#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5i s ASP 2 N 0.00 6.00 0.00 1.61 3.68 -1.26 -4.91 116.67 121.80 1r5i s ASP 2 Ca 0.00 -1.69 0.26 0.00 2.13 0.00 0.00 52.55 53.25 1r5i s ASP 2 Cb 0.00 -2.13 0.73 0.00 -1.45 0.00 0.00 42.92 40.06 1r5i s ASP 2 CO 0.00 -0.74 1.55 1.07 0.13 0.00 0.00 175.17 177.18 1r5i n THR 3 N 5.12 0.00 -1.68 1.71 5.66 -1.26 -4.96 114.28 118.87 1r5i n THR 3 Ca -0.12 -0.08 -0.44 0.00 -3.05 0.00 0.00 64.05 60.37 1r5i n THR 3 Cb 0.41 0.28 -0.02 0.00 -1.55 0.00 0.00 70.33 69.46 1r5i n THR 3 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1r5i n ARG 4 N -0.98 2.04 -2.13 1.09 1.74 -1.26 -4.95 116.66 112.21 1r5i n ARG 4 Ca 0.10 0.72 -0.36 0.00 -0.77 0.00 0.00 57.85 57.54 1r5i n ARG 4 Cb 0.34 -2.34 0.01 0.00 -1.02 0.00 0.00 32.46 29.45 1r5i n ARG 4 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1r5i s PRO 5 N -0.98 3.26 0.13 5.56 0.04 -1.26 -5.04 135.00 136.71 1r5i s PRO 5 Ca 0.63 1.76 0.08 0.00 0.04 0.00 0.00 61.00 63.52 1r5i s PRO 5 Cb -0.62 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 1r5i s PRO 5 CO 0.55 -0.96 -0.14 1.03 0.04 0.00 0.00 177.00 177.52 1r5i s ARG 6 N -3.18 1.94 -0.09 4.56 1.81 -1.26 -5.12 118.95 117.61 1r5i s ARG 6 Ca 0.73 -1.16 0.01 0.00 -1.72 0.00 0.00 55.73 53.60 1r5i s ARG 6 Cb -0.28 -2.18 0.02 0.00 -0.45 0.00 0.00 34.95 32.06 1r5i s ARG 6 CO 0.32 0.48 -0.12 -0.06 -0.68 0.00 0.00 175.30 175.23 1r5i s PHE 7 N -1.30 1.64 -0.02 -0.53 0.08 -1.26 -5.08 117.98 111.51 1r5i s PHE 7 Ca 0.21 -0.72 0.06 0.00 0.12 0.00 0.00 56.93 56.60 1r5i s PHE 7 Cb -0.10 -1.23 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 1r5i s PHE 7 CO 0.12 -0.40 -0.21 -1.17 -0.10 0.00 0.00 175.22 173.46 1r5i s LEU 8 N 1.02 2.34 -0.12 -0.37 2.96 -1.26 -5.00 118.68 118.25 1r5i s LEU 8 Ca -0.07 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1r5i s LEU 8 Cb -0.15 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.15 1r5i s LEU 8 CO -0.01 0.32 -0.06 0.86 -1.32 0.00 0.00 176.35 176.15 1r5i s TRP 9 N -0.68 1.40 0.09 5.38 -0.11 -1.26 0.92 118.94 124.67 1r5i s TRP 9 Ca 0.11 -0.74 0.10 0.00 1.22 0.00 0.00 56.10 56.79 1r5i s TRP 9 Cb -0.10 -1.18 -0.03 0.00 -1.50 0.00 0.00 33.47 30.65 1r5i s TRP 9 CO 0.00 -0.51 -0.26 -0.65 -4.62 0.00 0.00 176.95 170.90 1r5i s GLN 10 N 1.74 1.61 -0.02 5.86 -0.21 0.26 -5.00 119.66 123.90 1r5i s GLN 10 Ca 0.04 -1.23 0.02 0.00 0.02 0.00 0.00 55.36 54.21 1r5i s GLN 10 Cb -0.13 -1.95 0.00 0.00 1.00 0.00 0.00 33.01 31.93 1r5i s GLN 10 CO -0.08 0.48 -0.07 -1.17 -2.12 0.00 0.00 175.29 172.33 1r5i s LEU 11 N -1.69 1.81 -0.01 2.90 2.96 -1.26 -0.24 118.68 123.16 1r5i s LEU 11 Ca 0.13 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 1r5i s LEU 11 Cb -0.10 -0.44 0.01 0.00 0.50 0.00 0.00 46.19 46.16 1r5i s LEU 11 CO 0.04 0.05 0.01 -0.54 -1.32 0.00 0.00 176.35 174.60 1r5i s LYS 12 N 0.15 0.05 -0.26 1.98 1.02 -0.16 -4.99 119.74 117.53 1r5i s LYS 12 Ca -0.02 0.07 0.02 0.00 0.02 0.00 0.00 55.97 56.06 1r5i s LYS 12 Cb -0.07 -0.18 0.05 0.00 -0.52 0.00 0.00 37.83 37.12 1r5i s LYS 12 CO 0.00 -0.07 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.20 1r5i s PHE 13 N 0.52 3.22 -0.20 3.18 0.40 -1.26 0.04 117.98 123.88 1r5i s PHE 13 Ca -0.04 -2.16 -0.07 0.00 -0.60 0.00 0.00 56.93 54.06 1r5i s PHE 13 Cb -0.07 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 1r5i s PHE 13 CO -0.01 -0.85 0.06 -1.21 0.70 0.00 0.00 175.22 173.90 1r5i s GLU 14 N 1.15 3.86 -0.32 0.44 2.02 0.17 -4.95 118.70 121.06 1r5i s GLU 14 Ca -0.07 -0.40 -0.05 0.00 0.02 0.00 0.00 54.97 54.48 1r5i s GLU 14 Cb -0.19 -3.23 0.04 0.00 0.10 0.00 0.00 34.13 30.85 1r5i s GLU 14 CO -0.05 0.13 0.06 0.00 0.02 0.00 0.00 175.26 175.42 1r5i s HIS 16 N 1.35 3.26 -0.11 0.00 3.76 0.19 -4.97 115.29 118.77 1r5i s HIS 16 Ca -0.03 0.16 -0.02 0.00 -0.15 0.00 0.00 55.06 55.02 1r5i s HIS 16 Cb -0.19 -2.33 -0.03 0.00 1.11 0.00 0.00 32.58 31.14 1r5i s HIS 16 CO 0.01 -0.06 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.74 1r5i s PHE 17 N 1.45 3.03 -0.06 1.40 0.08 -1.26 -1.33 117.98 121.28 1r5i s PHE 17 Ca 0.07 -0.06 0.03 0.00 0.12 0.00 0.00 56.93 57.09 1r5i s PHE 17 Cb -0.15 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 1r5i s PHE 17 CO 0.08 0.22 -0.15 -0.06 -0.10 0.00 0.00 175.22 175.21 1r5i s PHE 18 N -0.36 1.67 -0.77 0.36 0.40 -0.00 -4.85 117.98 114.42 1r5i s PHE 18 Ca 0.06 -0.57 -0.00 0.00 -0.60 0.00 0.00 56.93 55.82 1r5i s PHE 18 Cb -0.12 -1.16 0.00 0.00 0.51 0.00 0.00 43.02 42.25 1r5i s PHE 18 CO 0.02 -0.24 0.66 -1.71 0.70 0.00 0.00 175.22 174.65 1r5i n ASN 19 N 3.49 -6.52 0.00 1.36 2.85 -1.26 -2.36 115.26 112.82 1r5i n ASN 19 Ca -0.20 -0.46 0.00 0.00 -0.11 0.00 0.00 54.58 53.81 1r5i n ASN 19 Cb 0.52 -3.72 0.00 0.00 1.24 0.00 0.00 39.78 37.82 1r5i n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1r5i n GLY 20 N -1.70 3.07 0.33 8.20 0.00 -1.26 -2.01 105.19 111.82 1r5i n GLY 20 Ca -0.14 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.75 1r5i n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r5i n THR 21 N 0.00 1.61 0.30 2.61 -2.24 -1.26 -4.79 114.28 110.51 1r5i n THR 21 Ca 0.00 -2.13 -0.17 0.00 -2.27 0.00 0.00 64.05 59.48 1r5i n THR 21 Cb 0.00 -0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.07 1r5i n THR 21 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1r5i h GLU 22 N 0.29 -0.71 -5.29 -0.78 4.81 -1.35 -3.41 114.58 108.15 1r5i h GLU 22 Ca -0.01 0.05 -0.65 0.00 -0.13 0.00 0.00 59.36 58.62 1r5i h GLU 22 Cb 1.10 0.16 -0.25 0.00 0.63 0.00 0.00 28.75 30.39 1r5i h GLU 22 CO 0.01 -0.47 -0.73 0.50 -0.73 0.00 0.00 179.01 177.58 1r5i s ARG 23 N -6.08 3.48 -0.01 1.92 3.00 -1.00 -5.02 118.95 115.25 1r5i s ARG 23 Ca -0.17 -0.62 0.02 0.00 -1.00 0.00 0.00 55.73 53.96 1r5i s ARG 23 Cb 0.04 -2.75 -0.00 0.00 0.00 0.00 0.00 34.95 32.23 1r5i s ARG 23 CO 0.63 0.19 -0.08 0.08 0.00 0.00 0.00 175.30 176.12 1r5i s VAL 24 N 0.44 0.63 -0.03 7.11 1.01 -1.26 -0.82 120.40 127.47 1r5i s VAL 24 Ca -0.07 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1r5i s VAL 24 Cb -0.15 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1r5i s VAL 24 CO 0.04 0.19 -0.13 -0.60 0.00 0.00 0.00 175.10 174.60 1r5i s ARG 25 N -0.04 1.37 -0.18 2.72 3.52 -0.45 -4.99 118.95 120.90 1r5i s ARG 25 Ca 0.01 -0.45 -0.03 0.00 -0.13 0.00 0.00 55.73 55.13 1r5i s ARG 25 Cb -0.05 -1.22 -0.02 0.00 -1.56 0.00 0.00 34.95 32.10 1r5i s ARG 25 CO -0.00 0.18 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.43 