 0.59 -0.69 0.00 0.00 174.62 176.15 1r5i n ASN 84 N 5.36 2.33 -3.77 3.53 3.02 -1.26 -4.79 115.26 119.68 1r5i n ASN 84 Ca -0.09 1.15 -0.29 0.00 -0.03 0.00 0.00 54.58 55.32 1r5i n ASN 84 Cb 0.50 -1.38 -0.15 0.00 -0.61 0.00 0.00 39.78 38.14 1r5i n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r5i s VAL 85 N -0.27 0.93 0.51 2.41 1.01 -0.12 -4.85 120.40 120.02 1r5i s VAL 85 Ca 0.67 -1.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 1r5i s VAL 85 Cb -0.69 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.03 1r5i s VAL 85 CO 0.52 -0.51 1.15 -0.81 0.00 0.00 0.00 175.10 175.45 1r5i n PRO 86 N 4.85 1.44 -1.92 2.72 -0.04 -1.26 -2.04 135.00 138.75 1r5i n PRO 86 Ca -0.04 0.53 -0.30 0.00 -0.04 0.00 0.00 63.50 63.64 1r5i n PRO 86 Cb 0.43 -2.30 0.02 0.00 -0.04 0.00 0.00 33.50 31.62 1r5i n PRO 86 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1r5i s PRO 87 N -2.50 3.34 -0.27 0.54 0.04 -1.26 -4.54 135.00 130.34 1r5i s PRO 87 Ca 0.69 0.61 -0.06 0.00 0.04 0.00 0.00 61.00 62.28 1r5i s PRO 87 Cb -0.47 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1r5i s PRO 87 CO 0.52 -0.71 0.05 -1.21 0.04 0.00 0.00 177.00 175.69 1r5i s GLU 88 N -5.22 3.20 -0.11 4.56 2.02 -0.21 -4.90 118.70 118.03 1r5i s GLU 88 Ca 0.56 -0.77 -0.04 0.00 0.02 0.00 0.00 54.97 54.73 1r5i s GLU 88 Cb -0.11 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 1r5i s GLU 88 CO 0.53 -0.36 0.05 0.08 0.02 0.00 0.00 175.26 175.58 1r5i s VAL 89 N 1.50 4.74 -0.02 2.63 1.01 -1.26 -1.21 120.40 127.80 1r5i s VAL 89 Ca 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1r5i s VAL 89 Cb -0.16 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1r5i s VAL 89 CO 0.01 0.58 0.05 0.28 0.00 0.00 0.00 175.10 176.03 1r5i s THR 90 N -0.67 0.01 -0.12 3.92 -1.32 -0.16 -4.96 115.64 112.34 1r5i s THR 90 Ca 0.11 -0.12 -0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1r5i s THR 90 Cb -0.12 -0.12 0.03 0.00 -1.51 0.00 0.00 72.50 70.78 1r5i s THR 90 CO 0.02 -0.06 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.60 1r5i s VAL 91 N -0.18 1.06 0.29 5.08 1.01 -1.26 0.46 120.40 126.86 1r5i s VAL 91 Ca -0.02 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1r5i s VAL 91 Cb -0.02 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1r5i s VAL 91 CO 0.00 0.35 0.25 -1.48 0.00 0.00 0.00 175.10 174.22 1r5i s LEU 92 N 1.69 1.51 0.43 3.92 0.05 -0.67 -4.96 118.68 120.65 1r5i s LEU 92 Ca 0.05 -1.62 0.02 0.00 0.05 0.00 0.00 54.13 52.63 1r5i s LEU 92 Cb -0.13 0.57 0.00 0.00 -2.05 0.00 0.00 46.19 44.58 1r5i s LEU 92 CO -0.08 -1.01 0.63 0.42 -0.55 0.00 0.00 176.35 175.76 1r5i s THR 93 N -3.65 3.81 0.23 5.48 -4.23 -1.26 0.02 115.64 116.05 1r5i s THR 93 Ca 0.39 -0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 1r5i s THR 93 Cb 0.04 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.50 1r5i s THR 93 CO 0.22 -0.23 1.60 -1.13 -0.54 0.00 0.00 174.62 174.54 1r5i h ASN 94 N 0.49 0.57 -5.07 3.99 -1.24 -1.40 -3.46 115.58 109.46 1r5i h ASN 94 Ca -0.45 -0.25 0.05 0.00 0.71 0.00 0.00 56.30 56.36 1r5i h ASN 94 Cb 1.26 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 40.12 1r5i h ASN 94 CO 0.55 0.91 0.31 -0.94 -1.29 0.00 0.00 177.43 176.97 1r5i s SER 95 N -6.85 -0.10 0.50 1.15 1.04 -1.26 -5.03 113.70 103.14 1r5i s SER 95 Ca -0.07 -0.85 -0.23 0.00 0.48 0.00 0.00 55.95 55.28 1r5i s SER 95 Cb 0.12 0.74 -0.07 0.00 0.10 0.00 0.00 66.02 66.92 1r5i s SER 95 CO 0.82 -1.43 1.27 -0.81 0.98 0.00 0.00 173.24 174.06 1r5i n PRO 96 N -0.52 1.69 -3.63 4.02 -0.04 -1.26 -4.95 135.00 130.32 1r5i n PRO 96 Ca -0.06 0.61 -0.35 0.00 -0.04 0.00 0.00 63.50 63.66 1r5i n PRO 96 Cb 0.60 -2.44 -0.05 0.00 -0.04 0.00 0.00 33.50 31.57 1r5i n PRO 96 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1r5i s VAL 97 N -1.28 5.16 -0.01 0.52 -7.23 -1.26 -5.06 120.40 111.24 1r5i s VAL 97 Ca 0.67 0.38 0.00 0.00 -1.81 0.00 0.00 61.98 61.23 1r5i s VAL 97 Cb -0.46 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 32.87 1r5i s VAL 97 CO 0.53 0.33 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.94 1r5i s GLU 98 N -1.82 0.12 0.14 4.82 2.56 -1.26 -5.10 118.70 118.16 1r5i s GLU 98 Ca 0.31 -0.01 -0.35 0.00 0.00 0.00 0.00 54.97 54.92 1r5i s GLU 98 Cb -0.14 -0.17 -0.15 0.00 2.00 0.00 0.00 34.13 35.67 1r5i s GLU 98 CO 0.17 -0.01 1.36 -0.11 -0.56 0.00 0.00 175.26 176.12 1r5i n LEU 99 N 3.27 2.13 0.00 2.70 0.00 -1.26 -1.38 117.00 122.47 1r5i n LEU 99 Ca -0.15 1.12 0.00 0.00 0.00 0.00 0.00 56.01 56.97 1r5i n LEU 99 Cb 0.58 -1.28 0.00 0.00 0.00 0.00 0.00 43.42 42.72 1r5i n LEU 99 CO 0.25 -0.86 0.00 0.54 0.00 0.00 0.00 177.39 177.32 1r5i n ARG 100 N 2.50 -0.37 -3.20 1.96 5.12 -0.95 -4.94 116.66 116.78 1r5i n ARG 100 Ca 0.16 0.09 -0.42 0.00 -1.93 0.00 0.00 57.85 55.75 1r5i n ARG 100 Cb 0.24 -4.14 -0.08 0.00 -1.16 0.00 0.00 32.46 27.32 1r5i n ARG 100 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1r5i s GLU 101 N -0.95 3.36 0.12 5.56 2.12 -0.48 -4.84 118.70 123.60 1r5i s GLU 101 Ca 0.00 -0.38 -0.24 0.00 0.36 0.00 0.00 54.97 54.71 1r5i s GLU 101 Cb 0.00 -3.90 -0.14 0.00 0.26 0.00 0.00 34.13 30.35 1r5i s GLU 101 CO 0.00 -0.84 0.52 -2.30 -0.54 0.00 0.00 175.26 172.09 1r5i n PRO 102 N 5.92 0.00 -2.39 4.30 -0.02 -1.26 -4.43 135.00 137.12 1r5i n PRO 102 Ca -0.04 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.39 1r5i n PRO 102 Cb 0.48 -0.88 -0.01 0.00 -0.02 0.00 0.00 33.50 33.07 1r5i n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1r5i n ASN 103 N 1.47 -0.55 -3.75 2.55 2.85 -0.25 -5.00 115.26 112.58 1r5i n ASN 103 Ca 0.14 -1.68 -0.13 0.00 -0.11 0.00 0.00 54.58 52.81 1r5i n ASN 103 Cb 0.16 1.00 -0.13 0.00 1.24 0.00 0.00 39.78 42.06 1r5i n ASN 103 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1r5i s VAL 104 N -2.59 -0.03 -0.03 3.44 1.01 -1.26 -1.21 120.40 119.72 1r5i s VAL 104 Ca 0.10 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.02 1r5i s VAL 104 Cb -0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 1r5i s VAL 104 CO 0.07 0.05 0.50 -0.76 0.00 0.00 0.00 175.10 174.96 1r5i s LEU 105 N 1.00 4.40 -0.18 3.92 1.43 0.54 -0.92 118.68 128.86 1r5i s LEU 105 Ca -0.07 1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 54.03 1r5i s LEU 105 Cb -0.09 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.38 1r5i s LEU 105 CO -0.06 0.15 -0.14 -0.63 0.23 0.00 0.00 176.35 175.90 1r5i s ILE 106 N -0.25 2.66 -0.36 -0.59 1.01 0.10 -1.31 121.20 122.46 1r5i s ILE 106 Ca 0.27 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 1r5i s ILE 106 Cb -0.17 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.17 1r5i s ILE 106 CO 0.14 0.50 0.19 0.00 0.00 0.00 0.00 174.94 175.77 1r5i s PHE 108 N 1.57 3.27 -0.26 0.00 0.40 0.17 -1.81 117.98 121.33 1r5i s PHE 108 Ca 0.03 0.44 -0.04 0.00 -0.60 0.00 0.00 56.93 56.76 1r5i s PHE 108 Cb -0.19 -2.55 0.02 0.00 0.51 0.00 0.00 43.02 40.81 1r5i s PHE 108 CO 0.07 -0.18 -0.01 0.42 0.70 0.00 0.00 175.22 176.21 1r5i s ILE 109 N 1.91 3.29 0.28 0.64 1.01 -0.62 -0.99 121.20 126.73 1r5i s ILE 109 Ca 0.15 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1r5i s ILE 109 Cb -0.16 -2.66 -0.06 0.00 0.01 0.00 0.00 42.46 39.60 1r5i s ILE 109 CO 0.09 0.19 0.05 -0.62 0.00 0.00 0.00 174.94 174.65 1r5i s ASP 110 N 1.40 1.94 -1.31 3.58 2.15 -0.35 -1.33 116.67 122.75 1r5i s ASP 110 Ca 0.02 -1.34 -0.09 0.00 0.43 0.00 0.00 52.55 51.57 1r5i s ASP 110 Cb -0.17 0.00 0.00 0.00 -0.30 0.00 0.00 42.92 42.46 1r5i s ASP 110 CO -0.02 -0.61 0.55 0.29 -0.17 0.00 0.00 175.17 175.21 1r5i n LYS 111 N -0.56 -2.45 -4.29 4.34 5.02 -0.93 -1.05 118.16 118.25 1r5i n LYS 111 Ca -0.02 0.40 -0.16 0.00 -2.02 0.00 0.00 58.31 56.51 1r5i n LYS 111 Cb 0.66 -4.27 -0.10 0.00 -0.02 0.00 0.00 35.03 31.30 1r5i n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1r5i s PHE 112 N -3.78 1.45 -0.29 2.13 -0.12 -1.17 -4.49 117.98 111.71 1r5i s PHE 112 Ca 0.18 -1.30 -0.29 0.00 -0.05 0.00 0.00 56.93 55.47 1r5i s PHE 112 Cb -0.07 -0.78 0.19 0.00 -0.63 0.00 0.00 43.02 41.73 1r5i s PHE 112 CO 0.89 -0.49 1.36 -0.08 -0.05 0.00 0.00 175.22 176.85 1r5i s THR 113 N -3.83 0.00 1.03 -4.49 -1.32 -0.86 0.48 115.64 106.64 1r5i s THR 113 Ca 0.38 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.73 1r5i s THR 113 Cb 0.07 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.26 1r5i s THR 113 CO 0.14 0.00 1.08 -2.16 -2.21 0.00 0.00 174.62 171.48 1r5i s PRO 114 N -0.95 0.20 -0.56 7.08 0.04 -1.26 -0.95 135.00 138.59 1r5i s PRO 114 Ca 0.09 0.60 -0.05 0.00 0.04 0.00 0.00 61.00 61.67 1r5i s PRO 114 Cb -0.01 -1.70 -0.11 0.00 0.04 0.00 0.00 34.50 32.71 1r5i s PRO 114 CO -0.08 -2.91 2.40 -0.35 0.04 0.00 0.00 177.00 176.09 1r5i n PRO 115 N -4.31 1.89 -3.82 0.56 -0.04 -1.26 -4.75 135.00 123.27 1r5i n PRO 115 Ca 0.05 -1.16 -0.22 0.00 -0.04 0.00 0.00 63.50 62.14 1r5i n PRO 115 Cb 0.56 -2.19 -0.17 0.00 -0.04 0.00 0.00 33.50 31.66 1r5i n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1r5i s VAL 116 N 2.48 0.32 0.01 0.52 1.01 -1.26 -5.04 120.40 118.44 1r5i s VAL 116 Ca 0.45 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 1r5i s VAL 116 Cb 0.16 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 36.10 1r5i s VAL 116 CO -0.02 0.24 0.39 0.54 0.00 0.00 0.00 175.10 176.24 1r5i s VAL 117 N 1.77 0.05 -0.19 2.92 0.11 -1.26 -4.72 120.40 119.09 1r5i s VAL 117 Ca 0.02 -0.44 0.01 0.00 -2.93 0.00 0.00 61.98 58.64 1r5i s VAL 117 Cb -0.13 -0.83 0.03 0.00 -1.53 0.00 0.00 36.38 33.92 1r5i s VAL 117 CO -0.04 -0.24 -0.18 0.21 -3.33 0.00 0.00 175.10 171.51 1r5i s ASN 118 N -1.66 3.26 0.04 3.54 2.47 -0.93 -4.99 114.94 116.68 1r5i s ASN 118 Ca -0.09 -0.73 0.06 0.00 0.42 0.00 0.00 52.86 52.51 1r5i s ASN 118 Cb -0.02 -1.46 -0.03 0.00 -1.45 0.00 0.00 41.25 38.28 1r5i s ASN 118 CO 0.02 -0.03 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.55 1r5i s VAL 119 N 1.28 3.19 -0.07 -5.21 1.01 -1.26 -1.33 120.40 118.00 1r5i s VAL 119 Ca 0.03 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1r5i s VAL 119 Cb -0.14 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1r5i s VAL 119 CO -0.12 0.32 0.14 -0.89 0.00 0.00 0.00 175.10 174.55 1r5i s THR 120 N -1.00 -0.16 0.11 