#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 5.94 0.00 1.61 3.68 -1.26 -4.91 116.67 121.73 1r5i s ASP 2 Ca 0.00 -1.70 0.27 0.00 2.13 0.00 0.00 52.55 53.25 1r5i s ASP 2 Cb 0.00 -2.11 0.86 0.00 -1.45 0.00 0.00 42.92 40.23 1r5i s ASP 2 CO 0.00 -0.72 1.64 1.07 0.13 0.00 0.00 175.17 177.29 1r5i n THR 3 N 5.08 0.00 -1.66 1.71 5.66 -1.26 -4.96 114.28 118.85 1r5i n THR 3 Ca -0.11 -0.08 -0.45 0.00 -3.05 0.00 0.00 64.05 60.36 1r5i n THR 3 Cb 0.41 0.18 -0.02 0.00 -1.55 0.00 0.00 70.33 69.35 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 -0.94 1.92 -2.08 1.09 1.74 -1.26 -4.95 116.66 112.19 1r5i n ARG 4 Ca 0.11 0.68 -0.36 0.00 -0.77 0.00 0.00 57.85 57.51 1r5i n ARG 4 Cb 0.33 -2.29 0.02 0.00 -1.02 0.00 0.00 32.46 29.49 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 -0.71 3.23 0.11 5.56 0.04 -1.26 -5.04 135.00 136.94 1r5i s PRO 5 Ca 0.66 1.84 0.08 0.00 0.04 0.00 0.00 61.00 63.62 1r5i s PRO 5 Cb -0.66 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 1r5i s PRO 5 CO 0.52 -1.00 -0.15 1.03 0.04 0.00 0.00 177.00 177.45 1r5i s ARG 6 N -3.12 1.92 -0.11 4.56 1.81 -1.26 -5.12 118.95 117.63 1r5i s ARG 6 Ca 0.73 -1.12 0.01 0.00 -1.72 0.00 0.00 55.73 53.63 1r5i s ARG 6 Cb -0.30 -2.19 0.02 0.00 -0.45 0.00 0.00 34.95 32.03 1r5i s ARG 6 CO 0.34 0.49 -0.12 -0.06 -0.68 0.00 0.00 175.30 175.27 1r5i s PHE 7 N -1.18 1.75 -0.04 -0.53 0.08 -1.26 -5.08 117.98 111.72 1r5i s PHE 7 Ca 0.19 -0.83 0.06 0.00 0.12 0.00 0.00 56.93 56.47 1r5i s PHE 7 Cb -0.11 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 41.00 1r5i s PHE 7 CO 0.12 -0.47 -0.20 -1.17 -0.10 0.00 0.00 175.22 173.39 1r5i s LEU 8 N 1.20 2.38 -0.11 -0.37 2.96 -1.26 -5.00 118.68 118.49 1r5i s LEU 8 Ca -0.03 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1r5i s LEU 8 Cb -0.14 -1.44 0.03 0.00 0.50 0.00 0.00 46.19 45.13 1r5i s LEU 8 CO -0.04 0.33 -0.06 0.86 -1.32 0.00 0.00 176.35 176.13 1r5i s TRP 9 N -0.65 1.31 0.09 5.38 -0.11 -1.26 0.91 118.94 124.61 1r5i s TRP 9 Ca 0.10 -0.63 0.10 0.00 1.22 0.00 0.00 56.10 56.89 1r5i s TRP 9 Cb -0.10 -1.14 -0.03 0.00 -1.50 0.00 0.00 33.47 30.69 1r5i s TRP 9 CO -0.00 -0.48 -0.27 -0.65 -4.62 0.00 0.00 176.95 170.93 1r5i s GLN 10 N 1.77 1.58 -0.02 5.86 -0.21 0.30 -4.99 119.66 123.94 1r5i s GLN 10 Ca 0.05 -1.24 0.02 0.00 0.02 0.00 0.00 55.36 54.20 1r5i s GLN 10 Cb -0.13 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 31.95 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 1.79 -0.01 2.90 2.96 -1.26 -0.14 118.68 123.22 1r5i s LEU 11 Ca 0.13 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1r5i s LEU 11 Cb -0.10 -0.43 0.01 0.00 0.50 0.00 0.00 46.19 46.17 1r5i s LEU 11 CO 0.04 0.05 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.56 1r5i s LYS 12 N 0.19 0.23 -0.26 1.98 1.02 -0.09 -4.99 119.74 117.82 1r5i s LYS 12 Ca -0.02 -0.04 0.03 0.00 0.02 0.00 0.00 55.97 55.95 1r5i s LYS 12 Cb -0.07 -0.28 0.06 0.00 -0.52 0.00 0.00 37.83 37.02 1r5i s LYS 12 CO 0.00 0.00 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.27 1r5i s PHE 13 N 0.24 3.25 -0.22 3.18 0.40 -1.26 -0.21 117.98 123.36 1r5i s PHE 13 Ca -0.02 -2.26 -0.08 0.00 -0.60 0.00 0.00 56.93 53.97 1r5i s PHE 13 Cb -0.04 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 1r5i s PHE 13 CO -0.01 -0.87 0.08 -1.21 0.70 0.00 0.00 175.22 173.91 1r5i s GLU 14 N 1.12 3.86 -0.31 0.44 2.02 0.15 -4.95 118.70 121.02 1r5i s GLU 14 Ca -0.08 -0.39 -0.05 0.00 0.02 0.00 0.00 54.97 54.47 1r5i s GLU 14 Cb -0.20 -3.30 0.03 0.00 0.10 0.00 0.00 34.13 30.77 1r5i s GLU 14 CO -0.05 0.06 0.06 0.00 0.02 0.00 0.00 175.26 175.35 1r5i s HIS 16 N 1.38 3.23 -0.11 0.00 3.76 0.25 -4.98 115.29 118.83 1r5i s HIS 16 Ca -0.01 0.09 -0.02 0.00 -0.15 0.00 0.00 55.06 54.97 1r5i s HIS 16 Cb -0.19 -2.32 -0.03 0.00 1.11 0.00 0.00 32.58 31.15 1r5i s HIS 16 CO 0.01 -0.10 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.70 1r5i s PHE 17 N 1.48 3.02 -0.07 1.40 0.08 -1.26 -1.41 117.98 121.22 1r5i s PHE 17 Ca 0.07 -0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.08 1r5i s PHE 17 Cb -0.15 -1.83 0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1r5i s PHE 17 CO 0.08 0.22 -0.16 -0.06 -0.10 0.00 0.00 175.22 175.20 1r5i s PHE 18 N -0.36 1.75 -0.68 0.36 0.40 0.06 -4.85 117.98 114.66 1r5i s PHE 18 Ca 0.06 -0.63 -0.09 0.00 -0.60 0.00 0.00 56.93 55.67 1r5i s PHE 18 Cb -0.12 -1.22 0.01 0.00 0.51 0.00 0.00 43.02 42.20 1r5i s PHE 18 CO 0.02 -0.28 0.64 0.09 0.70 0.00 0.00 175.22 176.40 1r5i n ASN 19 N 3.57 -6.25 0.00 1.36 5.03 -1.26 -2.43 115.26 115.27 1r5i n ASN 19 Ca -0.21 -0.36 0.00 0.00 0.87 0.00 0.00 54.58 54.89 1r5i n ASN 19 Cb 0.52 -3.23 0.00 0.00 -1.02 0.00 0.00 39.78 36.05 1r5i n ASN 19 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r5i n GLY 20 N -1.23 3.23 0.32 7.41 0.00 -1.26 -2.04 105.19 111.62 1r5i n GLY 20 Ca -0.13 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 1.56 0.36 2.61 -2.24 -1.26 -4.80 114.28 110.51 1r5i n THR 21 Ca 0.00 -2.05 -0.19 0.00 -2.27 0.00 0.00 64.05 59.54 1r5i n THR 21 Cb 0.00 -0.06 -0.10 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 0.26 -1.05 -5.28 -0.78 4.81 -1.34 -3.41 114.58 107.78 1r5i h GLU 22 Ca -0.01 0.07 -0.65 0.00 -0.13 0.00 0.00 59.36 58.64 1r5i h GLU 22 Cb 1.11 0.24 -0.24 0.00 0.63 0.00 0.00 28.75 30.49 1r5i h GLU 22 CO 0.01 -0.70 -0.71 0.50 -0.73 0.00 0.00 179.01 177.37 1r5i s ARG 23 N -5.92 3.53 -0.02 1.92 3.00 -1.02 -5.02 118.95 115.43 1r5i s ARG 23 Ca -0.18 -0.60 0.02 0.00 -1.00 0.00 0.00 55.73 53.97 1r5i s ARG 23 Cb 0.04 -2.81 0.00 0.00 0.00 0.00 0.00 34.95 32.18 1r5i s ARG 23 CO 0.61 0.19 -0.07 0.08 0.00 0.00 0.00 175.30 176.11 1r5i s VAL 24 N 0.45 0.62 -0.03 7.11 1.01 -1.26 -0.76 120.40 127.54 1r5i s VAL 24 Ca -0.06 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1r5i s VAL 24 Cb -0.15 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1r5i s VAL 24 CO 0.04 0.19 -0.11 -0.60 0.00 0.00 0.00 175.10 174.62 1r5i s ARG 25 N 0.07 1.23 -0.16 2.72 3.52 -0.50 -4.99 118.95 120.82 1r5i s ARG 25 Ca -0.01 -0.38 -0.03 0.00 -0.13 0.00 0.00 55.73 55.18 1r5i s ARG 25 Cb -0.06 -1.11 -0.02 0.00 -1.56 0.00 0.00 34.95 32.20 1r5i s ARG 25 CO -0.00 0.13 -0.05 -1.17 -0.81 0.00 0.00 175.30 173.40 1r5i s LEU 26 N 0.23 3.09 -0.21 -0.88 2.96 -1.26 -0.58 118.68 122.02 1r5i s LEU 26 Ca -0.05 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1r5i s LEU 26 Cb -0.10 -1.75 0.05 0.00 0.50 0.00 0.00 46.19 44.89 1r5i s LEU 26 CO 0.01 0.13 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.85 1r5i s LEU 27 N 0.59 2.45 -0.21 -0.68 1.98 0.63 -1.29 118.68 122.16 1r5i s LEU 27 Ca -0.04 -0.99 -0.06 0.00 -2.89 0.00 0.00 54.13 50.16 1r5i s LEU 27 Cb -0.15 -1.26 -0.03 0.00 0.66 0.00 0.00 46.19 45.41 1r5i s LEU 27 CO 0.03 -0.16 0.03 -0.70 -1.89 0.00 0.00 176.35 173.65 1r5i s GLU 28 N 1.36 3.69 0.02 1.98 2.12 -0.07 0.34 118.70 128.15 1r5i s GLU 28 Ca -0.03 -0.48 0.01 0.00 0.36 0.00 0.00 54.97 54.83 1r5i s GLU 28 Cb -0.17 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 1r5i s GLU 28 CO -0.08 0.01 -0.04 -0.98 -0.54 0.00 0.00 175.26 173.63 1r5i s ARG 29 N 1.04 0.35 -0.21 4.30 1.70 0.71 -0.59 118.95 126.24 1r5i s ARG 29 Ca 0.03 -0.46 -0.05 0.00 -0.47 0.00 0.00 55.73 54.78 1r5i s ARG 29 Cb -0.14 -0.15 -0.02 0.00 -0.57 0.00 0.00 34.95 34.06 1r5i s ARG 29 CO 0.02 0.03 0.01 0.00 -1.08 0.00 0.00 175.30 174.28 1r5i s ILE 31 N 1.13 1.87 -0.26 0.00 1.09 0.80 -0.30 121.20 125.53 1r5i s ILE 31 Ca 0.03 -1.02 -0.15 0.00 -1.10 0.00 0.00 60.65 58.41 1r5i s ILE 31 Cb -0.14 -1.82 -0.04 0.00 -1.06 0.00 0.00 42.46 39.40 1r5i s ILE 31 CO 0.02 0.32 0.38 -0.47 -0.10 0.00 0.00 174.94 175.09 1r5i s TYR 32 N 1.32 3.26 0.00 3.97 5.04 -0.23 -0.54 117.35 130.17 1r5i s TYR 32 Ca 0.01 0.44 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1r5i s TYR 32 Cb -0.15 -2.58 0.00 0.00 0.35 0.00 0.00 41.96 39.58 1r5i s TYR 32 CO -0.10 -0.21 0.00 0.09 -1.34 0.00 0.00 175.55 173.99 1r5i n ASN 33 N 5.27 0.00 -0.16 4.32 3.02 0.26 -1.63 115.26 126.35 1r5i n ASN 33 Ca -0.08 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.53 1r5i n ASN 33 Cb 0.51 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.77 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 1.13 -4.18 3.52 7.27 -1.26 -4.83 117.38 119.02 1r5i n GLN 34 Ca 0.00 -2.05 -0.29 0.00 0.07 0.00 0.00 57.00 54.73 1r5i n GLN 34 Cb 0.00 -1.19 -0.17 0.00 2.41 0.00 0.00 30.24 31.29 1r5i n GLN 34 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1r5i s GLU 35 N -1.96 2.07 0.15 3.69 2.12 -0.64 -5.11 118.70 119.03 1r5i s GLU 35 Ca 0.21 -0.49 -0.31 0.00 0.36 0.00 0.00 54.97 54.74 1r5i s GLU 35 Cb 0.18 -1.88 -0.09 0.00 0.26 0.00 0.00 34.13 32.60 1r5i s GLU 35 CO 0.02 -0.17 1.41 -2.00 -0.54 0.00 0.00 175.26 173.98 1r5i s GLU 36 N 1.31 4.31 -0.17 4.30 2.12 -1.26 -1.06 118.70 128.25 1r5i s GLU 36 Ca -0.00 2.14 -0.02 0.00 0.36 0.00 0.00 54.97 57.45 1r5i s GLU 36 Cb -0.14 -3.21 -0.10 0.00 0.26 0.00 0.00 34.13 30.95 1r5i s GLU 36 CO -0.06 -0.43 -0.17 -1.13 -0.54 0.00 0.00 175.26 172.93 1r5i n SER 37 N 3.53 2.29 -4.14 -1.70 3.41 0.59 -4.26 113.62 113.34 1r5i n SER 37 Ca 0.10 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.60 1r5i n SER 37 Cb 0.41 -0.33 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.32 0.66 0.02 -3.33 1.01 -1.24 0.27 120.40 115.47 1r5i s VAL 38 Ca -0.22 -1.65 -0.23 0.00 0.00 0.00 0.00 61.98 59.87 1r5i s VAL 38 Cb 0.07 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 35.17 1r5i s VAL 38 CO 0.35 -0.70 0.53 0.00 0.00 0.00 0.00 175.10 175.28 1r5i s ARG 39 N -3.07 1.00 -0.15 2.72 1.70 -0.88 -1.59 118.95 118.68 1r5i s ARG 39 Ca 0.05 -0.13 0.02 0.00 -0.47 0.00 0.00 55.73 55.19 1r5i s ARG 39 Cb 0.00 0.46 0.02 0.00 -0.57 0.00 0.00 34.95 34.86 1r5i s ARG 39 CO -0.03 -0.34 -0.19 0.12 -1.08 0.00 0.00 175.30 173.77 1r5i s PHE 40 N -2.08 2.55 -0.26 5.89 2.19 0.24 -1.16 117.98 125.35 1r5i s PHE 40 Ca -0.07 -1.37 -0.02 0.00 0.33 0.00 0.00 56.93 55.79 1r5i s PHE 40 Cb -0.01 -1.77 0.03 0.00 -1.31 0.00 0.00 43.02 39.96 1r5i s PHE 40 CO 0.01 -0.66 -0.04 0.34 1.83 0.00 0.00 175.22 176.70 1r5i s ASP 41 N 1.07 4.45 0.62 6.13 -1.08 -1.26 -0.89 116.67 125.71 1r5i s ASP 41 Ca -0.02 -0.88 0.28 0.00 -0.52 0.00 0.00 52.55 51.42 1r5i s ASP 41 Cb -0.14 -1.69 1.43 0.00 -1.46 0.00 0.00 42.92 41.06 1r5i s ASP 41 CO -0.06 -0.14 1.84 0.77 0.52 0.00 0.00 175.17 178.09 1r5i h SER 42 N 8.04 0.00 1.18 -0.34 4.64 -1.58 1.17 113.55 126.67 1r5i h SER 42 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 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 0.57 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.97 1r5i h ASP 43 N 0.00 0.00 0.00 4.97 5.19 -1.94 -3.28 116.42 121.36 1r5i h ASP 43 Ca 0.15 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.20 1r5i h ASP 43 Cb 1.14 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.59 1r5i h ASP 43 CO -0.00 0.00 -2.30 0.52 -3.12 0.00 0.00 179.24 174.34 1r5i n VAL 44 N -2.35 1.29 -0.19 -1.35 0.31 0.39 -5.03 118.33 111.40 1r5i n VAL 44 Ca 0.04 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1r5i n VAL 44 Cb 0.35 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 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 2.05 0.61 3.44 2.92 0.00 -0.30 -5.04 105.19 108.86 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 -0.79 1.29 0.45 1.61 -1.05 -1.26 -4.88 118.70 114.06 1r5i s GLU 46 Ca 0.00 -0.62 -0.24 0.00 -0.15 0.00 0.00 54.97 53.96 1r5i s GLU 46 Cb 0.00 0.55 -0.08 0.00 -0.44 0.00 0.00 34.13 34.17 1r5i s GLU 46 CO 0.00 -0.55 1.26 0.71 0.95 0.00 0.00 175.26 177.63 1r5i s TYR 47 N -3.79 2.76 -0.02 4.83 2.02 -1.26 -4.28 117.35 117.60 1r5i s TYR 47 Ca 0.03 1.45 0.00 0.00 -0.37 0.00 0.00 57.07 58.19 1r5i s TYR 47 Cb -0.01 -3.59 0.02 0.00 -0.40 0.00 0.00 41.96 37.98 1r5i s TYR 47 CO -0.10 -2.02 -0.00 1.03 -1.57 0.00 0.00 175.55 172.89 1r5i s ARG 48 N -2.49 0.23 0.19 -0.62 1.81 -0.31 -4.92 118.95 112.83 1r5i s ARG 48 Ca 0.61 0.05 -0.30 0.00 -1.72 0.00 0.00 55.73 54.38 1r5i s ARG 48 Cb -0.35 -0.38 -0.08 0.00 -0.45 0.00 0.00 34.95 33.69 1r5i s ARG 48 CO 0.44 -0.10 1.14 0.00 -0.68 0.00 0.00 175.30 176.10 1r5i s ALA 49 N 0.77 3.40 -0.14 2.13 0.00 -1.26 -2.06 121.76 124.59 1r5i s ALA 49 Ca -0.07 0.87 0.01 0.00 0.00 0.00 0.00 51.96 52.77 1r5i s ALA 49 Cb -0.11 -3.37 -0.23 0.00 0.00 0.00 0.00 23.12 19.41 1r5i s ALA 49 CO -0.02 -0.27 0.26 0.28 0.00 0.00 0.00 