1r5i s LEU 26 N 0.12 2.97 -0.22 -0.88 2.96 -1.26 -0.64 118.68 121.73 1r5i s LEU 26 Ca -0.03 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1r5i s LEU 26 Cb -0.10 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.91 1r5i s LEU 26 CO 0.01 0.09 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.79 1r5i s LEU 27 N 0.84 2.65 -0.19 -0.68 1.98 0.69 -1.14 118.68 122.82 1r5i s LEU 27 Ca -0.02 -1.02 -0.06 0.00 -2.89 0.00 0.00 54.13 50.14 1r5i s LEU 27 Cb -0.15 -1.38 -0.03 0.00 0.66 0.00 0.00 46.19 45.29 1r5i s LEU 27 CO 0.01 -0.14 0.03 -0.70 -1.89 0.00 0.00 176.35 173.66 1r5i s GLU 28 N 1.28 3.78 0.00 1.98 2.12 -0.06 0.42 118.70 128.23 1r5i s GLU 28 Ca -0.03 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 54.87 1r5i s GLU 28 Cb -0.17 -3.13 -0.00 0.00 0.26 0.00 0.00 34.13 31.09 1r5i s GLU 28 CO -0.08 0.15 -0.04 1.03 -0.54 0.00 0.00 175.26 175.78 1r5i s ARG 29 N 0.67 0.31 -0.22 4.30 0.52 0.11 -0.67 118.95 123.96 1r5i s ARG 29 Ca 0.01 -0.19 -0.06 0.00 -0.52 0.00 0.00 55.73 54.97 1r5i s ARG 29 Cb -0.14 -0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.04 1r5i s ARG 29 CO 0.02 0.07 0.03 0.00 0.02 0.00 0.00 175.30 175.44 1r5i s ILE 31 N 1.21 1.70 -0.26 0.00 1.09 0.67 -0.36 121.20 125.26 1r5i s ILE 31 Ca 0.04 -0.93 -0.15 0.00 -1.10 0.00 0.00 60.65 58.51 1r5i s ILE 31 Cb -0.14 -1.70 -0.04 0.00 -1.06 0.00 0.00 42.46 39.52 1r5i s ILE 31 CO 0.02 0.29 0.40 -0.47 -0.10 0.00 0.00 174.94 175.07 1r5i s TYR 32 N 1.39 3.27 0.00 3.97 5.04 -0.16 -0.57 117.35 130.29 1r5i s TYR 32 Ca 0.01 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 1r5i s TYR 32 Cb -0.15 -2.58 0.00 0.00 0.35 0.00 0.00 41.96 39.57 1r5i s TYR 32 CO -0.09 -0.20 0.00 0.09 -1.34 0.00 0.00 175.55 174.01 1r5i n ASN 33 N 5.22 0.00 -0.29 4.32 3.02 0.26 -1.72 115.26 126.07 1r5i n ASN 33 Ca -0.08 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.54 1r5i n ASN 33 Cb 0.51 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.79 1r5i n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1r5i n GLN 34 N 0.00 1.01 -4.21 3.52 7.27 -1.26 -4.84 117.38 118.87 1r5i n GLN 34 Ca 0.00 -2.34 -0.27 0.00 0.07 0.00 0.00 57.00 54.46 1r5i n GLN 34 Cb 0.00 -1.25 -0.17 0.00 2.41 0.00 0.00 30.24 31.23 1r5i n GLN 34 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1r5i s GLU 35 N -2.23 1.83 0.15 3.69 2.02 -0.70 -5.11 118.70 118.35 1r5i s GLU 35 Ca 0.26 -0.40 -0.31 0.00 0.02 0.00 0.00 54.97 54.54 1r5i s GLU 35 Cb 0.24 -1.68 -0.08 0.00 0.10 0.00 0.00 34.13 32.71 1r5i s GLU 35 CO 0.00 -0.14 1.36 -2.00 0.02 0.00 0.00 175.26 174.50 1r5i s GLU 36 N 1.26 4.34 -0.15 1.61 2.12 -1.26 -0.99 118.70 125.63 1r5i s GLU 36 Ca -0.02 2.07 -0.01 0.00 0.36 0.00 0.00 54.97 57.37 1r5i s GLU 36 Cb -0.14 -3.22 -0.09 0.00 0.26 0.00 0.00 34.13 30.94 1r5i s GLU 36 CO -0.04 -0.37 -0.14 -1.13 -0.54 0.00 0.00 175.26 173.03 1r5i n SER 37 N 3.44 2.47 -4.11 -1.70 3.41 0.52 -4.28 113.62 113.37 1r5i n SER 37 Ca 0.09 -0.02 -0.11 0.00 -0.26 0.00 0.00 58.87 58.58 1r5i n SER 37 Cb 0.42 -0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 63.99 1r5i n SER 37 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1r5i s VAL 38 N -2.28 0.57 -0.00 -3.33 1.01 -1.24 0.43 120.40 115.56 1r5i s VAL 38 Ca -0.20 -1.54 -0.25 0.00 0.00 0.00 0.00 61.98 59.99 1r5i s VAL 38 Cb 0.06 -1.18 0.06 0.00 0.00 0.00 0.00 36.38 35.31 1r5i s VAL 38 CO 0.32 -0.68 0.55 0.00 0.00 0.00 0.00 175.10 175.29 1r5i s ARG 39 N -2.85 0.99 -0.16 2.72 1.70 -0.89 -1.49 118.95 118.97 1r5i s ARG 39 Ca 0.02 -0.02 0.01 0.00 -0.47 0.00 0.00 55.73 55.27 1r5i s ARG 39 Cb -0.01 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.84 1r5i s ARG 39 CO -0.03 -0.33 -0.20 0.12 -1.08 0.00 0.00 175.30 173.79 1r5i s PHE 40 N -1.74 2.75 -0.27 5.89 2.19 0.15 -1.22 117.98 125.73 1r5i s PHE 40 Ca -0.09 -1.44 -0.03 0.00 0.33 0.00 0.00 56.93 55.71 1r5i s PHE 40 Cb -0.01 -1.89 0.02 0.00 -1.31 0.00 0.00 43.02 39.84 1r5i s PHE 40 CO 0.04 -0.69 -0.02 0.34 1.83 0.00 0.00 175.22 176.72 1r5i s ASP 41 N 1.07 4.58 0.63 6.13 -1.08 -1.26 -0.88 116.67 125.85 1r5i s ASP 41 Ca -0.01 -0.88 0.27 0.00 -0.52 0.00 0.00 52.55 51.42 1r5i s ASP 41 Cb -0.14 -1.72 1.43 0.00 -1.46 0.00 0.00 42.92 41.02 1r5i s ASP 41 CO -0.07 -0.16 1.83 0.77 0.52 0.00 0.00 175.17 178.06 1r5i h SER 42 N 8.06 0.00 0.94 -0.34 4.64 -1.52 1.07 113.55 126.41 1r5i h SER 42 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1r5i h SER 42 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1r5i h SER 42 CO 0.58 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.01 1r5i n ASP 43 N -3.29 0.10 -0.11 4.97 8.00 -1.26 -3.64 116.55 121.32 1r5i n ASP 43 Ca 0.04 0.51 -0.21 0.00 0.71 0.00 0.00 54.79 55.85 1r5i n ASP 43 Cb 0.61 -0.54 -0.09 0.00 -0.02 0.00 0.00 41.12 41.08 1r5i n ASP 43 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1r5i n VAL 44 N -1.60 1.26 -0.17 2.53 0.31 0.36 -5.03 118.33 115.99 1r5i n VAL 44 Ca 0.06 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1r5i n VAL 44 Cb 0.31 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1r5i n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r5i n GLY 45 N 1.92 0.59 3.46 2.92 0.00 -0.44 -5.05 105.19 108.60 1r5i n GLY 45 Ca -0.43 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 1r5i n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r5i s GLU 46 N -0.82 1.32 0.46 1.61 -1.05 -1.26 -4.89 118.70 114.06 1r5i s GLU 46 Ca 0.00 -0.57 -0.24 0.00 -0.15 0.00 0.00 54.97 54.02 1r5i s GLU 46 Cb 0.00 0.58 -0.07 0.00 -0.44 0.00 0.00 34.13 34.20 1r5i s GLU 46 CO 0.00 -0.58 1.22 0.71 0.95 0.00 0.00 175.26 177.56 1r5i s TYR 47 N -3.78 2.79 -0.02 4.83 2.02 -1.26 -4.28 117.35 117.65 1r5i s TYR 47 Ca 0.03 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.22 1r5i s TYR 47 Cb -0.01 -3.50 0.02 0.00 -0.40 0.00 0.00 41.96 38.07 1r5i s TYR 47 CO -0.10 -1.81 0.01 1.03 -1.57 0.00 0.00 175.55 173.11 1r5i s ARG 48 N -2.60 0.12 0.16 -0.62 1.81 -0.36 -4.92 118.95 112.54 1r5i s ARG 48 Ca 0.63 0.08 -0.30 0.00 -1.72 0.00 0.00 55.73 54.41 1r5i s ARG 48 Cb -0.32 -0.28 -0.08 0.00 -0.45 0.00 0.00 34.95 33.82 1r5i s ARG 48 CO 0.40 -0.10 1.20 0.00 -0.68 0.00 0.00 175.30 176.13 1r5i s ALA 49 N 0.72 3.44 -0.12 2.13 0.00 -1.26 -2.09 121.76 124.57 1r5i s ALA 49 Ca -0.06 0.94 0.03 0.00 0.00 0.00 0.00 51.96 52.87 1r5i s ALA 49 Cb -0.09 -3.42 -0.24 0.00 0.00 0.00 0.00 23.12 19.36 1r5i s ALA 49 CO -0.02 -0.39 0.37 0.28 0.00 0.00 0.00 175.76 176.01 1r5i n VAL 