#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d5m n THR 3 N 0.00 1.85 -1.83 2.12 -2.24 -1.26 -5.01 114.28 107.91 1d5m n THR 3 Ca 0.00 -1.33 -0.40 0.00 -2.27 0.00 0.00 64.05 60.05 1d5m n THR 3 Cb 0.00 0.09 0.02 0.00 -2.10 0.00 0.00 70.33 68.33 1d5m n THR 3 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1d5m s ARG 4 N -1.97 3.65 0.37 -0.78 0.52 -1.26 -4.94 118.95 114.54 1d5m s ARG 4 Ca 0.44 2.36 -0.27 0.00 -0.52 0.00 0.00 55.73 57.75 1d5m s ARG 4 Cb 0.30 -2.61 -0.09 0.00 0.52 0.00 0.00 34.95 33.06 1d5m s ARG 4 CO 0.19 -0.83 1.26 -1.25 0.02 0.00 0.00 175.30 174.68 1d5m s PRO 5 N -2.49 4.16 0.10 3.54 0.04 -1.26 -5.03 135.00 134.07 1d5m s PRO 5 Ca 0.62 2.07 0.06 0.00 0.04 0.00 0.00 61.00 63.79 1d5m s PRO 5 Cb -0.43 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1d5m s PRO 5 CO 0.54 -0.30 -0.03 1.03 0.04 0.00 0.00 177.00 178.29 1d5m s ARG 6 N -2.05 2.42 -0.06 4.56 3.00 -1.26 -5.12 118.95 120.44 1d5m s ARG 6 Ca 0.53 -0.92 0.01 0.00 0.00 0.00 0.00 55.73 55.35 1d5m s ARG 6 Cb -0.36 -2.46 0.02 0.00 0.00 0.00 0.00 34.95 32.15 1d5m s ARG 6 CO 0.47 0.52 -0.05 -0.06 0.00 0.00 0.00 175.30 176.18 1d5m s PHE 7 N -1.33 0.91 -0.05 -0.53 0.40 -1.26 -5.12 117.98 111.00 1d5m s PHE 7 Ca 0.25 -0.30 0.06 0.00 -0.60 0.00 0.00 56.93 56.34 1d5m s PHE 7 Cb -0.11 -0.79 -0.01 0.00 0.51 0.00 0.00 43.02 42.62 1d5m s PHE 7 CO 0.17 -0.25 -0.22 -1.17 0.70 0.00 0.00 175.22 174.45 1d5m s LEU 8 N 1.08 2.01 -0.10 -0.37 2.96 -1.26 -5.03 118.68 117.98 1d5m s LEU 8 Ca -0.08 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1d5m s LEU 8 Cb -0.14 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.33 1d5m s LEU 8 CO -0.01 0.22 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.35 1d5m s GLU 9 N -0.14 3.00 0.08 1.98 2.56 -1.26 0.63 118.70 125.54 1d5m s GLU 9 Ca -0.02 -0.80 0.06 0.00 0.00 0.00 0.00 54.97 54.21 1d5m s GLU 9 Cb -0.12 -2.39 -0.03 0.00 2.00 0.00 0.00 34.13 33.58 1d5m s GLU 9 CO 0.03 0.28 -0.16 -0.65 -0.56 0.00 0.00 175.26 174.20 1d5m s GLN 10 N 0.11 0.90 -0.03 4.30 -0.21 -0.45 -4.95 119.66 119.34 1d5m s GLN 10 Ca -0.09 -0.98 0.00 0.00 0.02 0.00 0.00 55.36 54.31 1d5m s GLN 10 Cb -0.16 -0.96 0.02 0.00 1.00 0.00 0.00 33.01 32.91 1d5m s GLN 10 CO 0.06 0.22 -0.00 0.08 -2.12 0.00 0.00 175.29 173.52 1d5m s VAL 11 N -1.21 0.19 -0.12 1.09 1.01 -1.26 -0.22 120.40 119.88 1d5m s VAL 11 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1d5m s VAL 11 Cb -0.10 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.04 1d5m s VAL 11 CO 0.03 0.14 -0.08 -0.54 0.00 0.00 0.00 175.10 174.65 1d5m s LYS 12 N 0.91 1.57 -0.41 2.72 1.02 0.45 -5.01 119.74 120.99 1d5m s LYS 12 Ca -0.09 -0.29 -0.11 0.00 0.02 0.00 0.00 55.97 55.50 1d5m s LYS 12 Cb -0.13 -1.65 0.06 0.00 -0.52 0.00 0.00 37.83 35.59 1d5m s LYS 12 CO -0.01 -0.28 0.26 -1.01 -0.92 0.00 0.00 175.35 173.39 1d5m s HIS 13 N 1.69 3.29 0.01 3.18 3.76 -1.26 -0.16 115.29 125.80 1d5m s HIS 13 Ca 0.05 -1.27 0.03 0.00 -0.15 0.00 0.00 55.06 53.71 1d5m s HIS 13 Cb -0.13 -2.81 -0.03 0.00 1.11 0.00 0.00 32.58 30.72 1d5m s HIS 13 CO -0.08 -0.78 -0.05 -1.21 -0.85 0.00 0.00 174.74 171.77 1d5m s GLU 14 N 1.49 2.59 -0.19 1.40 2.02 0.14 -4.98 118.70 121.18 1d5m s GLU 14 Ca 0.03 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1d5m s GLU 14 Cb -0.22 -2.54 0.04 0.00 0.10 0.00 0.00 34.13 31.52 1d5m s GLU 14 CO 0.04 0.60 -0.09 0.00 0.02 0.00 0.00 175.26 175.84 1d5m s HIS 16 N 1.48 3.10 -0.15 0.00 3.76 0.04 -4.97 115.29 118.56 1d5m s HIS 16 Ca -0.00 -0.35 -0.04 0.00 -0.15 0.00 0.00 55.06 54.51 1d5m s HIS 16 Cb -0.16 -2.24 -0.03 0.00 1.11 0.00 0.00 32.58 31.26 1d5m s HIS 16 CO -0.08 -0.31 -0.01 -0.06 -0.85 0.00 0.00 174.74 173.43 1d5m s PHE 17 N 1.54 3.10 -0.09 1.40 0.40 -1.26 -1.16 117.98 121.92 1d5m s PHE 17 Ca 0.06 -0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.30 1d5m s PHE 17 Cb -0.15 -1.96 -0.00 0.00 0.51 0.00 0.00 43.02 41.42 1d5m s PHE 17 CO 0.04 0.09 -0.23 -0.06 0.70 0.00 0.00 175.22 175.76 1d5m s PHE 18 N 0.18 2.41 -0.89 0.36 0.40 -0.09 -4.81 117.98 115.54 1d5m s PHE 18 Ca 0.00 -0.94 -0.06 0.00 -0.60 0.00 0.00 56.93 55.33 1d5m s PHE 18 Cb -0.13 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.78 1d5m s PHE 18 CO 0.02 -0.37 0.71 0.09 0.70 0.00 0.00 175.22 176.36 1d5m n ASN 19 N 3.46 -6.16 0.00 1.36 5.03 -1.26 -2.64 115.26 115.05 1d5m n ASN 19 Ca -0.19 -0.64 0.00 0.00 0.87 0.00 0.00 54.58 54.62 1d5m n ASN 19 Cb 0.53 -3.64 0.00 0.00 -1.02 0.00 0.00 39.78 35.65 1d5m n ASN 19 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1d5m n GLY 20 N -1.69 2.70 0.04 7.41 0.00 -1.26 -2.32 105.19 110.07 1d5m n GLY 20 Ca -0.13 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.76 1d5m n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d5m n THR 21 N 0.00 1.00 -0.30 2.61 -2.24 -1.26 -4.77 114.28 109.33 1d5m n THR 21 Ca 0.00 -1.08 0.03 0.00 -2.27 0.00 0.00 64.05 60.72 1d5m n THR 21 Cb 0.00 0.41 0.17 0.00 -2.10 0.00 0.00 70.33 68.81 1d5m n THR 21 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1d5m h GLU 22 N 0.00 0.81 -4.39 -0.78 4.39 -1.49 -3.39 114.58 109.73 1d5m h GLU 22 Ca 0.00 -0.05 -0.51 0.00 0.34 0.00 0.00 59.36 59.14 1d5m h GLU 22 Cb 0.72 -0.18 -0.35 0.00 -0.10 0.00 0.00 28.75 28.84 1d5m h GLU 22 CO 0.00 0.54 -0.81 0.50 -1.16 0.00 0.00 179.01 178.08 1d5m s ARG 23 N -6.03 1.56 -0.00 2.33 3.52 -1.08 -5.05 118.95 114.19 1d5m s ARG 23 Ca -0.12 -0.33 0.03 0.00 -0.13 0.00 0.00 55.73 55.18 1d5m s ARG 23 Cb 0.19 -1.40 -0.01 0.00 -1.56 0.00 0.00 34.95 32.17 1d5m s ARG 23 CO 0.78 -0.08 -0.11 0.08 -0.81 0.00 0.00 175.30 175.17 1d5m s VAL 24 N 1.02 0.85 -0.12 7.11 1.01 -1.26 -0.92 120.40 128.10 1d5m s VAL 24 Ca -0.08 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1d5m s VAL 24 Cb -0.15 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.53 1d5m s VAL 24 CO -0.00 0.21 -0.12 -0.60 0.00 0.00 0.00 175.10 174.59 1d5m s ARG 25 N -0.33 1.97 -0.15 2.72 3.52 -0.30 -4.98 118.95 121.39 1d5m s ARG 25 Ca 0.04 -0.45 -0.06 0.00 -0.13 0.00 0.00 55.73 55.13 1d5m s ARG 25 Cb -0.04 -1.80 -0.04 0.00 -1.56 0.00 0.00 34.95 31.50 1d5m s ARG 25 CO -0.00 -0.17 0.07 0.12 -0.81 0.00 0.00 