3.92 2.01 -0.42 -4.97 115.64 115.13 1r5i s THR 120 Ca 0.17 0.29 -0.24 0.00 0.31 0.00 0.00 61.69 62.22 1r5i s THR 120 Cb -0.11 -0.25 -0.07 0.00 0.01 0.00 0.00 72.50 72.08 1r5i s THR 120 CO 0.07 0.12 0.72 0.26 -0.69 0.00 0.00 174.62 175.10 1r5i s TRP 121 N 1.83 3.84 -0.05 4.92 0.52 -1.26 -0.76 118.94 127.98 1r5i s TRP 121 Ca -0.02 1.50 0.01 0.00 0.02 0.00 0.00 56.10 57.61 1r5i s TRP 121 Cb -0.12 -2.71 0.02 0.00 -1.15 0.00 0.00 33.47 29.52 1r5i s TRP 121 CO -0.05 0.48 -0.04 -0.51 0.02 0.00 0.00 176.95 176.85 1r5i s LEU 122 N -0.90 1.25 -0.26 2.99 1.43 -0.49 -1.05 118.68 121.66 1r5i s LEU 122 Ca 0.34 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1r5i s LEU 122 Cb -0.22 -0.45 0.04 0.00 0.03 0.00 0.00 46.19 45.60 1r5i s LEU 122 CO 0.23 -0.07 -0.08 -0.60 0.23 0.00 0.00 176.35 176.07 1r5i s ARG 123 N 1.03 2.52 -1.44 1.70 3.52 -0.03 -1.47 118.95 124.79 1r5i s ARG 123 Ca -0.09 -1.18 -0.03 0.00 -0.13 0.00 0.00 55.73 54.31 1r5i s ARG 123 Cb -0.14 -2.96 0.02 0.00 -1.56 0.00 0.00 34.95 30.31 1r5i s ARG 123 CO -0.01 -0.50 0.49 0.09 -0.81 0.00 0.00 175.30 174.57 1r5i n ASN 124 N 4.56 -0.86 0.00 -2.12 3.02 -0.63 -1.38 115.26 117.85 1r5i n ASN 124 Ca -0.15 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 1r5i n ASN 124 Cb 0.44 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 1r5i n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r5i n GLY 125 N -1.89 2.86 3.75 7.41 0.00 -1.26 -5.01 105.19 111.04 1r5i n GLY 125 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 1r5i n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r5i s LYS 126 N -0.14 4.13 0.14 1.61 1.02 -0.48 -5.04 119.74 120.98 1r5i s LYS 126 Ca 0.00 0.01 -0.31 0.00 0.02 0.00 0.00 55.97 55.69 1r5i s LYS 126 Cb 0.00 -3.39 -0.09 0.00 -0.52 0.00 0.00 37.83 33.84 1r5i s LYS 126 CO 0.00 0.34 1.45 -2.14 -0.92 0.00 0.00 175.35 174.08 1r5i s PRO 127 N 0.19 4.29 -0.06 -1.68 0.02 -1.26 -0.85 135.00 135.64 1r5i s PRO 127 Ca 0.15 2.18 -0.03 0.00 0.02 0.00 0.00 61.00 63.32 1r5i s PRO 127 Cb -0.13 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 1r5i s PRO 127 CO 0.03 -0.49 0.09 0.14 -0.33 0.00 0.00 177.00 176.44 1r5i s VAL 128 N 1.04 4.93 0.00 3.83 -7.23 -0.21 -4.90 120.40 117.85 1r5i s VAL 128 Ca 0.66 -0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.68 1r5i s VAL 128 Cb -0.39 -3.18 0.00 0.00 0.56 0.00 0.00 36.38 33.37 1r5i s VAL 128 CO 0.31 0.50 0.00 0.41 -0.31 0.00 0.00 175.10 176.01 1r5i n THR 129 N 1.66 0.00 -1.68 5.32 -1.04 -1.26 -4.42 114.28 112.86 1r5i n THR 129 Ca -0.16 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.39 1r5i n THR 129 Cb 0.54 -0.25 -0.04 0.00 -1.82 0.00 0.00 70.33 68.75 1r5i n THR 129 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1r5i n THR 130 N -1.96 0.15 0.00 12.58 -2.24 -1.26 -2.06 114.28 119.49 1r5i n THR 130 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1r5i n THR 130 Cb 0.20 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 1r5i n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r5i n GLY 131 N 3.71 2.88 3.77 3.38 0.00 -1.26 -4.87 105.19 112.80 1r5i n GLY 131 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1r5i n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r5i s VAL 132 N -2.05 3.10 0.23 1.61 -7.23 -0.88 -4.51 120.40 110.67 1r5i s VAL 132 Ca 0.00 0.87 -0.02 0.00 -1.81 0.00 0.00 61.98 61.02 1r5i s VAL 132 