175.76 176.02 1r5i n VAL 50 N 2.30 1.65 -4.32 0.00 0.31 0.14 -4.96 118.33 113.45 1r5i n VAL 50 Ca 0.03 -0.68 -0.17 0.00 -0.01 0.00 0.00 64.34 63.51 1r5i n VAL 50 Cb 0.45 -1.41 -0.10 0.00 -0.91 0.00 0.00 33.84 31.88 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 -2.55 1.10 0.27 2.52 -4.23 -1.08 -5.00 115.64 106.66 1r5i s THR 51 Ca -0.21 -2.05 -0.01 0.00 -1.18 0.00 0.00 61.69 58.25 1r5i s THR 51 Cb 0.07 -2.25 0.25 0.00 1.34 0.00 0.00 72.50 71.91 1r5i s THR 51 CO 0.75 -0.41 1.78 -0.33 -0.54 0.00 0.00 174.62 175.87 1r5i h GLU 52 N 2.52 0.71 0.00 3.99 4.39 -1.93 -1.11 114.58 123.16 1r5i h GLU 52 Ca -0.38 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1r5i h GLU 52 Cb 1.22 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1r5i h GLU 52 CO 0.64 0.47 0.18 -0.07 -1.16 0.00 0.00 179.01 179.08 1r5i h LEU 53 N 0.73 0.00 0.00 1.33 3.38 -1.97 -1.50 115.31 117.29 1r5i h LEU 53 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1r5i h LEU 53 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1r5i h LEU 53 CO -0.33 0.00 -0.75 0.61 0.09 0.00 0.00 178.44 178.06 1r5i n GLY 54 N -1.19 -1.21 0.18 0.83 0.00 -0.42 -4.46 105.19 98.92 1r5i n GLY 54 Ca -0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.91 1.61 3.08 -1.35 -2.17 114.38 114.79 1r5i h ARG 55 Ca 0.00 -0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.21 1r5i h ARG 55 Cb 0.59 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.51 1r5i h ARG 55 CO 0.00 0.10 0.49 -1.35 -1.07 0.00 0.00 179.97 178.14 1r5i h PRO 56 N 0.16 0.63 -0.38 0.04 0.11 -1.79 -1.00 132.00 129.77 1r5i h PRO 56 Ca 0.22 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.14 1r5i h PRO 56 Cb 0.30 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1r5i h PRO 56 CO -0.33 0.42 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.10 1r5i h ASP 57 N 0.65 0.96 -0.16 -2.05 3.32 -1.70 -1.13 116.42 116.31 1r5i h ASP 57 Ca 0.51 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1r5i h ASP 57 Cb 0.78 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1r5i h ASP 57 CO -0.39 1.21 0.05 0.00 -1.72 0.00 0.00 179.24 178.39 1r5i h ALA 58 N 0.78 0.21 -0.52 3.45 0.00 -0.97 0.59 119.26 122.79 1r5i h ALA 58 Ca 0.07 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1r5i h ALA 58 Cb 0.92 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1r5i h ALA 58 CO 0.09 -0.17 0.27 1.49 0.00 0.00 0.00 179.25 180.93 1r5i h GLU 59 N 0.08 0.52 0.18 0.00 4.81 -1.16 0.33 114.58 119.33 1r5i h GLU 59 Ca 0.05 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1r5i h GLU 59 Cb 0.23 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1r5i h GLU 59 CO -0.00 0.34 -0.09 -0.92 -0.73 0.00 0.00 179.01 177.62 1r5i h TYR 60 N 0.53 -0.22 -0.70 0.92 3.20 -1.03 -3.20 116.97 116.48 1r5i h TYR 60 Ca 0.23 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1r5i h TYR 60 Cb 0.12 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1r5i h TYR 60 CO -0.09 0.17 0.31 -1.49 -1.64 0.00 0.00 178.16 175.41 1r5i h TRP 61 N -0.69 1.01 0.00 -3.82 6.55 -0.81 -2.64 115.95 115.54 1r5i h TRP 61 Ca -0.02 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.77 1r5i h TRP 61 Cb 0.49 -0.31 0.00 0.00 -0.86 0.00 0.00 29.16 28.48 1r5i h TRP 61 CO 0.06 0.75 0.00 -0.91 -1.05 0.00 0.00 178.44 177.29 1r5i h ASN 62 N 0.99 0.00 0.03 -3.49 2.35 -1.00 -1.32 115.58 113.15 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 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1r5i h ASN 62 CO -0.03 0.00 -0.01 -1.54 -1.65 0.00 0.00 177.43 174.21 1r5i n SER 63 N -3.05 0.44 -4.36 5.81 3.41 -1.00 -4.55 113.62 110.32 1r5i n SER 63 Ca -0.01 -1.09 -0.46 0.00 -0.26 0.00 0.00 58.87 57.05 1r5i n SER 63 Cb 0.19 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1r5i n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1r5i s GLN 64 N -2.04 3.76 0.21 4.33 1.11 -0.50 -4.93 119.66 121.60 1r5i s GLN 64 Ca 0.44 -2.53 -0.15 0.00 0.01 0.00 0.00 55.36 53.13 1r5i s GLN 64 Cb 0.22 -4.57 0.22 0.00 -1.01 0.00 0.00 33.01 27.87 1r5i s GLN 64 CO 0.37 -1.38 1.61 -0.22 0.01 0.00 0.00 175.29 175.67 1r5i h LYS 65 N 7.67 -0.05 -0.96 2.91 3.11 -1.85 -0.53 116.57 126.87 1r5i h LYS 65 Ca 0.14 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 1r5i h LYS 65 Cb 0.99 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 32.19 1r5i h LYS 65 CO 0.89 -0.03 0.60 0.38 -2.81 0.00 0.00 179.45 178.48 1r5i h ASP 66 N -0.05 1.13 0.35 4.20 2.03 -1.97 -2.53 116.42 119.58 1r5i h ASP 66 Ca 0.30 -0.05 -0.02 0.00 -0.73 0.00 0.00 57.03 56.53 1r5i h ASP 66 Cb 0.51 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1r5i h ASP 66 CO -0.69 0.85 -0.17 0.25 -1.03 0.00 0.00 179.24 178.45 1r5i h LEU 67 N 1.31 -0.40 -1.69 0.15 5.85 -1.47 -2.43 115.31 116.62 1r5i h LEU 67 Ca 0.35 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.08 1r5i h LEU 67 Cb -0.09 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1r5i h LEU 67 CO -0.07 -0.19 0.32 -0.07 -0.34 0.00 0.00 178.44 178.09 1r5i h LEU 68 N -0.58 0.33 -0.65 2.25 3.38 -1.28 -0.40 115.31 118.36 1r5i h LEU 68 Ca -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1r5i h LEU 68 Cb 0.43 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1r5i h LEU 68 CO 0.08 0.21 -0.04 -0.33 0.09 0.00 0.00 178.44 178.45 1r5i h GLU 69 N 0.37 1.01 -0.16 1.13 5.08 -1.24 -0.63 114.58 120.14 1r5i h GLU 69 Ca 0.21 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1r5i h GLU 69 Cb 0.36 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1r5i h GLU 69 CO -0.05 1.02 0.09 0.37 -1.00 0.00 0.00 179.01 179.44 1r5i h GLN 70 N 0.91 0.22 -0.20 2.33 -0.00 -0.62 -2.07 115.11 115.69 1r5i h GLN 70 Ca 0.16 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.78 1r5i h GLN 70 Cb 0.59 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.02 1r5i h GLN 70 CO 0.04 0.20 0.10 0.00 0.00 0.00 0.00 178.83 179.16 1r5i h ARG 71 N 0.17 0.29 -0.08 1.69 2.47 -1.15 0.15 114.38 117.92 1r5i h ARG 71 Ca 0.06 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.76 1r5i h ARG 71 Cb 0.04 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1r5i h ARG 71 CO -0.01 0.31 0.08 0.00 0.56 0.00 0.00 179.97 180.91 1r5i h ARG 72 N 0.20 