50 N 2.79 1.66 -4.27 0.00 0.31 0.17 -4.96 118.33 114.02 1r5i n VAL 50 Ca 0.05 -0.71 -0.15 0.00 -0.01 0.00 0.00 64.34 63.52 1r5i n VAL 50 Cb 0.45 -1.34 -0.10 0.00 -0.91 0.00 0.00 33.84 31.94 1r5i n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1r5i s THR 51 N -2.56 0.97 0.28 2.52 -4.23 -1.06 -4.99 115.64 106.56 1r5i s THR 51 Ca -0.17 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.33 1r5i s THR 51 Cb 0.07 -2.10 0.28 0.00 1.34 0.00 0.00 72.50 72.10 1r5i s THR 51 CO 0.78 -0.52 1.83 -0.33 -0.54 0.00 0.00 174.62 175.84 1r5i h GLU 52 N 2.65 0.96 0.00 3.99 4.39 -1.93 -1.00 114.58 123.64 1r5i h GLU 52 Ca -0.37 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1r5i h GLU 52 Cb 1.21 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1r5i h GLU 52 CO 0.64 0.63 0.16 -0.07 -1.16 0.00 0.00 179.01 179.21 1r5i h LEU 53 N 0.99 0.00 0.00 1.33 3.38 -1.97 -1.52 115.31 117.52 1r5i h LEU 53 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1r5i h LEU 53 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1r5i h LEU 53 CO -0.27 0.00 -0.80 0.61 0.09 0.00 0.00 178.44 178.07 1r5i n GLY 54 N -1.20 -1.23 0.26 0.83 0.00 -0.38 -4.48 105.19 98.98 1r5i n GLY 54 Ca -0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 1r5i n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1r5i h ARG 55 N 0.00 -0.15 -0.85 1.61 2.47 -1.36 -2.11 114.38 114.00 1r5i h ARG 55 Ca 0.00 0.01 0.18 0.00 -1.26 0.00 0.00 59.98 58.91 1r5i h ARG 55 Cb 0.64 0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 28.88 1r5i h ARG 55 CO 0.00 -0.10 0.37 -1.35 0.56 0.00 0.00 179.97 179.45 1r5i h PRO 56 N -0.15 0.44 -0.41 0.04 0.11 -1.79 -0.92 132.00 129.31 1r5i h PRO 56 Ca 0.18 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.14 1r5i h PRO 56 Cb 0.44 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1r5i h PRO 56 CO -0.46 0.29 -0.23 -0.44 -0.21 0.00 0.00 178.00 176.95 1r5i h ASP 57 N 0.45 0.92 -0.22 -2.05 3.32 -1.69 -0.86 116.42 116.29 1r5i h ASP 57 Ca 0.50 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1r5i h ASP 57 Cb 0.86 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1r5i h ASP 57 CO -0.47 1.13 0.07 0.00 -1.72 0.00 0.00 179.24 178.25 1r5i h ALA 58 N 0.82 0.29 -0.41 3.45 0.00 -0.91 -0.10 119.26 122.39 1r5i h ALA 58 Ca 0.09 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1r5i h ALA 58 Cb 0.80 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1r5i h ALA 58 CO 0.07 -0.08 0.12 1.49 0.00 0.00 0.00 179.25 180.85 1r5i h GLU 59 N 0.19 0.27 0.31 0.00 4.81 -1.13 0.23 114.58 119.24 1r5i h GLU 59 Ca 0.07 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1r5i h GLU 59 Cb 0.24 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1r5i h GLU 59 CO -0.00 0.18 -0.15 -0.92 -0.73 0.00 0.00 179.01 177.39 1r5i h TYR 60 N 0.27 -0.38 -0.70 0.92 3.20 -0.99 -3.20 116.97 116.09 1r5i h TYR 60 Ca 0.19 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1r5i h TYR 60 Cb 0.20 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1r5i h TYR 60 CO -0.17 -0.05 0.32 -1.49 -1.64 0.00 0.00 178.16 175.13 1r5i h TRP 61 N -0.76 1.01 0.00 -3.82 6.55 -0.94 -2.67 115.95 115.31 1r5i h TRP 61 Ca -0.04 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.75 1r5i h TRP 61 Cb 0.50 -0.31 0.00 0.00 -0.86 0.00 0.00 29.16 28.49 1r5i h TRP 61 CO 0.02 0.75 0.00 -0.91 -1.05 0.00 0.00 178.44 177.25 1r5i h ASN 62 N 1.00 0.00 -0.01 -3.49 2.35 -1.02 -1.40 115.58 113.02 1r5i h ASN 62 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1r5i h ASN 62 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1r5i h ASN 62 CO -0.03 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.21 1r5i n SER 63 N -2.82 0.46 -4.38 5.81 3.41 -1.01 -4.54 113.62 110.55 1r5i n SER 63 Ca 0.00 -1.17 -0.45 0.00 -0.26 0.00 0.00 58.87 56.99 1r5i n SER 63 Cb 0.22 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 1r5i n SER 63 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1r5i s GLN 64 N -2.00 3.99 0.21 4.33 2.00 -0.53 -4.93 119.66 122.73 1r5i s GLN 64 Ca 0.44 -2.75 -0.19 0.00 -2.00 0.00 0.00 55.36 50.87 1r5i s GLN 64 Cb 0.21 -4.70 0.18 0.00 0.80 0.00 0.00 33.01 29.51 1r5i s GLN 64 CO 0.35 -1.44 1.58 -0.22 -0.50 0.00 0.00 175.29 175.06 1r5i h LYS 65 N 7.25 -0.09 -0.99 1.67 3.11 -1.85 -0.54 116.57 125.13 1r5i h LYS 65 Ca 0.20 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 58.06 1r5i h LYS 65 Cb 0.92 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 32.12 1r5i h LYS 65 CO 1.03 -0.06 0.65 0.38 -2.81 0.00 0.00 179.45 178.64 1r5i h ASP 66 N -0.10 1.12 0.47 4.20 2.03 -1.97 -2.56 116.42 119.62 1r5i h ASP 66 Ca 0.28 -0.02 -0.02 0.00 -0.73 0.00 0.00 57.03 56.54 1r5i h ASP 66 Cb 0.57 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 1r5i h ASP 66 CO -0.78 0.79 -0.23 0.25 -1.03 0.00 0.00 179.24 178.25 1r5i h LEU 67 N 1.31 -0.54 -1.74 0.15 5.85 -1.48 -2.39 115.31 116.49 1r5i h LEU 67 Ca 0.37 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.16 1r5i h LEU 67 Cb -0.10 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1r5i h LEU 67 CO -0.09 -0.33 0.33 -0.07 -0.34 0.00 0.00 178.44 177.93 1r5i h LEU 68 N -0.70 0.28 -0.59 2.25 3.38 -1.28 -0.09 115.31 118.55 1r5i h LEU 68 Ca -0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1r5i h LEU 68 Cb 0.52 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1r5i h LEU 68 CO 0.11 0.17 -0.15 -0.33 0.09 0.00 0.00 178.44 178.33 1r5i h GLU 69 N 0.31 0.96 0.07 1.13 5.08 -1.24 -0.85 114.58 120.04 1r5i h GLU 69 Ca 0.22 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1r5i h GLU 69 Cb 0.46 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1r5i h GLU 69 CO -0.05 1.04 -0.03 0.37 -1.00 0.00 0.00 179.01 179.33 1r5i h GLN 70 N 0.85 -0.09 -0.43 2.33 -0.00 -0.53 -2.24 115.11 115.00 1r5i h GLN 70 Ca 0.13 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.76 1r5i h GLN 70 Cb 0.71 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.19 1r5i h GLN 70 CO 0.05 -0.05 0.18 0.00 0.00 0.00 0.00 178.83 179.01 1r5i h ARG 71 N -0.11 0.64 -0.00 1.69 2.47 -1.23 0.15 114.38 117.99 1r5i h ARG 71 Ca -0.01 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1r5i h ARG 71 Cb 0.08 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1r5i h ARG 71 CO 0.02 0.58 0.00 0.00 0.56 0.00 0.00 179.97 181.13 1r5i h ARG 72 N 0.55 0.00 0.00 0.04 3.08 -1.05 -1.99 114.38 115.01 1r5i h ARG 72 Ca 0.14 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.95 1r5i