#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ree s ILE 3 N 0.00 0.73 0.44 12.58 -4.36 -0.83 -5.00 121.20 124.75 1ree s ILE 3 Ca 0.00 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.42 1ree s ILE 3 Cb 0.00 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 41.11 1ree s ILE 3 CO 0.00 0.00 0.63 -1.10 0.24 0.00 0.00 174.94 174.71 1ree s GLN 4 N -3.88 2.95 0.34 0.37 -1.52 -1.26 -4.48 119.66 112.17 1ree s GLN 4 Ca 0.34 -0.75 -0.26 0.00 -1.95 0.00 0.00 55.36 52.74 1ree s GLN 4 Cb 0.06 -2.63 -0.13 0.00 -0.22 0.00 0.00 33.01 30.10 1ree s GLN 4 CO 0.15 -0.28 0.93 -0.35 -0.25 0.00 0.00 175.29 175.49 1ree n PRO 5 N -2.01 1.21 0.00 2.91 -0.04 -1.26 -4.93 135.00 130.88 1ree n PRO 5 Ca 0.03 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1ree n PRO 5 Cb 0.58 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1ree n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ree n GLY 6 N 1.31 0.01 3.35 0.55 0.00 -0.47 -4.98 105.19 104.95 1ree n GLY 6 Ca 0.10 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 1ree n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ree s THR 7 N -2.00 1.28 -4.42 2.61 -4.23 -1.26 -1.36 115.64 106.26 1ree s THR 7 Ca 0.00 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1ree s THR 7 Cb 0.00 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1ree s THR 7 CO 0.00 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1ree n GLY 8 N -0.44 -0.52 3.19 3.99 0.00 -0.90 -4.99 105.19 105.52 1ree n GLY 8 Ca -0.06 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 1ree n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ree s TYR 9 N -3.00 1.96 -0.04 1.61 2.02 -1.26 -0.74 117.35 117.90 1ree s TYR 9 Ca 0.00 -0.55 -0.02 0.00 -0.37 0.00 0.00 57.07 56.13 1ree s TYR 9 Cb 0.00 -1.30 0.03 0.00 -0.40 0.00 0.00 41.96 40.29 1ree s TYR 9 CO 0.00 -0.17 0.05 1.21 -1.57 0.00 0.00 175.55 175.07 1ree s ASN 10 N -0.08 1.13 -1.39 2.29 3.84 0.69 -4.86 114.94 116.56 1ree s ASN 10 Ca -0.03 0.05 -0.05 0.00 0.21 0.00 0.00 52.86 53.04 1ree s ASN 10 Cb -0.12 -0.19 0.03 0.00 -0.55 0.00 0.00 41.25 40.42 1ree s ASN 10 CO 0.02 -0.23 0.39 0.59 -2.79 0.00 0.00 177.10 175.08 1ree n ASN 11 N 5.17 -4.85 0.00 -4.21 3.02 -1.26 -1.81 115.26 111.31 1ree n ASN 11 Ca -0.06 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 1ree n ASN 11 Cb 0.50 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 1ree n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ree n GLY 12 N -1.21 2.56 3.62 7.41 0.00 -1.26 -4.59 105.19 111.72 1ree n GLY 12 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1ree n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ree s TYR 13 N -2.73 2.80 0.37 1.61 1.51 -0.75 -5.09 117.35 115.07 1ree s TYR 13 Ca 0.00 -0.14 -0.24 0.00 -1.01 0.00 0.00 57.07 55.68 1ree s TYR 13 Cb 0.00 -1.41 -0.10 0.00 -0.11 0.00 0.00 41.96 40.34 1ree s TYR 13 CO 0.00 0.48 0.95 0.12 -1.11 0.00 0.00 175.55 175.99 1ree s PHE 14 N -1.48 3.51 0.03 2.71 5.36 -0.57 -0.22 117.98 127.31 1ree s PHE 14 Ca 0.25 1.70 0.00 0.00 -0.96 0.00 0.00 56.93 57.92 1ree s PHE 14 Cb -0.10 -2.89 -0.02 0.00 -0.34 0.00 0.00 43.02 39.66 1ree s PHE 14 CO 0.16 0.05 -0.04 1.52 -1.46 0.00 0.00 175.22 175.45 1ree s TYR 15 N -1.88 0.39 -0.06 10.12 -0.85 0.09 -0.15 117.35 125.02 1ree s TYR 15 Ca 0.56 -0.58 -0.02 0.00 -0.52 0.00 0.00 57.07 56.50 1ree s TYR 15 Cb -0.14 -0.27 0.04 0.00 0.38 0.00 0.00 41.96 41.97 