0.00 0.00 0.04 3.08 -1.00 -1.66 114.38 115.04 1r5i h ARG 72 Ca 0.07 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.85 1r5i h ARG 72 Cb 0.12 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 1r5i h ARG 72 CO -0.01 0.00 -1.66 0.00 -1.07 0.00 0.00 179.97 177.24 1r5i n ALA 73 N -2.41 1.58 -0.55 0.04 0.00 -0.79 -4.20 120.51 114.18 1r5i n ALA 73 Ca -0.01 -0.73 0.45 0.00 0.00 0.00 0.00 53.44 53.15 1r5i n ALA 73 Cb 0.18 -0.87 0.75 0.00 0.00 0.00 0.00 19.45 19.52 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 1.08 3.36 -0.37 0.00 0.00 0.30 0.99 119.26 124.62 1r5i h ALA 74 Ca -0.26 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.75 1r5i h ALA 74 Cb 1.93 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1r5i h ALA 74 CO 0.07 -1.91 0.49 -0.24 0.00 0.00 0.00 179.25 177.66 1r5i h VAL 75 N 0.03 0.27 0.00 0.00 3.04 -1.73 0.27 116.25 118.13 1r5i h VAL 75 Ca 0.84 0.00 -0.27 0.00 -1.01 0.00 0.00 66.70 66.25 1r5i h VAL 75 Cb 3.11 0.59 -0.04 0.00 -2.01 0.00 0.00 31.29 32.94 1r5i h VAL 75 CO -0.15 0.00 -1.93 0.47 -1.01 0.00 0.00 177.57 174.95 1r5i n ASP 76 N -3.50 1.51 0.23 3.17 10.43 0.34 -2.44 116.55 126.28 1r5i n ASP 76 Ca 0.07 0.15 0.15 0.00 2.57 0.00 0.00 54.79 57.72 1r5i n ASP 76 Cb 0.65 -0.44 0.58 0.00 1.84 0.00 0.00 41.12 43.74 1r5i n ASP 76 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 1r5i h THR 77 N -0.48 0.00 0.00 -3.53 1.35 -1.19 -2.96 112.91 106.10 1r5i h THR 77 Ca -0.41 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1r5i h THR 77 Cb 1.41 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1r5i h THR 77 CO -0.22 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.05 1r5i n TYR 78 N -2.84 0.00 0.16 4.73 9.36 0.91 -4.62 117.16 124.87 1r5i n TYR 78 Ca 0.02 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.12 1r5i n TYR 78 Cb 0.31 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.96 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 -0.62 1.07 0.35 0.00 9.65 -1.61 -1.93 114.38 121.30 1r5i h ARG 80 Ca -0.03 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.77 1r5i h ARG 80 Cb 0.56 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1r5i h ARG 80 CO -0.09 0.71 -0.17 1.25 2.80 0.00 0.00 179.97 184.48 1r5i h HIS 81 N 1.10 -0.43 -0.08 2.20 2.76 -1.32 -2.86 115.15 116.53 1r5i h HIS 81 Ca 0.38 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.49 1r5i h HIS 81 Cb 0.10 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 1r5i h HIS 81 CO -0.00 -0.17 -0.19 -0.91 -1.30 0.00 0.00 177.93 175.37 1r5i h ASN 82 N -0.65 0.12 -0.59 3.26 2.35 -0.73 -1.26 115.58 118.08 1r5i h ASN 82 Ca -0.05 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1r5i h ASN 82 Cb 0.46 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 1r5i h ASN 82 CO 0.08 0.32 0.38 0.22 -1.65 0.00 0.00 177.43 176.78 1r5i h TYR 83 N 0.12 0.73 0.16 1.19 5.03 -1.31 -2.45 116.97 120.43 1r5i h TYR 83 Ca 0.02 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 1r5i h TYR 83 Cb 0.40 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.44 1r5i h TYR 83 CO 0.00 0.45 -0.08 0.78 -1.32 0.00 0.00 178.16 178.00 1r5i h GLY 84 N 0.78 -0.22 -0.94 1.82 0.00 -1.16 -0.85 103.07 102.50 1r5i h GLY 84 Ca 0.22 0.08 0.41 0.00 0.00 0.00 0.00 47.33 48.04 1r5i h GLY 84 CO -0.06 -0.08 0.91 -2.08 0.00 0.00 0.00 176.54 175.24 1r5i h VAL 85 N -0.49 0.23 -0.01 4.60 2.07 -0.97 -2.09 116.25 119.59 1r5i h VAL 85 Ca -0.02 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1r5i h VAL 85 Cb 0.38 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1r5i h VAL 85 CO 0.04 0.02 -0.04 0.61 0.02 0.00 0.00 177.57 178.22 1r5i n GLY 86 N -1.63 -0.59 0.33 2.17 0.00 -0.95 -4.76 105.19 99.76 1r5i n GLY 86 Ca 0.34 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 0.06 -0.28 1.61 4.81 -0.42 -2.09 114.58 119.59 1r5i h GLU 87 Ca 0.00 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1r5i h GLU 87 Cb 0.30 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.60 1r5i h GLU 87 CO 0.00 0.04 -0.48 0.77 -0.73 0.00 0.00 179.01 178.61 1r5i h SER 88 N 0.06 -1.57 -0.05 1.04 0.02 -1.86 -1.35 113.55 109.85 1r5i h SER 88 Ca 0.59 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.74 1r5i h SER 88 Cb 1.22 0.63 0.00 0.00 0.14 0.00 0.00 62.40 64.40 1r5i h SER 88 CO -0.83 -0.37 0.00 2.22 -1.14 0.00 0.00 176.83 176.72 1r5i n PHE 89 N -4.99 0.05 0.00 3.45 -1.74 -0.92 -3.28 117.46 110.02 1r5i n PHE 89 Ca -0.04 -0.02 0.00 0.00 -0.56 0.00 0.00 57.45 56.83 1r5i n PHE 89 Cb 0.30 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.30 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 0.11 0.00 -0.25 1.97 -2.24 -0.83 -4.18 114.28 108.85 1r5i n THR 90 Ca 0.19 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 62.20 1r5i n THR 90 Cb 0.33 -0.45 0.57 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.60 0.00 2.28 2.07 -1.69 -1.51 116.25 118.00 1r5i h VAL 91 Ca 0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1r5i h VAL 91 Cb 0.00 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1r5i h VAL 91 CO 0.00 0.05 -1.26 0.00 0.02 0.00 0.00 177.57 176.38 1r5i n GLN 92 N -4.47 0.62 -1.69 1.57 1.13 -0.54 -4.95 117.38 109.06 1r5i n GLN 92 Ca 0.21 0.06 -0.43 0.00 -1.94 0.00 0.00 57.00 54.90 1r5i n GLN 92 Cb 0.83 -1.76 -0.03 0.00 0.11 0.00 0.00 30.24 29.39 1r5i n GLN 92 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1r5i n ARG 93 N -2.61 2.70 -4.42 -1.09 -4.01 -0.57 -4.98 116.66 101.69 1r5i n ARG 93 Ca -0.02 0.98 -0.22 0.00 -1.04 0.00 0.00 57.85 57.55 1r5i n ARG 93 Cb 0.58 -2.86 -0.16 0.00 -3.04 0.00 0.00 32.46 26.98 1r5i n ARG 93 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 1r5i s ARG 94 N 2.60 1.32 -0.11 2.89 1.81 -1.26 -4.24 118.95 121.96 1r5i s ARG 94 Ca 0.82 -0.29 -0.02 0.00 -1.72 0.00 0.00 55.73 54.53 1r5i s ARG 94 Cb -0.51 -1.15 0.04 0.00 -0.45 0.00 0.00 34.95 32.87 1r5i s ARG 94 CO 0.38 -0.01 0.00 0.08 -0.68 0.00 0.00 175.30 175.08 1r5i s VAL 95 N 0.72 0.47 0.15 3.52 1.01 0.25 -4.95 120.40 121.58 1r5i s VAL 95 Ca -0.13 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 1r5i s VAL 95 Cb -0.15 -0.70 -0.10 0.00 0.00 0.00 0.00 36.38 35.43 1r5i s VAL 95 CO 0.02 0.15 1.61 -0.70 0.00 0.00 0.00 175.10 176.18 1r5i s GLU 96 N 1.92 4.20 0.60 2.72 2.12 -1.26 -1.11 118.70 127.89 1r5i s GLU 96 Ca 0.04 2.39 -0.16 0.00 0.36 0.00 0.00 54.97 57.60 1r5i s GLU 96 Cb -0.13 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 1r5i s GLU 96 CO -0.06 -0.65 1.07 -1.25 -0.54 0.00 0.00 175.26 173.82 1r5i s PRO 97 N 1.45 3.24 -0.25 4.30 0.04 -1.26 -4.56 135.00 137.96 1r5i s PRO 97 Ca 0.72 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.94 1r5i s PRO 97 Cb -0.44 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 1r5i s PRO 97 CO 0.32 -0.88 0.06 0.21 0.04 0.00 0.00 177.00 176.74 1r5i s LYS 98 N -4.03 3.57 -0.13 4.56 2.20 -0.10 -4.92 119.74 120.90 1r5i s LYS 98 Ca 0.65 -0.53 -0.04 0.00 -0.36 0.00 0.00 55.97 55.69 1r5i s LYS 98 Cb -0.17 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 1r5i s LYS 98 CO 0.37 -0.22 0.03 0.08 -0.36 0.00 0.00 175.35 175.25 1r5i s VAL 99 N 1.59 4.51 -0.03 4.02 1.01 -1.26 -1.67 120.40 128.57 1r5i s VAL 99 Ca 0.06 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1r5i s VAL 99 Cb -0.15 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.30 1r5i s VAL 99 CO 0.03 0.55 0.30 0.42 0.00 0.00 0.00 175.10 176.40 1r5i s THR 100 N -0.35 0.05 -0.05 3.92 -4.23 -0.34 -4.99 115.64 109.65 1r5i s THR 100 Ca 0.08 -0.40 0.05 0.00 -1.18 0.00 0.00 61.69 60.23 1r5i s THR 100 Cb -0.12 -0.57 -0.00 0.00 1.34 0.00 0.00 72.50 73.14 1r5i s THR 100 CO 0.02 -0.22 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.99 1r5i s VAL 101 N -1.06 1.62 -0.01 2.29 1.01 -1.26 -0.14 120.40 122.84 1r5i s VAL 101 Ca -0.11 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 1r5i s VAL 101 Cb -0.05 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1r5i s VAL 101 CO 0.03 0.46 0.31 -0.72 0.00 0.00 0.00 175.10 175.18 1r5i s TYR 102 N 0.01 -0.18 0.82 5.22 1.13 -0.89 -4.99 117.35 118.48 1r5i s TYR 102 Ca -0.05 0.25 -0.12 0.00 -1.41 0.00 0.00 57.07 55.75 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 -0.39 1.17 -1.25 -2.51 0.00 0.00 175.55 172.60 1r5i s PRO 103 N -1.37 1.86 -0.08 -3.49 0.04 -1.26 -0.86 135.00 129.84 1r5i s PRO 103 Ca -0.13 0.14 -0.30 0.00 0.04 0.00 0.00 61.00 60.75 1r5i s PRO 103 Cb -0.05 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.66 1r5i s PRO 103 CO 0.04 -1.68 0.90 0.45 0.04 0.00 0.00 177.00 176.76 1r5i s SER 104 N -4.50 -0.41 -0.12 6.66 0.15 -0.67 -4.80 113.70 110.00 1r5i s SER 104 Ca 0.62 0.29 -0.13 0.00 0.70 0.00 0.00 55.95 57.43 1r5i s SER 104 Cb -0.12 0.37 -0.05 0.00 -1.71 0.00 0.00 66.02 64.52 1r5i s SER 104 CO 0.50 -0.50 0.30 -0.54 1.20 0.00 0.00 173.24 174.20 1r5i s LYS 105 N -1.91 4.05 0.50 5.44 1.02 -1.26 -2.54 119.74 125.04 1r5i s LYS 105 Ca -0.01 0.14 0.31 0.00 0.02 0.00 0.00 55.97 56.43 1r5i s LYS 105 Cb -0.01 -3.34 1.17 0.00 -0.52 0.00 0.00 37.83 35.13 1r5i s LYS 105 CO -0.01 0.42 1.90 0.00 -0.92 0.00 0.00 175.35 176.74 1r5i h THR 106 N 4.35 0.00 -2.21 2.17 1.03 -1.93 -3.44 112.91 112.89 1r5i h THR 106 Ca -0.46 -0.56 -0.06 0.00 -0.01 0.00 0.00 66.41 65.32 1r5i h THR 106 Cb 1.19 1.54 -0.22 0.00 -1.07 0.00 0.00 68.15 69.59 1r5i h THR 106 CO 0.70 0.00 0.01 -1.10 -0.01 0.00 0.00 175.52 175.12 1r5i s GLN 107 N -3.56 0.72 0.00 0.00 -0.21 -1.26 -5.03 119.66 110.33 1r5i s GLN 107 Ca 0.02 0.91 0.00 0.00 0.02 0.00 0.00 55.36 56.32 1r5i s GLN 107 Cb 0.08 0.32 0.00 0.00 1.00 0.00 0.00 33.01 34.42 1r5i s GLN 107 CO 0.55 -0.10 0.36 -0.35 -2.12 0.00 0.00 175.29 173.63 1r5i n PRO 108 N 2.96 0.55 0.00 2.91 -0.04 -1.26 -0.74 135.00 139.37 1r5i n PRO 108 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1r5i n PRO 108 Cb 0.56 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.38 0.35 -4.86 1.53 -0.00 -1.26 -5.09 117.00 108.06 1r5i n LEU 109 Ca 0.00 -0.35 -0.23 0.00 -0.00 0.00 0.00 56.01 55.42 1r5i n LEU 109 Cb 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.57 1r5i n LEU 109 CO 0.00 0.09 -0.01 -1.10 -0.00 0.00 0.00 177.39 176.37 1r5i s GLN 110 N -0.13 2.38 0.00 1.47 -1.52 0.08 -5.14 119.66 116.80 1r5i s GLN 110 Ca 0.00 -1.75 0.00 0.00 -1.95 0.00 0.00 55.36 51.66 1r5i s GLN 110 Cb 0.00 -2.22 0.00 0.00 -0.22 0.00 0.00 33.01 30.57 1r5i s GLN 110 CO 0.00 -0.31 0.00 0.72 -0.25 0.00 0.00 175.29 175.45 1r5i n HIS 111 N -1.56 0.00 -3.27 0.91 8.25 -1.26 -4.89 115.22 113.40 1r5i n HIS 111 Ca 0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.21 1r5i n HIS 111 Cb 0.63 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.67 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 3.07 0.00 4.41 8.25 -1.26 -4.73 115.22 124.96 1r5i n HIS 112 Ca 0.00 -4.03 0.00 0.00 -0.26 0.00 0.00 57.72 53.43 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 0.65 0.00 -4.72 0.41 4.13 -1.24 -4.57 115.26 109.92 1r5i n ASN 113 Ca 0.29 0.51 -0.27 0.00 1.68 0.00 0.00 54.58 56.79 1r5i n ASN 113 Cb 0.43 -0.01 -0.07 0.00 -1.54 0.00 0.00 39.78 38.59 1r5i n ASN 113 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1r5i s LEU 114 N -1.94 3.54 -0.15 3.41 2.34 -1.05 -2.44 118.68 122.40 1r5i s LEU 114 Ca 0.00 -0.23 -0.09 0.00 0.06 0.00 0.00 54.13 53.87 1r5i s LEU 114 Cb 0.00 -2.20 -0.05 0.00 -0.56 0.00 0.00 46.19 43.39 1r5i s LEU 114 CO 0.00 0.11 0.17 -0.76 -1.06 0.00 0.00 176.35 174.80 1r5i s LEU 115 N -2.82 4.32 -0.21 1.48 1.43 -0.66 -1.68 118.68 120.55 1r5i s LEU 115 Ca 0.28 0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 53.74 1r5i s LEU 115 Cb -0.10 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1r5i s LEU 115 CO 0.20 0.30 0.04 -0.69 0.23 0.00 0.00 176.35 176.43 1r5i s VAL 116 N -0.40 4.34 -0.39 -1.59 1.01 -0.03 -0.83 120.40 122.51 1r5i s VAL 116 Ca 0.13 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 1r5i s VAL 116 Cb -0.12 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1r5i s VAL 116 CO 0.02 0.41 0.24 0.00 0.00 0.00 0.00 175.10 175.77 1r5i s SER 118 N 1.59 6.44 -0.26 0.00 0.15 0.80 -1.84 113.70 120.57 1r5i s SER 118 Ca 0.03 0.52 0.02 0.00 0.70 0.00 0.00 55.95 57.22 1r5i s SER 118 Cb -0.19 -2.26 0.07 0.00 -1.71 0.00 0.00 66.02 61.93 1r5i s SER 118 CO 0.08 -0.20 -0.04 -0.69 1.20 0.00 0.00 173.24 173.59 1r5i s VAL 119 N 1.91 1.76 0.31 4.45 1.01 -0.85 -1.19 120.40 127.79 1r5i s VAL 