h ARG 72 Cb 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1r5i h ARG 72 CO -0.01 0.00 -1.59 0.00 -1.07 0.00 0.00 179.97 177.29 1r5i n ALA 73 N -2.44 1.68 -0.54 0.04 0.00 -0.85 -4.17 120.51 114.23 1r5i n ALA 73 Ca -0.03 -0.68 0.44 0.00 0.00 0.00 0.00 53.44 53.17 1r5i n ALA 73 Cb 0.09 -0.89 0.72 0.00 0.00 0.00 0.00 19.45 19.37 1r5i n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r5i h ALA 74 N 1.18 3.16 -0.70 0.00 0.00 0.08 0.92 119.26 123.90 1r5i h ALA 74 Ca -0.24 0.06 0.20 0.00 0.00 0.00 0.00 54.91 54.93 1r5i h ALA 74 Cb 1.83 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 1r5i h ALA 74 CO 0.06 -1.78 0.68 0.28 0.00 0.00 0.00 179.25 178.49 1r5i h VAL 75 N 0.03 0.32 0.00 0.00 2.07 -1.72 0.27 116.25 117.21 1r5i h VAL 75 Ca 0.87 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 68.17 1r5i h VAL 75 Cb 3.06 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 33.26 1r5i h VAL 75 CO -0.29 0.00 -1.80 0.47 0.02 0.00 0.00 177.57 175.97 1r5i n ASP 76 N -3.74 2.18 0.16 0.57 8.00 0.32 -2.38 116.55 121.65 1r5i n ASP 76 Ca 0.14 0.03 0.13 0.00 0.71 0.00 0.00 54.79 55.80 1r5i n ASP 76 Cb 0.93 -0.30 0.48 0.00 -0.02 0.00 0.00 41.12 42.21 1r5i n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1r5i h THR 77 N -0.21 0.00 0.00 -3.53 1.35 -1.13 -2.94 112.91 106.45 1r5i h THR 77 Ca -0.33 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1r5i h THR 77 Cb 1.42 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1r5i h THR 77 CO -0.12 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.15 1r5i n TYR 78 N -2.49 0.00 0.05 4.73 9.36 0.89 -4.61 117.16 125.08 1r5i n TYR 78 Ca 0.03 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.19 1r5i n TYR 78 Cb 0.32 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.00 1r5i n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1r5i h ARG 80 N -0.28 1.01 0.57 0.00 9.65 -1.60 -1.69 114.38 122.04 1r5i h ARG 80 Ca -0.01 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 1r5i h ARG 80 Cb 0.27 -0.23 0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1r5i h ARG 80 CO -0.08 0.67 -0.27 1.25 2.80 0.00 0.00 179.97 184.34 1r5i h HIS 81 N 1.04 -0.70 -0.00 2.20 2.76 -1.30 -2.83 115.15 116.31 1r5i h HIS 81 Ca 0.47 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.58 1r5i h HIS 81 Cb 0.39 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 1r5i h HIS 81 CO -0.00 -0.40 -0.25 -0.91 -1.30 0.00 0.00 177.93 175.07 1r5i h ASN 82 N -0.85 0.00 -0.51 3.26 2.35 -0.71 -1.19 115.58 117.92 1r5i h ASN 82 Ca -0.08 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1r5i h ASN 82 Cb 0.62 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 1r5i h ASN 82 CO 0.13 0.25 0.34 0.22 -1.65 0.00 0.00 177.43 176.71 1r5i h TYR 83 N 0.00 0.65 0.17 1.19 5.03 -1.26 -2.49 116.97 120.27 1r5i h TYR 83 Ca -0.00 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1r5i h TYR 83 Cb 0.43 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.50 1r5i h TYR 83 CO 0.00 0.41 -0.08 0.78 -1.32 0.00 0.00 178.16 177.95 1r5i h GLY 84 N 0.70 -0.24 -0.99 1.82 0.00 -1.13 -1.07 103.07 102.15 1r5i h GLY 84 Ca 0.19 0.09 0.42 0.00 0.00 0.00 0.00 47.33 48.03 1r5i h GLY 84 CO -0.04 -0.09 0.95 -2.08 0.00 0.00 0.00 176.54 175.28 1r5i h VAL 85 N -0.55 0.22 -0.01 4.60 2.07 -1.04 -2.15 116.25 119.39 1r5i h VAL 85 Ca -0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1r5i h VAL 85 Cb 0.42 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1r5i h VAL 85 CO 0.04 0.02 -0.06 0.61 0.02 0.00 0.00 177.57 178.19 1r5i n GLY 86 N -1.66 -0.47 0.35 2.17 0.00 -0.96 -4.76 105.19 99.87 1r5i n GLY 86 Ca 0.35 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1r5i n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1r5i h GLU 87 N 1.32 0.00 -0.31 1.61 4.81 -0.49 -2.05 114.58 119.47 1r5i h GLU 87 Ca 0.00 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1r5i h GLU 87 Cb 0.31 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.64 1r5i h GLU 87 CO 0.00 0.00 -0.37 0.77 -0.73 0.00 0.00 179.01 178.68 1r5i h SER 88 N 0.00 -1.26 -0.03 1.04 0.02 -1.86 -1.56 113.55 109.90 1r5i h SER 88 Ca 0.54 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.66 1r5i h SER 88 Cb 0.98 0.52 0.00 0.00 0.14 0.00 0.00 62.40 64.04 1r5i h SER 88 CO -0.98 -0.26 0.00 2.22 -1.14 0.00 0.00 176.83 176.67 1r5i n PHE 89 N -4.48 0.02 0.00 3.45 -1.74 -0.93 -3.49 117.46 110.29 1r5i n PHE 89 Ca -0.02 -0.01 0.00 0.00 -0.56 0.00 0.00 57.45 56.86 1r5i n PHE 89 Cb 0.22 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.22 1r5i n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1r5i n THR 90 N -0.09 0.00 -0.24 1.97 -2.24 -0.82 -4.27 114.28 108.58 1r5i n THR 90 Ca 0.20 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.19 1r5i n THR 90 Cb 0.29 -0.38 0.56 0.00 -2.10 0.00 0.00 70.33 68.70 1r5i n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1r5i h VAL 91 N 0.00 0.62 0.00 2.28 2.07 -1.70 -0.32 116.25 119.21 1r5i h VAL 91 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1r5i h VAL 91 Cb 0.00 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1r5i h VAL 91 CO 0.00 0.06 -0.75 1.56 0.02 0.00 0.00 177.57 178.45 1r5i h GLN 92 N 0.31 0.00 -6.27 1.57 1.08 -1.39 -3.47 115.11 106.95 1r5i h GLN 92 Ca 0.48 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 57.05 1r5i h GLN 92 Cb 1.35 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.80 1r5i h GLN 92 CO -0.15 0.00 1.08 -2.13 -0.95 0.00 0.00 178.83 176.68 1r5i n ARG 93 N -2.33 2.10 -4.20 1.46 0.63 -0.13 -4.96 116.66 109.22 1r5i n ARG 93 Ca 0.02 0.77 -0.21 0.00 -0.92 0.00 0.00 57.85 57.51 1r5i n ARG 93 Cb 0.48 -2.60 -0.16 0.00 0.45 0.00 0.00 32.46 30.62 1r5i n ARG 93 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1r5i s ARG 94 N 3.99 0.97 -0.08 -0.14 1.81 -1.26 -4.21 118.95 120.02 1r5i s ARG 94 Ca 0.93 -0.15 -0.01 0.00 -1.72 0.00 0.00 55.73 54.78 1r5i s ARG 94 Cb -0.72 -0.95 0.03 0.00 -0.45 0.00 0.00 34.95 32.85 1r5i s ARG 94 CO 0.53 -0.08 0.00 0.08 -0.68 0.00 0.00 175.30 175.15 1r5i s VAL 95 N 0.95 0.41 0.17 3.52 1.01 0.36 -4.95 120.40 121.87 1r5i s VAL 95 Ca -0.10 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.63 1r5i s VAL 95 Cb -0.14 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.56 1r5i s VAL 95 CO 0.00 0.24 1.49 -0.70 0.00 0.00 0.00 175.10 176.13 1r5i s GLU 96 N 1.96 4.26 0.59 2.72 2.12 -1.26 -1.26 118.70 127.82 1r5i s GLU 96 Ca 0.05 2.27 -0.16 0.00 0.36 0.00 