#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6a s ARG 6 N 0.00 2.59 -0.12 0.54 3.00 -1.26 -5.14 118.95 118.57 1a6a s ARG 6 Ca 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 55.73 54.29 1a6a s ARG 6 Cb 0.00 -2.35 0.04 0.00 0.00 0.00 0.00 34.95 32.64 1a6a s ARG 6 CO 0.00 0.16 0.28 -0.06 0.00 0.00 0.00 175.30 175.69 1a6a s PHE 7 N -2.33 -0.37 0.00 -0.53 0.08 -1.26 -5.12 117.98 108.46 1a6a s PHE 7 Ca 0.38 0.87 0.03 0.00 0.12 0.00 0.00 56.93 58.33 1a6a s PHE 7 Cb -0.05 0.10 -0.01 0.00 -0.57 0.00 0.00 43.02 42.49 1a6a s PHE 7 CO 0.24 -0.23 -0.10 -1.17 -0.10 0.00 0.00 175.22 173.86 1a6a s LEU 8 N 1.00 2.06 -0.01 -0.37 2.96 -1.26 -5.04 118.68 118.03 1a6a s LEU 8 Ca -0.07 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 1a6a s LEU 8 Cb -0.08 -0.48 -0.01 0.00 0.50 0.00 0.00 46.19 46.12 1a6a s LEU 8 CO -0.07 0.08 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.20 1a6a s GLU 9 N -0.49 1.09 -0.16 1.98 2.56 -1.26 -0.55 118.70 121.87 1a6a s GLU 9 Ca 0.02 -0.50 -0.07 0.00 0.00 0.00 0.00 54.97 54.42 1a6a s GLU 9 Cb -0.05 -1.06 0.07 0.00 2.00 0.00 0.00 34.13 35.09 1a6a s GLU 9 CO -0.00 0.29 0.36 -0.47 -0.56 0.00 0.00 175.26 174.88 1a6a s TYR 10 N -0.34 -0.60 0.24 5.30 6.14 -0.85 -5.01 117.35 122.23 1a6a s TYR 10 Ca 0.05 1.25 0.08 0.00 0.64 0.00 0.00 57.07 59.09 1a6a s TYR 10 Cb -0.05 0.19 -0.04 0.00 0.42 0.00 0.00 41.96 42.48 1a6a s TYR 10 CO -0.00 -0.38 0.09 -1.12 0.64 0.00 0.00 175.55 174.77 1a6a s SER 11 N 2.03 5.04 -0.19 4.32 0.01 -1.26 -1.26 113.70 122.39 1a6a s SER 11 Ca -0.05 -0.42 -0.07 0.00 1.31 0.00 0.00 55.95 56.72 1a6a s SER 11 Cb -0.11 -1.14 0.09 0.00 0.21 0.00 0.00 66.02 65.07 1a6a s SER 11 CO -0.11 -0.00 0.42 -0.89 0.41 0.00 0.00 173.24 173.06 1a6a s THR 12 N -2.15 -0.56 -0.16 1.44 2.01 -0.50 -5.01 115.64 110.71 1a6a s THR 12 Ca 0.32 0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.44 1a6a s THR 12 Cb -0.08 -0.66 -0.02 0.00 0.01 0.00 0.00 72.50 71.75 1a6a s THR 12 CO 0.22 0.07 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.73 1a6a s SER 13 N 2.44 4.66 -0.03 3.53 0.01 -1.26 -0.48 113.70 122.57 1a6a s SER 13 Ca -0.03 -0.19 0.05 0.00 1.31 0.00 0.00 55.95 57.10 1a6a s SER 13 Cb -0.11 -1.76 -0.01 0.00 0.21 0.00 0.00 66.02 64.34 1a6a s SER 13 CO -0.13 0.14 -0.19 -1.61 0.41 0.00 0.00 173.24 171.86 1a6a s GLU 14 N 0.53 1.76 -0.28 12.44 2.02 0.38 -4.93 118.70 130.62 1a6a s GLU 14 Ca -0.04 -0.68 0.03 0.00 0.02 0.00 0.00 54.97 54.30 1a6a s GLU 14 Cb -0.14 -1.60 0.07 0.00 0.10 0.00 0.00 34.13 32.55 1a6a s GLU 14 CO 0.03 0.35 -0.05 0.00 0.02 0.00 0.00 175.26 175.61 1a6a s HIS 16 N 1.14 3.22 -0.48 0.00 3.76 -0.27 -4.90 115.29 117.76 1a6a s HIS 16 Ca -0.03 -1.03 -0.23 0.00 -0.15 0.00 0.00 55.06 53.63 1a6a s HIS 16 Cb -0.19 -3.47 0.03 0.00 1.11 0.00 0.00 32.58 30.06 1a6a s HIS 16 CO -0.07 -0.92 0.79 -0.06 -0.85 0.00 0.00 174.74 173.63 1a6a s PHE 17 N 1.76 2.96 -0.35 1.40 0.08 -1.26 -1.20 117.98 121.37 1a6a s PHE 17 Ca 0.05 0.04 -0.15 0.00 0.12 0.00 0.00 56.93 56.99 1a6a s PHE 17 Cb -0.26 -3.70 -0.01 0.00 -0.57 0.00 0.00 43.02 38.48 1a6a s PHE 17 CO 0.06 -1.05 0.32 -0.06 -0.10 0.00 0.00 175.22 174.39 1a6a s PHE 18 N 3.31 3.22 -0.73 0.36 0.08 0.38 -4.48 117.98 120.12 1a6a s PHE 18 Ca 0.28 -0.14 -0.01 0.00 0.12 0.00 0.00 56.93 57.18 1a6a s PHE 18 Cb -0.13 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.70 1a6a s PHE 18 CO 0.21 -0.44 0.69 0.09 -0.10 0.00 0.00 175.22 175.67 1a6a n ASN 19 N 5.30 -7.57 0.00 1.36 4.13 -1.26 -2.74 115.26 114.47 1a6a n ASN 19 Ca -0.10 -0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.05 1a6a n ASN 19 Cb 0.49 -5.02 0.00 0.00 -1.54 0.00 0.00 39.78 33.71 1a6a n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1a6a n GLY 20 N -1.68 1.49 1.30 7.41 0.00 -1.26 -2.54 105.19 109.91 1a6a n GLY 20 Ca -0.02 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.49 1a6a n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a6a n THR 21 N 0.00 1.94 0.00 2.61 -2.24 -1.26 -4.64 114.28 110.68 1a6a n THR 21 Ca 0.00 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.41 1a6a n THR 21 Cb 0.00 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1a6a n THR 21 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1a6a n GLU 22 N 0.55 0.00 -4.70 -0.78 2.13 -1.05 -4.63 120.64 112.15 1a6a n GLU 22 Ca 0.23 0.61 -0.33 0.00 0.66 0.00 0.00 57.16 58.32 1a6a n GLU 22 Cb 0.86 -1.42 -0.12 0.00 0.27 0.00 0.00 31.44 31.03 1a6a n GLU 22 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1a6a s ARG 23 N -2.68 2.79 0.10 5.31 3.52 -1.11 -5.01 118.95 121.88 1a6a s ARG 23 Ca 0.00 -0.60 0.07 0.00 -0.13 0.00 0.00 55.73 55.07 1a6a s ARG 23 Cb 0.00 -2.55 -0.03 0.00 -1.56 0.00 0.00 34.95 30.80 1a6a s ARG 23 CO 0.00 0.59 -0.19 0.08 -0.81 0.00 0.00 175.30 174.97 1a6a s VAL 24 N -0.62 1.56 -0.24 7.11 1.01 -1.26 -0.47 120.40 127.50 1a6a s VAL 24 Ca 0.09 -1.55 -0.03 0.00 0.00 0.00 0.00 61.98 60.49 1a6a s VAL 24 Cb -0.11 -1.48 0.08 0.00 0.00 0.00 0.00 36.38 34.86 1a6a s VAL 24 CO 0.02 -0.15 0.08 -0.60 0.00 0.00 0.00 175.10 174.44 1a6a s ARG 25 N -2.03 0.43 0.14 2.72 3.52 -0.35 -4.92 118.95 118.46 1a6a s ARG 25 Ca 0.06 -0.51 -0.21 0.00 -0.13 0.00 0.00 55.73 54.94 1a6a s ARG 25 Cb -0.09 -1.79 -0.07 0.00 -1.56 0.00 0.00 34.95 31.44 1a6a s ARG 25 CO 0.04 -0.81 0.67 -0.47 -0.81 0.00 0.00 175.30 173.92 1a6a s TYR 26 N 1.93 3.79 -0.04 5.12 5.04 -1.25 -1.11 117.35 130.83 1a6a s TYR 26 Ca 0.04 1.40 -0.02 0.00 -2.44 0.00 0.00 57.07 56.05 1a6a s TYR 26 Cb -0.17 -2.60 0.03 0.00 0.35 0.00 0.00 41.96 39.57 1a6a s TYR 26 CO -0.19 0.49 0.06 -1.17 -1.34 0.00 0.00 175.55 173.40 1a6a s LEU 27 N -1.40 0.20 -0.44 6.97 2.96 0.41 -0.53 118.68 126.86 1a6a s LEU 27 Ca 0.35 0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 54.28 1a6a s LEU 27 Cb -0.20 -0.12 0.11 0.00 0.50 0.00 0.00 46.19 46.48 1a6a s LEU 27 CO 0.22 -0.24 0.28 -0.62 -1.32 0.00 0.00 176.35 174.66 1a6a s ASP 28 N 2.09 5.51 -0.06 3.68 2.15 0.12 -0.47 116.67 129.69 1a6a s ASP 28 Ca 0.04 -1.91 -0.05 0.00 0.43 0.00 0.00 52.55 51.06 1a6a s ASP 28 Cb -0.12 -1.93 -0.04 0.00 -0.30 0.00 0.00 42.92 40.53 1a6a s ASP 28 CO -0.03 -0.61 0.17 -0.13 -0.17 0.00 0.00 175.17 174.40 1a6a s ARG 29 N 1.28 3.45 -0.13 4.34 1.81 0.37 -1.01 118.95 129.06 1a6a s ARG 29 Ca 0.06 -0.20 0.01 0.00 -1.72 0.00 0.00 55.73 53.88 1a6a s ARG 29 Cb -0.24 -3.14 0.02 0.00 -0.45 0.00 0.00 34.95 31.13 1a6a s ARG 29 CO -0.02 0.73 -0.15 0.71 -0.68 0.00 0.00 175.30 175.89 1a6a s TYR 30 N -1.17 2.10 -0.14 -0.53 1.51 -0.82 -1.41 117.35 116.89 1a6a s TYR 30 Ca 0.21 -1.08 0.01 0.00 -1.01 0.00 0.00 57.07 55.20 1a6a s TYR 30 Cb -0.12 -1.52 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 1a6a s TYR 30 CO 0.11 -0.57 -0.17 -0.06 -1.11 0.00 0.00 175.55 173.76 1a6a s PHE 31 N 1.19 2.31 -0.13 2.71 0.40 -0.39 -0.04 117.98 124.03 1a6a s PHE 31 Ca -0.02 -1.24 -0.03 0.00 -0.60 0.00 0.00 56.93 55.04 1a6a s PHE 31 Cb -0.14 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 1a6a s PHE 31 CO -0.06 -0.64 -0.05 -1.58 0.70 0.00 0.00 175.22 173.60 1a6a s HIS 32 N 1.23 3.00 -1.32 0.36 2.46 0.95 -2.01 115.29 119.96 1a6a s HIS 32 Ca 0.00 -0.24 -0.23 0.00 0.47 0.00 0.00 55.06 55.07 1a6a s HIS 32 Cb -0.14 -1.90 0.03 0.00 -0.13 0.00 0.00 32.58 30.45 1a6a s HIS 32 CO -0.08 0.04 0.47 0.09 -2.47 0.00 0.00 174.74 172.80 1a6a n ASN 33 N 3.22 -2.50 0.00 9.88 4.13 0.29 -0.79 115.26 129.50 1a6a n ASN 33 Ca -0.18 -1.27 0.00 0.00 1.68 0.00 0.00 54.58 54.81 1a6a n ASN 33 Cb 0.53 -1.76 0.00 0.00 -1.54 0.00 0.00 39.78 37.00 1a6a n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a6a n GLN 34 N -4.87 0.00 -4.04 3.52 6.02 -1.26 -4.97 117.38 111.79 1a6a n GLN 34 Ca -0.18 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.46 1a6a n GLN 34 Cb 0.61 -2.76 -0.11 0.00 1.02 0.00 0.00 30.24 29.00 1a6a n GLN 34 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1a6a s GLU 35 N -0.11 3.83 0.17 -1.09 2.12 0.03 -5.06 118.70 118.58 1a6a s GLU 35 Ca 0.00 -0.42 -0.30 0.00 0.36 0.00 0.00 54.97 54.62 1a6a s GLU 35 Cb 0.00 -3.18 -0.07 0.00 0.26 0.00 0.00 34.13 31.14 1a6a s GLU 35 CO 0.00 0.15 0.94 -2.00 -0.54 0.00 0.00 175.26 173.81 1a6a s GLU 36 N 0.68 4.76 -0.08 4.30 2.12 -1.26 -0.04 118.70 129.18 1a6a s GLU 36 Ca 0.02 1.44 0.01 0.00 0.36 0.00 0.00 54.97 56.81 1a6a s GLU 36 Cb -0.13 -3.33 -0.06 0.00 0.26 0.00 0.00 34.13 30.86 1a6a s GLU 36 CO 0.02 0.36 -0.06 0.09 -0.54 0.00 0.00 175.26 175.13 1a6a n ASN 37 N 2.19 3.34 -4.18 -1.70 5.03 0.94 -4.34 115.26 116.55 1a6a n ASN 37 Ca 0.00 -0.04 -0.11 0.00 0.87 0.00 0.00 54.58 55.30 1a6a n ASN 37 Cb 0.48 -0.01 -0.10 0.00 -1.02 0.00 0.00 39.78 39.13 1a6a n ASN 37 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1a6a s VAL 38 N -2.17 0.42 -0.27 2.41 1.01 -1.22 -1.27 120.40 119.31 1a6a s VAL 38 Ca -0.10 -1.92 -0.25 0.00 0.00 0.00 0.00 61.98 59.70 1a6a s VAL 38 Cb 0.03 -1.93 0.10 0.00 0.00 0.00 0.00 36.38 34.57 1a6a s VAL 38 CO 0.21 -0.62 0.87 0.00 0.00 0.00 0.00 175.10 175.56 1a6a s ARG 39 N -3.95 0.68 -0.36 2.72 1.70 -0.64 -1.94 118.95 117.16 1a6a s ARG 39 Ca 0.19 0.80 -0.07 0.00 -0.47 0.00 0.00 55.73 56.19 1a6a s ARG 39 Cb 0.07 0.33 0.06 0.00 -0.57 0.00 0.00 34.95 34.83 1a6a s ARG 39 CO -0.00 -0.08 0.15 0.12 -1.08 0.00 0.00 175.30 174.40 1a6a s PHE 40 N 0.29 3.30 -0.27 5.89 2.19 -0.18 -1.70 117.98 127.50 1a6a s PHE 40 Ca 0.01 -1.55 -0.10 0.00 0.33 0.00 0.00 56.93 55.62 1a6a s PHE 40 Cb -0.05 -2.52 -0.05 0.00 -1.31 0.00 0.00 43.02 39.09 1a6a s PHE 40 CO -0.02 -0.78 0.17 0.34 1.83 0.00 0.00 175.22 176.75 1a6a s ASP 41 N 1.61 5.87 0.23 6.13 -1.08 -1.26 0.14 116.67 128.31 1a6a s ASP 41 Ca 0.00 -0.04 -0.06 0.00 -0.52 0.00 0.00 52.55 51.94 1a6a s ASP 41 Cb -0.21 -2.08 0.40 0.00 -1.46 0.00 0.00 42.92 39.57 1a6a s ASP 41 CO 0.02 -0.04 1.74 0.77 0.52 0.00 0.00 175.17 178.17 1a6a h SER 42 N 8.29 0.26 0.29 -0.34 4.64 -1.17 0.15 113.55 125.67 1a6a h SER 42 Ca -0.36 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1a6a h SER 42 Cb 1.19 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1a6a h SER 42 CO 0.56 0.12 0.00 0.44 -0.87 0.00 0.00 176.83 177.08 1a6a h ASP 43 N 0.44 0.00 0.00 4.97 5.19 -1.93 -2.84 116.42 122.26 1a6a h ASP 43 Ca 0.38 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.44 1a6a h ASP 43 Cb 0.54 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.00 1a6a h ASP 43 CO -0.37 0.00 -1.89 0.52 -3.12 0.00 0.00 179.24 174.38 1a6a n VAL 44 N -2.73 1.54 -0.12 -1.35 0.31 0.38 -5.02 118.33 111.35 1a6a n VAL 44 Ca -0.01 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1a6a n VAL 44 Cb 0.12 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 1a6a n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6a n GLY 45 N 1.40 0.61 3.09 2.92 0.00 -0.30 -5.05 105.19 107.86 1a6a n GLY 45 Ca -0.43 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 1a6a n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a6a s GLU 46 N -0.79 0.50 0.12 1.61 2.02 -1.26 -5.00 118.70 115.90 1a6a s GLU 46 Ca 0.00 -0.61 -0.31 0.00 0.02 0.00 0.00 54.97 54.07 1a6a s GLU 46 Cb 0.00 0.20 -0.08 0.00 0.10 0.00 0.00 34.13 34.35 1a6a s GLU 46 CO 0.00 -0.12 1.43 -0.06 0.02 0.00 0.00 175.26 176.54 1a6a s PHE 47 N -1.99 3.19 -0.08 1.61 0.40 -1.26 -4.30 117.98 115.54 1a6a s PHE 47 Ca -0.10 0.87 0.03 0.00 -0.60 0.00 0.00 56.93 57.12 1a6a s PHE 47 Cb -0.05 -3.74 0.01 0.00 0.51 0.00 0.00 43.02 39.75 1a6a s PHE 47 CO -0.02 -2.65 -0.15 1.03 0.70 0.00 0.00 175.22 174.13 1a6a s ARG 48 N 1.14 2.08 -0.02 0.44 1.81 -0.69 -4.81 118.95 118.89 1a6a s ARG 48 Ca 0.66 -0.54 -0.27 0.00 -1.72 0.00 0.00 55.73 53.86 1a6a s ARG 48 Cb -0.38 -1.66 -0.04 0.00 -0.45 0.00 0.00 34.95 32.42 1a6a s ARG 48 CO 0.30 0.06 0.84 0.00 -0.68 0.00 0.00 175.30 175.82 1a6a s ALA 49 N 0.61 3.26 -0.01 2.13 0.00 -1.26 -1.62 121.76 124.86 1a6a s ALA 49 Ca -0.15 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.03 1a6a s ALA 49 Cb -0.16 -3.14 -0.32 0.00 0.00 0.00 0.00 23.12 19.50 1a6a s ALA 49 CO 0.05 -0.14 0.82 -0.39 0.00 0.00 0.00 175.76 176.10 1a6a h VAL 50 N 4.70 1.10 -1.98 0.00 -1.51 -1.49 -3.47 116.25 113.59 1a6a h VAL 50 Ca -0.41 -2.63 -0.59 0.00 -1.23 0.00 0.00 66.70 61.85 1a6a h VAL 50 Cb 1.21 2.87 -0.11 0.00 -2.13 0.00 0.00 31.29 33.13 1a6a h VAL 50 CO 0.75 0.84 -0.64 0.42 -1.23 0.00 0.00 177.57 177.71 1a6a s THR 51 N -2.59 2.69 -1.00 7.19 -4.23 -1.15 -5.02 115.64 111.53 1a6a s THR 51 Ca -0.12 -2.02 0.16 0.00 -1.18 0.00 0.00 61.69 58.52 1a6a s THR 51 Cb 0.05 -2.75 0.13 0.00 1.34 0.00 0.00 72.50 71.28 1a6a s THR 51 CO 0.89 -0.24 1.51 -0.62 -0.54 0.00 0.00 174.62 175.61 1a6a n GLU 52 N -0.91 0.00 0.08 3.99 1.02 -1.26 -2.31 120.64 121.26 1a6a n GLU 52 Ca -0.05 0.23 -0.04 0.00 -0.02 0.00 0.00 57.16 57.28 1a6a n GLU 52 Cb 0.62 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.46 1a6a n GLU 52 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1a6a h LEU 53 N 0.00 0.00 -2.41 -4.62 5.85 -1.95 -3.27 115.31 108.90 1a6a h LEU 53 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1a6a h LEU 53 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1a6a h LEU 53 CO 0.00 0.86 0.00 0.61 -0.34 0.00 0.00 178.44 179.57 1a6a n GLY 54 N 1.32 2.03 0.07 3.75 0.00 -0.98 -4.28 105.19 107.10 1a6a n GLY 54 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 1a6a n GLY 54 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a6a h ARG 55 N 3.49 0.00 -0.35 1.61 0.11 -1.61 -3.05 114.38 114.58 1a6a h ARG 55 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1a6a h ARG 55 Cb 1.