Cb 0.00 -3.47 -0.03 0.00 0.56 0.00 0.00 36.38 33.44 1r5i s VAL 132 CO 0.00 0.04 0.23 -0.94 -0.31 0.00 0.00 175.10 174.12 1r5i s SER 133 N -1.22 0.35 0.18 4.85 1.04 -0.93 -4.99 113.70 112.98 1r5i s SER 133 Ca 0.60 -1.36 -0.19 0.00 0.48 0.00 0.00 55.95 55.48 1r5i s SER 133 Cb -0.30 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.32 1r5i s SER 133 CO 0.37 -0.95 0.53 -1.83 0.98 0.00 0.00 173.24 172.34 1r5i s GLU 134 N -3.97 1.31 0.49 4.02 -1.05 -1.26 -0.29 118.70 117.96 1r5i s GLU 134 Ca 0.36 -0.73 0.05 0.00 -0.15 0.00 0.00 54.97 54.50 1r5i s GLU 134 Cb 0.05 0.53 0.03 0.00 -0.44 0.00 0.00 34.13 34.30 1r5i s GLU 134 CO 0.14 -0.56 0.68 0.95 0.95 0.00 0.00 175.26 177.42 1r5i s THR 135 N -3.83 2.78 0.00 1.83 -4.23 0.05 -5.00 115.64 107.24 1r5i s THR 135 Ca 0.06 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1r5i s THR 135 Cb -0.01 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1r5i s THR 135 CO -0.07 0.00 0.00 0.55 -0.54 0.00 0.00 174.62 174.56 1r5i n VAL 136 N -2.11 0.00 -2.84 2.29 3.14 -1.26 -4.65 118.33 112.91 1r5i n VAL 136 Ca 0.09 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.04 1r5i n VAL 136 Cb 0.59 -1.98 -0.04 0.00 -1.06 0.00 0.00 33.84 31.35 1r5i n VAL 136 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1r5i s PHE 137 N -0.88 3.03 0.20 1.45 0.08 -1.26 -4.67 117.98 115.94 1r5i s PHE 137 Ca 0.00 0.61 -0.17 0.00 0.12 0.00 0.00 56.93 57.49 1r5i s PHE 137 Cb 0.00 -3.72 -0.08 0.00 -0.57 0.00 0.00 43.02 38.66 1r5i s PHE 137 CO 0.00 -0.90 0.65 -0.51 -0.10 0.00 0.00 175.22 174.36 1r5i s LEU 138 N 3.51 4.32 0.74 -0.37 1.02 0.54 -4.89 118.68 123.55 1r5i s LEU 138 Ca 0.37 1.26 -0.11 0.00 0.02 0.00 0.00 54.13 55.66 1r5i s LEU 138 Cb -0.12 -3.49 0.04 0.00 0.02 0.00 0.00 46.19 42.64 1r5i s LEU 138 CO 0.21 0.04 1.08 -2.16 0.02 0.00 0.00 176.35 175.54 1r5i s PRO 139 N -2.05 2.56 0.02 1.29 0.04 -1.26 -0.34 135.00 135.25 1r5i s PRO 139 Ca 0.42 0.71 0.01 0.00 0.04 0.00 0.00 61.00 62.17 1r5i s PRO 139 Cb -0.15 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1r5i s PRO 139 CO 0.20 -1.30 -0.04 1.03 0.04 0.00 0.00 177.00 176.93 1r5i s ARG 140 N -5.16 0.30 0.57 4.56 0.52 -1.11 -4.66 118.95 113.96 1r5i s ARG 140 Ca 0.59 -0.46 0.26 0.00 -0.52 0.00 0.00 55.73 55.60 1r5i s ARG 140 Cb -0.13 -0.06 1.57 0.00 0.52 0.00 0.00 34.95 36.85 1r5i s ARG 140 CO 0.54 0.00 2.12 0.93 0.02 0.00 0.00 175.30 178.92 1r5i h GLU 141 N 5.09 0.00 -0.21 3.54 5.08 -1.99 0.42 114.58 126.50 1r5i h GLU 141 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1r5i h GLU 141 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1r5i h GLU 141 CO 0.44 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.05 1r5i n ASP 142 N -4.04 1.40 -0.76 1.42 5.75 -1.26 -4.91 116.55 114.15 1r5i n ASP 142 Ca 0.01 -1.85 -0.10 0.00 -0.01 0.00 0.00 54.79 52.84 1r5i n ASP 142 Cb 0.27 -0.14 -0.04 0.00 -1.03 0.00 0.00 41.12 40.18 1r5i n ASP 142 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1r5i n HIS 143 N 0.21 -0.00 -2.95 2.11 8.25 0.15 -5.03 115.22 117.95 1r5i n HIS 143 Ca 0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.57 1r5i n HIS 143 Cb 0.25 -1.91 0.00 0.00 1.12 0.00 0.00 29.99 29.45 1r5i n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1r5i n LEU 144 N -1.12 0.00 -4.40 2.41 4.77 -1.26 -4.88 117.00 112.52 1r5i n LEU 144 Ca -0.10 -0.16 -0.20 0.00 -0.03 0.00 