175.30 174.50 1d5m s PHE 26 N 1.33 3.30 -0.10 5.12 5.36 -1.26 -0.78 117.98 130.95 1d5m s PHE 26 Ca -0.00 0.18 0.01 0.00 -0.96 0.00 0.00 56.93 56.16 1d5m s PHE 26 Cb -0.14 -2.00 0.02 0.00 -0.34 0.00 0.00 43.02 40.56 1d5m s PHE 26 CO -0.06 0.32 -0.11 -0.51 -1.46 0.00 0.00 175.22 173.41 1d5m s LEU 27 N -0.12 1.45 -0.45 6.12 1.43 0.02 -0.97 118.68 126.17 1d5m s LEU 27 Ca 0.07 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.77 1d5m s LEU 27 Cb -0.12 -0.90 0.12 0.00 0.03 0.00 0.00 46.19 45.32 1d5m s LEU 27 CO 0.01 -0.04 0.29 -0.62 0.23 0.00 0.00 176.35 176.21 1d5m s ASP 28 N 1.24 5.53 -0.11 2.29 2.15 -0.01 0.25 116.67 128.01 1d5m s ASP 28 Ca -0.03 -1.96 -0.01 0.00 0.43 0.00 0.00 52.55 50.98 1d5m s ASP 28 Cb -0.14 -1.94 -0.03 0.00 -0.30 0.00 0.00 42.92 40.52 1d5m s ASP 28 CO -0.04 -0.63 -0.07 -0.13 -0.17 0.00 0.00 175.17 174.13 1d5m s ARG 29 N 1.27 3.17 -0.07 4.34 0.52 0.77 -1.44 118.95 127.52 1d5m s ARG 29 Ca 0.07 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 1d5m s ARG 29 Cb -0.25 -2.70 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 1d5m s ARG 29 CO -0.02 0.43 -0.22 0.71 0.02 0.00 0.00 175.30 176.23 1d5m s TYR 30 N -0.19 2.54 0.05 -0.53 1.51 -0.87 -0.41 117.35 119.46 1d5m s TYR 30 Ca 0.02 -0.66 0.05 0.00 -1.01 0.00 0.00 57.07 55.48 1d5m s TYR 30 Cb -0.13 -1.65 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 1d5m s TYR 30 CO 0.03 -0.17 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.09 1d5m s PHE 31 N -0.13 1.27 -0.32 2.71 0.40 0.70 -1.28 117.98 121.32 1d5m s PHE 31 Ca -0.04 -0.38 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1d5m s PHE 31 Cb -0.14 -0.74 0.06 0.00 0.51 0.00 0.00 43.02 42.71 1d5m s PHE 31 CO 0.04 0.05 0.05 -0.47 0.70 0.00 0.00 175.22 175.59 1d5m s TYR 32 N -0.97 3.33 0.00 0.36 5.04 -0.41 -1.35 117.35 123.36 1d5m s TYR 32 Ca 0.01 -1.94 0.00 0.00 -2.44 0.00 0.00 57.07 52.70 1d5m s TYR 32 Cb -0.08 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 39.88 1d5m s TYR 32 CO 0.02 -0.83 0.00 0.72 -1.34 0.00 0.00 175.55 174.12 1d5m n HIS 33 N 4.63 0.00 0.66 4.97 8.25 0.20 -1.47 115.22 132.46 1d5m n HIS 33 Ca -0.11 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.43 1d5m n HIS 33 Cb 0.43 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.60 1d5m n HIS 33 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1d5m n GLN 34 N 11.05 1.26 -2.97 -0.41 6.02 -1.26 -4.66 117.38 126.42 1d5m n GLN 34 Ca 0.00 -1.37 -0.43 0.00 -0.01 0.00 0.00 57.00 55.19 1d5m n GLN 34 Cb 0.00 -1.30 -0.05 0.00 1.02 0.00 0.00 30.24 29.91 1d5m n GLN 34 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1d5m s GLU 35 N -1.37 3.36 0.08 -1.09 8.01 -0.54 -5.03 118.70 122.11 1d5m s GLU 35 Ca 0.18 -0.22 -0.31 0.00 0.01 0.00 0.00 54.97 54.63 1d5m s GLU 35 Cb 0.13 -3.97 -0.07 0.00 -4.31 0.00 0.00 34.13 25.91 1d5m s GLU 35 CO 0.22 -1.19 1.36 -2.00 0.01 0.00 0.00 175.26 173.66 1d5m s GLU 36 N 3.32 4.33 -0.01 1.61 2.12 -1.26 -1.29 118.70 127.52 1d5m s GLU 36 Ca 0.28 2.00 0.05 0.00 0.36 0.00 0.00 54.97 57.66 1d5m s GLU 36 Cb -0.13 -3.35 -0.08 0.00 0.26 0.00 0.00 34.13 30.83 1d5m s GLU 36 CO 0.21 -0.44 0.11 2.48 -0.54 0.00 0.00 175.26 177.07 1d5m n TYR 37 N 4.33 0.00 -3.69 5.30 0.18 -0.40 -4.27 117.16 118.61 1d5m n TYR 37 Ca 0.11 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.75 1d5m n TYR 37 Cb 0.43 -0.14 -0.08 0.00 -0.38 0.00 0.00 39.34 39.17 1d5m n TYR 37 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1d5m s VAL 38 N -2.35 0.03 0.00 -3.48 1.01 -1.25 0.47 120.40 114.84 1d5m s VAL 38 Ca -0.02 -0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 1d5m s VAL 38 Cb 0.03 -0.73 0.06 0.00 0.00 0.00 0.00 36.38 35.75 1d5m s VAL 38 CO 0.22 -0.16 0.61 0.00 0.00 0.00 0.00 175.10 175.78 1d5m s ARG 39 N -1.10 1.06 -0.18 2.72 1.70 -0.74 -2.04 118.95 120.38 1d5m s ARG 39 Ca -0.11 0.03 -0.02 0.00 -0.47 0.00 0.00 55.73 55.16 1d5m s ARG 39 Cb -0.04 0.49 -0.01 0.00 -0.57 0.00 0.00 34.95 34.83 1d5m s ARG 39 CO 0.05 -0.36 -0.09 0.12 -1.08 0.00 0.00 175.30 173.95 1d5m s PHE 40 N -1.79 2.90 -0.21 5.89 5.36 -0.52 -0.81 117.98 128.79 1d5m s PHE 40 Ca -0.08 -0.81 0.01 0.00 -0.96 0.00 0.00 56.93 55.08 1d5m s PHE 40 Cb -0.01 -1.98 0.03 0.00 -0.34 0.00 0.00 43.02 40.72 1d5m s PHE 40 CO 0.04 -0.39 -0.14 0.34 -1.46 0.00 0.00 175.22 173.61 1d5m s ASP 41 N 0.93 3.71 0.54 6.13 -1.08 -1.26 -0.83 116.67 124.81 1d5m s ASP 41 Ca -0.02 -0.83 0.27 0.00 -0.52 0.00 0.00 52.55 51.45 1d5m s ASP 41 Cb -0.15 -1.55 1.43 0.00 -1.46 0.00 0.00 42.92 41.19 1d5m s ASP 41 CO 0.00 -0.07 1.98 0.77 0.52 0.00 0.00 175.17 178.38 1d5m h SER 42 N 7.93 0.00 0.83 -0.34 4.64 -1.43 0.52 113.55 125.70 1d5m h SER 42 Ca -0.38 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 1d5m h SER 42 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1d5m h SER 42 CO 0.59 0.00 -0.08 0.44 -0.87 0.00 0.00 176.83 176.91 1d5m h ASP 43 N 0.00 0.00 0.04 4.97 3.32 -1.94 -3.16 116.42 119.65 1d5m h ASP 43 Ca 0.26 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.93 1d5m h ASP 43 Cb 1.08 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.58 1d5m h ASP 43 CO -0.00 0.08 -2.32 0.52 -1.72 0.00 0.00 179.24 175.80 1d5m n VAL 44 N -3.25 1.58 -0.30 -1.35 0.31 0.15 -5.03 118.33 110.43 1d5m n VAL 44 Ca -0.00 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1d5m n VAL 44 Cb 0.31 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1d5m n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1d5m n GLY 45 N 2.14 0.68 3.58 2.92 0.00 0.65 -5.03 105.19 110.13 1d5m n GLY 45 Ca -0.42 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 1d5m n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1d5m s GLU 46 N -0.70 1.39 0.41 1.61 2.02 -1.26 -4.93 118.70 117.23 1d5m s GLU 46 Ca 0.00 -0.62 -0.25 0.00 0.02 0.00 0.00 54.97 54.12 1d5m s GLU 46 Cb 0.00 0.57 -0.08 0.00 0.10 0.00 0.00 34.13 34.71 1d5m s GLU 46 CO 0.00 -0.62 1.14 0.71 0.02 0.00 0.00 175.26 176.52 1d5m s TYR 47 N -3.71 3.09 -0.03 1.61 1.51 -1.26 -4.08 117.35 114.47 1d5m s TYR 47 Ca 0.05 1.57 -0.02 0.00 -1.01 0.00 0.00 57.07 57.67 1d5m s TYR 47 Cb -0.03 -3.34 0.02 0.00 -0.11 0.00 0.00 41.96 38.51 1d5m s