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.07 1a6a h ARG 55 CO 0.09 0.94 0.23 -1.35 0.10 0.00 0.00 179.97 179.98 1a6a h PRO 56 N 0.00 0.46 0.34 0.08 0.11 -1.82 -0.91 132.00 130.25 1a6a h PRO 56 Ca -0.03 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1a6a h PRO 56 Cb 1.76 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.77 1a6a h PRO 56 CO 0.12 0.30 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.61 1a6a h ASP 57 N 0.47 -0.38 -0.86 -2.05 3.32 -1.86 -2.45 116.42 112.61 1a6a h ASP 57 Ca 0.13 0.01 0.18 0.00 0.02 0.00 0.00 57.03 57.37 1a6a h ASP 57 Cb -0.05 0.10 -0.11 0.00 0.22 0.00 0.00 39.33 39.49 1a6a h ASP 57 CO -0.03 0.00 0.40 0.00 -1.72 0.00 0.00 179.24 177.90 1a6a h ALA 58 N -1.24 1.34 -0.03 3.45 0.00 -1.49 0.24 119.26 121.54 1a6a h ALA 58 Ca -0.05 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1a6a h ALA 58 Cb 0.35 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1a6a h ALA 58 CO 0.08 -0.23 -0.34 1.49 0.00 0.00 0.00 179.25 180.26 1a6a h GLU 59 N 0.50 -0.46 0.48 0.00 4.81 -1.22 -0.04 114.58 118.65 1a6a h GLU 59 Ca 0.51 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.74 1a6a h GLU 59 Cb 0.85 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1a6a h GLU 59 CO -0.45 -0.30 -0.23 -0.92 -0.73 0.00 0.00 179.01 176.38 1a6a h TYR 60 N -0.47 -0.59 -0.38 0.92 3.20 -0.59 -2.88 116.97 116.18 1a6a h TYR 60 Ca 0.07 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.03 1a6a h TYR 60 Cb 0.57 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 1a6a h TYR 60 CO -0.37 -0.27 0.48 -1.49 -1.64 0.00 0.00 178.16 174.87 1a6a h TRP 61 N -0.96 0.00 0.02 -3.82 6.55 -0.55 0.30 115.95 117.50 1a6a h TRP 61 Ca -0.07 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 59.57 1a6a h TRP 61 Cb 0.59 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.88 1a6a h TRP 61 CO 0.01 0.00 -0.95 -0.91 -1.05 0.00 0.00 178.44 175.54 1a6a h ASN 62 N 0.00 0.20 -0.48 -3.49 2.35 -0.79 -3.19 115.58 110.18 1a6a h ASN 62 Ca 0.18 -0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1a6a h ASN 62 Cb 1.13 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 1a6a h ASN 62 CO -0.00 1.03 -0.10 0.77 -1.65 0.00 0.00 177.43 177.49 1a6a h SER 63 N 0.07 0.92 -2.73 5.81 4.64 -0.23 -3.39 113.55 118.64 1a6a h SER 63 Ca -0.05 -0.35 -0.56 0.00 -0.47 0.00 0.00 61.79 60.36 1a6a h SER 63 Cb 1.62 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 63.42 1a6a h SER 63 CO 0.14 1.06 1.22 -1.10 -0.87 0.00 0.00 176.83 177.27 1a6a s GLN 64 N -4.84 3.27 0.26 4.77 -1.52 -1.01 -4.84 119.66 115.75 1a6a s GLN 64 Ca -0.12 1.05 0.05 0.00 -1.95 0.00 0.00 55.36 54.39 1a6a s GLN 64 Cb 0.12 -4.18 0.32 0.00 -0.22 0.00 0.00 33.01 29.05 1a6a s GLN 64 CO 0.84 -1.94 1.61 0.87 -0.25 0.00 0.00 175.29 176.42 1a6a h LYS 65 N 12.47 0.23 -0.76 2.91 1.79 -1.83 -2.73 116.57 128.65 1a6a h LYS 65 Ca -0.30 -0.14 0.03 0.00 -2.18 0.00 0.00 60.65 58.06 1a6a h LYS 65 Cb 1.14 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.76 1a6a h LYS 65 CO 1.09 0.71 0.49 0.38 -1.08 0.00 0.00 179.45 181.05 1a6a h ASP 66 N 0.18 0.81 -0.52 0.86 2.03 -1.93 -1.74 116.42 116.11 1a6a h ASP 66 Ca 0.00 -0.01 -0.10 0.00 -0.73 0.00 0.00 57.03 56.20 1a6a h ASP 66 Cb 1.01 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 39.30 1a6a h ASP 66 CO 0.08 0.57 -0.05 -0.07 -1.03 0.00 0.00 179.24 178.75 1a6a h LEU 67 N 0.96 0.97 0.36 0.15 3.38 -1.81 -2.58 115.31 116.74 1a6a h LEU 67 Ca 0.30 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1a6a h LEU 67 Cb -0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1a6a h LEU 67 CO -0.10 1.05 -0.23 -0.07 0.09 0.00 0.00 178.44 179.18 1a6a h LEU 68 N 0.89 -0.58 -2.13 1.67 -0.00 -1.03 -1.86 115.31 112.28 1a6a h LEU 68 Ca 0.15 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 58.06 1a6a h LEU 68 Cb 0.58 0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 41.41 1a6a h LEU 68 CO 0.04 -0.35 -0.03 -0.33 -0.00 0.00 0.00 178.44 177.76 1a6a h GLU 69 N -0.56 0.00 -0.17 1.13 4.39 -1.56 0.24 114.58 118.06 1a6a h GLU 69 Ca -0.05 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.70 1a6a h GLU 69 Cb 0.45 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.05 1a6a h GLU 69 CO 0.05 0.03 -0.12 0.37 -1.16 0.00 0.00 179.01 178.18 1a6a h GLN 70 N 0.00 -0.12 -0.00 2.33 4.15 -1.12 0.58 115.11 120.92 1a6a h GLN 70 Ca -0.00 0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.24 1a6a h GLN 70 Cb 0.07 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1a6a h GLN 70 CO 0.00 -0.08 -0.85 0.87 -1.93 0.00 0.00 178.83 176.84 1a6a h LYS 71 N -0.12 0.17 -0.48 1.69 1.79 -0.38 -3.27 116.57 115.97 1a6a h LYS 71 Ca 0.10 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 1a6a h LYS 71 Cb 0.28 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 1a6a h LYS 71 CO -0.25 0.92 0.13 0.00 -1.08 0.00 0.00 179.45 179.18 1a6a h ARG 72 N 0.10 0.71 0.00 3.15 3.08 0.28 -2.05 114.38 119.64 1a6a h ARG 72 Ca -0.04 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1a6a h ARG 72 Cb 1.47 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1a6a h ARG 72 CO 0.13 0.63 0.00 0.41 -1.07 0.00 0.00 179.97 180.06 1a6a n GLY 73 N -0.99 -1.12 0.15 0.04 0.00 0.11 -3.65 105.19 99.73 1a6a n GLY 73 Ca 0.03 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1a6a n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a6a n ARG 74 N -1.33 0.17 0.23 1.61 1.74 -0.77 0.08 116.66 118.38 1a6a n ARG 74 Ca 0.10 0.53 0.09 0.00 -0.77 0.00 0.00 57.85 57.80 1a6a n ARG 74 Cb 0.21 -1.92 0.54 0.00 -1.02 0.00 0.00 32.46 30.26 1a6a n ARG 74 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1a6a h VAL 75 N 0.00 0.79 0.00 1.55 2.07 -1.78 0.40 116.25 119.29 1a6a h VAL 75 Ca 0.00 -0.94 -0.20 0.00 0.82 0.00 0.00 66.70 66.38 1a6a h VAL 75 Cb 0.19 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1a6a h VAL 75 CO 0.00 0.23 -1.56 0.47 0.02 0.00 0.00 177.57 176.73 1a6a n ASP 76 N -3.72 1.21 -0.35 0.57 8.00 -0.34 -1.50 116.55 120.43 1a6a n ASP 76 Ca -0.01 0.20 0.14 0.00 0.71 0.00 0.00 54.79 55.83 1a6a n ASP 76 Cb 0.35 -0.48 0.34 0.00 -0.02 0.00 0.00 41.12 41.30 1a6a n ASP 76 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1a6a h ASN 77 N -0.56 0.75 0.00 -2.24 2.35 -0.47 -2.79 115.58 112.62 1a6a h ASN 77 Ca -0.30 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1a6a h ASN 77 Cb 1.16 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1a6a h ASN 77 CO -0.18 0.25 -0.89 0.00 -1.65 0.00 0.00 177.43 174.95 1a6a n TYR 78 N -4.76 0.00 0.03 1.19 4.19 -0.88 -4.53 117.16 112.39 1a6a n TYR 78 Ca 0.24 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.44 1a6a n TYR 78 Cb 0.61 0.04 -0.00 0.00 0.49 0.00 0.00 39.34 40.47 1a6a n TYR 78 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a6a h ARG 80 N -0.08 0.47 0.47 0.00 3.08 -1.38 -2.30 114.38 114.65 1a6a h ARG 80 Ca -0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1a6a h ARG 80 Cb 0.05 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1a6a h ARG 80 CO 0.01 0.31 -0.24 1.25 -1.07 0.00 0.00 179.97 180.23 1a6a h HIS 81 N 0.49 -0.64 -0.58 3.04 2.76 -1.50 -2.42 115.15 116.30 1a6a h HIS 81 Ca 0.20 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.50 1a6a h HIS 81 Cb 0.19 0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 1a6a h HIS 81 CO -0.00 -0.38 0.40 -0.91 -1.30 0.00 0.00 177.93 175.74 1a6a h ASN 82 N -0.65 0.12 0.89 3.26 2.35 -1.21 -1.57 115.58 118.76 1a6a h ASN 82 Ca -0.06 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 1a6a h ASN 82 Cb 0.51 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.87 1a6a h ASN 82 CO 0.09 0.06 -0.43 0.22 -1.65 0.00 0.00 177.43 175.73 1a6a h TYR 83 N 0.13 -1.10 -0.00 1.19 3.20 -1.34 -1.23 116.97 117.82 1a6a h TYR 83 Ca 0.28 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1a6a h TYR 83 Cb 0.92 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 39.55 1a6a h TYR 83 CO -0.00 -0.68 0.01 0.78 -1.64 0.00 0.00 178.16 176.62 1a6a h GLY 84 N -1.24 0.00 1.53 1.82 0.00 -0.81 0.71 103.07 105.09 1a6a h GLY 84 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.93 1a6a h GLY 84 CO 0.20 0.00 -1.24 -2.08 0.00 0.00 0.00 176.54 173.42 1a6a h VAL 85 N 0.00 1.44 0.00 4.60 2.07 -1.07 -3.37 116.25 119.91 1a6a h VAL 85 Ca 0.00 -2.87 0.00 0.00 0.82 0.00 0.00 66.70 64.65 1a6a h VAL 85 Cb 0.01 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1a6a h VAL 85 CO -0.00 0.85 -1.23 1.33 0.02 0.00 0.00 177.57 178.54 1a6a n VAL 86 N -3.61 0.00 -0.36 2.57 0.24 -0.49 -4.61 118.33 112.07 1a6a n VAL 86 Ca -0.10 -0.23 0.28 0.00 -2.04 0.00 0.00 64.34 62.25 1a6a n VAL 86 Cb 1.01 0.62 0.54 0.00 -1.47 0.00 0.00 33.84 34.53 1a6a n VAL 86 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1a6a h GLU 87 N 0.00 0.24 0.00 7.34 4.81 0.22 -2.35 114.58 124.84 1a6a h GLU 87 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1a6a h GLU 87 Cb 0.57 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1a6a h GLU 87 CO 0.00 0.16 0.00 0.43 -0.73 0.00 0.00 179.01 178.87 1a6a n SER 88 N -4.89 0.00 0.00 1.04 7.64 -1.26 -1.47 113.62 114.67 1a6a n SER 88 Ca 0.33 0.91 0.13 0.00 1.01 0.00 0.00 58.87 61.25 1a6a n SER 88 Cb 1.12 -0.41 0.73 0.00 -1.01 0.00 0.00 64.21 64.64 1a6a n SER 88 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1a6a n PHE 89 N -2.06 0.00 0.00 1.43 -1.74 -1.03 -3.30 117.46 110.75 1a6a n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1a6a n PHE 89 Cb 0.00 -0.10 0.00 0.00 1.52 0.00 0.00 39.48 40.90 1a6a n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1a6a n THR 90 N -1.10 0.00 -0.17 1.97 -2.24 -0.91 -4.47 114.28 107.35 1a6a n THR 90 Ca 0.17 0.00 0.26 0.00 -2.27 0.00 0.00 64.05 62.21 1a6a n THR 90 Cb 0.13 -0.76 0.68 0.00 -2.10 0.00 0.00 70.33 68.28 1a6a n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1a6a h VAL 91 N 0.00 0.59 -0.40 2.28 2.07 -1.54 0.05 116.25 119.30 1a6a h VAL 91 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1a6a h VAL 91 Cb 0.00 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1a6a h VAL 91 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1a6a n GLN 92 N -4.33 3.53 -2.57 1.57 1.13 -0.54 -4.98 117.38 111.20 1a6a n GLN 92 Ca 0.18 -2.85 -0.41 0.00 -1.94 0.00 0.00 57.00 51.98 1a6a n GLN 92 Cb 0.88 -1.90 -0.04 0.00 0.11 0.00 0.00 30.24 29.30 1a6a n GLN 92 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1a6a s ARG 93 N -2.49 4.58 -0.04 -1.09 3.52 0.00 -4.93 118.95 118.51 1a6a s ARG 93 Ca 0.45 1.63 -0.02 0.00 -0.13 0.00 0.00 55.73 57.66 1a6a s ARG 93 Cb 0.34 -3.33 0.03 0.00 -1.56 0.00 0.00 34.95 30.42 1a6a s ARG 93 CO 0.13 0.03 0.06 1.03 -0.81 0.00 0.00 175.30 175.75 1a6a s ARG 94 N 0.13 -0.08 -0.06 5.12 1.81 -1.25 -3.96 118.95 120.67 1a6a s ARG 94 Ca 0.51 0.38 0.03 0.00 -1.72 0.00 0.00 55.73 54.93 1a6a s ARG 94 Cb -0.27 -0.50 0.01 0.00 -0.45 0.00 0.00 34.95 33.73 1a6a s ARG 94 CO 0.32 -0.33 -0.15 0.08 -0.68 0.00 0.00 175.30 174.54 1a6a s VAL 95 N 2.16 1.29 0.06 3.52 1.01 0.10 -4.94 120.40 123.60 1a6a s VAL 95 Ca 0.05 -0.60 -0.32 0.00 0.00 0.00 0.00 61.98 61.11 1a6a s VAL 95 Cb -0.12 -1.14 -0.11 0.00 0.00 0.00 0.00 36.38 35.01 1a6a s VAL 95 CO -0.03 0.38 1.86 1.41 0.00 0.00 0.00 175.10 178.72 1a6a n HIS 96 N 3.50 2.50 -2.64 5.22 8.25 -1.26 -2.80 115.22 127.99 1a6a n HIS 96 Ca -0.20 -0.14 -0.34 0.00 -0.26 0.00 0.00 57.72 56.78 1a6a n HIS 96 Cb 0.52 -2.72 -0.05 0.00 1.12 0.00 0.00 29.99 28.87 1a6a n HIS 96 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1a6a s PRO 97 N 3.27 3.99 -0.30 -0.41 0.04 -1.26 -3.98 135.00 136.35 1a6a s PRO 97 Ca 0.86 1.29 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1a6a s PRO 97 Cb -0.53 -2.18 0.06 0.00 0.04 0.00 0.00 34.50 31.89 1a6a s PRO 97 CO 0.42 -0.26 -0.02 0.21 0.04 0.00 0.00 177.00 177.39 1a6a s LYS 98 N -3.12 2.25 0.06 4.56 2.20 0.21 -4.89 119.74 121.00 1a6a s LYS 98 Ca 0.64 -1.39 -0.22 0.00 -0.36 0.00 0.00 55.97 54.64 1a6a s LYS 98 Cb -0.14 -3.11 -0.06 0.00 -1.51 0.00 0.00 37.83 33.00 1a6a s LYS 98 CO 0.18 -0.66 0.65 0.08 -0.36 0.00 0.00 175.35 175.24 1a6a s VAL 99 N 1.16 4.73 -0.25 4.02 1.01 -1.26 -1.42 120.40 128.38 1a6a s VAL 99 Ca -0.04 1.39 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 1a6a s VAL 99 Cb -0.20 -3.99 0.13 0.00 0.00 0.00 0.00 36.38 32.32 1a6a s VAL 99 CO -0.03 0.47 0.31 -0.89 0.00 0.00 0.00 175.10 174.96 1a6a s THR 100 N -0.62 -0.47 -0.06 3.92 2.01 -0.93 -4.99 115.64 114.50 1a6a s THR 100 Ca 0.33 -0.25 -0.21 0.00 0.31 0.00 0.00 61.69 61.87 1a6a s THR 100 Cb -0.20 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1a6a s THR 100 CO 0.20 -0.28 0.59 -0.69 -0.69 0.00 0.00 174.62 173.76 1a6a s VAL 101 N 2.43 5.04 -0.17 3.82 1.01 -1.26 -1.26 120.40 130.00 1a6a s VAL 101 Ca 0.10 1.21 -0.28 0.00 0.00 0.00 0.00 61.98 63.01 1a6a s VAL 101 Cb -0.15 -3.93 0.08 0.00 0.00 0.00 0.00 36.38 32.38 1a6a s VAL 101 CO -0.22 0.34 0.74 -0.72 0.00 0.00 0.00 175.10 175.25 1a6a s TYR 102 N 0.34 -0.68 0.06 5.22 1.13 0.75 -4.99 117.35 119.17 1a6a s TYR 102 Ca 0.31 1.44 -0.30 0.00 -1.41 0.00 0.00 57.07 57.11 1a6a s TYR 102 Cb -0.17 0.35 -0.05 0.00 -1.10 0.00 0.00 41.96 40.99 1a6a s TYR 102 CO 0.15 -0.46 1.13 -1.25 -2.51 0.00 0.00 175.55 172.61 1a6a s PRO 103 N -0.40 4.49 0.36 -3.49 0.04 -1.26 -0.37 135.00 134.36 1a6a s PRO 103 Ca -0.05 1.67 0.27 0.00 0.04 0.00 0.00 61.00 62.93 1a6a s PRO 103 Cb -0.03 -3.37 1.05 0.00 0.04 0.00 0.00 34.50 32.20 1a6a s PRO 103 CO 0.04 -0.16 1.80 0.66 0.04 0.00 0.00 177.00 179.38 1a6a h SER 104 N 6.60 0.00 -3.75 6.66 4.64 -1.60 -3.43 113.55 122.68 1a6a h SER 104 Ca -0.42 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.62 1a6a h SER 104 Cb 1.22 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.01 1a6a h SER 104 CO 0.78 0.00 -0.74 -0.54 -0.87 0.00 0.00 176.83 175.47 1a6a s LYS 105 N -3.40 0.19 -1.29 4.77 1.02 -1.26 -5.05 119.74 114.72 1a6a s LYS 105 Ca 0.04 -0.05 -0.16 0.00 0.02 0.00 0.00 55.97 55.83 1a6a s LYS 105 Cb 0.09 -0.22 0.11 0.00 -0.52 0.00 0.00 37.83 37.28 1a6a s LYS 105 CO 0.48 0.01 1.70 0.25 -0.92 0.00 0.00 175.35 176.87 1a6a n THR 106 N 3.24 4.02 -2.57 2.17 -2.24 -1.26 -4.92 114.28 112.72 1a6a n THR 106 Ca -0.15 -4.22 -0.23 0.00 -2.27 0.00 0.00 64.05 57.18 1a6a n THR 106 Cb 0.57 -2.41 0.04 0.00 -2.10 0.00 0.00 70.33 66.43 1a6a n THR 106 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1a6a s GLN 107 N 3.03 2.58 1.36 -0.78 -0.21 -1.26 -5.10 119.66 119.28 1a6a s GLN 107 Ca 0.49 -0.54 -0.20 0.00 0.02 0.00 0.00 55.36 55.13 1a6a s GLN 107 Cb 0.03 -2.40 0.35 0.00 1.00 0.00 0.00 33.01 31.98 1a6a s GLN 107 CO 0.03 -0.76 0.95 -2.14 -2.12 0.00 0.00 175.29 171.25 1a6a s PRO 108 N -4.86 -2.44 0.48 2.91 0.02 -1.26 -4.85 135.00 125.00 1a6a s PRO 108 Ca 0.56 0.36 0.31 0.00 0.02 0.00 0.00 61.00 62.25 1a6a s PRO 108 Cb -0.10 -1.42 1.42 0.00 0.02 0.00 0.00 34.50 34.42 1a6a s PRO 108 CO 0.40 -4.61 1.74 1.37 -0.33 0.00 0.00 177.00 175.58 1a6a h LEU 109 N -3.23 0.17 -6.51 -5.54 -0.00 -1.92 -3.36 115.31 94.91 1a6a h LEU 109 Ca -0.50 0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 57.38 1a6a h LEU 109 Cb 1.34 0.02 -0.26 0.00 -0.00 0.00 0.00 40.66 41.77 1a6a h LEU 109 CO 0.35 -0.00 -0.36 -1.10 -0.00 0.00 0.00 178.44 177.33 1a6a s GLN 110 N -5.16 0.43 0.19 0.17 -0.21 -1.26 -3.93 119.66 109.89 1a6a s GLN 110 Ca -0.07 0.86 -0.24 0.00 0.02 0.00 0.00 55.36 55.94 1a6a s GLN 110 Cb 0.25 0.12 0.06 0.00 1.00 0.00 0.00 33.01 34.44 1a6a s GLN 110 CO 0.81 -0.51 0.93 -1.58 -2.12 0.00 0.00 175.29 172.82 1a6a s HIS 111 N 2.68 -0.09 -0.74 0.91 2.46 -1.26 -5.04 115.29 114.22 1a6a s HIS 111 Ca 0.10 -0.27 -0.26 0.00 0.47 0.00 0.00 55.06 55.11 1a6a s HIS 111 Cb -0.14 0.67 -0.11 0.00 -0.13 0.00 0.00 32.58 32.86 1a6a s HIS 111 CO -0.17 -0.94 2.35 -3.38 -2.47 0.00 0.00 174.74 170.14 1a6a s HIS 112 N -3.16 1.20 0.10 3.88 -3.43 -1.26 -4.15 115.29 108.46 1a6a s HIS 112 Ca 0.14 1.76 0.06 0.00 -0.80 0.00 0.00 55.06 56.22 1a6a s HIS 112 Cb -0.02 -3.53 -0.04 0.00 -1.43 0.00 0.00 32.58 27.55 1a6a s HIS 112 CO 0.04 -1.79 -0.03 1.21 -2.00 0.00 0.00 174.74 172.17 1a6a s ASN 113 N 10.82 4.83 -0.22 7.38 2.47 -1.17 -4.96 114.94 134.08 1a6a s ASN 113 Ca 0.91 -0.25 -0.03 0.00 0.42 0.00 0.00 52.86 53.92 1a6a s ASN 113 Cb -0.13 -1.08 0.01 0.00 -1.45 0.00 0.00 41.25 38.59 1a6a s ASN 113 CO 0.11 0.17 -0.07 -0.76 -3.72 0.00 0.00 177.10 172.83 1a6a s LEU 114 N -2.30 2.84 -0.52 3.21 1.43 -1.26 0.10 118.68 122.19 1a6a s LEU 114 Ca 0.24 -0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 1a6a s LEU 114 Cb -0.11 -1.68 0.08 0.00 0.03 0.00 0.00 46.19 44.51 1a6a s LEU 114 CO 0.17 -0.05 0.56 -0.76 0.23 0.00 0.00 176.35 176.51 1a6a s LEU 115 N 1.41 5.44 -0.11 1.79 1.43 0.57 -1.38 118.68 127.83 1a6a s LEU 115 Ca 0.04 -1.29 -0.30 0.00 -1.03 0.00 0.00 54.13 51.56 1a6a s LEU 115 Cb -0.15 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 1a6a s LEU 115 CO -0.05 -0.87 1.08 -0.69 0.23 0.00 0.00 176.35 176.04 1a6a s VAL 116 N 2.22 4.60 -0.47 -1.59 1.01 0.50 -1.01 120.40 125.67 1a6a s VAL 116 Ca 0.09 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.97 1a6a s VAL 116 Cb -0.23 -4.22 0.12 0.00 0.00 0.00 0.00 36.38 32.05 1a6a s VAL 116 CO 0.08 -0.02 0.23 0.00 0.00 0.00 0.00 175.10 175.39 1a6a s SER 118 N 0.85 6.38 -0.33 0.00 1.04 -0.39 -2.45 113.70 118.80 1a6a s SER 118 Ca 0.13 -0.22 -0.17 0.00 0.48 0.00 0.00 55.95 56.16 1a6a s SER 118 Cb -0.22 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.49 1a6a s SER 118 CO -0.04 -1.01 0.48 -0.69 0.98 0.00 0.00 173.24 172.96 1a6a s VAL 119 N 3.45 5.06 0.28 5.02 1.01 0.23 -2.20 120.40 133.25 1a6a s VAL 119 Ca 0.29 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1a6a s VAL 119 Cb -0.13 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1a6a s VAL 119 CO 0.21 -0.12 0.04 -0.55 0.00 0.00 0.00 175.10 174.68 1a6a s SER 120 N 1.72 2.00 0.00 3.32 0.15 -0.51 -0.28 113.70 120.10 1a6a s SER 120 Ca 0.18 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.51 1a6a s SER 120 Cb -0.16 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1a6a s SER 120 CO 0.12 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1a6a n GLY 121 N -0.55 2.26 3.35 9.45 0.00 -0.10 0.66 105.19 120.26 1a6a n GLY 121 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1a6a