0.00 56.01 55.52 1r5i n LEU 144 Cb 0.33 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 1r5i n LEU 144 CO 0.15 -0.52 -0.35 -0.36 -1.33 0.00 0.00 177.39 174.99 1r5i s PHE 145 N 0.71 1.84 0.12 -1.77 0.40 0.18 -2.77 117.98 116.68 1r5i s PHE 145 Ca 0.04 -0.78 0.08 0.00 -0.60 0.00 0.00 56.93 55.67 1r5i s PHE 145 Cb -0.00 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.43 1r5i s PHE 145 CO 0.03 0.17 -0.19 1.03 0.70 0.00 0.00 175.22 176.96 1r5i s ARG 146 N -3.77 1.11 -0.11 0.44 0.52 0.54 -2.19 118.95 115.48 1r5i s ARG 146 Ca 0.29 -1.21 -0.23 0.00 -0.52 0.00 0.00 55.73 54.06 1r5i s ARG 146 Cb 0.05 -1.24 0.05 0.00 0.52 0.00 0.00 34.95 34.32 1r5i s ARG 146 CO 0.11 0.27 0.55 0.21 0.02 0.00 0.00 175.30 176.47 1r5i s LYS 147 N -2.21 0.82 -0.01 3.54 2.20 -0.44 -0.34 119.74 123.29 1r5i s LYS 147 Ca 0.08 0.36 0.05 0.00 -0.36 0.00 0.00 55.97 56.10 1r5i s LYS 147 Cb -0.08 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 1r5i s LYS 147 CO 0.04 -0.20 -0.15 -0.06 -0.36 0.00 0.00 175.35 174.62 1r5i s PHE 148 N -0.65 1.37 -0.02 4.03 0.40 -1.26 -1.58 117.98 120.27 1r5i s PHE 148 Ca -0.07 -0.27 0.06 0.00 -0.60 0.00 0.00 56.93 56.05 1r5i s PHE 148 Cb -0.03 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.60 1r5i s PHE 148 CO 0.05 -0.04 -0.21 -1.01 0.70 0.00 0.00 175.22 174.72 1r5i s HIS 149 N -0.30 1.88 0.04 0.36 3.76 -0.75 -0.77 115.29 119.50 1r5i s HIS 149 Ca 0.05 -0.37 0.08 0.00 -0.15 0.00 0.00 55.06 54.67 1r5i s HIS 149 Cb -0.06 -1.21 -0.03 0.00 1.11 0.00 0.00 32.58 32.39 1r5i s HIS 149 CO -0.00 -0.04 -0.23 0.71 -0.85 0.00 0.00 174.74 174.33 1r5i s TYR 150 N -0.45 2.00 -0.23 1.40 1.51 0.61 -0.87 117.35 121.31 1r5i s TYR 150 Ca 0.07 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1r5i s TYR 150 Cb -0.08 -1.20 0.08 0.00 -0.11 0.00 0.00 41.96 40.64 1r5i s TYR 150 CO -0.01 0.09 0.11 -1.17 -1.11 0.00 0.00 175.55 173.46 1r5i s LEU 151 N -1.11 0.56 0.24 -1.29 2.96 -0.43 -2.20 118.68 117.42 1r5i s LEU 151 Ca 0.09 -0.99 -0.30 0.00 -0.22 0.00 0.00 54.13 52.71 1r5i s LEU 151 Cb -0.09 -0.34 -0.09 0.00 0.50 0.00 0.00 46.19 46.17 1r5i s LEU 151 CO 0.02 -0.39 1.22 -2.84 -1.32 0.00 0.00 176.35 173.03 1r5i s PRO 152 N 2.08 4.48 0.17 0.98 0.02 -1.26 -0.34 135.00 141.13 1r5i s PRO 152 Ca 0.05 1.97 -0.14 0.00 0.02 0.00 0.00 61.00 62.90 1r5i s PRO 152 Cb -0.16 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 31.20 1r5i s PRO 152 CO -0.23 -0.07 0.43 -0.59 -0.33 0.00 0.00 177.00 176.21 1r5i s PHE 153 N -0.53 0.03 -0.42 6.54 -0.71 -0.35 -4.92 117.98 117.62 1r5i s PHE 153 Ca 0.51 -0.38 -0.09 0.00 -1.04 0.00 0.00 56.93 55.92 1r5i s PHE 153 Cb -0.35 0.23 0.08 0.00 -1.21 0.00 0.00 43.02 41.77 1r5i s PHE 153 CO 0.42 -0.82 0.26 -0.51 -1.34 0.00 0.00 175.22 173.22 1r5i s LEU 154 N -2.89 5.17 0.54 -1.99 1.02 -1.26 -1.09 118.68 118.17 1r5i s LEU 154 Ca 0.11 -1.53 -0.19 0.00 0.02 0.00 0.00 54.13 52.54 1r5i s LEU 154 Cb 0.01 -1.98 -0.10 0.00 0.02 0.00 0.00 46.19 44.14 1r5i s LEU 154 CO -0.03 -0.54 0.48 -2.65 0.02 0.00 0.00 176.35 173.63 1r5i n PRO 155 N 4.91 0.49 -3.64 1.29 -0.02 -1.26 -4.77 135.00 132.00 1r5i n PRO 155 Ca -0.10 0.19 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 1r5i n PRO 155 Cb 0.43 -1.62 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 1r5i n PRO 155 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1r5i s SER 156 N -1.11 -0.31 