0.00 54.97 57.48 1r5i s GLU 96 Cb -0.13 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1r5i s GLU 96 CO -0.06 -0.52 1.07 -1.25 -0.54 0.00 0.00 175.26 173.97 1r5i s PRO 97 N 0.78 3.30 -0.24 4.30 0.04 -1.26 -4.55 135.00 137.37 1r5i s PRO 97 Ca 0.66 1.27 -0.07 0.00 0.04 0.00 0.00 61.00 62.91 1r5i s PRO 97 Cb -0.41 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1r5i s PRO 97 CO 0.34 -0.83 0.05 0.21 0.04 0.00 0.00 177.00 176.80 1r5i s LYS 98 N -3.93 3.61 -0.10 4.56 2.20 -0.04 -4.92 119.74 121.11 1r5i s LYS 98 Ca 0.65 -0.50 -0.03 0.00 -0.36 0.00 0.00 55.97 55.73 1r5i s LYS 98 Cb -0.17 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 1r5i s LYS 98 CO 0.35 -0.17 0.01 0.08 -0.36 0.00 0.00 175.35 175.27 1r5i s VAL 99 N 1.52 4.40 -0.04 4.02 1.01 -1.26 -1.73 120.40 128.33 1r5i s VAL 99 Ca 0.06 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 1r5i s VAL 99 Cb -0.15 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.38 1r5i s VAL 99 CO 0.02 0.58 0.31 0.42 0.00 0.00 0.00 175.10 176.44 1r5i s THR 100 N -0.65 0.04 -0.05 3.92 -4.23 -0.35 -5.00 115.64 109.33 1r5i s THR 100 Ca 0.11 -0.37 0.05 0.00 -1.18 0.00 0.00 61.69 60.30 1r5i s THR 100 Cb -0.12 -0.57 -0.01 0.00 1.34 0.00 0.00 72.50 73.14 1r5i s THR 100 CO 0.02 -0.20 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.00 1r5i s VAL 101 N -0.98 1.71 -0.03 2.29 1.01 -1.26 -0.21 120.40 122.93 1r5i s VAL 101 Ca -0.10 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 1r5i s VAL 101 Cb -0.05 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.90 1r5i s VAL 101 CO 0.03 0.48 0.32 -0.72 0.00 0.00 0.00 175.10 175.21 1r5i s TYR 102 N 0.00 -0.21 0.83 5.22 1.13 -0.90 -4.99 117.35 118.43 1r5i s TYR 102 Ca -0.05 0.36 -0.12 0.00 -1.41 0.00 0.00 57.07 55.85 1r5i s TYR 102 Cb -0.13 0.10 0.09 0.00 -1.10 0.00 0.00 41.96 40.92 1r5i s TYR 102 CO 0.03 -0.36 1.15 -1.25 -2.51 0.00 0.00 175.55 172.61 1r5i s PRO 103 N -1.12 1.84 -0.08 -3.49 0.04 -1.26 -0.72 135.00 130.20 1r5i s PRO 103 Ca -0.12 0.25 -0.30 0.00 0.04 0.00 0.00 61.00 60.88 1r5i s PRO 103 Cb -0.05 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 32.67 1r5i s PRO 103 CO 0.04 -1.71 0.88 0.45 0.04 0.00 0.00 177.00 176.70 1r5i s SER 104 N -4.33 -0.44 -0.13 6.66 0.15 -0.69 -4.80 113.70 110.11 1r5i s SER 104 Ca 0.62 0.36 -0.13 0.00 0.70 0.00 0.00 55.95 57.50 1r5i s SER 104 Cb -0.12 0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 64.53 1r5i s SER 104 CO 0.51 -0.50 0.30 -0.54 1.20 0.00 0.00 173.24 174.22 1r5i s LYS 105 N -1.72 4.13 0.51 5.44 3.01 -1.26 -2.54 119.74 127.31 1r5i s LYS 105 Ca -0.02 0.14 0.32 0.00 -1.01 0.00 0.00 55.97 55.39 1r5i s LYS 105 Cb -0.00 -3.37 1.23 0.00 -1.01 0.00 0.00 37.83 34.67 1r5i s LYS 105 CO 0.00 0.36 1.92 1.15 0.51 0.00 0.00 175.35 179.29 1r5i h THR 106 N 4.47 0.00 -2.06 2.17 2.02 -1.93 -3.44 112.91 114.14 1r5i h THR 106 Ca -0.44 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.16 1r5i h THR 106 Cb 1.18 1.51 -0.21 0.00 -1.74 0.00 0.00 68.15 68.89 1r5i h THR 106 CO 0.72 0.00 0.10 -1.10 0.37 0.00 0.00 175.52 175.61 1r5i s GLN 107 N -3.59 0.82 0.00 6.66 -0.21 -1.26 -5.03 119.66 117.05 1r5i s GLN 107 Ca 0.02 0.94 0.00 0.00 0.02 0.00 0.00 55.36 56.34 1r5i s GLN 107 Cb 0.09 0.40 0.00 0.00 1.00 0.00 0.00 33.01 34.49 1r5i s GLN 107 CO 0.54 -0.10 0.25 -0.35 -2.12 0.00 0.00 175.29 173.51 1r5i n PRO 108 N 2.64 0.46 0.00 2.91 -0.04 -1.26 -0.86 135.00 138.86 1r5i n PRO 108 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1r5i n PRO 108 Cb 0.55 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 1r5i n PRO 108 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1r5i n LEU 109 N 0.20 0.43 -4.86 1.53 -0.00 -1.26 -5.08 117.00 107.95 1r5i n LEU 109 Ca 0.00 -0.43 -0.22 0.00 -0.00 0.00 0.00 56.01 55.36 1r5i n LEU 109 Cb 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.49 1r5i n LEU 109 CO 0.00 0.11 -0.01 -1.10 -0.00 0.00 0.00 177.39 176.39 1r5i s GLN 110 N -0.19 2.42 0.00 1.47 -1.52 -0.04 -5.14 119.66 116.66 1r5i s GLN 110 Ca 0.00 -1.69 0.00 0.00 -1.95 0.00 0.00 55.36 51.72 1r5i s GLN 110 Cb 0.00 -2.26 0.00 0.00 -0.22 0.00 0.00 33.01 30.53 1r5i s GLN 110 CO 0.00 -0.28 0.00 0.72 -0.25 0.00 0.00 175.29 175.48 1r5i n HIS 111 N -1.55 0.00 -3.19 0.91 8.25 -1.26 -4.89 115.22 113.49 1r5i n HIS 111 Ca 0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.22 1r5i n HIS 111 Cb 0.63 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.68 1r5i n HIS 111 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1r5i n HIS 112 N 0.00 3.49 0.00 4.41 8.25 -1.26 -4.74 115.22 125.37 1r5i n HIS 112 Ca 0.00 -4.04 0.00 0.00 -0.26 0.00 0.00 57.72 53.42 1r5i n HIS 112 Cb 0.00 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 30.60 1r5i n HIS 112 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1r5i n ASN 113 N 0.36 0.00 -4.70 0.41 3.02 -1.24 -4.58 115.26 108.54 1r5i n ASN 113 Ca 0.30 0.40 -0.27 0.00 -0.03 0.00 0.00 54.58 54.98 1r5i n ASN 113 Cb 0.42 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.52 1r5i n ASN 113 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1r5i s LEU 114 N -1.61 3.44 -0.13 3.41 2.34 -1.05 -2.50 118.68 122.58 1r5i s LEU 114 Ca 0.00 -0.31 -0.09 0.00 0.06 0.00 0.00 54.13 53.79 1r5i s LEU 114 Cb 0.00 -2.09 -0.04 0.00 -0.56 0.00 0.00 46.19 43.49 1r5i s LEU 114 CO 0.00 0.09 0.16 -0.76 -1.06 0.00 0.00 176.35 174.78 1r5i s LEU 115 N -2.91 4.35 -0.20 1.48 1.43 -0.67 -1.71 118.68 120.44 1r5i s LEU 115 Ca 0.28 0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 53.77 1r5i s LEU 115 Cb -0.10 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1r5i s LEU 115 CO 0.20 0.34 0.02 -0.69 0.23 0.00 0.00 176.35 176.44 1r5i s VAL 116 N -0.63 4.11 -0.40 -1.59 1.01 0.10 -0.81 120.40 122.18 1r5i s VAL 116 Ca 0.14 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 1r5i s VAL 116 Cb -0.12 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.42 1r5i s VAL 116 CO 0.03 0.42 0.26 0.00 0.00 0.00 0.00 175.10 175.81 1r5i s SER 118 N 1.74 6.55 -0.26 0.00 0.15 0.71 -1.80 113.70 120.79 1r5i s SER 118 Ca 0.03 0.67 0.02 0.00 0.70 0.00 0.00 55.95 57.37 1r5i s SER 118 Cb -0.20 -2.31 0.07 0.00 -1.71 0.00 0.00 66.02 61.87 1r5i s SER 118 CO 0.08 -0.29 -0.04 -0.69 1.20 0.00 0.00 173.24 173.49 1r5i s VAL 119 N 2.18 1.71 0.28 4.45 1.01 -0.81 -1.21 120.40 128.01 1r5i s VAL 119 Ca 0.25 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 60.80 1r5i s VAL 119 Cb -0.16 