1ree s TYR 15 CO 0.19 -0.18 0.11 0.45 -1.52 0.00 0.00 175.55 174.60 1ree s SER 16 N -1.67 0.31 -0.07 -0.18 0.15 -0.86 -2.11 113.70 109.27 1ree s SER 16 Ca -0.12 0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.77 1ree s SER 16 Cb -0.08 0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1ree s SER 16 CO -0.02 -0.18 -0.11 -0.47 1.20 0.00 0.00 173.24 173.66 1ree s TYR 17 N 1.56 1.37 -0.02 3.44 5.04 -0.46 -1.89 117.35 126.39 1ree s TYR 17 Ca -0.04 -0.51 -0.04 0.00 -2.44 0.00 0.00 57.07 54.04 1ree s TYR 17 Cb -0.12 -1.03 0.00 0.00 0.35 0.00 0.00 41.96 41.16 1ree s TYR 17 CO -0.05 -0.28 0.09 -0.46 -1.34 0.00 0.00 175.55 173.51 1ree s TRP 18 N 0.76 -0.03 0.17 4.97 -0.00 0.04 -1.37 118.94 123.48 1ree s TRP 18 Ca -0.13 0.08 -0.04 0.00 -0.00 0.00 0.00 56.10 56.01 1ree s TRP 18 Cb -0.15 -0.01 -0.03 0.00 -0.00 0.00 0.00 33.47 33.28 1ree s TRP 18 CO 0.03 -0.12 0.16 0.54 -0.00 0.00 0.00 176.95 177.56 1ree s ASN 19 N -0.43 0.17 0.00 5.86 2.20 -1.26 -0.81 114.94 120.66 1ree s ASN 19 Ca -0.05 -1.17 0.28 0.00 -0.94 0.00 0.00 52.86 50.98 1ree s ASN 19 Cb -0.03 0.38 1.13 0.00 -2.00 0.00 0.00 41.25 40.72 1ree s ASN 19 CO 0.00 -0.83 1.79 -0.90 -2.94 0.00 0.00 177.10 174.22 1ree n ASP 20 N -0.20 0.84 0.00 3.54 5.75 -0.00 -4.92 116.55 121.56 1ree n ASP 20 Ca -0.03 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 1ree n ASP 20 Cb 0.64 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 1ree n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ree n GLY 21 N 1.24 2.20 3.77 6.12 0.00 -1.26 -5.01 105.19 112.25 1ree n GLY 21 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1ree n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ree s HIS 22 N -2.21 3.05 0.00 1.61 5.04 -1.26 -5.03 115.29 116.49 1ree s HIS 22 Ca 0.00 1.47 0.00 0.00 -1.54 0.00 0.00 55.06 54.99 1ree s HIS 22 Cb 0.00 -3.57 0.00 0.00 0.04 0.00 0.00 32.58 29.05 1ree s HIS 22 CO 0.00 -1.67 0.00 0.41 -2.34 0.00 0.00 174.74 171.14 1ree n GLY 23 N 0.77 -1.08 1.40 1.59 0.00 -1.26 -4.50 105.19 102.12 1ree n GLY 23 Ca 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1ree n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ree n GLY 24 N 4.61 0.63 3.04 -0.02 0.00 -1.26 -3.62 105.19 108.58 1ree n GLY 24 Ca 0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 1ree n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ree s VAL 25 N -2.00 1.12 -0.23 1.61 1.01 -1.26 -0.39 120.40 120.26 1ree s VAL 25 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1ree s VAL 25 Cb 0.00 -1.01 0.06 0.00 0.00 0.00 0.00 36.38 35.43 1ree s VAL 25 CO 0.00 0.34 -0.05 -0.89 0.00 0.00 0.00 175.10 174.50 1ree s THR 26 N 0.41 1.52 -0.18 3.92 2.01 0.24 -5.01 115.64 118.55 1ree s THR 26 Ca -0.09 -1.21 -0.07 0.00 0.31 0.00 0.00 61.69 60.63 1ree s THR 26 Cb -0.13 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1ree s THR 26 CO 0.03 -0.09 0.06 -0.47 -0.69 0.00 0.00 174.62 173.45 1ree s TYR 27 N 1.40 3.23 -0.08 4.92 6.14 -1.26 -1.36 117.35 130.33 1ree s TYR 27 Ca -0.06 0.04 0.01 0.00 0.64 0.00 0.00 57.07 57.70 1ree s TYR 27 Cb -0.19 -2.07 0.02 0.00 0.42 0.00 0.00 41.96 40.14 1ree s TYR 27 CO -0.06 0.13 -0.08 0.99 0.64 0.00 0.00 175.55 177.17 1ree s THR 28 N 0.39 0.92 -0.05 4.34 2.01 0.08 -1.97 115.64 121.37 1ree s THR 28 Ca 0.03 -0.29 -0.27 0.00 0.31 0.00 0.00 61.69 61.47 1ree s THR 28 Cb -0.13 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1ree