119 Ca 0.20 -1.52 0.04 0.00 0.00 0.00 0.00 61.98 60.70 1r5i s VAL 119 Cb -0.15 -2.05 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 1r5i s VAL 119 CO 0.09 -0.21 0.04 -0.94 0.00 0.00 0.00 175.10 174.08 1r5i s SER 120 N 1.26 2.26 -2.06 3.32 1.04 -0.67 -1.33 113.70 117.52 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 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1r5i s SER 120 CO -0.08 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1r5i n GLY 121 N -0.63 1.19 3.98 7.32 0.00 -0.69 -0.92 105.19 115.45 1r5i n GLY 121 Ca -0.03 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.85 3.15 -0.28 1.61 -0.12 -1.02 -4.63 117.98 113.83 1r5i s PHE 122 Ca 0.00 -0.09 -0.19 0.00 -0.05 0.00 0.00 56.93 56.59 1r5i s PHE 122 Cb 0.00 -2.07 0.09 0.00 -0.63 0.00 0.00 43.02 40.41 1r5i s PHE 122 CO 0.00 -0.09 0.76 -0.47 -0.05 0.00 0.00 175.22 175.36 1r5i s TYR 123 N -2.27 -0.89 1.28 3.49 6.14 -0.26 -0.27 117.35 124.57 1r5i s TYR 123 Ca 0.46 1.90 -0.21 0.00 0.64 0.00 0.00 57.07 59.85 1r5i s TYR 123 Cb -0.10 0.48 0.32 0.00 0.42 0.00 0.00 41.96 43.09 1r5i s TYR 123 CO 0.33 -0.44 1.06 -2.14 0.64 0.00 0.00 175.55 175.00 1r5i s PRO 124 N 1.16 -1.85 0.33 4.97 0.02 -1.26 -0.58 135.00 137.79 1r5i s PRO 124 Ca -0.06 -0.07 0.26 0.00 0.02 0.00 0.00 61.00 61.15 1r5i s PRO 124 Cb -0.05 -1.52 0.88 0.00 0.02 0.00 0.00 34.50 33.83 1r5i s PRO 124 CO -0.13 -4.13 1.77 0.78 -0.33 0.00 0.00 177.00 174.96 1r5i h GLY 125 N -2.88 0.00 -5.14 0.52 0.00 -1.99 -3.44 103.07 90.14 1r5i h GLY 125 Ca -0.43 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.35 1r5i h GLY 125 CO 0.30 0.00 1.03 -0.45 0.00 0.00 0.00 176.54 177.42 1r5i s SER 126 N -4.96 6.70 0.15 0.19 0.15 -1.26 -4.96 113.70 109.71 1r5i s SER 126 Ca 0.06 2.24 -0.24 0.00 0.70 0.00 0.00 55.95 58.72 1r5i s SER 126 Cb 0.09 -2.54 0.07 0.00 -1.71 0.00 0.00 66.02 61.93 1r5i s SER 126 CO 0.54 -0.88 0.68 -0.51 1.20 0.00 0.00 173.24 174.27 1r5i s ILE 127 N 3.52 0.00 -0.03 6.45 2.07 -1.26 -4.54 121.20 127.40 1r5i s ILE 127 Ca 0.71 -0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.79 1r5i s ILE 127 Cb -0.34 -1.19 0.03 0.00 0.13 0.00 0.00 42.46 41.09 1r5i s ILE 127 CO 0.29 0.00 -0.01 -1.61 -1.91 0.00 0.00 174.94 171.70 1r5i s GLU 128 N -3.65 0.42 -0.13 3.50 2.02 -0.67 -5.00 118.70 115.18 1r5i s GLU 128 Ca 0.04 0.04 0.01 0.00 0.02 0.00 0.00 54.97 55.07 1r5i s GLU 128 Cb -0.02 -0.57 0.02 0.00 0.10 0.00 0.00 34.13 33.67 1r5i s GLU 128 CO -0.09 -0.13 -0.15 0.08 0.02 0.00 0.00 175.26 175.00 1r5i s VAL 129 N 1.02 1.56 0.10 2.63 1.01 -1.26 -1.07 120.40 124.38 1r5i s VAL 129 Ca -0.10 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1r5i s VAL 129 Cb -0.14 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1r5i s VAL 129 CO -0.01 0.45 -0.22 -0.13 0.00 0.00 0.00 175.10 175.19 1r5i s ARG 130 N 1.25 1.20 -0.16 2.72 0.52 -0.33 -4.98 118.95 119.17 1r5i s ARG 130 Ca -0.01 -1.16 -0.04 0.00 -0.52 0.00 0.00 55.73 54.01 1r5i s ARG 130 Cb -0.14 -1.48 -0.03 0.00 0.52 0.00 0.00 34.95 33.83 1r5i s ARG 130 CO -0.06 0.35 -0.04 -1.58 0.02 0.00 0.00 175.30 173.99 1r5i s TRP 131 N -1.10 3.02 -0.05 -0.53 0.52 -1.26 -1.23 118.94 118.31 1r5i s TRP 131 Ca 0.08 -0.33 0.05 0.00 0.02 0.00 0.00 56.10 55.92 1r5i s TRP 131 Cb -0.10 -1.96 -0.01 0.00 -1.15 0.00 0.00 33.47 30.25 1r5i s TRP 131 CO 0.04 -0.06 -0.22 -0.06 0.02 0.00 0.00 176.95 176.67 1r5i s PHE 132 N 0.42 2.13 -0.47 -1.98 0.40 0.03 0.90 117.98 119.42 1r5i s PHE 132 Ca -0.04 -0.62 -0.02 0.00 -0.60 0.00 0.00 56.93 55.66 1r5i s PHE 132 Cb -0.14 -1.41 0.12 0.00 0.51 0.00 0.00 43.02 42.10 1r5i s PHE 132 CO 0.03 -0.19 0.25 0.50 0.70 0.00 0.00 175.22 176.51 1r5i s ARG 133 N -0.10 2.09 -0.94 0.44 3.52 0.27 -0.22 118.95 124.01 1r5i s ARG 133 Ca -0.03 -2.08 -0.04 0.00 -0.13 0.00 0.00 55.73 53.45 1r5i s ARG 133 Cb -0.13 -3.56 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 1r5i s ARG 133 CO 0.03 -1.09 0.80 0.09 -0.81 0.00 0.00 175.30 174.32 1r5i n ASN 134 N 4.15 -3.76 0.00 -2.12 5.03 -0.93 -2.63 115.26 115.00 1r5i n ASN 134 Ca 0.02 -0.42 0.00 0.00 0.87 0.00 0.00 54.58 55.05 1r5i n ASN 134 Cb 0.40 -3.83 0.00 0.00 -1.02 0.00 0.00 39.78 35.33 1r5i n ASN 134 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r5i n GLY 135 N -1.37 2.73 3.62 7.41 0.00 -1.26 -4.99 105.19 111.33 1r5i n GLY 135 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1r5i n GLY 135 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1r5i s GLN 136 N -0.14 4.04 0.33 1.61 0.74 -1.08 -5.04 119.66 120.13 1r5i s GLN 136 Ca 0.00 0.02 -0.29 0.00 0.05 0.00 0.00 55.36 55.14 1r5i s GLN 136 Cb 0.00 -3.63 -0.10 0.00 1.10 0.00 0.00 33.01 30.38 1r5i s GLN 136 CO 0.00 -0.20 1.38 -2.00 -0.55 0.00 0.00 175.29 173.91 1r5i s GLU 137 N 1.84 4.28 -0.09 1.67 2.12 -1.26 -0.57 118.70 126.68 1r5i s GLU 137 Ca 0.15 2.33 -0.01 0.00 0.36 0.00 0.00 54.97 57.80 1r5i s GLU 137 Cb -0.15 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 1r5i s GLU 137 CO 0.09 -0.32 -0.06 -1.21 -0.54 0.00 0.00 175.26 173.22 1r5i s GLU 138 N -1.65 3.04 0.00 4.30 0.41 0.26 -4.86 118.70 120.20 1r5i s GLU 138 Ca 0.52 -0.54 0.00 0.00 -0.41 0.00 0.00 54.97 54.54 1r5i s GLU 138 Cb -0.42 -2.69 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 1r5i s GLU 138 CO 0.54 0.53 0.00 1.63 -0.49 0.00 0.00 175.26 177.48 1r5i n LYS 139 N 2.62 0.00 0.28 1.61 5.02 -1.26 -4.19 118.16 122.24 1r5i n LYS 139 Ca -0.18 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.29 1r5i n LYS 139 Cb 0.53 -0.31 0.94 0.00 -0.02 0.00 0.00 35.03 36.17 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 1.46 -0.48 7.82 0.00 -2.01 -2.42 119.26 123.63 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 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1r5i h ALA 140 CO 0.00 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.44 1r5i n GLY 141 N -1.26 2.75 3.80 0.00 0.00 -1.26 -5.00 105.19 104.21 1r5i n GLY 141 Ca -0.01 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.14 4.90 0.02 1.61 -7.23 -0.91 -0.29 120.40 117.36 1r5i s VAL 142 Ca 0.34 1.08 0.02 0.00 -1.81 0.00 0.00 61.98 61.61 1r5i s VAL 142 Cb 0.18 -3.84 -0.02 0.00 0.56 0.00 0.00 36.38 33.27 1r5i s VAL 142 CO 0.21 