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 1r5i s VAL 119 CO 0.09 -0.19 0.05 -0.94 0.00 0.00 0.00 175.10 174.12 1r5i s SER 120 N 1.29 1.90 -1.84 3.32 1.04 -0.70 -1.24 113.70 117.46 1r5i s SER 120 Ca -0.03 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1r5i s SER 120 Cb -0.19 0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1r5i s SER 120 CO -0.07 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1r5i n GLY 121 N -0.55 1.49 3.97 7.32 0.00 -0.64 -0.86 105.19 115.92 1r5i n GLY 121 Ca -0.02 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1r5i n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r5i s PHE 122 N -2.69 3.21 -0.28 1.61 -0.12 -1.04 -4.64 117.98 114.03 1r5i s PHE 122 Ca 0.00 -0.02 -0.20 0.00 -0.05 0.00 0.00 56.93 56.67 1r5i s PHE 122 Cb 0.00 -2.05 0.09 0.00 -0.63 0.00 0.00 43.02 40.43 1r5i s PHE 122 CO 0.00 -0.07 0.80 -0.47 -0.05 0.00 0.00 175.22 175.42 1r5i s TYR 123 N -2.29 -0.82 1.23 3.49 6.14 -0.39 -0.24 117.35 124.47 1r5i s TYR 123 Ca 0.45 1.77 -0.19 0.00 0.64 0.00 0.00 57.07 59.74 1r5i s TYR 123 Cb -0.10 0.44 0.29 0.00 0.42 0.00 0.00 41.96 43.02 1r5i s TYR 123 CO 0.33 -0.40 1.07 -2.14 0.64 0.00 0.00 175.55 175.05 1r5i s PRO 124 N 1.02 -1.41 0.37 4.97 0.02 -1.26 -0.49 135.00 138.21 1r5i s PRO 124 Ca -0.05 0.08 0.27 0.00 0.02 0.00 0.00 61.00 61.33 1r5i s PRO 124 Cb -0.05 -1.56 1.01 0.00 0.02 0.00 0.00 34.50 33.92 1r5i s PRO 124 CO -0.11 -3.87 1.80 0.78 -0.33 0.00 0.00 177.00 175.27 1r5i h GLY 125 N -2.70 0.00 -5.43 0.52 0.00 -1.99 -3.44 103.07 90.03 1r5i h GLY 125 Ca -0.47 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.31 1r5i h GLY 125 CO 0.36 0.00 1.12 -0.45 0.00 0.00 0.00 176.54 177.58 1r5i s SER 126 N -4.99 6.56 0.19 0.19 0.15 -1.26 -4.96 113.70 109.59 1r5i s SER 126 Ca 0.05 2.20 -0.21 0.00 0.70 0.00 0.00 55.95 58.69 1r5i s SER 126 Cb 0.09 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.92 1r5i s SER 126 CO 0.50 -1.02 0.58 -0.51 1.20 0.00 0.00 173.24 174.00 1r5i s ILE 127 N 4.38 0.01 -0.06 6.45 2.07 -1.26 -4.54 121.20 128.26 1r5i s ILE 127 Ca 0.76 -0.42 0.01 0.00 -1.41 0.00 0.00 60.65 59.59 1r5i s ILE 127 Cb -0.33 -1.33 0.02 0.00 0.13 0.00 0.00 42.46 40.95 1r5i s ILE 127 CO 0.31 -0.06 -0.06 -1.61 -1.91 0.00 0.00 174.94 171.61 1r5i s GLU 128 N -3.81 1.08 -0.12 3.50 2.02 -0.66 -5.01 118.70 115.70 1r5i s GLU 128 Ca 0.05 -0.15 -0.00 0.00 0.02 0.00 0.00 54.97 54.88 1r5i s GLU 128 Cb -0.02 -1.10 0.02 0.00 0.10 0.00 0.00 34.13 33.14 1r5i s GLU 128 CO -0.07 -0.13 -0.10 0.08 0.02 0.00 0.00 175.26 175.06 1r5i s VAL 129 N 1.17 1.23 0.09 2.63 1.01 -1.26 -1.24 120.40 124.04 1r5i s VAL 129 Ca -0.06 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.59 1r5i s VAL 129 Cb -0.14 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1r5i s VAL 129 CO -0.01 0.40 -0.23 -0.13 0.00 0.00 0.00 175.10 175.13 1r5i s ARG 130 N 1.60 1.30 -0.14 2.72 0.52 -0.30 -4.98 118.95 119.66 1r5i s ARG 130 Ca 0.04 -1.17 -0.03 0.00 -0.52 0.00 0.00 55.73 54.06 1r5i s ARG 130 Cb -0.13 -1.59 -0.03 0.00 0.52 0.00 0.00 34.95 33.72 1r5i s ARG 130 CO -0.09 0.38 -0.05 -1.58 0.02 0.00 0.00 175.30 173.99 1r5i s TRP 131 N -1.04 3.00 -0.05 -0.53 0.23 -1.26 -1.17 118.94 118.12 1r5i s TRP 131 Ca 0.09 -0.29 0.04 0.00 -2.03 0.00 0.00 56.10 53.91 1r5i s TRP 131 Cb -0.10 -1.92 -0.00 0.00 0.03 0.00 0.00 33.47 31.48 1r5i s TRP 131 CO 0.04 -0.01 -0.18 -0.06 0.96 0.00 0.00 176.95 177.70 1r5i s PHE 132 N 0.22 1.85 -0.45 -1.98 0.40 0.03 0.83 117.98 118.89 1r5i s PHE 132 Ca -0.03 -0.58 -0.02 0.00 -0.60 0.00 0.00 56.93 55.70 1r5i s PHE 132 Cb -0.14 -1.25 0.12 0.00 0.51 0.00 0.00 43.02 42.26 1r5i s PHE 132 CO 0.03 -0.21 0.24 0.50 0.70 0.00 0.00 175.22 176.48 1r5i s ARG 133 N 0.12 2.08 -1.00 0.44 3.52 0.19 0.06 118.95 124.36 1r5i s ARG 133 Ca -0.07 -1.97 -0.03 0.00 -0.13 0.00 0.00 55.73 53.53 1r5i s ARG 133 Cb -0.13 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 1r5i s ARG 133 CO 0.03 -1.09 0.86 0.09 -0.81 0.00 0.00 175.30 174.38 1r5i n ASN 134 N 4.35 -3.55 0.00 -2.12 3.02 -0.87 -2.61 115.26 113.47 1r5i n ASN 134 Ca -0.00 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 1r5i n ASN 134 Cb 0.40 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 1r5i n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r5i n GLY 135 N -1.37 2.81 3.63 7.41 0.00 -1.26 -4.99 105.19 111.42 1r5i n GLY 135 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1r5i n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r5i s GLN 136 N -0.11 4.07 0.34 1.61 1.11 -1.07 -5.04 119.66 120.57 1r5i s GLN 136 Ca 0.00 0.02 -0.29 0.00 0.01 0.00 0.00 55.36 55.10 1r5i s GLN 136 Cb 0.00 -3.60 -0.11 0.00 -1.01 0.00 0.00 33.01 28.29 1r5i s GLN 136 CO 0.00 -0.14 1.41 -2.00 0.01 0.00 0.00 175.29 174.57 1r5i s GLU 137 N 1.64 4.23 -0.07 2.91 2.12 -1.26 -0.64 118.70 127.63 1r5i s GLU 137 Ca 0.14 2.40 0.01 0.00 0.36 0.00 0.00 54.97 57.89 1r5i s GLU 137 Cb -0.15 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 1r5i s GLU 137 CO 0.08 -0.38 -0.09 -1.21 -0.54 0.00 0.00 175.26 173.12 1r5i s GLU 138 N -1.73 2.80 0.00 4.30 0.41 0.24 -4.86 118.70 119.87 1r5i s GLU 138 Ca 0.52 -0.59 0.00 0.00 -0.41 0.00 0.00 54.97 54.50 1r5i s GLU 138 Cb -0.43 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.35 1r5i s GLU 138 CO 0.56 0.60 0.00 1.63 -0.49 0.00 0.00 175.26 177.56 1r5i n LYS 139 N 2.41 0.00 0.30 1.61 5.02 -1.26 -4.20 118.16 122.04 1r5i n LYS 139 Ca -0.18 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.30 1r5i n LYS 139 Cb 0.53 -0.21 0.97 0.00 -0.02 0.00 0.00 35.03 36.30 1r5i n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r5i h ALA 140 N 0.00 1.36 -0.49 7.82 0.00 -2.01 -2.26 119.26 123.68 1r5i h ALA 140 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r5i h ALA 140 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1r5i h ALA 140 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.45 1r5i n GLY 141 N -1.23 2.79 3.81 0.00 0.00 -1.26 -5.00 105.19 104.30 1r5i n GLY 141 Ca -0.01 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 1r5i n GLY 141 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r5i s VAL 142 N -1.23 4.87 0.01 1.61 -7.23 -0.85 -0.21 120.40 117.37 1r5i s VAL 142 Ca 0.35 1.07 0.02 0.00 -1.81 0.00 0.00 61.98 61.61 1r5i s VAL 142 Cb 0.20 -3.83 -0.01 0.00 0.56 0.00 0.00 36.38 33.30 1r5i s VAL 142 CO 0.21 0.55 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.80 1r5i s VAL 143 N -0.96 0.48 0.17 