s THR 28 CO 0.00 0.33 0.86 0.20 -0.69 0.00 0.00 174.62 175.32 1ree s ASN 29 N 1.24 7.17 0.15 3.53 0.01 -1.26 -0.74 114.94 125.04 1ree s ASN 29 Ca -0.04 1.41 0.01 0.00 -0.71 0.00 0.00 52.86 53.53 1ree s ASN 29 Cb -0.14 -2.49 0.01 0.00 0.41 0.00 0.00 41.25 39.04 1ree s ASN 29 CO -0.02 -0.23 0.12 0.61 -1.51 0.00 0.00 177.10 176.06 1ree n GLY 30 N 3.06 2.92 3.77 0.66 0.00 0.39 -4.76 105.19 111.22 1ree n GLY 30 Ca 0.03 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 1ree n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ree s PRO 31 N -2.63 3.77 7.80 1.61 0.04 -1.26 -4.37 135.00 139.96 1ree s PRO 31 Ca 0.09 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1ree s PRO 31 Cb -0.01 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1ree s PRO 31 CO 0.06 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1ree n GLY 32 N 0.61 3.83 1.92 0.56 0.00 -1.26 -1.93 105.19 108.91 1ree n GLY 32 Ca 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 1ree n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ree n GLY 33 N 0.00 3.48 3.88 -0.02 0.00 -1.26 -4.65 105.19 106.62 1ree n GLY 33 Ca 0.00 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 1ree n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ree s GLN 34 N -2.77 3.65 -0.02 1.61 0.74 -0.81 -0.54 119.66 121.52 1ree s GLN 34 Ca 0.50 -0.01 -0.10 0.00 0.05 0.00 0.00 55.36 55.80 1ree s GLN 34 Cb 0.40 -2.98 0.01 0.00 1.10 0.00 0.00 33.01 31.55 1ree s GLN 34 CO 0.12 0.56 0.22 -0.59 -0.55 0.00 0.00 175.29 175.06 1ree s PHE 35 N -1.45 -0.09 0.02 1.67 -0.71 -0.20 -0.46 117.98 116.75 1ree s PHE 35 Ca 0.34 0.14 0.06 0.00 -1.04 0.00 0.00 56.93 56.43 1ree s PHE 35 Cb -0.13 0.03 -0.02 0.00 -1.21 0.00 0.00 43.02 41.69 1ree s PHE 35 CO 0.20 -0.30 -0.17 -1.12 -1.34 0.00 0.00 175.22 172.49 1ree s SER 36 N -1.13 2.00 -0.04 1.98 0.01 0.08 -1.33 113.70 115.26 1ree s SER 36 Ca -0.12 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.74 1ree s SER 36 Cb -0.06 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.02 1ree s SER 36 CO 0.02 0.14 -0.04 -0.69 0.41 0.00 0.00 173.24 173.08 1ree s VAL 37 N -0.64 0.51 -0.10 3.43 1.01 -0.38 -0.74 120.40 123.49 1ree s VAL 37 Ca 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1ree s VAL 37 Cb -0.07 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1ree s VAL 37 CO 0.01 0.22 -0.10 0.20 0.00 0.00 0.00 175.10 175.42 1ree s ASN 38 N 0.96 2.14 0.04 3.32 0.01 -0.47 -1.06 114.94 119.88 1ree s ASN 38 Ca -0.10 -0.33 0.02 0.00 -0.71 0.00 0.00 52.86 51.74 1ree s ASN 38 Cb -0.14 -0.89 -0.02 0.00 0.41 0.00 0.00 41.25 40.60 1ree s ASN 38 CO -0.00 -0.06 -0.07 -1.66 -1.51 0.00 0.00 177.10 173.79 1ree s TRP 39 N 1.33 0.64 -0.15 2.20 -2.14 -0.43 -0.59 118.94 119.80 1ree s TRP 39 Ca -0.01 -0.44 -0.04 0.00 2.66 0.00 0.00 56.10 58.27 1ree s TRP 39 Cb -0.14 -0.39 0.07 0.00 -3.10 0.00 0.00 33.47 29.92 1ree s TRP 39 CO -0.05 -0.07 0.21 0.45 -2.66 0.00 0.00 176.95 174.83 1ree s SER 40 N -1.36 1.02 -1.25 -2.66 0.15 0.47 -0.67 113.70 109.40 1ree s SER 40 Ca -0.08 0.09 -0.08 0.00 0.70 0.00 0.00 55.95 56.58 1ree s SER 40 Cb -0.09 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 64.61 1ree s SER 40 CO 0.00 -0.29 0.68 0.59 1.20 0.00 0.00 173.24 175.43 1ree n ASN 41 N 5.33 -2.84 -2.42 5.45 3.02 -0.31 -4.51 115.26 118.98 1ree n ASN 41 Ca -0.05 -0.93 -0.06 0.00 -0.03 0.00 0.00 54.58 53.51 1ree n ASN 