TYR 47 CO -0.06 -1.20 0.07 1.03 -1.11 0.00 0.00 175.55 174.28 1d5m s ARG 48 N -2.37 0.04 0.24 -0.62 1.81 0.01 -4.86 118.95 113.20 1d5m s ARG 48 Ca 0.58 0.19 -0.30 0.00 -1.72 0.00 0.00 55.73 54.48 1d5m s ARG 48 Cb -0.29 -0.11 -0.09 0.00 -0.45 0.00 0.00 34.95 34.01 1d5m s ARG 48 CO 0.36 -0.10 1.27 0.00 -0.68 0.00 0.00 175.30 176.15 1d5m s ALA 49 N 0.66 3.50 -0.11 2.13 0.00 -1.26 -1.78 121.76 124.88 1d5m s ALA 49 Ca -0.05 1.10 0.16 0.00 0.00 0.00 0.00 51.96 53.17 1d5m s ALA 49 Cb -0.07 -3.45 -0.21 0.00 0.00 0.00 0.00 23.12 19.39 1d5m s ALA 49 CO -0.02 -0.50 0.57 0.28 0.00 0.00 0.00 175.76 176.09 1d5m n VAL 50 N 2.00 1.26 -4.11 0.00 0.31 0.18 -4.90 118.33 113.07 1d5m n VAL 50 Ca 0.04 -0.75 -0.08 0.00 -0.01 0.00 0.00 64.34 63.54 1d5m n VAL 50 Cb 0.43 -0.70 -0.10 0.00 -0.91 0.00 0.00 33.84 32.56 1d5m n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1d5m s THR 51 N -2.78 0.17 0.40 2.52 -4.23 -1.08 -4.94 115.64 105.70 1d5m s THR 51 Ca -0.05 -1.84 0.13 0.00 -1.18 0.00 0.00 61.69 58.74 1d5m s THR 51 Cb 0.08 -1.75 0.34 0.00 1.34 0.00 0.00 72.50 72.51 1d5m s THR 51 CO 0.83 -0.75 1.91 -0.33 -0.54 0.00 0.00 174.62 175.74 1d5m h GLU 52 N 3.01 0.52 -0.75 3.99 4.39 -1.92 -0.31 114.58 123.52 1d5m h GLU 52 Ca -0.34 -0.03 0.22 0.00 0.34 0.00 0.00 59.36 59.54 1d5m h GLU 52 Cb 1.17 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 1d5m h GLU 52 CO 0.63 0.34 0.57 -0.07 -1.16 0.00 0.00 179.01 179.32 1d5m h LEU 53 N 0.54 0.00 -1.72 1.33 3.38 -1.96 -0.79 115.31 116.08 1d5m h LEU 53 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1d5m h LEU 53 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1d5m h LEU 53 CO -0.14 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.00 1d5m n GLY 54 N -1.66 0.82 0.17 0.83 0.00 -0.13 -4.48 105.19 100.74 1d5m n GLY 54 Ca 0.15 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.48 1d5m n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1d5m h ARG 55 N 4.06 0.34 -0.83 1.61 2.43 -1.18 -2.64 114.38 118.17 1d5m h ARG 55 Ca 0.00 -0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.31 1d5m h ARG 55 Cb 0.87 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.24 1d5m h ARG 55 CO 0.00 0.23 0.39 -1.35 -1.51 0.00 0.00 179.97 177.73 1d5m h PRO 56 N 0.35 0.51 0.13 0.20 0.11 -1.78 -2.45 132.00 129.07 1d5m h PRO 56 Ca 0.18 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1d5m h PRO 56 Cb 0.13 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1d5m h PRO 56 CO -0.16 0.34 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.47 1d5m h ASP 57 N 0.53 -0.15 -0.52 -2.05 3.32 -1.79 -2.53 116.42 113.24 1d5m h ASP 57 Ca 0.47 -0.32 0.10 0.00 0.02 0.00 0.00 57.03 57.30 1d5m h ASP 57 Cb 0.72 0.04 -0.10 0.00 0.22 0.00 0.00 39.33 40.21 1d5m h ASP 57 CO -0.41 0.27 -0.15 0.00 -1.72 0.00 0.00 179.24 177.23 1d5m h ALA 58 N 0.19 0.30 -0.26 3.45 0.00 -1.22 0.20 119.26 121.93 1d5m h ALA 58 Ca -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1d5m h ALA 58 Cb 0.46 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1d5m h ALA 58 CO 0.03 -0.46 0.14 0.93 0.00 0.00 0.00 179.25 179.88 1d5m h GLU 59 N -0.03 0.36 -0.22 0.00 5.08 -1.51 -0.87 114.58 117.40 1d5m h GLU 59 Ca 0.25 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1d5m h GLU 59 Cb 0.41 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1d5m h GLU 59 CO -0.55 0.33 -0.01 -0.92 -1.00 0.00 0.00 179.01 176.86 1d5m h TYR 60 N 0.30 0.43 -0.20 4.33 3.20 -0.95 -2.91 116.97 121.17 1d5m h TYR 60 Ca 0.09 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1d5m h TYR 60 Cb 0.07 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1d5m h TYR 60 CO -0.03 0.59 0.05 -1.49 -1.64 0.00 0.00 178.16 175.64 1d5m h TRP 61 N 0.14 0.33 0.00 -3.82 6.55 -0.59 -2.35 115.95 116.21 1d5m h TRP 61 Ca 0.06 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.86 1d5m h TRP 61 Cb 0.43 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 1d5m h TRP 61 CO 0.04 0.43 0.01 -0.91 -1.05 0.00 0.00 178.44 176.95 1d5m h ASN 62 N 0.14 0.00 0.00 -3.49 2.35 -1.21 -2.02 115.58 111.34 1d5m h ASN 62 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1d5m h ASN 62 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1d5m h ASN 62 CO 0.00 0.00 0.00 -0.24 -1.65 0.00 0.00 177.43 175.54 1d5m n SER 63 N -3.05 0.24 -3.63 5.81 2.88 -0.88 -4.38 113.62 110.61 1d5m n SER 63 Ca -0.03 -1.55 -0.29 0.00 -1.33 0.00 0.00 58.87 55.67 1d5m n SER 63 Cb 0.07 -0.12 -0.14 0.00 -0.75 0.00 0.00 64.21 63.28 1d5m n SER 63 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1d5m s GLN 64 N -1.69 0.72 0.45 -1.46 -0.21 -0.76 -4.98 119.66 111.73 1d5m s GLN 64 Ca 0.00 -1.28 0.18 0.00 0.02 0.00 0.00 55.36 54.29 1d5m s GLN 64 Cb 0.00 -1.76 1.14 0.00 1.00 0.00 0.00 33.01 33.40 1d5m s GLN 64 CO 0.00 -1.09 1.93 0.87 -2.12 0.00 0.00 175.29 174.88 1d5m h LYS 65 N 7.53 0.30 -0.66 2.91 1.57 -1.86 0.48 116.57 126.84 1d5m h LYS 65 Ca -0.07 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1d5m h LYS 65 Cb 0.98 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 1d5m h LYS 65 CO 0.42 0.20 0.25 0.38 -0.57 0.00 0.00 179.45 180.13 1d5m h ASP 66 N 0.31 0.90 -0.05 0.86 2.03 -1.96 0.56 116.42 119.08 1d5m h ASP 66 Ca 0.35 -0.13 -0.05 0.00 -0.73 0.00 0.00 57.03 56.47 1d5m h ASP 66 Cb 0.93 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 1d5m h ASP 66 CO -0.09 0.82 -0.15 0.25 -1.03 0.00 0.00 179.24 179.03 1d5m h LEU 67 N 0.96 0.22 -0.89 0.15 5.85 -0.49 -2.86 115.31 118.25 1d5m h LEU 67 Ca 0.22 -0.61 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 1d5m h LEU 67 Cb 0.21 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1d5m h LEU 67 CO -0.02 0.80 0.01 -0.07 -0.34 0.00 0.00 178.44 178.82 1d5m h LEU 68 N -0.35 0.80 -0.86 2.25 3.38 -0.75 -1.92 115.31 117.87 1d5m h LEU 68 Ca -0.01 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1d5m h LEU 68 Cb 0.78 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 1d5m h LEU 68 CO 0.03 0.86 0.54 -0.08 0.09 0.00 0.00 178.44 179.88 1d5m h GLU 69 N 0.78 0.99 -0.24 1.13 4.81 0.09 0.13 114.58 122.27 1d5m h GLU 69 Ca 0.15 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1d5m