0.00 2.55 1.04 -1.26 -2.24 113.70 112.36 1r5i s SER 156 Ca 0.67 -0.33 0.27 0.00 0.48 0.00 0.00 55.95 57.05 1r5i s SER 156 Cb -0.47 0.54 0.97 0.00 0.10 0.00 0.00 66.02 67.15 1r5i s SER 156 CO 0.56 -0.96 1.72 0.35 0.98 0.00 0.00 173.24 175.89 1r5i n THR 157 N -0.30 0.00 -1.64 2.02 -2.24 -1.26 -4.08 114.28 106.77 1r5i n THR 157 Ca -0.14 -0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.54 1r5i n THR 157 Cb 0.63 -0.12 0.15 0.00 -2.10 0.00 0.00 70.33 68.89 1r5i n THR 157 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1r5i n GLU 158 N -1.36 2.27 -4.01 -0.78 0.28 -1.26 -5.02 120.64 110.76 1r5i n GLU 158 Ca 0.08 -3.49 -0.15 0.00 -0.16 0.00 0.00 57.16 53.44 1r5i n GLU 158 Cb 0.32 -1.91 -0.15 0.00 1.43 0.00 0.00 31.44 31.14 1r5i n GLU 158 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1r5i s ASP 159 N -2.99 0.37 -0.10 -1.84 -0.00 -1.26 -5.02 116.67 105.83 1r5i s ASP 159 Ca 0.46 -0.05 0.01 0.00 -0.00 0.00 0.00 52.55 52.97 1r5i s ASP 159 Cb 0.40 -0.09 0.02 0.00 -0.00 0.00 0.00 42.92 43.25 1r5i s ASP 159 CO -0.01 0.00 -0.13 0.68 -0.00 0.00 0.00 175.17 175.71 1r5i s VAL 160 N 0.21 1.34 0.18 -1.27 -7.23 -1.26 -4.71 120.40 107.66 1r5i s VAL 160 Ca -0.02 -0.55 0.08 0.00 -1.81 0.00 0.00 61.98 59.69 1r5i s VAL 160 Cb -0.04 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 1r5i s VAL 160 CO -0.01 0.41 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.84 1r5i s TYR 161 N 1.04 2.73 -0.01 2.82 1.51 0.64 -1.61 117.35 124.47 1r5i s TYR 161 Ca -0.06 -0.18 -0.15 0.00 -1.01 0.00 0.00 57.07 55.66 1r5i s TYR 161 Cb -0.15 -1.32 0.02 0.00 -0.11 0.00 0.00 41.96 40.40 1r5i s TYR 161 CO -0.02 0.52 0.31 0.16 -1.11 0.00 0.00 175.55 175.42 1r5i s ASP 162 N -2.92 -0.19 -0.24 2.29 3.84 -0.54 -0.46 116.67 118.45 1r5i s ASP 162 Ca 0.26 0.07 -0.08 0.00 -0.00 0.00 0.00 52.55 52.80 1r5i s ASP 162 Cb -0.09 0.32 -0.04 0.00 -1.38 0.00 0.00 42.92 41.73 1r5i s ASP 162 CO 0.17 -0.46 0.10 0.00 -0.00 0.00 0.00 175.17 174.97 1r5i s ARG 164 N 1.31 3.46 -0.14 0.00 3.52 0.06 -1.66 118.95 125.50 1r5i s ARG 164 Ca 0.05 -0.62 -0.01 0.00 -0.13 0.00 0.00 55.73 55.02 1r5i s ARG 164 Cb -0.15 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 1r5i s ARG 164 CO 0.05 -0.32 -0.09 0.08 -0.81 0.00 0.00 175.30 174.20 1r5i s VAL 165 N 1.61 3.38 -0.09 7.11 1.01 0.44 -1.30 120.40 132.55 1r5i s VAL 165 Ca 0.05 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1r5i s VAL 165 Cb -0.16 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1r5i s VAL 165 CO 0.05 0.51 -0.18 -1.61 0.00 0.00 0.00 175.10 173.88 1r5i s GLU 166 N 0.33 2.98 -0.15 2.72 2.02 -0.45 -0.63 118.70 125.52 1r5i s GLU 166 Ca -0.08 -0.76 -0.19 0.00 0.02 0.00 0.00 54.97 53.95 1r5i s GLU 166 Cb -0.15 -2.43 0.05 0.00 0.10 0.00 0.00 34.13 31.70 1r5i s GLU 166 CO 0.05 0.33 0.52 -1.58 0.02 0.00 0.00 175.26 174.59 1r5i s HIS 167 N 0.02 -0.53 0.61 1.61 2.46 -1.26 -2.18 115.29 116.02 1r5i s HIS 167 Ca -0.06 1.20 0.28 0.00 0.47 0.00 0.00 55.06 56.95 1r5i s HIS 167 Cb -0.15 0.21 1.45 0.00 -0.13 0.00 0.00 32.58 33.96 1r5i s HIS 167 CO 0.05 -0.34 1.85 -1.49 -2.47 0.00 0.00 174.74 172.34 1r5i h TRP 168 N 4.78 0.00 -0.00 3.88 6.55 -1.95 0.26 115.95 129.47 1r5i h TRP 168 Ca -0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.56 1r5i h TRP 168 Cb 1.17 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.47 1r5i h TRP 168 CO 0.41 