n GLY 121 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1a6a n PHE 122 N -1.05 -1.34 -3.65 1.61 -1.74 -1.24 -4.28 117.46 105.76 1a6a n PHE 122 Ca 0.00 0.12 0.01 0.00 -0.56 0.00 0.00 57.45 57.02 1a6a n PHE 122 Cb 0.00 -1.64 -0.06 0.00 1.52 0.00 0.00 39.48 39.30 1a6a n PHE 122 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1a6a s TYR 123 N -2.31 -0.24 0.32 2.97 6.14 -1.12 -0.88 117.35 122.23 1a6a s TYR 123 Ca 0.58 0.49 -0.05 0.00 0.64 0.00 0.00 57.07 58.73 1a6a s TYR 123 Cb -0.16 0.16 0.08 0.00 0.42 0.00 0.00 41.96 42.46 1a6a s TYR 123 CO 0.66 -0.12 0.22 -0.35 0.64 0.00 0.00 175.55 176.60 1a6a n PRO 124 N 3.26 -2.16 0.08 4.97 -0.04 -1.25 -0.72 135.00 139.13 1a6a n PRO 124 Ca -0.17 -0.37 -0.10 0.00 -0.04 0.00 0.00 63.50 62.82 1a6a n PRO 124 Cb 0.57 -0.41 -0.03 0.00 -0.04 0.00 0.00 33.50 33.58 1a6a n PRO 124 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1a6a h GLY 125 N -1.35 0.26 -5.63 0.55 0.00 -1.98 -3.45 103.07 91.46 1a6a h GLY 125 Ca -0.09 -0.48 -0.66 0.00 0.00 0.00 0.00 47.33 46.10 1a6a h GLY 125 CO 0.06 0.43 0.80 1.44 0.00 0.00 0.00 176.54 179.27 1a6a n SER 126 N -3.64 2.60 -3.71 0.19 7.64 -1.26 -4.93 113.62 110.50 1a6a n SER 126 Ca -0.04 1.06 -0.04 0.00 1.01 0.00 0.00 58.87 60.86 1a6a n SER 126 Cb 0.84 -1.28 -0.01 0.00 -1.01 0.00 0.00 64.21 62.75 1a6a n SER 126 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1a6a s ILE 127 N 2.21 0.00 -0.02 0.44 2.07 -1.26 -4.37 121.20 120.27 1a6a s ILE 127 Ca 0.89 -0.55 0.01 0.00 -1.41 0.00 0.00 60.65 59.59 1a6a s ILE 127 Cb -0.86 -1.81 0.01 0.00 0.13 0.00 0.00 42.46 39.93 1a6a s ILE 127 CO 0.51 0.00 -0.03 -1.61 -1.91 0.00 0.00 174.94 171.90 1a6a s GLU 128 N -3.27 0.40 -0.33 3.50 2.02 -0.14 -5.02 118.70 115.87 1a6a s GLU 128 Ca 0.11 -0.05 -0.01 0.00 0.02 0.00 0.00 54.97 55.03 1a6a s GLU 128 Cb -0.01 -0.47 0.11 0.00 0.10 0.00 0.00 34.13 33.86 1a6a s GLU 128 CO 0.00 -0.03 0.15 0.08 0.02 0.00 0.00 175.26 175.49 1a6a s VAL 129 N 0.51 0.46 -0.05 2.63 1.01 -1.26 -1.47 120.40 122.22 1a6a s VAL 129 Ca -0.05 -1.41 -0.07 0.00 0.00 0.00 0.00 61.98 60.44 1a6a s VAL 129 Cb -0.09 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1a6a s VAL 129 CO -0.01 -0.80 0.22 -0.13 0.00 0.00 0.00 175.10 174.38 1a6a s ARG 130 N 1.48 3.53 -0.09 2.72 0.52 -0.55 -4.98 118.95 121.59 1a6a s ARG 130 Ca 0.13 -0.09 -0.05 0.00 -0.52 0.00 0.00 55.73 55.20 1a6a s ARG 130 Cb -0.19 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1a6a s ARG 130 CO -0.20 0.71 0.12 -1.58 0.02 0.00 0.00 175.30 174.37 1a6a s TRP 131 N -1.18 3.49 0.04 -0.53 0.23 -1.26 -1.67 118.94 118.06 1a6a s TRP 131 Ca 0.22 0.41 -0.05 0.00 -2.03 0.00 0.00 56.10 54.66 1a6a s TRP 131 Cb -0.13 -1.88 -0.01 0.00 0.03 0.00 0.00 33.47 31.48 1a6a s TRP 131 CO 0.12 0.66 0.08 -0.06 0.96 0.00 0.00 176.95 178.70 1a6a s PHE 132 N -1.06 0.25 -0.04 -1.98 0.40 -0.12 -1.94 117.98 113.48 1a6a s PHE 132 Ca 0.17 -0.59 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1a6a s PHE 132 Cb -0.12 -0.17 0.03 0.00 0.51 0.00 0.00 43.02 43.27 1a6a s PHE 132 CO 0.07 -0.37 0.06 0.50 0.70 0.00 0.00 175.22 176.18 1a6a s ARG 133 N -2.82 -0.07 -1.02 0.44 3.52 0.43 -1.41 118.95 118.02 1a6a s ARG 133 Ca -0.03 0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 1a6a s ARG 133 Cb 0.00 -0.46 0.00 0.00 -1.56 0.00 0.00 34.95 32.93 1a6a s ARG 133 CO -0.06 -0.31 0.00 0.09 -0.81 0.00 0.00 175.30 174.22 1a6a n ASN 134 N 5.15 -2.71 0.00 -2.12 4.13 -0.65 0.35 115.26 119.40 1a6a n ASN 134 Ca -0.06 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.44 1a6a n ASN 134 Cb 0.50 -2.61 0.00 0.00 -1.54 0.00 0.00 39.78 36.13 1a6a n ASN 134 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1a6a n GLY 135 N -0.27 1.75 3.76 7.41 0.00 -1.26 -5.08 105.19 111.50 1a6a n GLY 135 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1a6a n GLY 135 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a6a s GLN 136 N -0.10 4.43 -0.92 1.61 -2.07 0.15 -5.00 119.66 117.77 1a6a s GLN 136 Ca 0.00 0.97 -0.24 0.00 -1.82 0.00 0.00 55.36 54.27 1a6a s GLN 136 Cb 0.00 -3.33 0.01 0.00 -1.09 0.00 0.00 33.01 28.61 1a6a s GLN 136 CO 0.00 0.40 1.62 -2.00 -1.32 0.00 0.00 175.29 173.99 1a6a s GLU 137 N -0.41 3.14 -0.83 9.60 2.12 -1.26 -0.43 118.70 130.63 1a6a s GLU 137 Ca 0.35 -0.61 -0.26 0.00 0.36 0.00 0.00 54.97 54.81 1a6a s GLU 137 Cb -0.20 -5.05 -0.14 0.00 0.26 0.00 0.00 34.13 29.00 1a6a s GLU 137 CO 0.22 -2.61 2.36 -1.21 -0.54 0.00 0.00 175.26 173.47 1a6a s GLU 138 N 5.88 1.60 -0.02 4.30 2.02 -0.82 -4.73 118.70 126.93 1a6a s GLU 138 Ca 0.54 0.35 -0.06 0.00 0.02 0.00 0.00 54.97 55.82 1a6a s GLU 138 Cb -0.04 -4.82 -0.29 0.00 0.10 0.00 0.00 34.13 29.08 1a6a s GLU 138 CO -0.02 -4.51 0.77 0.87 0.02 0.00 0.00 175.26 172.40 1a6a h LYS 139 N 12.49 0.31 0.00 1.61 1.57 -1.92 -3.39 116.57 127.24 1a6a h LYS 139 Ca 0.01 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1a6a h LYS 139 Cb 1.00 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1a6a h LYS 139 CO 1.02 1.19 0.29 2.41 -0.57 0.00 0.00 179.45 183.78 1a6a n THR 140 N -3.50 0.70 -2.71 -0.16 -1.04 -1.26 -3.87 114.28 102.44 1a6a n THR 140 Ca -0.20 0.70 -0.04 0.00 -2.04 0.00 0.00 64.05 62.47 1a6a n THR 140 Cb 1.06 -1.70 0.10 0.00 -1.82 0.00 0.00 70.33 67.96 1a6a n THR 140 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a6a n GLY 141 N -1.28 1.70 3.83 3.41 0.00 -1.26 -5.07 105.19 106.52 1a6a n GLY 141 Ca -0.01 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1a6a n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a6a s VAL 142 N -1.12 4.58 -0.42 1.61 1.01 -1.25 -1.84 120.40 122.96 1a6a s VAL 142 Ca 0.19 1.20 0.05 0.00 0.00 0.00 0.00 61.98 63.42 1a6a s VAL 142 Cb 0.41 -3.75 0.19 0.00 0.00 0.00 0.00 36.38 33.23 1a6a s VAL 142 CO -0.07 0.00 0.40 0.52 0.00 0.00 0.00 175.10 175.95 1a6a n VAL 143 N 0.17 -0.92 -1.71 2.92 0.31 -0.25 -4.96 118.33 113.90 1a6a n VAL 143 Ca 0.01 -3.65 -0.30 0.00 -0.01 0.00 0.00 64.34 60.39 1a6a n VAL 143 Cb 0.52 -1.75 0.05 0.00 -0.91 0.00 0.00 33.84 31.75 1a6a n VAL 143 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1a6a s SER 144 N -0.34 5.33 -0.02 4.52 0.15 -1.26 -2.79 113.70 119.29 1a6a s SER 144 Ca 0.33 1.37 0.18 0.00 0.70 0.00 0.00 55.95 58.53 1a6a s SER 144 Cb 0.07 -2.22 -0.27 0.00 -1.71 0.00 0.00 66.02 61.89 1a6a s SER 144 