41 Cb 0.50 -3.65 0.04 0.00 -0.61 0.00 0.00 39.78 36.05 1ree n ASN 41 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ree n SER 42 N -2.91 0.08 0.00 6.41 3.41 -0.27 -4.64 113.62 115.70 1ree n SER 42 Ca -0.21 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 1ree n SER 42 Cb 0.64 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1ree n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ree n GLY 43 N 3.26 2.02 3.48 5.00 0.00 -1.24 -3.71 105.19 114.01 1ree n GLY 43 Ca 0.03 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1ree n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ree s ASN 44 N 0.01 5.07 0.15 1.61 3.04 -1.26 -0.32 114.94 123.24 1ree s ASN 44 Ca 0.00 -0.15 -0.08 0.00 0.04 0.00 0.00 52.86 52.66 1ree s ASN 44 Cb 0.00 -1.88 -0.01 0.00 -1.54 0.00 0.00 41.25 37.82 1ree s ASN 44 CO 0.00 0.05 0.25 0.72 -3.04 0.00 0.00 177.10 175.09 1ree s PHE 45 N 1.08 0.41 -0.24 0.43 -0.12 -0.61 -0.82 117.98 118.11 1ree s PHE 45 Ca 0.03 -0.78 -0.13 0.00 -0.05 0.00 0.00 56.93 56.00 1ree s PHE 45 Cb -0.14 -0.09 0.08 0.00 -0.63 0.00 0.00 43.02 42.23 1ree s PHE 45 CO 0.02 -0.68 0.58 0.54 -0.05 0.00 0.00 175.22 175.63 1ree s VAL 46 N -3.96 -0.18 0.01 -2.49 0.11 0.00 -1.07 120.40 112.83 1ree s VAL 46 Ca 0.16 0.04 -0.18 0.00 -2.93 0.00 0.00 61.98 59.07 1ree s VAL 46 Cb 0.04 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1ree s VAL 46 CO -0.01 0.02 0.40 -0.83 -3.33 0.00 0.00 175.10 171.35 1ree s GLY 47 N 1.80 -0.26 0.00 6.54 0.00 -0.83 -0.78 107.32 113.79 1ree s GLY 47 Ca -0.09 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1ree s GLY 47 CO -0.17 0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.72 1ree n GLY 48 N 0.84 -0.29 3.55 0.20 0.00 -0.79 -1.25 105.19 107.45 1ree n GLY 48 Ca -0.20 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 1ree n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ree s LYS 49 N -2.00 1.97 0.00 1.61 1.02 -1.13 -2.03 119.74 119.19 1ree s LYS 49 Ca 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 54.67 1ree s LYS 49 Cb 0.00 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 1ree s LYS 49 CO 0.00 0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 1ree n GLY 50 N 0.07 -0.57 3.18 -3.33 0.00 0.79 -1.39 105.19 103.94 1ree n GLY 50 Ca -0.11 0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1ree n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ree s TRP 51 N -0.15 1.19 -0.24 1.61 0.51 0.28 -1.51 118.94 120.63 1ree s TRP 51 Ca 0.00 -0.51 -0.03 0.00 -2.12 0.00 0.00 56.10 53.44 1ree s TRP 51 Cb 0.00 -0.66 0.11 0.00 -0.81 0.00 0.00 33.47 32.11 1ree s TRP 51 CO 0.00 0.05 0.23 -1.14 -0.51 0.00 0.00 176.95 175.59 1ree s GLN 52 N -2.08 0.23 0.60 4.98 2.00 -1.26 -0.75 119.66 123.38 1ree s GLN 52 Ca 0.01 0.02 -0.03 0.00 -2.00 0.00 0.00 55.36 53.36 1ree s GLN 52 Cb -0.08 -1.05 0.03 0.00 0.80 0.00 0.00 33.01 32.71 1ree s GLN 52 CO 0.02 -0.80 0.87 -1.25 -0.50 0.00 0.00 175.29 173.63 1ree s PRO 53 N 2.31 2.55 0.84 1.67 0.04 -1.26 -5.03 135.00 136.12 1ree s PRO 53 Ca 0.08 -0.41 -0.07 0.00 0.04 0.00 0.00 61.00 60.65 1ree s PRO 53 Cb -0.15 -2.34 0.18 0.00 0.04 0.00 0.00 34.50 32.22 1ree s PRO 53 CO -0.21 -0.85 1.15 0.20 0.04 0.00 0.00 177.00 177.34 1ree s GLY 54 N -4.41 1.77 0.19 0.56 0.00 0.12 -4.86 107.32 100.69 1ree s GLY 54 Ca 0.57 -1.65 0.03 0.00 0.00 0.00 0.00 44.72 43.67 1ree s GLY 54 CO 0.42 -0.95 -0.03 -0.51 0.00 