h GLU 69 Cb 0.45 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1d5m h GLU 69 CO 0.02 0.65 0.07 1.96 -0.73 0.00 0.00 179.01 180.98 1d5m h GLN 70 N 1.02 0.37 -0.45 1.92 4.20 -1.18 -2.83 115.11 118.16 1d5m h GLN 70 Ca 0.36 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.89 1d5m h GLN 70 Cb 0.10 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1d5m h GLN 70 CO -0.15 0.46 -0.13 0.87 -0.67 0.00 0.00 178.83 179.21 1d5m h LYS 71 N 0.21 0.84 0.00 1.46 1.79 -0.84 -2.60 116.57 117.44 1d5m h LYS 71 Ca 0.08 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1d5m h LYS 71 Cb 0.25 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1d5m h LYS 71 CO -0.00 0.92 0.00 0.00 -1.08 0.00 0.00 179.45 179.29 1d5m h ARG 72 N 0.75 0.00 -0.02 3.15 3.08 -0.67 -1.83 114.38 118.85 1d5m h ARG 72 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1d5m h ARG 72 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1d5m h ARG 72 CO 0.04 0.00 -0.38 0.00 -1.07 0.00 0.00 179.97 178.56 1d5m n ALA 73 N -1.86 3.34 -0.26 0.04 0.00 -1.00 -4.55 120.51 116.22 1d5m n ALA 73 Ca 0.01 -0.65 0.03 0.00 0.00 0.00 0.00 53.44 52.83 1d5m n ALA 73 Cb 0.22 -0.78 0.16 0.00 0.00 0.00 0.00 19.45 19.05 1d5m n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d5m h ALA 74 N 3.97 1.04 -0.74 0.00 0.00 -1.04 -0.20 119.26 122.28 1d5m h ALA 74 Ca 0.00 0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.19 1d5m h ALA 74 Cb 0.79 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1d5m h ALA 74 CO 0.00 -0.08 0.62 -0.39 0.00 0.00 0.00 179.25 179.40 1d5m h VAL 75 N 0.58 0.45 0.00 0.00 -1.51 -1.80 0.25 116.25 114.21 1d5m h VAL 75 Ca 0.38 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.77 1d5m h VAL 75 Cb 0.46 0.55 -0.01 0.00 -2.13 0.00 0.00 31.29 30.15 1d5m h VAL 75 CO -0.31 0.00 -1.11 0.47 -1.23 0.00 0.00 177.57 175.40 1d5m n ASP 76 N -4.00 1.91 0.25 4.19 8.00 -0.29 -1.04 116.55 125.57 1d5m n ASP 76 Ca 0.15 0.41 0.12 0.00 0.71 0.00 0.00 54.79 56.18 1d5m n ASP 76 Cb 0.89 -0.79 0.59 0.00 -0.02 0.00 0.00 41.12 41.78 1d5m n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1d5m h THR 77 N -1.00 0.45 0.00 -3.53 1.35 -0.98 -2.45 112.91 106.75 1d5m h THR 77 Ca -0.11 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1d5m h THR 77 Cb 0.98 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1d5m h THR 77 CO -0.07 0.15 -0.22 0.00 -0.25 0.00 0.00 175.52 175.13 1d5m n TYR 78 N -3.40 0.00 0.10 4.73 9.36 0.70 -4.55 117.16 124.11 1d5m n TYR 78 Ca -0.00 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.18 1d5m n TYR 78 Cb 0.35 -0.11 -0.02 0.00 -0.63 0.00 0.00 39.34 38.93 1d5m n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1d5m h ARG 80 N -0.26 0.38 0.02 0.00 3.08 -1.17 -0.27 114.38 116.15 1d5m h ARG 80 Ca -0.03 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1d5m h ARG 80 Cb 0.20 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1d5m h ARG 80 CO 0.04 0.25 -0.01 1.25 -1.07 0.00 0.00 179.97 180.43 1d5m h HIS 81 N 0.39 -0.02 -0.17 3.04 2.76 -1.40 -1.91 115.15 117.83 1d5m h HIS 81 Ca 0.15 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.22 1d5m h HIS 81 Cb 0.10 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1d5m h HIS 81 CO -0.00 0.18 -0.29 -0.91 -1.30 0.00 0.00 177.93 175.61 1d5m h ASN 82 N -0.22 0.34 -0.31 3.26 2.35 -0.62 -2.39 115.58 117.98 1d5m h ASN 82 Ca -0.00 -0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1d5m h ASN 82 Cb 0.21 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1d5m h ASN 82 CO 0.00 0.63 0.16 0.22 -1.65 0.00 0.00 177.43 176.79 1d5m h TYR 83 N 0.30 0.31 -0.38 1.19 3.20 -0.93 -1.87 116.97 118.79 1d5m h TYR 83 Ca 0.04 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1d5m h TYR 83 Cb 0.67 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 1d5m h TYR 83 CO 0.02 0.17 0.20 0.78 -1.64 0.00 0.00 178.16 177.68 1d5m h GLY 84 N 0.34 0.52 1.00 1.82 0.00 -0.95 0.26 103.07 106.06 1d5m h GLY 84 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1d5m h GLY 84 CO -0.08 0.11 0.31 -2.08 0.00 0.00 0.00 176.54 174.80 1d5m h VAL 85 N 0.40 1.22 -0.02 4.60 2.07 -1.08 -3.17 116.25 120.27 1d5m h VAL 85 Ca 0.16 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1d5m h VAL 85 Cb 0.05 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1d5m h VAL 85 CO -0.10 0.25 -0.16 0.61 0.02 0.00 0.00 177.57 178.19 1d5m n GLY 86 N -0.95 0.33 0.26 2.17 0.00 -0.73 -4.60 105.19 101.67 1d5m n GLY 86 Ca 0.04 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.50 1d5m n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1d5m h GLU 87 N 3.17 0.06 -0.61 1.61 4.81 -0.91 -2.12 114.58 120.59 1d5m h GLU 87 Ca 0.00 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1d5m h GLU 87 Cb 0.77 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 1d5m h GLU 87 CO 0.00 0.04 0.40 0.66 -0.73 0.00 0.00 179.01 179.38 1d5m h SER 88 N 0.06 0.53 -0.27 1.04 4.64 -1.81 0.30 113.55 118.04 1d5m h SER 88 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1d5m h SER 88 Cb 0.61 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1d5m h SER 88 CO -0.67 0.35 0.00 2.22 -0.87 0.00 0.00 176.83 177.86 1d5m n PHE 89 N -4.47 0.35 0.00 4.77 1.16 -0.94 -3.98 117.46 114.35 1d5m n PHE 89 Ca 0.08 -0.32 0.00 0.00 -1.87 0.00 0.00 57.45 55.34 1d5m n PHE 89 Cb 0.22 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.07 1d5m n PHE 89 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1d5m n THR 90 N 0.69 0.00 -0.13 1.97 -2.24 -0.84 -4.45 114.28 109.29 1d5m n THR 90 Ca 0.11 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.85 1d5m n THR 90 Cb 0.41 -0.53 0.04 0.00 -2.10 0.00 0.00 70.33 68.15 1d5m n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1d5m h VAL 91 N 0.00 0.73 -0.14 2.28 2.07 -1.64 -1.74 116.25 117.80 1d5m h VAL 91 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1d5m h VAL 91 Cb 0.00 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1d5m h VAL 91 CO 0.00 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1d5m n GLN 92 N -5.15 1.47 -2.21 1.57 6.02 0.06 -4.91 117.38 114.23 1d5m n GLN 92 Ca 0.03 -0.71 -0.42 0.00 -0.01 