0.51 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.75 1r5i s VAL 143 N -0.75 0.55 0.17 1.32 1.01 -0.05 -4.98 120.40 117.68 1r5i s VAL 143 Ca 0.27 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1r5i s VAL 143 Cb -0.18 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1r5i s VAL 143 CO 0.16 -0.12 0.03 -0.55 0.00 0.00 0.00 175.10 174.62 1r5i s SER 144 N -0.90 0.90 0.23 3.32 0.15 -1.26 0.31 113.70 116.45 1r5i s SER 144 Ca -0.04 -1.22 0.25 0.00 0.70 0.00 0.00 55.95 55.64 1r5i s SER 144 Cb -0.06 0.19 0.55 0.00 -1.71 0.00 0.00 66.02 64.99 1r5i s SER 144 CO 0.00 -0.65 1.58 0.71 1.20 0.00 0.00 173.24 176.09 1r5i h THR 145 N 2.71 0.00 0.00 6.45 1.35 -1.65 -3.49 112.91 118.27 1r5i h THR 145 Ca -0.36 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1r5i h THR 145 Cb 1.21 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1r5i h THR 145 CO 0.61 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1r5i n GLY 146 N 1.27 -0.83 3.74 5.82 0.00 -1.26 -4.87 105.19 109.06 1r5i n GLY 146 Ca 0.04 -1.69 -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 -2.22 4.47 -0.12 0.99 2.96 -1.26 -4.49 118.68 119.01 1r5i s LEU 147 Ca 0.00 2.26 0.02 0.00 -0.22 0.00 0.00 54.13 56.19 1r5i s LEU 147 Cb 0.00 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.09 1r5i s LEU 147 CO 0.00 -0.32 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.92 1r5i s ILE 148 N -0.39 1.58 -0.37 6.68 1.01 -0.09 -5.00 121.20 124.64 1r5i s ILE 148 Ca 0.50 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 60.29 1r5i s ILE 148 Cb -0.33 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1r5i s ILE 148 CO 0.39 0.46 0.47 -1.58 0.00 0.00 0.00 174.94 174.68 1r5i s GLN 149 N 1.02 3.47 0.17 2.79 0.74 -1.26 -1.25 119.66 125.34 1r5i s GLN 149 Ca -0.05 -0.36 0.22 0.00 0.05 0.00 0.00 55.36 55.22 1r5i s GLN 149 Cb -0.15 -3.85 0.89 0.00 1.10 0.00 0.00 33.01 31.00 1r5i s GLN 149 CO -0.03 -0.69 1.68 0.09 -0.55 0.00 0.00 175.29 175.79 1r5i n ASN 150 N 5.68 0.48 0.00 6.67 3.02 -0.76 -4.91 115.26 125.45 1r5i n ASN 150 Ca -0.06 0.60 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 1r5i n ASN 150 Cb 0.49 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.29 0.78 2.39 7.41 0.00 -1.26 -4.88 105.19 109.92 1r5i n GLY 151 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 3.33 -3.20 1.61 3.85 -1.26 -4.97 116.55 115.92 1r5i n ASP 152 Ca 0.00 -2.94 -0.22 0.00 -0.71 0.00 0.00 54.79 50.92 1r5i n ASP 152 Cb 0.00 -0.41 0.06 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 -0.65 -2.41 -3.75 2.11 7.02 -1.26 -5.01 117.44 113.49 1r5i n TRP 153 Ca 0.27 0.79 -0.12 0.00 -1.02 0.00 0.00 57.50 57.42 1r5i n TRP 153 Cb 0.89 -4.62 -0.07 0.00 -2.42 0.00 0.00 31.31 25.09 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 -3.24 0.08 0.35 -0.99 -4.23 -1.26 -4.77 115.64 101.58 1r5i s THR 154 Ca 0.46 -0.67 0.05 0.00 -1.18 0.00 0.00 61.69 60.35 1r5i s THR 154 Cb -0.20 -0.95 -0.07 0.00 1.34 0.00 0.00 72.50 72.62 1r5i s THR 154 CO 0.56 -0.37 0.03 -0.36 -0.54 0.00 0.00 174.62 173.95 1r5i s PHE 155 N -2.59 2.18 0.19 3.99 0.40 0.63 -1.82 117.98 120.95 1r5i s PHE 155 Ca -0.05 -0.83 -0.17 0.00 -0.60 0.00 0.00 56.93 55.28 1r5i s PHE 155 Cb -0.01 -1.46 0.03 0.00 0.51 0.00 0.00 43.02 42.09 1r5i s PHE 155 CO -0.04 0.19 0.52 1.14 0.70 0.00 0.00 175.22 177.73 1r5i s GLN 156 N -3.81 1.38 -0.22 0.44 -2.07 -0.38 -1.70 119.66 113.30 1r5i s GLN 156 Ca 0.36 -0.87 -0.29 0.00 -1.82 0.00 0.00 55.36 52.74 1r5i s GLN 156 Cb 0.09 0.52 0.15 0.00 -1.09 0.00 0.00 33.01 32.67 1r5i s GLN 156 CO 0.16 -0.58 1.13 -0.08 -1.32 0.00 0.00 175.29 174.60 1r5i s THR 157 N -3.88 0.00 -0.13 3.63 -1.32 -0.44 -0.91 115.64 112.59 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 -0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.99 1r5i s THR 157 CO -0.03 0.00 -0.22 -0.76 -2.21 0.00 0.00 174.62 171.41 1r5i s LEU 158 N -0.77 2.15 -0.27 9.08 1.43 -1.26 -2.01 118.68 127.02 1r5i s LEU 158 Ca 0.02 -0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1r5i s LEU 158 Cb -0.02 -1.45 0.05 0.00 0.03 0.00 0.00 46.19 44.80 1r5i s LEU 158 CO -0.03 0.10 -0.06 -0.69 0.23 0.00 0.00 176.35 175.90 1r5i s VAL 159 N 0.70 2.65 0.08 -1.59 1.01 -0.76 -1.48 120.40 121.01 1r5i s VAL 159 Ca -0.10 -1.39 0.02 0.00 0.00 0.00 0.00 61.98 60.51 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 0.01 -0.00 0.17 -0.04 0.00 0.00 0.00 175.10 175.24 1r5i s MET 160 N 1.21 3.24 -0.19 2.72 -1.94 0.15 -1.05 119.30 123.44 1r5i s MET 160 Ca -0.05 -0.56 0.01 0.00 -1.71 0.00 0.00 55.69 53.37 1r5i s MET 160 Cb -0.19 -2.91 0.02 0.00 2.01 0.00 0.00 34.83 33.76 1r5i s MET 160 CO -0.03 0.58 -0.17 -1.17 -0.01 0.00 0.00 175.02 174.21 1r5i s LEU 161 N -2.60 2.36 -1.01 -0.03 2.96 -0.01 -0.87 118.68 119.48 1r5i s LEU 161 Ca 0.33 -0.70 -0.23 0.00 -0.22 0.00 0.00 54.13 53.31 1r5i s LEU 161 Cb -0.12 -1.52 0.05 0.00 0.50 0.00 0.00 46.19 45.10 1r5i s LEU 161 CO 0.26 -0.02 1.46 -1.61 -1.32 0.00 0.00 176.35 175.11 1r5i s GLU 162 N 1.29 3.55 -0.23 1.98 2.02 0.60 -1.66 118.70 126.26 1r5i s GLU 162 Ca 0.04 -1.07 -0.12 0.00 0.02 0.00 0.00 54.97 53.84 1r5i s GLU 162 Cb -0.14 -5.31 0.07 0.00 0.10 0.00 0.00 34.13 28.86 1r5i s GLU 162 CO -0.11 -2.24 0.55 0.95 0.02 0.00 0.00 175.26 174.43 1r5i s THR 163 N 5.13 -0.12 -0.63 3.63 -4.23 -1.02 -4.82 115.64 113.57 1r5i s THR 163 Ca 0.46 0.05 -0.27 0.00 -1.18 0.00 0.00 61.69 60.75 1r5i s THR 163 Cb -0.00 -0.81 0.03 0.00 1.34 0.00 0.00 72.50 73.06 1r5i s THR 163 CO -0.09 0.02 1.19 0.54 -0.54 0.00 0.00 174.62 175.74 1r5i s VAL 164 N 1.69 3.97 0.31 2.29 0.11 -1.23 -4.44 120.40 123.09 1r5i s VAL 164 Ca -0.09 0.63 -0.29 0.00 -2.93 0.00 0.00 61.98 59.30 1r5i s VAL 164 Cb -0.07 -4.77 -0.10 0.00 -1.53 0.00 0.00 36.38 29.90 1r5i s VAL 164 CO -0.16 -1.49 1.41 -2.16 -3.33 0.00 0.00 175.10 169.36 1r5i s PRO 165 N 5.07 4.26 0.08 1.54 0.04 -1.26 -5.03 135.00 139.71 1r5i s PRO 165 Ca 0.38 2.34 0.10 0.00 0.04 0.00 0.00 61.00 63.85 1r5i s PRO 165 Cb -0.09 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 1r5i s PRO 165 CO 0.21 -0.37 -0.25 -0.98 0.04 0.00 0.00 177.00 175.65 1r5i s ARG 166 N -1.22 1.71 0.10 4.56 1.70 -1.26 -5.06 118.95 119.48 1r5i s ARG 166 