0.00 0.00 173.10 172.03 1ree s THR 55 N -3.48 0.97 -2.20 0.90 -4.23 -1.26 -4.78 115.64 101.56 1ree s THR 55 Ca 0.71 -2.02 0.19 0.00 -1.18 0.00 0.00 61.69 59.39 1ree s THR 55 Cb -0.03 -2.12 0.44 0.00 1.34 0.00 0.00 72.50 72.13 1ree s THR 55 CO 0.48 -0.51 1.53 0.29 -0.54 0.00 0.00 174.62 175.88 1ree n LYS 56 N -0.29 1.60 -0.11 3.99 5.02 -1.26 -3.93 118.16 123.18 1ree n LYS 56 Ca -0.07 -0.91 0.01 0.00 -2.02 0.00 0.00 58.31 55.32 1ree n LYS 56 Cb 0.63 -1.36 0.02 0.00 -0.02 0.00 0.00 35.03 34.29 1ree n LYS 56 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1ree n ASN 57 N 0.14 0.73 -4.75 4.39 6.94 -1.26 -3.65 115.26 117.80 1ree n ASN 57 Ca 0.15 -1.68 -0.41 0.00 -0.02 0.00 0.00 54.58 52.62 1ree n ASN 57 Cb 0.28 -0.09 -0.03 0.00 -2.36 0.00 0.00 39.78 37.58 1ree n ASN 57 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1ree s LYS 58 N -0.55 4.42 -0.36 -3.83 2.20 -1.25 -4.70 119.74 115.66 1ree s LYS 58 Ca 0.04 2.06 -0.11 0.00 -0.36 0.00 0.00 55.97 57.60 1ree s LYS 58 Cb 0.03 -3.16 0.02 0.00 -1.51 0.00 0.00 37.83 33.21 1ree s LYS 58 CO 0.00 -0.15 0.20 0.08 -0.36 0.00 0.00 175.35 175.12 1ree s VAL 59 N -0.47 4.58 -0.19 4.02 1.01 -1.26 -1.89 120.40 126.21 1ree s VAL 59 Ca 0.52 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1ree s VAL 59 Cb -0.37 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1ree s VAL 59 CO 0.43 -0.18 0.21 -0.63 0.00 0.00 0.00 175.10 174.93 1ree s ILE 60 N 1.57 5.35 -0.04 2.22 1.01 -0.22 -4.90 121.20 126.19 1ree s ILE 60 Ca 0.02 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1ree s ILE 60 Cb -0.19 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1ree s ILE 60 CO 0.07 0.40 -0.02 0.20 0.00 0.00 0.00 174.94 175.59 1ree s ASN 61 N 0.50 5.03 0.01 3.58 0.01 -0.57 -0.14 114.94 123.36 1ree s ASN 61 Ca 0.12 0.03 -0.17 0.00 -0.71 0.00 0.00 52.86 52.14 1ree s ASN 61 Cb -0.12 -1.33 0.03 0.00 0.41 0.00 0.00 41.25 40.24 1ree s ASN 61 CO 0.01 0.33 0.36 0.72 -1.51 0.00 0.00 177.10 177.01 1ree s PHE 62 N -0.96 -0.22 0.03 2.20 -0.71 -0.46 -1.75 117.98 116.12 1ree s PHE 62 Ca 0.16 0.25 -0.27 0.00 -1.04 0.00 0.00 56.93 56.03 1ree s PHE 62 Cb -0.11 0.15 0.08 0.00 -1.21 0.00 0.00 43.02 41.92 1ree s PHE 62 CO 0.06 -0.47 0.71 -1.54 -1.34 0.00 0.00 175.22 172.64 1ree s SER 63 N -1.63 -0.55 0.00 1.98 1.04 -0.74 -0.87 113.70 112.94 1ree s SER 63 Ca -0.10 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1ree s SER 63 Cb -0.03 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1ree s SER 63 CO 0.02 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1ree n GLY 64 N 0.18 0.50 3.48 7.32 0.00 -1.24 -0.55 105.19 114.88 1ree n GLY 64 Ca -0.16 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 1ree n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ree s SER 65 N -4.00 4.16 -0.20 1.61 1.04 0.11 -4.75 113.70 111.67 1ree s SER 65 Ca 0.00 -0.18 -0.03 0.00 0.48 0.00 0.00 55.95 56.22 1ree s SER 65 Cb 0.00 -1.05 0.06 0.00 0.10 0.00 0.00 66.02 65.13 1ree s SER 65 CO 0.00 0.32 0.04 -0.47 0.98 0.00 0.00 173.24 174.11 1ree s TYR 66 N -0.55 1.01 -0.61 5.02 5.04 -1.26 -0.70 117.35 125.29 1ree s TYR 66 Ca 0.08 -0.86 0.05 0.00 -2.44 0.00 0.00 57.07 53.90 1ree s TYR 66 Cb -0.12 -1.03 0.18 0.00 0.35 0.00 0.00 41.96 41.35 1ree s TYR 66 CO 0.02 -0.62 0.48 0.09 -1.34 0.00 0.00 175.55 174.18 1ree n ASN 67 N 5.05 2.07 -4.79 4.32 4.13 0.31 -5.02 115.26 121.34 1ree n ASN 67 