0.00 0.00 57.00 55.90 1d5m n GLN 92 Cb 0.21 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 1d5m n GLN 92 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1d5m s ARG 93 N -1.81 4.34 -0.07 -1.09 3.52 -0.66 -4.89 118.95 118.29 1d5m s ARG 93 Ca 0.24 2.03 -0.03 0.00 -0.13 0.00 0.00 55.73 57.85 1d5m s ARG 93 Cb 0.13 -3.26 0.04 0.00 -1.56 0.00 0.00 34.95 30.30 1d5m s ARG 93 CO 0.19 -0.40 0.12 1.03 -0.81 0.00 0.00 175.30 175.43 1d5m s ARG 94 N 1.03 -0.00 -0.13 5.12 0.52 -1.26 -3.94 118.95 120.28 1d5m s ARG 94 Ca 0.63 0.48 -0.01 0.00 -0.52 0.00 0.00 55.73 56.32 1d5m s ARG 94 Cb -0.36 -0.34 0.03 0.00 0.52 0.00 0.00 34.95 34.81 1d5m s ARG 94 CO 0.30 -0.30 -0.05 0.08 0.02 0.00 0.00 175.30 175.35 1d5m s VAL 95 N 2.13 0.95 0.44 3.52 1.01 0.46 -4.97 120.40 123.95 1d5m s VAL 95 Ca 0.02 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 1d5m s VAL 95 Cb -0.12 -1.08 -0.08 0.00 0.00 0.00 0.00 36.38 35.11 1d5m s VAL 95 CO -0.05 0.22 1.21 -0.72 0.00 0.00 0.00 175.10 175.76 1d5m s TYR 96 N 1.72 2.86 0.48 5.22 -0.85 -1.26 -1.45 117.35 124.07 1d5m s TYR 96 Ca 0.03 1.50 -0.19 0.00 -0.52 0.00 0.00 57.07 57.89 1d5m s TYR 96 Cb -0.14 -3.48 -0.09 0.00 0.38 0.00 0.00 41.96 38.63 1d5m s TYR 96 CO -0.08 -1.69 0.99 -1.25 -1.52 0.00 0.00 175.55 172.00 1d5m s PRO 97 N -2.52 3.99 -0.13 -3.49 0.04 -1.26 -4.41 135.00 127.21 1d5m s PRO 97 Ca 0.61 1.14 -0.06 0.00 0.04 0.00 0.00 61.00 62.73 1d5m s PRO 97 Cb -0.32 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1d5m s PRO 97 CO 0.40 -0.24 0.08 -2.00 0.04 0.00 0.00 177.00 175.27 1d5m s GLU 98 N -3.48 3.52 -0.05 4.56 2.12 -0.02 -4.92 118.70 120.42 1d5m s GLU 98 Ca 0.63 -0.28 0.05 0.00 0.36 0.00 0.00 54.97 55.73 1d5m s GLU 98 Cb -0.11 -3.10 -0.00 0.00 0.26 0.00 0.00 34.13 31.17 1d5m s GLU 98 CO 0.21 0.58 -0.20 0.08 -0.54 0.00 0.00 175.26 175.39 1d5m s VAL 99 N -0.49 1.66 -0.02 3.70 1.01 -1.26 -0.50 120.40 124.50 1d5m s VAL 99 Ca 0.11 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1d5m s VAL 99 Cb -0.12 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1d5m s VAL 99 CO 0.02 0.47 -0.05 -0.89 0.00 0.00 0.00 175.10 174.65 1d5m s THR 100 N 0.01 0.50 -0.04 3.92 2.01 0.30 -4.99 115.64 117.35 1d5m s THR 100 Ca -0.05 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 61.81 1d5m s THR 100 Cb -0.13 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 1d5m s THR 100 CO 0.03 0.17 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.22 1d5m s VAL 101 N 0.29 2.29 -0.15 3.82 1.01 -1.26 0.23 120.40 126.63 1d5m s VAL 101 Ca -0.03 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 1d5m s VAL 101 Cb -0.08 -1.84 0.11 0.00 0.00 0.00 0.00 36.38 34.58 1d5m s VAL 101 CO -0.00 0.58 0.92 -0.72 0.00 0.00 0.00 175.10 175.88 1d5m s TYR 102 N -0.42 -0.46 0.42 5.22 -0.85 -0.45 -4.99 117.35 115.83 1d5m s TYR 102 Ca 0.04 0.84 -0.23 0.00 -0.52 0.00 0.00 57.07 57.20 1d5m s TYR 102 Cb -0.12 0.43 -0.09 0.00 0.38 0.00 0.00 41.96 42.56 1d5m s TYR 102 CO 0.01 -0.39 1.03 -2.14 -1.52 0.00 0.00 175.55 172.54 1d5m s PRO 103 N -0.94 4.08 0.04 -3.49 0.02 -1.26 -0.83 135.00 132.61 1d5m s PRO 103 Ca -0.03 1.42 -0.17 0.00 0.02 0.00 0.00 61.00 62.24 1d5m s PRO 103 Cb -0.01 -2.39 -0.09 0.00 0.02 0.00 0.00 34.50 32.04 1d5m s PRO 103 CO 0.03 -0.20 1.26 0.00 -0.33 0.00 0.00 177.00 177.76 1d5m h ALA 104 N 2.19 -1.01 -3.29 -1.55 0.00 -1.97 -3.47 119.26 110.17 1d5m h ALA 104 Ca -0.49 -0.10 -0.63 0.00 0.00 0.00 0.00 54.91 53.69 1d5m h ALA 104 Cb 1.21 0.41 -0.19 0.00 0.00 0.00 0.00 17.79 19.22 1d5m h ALA 104 CO 0.61 -1.01 -0.62 1.21 0.00 0.00 0.00 179.25 179.45 1d5m s ASN 113 N -3.14 5.19 -0.20 0.00 3.04 0.05 -5.15 114.94 114.72 1d5m s ASN 113 Ca -0.09 -0.03 -0.14 0.00 0.04 0.00 0.00 52.86 52.64 1d5m s ASN 113 Cb 0.02 -1.87 -0.04 0.00 -1.54 0.00 0.00 41.25 37.82 1d5m s ASN 113 CO 0.28 0.17 0.32 -0.22 -3.04 0.00 0.00 177.10 174.61 1d5m s LEU 114 N 0.37 4.17 -0.17 3.21 2.96 -1.26 -1.48 118.68 126.48 1d5m s LEU 114 Ca -0.01 0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 54.25 1d5m s LEU 114 Cb -0.13 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1d5m s LEU 114 CO 0.02 -0.00 0.11 -0.76 -1.32 0.00 0.00 176.35 174.40 1d5m s LEU 115 N 1.04 4.17 -0.16 -0.68 1.43 0.08 -4.48 118.68 120.07 1d5m s LEU 115 Ca 0.16 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.52 1d5m s LEU 115 Cb -0.14 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1d5m s LEU 115 CO 0.06 0.26 -0.09 -0.69 0.23 0.00 0.00 176.35 176.13 1d5m s VAL 116 N -0.14 3.32 -0.35 -1.59 1.01 -0.01 0.23 120.40 122.87 1d5m s VAL 116 Ca 0.10 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1d5m s VAL 116 Cb -0.12 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.89 1d5m s VAL 116 CO 0.00 0.49 0.10 0.00 0.00 0.00 0.00 175.10 175.70 1d5m s SER 118 N 1.51 6.16 -0.24 0.00 0.15 0.14 -1.31 113.70 120.10 1d5m s SER 118 Ca -0.00 0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.76 1d5m s SER 118 Cb -0.21 -2.17 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 1d5m s SER 118 CO -0.01 -0.14 -0.04 -0.69 1.20 0.00 0.00 173.24 173.56 1d5m s VAL 119 N 1.94 3.18 0.10 4.45 1.01 -0.40 -0.54 120.40 130.15 1d5m s VAL 119 Ca 0.12 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1d5m s VAL 119 Cb -0.16 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1d5m s VAL 119 CO 0.10 0.31 -0.16 0.20 0.00 0.00 0.00 175.10 175.55 1d5m s ASN 120 N 1.41 2.06 -0.91 3.32 0.01 0.35 -0.99 114.94 120.20 1d5m s ASN 120 Ca 0.03 -0.73 0.00 0.00 -0.71 0.00 0.00 52.86 51.46 1d5m s ASN 120 Cb -0.15 -0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.42 1d5m s ASN 120 CO -0.04 -0.07 0.00 0.61 -1.51 0.00 0.00 177.10 176.09 1d5m n GLY 121 N 0.87 1.03 3.94 0.66 0.00 -0.21 -0.84 105.19 110.63 1d5m n GLY 121 Ca -0.18 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 1d5m n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1d5m s PHE 122 N -2.25 3.42 -0.28 1.61 -0.12 -1.12 -4.67 117.98 114.58 1d5m s PHE 122 Ca 0.00 0.40 -0.21 0.00 -0.05 0.00 0.00 56.93 57.07 1d5m s PHE 122 Cb 0.00 -2.12 0.09 0.00 -0.63 0.00 0.00 43.02 40.37 1d5m s PHE 122 CO 0.00 -0.12 0.81 -0.47 -0.05 0.00 0.00 175.22 175.39 1d5m s TYR 123 N -2.48 -0.78 0.69 3.49 5.04 -0.53 -0.49 117.35 122.30 1d5m s TYR 123 Ca 0.44 1.72 -0.12 0.00 -2.44 0.00 0.00 57.07 56.67 1d5m s TYR 123 Cb -0.10 0.41 0.17 0.00 0.35 0.00 0.00 41.96 42.79 1d5m s TYR 123 CO 0.38 -0.38 0.76 -0.35 -1.34 0.00 0.00 175.55 174.62 1d5m n PRO 124 N 3.21 -1.61 -0.11 4.97 -0.04 -1.25 -0.40 135.00 139.77 1d5m n PRO 124 Ca -0.16 -1.19 -0.03 0.00 -0.04 0.00 0.00 63.50 62.08 1d5m n PRO 124 Cb 0.57 -0.94 0.20 0.00 -0.04 0.00 0.00 33.50 33.28 1d5m n PRO 124 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1d5m h GLY 125 N -1.51 0.84 -5.82 0.55 0.00 -1.98 -3.44 103.07 91.71 1d5m h GLY 125 Ca -0.26 -0.49 -0.62 0.00 0.00 0.00 0.00 47.33 45.95 1d5m h GLY 125 CO 0.18 0.46 1.10 -1.14 0.00 0.00 0.00 176.54 177.14 1d5m n SER 126 N -4.27 3.38 -3.52 0.19 3.41 -1.26 -4.94 113.62 106.61 1d5m n SER 126 Ca 0.03 0.96 -0.13 0.00 -0.26 0.00 0.00 58.87 59.48 1d5m n SER 126 Cb 0.23 -1.36 -0.04 0.00 -0.26 0.00 0.00 64.21 62.79 1d5m n SER 126 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1d5m s ILE 127 N 4.17 0.02 -0.13 -1.33 2.07 -1.26 -4.43 121.20 120.31 1d5m s ILE 127 Ca 0.94 -0.18 0.00 0.00 -1.41 0.00 0.00 60.65 60.00 1d5m s ILE 127 Cb -0.71 -1.02 0.02 0.00 0.13 0.00 0.00 42.46 40.88 1d5m s ILE 127 CO 0.52 -0.10 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.64 1d5m s GLU 128 N -3.05 1.91 -0.18 3.50 2.12 -0.16 -4.99 118.70 117.85 1d5m s GLU 128 Ca -0.02 -0.41 0.01 0.00 0.36 0.00 0.00 54.97 54.91 1d5m s GLU 128 Cb -0.00 -1.83 0.04 0.00 0.26 0.00 0.00 34.13 32.59 1d5m s GLU 128 CO -0.07 -0.24 -0.12 0.08 -0.54 0.00 0.00 175.26 174.38 1d5m s VAL 129 N 1.56 1.63 0.08 3.70 1.01 -1.26 -0.71 120.40 126.41 1d5m s VAL 129 Ca 0.04 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1d5m s VAL 129 Cb -0.13 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1d5m s VAL 129 CO -0.09 0.27 -0.15 -0.13 0.00 0.00 0.00 175.10 175.00 1d5m s ARG 130 N 1.42 0.88 -0.13 2.72 0.52 -0.20 -4.97 118.95 119.19 1d5m s ARG 130 Ca 0.01 -1.02 -0.05 0.00 -0.52 0.00 0.00 55.73 54.15 1d5m s ARG 130 Cb -0.15 -0.90 -0.04 0.00 0.52 0.00 0.00 34.95 34.38 1d5m s ARG 130 CO -0.09 0.20 0.03 -1.58 0.02 0.00 0.00 175.30 173.88 1d5m s TRP 131 N -1.40 3.21 0.04 -0.53 0.52 -1.26 -0.42 118.94 119.10 1d5m s TRP 131 Ca 0.01 0.11 0.07 0.00 0.02 0.00 0.00 56.10 56.30 1d5m s TRP 131 Cb -0.09 -1.93 -0.02 0.00 -1.15 0.00 0.00 33.47 30.28 1d5m s TRP 131 CO 0.03 0.31 -0.20 -0.06 0.02 0.00 0.00 176.95 177.04 1d5m s PHE 132 N -0.27 1.77 -0.25 -1.98 0.40 0.11 0.29 117.98 118.04 1d5m s PHE 132 Ca 0.07 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 1d5m s PHE 132 Cb -0.12 -1.06 0.06 0.00 0.51 0.00 0.00 43.02 42.41 1d5m s PHE 132 CO 0.02 0.08 -0.05 0.50 0.70 0.00 0.00 175.22 176.47 1d5m s ARG 133 N -1.13 1.71 -1.29 0.44 3.52 0.51 -0.63 118.95 122.07 1d5m s ARG 133 Ca 0.07 -1.12 -0.03 0.00 -0.13 0.00 0.00 55.73 54.52 1d5m s ARG 133 Cb -0.09 -2.67 -0.00 0.00 -1.56 0.00 0.00 34.95 30.63 1d5m s ARG 133 CO 0.02 -0.63 0.67 0.09 -0.81 0.00 0.00 175.30 174.64 1d5m n ASN 134 N 4.60 -1.81 0.00 -2.12 3.02 -0.83 -1.93 115.26 116.19 1d5m n ASN 134 Ca -0.11 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1d5m n ASN 134 Cb 0.43 -3.83 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1d5m n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d5m n GLY 135 N -1.65 1.31 3.53 7.41 0.00 -1.26 -4.99 105.19 109.54 1d5m n GLY 135 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1d5m n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d5m s GLN 136 N -0.16 3.41 0.44 1.61 -1.52 -0.81 -5.07 119.66 117.55 1d5m s GLN 136 Ca 0.00 -0.52 -0.24 0.00 -1.95 0.00 0.00 55.36 52.65 1d5m s GLN 136 Cb 0.00 -2.83 -0.08 0.00 -0.22 0.00 0.00 33.01 29.89 1d5m s GLN 136 CO 0.00 0.37 1.17 -2.00 -0.25 0.00 0.00 175.29 174.58 1d5m s GLU 137 N -0.00 3.87 -0.45 2.91 2.12 -1.26 -0.36 118.70 125.52 1d5m s GLU 137 Ca 0.01 1.80 -0.16 0.00 0.36 0.00 0.00 54.97 56.98 1d5m s GLU 137 Cb -0.13 -2.51 0.05 0.00 0.26 0.00 0.00 34.13 31.80 1d5m s GLU 137 CO 0.03 -0.47 0.39 -1.21 -0.54 0.00 0.00 175.26 173.46 1d5m s GLU 138 N -2.55 2.99 -0.05 4.30 0.41 0.15 -4.85 118.70 119.10 1d5m s GLU 138 Ca 0.61 -1.19 0.18 0.00 -0.41 0.00 0.00 54.97 54.16 1d5m s GLU 138 Cb -0.29 -4.08 -0.22 0.00 -1.78 0.00 0.00 34.13 27.75 1d5m s GLU 138 CO 0.36 -0.95 0.48 1.63 -0.49 0.00 0.00 175.26 176.29 1d5m n LYS 139 N 5.28 0.65 -4.07 1.61 4.76 -1.26 -4.54 118.16 120.59 1d5m n LYS 139 Ca -0.11 0.06 -0.31 0.00 -2.87 0.00 0.00 58.31 55.07 1d5m n LYS 139 Cb 0.45 -1.65 -0.07 0.00 -1.84 0.00 0.00 35.03 31.93 1d5m n LYS 139 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1d5m s THR 140 N -2.88 4.63 0.00 -0.18 -4.23 -1.26 -4.48 115.64 107.23 1d5m s THR 140 Ca -0.07 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1d5m s THR 140 Cb 0.09 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1d5m s THR 140 CO 0.84 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.74 1d5m n GLY 141 N 0.74 0.47 3.58 3.99 0.00 -1.26 -4.84 105.19 107.86 1d5m n GLY 141 Ca -0.10 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1d5m n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d5m s VAL 142 N -2.00 4.45 -0.09 1.61 1.01 -1.26 -0.81 120.40 123.31 1d5m s VAL 142 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1d5m s VAL 142 Cb 0.00 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1d5m s VAL 142 CO 0.00 0.47 -0.11 0.68 0.00 0.00 0.00 175.10 176.15 1d5m s VAL 143 N 0.35 1.13 0.02 2.92 -7.23 -0.40 -4.98 120.40 112.21 1d5m s VAL 143 Ca 0.00 -0.43 0.04 0.00 -1.81 0.00 0.00 61.98 59.78 1d5m s VAL 143 Cb -0.13 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 1d5m s VAL 143 CO 0.01 0.37 -0.06 -0.55 -0.31 0.00 0.00 175.10 174.55 1d5m s SER 144 N 1.05 4.64 0.38 4.85 0.15 -1.26 -0.52 113.70 123.00 1d5m s SER 144 Ca -0.07 -0.16 0.21 0.00 0.70 0.00 0.00 55.95 56.62 1d5m s SER 144 Cb -0.15 -1.07 0.59 0.00 -1.71 0.00 0.00 66.02 63.68 1d5m s SER 144 CO -0.01 0.27 1.68 0.00 1.20 0.00 0.00 173.24 176.38 1d5m h THR 145 N 3.64 0.65 0.00 6.45 1.03 -1.35 -3.49 112.91 