1.32 1.01 0.03 -4.98 120.40 117.47 1r5i s VAL 143 Ca 0.27 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1r5i s VAL 143 Cb -0.18 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1r5i s VAL 143 CO 0.16 -0.06 0.02 -0.55 0.00 0.00 0.00 175.10 174.68 1r5i s SER 144 N -0.66 0.98 0.12 3.32 0.15 -1.26 0.57 113.70 116.91 1r5i s SER 144 Ca -0.02 -1.19 0.25 0.00 0.70 0.00 0.00 55.95 55.69 1r5i s SER 144 Cb -0.05 0.17 0.61 0.00 -1.71 0.00 0.00 66.02 65.04 1r5i s SER 144 CO 0.00 -0.62 1.54 0.35 1.20 0.00 0.00 173.24 175.71 1r5i n THR 145 N -0.21 0.33 0.00 6.45 -2.24 -0.57 -5.01 114.28 113.03 1r5i n THR 145 Ca -0.06 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1r5i n THR 145 Cb 0.63 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1r5i n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r5i n GLY 146 N 1.37 -0.80 3.74 3.38 0.00 -1.26 -4.87 105.19 106.75 1r5i n GLY 146 Ca 0.05 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 1r5i n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r5i s LEU 147 N -2.01 4.49 -0.13 0.99 2.96 -1.26 -4.50 118.68 119.23 1r5i s LEU 147 Ca 0.00 2.21 0.01 0.00 -0.22 0.00 0.00 54.13 56.14 1r5i s LEU 147 Cb 0.00 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.09 1r5i s LEU 147 CO 0.00 -0.26 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.98 1r5i s ILE 148 N -0.48 1.67 -0.37 6.68 1.01 -0.13 -5.00 121.20 124.58 1r5i s ILE 148 Ca 0.49 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 1r5i s ILE 148 Cb -0.32 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1r5i s ILE 148 CO 0.38 0.47 0.49 -1.58 0.00 0.00 0.00 174.94 174.70 1r5i s GLN 149 N 1.11 3.51 0.13 2.79 0.74 -1.26 -1.35 119.66 125.33 1r5i s GLN 149 Ca -0.03 -0.30 0.22 0.00 0.05 0.00 0.00 55.36 55.30 1r5i s GLN 149 Cb -0.14 -3.84 0.88 0.00 1.10 0.00 0.00 33.01 31.01 1r5i s GLN 149 CO -0.05 -0.68 1.68 0.09 -0.55 0.00 0.00 175.29 175.78 1r5i n ASN 150 N 5.71 0.38 0.00 6.67 3.02 -0.73 -4.91 115.26 125.40 1r5i n ASN 150 Ca -0.06 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1r5i n ASN 150 Cb 0.49 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1r5i n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r5i n GLY 151 N 0.47 0.73 1.78 7.41 0.00 -1.26 -4.88 105.19 109.44 1r5i n GLY 151 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1r5i n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1r5i n ASP 152 N 0.00 2.64 -3.28 1.61 3.85 -1.26 -4.96 116.55 115.15 1r5i n ASP 152 Ca 0.00 -3.07 -0.22 0.00 -0.71 0.00 0.00 54.79 50.79 1r5i n ASP 152 Cb 0.00 -0.41 0.07 0.00 -1.35 0.00 0.00 41.12 39.42 1r5i n ASP 152 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1r5i n TRP 153 N -0.57 -2.54 -3.76 2.11 7.02 -1.26 -5.01 117.44 113.42 1r5i n TRP 153 Ca 0.22 0.86 -0.13 0.00 -1.02 0.00 0.00 57.50 57.44 1r5i n TRP 153 Cb 0.89 -4.68 -0.08 0.00 -2.42 0.00 0.00 31.31 25.02 1r5i n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1r5i s THR 154 N -3.27 0.06 0.39 -0.99 -4.23 -1.26 -4.76 115.64 101.59 1r5i s THR 154 Ca 0.50 -0.53 0.05 0.00 -1.18 0.00 0.00 61.69 60.53 1r5i s THR 154 Cb -0.22 -0.69 -0.07 0.00 1.34 0.00 0.00 72.50 72.86 1r5i s THR 154 CO 0.62 -0.29 0.03 -0.36 -0.54 0.00 0.00 174.62 174.08 1r5i s PHE 155 N -1.63 2.26 0.22 3.99 0.40 0.67 -1.78 117.98 122.11 1r5i s PHE 155 Ca -0.11 -0.81 -0.19 0.00 -0.60 0.00 0.00 56.93 55.21 1r5i s PHE 155 Cb -0.04 -1.59 0.03 0.00 0.51 0.00 0.00 43.02 41.93 1r5i s PHE 155 CO 0.02 0.27 0.60 1.14 0.70 0.00 0.00 175.22 177.94 1r5i s GLN 156 N -3.78 1.50 -0.20 0.44 -2.07 -0.46 -1.62 119.66 113.47 1r5i s GLN 156 Ca 0.33 -0.85 -0.30 0.00 -1.82 0.00 0.00 55.36 52.71 1r5i s GLN 156 Cb 0.09 0.56 0.15 0.00 -1.09 0.00 0.00 33.01 32.71 1r5i s GLN 156 CO 0.16 -0.66 1.11 -0.08 -1.32 0.00 0.00 175.29 174.50 1r5i s THR 157 N -3.87 0.00 -0.13 3.63 -1.32 -0.38 -0.96 115.64 112.60 1r5i s THR 157 Ca 0.09 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.60 1r5i s THR 157 Cb -0.03 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.97 1r5i s THR 157 CO -0.01 0.00 -0.22 -0.76 -2.21 0.00 0.00 174.62 171.42 1r5i s LEU 158 N -1.02 2.12 -0.27 9.08 1.43 -1.26 -1.93 118.68 126.83 1r5i s LEU 158 Ca 0.02 -0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1r5i s LEU 158 Cb -0.01 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.81 1r5i s LEU 158 CO -0.02 0.09 -0.06 -0.69 0.23 0.00 0.00 176.35 175.91 1r5i s VAL 159 N 0.74 2.70 0.08 -1.59 1.01 -0.75 -1.52 120.40 121.08 1r5i s VAL 159 Ca -0.09 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 60.59 1r5i s VAL 159 Cb -0.16 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1r5i s VAL 159 CO -0.00 0.03 0.15 -0.04 0.00 0.00 0.00 175.10 175.24 1r5i s MET 160 N 1.24 3.16 -0.19 2.72 -1.94 0.19 -0.98 119.30 123.50 1r5i s MET 160 Ca -0.04 -0.59 0.01 0.00 -1.71 0.00 0.00 55.69 53.36 1r5i s MET 160 Cb -0.19 -2.87 0.03 0.00 2.01 0.00 0.00 34.83 33.81 1r5i s MET 160 CO -0.04 0.58 -0.19 -1.17 -0.01 0.00 0.00 175.02 174.19 1r5i s LEU 161 N -2.55 2.28 -1.02 -0.03 2.96 0.01 -0.79 118.68 119.54 1r5i s LEU 161 Ca 0.32 -0.74 -0.23 0.00 -0.22 0.00 0.00 54.13 53.26 1r5i s LEU 161 Cb -0.12 -1.48 0.05 0.00 0.50 0.00 0.00 46.19 45.14 1r5i s LEU 161 CO 0.25 -0.03 1.44 -1.61 -1.32 0.00 0.00 176.35 175.08 1r5i s GLU 162 N 1.27 3.59 -0.21 1.98 2.02 0.70 -1.67 118.70 126.38 1r5i s GLU 162 Ca 0.03 -1.15 -0.11 0.00 0.02 0.00 0.00 54.97 53.76 1r5i s GLU 162 Cb -0.14 -5.34 0.07 0.00 0.10 0.00 0.00 34.13 28.82 1r5i s GLU 162 CO -0.12 -2.19 0.51 0.95 0.02 0.00 0.00 175.26 174.43 1r5i s THR 163 N 4.88 -0.15 -0.57 3.63 -4.23 -1.04 -4.82 115.64 113.34 1r5i s THR 163 Ca 0.46 0.07 -0.26 0.00 -1.18 0.00 0.00 61.69 60.77 1r5i s THR 163 Cb -0.00 -0.76 0.03 0.00 1.34 0.00 0.00 72.50 73.12 1r5i s THR 163 CO -0.10 0.03 1.08 -0.69 -0.54 0.00 0.00 174.62 174.40 1r5i s VAL 164 N 1.71 4.18 0.32 2.29 1.01 -1.23 -4.45 120.40 124.23 1r5i s VAL 164 Ca -0.09 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 62.23 1r5i s VAL 164 Cb -0.08 -4.64 -0.11 0.00 0.00 0.00 0.00 36.38 31.55 1r5i s VAL 164 CO -0.15 -1.24 1.45 -2.16 0.00 0.00 0.00 175.10 173.00 1r5i s PRO 165 N 4.51 4.21 0.07 2.72 0.04 -1.26 -5.03 135.00 140.26 1r5i s PRO 165 Ca 0.37 2.42 0.09 0.00 0.04 0.00 0.00 61.00 63.92 1r5i s PRO 165 Cb -0.10 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 1r5i s PRO 165 CO 0.23 -0.44 -0.23 -0.98 0.04 0.00 0.00 177.00 175.62 1r5i s ARG 166 N -1.27 