Ca -0.09 -3.00 -0.36 0.00 1.68 0.00 0.00 54.58 52.82 1ree n ASN 67 Cb 0.47 -0.69 -0.05 0.00 -1.54 0.00 0.00 39.78 37.97 1ree n ASN 67 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1ree s PRO 68 N -1.16 4.21 -0.57 3.52 0.04 -1.26 -1.66 135.00 138.12 1ree s PRO 68 Ca 0.29 1.42 0.05 0.00 0.04 0.00 0.00 61.00 62.80 1ree s PRO 68 Cb 0.01 -2.50 0.20 0.00 0.04 0.00 0.00 34.50 32.25 1ree s PRO 68 CO -0.16 -0.08 0.52 -1.71 0.04 0.00 0.00 177.00 175.61 1ree n ASN 69 N -0.12 1.88 0.00 6.66 5.15 0.80 -4.93 115.26 124.70 1ree n ASN 69 Ca 0.05 -2.98 0.00 0.00 -0.60 0.00 0.00 54.58 51.05 1ree n ASN 69 Cb 0.50 -0.67 0.00 0.00 -0.53 0.00 0.00 39.78 39.09 1ree n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ree n GLY 70 N 1.81 0.20 3.61 8.20 0.00 -1.26 -2.20 105.19 115.54 1ree n GLY 70 Ca 0.25 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 1ree n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ree s ASN 71 N -4.00 6.34 -0.10 1.61 3.04 -1.26 -1.78 114.94 118.78 1ree s ASN 71 Ca 0.00 1.00 -0.31 0.00 0.04 0.00 0.00 52.86 53.58 1ree s ASN 71 Cb 0.00 -2.54 0.12 0.00 -1.54 0.00 0.00 41.25 37.29 1ree s ASN 71 CO 0.00 -1.40 1.04 -0.55 -3.04 0.00 0.00 177.10 173.15 1ree s SER 72 N 4.04 -0.27 -0.01 -4.21 0.15 -1.26 -1.65 113.70 110.49 1ree s SER 72 Ca 0.63 0.05 -0.16 0.00 0.70 0.00 0.00 55.95 57.17 1ree s SER 72 Cb -0.16 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.45 1ree s SER 72 CO 0.31 -0.42 0.35 -0.72 1.20 0.00 0.00 173.24 173.96 1ree s TYR 73 N -2.52 -0.22 -0.16 3.44 1.13 -0.32 0.28 117.35 118.97 1ree s TYR 73 Ca 0.06 0.32 -0.02 0.00 -1.41 0.00 0.00 57.07 56.02 1ree s TYR 73 Cb -0.01 0.13 -0.02 0.00 -1.10 0.00 0.00 41.96 40.96 1ree s TYR 73 CO -0.06 -0.43 -0.07 -1.17 -2.51 0.00 0.00 175.55 171.31 1ree s LEU 74 N -1.40 2.99 0.14 -3.49 2.96 0.56 -0.83 118.68 119.60 1ree s LEU 74 Ca -0.12 -0.25 -0.25 0.00 -0.22 0.00 0.00 54.13 53.29 1ree s LEU 74 Cb -0.04 -1.71 0.07 0.00 0.50 0.00 0.00 46.19 45.00 1ree s LEU 74 CO 0.04 0.13 0.86 -0.94 -1.32 0.00 0.00 176.35 175.13 1ree s SER 75 N 0.55 -0.28 -0.20 3.68 1.04 -0.59 -0.97 113.70 116.93 1ree s SER 75 Ca -0.05 -0.30 -0.27 0.00 0.48 0.00 0.00 55.95 55.81 1ree s SER 75 Cb -0.15 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.49 1ree s SER 75 CO 0.03 -0.92 0.94 -0.69 0.98 0.00 0.00 173.24 173.58 1ree s VAL 76 N -3.41 4.78 -0.02 5.02 1.01 -0.29 -0.69 120.40 126.79 1ree s VAL 76 Ca 0.09 1.84 0.06 0.00 0.00 0.00 0.00 61.98 63.97 1ree s VAL 76 Cb -0.02 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1ree s VAL 76 CO -0.01 -0.08 -0.20 -0.47 0.00 0.00 0.00 175.10 174.34 1ree s TYR 77 N 2.70 1.84 0.17 5.22 5.04 0.10 -1.21 117.35 131.21 1ree s TYR 77 Ca 0.41 -0.40 -0.20 0.00 -2.44 0.00 0.00 57.07 54.45 1ree s TYR 77 Cb -0.16 -1.19 0.07 0.00 0.35 0.00 0.00 41.96 41.03 1ree s TYR 77 CO 0.10 -0.07 0.94 0.41 -1.34 0.00 0.00 175.55 175.59 1ree n GLY 78 N 2.71 0.66 3.18 8.97 0.00 -0.99 -0.79 105.19 118.94 1ree n GLY 78 Ca -0.16 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 1ree n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ree s TRP 79 N -2.46 1.00 0.11 1.61 0.52 -1.07 -1.34 118.94 117.32 1ree s TRP 79 Ca 0.21 -0.78 0.05 0.00 0.02 0.00 0.00 56.10 55.60 1ree s TRP 79 Cb -0.03 -0.55 -0.04 0.00 -1.15 0.00 0.00 33.47 31.71 1ree s TRP 79 CO 0.05 -0.06 -0.13 0.45 0.02 0.00 0.00 176.95 177.28 1ree s SER 80 N -2.81 