CO -0.17 -1.44 0.43 0.35 1.20 0.00 0.00 173.24 173.60 1a6a n THR 145 N -3.10 0.00 0.00 6.45 -2.24 -1.01 -4.95 114.28 109.42 1a6a n THR 145 Ca 0.07 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1a6a n THR 145 Cb 0.55 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1a6a n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a6a n GLY 146 N 1.47 -0.59 3.75 3.38 0.00 -1.26 -4.89 105.19 107.05 1a6a n GLY 146 Ca -0.03 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 1a6a n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a6a s LEU 147 N -1.76 3.86 -0.17 0.99 1.43 -1.26 -4.47 118.68 117.30 1a6a s LEU 147 Ca 0.00 2.76 -0.05 0.00 -1.03 0.00 0.00 54.13 55.81 1a6a s LEU 147 Cb 0.00 -4.26 0.06 0.00 0.03 0.00 0.00 46.19 42.02 1a6a s LEU 147 CO 0.00 -1.54 0.11 -0.63 0.23 0.00 0.00 176.35 174.51 1a6a s ILE 148 N -1.31 -0.13 0.14 -0.59 1.01 -1.05 -4.98 121.20 114.30 1a6a s ILE 148 Ca 0.71 -0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.93 1a6a s ILE 148 Cb -0.40 -0.56 -0.09 0.00 0.01 0.00 0.00 42.46 41.42 1a6a s ILE 148 CO 0.48 -0.24 1.42 -1.00 0.00 0.00 0.00 174.94 175.59 1a6a s HIS 149 N 2.17 3.19 -2.56 3.97 3.76 -1.26 -2.73 115.29 121.83 1a6a s HIS 149 Ca 0.03 0.93 0.25 0.00 -0.15 0.00 0.00 55.06 56.12 1a6a s HIS 149 Cb -0.16 -3.73 0.50 0.00 1.11 0.00 0.00 32.58 30.30 1a6a s HIS 149 CO -0.09 -2.55 1.43 0.09 -0.85 0.00 0.00 174.74 172.77 1a6a n ASN 150 N 3.68 2.16 0.00 1.40 4.13 -0.78 -4.95 115.26 120.90 1a6a n ASN 150 Ca 0.11 -1.65 0.00 0.00 1.68 0.00 0.00 54.58 54.72 1a6a n ASN 150 Cb 0.41 0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1a6a n ASN 150 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1a6a n GLY 151 N 1.30 2.82 2.29 7.41 0.00 -1.26 -4.83 105.19 112.93 1a6a n GLY 151 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1a6a n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a6a n ASP 152 N 0.45 6.18 -1.53 1.61 5.68 -1.26 -4.88 116.55 122.79 1a6a n ASP 152 Ca 0.00 -3.72 -0.16 0.00 -0.50 0.00 0.00 54.79 50.41 1a6a n ASP 152 Cb 0.00 -0.93 -0.04 0.00 -1.14 0.00 0.00 41.12 39.02 1a6a n ASP 152 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1a6a n TRP 153 N -1.01 -0.41 -3.84 2.11 7.02 -1.26 -5.00 117.44 115.05 1a6a n TRP 153 Ca 0.62 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.98 1a6a n TRP 153 Cb 1.05 -3.03 -0.13 0.00 -2.42 0.00 0.00 31.31 26.79 1a6a n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1a6a s THR 154 N -2.70 0.01 0.32 -0.99 -4.23 -1.26 -4.78 115.64 102.01 1a6a s THR 154 Ca 0.00 -0.08 0.05 0.00 -1.18 0.00 0.00 61.69 60.48 1a6a s THR 154 Cb 0.00 -0.17 0.05 0.00 1.34 0.00 0.00 72.50 73.72 1a6a s THR 154 CO 0.00 -0.04 0.44 0.49 -0.54 0.00 0.00 174.62 174.97 1a6a n PHE 155 N 2.87 -2.60 -3.69 3.99 3.72 -0.06 -1.87 117.46 119.83 1a6a n PHE 155 Ca -0.13 -1.17 -0.07 0.00 -0.05 0.00 0.00 57.45 56.03 1a6a n PHE 155 Cb 0.59 -0.30 -0.02 0.00 -0.94 0.00 0.00 39.48 38.81 1a6a n PHE 155 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1a6a s GLN 156 N -3.45 1.31 -0.28 -1.08 -2.07 -1.11 -0.93 119.66 112.06 1a6a s GLN 156 Ca 0.33 -0.66 -0.22 0.00 -1.82 0.00 0.00 55.36 52.99 1a6a s GLN 156 Cb -0.03 0.49 0.12 0.00 -1.09 0.00 0.00 33.01 32.51 1a6a s GLN 156 CO 0.21 -0.59 0.98 -0.08 -1.32 0.00 0.00 175.29 174.49 1a6a s THR 157 N -3.51 0.00 -0.45 3.63 -1.32 0.61 -2.53 115.64 112.08 1a6a s THR 157 Ca 0.09 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.55 1a6a s THR 157 Cb -0.03 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.08 1a6a s THR 157 CO -0.01 0.00 0.23 -0.76 -2.21 0.00 0.00 174.62 171.88 1a6a s LEU 158 N 0.67 5.16 -0.76 9.08 1.02 -1.26 -0.60 118.68 131.99 1a6a s LEU 158 Ca -0.02 -2.24 -0.14 0.00 0.02 0.00 0.00 54.13 51.75 1a6a s LEU 158 Cb -0.05 -1.80 0.20 0.00 0.02 0.00 0.00 46.19 44.56 1a6a s LEU 158 CO -0.10 -0.48 0.70 0.68 0.02 0.00 0.00 176.35 177.18 1a6a s VAL 159 N 0.83 5.48 0.71 -1.59 -7.23 -1.03 -2.41 120.40 115.16 1a6a s VAL 159 Ca 0.11 -2.27 -0.11 0.00 -1.81 0.00 0.00 61.98 57.90 1a6a s VAL 159 Cb -0.22 -4.42 0.02 0.00 0.56 0.00 0.00 36.38 32.32 1a6a s VAL 159 CO -0.04 -0.99 1.07 -0.04 -0.31 0.00 0.00 175.10 174.78 1a6a s MET 160 N 0.47 2.80 -0.21 4.82 -1.94 -1.12 -3.07 119.30 121.05 1a6a s MET 160 Ca 0.15 0.90 -0.03 0.00 -1.71 0.00 0.00 55.69 55.00 1a6a s MET 160 Cb -0.15 -1.98 0.07 0.00 2.01 0.00 0.00 34.83 34.78 1a6a s MET 160 CO -0.06 -1.19 0.04 -1.17 -0.01 0.00 0.00 175.02 172.63 1a6a s LEU 161 N -5.58 1.32 -0.60 -0.03 0.20 -0.18 -1.09 118.68 112.72 1a6a s LEU 161 Ca 0.58 -0.93 -0.27 0.00 0.69 0.00 0.00 54.13 54.20 1a6a s LEU 161 Cb -0.14 -0.64 0.01 0.00 -0.43 0.00 0.00 46.19 44.99 1a6a s LEU 161 CO 0.55 -0.32 1.50 -1.83 -0.29 0.00 0.00 176.35 175.96 1a6a s GLU 162 N 1.82 3.13 -0.12 1.98 -1.05 -0.77 -0.31 118.70 123.38 1a6a s GLU 162 Ca 0.00 0.37 -0.09 0.00 -0.15 0.00 0.00 54.97 55.10 1a6a s GLU 162 Cb -0.17 -4.20 0.04 0.00 -0.44 0.00 0.00 34.13 29.36 1a6a s GLU 162 CO -0.11 -2.15 0.31 0.99 0.95 0.00 0.00 175.26 175.25 1a6a s THR 163 N 6.67 -0.01 -0.74 1.83 2.01 0.29 -4.81 115.64 120.88 1a6a s THR 163 Ca 0.53 0.05 -0.26 0.00 0.31 0.00 0.00 61.69 62.32 1a6a s THR 163 Cb -0.11 -0.45 0.04 0.00 0.01 0.00 0.00 72.50 71.99 1a6a s THR 163 CO 0.22 0.02 1.22 -0.69 -0.69 0.00 0.00 174.62 174.70 1a6a s VAL 164 N 0.59 3.86 -0.02 3.82 1.01 -1.26 -3.05 120.40 125.35 1a6a s VAL 164 Ca -0.04 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 1a6a s VAL 164 Cb -0.05 -4.88 -0.07 0.00 0.00 0.00 0.00 36.38 31.38 1a6a s VAL 164 CO -0.04 -1.78 1.89 -2.84 0.00 0.00 0.00 175.10 172.33 1a6a s PRO 165 N 5.34 4.05 0.10 2.72 0.02 -1.26 -4.86 135.00 141.10 1a6a s PRO 165 Ca 0.33 2.40 -0.29 0.00 0.02 0.00 0.00 61.00 63.46 1a6a s PRO 165 Cb -0.09 -4.13 -0.06 0.00 0.02 0.00 0.00 34.50 30.24 1a6a s PRO 165 CO 0.13 -1.04 0.92 0.50 -0.33 0.00 0.00 177.00 177.18 1a6a s ARG 166 N 4.52 4.66 -0.23 5.54 3.52 -1.26 -4.26 118.95 131.43 1a6a s ARG 166 Ca 0.84 1.37 -0.23 0.00 -0.13 0.00 0.00 55.73 57.58 1a6a s ARG 166 Cb -0.38 -3.37 -0.25 0.00 -1.56 0.00 0.00 34.95 29.38 1a6a s ARG 166 CO 0.37 0.23 1.61 0.43 -0.81 0.00 0.00 175.30 177.13 1a6a n SER 167 N 2.79 1.43 0.00 -2.12 7.64 -1.25 -2.66 113.62 119.44 1a6a n SER 167 Ca 0.01 -2.46 0.00 0.00 1.01 0.00 0.00 58.87 57.43 1a6a n SER 167 Cb 0.49 