0.00 -0.16 0.41 -1.05 0.00 0.00 178.44 178.05 1r5i n GLY 169 N -1.46 -1.39 3.88 1.49 0.00 -1.26 -4.84 105.19 101.61 1r5i n GLY 169 Ca 0.07 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1r5i n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r5i s LEU 170 N -2.96 4.27 -0.08 0.99 1.43 0.93 -4.37 118.68 118.88 1r5i s LEU 170 Ca 0.14 0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 53.78 1r5i s LEU 170 Cb 0.19 -3.30 -0.15 0.00 0.03 0.00 0.00 46.19 42.95 1r5i s LEU 170 CO 0.58 0.06 0.71 0.44 0.23 0.00 0.00 176.35 178.36 1r5i h ASP 171 N 3.03 -0.12 -3.14 2.29 3.32 -1.88 -3.46 116.42 116.45 1r5i h ASP 171 Ca -0.47 -0.42 -0.47 0.00 0.02 0.00 0.00 57.03 55.69 1r5i h ASP 171 Cb 1.17 0.03 -0.14 0.00 0.22 0.00 0.00 39.33 40.61 1r5i h ASP 171 CO 0.70 0.52 -0.69 -1.83 -1.72 0.00 0.00 179.24 176.22 1r5i s GLU 172 N -2.87 1.46 0.38 3.56 -1.05 -1.26 -5.10 118.70 113.82 1r5i s GLU 172 Ca -0.12 -1.72 -0.27 0.00 -0.15 0.00 0.00 54.97 52.71 1r5i s GLU 172 Cb -0.00 -1.06 -0.11 0.00 -0.44 0.00 0.00 34.13 32.51 1r5i s GLU 172 CO 0.44 0.05 1.28 -2.30 0.95 0.00 0.00 175.26 175.68 1r5i n PRO 173 N -0.51 2.03 -3.31 -4.83 -0.02 -1.26 -4.92 135.00 122.18 1r5i n PRO 173 Ca -0.06 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.75 1r5i n PRO 173 Cb 0.63 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 1r5i n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1r5i s LEU 174 N -1.32 4.51 -0.21 2.45 0.20 0.19 -4.93 118.68 119.57 1r5i s LEU 174 Ca 0.58 1.20 -0.02 0.00 0.69 0.00 0.00 54.13 56.57 1r5i s LEU 174 Cb -0.54 -2.84 0.07 0.00 -0.43 0.00 0.00 46.19 42.45 1r5i s LEU 174 CO 0.60 0.27 0.04 -0.22 -0.29 0.00 0.00 176.35 176.75 1r5i s LEU 175 N -1.03 1.39 -0.18 -0.68 0.20 -1.26 -0.42 118.68 116.70 1r5i s LEU 175 Ca 0.28 -0.95 -0.12 0.00 0.69 0.00 0.00 54.13 54.03 1r5i s LEU 175 Cb -0.19 -0.67 -0.05 0.00 -0.43 0.00 0.00 46.19 44.86 1r5i s LEU 175 CO 0.18 -0.32 0.22 -0.54 -0.29 0.00 0.00 176.35 175.61 1r5i s LYS 176 N 1.80 4.23 0.52 1.98 -0.14 -0.66 -4.93 119.74 122.54 1r5i s LYS 176 Ca -0.00 -0.04 -0.01 0.00 -1.36 0.00 0.00 55.97 54.56 1r5i s LYS 176 Cb -0.17 -3.42 0.01 0.00 -1.68 0.00 0.00 37.83 32.57 1r5i s LYS 176 CO -0.10 0.26 0.77 -1.58 -0.76 0.00 0.00 175.35 173.94 1r5i s HIS 177 N 0.43 3.10 -0.30 3.18 2.46 -1.26 -0.77 115.29 122.13 1r5i s HIS 177 Ca 0.13 0.25 -0.13 0.00 0.47 0.00 0.00 55.06 55.78 1r5i s HIS 177 Cb -0.12 -2.59 0.17 0.00 -0.13 0.00 0.00 32.58 29.92 1r5i s HIS 177 CO 0.01 -0.67 0.98 -0.46 -2.47 0.00 0.00 174.74 172.13 1r5i s TRP 178 N -2.75 -0.69 -0.33 3.88 -0.00 0.39 -4.83 118.94 114.61 1r5i s TRP 178 Ca 0.53 0.91 0.17 0.00 -0.00 0.00 0.00 56.10 57.70 1r5i s TRP 178 Cb -0.10 0.31 0.45 0.00 -0.00 0.00 0.00 33.47 34.12 1r5i s TRP 178 CO 0.40 -0.37 1.02 -0.85 -0.00 0.00 0.00 176.95 177.15 1r5i n GLU 179 N 5.25 1.15 0.00 5.86 0.00 -1.26 -0.26 120.64 131.38 1r5i n GLU 179 Ca -0.07 -3.02 0.00 0.00 0.00 0.00 0.00 57.16 54.07 1r5i n GLU 179 Cb 0.53 -1.05 0.00 0.00 0.00 0.00 0.00 31.44 30.92 1r5i n GLU 179 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 1r5i n PHE 180 N -0.15 0.00 -0.31 -1.84 -1.74 -1.26 -5.03 117.46 107.13 1r5i n PHE 180 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.96 1r5i n PHE 180 Cb 0.82 -0.93 0.00 0.00 1.52 0.00 0.00 39.48 40.89 1r5i n PHE 180 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95