119.83 1d5m h THR 145 Ca -0.48 -1.50 0.00 0.00 -0.01 0.00 0.00 66.41 64.42 1d5m h THR 145 Cb 1.17 2.00 0.00 0.00 -1.07 0.00 0.00 68.15 70.25 1d5m h THR 145 CO 0.54 0.31 0.00 0.61 -0.01 0.00 0.00 175.52 176.97 1d5m n GLY 146 N 0.56 -4.18 3.69 2.99 0.00 -1.26 -4.93 105.19 102.06 1d5m n GLY 146 Ca 0.01 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1d5m n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d5m s LEU 147 N 0.00 4.27 -0.23 0.99 2.96 -1.26 -4.39 118.68 121.02 1d5m s LEU 147 Ca 0.00 1.72 -0.02 0.00 -0.22 0.00 0.00 54.13 55.61 1d5m s LEU 147 Cb 0.00 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.15 1d5m s LEU 147 CO 0.00 -0.53 -0.07 -0.63 -1.32 0.00 0.00 176.35 173.80 1d5m s ILE 148 N 2.08 2.94 -0.39 6.68 1.01 0.12 -4.99 121.20 128.65 1d5m s ILE 148 Ca 0.53 -0.85 -0.25 0.00 0.00 0.00 0.00 60.65 60.09 1d5m s ILE 148 Cb -0.23 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.84 1d5m s ILE 148 CO 0.21 0.31 0.88 -1.58 0.00 0.00 0.00 174.94 174.75 1d5m s GLN 149 N 1.37 3.73 0.11 2.79 0.74 -1.26 -1.14 119.66 126.00 1d5m s GLN 149 Ca 0.03 0.38 0.20 0.00 0.05 0.00 0.00 55.36 56.02 1d5m s GLN 149 Cb -0.15 -3.84 0.81 0.00 1.10 0.00 0.00 33.01 30.94 1d5m s GLN 149 CO -0.05 -0.98 1.61 0.09 -0.55 0.00 0.00 175.29 175.41 1d5m n ASN 150 N 6.74 0.30 0.00 6.67 3.02 -0.58 -4.90 115.26 126.52 1d5m n ASN 150 Ca 0.05 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.17 1d5m n ASN 150 Cb 0.48 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1d5m n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d5m n GLY 151 N 0.19 1.27 1.12 7.41 0.00 -1.26 -4.89 105.19 109.02 1d5m n GLY 151 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1d5m n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1d5m n ASP 152 N 0.00 2.83 -2.42 1.61 5.75 -1.26 -4.94 116.55 118.12 1d5m n ASP 152 Ca 0.00 -3.85 -0.17 0.00 -0.01 0.00 0.00 54.79 50.77 1d5m n ASP 152 Cb 0.00 -0.51 0.04 0.00 -1.03 0.00 0.00 41.12 39.62 1d5m n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1d5m n TRP 153 N -1.01 -1.65 -3.87 2.11 7.02 -1.26 -5.03 117.44 113.75 1d5m n TRP 153 Ca 0.29 0.50 -0.10 0.00 -1.02 0.00 0.00 57.50 57.17 1d5m n TRP 153 Cb 0.82 -3.68 -0.08 0.00 -2.42 0.00 0.00 31.31 25.95 1d5m n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1d5m s THR 154 N -3.08 0.13 0.37 -0.99 -4.23 -1.26 -4.73 115.64 101.84 1d5m s THR 154 Ca 0.29 -1.03 0.05 0.00 -1.18 0.00 0.00 61.69 59.82 1d5m s THR 154 Cb -0.13 -1.06 -0.07 0.00 1.34 0.00 0.00 72.50 72.59 1d5m s THR 154 CO 0.36 -0.57 0.04 -0.36 -0.54 0.00 0.00 174.62 173.54 1d5m s PHE 155 N -3.00 2.23 0.09 3.99 0.40 0.35 -1.53 117.98 120.51 1d5m s PHE 155 Ca -0.02 -0.82 -0.12 0.00 -0.60 0.00 0.00 56.93 55.37 1d5m s PHE 155 Cb 0.01 -1.52 0.01 0.00 0.51 0.00 0.00 43.02 42.03 1d5m s PHE 155 CO -0.06 0.22 0.28 1.14 0.70 0.00 0.00 175.22 177.50 1d5m s GLN 156 N -3.80 0.90 -0.23 0.44 -2.07 -0.30 -1.05 119.66 113.54 1d5m s GLN 156 Ca 0.35 -0.76 -0.26 0.00 -1.82 0.00 0.00 55.36 52.87 1d5m s GLN 156 Cb 0.09 0.38 0.07 0.00 -1.09 0.00 0.00 33.01 32.47 1d5m s GLN 156 CO 0.17 -0.31 0.73 0.95 -1.32 0.00 0.00 175.29 175.51 1d5m s THR 157 N -3.47 0.00 -0.18 3.63 -4.23 -0.16 -0.70 115.64 110.53 1d5m s THR 157 Ca 0.02 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1d5m s THR 157 Cb 0.02 -1.00 -0.00 0.00 1.34 0.00 0.00 72.50 72.86 1d5m s THR 157 CO -0.09 0.00 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.10 1d5m s LEU 158 N 0.09 2.58 -0.20 4.79 1.43 -1.26 -1.28 118.68 124.84 1d5m s LEU 158 Ca -0.02 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1d5m s LEU 158 Cb -0.04 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.59 1d5m s LEU 158 CO 0.02 0.05 -0.17 -0.69 0.23 0.00 0.00 176.35 175.79 1d5m s VAL 159 N 1.03 2.17 0.06 -1.59 1.01 -0.43 -0.78 120.40 121.87 1d5m s VAL 159 Ca -0.01 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 60.99 1d5m s VAL 159 Cb -0.15 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1d5m s VAL 159 CO -0.02 0.44 -0.02 -0.04 0.00 0.00 0.00 175.10 175.46 1d5m s MET 160 N 1.27 2.55 -0.13 2.72 -1.94 0.32 -0.48 119.30 123.62 1d5m s MET 160 Ca 0.03 -0.80 0.03 0.00 -1.71 0.00 0.00 55.69 53.24 1d5m s MET 160 Cb -0.14 -2.54 0.01 0.00 2.01 0.00 0.00 34.83 34.17 1d5m s MET 160 CO -0.11 0.56 -0.22 -1.17 -0.01 0.00 0.00 175.02 174.07 1d5m s LEU 161 N -2.06 2.09 -0.12 -0.03 2.96 0.13 -1.27 118.68 120.38 1d5m s LEU 161 Ca 0.23 -0.59 -0.29 0.00 -0.22 0.00 0.00 54.13 53.27 1d5m s LEU 161 Cb -0.12 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 1d5m s LEU 161 CO 0.15 0.09 0.97 -1.61 -1.32 0.00 0.00 176.35 174.64 1d5m s GLU 162 N 0.72 4.39 0.10 1.98 2.02 0.01 -0.75 118.70 127.17 1d5m s GLU 162 Ca -0.09 1.32 -0.05 0.00 0.02 0.00 0.00 54.97 56.16 1d5m s GLU 162 Cb -0.16 -3.55 -0.02 0.00 0.10 0.00 0.00 34.13 30.50 1d5m s GLU 162 CO 0.00 -0.33 0.12 0.95 0.02 0.00 0.00 175.26 176.02 1d5m s THR 163 N 2.08 0.15 -0.54 3.63 -4.23 -0.55 -4.92 115.64 111.25 1d5m s THR 163 Ca 0.46 -1.52 0.07 0.00 -1.18 0.00 0.00 61.69 59.52 1d5m s THR 163 Cb -0.18 -1.59 0.24 0.00 1.34 0.00 0.00 72.50 72.32 1d5m s THR 163 CO 0.16 -0.67 0.64 0.52 -0.54 0.00 0.00 174.62 174.73 1d5m n VAL 164 N -0.04 1.08 -1.67 2.29 0.31 -1.26 -0.77 118.33 118.27 1d5m n VAL 164 Ca -0.12 -4.70 -0.45 0.00 -0.01 0.00 0.00 64.34 59.06 1d5m n VAL 164 Cb 0.62 -2.04 -0.03 0.00 -0.91 0.00 0.00 33.84 31.49 1d5m n VAL 164 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1d5m n PRO 165 N 1.19 2.03 -4.38 5.55 -0.02 -1.26 -5.03 135.00 133.08 1d5m n PRO 165 Ca 0.26 0.72 -0.21 0.00 -2.02 0.00 0.00 63.50 62.26 1d5m n PRO 165 Cb 0.45 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.41 1d5m n PRO 165 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1d5m s ARG 166 N -0.20 0.99 0.23 -0.52 1.70 -1.26 -5.07 118.95 114.81 1d5m s ARG 166 Ca 0.70 -0.80 -0.29 0.00 -0.47 0.00 0.00 55.73 54.87 1d5m s ARG 166 Cb -0.66 -1.01 -0.16 0.00 -0.57 0.00 0.00 34.95 32.55 1d5m s ARG 166 CO 0.48 0.25 0.81 0.45 -1.08 0.00 0.00 175.30 176.21 1d5m n SER 167 N 1.84 0.15 0.00 -2.89 2.88 -1.26 -2.14 113.62 112.20 1d5m n SER 167 Ca -0.18 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1d5m n SER 167 Cb 0.54 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1d5m n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d5m n GLY 168 N 1.65 3.24 3.76 0.46 0.00 -1.26 -5.04 105.19 108.00 1d5m n GLY 168 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1d5m n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1d5m s GLU 169 N -0.54 4.66 -0.26 1.61 2.02 -0.91 -4.97 118.70 120.30 1d5m s GLU 169 Ca 0.00 1.66 -0.00 0.00 0.02 0.00 0.00 54.97 56.64 1d5m s GLU 169 Cb 0.00 -3.13 0.04 0.00 0.10 0.00 0.00 34.13 31.14 1d5m s GLU 169 CO 0.00 0.27 -0.07 0.08 0.02 0.00 0.00 175.26 175.57 1d5m s VAL 170 N -1.24 2.66 -0.08 2.63 1.01 -1.26 -3.29 120.40 120.83 1d5m s VAL 170 Ca 0.45 -1.