1.82 0.16 4.56 1.70 -1.26 -5.05 118.95 119.60 1r5i s ARG 166 Ca 0.56 -1.12 -0.32 0.00 -0.47 0.00 0.00 55.73 54.37 1r5i s ARG 166 Cb -0.44 -2.05 -0.16 0.00 -0.57 0.00 0.00 34.95 31.73 1r5i s ARG 166 CO 0.53 0.51 1.01 0.45 -1.08 0.00 0.00 175.30 176.71 1r5i n SER 167 N 1.42 0.62 0.00 -2.89 2.88 -1.25 -2.10 113.62 112.30 1r5i n SER 167 Ca -0.17 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1r5i n SER 167 Cb 0.52 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 1r5i n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r5i n GLY 168 N 1.85 2.94 3.77 0.46 0.00 -1.26 -5.05 105.19 107.89 1r5i n GLY 168 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1r5i n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r5i s GLU 169 N -0.10 4.34 -0.29 1.61 2.02 -0.89 -4.90 118.70 120.49 1r5i s GLU 169 Ca 0.00 1.77 0.00 0.00 0.02 0.00 0.00 54.97 56.76 1r5i s GLU 169 Cb 0.00 -2.88 0.09 0.00 0.10 0.00 0.00 34.13 31.44 1r5i s GLU 169 CO 0.00 -0.05 0.04 0.54 0.02 0.00 0.00 175.26 175.81 1r5i s VAL 170 N -1.35 1.31 0.46 2.63 0.11 -1.26 -1.30 120.40 120.99 1r5i s VAL 170 Ca 0.52 -1.47 -0.14 0.00 -2.93 0.00 0.00 61.98 57.95 1r5i s VAL 170 Cb -0.30 -1.86 -0.07 0.00 -1.53 0.00 0.00 36.38 32.63 1r5i s VAL 170 CO 0.38 -0.47 0.88 -0.31 -3.33 0.00 0.00 175.10 172.25 1r5i s TYR 171 N 1.43 3.46 -0.02 1.54 2.02 -0.95 -2.06 117.35 122.78 1r5i s TYR 171 Ca 0.05 1.27 -0.00 0.00 -0.37 0.00 0.00 57.07 58.02 1r5i s TYR 171 Cb -0.18 -2.63 0.02 0.00 -0.40 0.00 0.00 41.96 38.78 1r5i s TYR 171 CO -0.15 -0.24 0.03 0.99 -1.57 0.00 0.00 175.55 174.61 1r5i s THR 172 N -2.49 -0.04 -0.32 -0.71 2.01 0.11 -1.42 115.64 112.77 1r5i s THR 172 Ca 0.55 0.15 -0.09 0.00 0.31 0.00 0.00 61.69 62.62 1r5i s THR 172 Cb -0.10 -0.07 0.00 0.00 0.01 0.00 0.00 72.50 72.34 1r5i s THR 172 CO 0.31 0.06 0.14 0.00 -0.69 0.00 0.00 174.62 174.45 1r5i s GLN 174 N 1.58 3.74 -0.15 0.00 0.74 -0.32 -1.96 119.66 123.28 1r5i s GLN 174 Ca 0.04 -0.47 0.01 0.00 0.05 0.00 0.00 55.36 54.98 1r5i s GLN 174 Cb -0.17 -3.03 0.02 0.00 1.10 0.00 0.00 33.01 30.92 1r5i s GLN 174 CO 0.05 0.20 -0.17 0.08 -0.55 0.00 0.00 175.29 174.90 1r5i s VAL 175 N 0.50 1.78 -0.17 1.34 1.01 0.36 -1.16 120.40 124.07 1r5i s VAL 175 Ca -0.01 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1r5i s VAL 175 Cb -0.14 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1r5i s VAL 175 CO 0.02 0.49 -0.05 -1.61 0.00 0.00 0.00 175.10 173.96 1r5i s GLU 176 N 1.30 3.56 -0.06 2.72 2.02 -0.37 -0.83 118.70 127.04 1r5i s GLU 176 Ca 0.03 -0.57 -0.16 0.00 0.02 0.00 0.00 54.97 54.29 1r5i s GLU 176 Cb -0.13 -2.92 0.03 0.00 0.10 0.00 0.00 34.13 31.21 1r5i s GLU 176 CO -0.10 0.11 0.37 -1.58 0.02 0.00 0.00 175.26 174.08 1r5i s HIS 177 N 0.71 -0.31 0.60 1.61 2.46 -1.26 -1.65 115.29 117.45 1r5i s HIS 177 Ca -0.02 0.61 0.24 0.00 0.47 0.00 0.00 55.06 56.36 1r5i s HIS 177 Cb -0.15 0.14 1.32 0.00 -0.13 0.00 0.00 32.58 33.76 1r5i s HIS 177 CO 0.02 -0.35 1.73 -1.35 -2.47 0.00 0.00 174.74 172.32 1r5i h PRO 178 N 4.35 0.00 -0.00 2.88 0.11 -1.93 0.46 132.00 137.86 1r5i h PRO 178 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1r5i h PRO 178 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1r5i h PRO 178 CO 0.35 0.00 -0.14 -1.13 -0.21 0.00 0.00 178.00 176.88 1r5i n SER 179 N -2.75 0.63 -3.96 -2.05 3.41 -1.26 -4.79 113.62 102.84 1r5i n SER 179 Ca -0.02 -0.69 -0.20 0.00 -0.26 0.00 0.00 58.87 57.71 1r5i n SER 179 Cb 0.46 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.23 1r5i n SER 179 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1r5i s VAL 180 N -2.45 0.65 0.18 -3.33 0.11 0.15 -4.82 120.40 110.89 1r5i s VAL 180 Ca 0.29 -0.26 -0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1r5i s VAL 180 Cb 0.20 -0.61 -0.08 0.00 -1.53 0.00 0.00 36.38 34.37 1r5i s VAL 180 CO 0.48 0.22 1.47 0.71 -3.33 0.00 0.00 175.10 174.65 1r5i h THR 181 N 5.62 1.33 -3.60 5.04 1.35 -1.87 -3.41 112.91 117.37 1r5i h THR 181 Ca -0.34 -1.90 -0.65 0.00 -0.55 0.00 0.00 66.41 62.97 1r5i h THR 181 Cb 1.17 1.88 -0.32 0.00 -1.73 0.00 0.00 68.15 69.14 1r5i h THR 181 CO 0.49 0.59 -0.87 -0.55 -0.25 0.00 0.00 175.52 174.92 1r5i s SER 182 N -6.95 2.79 0.16 5.36 0.15 -1.26 -5.08 113.70 108.88 1r5i s SER 182 Ca -0.07 -0.49 -0.32 0.00 0.70 0.00 0.00 55.95 55.77 1r5i s SER 182 Cb 0.11 -1.08 -0.17 0.00 -1.71 0.00 0.00 66.02 63.17 1r5i s SER 182 CO 0.85 0.17 0.92 -0.81 1.20 0.00 0.00 173.24 175.56 1r5i n PRO 183 N 3.36 0.59 -2.97 5.44 -0.04 -1.26 -4.96 135.00 135.15 1r5i n PRO 183 Ca -0.19 0.21 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 1r5i n PRO 183 Cb 0.53 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 1r5i n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1r5i s LEU 184 N 1.24 4.05 -0.04 1.53 1.02 -0.01 -4.86 118.68 121.60 1r5i s LEU 184 Ca 0.72 1.52 -0.07 0.00 0.02 0.00 0.00 54.13 56.31 1r5i s LEU 184 Cb -0.94 -4.25 0.01 0.00 0.02 0.00 0.00 46.19 41.03 1r5i s LEU 184 CO 0.55 -0.25 0.17 0.42 0.02 0.00 0.00 176.35 177.27 1r5i s THR 185 N -2.01 0.04 -0.05 5.49 -4.23 -1.26 -0.48 115.64 113.12 1r5i s THR 185 Ca 0.57 -0.29 0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1r5i s THR 185 Cb -0.11 -0.35 0.02 0.00 1.34 0.00 0.00 72.50 73.41 1r5i s THR 185 CO 0.16 -0.16 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.34 1r5i s VAL 186 N -0.54 0.61 0.27 2.29 1.01 -0.83 -4.97 120.40 118.23 1r5i s VAL 186 Ca -0.06 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1r5i s VAL 186 Cb -0.04 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1r5i s VAL 186 CO 0.01 0.25 0.32 -1.61 0.00 0.00 0.00 175.10 174.07 1r5i s GLU 187 N 1.08 3.16 -0.22 2.72 2.02 -1.26 -1.10 118.70 125.11 1r5i s GLU 187 Ca -0.08 -0.94 -0.04 0.00 0.02 0.00 0.00 54.97 53.93 1r5i s GLU 187 Cb -0.14 -2.74 0.09 0.00 0.10 0.00 0.00 34.13 31.44 1r5i s GLU 187 CO -0.01 0.34 0.19 -0.46 0.02 0.00 0.00 175.26 175.34 1r5i s TRP 188 N -2.09 -0.12 -0.11 1.61 -0.11 -0.51 -4.96 118.94 112.65 1r5i s TRP 188 Ca 0.36 -0.07 -0.30 0.00 1.22 0.00 0.00 56.10 57.31 1r5i s TRP 188 Cb -0.08 -0.51 -0.02 0.00 -1.50 0.00 0.00 33.47 31.36 1r5i s TRP 188 CO 0.28 -0.64 1.17 1.03 -4.62 0.00 0.00 176.95 174.16 1r5i s ARG 189 N 2.26 4.32 0.00 5.86 1.81 -1.26 -2.23 118.95 129.71 1r5i s ARG 189 Ca 0.06 1.59 0.07 0.00 -1.72 0.00 0.00 55.73 55.73 1r5i s ARG 189 Cb -0.16 -3.62 0.39 0.00 -0.45 0.00 0.00 34.95 31.12 1r5i s ARG 189 CO -0.17 -0.52 0.86 0.00 -0.68 0.00 0.00 175.30 174.79