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1a6a n SER 167 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6a n GLY 168 N 4.67 0.00 3.20 0.23 0.00 -1.26 -5.09 105.19 106.95 1a6a n GLY 168 Ca 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 1a6a n GLY 168 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a6a s GLU 169 N 0.00 0.74 -0.04 1.61 -1.05 -1.09 -5.03 118.70 113.84 1a6a s GLU 169 Ca 0.00 -0.64 0.05 0.00 -0.15 0.00 0.00 54.97 54.23 1a6a s GLU 169 Cb 0.00 0.31 -0.02 0.00 -0.44 0.00 0.00 34.13 33.98 1a6a s GLU 169 CO 0.00 -0.22 -0.18 0.08 0.95 0.00 0.00 175.26 175.89 1a6a s VAL 170 N -2.71 2.73 -0.14 1.83 1.01 -1.26 -0.51 120.40 121.36 1a6a s VAL 170 Ca -0.04 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1a6a s VAL 170 Cb -0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1a6a s VAL 170 CO -0.05 0.59 -0.03 -0.31 0.00 0.00 0.00 175.10 175.30 1a6a s TYR 171 N -0.64 3.05 -0.06 5.22 1.51 0.15 -1.64 117.35 124.95 1a6a s TYR 171 Ca 0.10 -0.17 0.05 0.00 -1.01 0.00 0.00 57.07 56.03 1a6a s TYR 171 Cb -0.11 -1.92 -0.00 0.00 -0.11 0.00 0.00 41.96 39.82 1a6a s TYR 171 CO 0.00 0.09 -0.21 0.95 -1.11 0.00 0.00 175.55 175.27 1a6a s THR 172 N 0.06 1.74 -0.54 -0.71 -4.23 -0.50 0.15 115.64 111.61 1a6a s THR 172 Ca 0.00 -0.88 -0.03 0.00 -1.18 0.00 0.00 61.69 59.60 1a6a s THR 172 Cb -0.13 -1.49 0.14 0.00 1.34 0.00 0.00 72.50 72.36 1a6a s THR 172 CO 0.03 0.49 0.36 0.00 -0.54 0.00 0.00 174.62 174.95 1a6a s GLN 174 N 0.46 3.86 -0.12 0.00 2.00 -0.67 -2.69 119.66 122.50 1a6a s GLN 174 Ca 0.13 0.43 -0.04 0.00 -2.00 0.00 0.00 55.36 53.88 1a6a s GLN 174 Cb -0.21 -3.77 -0.04 0.00 0.80 0.00 0.00 33.01 29.79 1a6a s GLN 174 CO -0.04 -0.75 0.03 0.08 -0.50 0.00 0.00 175.29 174.12 1a6a s VAL 175 N 3.00 4.58 -0.07 1.34 1.01 0.13 -1.48 120.40 128.91 1a6a s VAL 175 Ca 0.31 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1a6a s VAL 175 Cb -0.14 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1a6a s VAL 175 CO 0.15 0.56 -0.12 -1.61 0.00 0.00 0.00 175.10 174.08 1a6a s GLU 176 N -0.43 1.66 -0.02 2.72 2.02 -0.55 -0.39 118.70 123.72 1a6a s GLU 176 Ca 0.09 -0.39 -0.08 0.00 0.02 0.00 0.00 54.97 54.60 1a6a s GLU 176 Cb -0.12 -1.41 0.01 0.00 0.10 0.00 0.00 34.13 32.71 1a6a s GLU 176 CO 0.02 -0.01 0.18 -1.58 0.02 0.00 0.00 175.26 173.89 1a6a s HIS 177 N 0.78 -0.06 0.54 1.61 2.46 -1.26 -0.97 115.29 118.39 1a6a s HIS 177 Ca -0.12 0.11 0.26 0.00 0.47 0.00 0.00 55.06 55.77 1a6a s HIS 177 Cb -0.15 0.01 1.43 0.00 -0.13 0.00 0.00 32.58 33.73 1a6a s HIS 177 CO 0.02 -0.25 2.01 -1.00 -2.47 0.00 0.00 174.74 173.05 1a6a h PRO 178 N 4.64 0.00 0.00 2.88 0.13 -1.94 -1.83 132.00 135.87 1a6a h PRO 178 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1a6a h PRO 178 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1a6a h PRO 178 CO 0.40 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.83 1a6a h SER 179 N 0.00 0.00 -3.32 1.44 4.64 -1.88 -3.44 113.55 110.99 1a6a h SER 179 Ca 0.22 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.88 1a6a h SER 179 Cb 0.92 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.89 1a6a h SER 179 CO -0.00 0.00 -0.64 0.68 -0.87 0.00 0.00 176.83 176.00 1a6a s VAL 180 N -3.59 4.21 -0.99 0.95 -7.23 -0.69 -4.91 120.40 108.15 1a6a s VAL 180 Ca 0.02 -0.70 0.27 0.00 -1.81 0.00 0.00 61.98 59.76 1a6a s VAL 180 Cb 0.09 -2.93 0.13 0.00 0.56 0.00 0.00 36.38 34.23 1a6a s VAL 180 CO 0.48 0.28 1.67 0.35 -0.31 0.00 0.00 175.10 177.58 1a6a n THR 181 N 1.07 0.01 -3.68 5.32 -2.24 -1.26 -4.78 114.28 108.72 1a6a n THR 181 Ca -0.13 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 1a6a n THR 181 Cb 0.52 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.56 1a6a n THR 181 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1a6a s SER 182 N -3.04 -0.17 0.39 3.42 0.01 -1.26 -5.16 113.70 107.90 1a6a s SER 182 Ca 0.12 -0.36 -0.25 0.00 1.31 0.00 0.00 55.95 56.77 1a6a s SER 182 Cb 0.18 0.44 -0.09 0.00 0.21 0.00 0.00 66.02 66.77 1a6a s SER 182 CO 0.61 -0.81 1.16 -2.16 0.41 0.00 0.00 173.24 172.46 1a6a s PRO 183 N -3.72 4.10 -0.03 12.44 0.04 -1.26 -4.85 135.00 141.72 1a6a s PRO 183 Ca 0.03 1.83 -0.19 0.00 0.04 0.00 0.00 61.00 62.71 1a6a s PRO 183 Cb 0.02 -2.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 1a6a s PRO 183 CO -0.11 -0.28 0.55 -0.51 0.04 0.00 0.00 177.00 176.68 1a6a s LEU 184 N -2.43 4.40 0.06 -3.56 1.02 0.47 -4.87 118.68 113.77 1a6a s LEU 184 Ca 0.56 1.07 0.04 0.00 0.02 0.00 0.00 54.13 55.82 1a6a s LEU 184 Cb -0.31 -2.83 -0.03 0.00 0.02 0.00 0.00 46.19 43.05 1a6a s LEU 184 CO 0.39 0.11 -0.11 0.28 0.02 0.00 0.00 176.35 177.03 1a6a s THR 185 N -0.15 0.86 -0.05 5.49 -1.32 -1.26 0.21 115.64 119.42 1a6a s THR 185 Ca 0.29 -1.22 -0.01 0.00 -1.21 0.00 0.00 61.69 59.53 1a6a s THR 185 Cb -0.17 -0.88 0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1a6a s THR 185 CO 0.15 -0.31 0.03 -0.69 -2.21 0.00 0.00 174.62 171.59 1a6a s VAL 186 N -1.38 0.12 0.08 5.08 1.01 -1.09 -5.00 120.40 119.22 1a6a s VAL 186 Ca -0.05 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1a6a s VAL 186 Cb -0.10 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 1a6a s VAL 186 CO 0.01 0.20 0.29 -1.61 0.00 0.00 0.00 175.10 173.99 1a6a s GLU 187 N 1.82 3.55 -0.29 2.72 2.02 -1.26 -1.29 118.70 125.96 1a6a s GLU 187 Ca 0.01 -0.20 -0.03 0.00 0.02 0.00 0.00 54.97 54.77 1a6a s GLU 187 Cb -0.12 -2.98 0.11 0.00 0.10 0.00 0.00 34.13 31.24 1a6a s GLU 187 CO -0.03 0.56 0.16 -0.46 0.02 0.00 0.00 175.26 175.51 1a6a s TRP 188 N -1.51 0.24 0.20 1.61 -0.00 0.40 -4.95 118.94 114.93 1a6a s TRP 188 Ca 0.35 -0.84 -0.30 0.00 -0.00 0.00 0.00 56.10 55.31 1a6a s TRP 188 Cb -0.13 -0.84 -0.08 0.00 -0.00 0.00 0.00 33.47 32.42 1a6a s TRP 188 CO 0.23 -0.84 1.00 1.03 -0.00 0.00 0.00 176.95 178.37 1a6a s ARG 189 N 2.06 4.74 -0.15 5.86 0.52 -1.26 0.35 118.95 131.06 1a6a s ARG 189 Ca 0.10 1.56 -0.39 0.00 -0.52 0.00 0.00 55.73 56.48 1a6a s ARG 189 Cb -0.16 -3.29 -0.16 0.00 0.52 0.00 0.00 34.95 31.85 1a6a s ARG 189 CO -0.34 0.31 1.58 0.00 0.02 0.00 0.00 175.30 176.88 1a6a n ALA 190 N 1.98 -0.61 0.00 2.13 0.00 0.34 -4.94 120.51 119.39 1a6a n ALA 190 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1a6a n ALA 190 Cb 0.47 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1a6a n ALA 190 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04