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 1d5m s VAL 170 Cb -0.29 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1d5m s VAL 170 CO 0.36 0.08 0.34 -0.31 0.00 0.00 0.00 175.10 175.58 1d5m s TYR 171 N 1.24 3.61 -0.04 5.22 1.51 0.08 -1.96 117.35 127.01 1d5m s TYR 171 Ca -0.03 0.80 0.02 0.00 -1.01 0.00 0.00 57.07 56.85 1d5m s TYR 171 Cb -0.18 -2.28 0.01 0.00 -0.11 0.00 0.00 41.96 39.40 1d5m s TYR 171 CO -0.04 0.48 -0.09 0.99 -1.11 0.00 0.00 175.55 175.78 1d5m s THR 172 N -0.42 0.84 -0.26 -0.71 2.01 0.19 0.63 115.64 117.92 1d5m s THR 172 Ca 0.21 -0.34 -0.09 0.00 0.31 0.00 0.00 61.69 61.78 1d5m s THR 172 Cb -0.15 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1d5m s THR 172 CO 0.09 0.28 0.12 0.00 -0.69 0.00 0.00 174.62 174.42 1d5m s GLN 174 N 1.66 3.68 -0.07 0.00 0.74 0.44 -1.56 119.66 124.55 1d5m s GLN 174 Ca 0.07 -0.51 0.05 0.00 0.05 0.00 0.00 55.36 55.01 1d5m s GLN 174 Cb -0.15 -2.93 -0.01 0.00 1.10 0.00 0.00 33.01 31.02 1d5m s GLN 174 CO 0.07 0.24 -0.24 0.08 -0.55 0.00 0.00 175.29 174.89 1d5m s VAL 175 N 0.36 2.01 -0.08 1.34 1.01 0.66 -1.03 120.40 124.67 1d5m s VAL 175 Ca -0.04 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.94 1d5m s VAL 175 Cb -0.14 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.53 1d5m s VAL 175 CO 0.03 0.56 -0.16 -1.61 0.00 0.00 0.00 175.10 173.92 1d5m s GLU 176 N 0.07 2.13 -0.03 2.72 2.02 0.12 0.53 118.70 126.25 1d5m s GLU 176 Ca -0.10 -0.56 -0.06 0.00 0.02 0.00 0.00 54.97 54.27 1d5m s GLU 176 Cb -0.15 -1.70 0.01 0.00 0.10 0.00 0.00 34.13 32.38 1d5m s GLU 176 CO 0.06 0.06 0.14 -1.58 0.02 0.00 0.00 175.26 173.96 1d5m s HIS 177 N 0.61 -0.07 -0.01 1.61 2.46 -1.26 -0.98 115.29 117.65 1d5m s HIS 177 Ca -0.15 0.17 0.23 0.00 0.47 0.00 0.00 55.06 55.78 1d5m s HIS 177 Cb -0.16 0.01 1.24 0.00 -0.13 0.00 0.00 32.58 33.54 1d5m s HIS 177 CO 0.05 -0.17 1.67 -1.00 -2.47 0.00 0.00 174.74 172.82 1d5m h PRO 178 N 5.20 0.00 0.00 2.88 0.13 -1.95 -1.63 132.00 136.64 1d5m h PRO 178 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1d5m h PRO 178 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1d5m h PRO 178 CO 0.41 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.84 1d5m h SER 179 N 0.00 0.00 -3.53 1.44 4.64 -1.90 -3.46 113.55 110.75 1d5m h SER 179 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 1d5m h SER 179 Cb 0.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.11 1d5m h SER 179 CO 0.00 0.00 -0.72 0.68 -0.87 0.00 0.00 176.83 175.92 1d5m s VAL 180 N -3.23 3.54 0.06 0.95 -7.23 -0.61 -4.85 120.40 109.01 1d5m s VAL 180 Ca 0.07 -1.15 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 1d5m s VAL 180 Cb 0.07 -2.64 -0.28 0.00 0.56 0.00 0.00 36.38 34.08 1d5m s VAL 180 CO 0.64 0.15 1.08 0.74 -0.31 0.00 0.00 175.10 177.39 1d5m h THR 181 N 3.24 1.42 -2.81 5.32 2.02 -1.89 -3.45 112.91 116.77 1d5m h THR 181 Ca -0.48 -3.00 -0.61 0.00 0.77 0.00 0.00 66.41 63.08 1d5m h THR 181 Cb 1.17 2.91 -0.12 0.00 -1.74 0.00 0.00 68.15 70.36 1d5m h THR 181 CO 0.54 0.87 -0.69 -0.44 0.37 0.00 0.00 175.52 176.17 1d5m s SER 182 N -7.12 4.43 0.62 4.18 0.01 -1.26 -5.12 113.70 109.44 1d5m s SER 182 Ca -0.05 -0.55 -0.16 0.00 1.31 0.00 0.00 55.95 56.50 1d5m s SER 182 Cb 0.07 -0.81 -0.02 0.00 0.21 0.00 0.00 66.02 65.46 1d5m s SER 182 CO 0.88 0.08 1.09 -2.84 0.41 0.00 0.00 173.24 172.86 1d5m s PRO 183 N -3.02 3.07 -0.11 12.44 0.02 -1.26 -4.84 135.00 141.30 1d5m s PRO 183 Ca 0.27 1.36 -0.07 0.00 0.02 0.00 0.00 61.00 62.58 1d5m s PRO 183 Cb -0.08 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1d5m s PRO 183 CO 0.17 -1.03 0.14 -0.51 -0.33 0.00 0.00 177.00 175.44 1d5m s LEU 184 N -4.56 4.39 -0.06 -5.54 1.43 0.19 -4.93 118.68 109.60 1d5m s LEU 184 Ca 0.67 0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 54.23 1d5m s LEU 184 Cb -0.19 -2.11 0.03 0.00 0.03 0.00 0.00 46.19 43.94 1d5m s LEU 184 CO 0.37 0.40 -0.01 -0.89 0.23 0.00 0.00 176.35 176.45 1d5m s THR 185 N -1.05 0.39 -0.07 5.49 2.01 -1.26 -0.24 115.64 120.90 1d5m s THR 185 Ca 0.16 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.22 1d5m s THR 185 Cb -0.12 -0.50 0.01 0.00 0.01 0.00 0.00 72.50 71.91 1d5m s THR 185 CO 0.05 0.23 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.40 1d5m s VAL 186 N 1.47 1.17 0.19 3.82 1.01 -0.60 -4.98 120.40 122.48 1d5m s VAL 186 Ca -0.03 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1d5m s VAL 186 Cb -0.13 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1d5m s VAL 186 CO -0.03 0.37 -0.12 -1.83 0.00 0.00 0.00 175.10 173.49 1d5m s GLU 187 N 0.77 1.97 -0.06 2.72 -1.05 -1.26 -0.09 118.70 121.71 1d5m s GLU 187 Ca -0.12 -1.35 0.00 0.00 -0.15 0.00 0.00 54.97 53.35 1d5m s GLU 187 Cb -0.15 -2.09 0.02 0.00 -0.44 0.00 0.00 34.13 31.47 1d5m s GLU 187 CO 0.02 0.42 -0.04 -0.46 0.95 0.00 0.00 175.26 176.15 1d5m s TRP 188 N -1.79 0.86 0.14 4.83 -0.00 0.21 -4.98 118.94 118.22 1d5m s TRP 188 Ca 0.25 -0.28 0.06 0.00 -0.00 0.00 0.00 56.10 56.13 1d5m s TRP 188 Cb -0.08 -0.79 -0.04 0.00 -0.00 0.00 0.00 33.47 32.56 1d5m s TRP 188 CO 0.15 -0.26 0.01 1.03 -0.00 0.00 0.00 176.95 177.87 1d5m s ARG 189 N 1.21 2.49 0.00 5.86 0.52 -1.26 -0.74 118.95 127.02 1d5m s ARG 189 Ca -0.06 -1.00 0.11 0.00 -0.52 0.00 0.00 55.73 54.27 1d5m s ARG 189 Cb -0.14 -2.44 0.68 0.00 0.52 0.00 0.00 34.95 33.57 1d5m s ARG 189 CO -0.02 0.49 1.11 0.00 0.02 0.00 0.00 175.30 176.90