1.87 0.01 2.95 0.15 -0.06 -1.26 113.70 114.56 1ree s SER 80 Ca 0.10 -0.79 0.06 0.00 0.70 0.00 0.00 55.95 56.02 1ree s SER 80 Cb 0.01 -0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.25 1ree s SER 80 CO -0.02 -0.16 -0.20 -0.13 1.20 0.00 0.00 173.24 173.93 1ree s ARG 81 N -2.61 1.45 -0.77 5.44 0.52 0.53 -2.14 118.95 121.37 1ree s ARG 81 Ca 0.07 -0.81 -0.01 0.00 -0.52 0.00 0.00 55.73 54.46 1ree s ARG 81 Cb -0.05 -1.48 0.00 0.00 0.52 0.00 0.00 34.95 33.94 1ree s ARG 81 CO 0.02 0.39 0.65 0.09 0.02 0.00 0.00 175.30 176.48 1ree n ASN 82 N 2.22 -6.35 -4.85 0.23 3.02 -1.26 -0.90 115.26 107.37 1ree n ASN 82 Ca -0.16 -0.49 -0.32 0.00 -0.03 0.00 0.00 54.58 53.58 1ree n ASN 82 Cb 0.53 -3.50 -0.02 0.00 -0.61 0.00 0.00 39.78 36.18 1ree n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ree s PRO 83 N -3.91 3.83 -0.33 3.52 0.04 -1.26 -3.83 135.00 133.05 1ree s PRO 83 Ca 0.01 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 1ree s PRO 83 Cb -0.00 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1ree s PRO 83 CO 0.82 -0.36 1.13 -1.17 0.04 0.00 0.00 177.00 177.46 1ree s LEU 84 N -4.43 3.89 -0.00 -3.56 2.96 -1.26 -4.49 118.68 111.79 1ree s LEU 84 Ca 0.57 1.01 0.00 0.00 -0.22 0.00 0.00 54.13 55.50 1ree s LEU 84 Cb -0.10 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.04 1ree s LEU 84 CO 0.39 -0.96 -0.00 -0.63 -1.32 0.00 0.00 176.35 173.83 1ree s ILE 85 N 3.88 0.02 -0.16 6.68 -1.09 -0.91 -3.88 121.20 125.74 1ree s ILE 85 Ca 0.48 -0.00 -0.01 0.00 -2.23 0.00 0.00 60.65 58.88 1ree s ILE 85 Cb -0.12 -0.03 -0.01 0.00 -1.58 0.00 0.00 42.46 40.71 1ree s ILE 85 CO 0.19 0.01 -0.10 -0.70 -1.23 0.00 0.00 174.94 173.11 1ree s GLU 86 N 0.04 3.41 0.13 2.79 2.12 -0.92 -0.88 118.70 125.39 1ree s GLU 86 Ca -0.00 -0.65 0.06 0.00 0.36 0.00 0.00 54.97 54.74 1ree s GLU 86 Cb -0.01 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 1ree s GLU 86 CO -0.00 0.11 -0.15 1.52 -0.54 0.00 0.00 175.26 176.20 1ree s TYR 87 N 0.63 1.49 -0.01 5.30 -0.85 -0.45 -1.23 117.35 122.24 1ree s TYR 87 Ca -0.06 -0.54 0.00 0.00 -0.52 0.00 0.00 57.07 55.96 1ree s TYR 87 Cb -0.15 -0.77 0.01 0.00 0.38 0.00 0.00 41.96 41.43 1ree s TYR 87 CO 0.03 0.18 -0.01 0.71 -1.52 0.00 0.00 175.55 174.94 1ree s TYR 88 N -2.15 0.15 -0.54 -3.49 1.51 0.15 -2.34 117.35 110.65 1ree s TYR 88 Ca 0.11 -0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.20 1ree s TYR 88 Cb -0.05 -0.15 0.14 0.00 -0.11 0.00 0.00 41.96 41.79 1ree s TYR 88 CO 0.04 -0.03 0.30 0.42 -1.11 0.00 0.00 175.55 175.17 1ree s ILE 89 N 0.21 2.33 -0.27 2.71 1.01 -0.35 -0.96 121.20 125.90 1ree s ILE 89 Ca -0.02 -3.33 -0.29 0.00 0.00 0.00 0.00 60.65 57.01 1ree s ILE 89 Cb -0.04 -2.60 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 1ree s ILE 89 CO -0.01 -0.87 1.30 -0.69 0.00 0.00 0.00 174.94 174.67 1ree s VAL 90 N -0.38 4.17 -0.14 2.92 1.01 0.40 -1.14 120.40 127.25 1ree s VAL 90 Ca 0.19 1.34 0.19 0.00 0.00 0.00 0.00 61.98 63.70 1ree s VAL 90 Cb -0.21 -4.11 -0.16 0.00 0.00 0.00 0.00 36.38 31.91 1ree s VAL 90 CO -0.04 -0.39 0.72 -0.62 0.00 0.00 0.00 175.10 174.77 1ree n GLU 91 N 7.15 0.63 -3.56 2.72 -0.58 -0.15 -1.05 120.64 125.80 1ree n GLU 91 Ca 0.15 0.10 -0.13 0.00 -0.42 0.00 0.00 57.16 56.86 1ree n GLU 91 Cb 0.46 -1.73 -0.05 0.00 -0.57 0.00 0.00 31.44 29.55 1ree n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1ree s ASN 92 N -5.44 -0.46 0.16 1.62 