Ca 0.54 -1.18 -0.35 0.00 -0.47 0.00 0.00 55.73 54.28 1r5i s ARG 166 Cb -0.42 -1.99 -0.18 0.00 -0.57 0.00 0.00 34.95 31.79 1r5i s ARG 166 CO 0.51 0.49 0.96 0.45 -1.08 0.00 0.00 175.30 176.64 1r5i n SER 167 N 1.38 0.11 0.00 -2.89 2.88 -1.25 -2.08 113.62 111.78 1r5i n SER 167 Ca -0.17 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1r5i n SER 167 Cb 0.52 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 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 1.82 2.98 3.77 0.46 0.00 -1.26 -5.05 105.19 107.90 1r5i n GLY 168 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.20 4.45 -0.27 1.61 2.02 -0.88 -4.90 118.70 120.52 1r5i s GLU 169 Ca 0.00 1.67 -0.00 0.00 0.02 0.00 0.00 54.97 56.66 1r5i s GLU 169 Cb 0.00 -2.92 0.08 0.00 0.10 0.00 0.00 34.13 31.38 1r5i s GLU 169 CO 0.00 0.08 0.03 0.54 0.02 0.00 0.00 175.26 175.93 1r5i s VAL 170 N -1.37 1.19 0.48 2.63 0.11 -1.26 -1.20 120.40 120.99 1r5i s VAL 170 Ca 0.50 -1.29 -0.14 0.00 -2.93 0.00 0.00 61.98 58.11 1r5i s VAL 170 Cb -0.28 -1.71 -0.07 0.00 -1.53 0.00 0.00 36.38 32.79 1r5i s VAL 170 CO 0.35 -0.39 0.92 -0.31 -3.33 0.00 0.00 175.10 172.34 1r5i s TYR 171 N 1.50 3.47 -0.04 1.54 2.02 -0.91 -2.18 117.35 122.75 1r5i s TYR 171 Ca 0.03 1.32 -0.02 0.00 -0.37 0.00 0.00 57.07 58.03 1r5i s TYR 171 Cb -0.18 -2.67 0.03 0.00 -0.40 0.00 0.00 41.96 38.73 1r5i s TYR 171 CO -0.14 -0.30 0.08 0.99 -1.57 0.00 0.00 175.55 174.62 1r5i s THR 172 N -2.57 -0.04 -0.32 -0.71 2.01 0.70 -1.46 115.64 113.25 1r5i s THR 172 Ca 0.56 0.15 -0.10 0.00 0.31 0.00 0.00 61.69 62.62 1r5i s THR 172 Cb -0.10 -0.15 -0.00 0.00 0.01 0.00 0.00 72.50 72.26 1r5i s THR 172 CO 0.32 0.06 0.16 0.00 -0.69 0.00 0.00 174.62 174.47 1r5i s GLN 174 N 1.60 3.82 -0.16 0.00 0.74 -0.36 -1.99 119.66 123.30 1r5i s GLN 174 Ca 0.04 -0.42 0.01 0.00 0.05 0.00 0.00 55.36 55.04 1r5i s GLN 174 Cb -0.17 -3.16 0.02 0.00 1.10 0.00 0.00 33.01 30.80 1r5i s GLN 174 CO 0.06 0.16 -0.17 0.08 -0.55 0.00 0.00 175.29 174.87 1r5i s VAL 175 N 0.65 1.80 -0.18 1.34 1.01 0.44 -1.18 120.40 124.28 1r5i s VAL 175 Ca 0.02 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1r5i s VAL 175 Cb -0.14 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1r5i s VAL 175 CO 0.02 0.50 -0.04 -1.61 0.00 0.00 0.00 175.10 173.97 1r5i s GLU 176 N 1.33 3.55 -0.06 2.72 2.02 -0.23 -0.86 118.70 127.17 1r5i s GLU 176 Ca 0.03 -0.56 -0.17 0.00 0.02 0.00 0.00 54.97 54.29 1r5i s GLU 176 Cb -0.13 -2.95 0.03 0.00 0.10 0.00 0.00 34.13 31.18 1r5i s GLU 176 CO -0.10 0.06 0.39 -1.58 0.02 0.00 0.00 175.26 174.05 1r5i s HIS 177 N 0.83 -0.32 0.63 1.61 2.46 -1.26 -1.68 115.29 117.56 1r5i s HIS 177 Ca -0.01 0.61 0.25 0.00 0.47 0.00 0.00 55.06 56.37 1r5i s HIS 177 Cb -0.15 0.16 1.24 0.00 -0.13 0.00 0.00 32.58 33.71 1r5i s HIS 177 CO 0.02 -0.38 1.70 -1.35 -2.47 0.00 0.00 174.74 172.25 1r5i h PRO 178 N 4.16 0.00 -0.00 2.88 0.11 -1.93 0.23 132.00 137.45 1r5i h PRO 178 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1r5i h PRO 178 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1r5i h PRO 178 CO 0.36 0.00 -0.09 -1.13 -0.21 0.00 0.00 178.00 176.93 1r5i n SER 179 N -3.17 0.31 -3.91 -2.05 3.41 -1.26 -4.79 113.62 102.16 1r5i n SER 179 Ca 0.05 -0.37 -0.18 0.00 -0.26 0.00 0.00 58.87 58.11 1r5i n SER 179 Cb 0.72 -0.14 -0.16 0.00 -0.26 0.00 0.00 64.21 64.37 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 -2.56 0.47 0.21 -3.33 0.11 0.07 -4.82 120.40 110.54 1r5i s VAL 180 Ca 0.27 -0.14 0.09 0.00 -2.93 0.00 0.00 61.98 59.27 1r5i s VAL 180 Cb 0.20 -0.47 -0.11 0.00 -1.53 0.00 0.00 36.38 34.48 1r5i s VAL 180 CO 0.48 0.18 1.47 0.71 -3.33 0.00 0.00 175.10 174.62 1r5i h THR 181 N 5.78 1.56 -3.50 5.04 1.35 -1.87 -3.41 112.91 117.87 1r5i h THR 181 Ca -0.36 -2.67 -0.62 0.00 -0.55 0.00 0.00 66.41 62.21 1r5i h THR 181 Cb 1.16 2.44 -0.33 0.00 -1.73 0.00 0.00 68.15 69.70 1r5i h THR 181 CO 0.49 0.76 -0.86 -0.44 -0.25 0.00 0.00 175.52 175.22 1r5i s SER 182 N -6.79 2.64 0.17 5.36 0.01 -1.26 -5.08 113.70 108.75 1r5i s SER 182 Ca -0.00 -0.46 -0.31 0.00 1.31 0.00 0.00 55.95 56.48 1r5i s SER 182 Cb 0.12 -1.10 -0.17 0.00 0.21 0.00 0.00 66.02 65.08 1r5i s SER 182 CO 0.79 0.14 0.90 -0.81 0.41 0.00 0.00 173.24 174.66 1r5i n PRO 183 N 3.49 0.61 -2.95 12.44 -0.04 -1.26 -4.96 135.00 142.33 1r5i n PRO 183 Ca -0.20 0.22 -0.34 0.00 -0.04 0.00 0.00 63.50 63.14 1r5i n PRO 183 Cb 0.53 -1.52 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 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 1.32 4.09 -0.04 1.53 1.02 -0.04 -4.86 118.68 121.70 1r5i s LEU 184 Ca 0.70 1.55 -0.06 0.00 0.02 0.00 0.00 54.13 56.34 1r5i s LEU 184 Cb -0.92 -4.19 0.01 0.00 0.02 0.00 0.00 46.19 41.11 1r5i s LEU 184 CO 0.56 -0.22 0.16 0.42 0.02 0.00 0.00 176.35 177.29 1r5i s THR 185 N -1.95 0.03 -0.05 5.49 -4.23 -1.26 -0.42 115.64 113.26 1r5i s THR 185 Ca 0.55 -0.24 0.01 0.00 -1.18 0.00 0.00 61.69 60.83 1r5i s THR 185 Cb -0.12 -0.31 0.02 0.00 1.34 0.00 0.00 72.50 73.44 1r5i s THR 185 CO 0.17 -0.13 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.39 1r5i s VAL 186 N -0.43 0.52 0.27 2.29 1.01 -0.84 -4.97 120.40 118.25 1r5i s VAL 186 Ca -0.05 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 61.91 1r5i s VAL 186 Cb -0.03 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1r5i s VAL 186 CO 0.01 0.23 0.31 -1.61 0.00 0.00 0.00 175.10 174.04 1r5i s GLU 187 N 1.12 3.11 -0.21 2.72 2.02 -1.26 -1.12 118.70 125.07 1r5i s GLU 187 Ca -0.08 -0.97 -0.04 0.00 0.02 0.00 0.00 54.97 53.90 1r5i s GLU 187 Cb -0.14 -2.71 0.09 0.00 0.10 0.00 0.00 34.13 31.48 1r5i s GLU 187 CO -0.01 0.32 0.20 -0.46 0.02 0.00 0.00 175.26 175.33 1r5i s TRP 188 N -2.11 -0.16 -0.10 1.61 -0.11 -0.53 -4.96 118.94 112.58 1r5i s TRP 188 Ca 0.36 -0.01 -0.30 0.00 1.22 0.00 0.00 56.10 57.38 1r5i s TRP 188 Cb -0.08 -0.48 -0.03 0.00 -1.50 0.00 0.00 33.47 31.38 1r5i s TRP 188 CO 0.27 -0.64 1.31 1.03 -4.62 0.00 0.00 176.95 174.31 1r5i s ARG 189 N 2.28 4.27 0.00 5.86 1.81 -1.26 -2.15 118.95 129.75 1r5i s ARG 189 Ca 0.06 1.77 0.10 0.00 -1.72 0.00 0.00 55.73 55.95 1r5i s ARG 189 Cb -0.16 -3.70 0.61 0.00 -0.45 0.00 0.00 34.95 31.25 1r5i s ARG 189 CO -0.16 -0.63 1.05 0.00 -0.68 0.00 0.00 175.30 174.89