3.84 -1.12 -1.86 114.94 111.67 1ree s ASN 92 Ca -0.04 0.49 -0.12 0.00 0.21 0.00 0.00 52.86 53.40 1ree s ASN 92 Cb 0.09 0.38 0.01 0.00 -0.55 0.00 0.00 41.25 41.18 1ree s ASN 92 CO 0.83 -0.43 0.35 0.72 -2.79 0.00 0.00 177.10 175.77 1ree s PHE 93 N -1.17 0.16 0.00 0.43 -0.12 -1.26 -0.32 117.98 115.70 1ree s PHE 93 Ca -0.05 -0.53 0.00 0.00 -0.05 0.00 0.00 56.93 56.31 1ree s PHE 93 Cb -0.00 0.09 0.00 0.00 -0.63 0.00 0.00 43.02 42.48 1ree s PHE 93 CO 0.04 -0.74 0.00 0.41 -0.05 0.00 0.00 175.22 174.88 1ree n GLY 94 N -0.23 0.83 0.13 1.99 0.00 0.14 -4.90 105.19 103.16 1ree n GLY 94 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.05 1ree n GLY 94 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ree h THR 95 N 0.00 0.00 -3.35 2.61 1.35 -1.63 -3.44 112.91 108.44 1ree h THR 95 Ca 0.00 -0.42 -0.60 0.00 -0.55 0.00 0.00 66.41 64.84 1ree h THR 95 Cb 0.00 1.32 -0.33 0.00 -1.73 0.00 0.00 68.15 67.40 1ree h THR 95 CO 0.00 0.00 -0.85 -0.47 -0.25 0.00 0.00 175.52 173.95 1ree s TYR 96 N -3.21 2.04 -0.38 4.73 5.04 -1.26 -4.99 117.35 119.31 1ree s TYR 96 Ca 0.08 -0.85 -0.29 0.00 -2.44 0.00 0.00 57.07 53.57 1ree s TYR 96 Cb 0.11 -1.42 0.02 0.00 0.35 0.00 0.00 41.96 41.01 1ree s TYR 96 CO 0.52 -0.39 1.22 1.21 -1.34 0.00 0.00 175.55 176.78 1ree s ASN 97 N 0.60 6.66 0.23 4.32 3.84 -1.26 -4.79 114.94 124.54 1ree s ASN 97 Ca -0.15 0.88 0.14 0.00 0.21 0.00 0.00 52.86 53.94 1ree s ASN 97 Cb -0.16 -2.54 0.77 0.00 -0.55 0.00 0.00 41.25 38.76 1ree s ASN 97 CO 0.05 -1.16 1.41 -0.81 -2.79 0.00 0.00 177.10 173.80 1ree n PRO 98 N 7.52 0.09 -0.14 0.43 -0.04 -1.26 -1.57 135.00 140.04 1ree n PRO 98 Ca 0.14 0.58 0.09 0.00 -0.04 0.00 0.00 63.50 64.27 1ree n PRO 98 Cb 0.48 -1.85 0.29 0.00 -0.04 0.00 0.00 33.50 32.38 1ree n PRO 98 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ree n SER 99 N -1.99 2.07 -4.69 3.54 3.41 -1.26 -4.91 113.62 109.78 1ree n SER 99 Ca -0.01 -1.84 -0.42 0.00 -0.26 0.00 0.00 58.87 56.34 1ree n SER 99 Cb 0.07 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 1ree n SER 99 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ree s THR 100 N -1.64 2.90 0.00 6.66 2.01 -0.61 -2.14 115.64 122.83 1ree s THR 100 Ca 0.31 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.74 1ree s THR 100 Cb 0.17 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.41 1ree s THR 100 CO 0.24 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 1ree n GLY 101 N 3.99 0.84 3.94 4.40 0.00 -1.26 -5.05 105.19 112.05 1ree n GLY 101 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1ree n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ree s ALA 102 N -3.34 3.89 -0.14 4.61 0.00 -0.91 -5.05 121.76 120.82 1ree s ALA 102 Ca 0.00 -0.98 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 1ree s ALA 102 Cb 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 1ree s ALA 102 CO 0.00 0.42 0.66 0.95 0.00 0.00 0.00 175.76 177.79 1ree s THR 103 N -1.86 5.04 -0.01 0.00 -4.23 -1.01 -4.88 115.64 108.68 1ree s THR 103 Ca 0.36 1.30 -0.30 0.00 -1.18 0.00 0.00 61.69 61.87 1ree s THR 103 Cb -0.11 -3.98 -0.03 0.00 1.34 0.00 0.00 72.50 69.72 1ree s THR 103 CO 0.29 0.18 1.03 -0.75 -0.54 0.00 0.00 174.62 174.83 1ree s LYS 104 N 1.38 4.51 -0.14 3.99 2.20 -1.26 -1.55 119.74 128.87 1ree s LYS 104 Ca 0.33 1.49 0.18 0.00 -0.36 0.00 0.00 55.97 57.60 1ree s LYS 104 Cb -0.16 -3.46 -0.26 0.00 -1.51 0.00 0.00 37.83 32.44 1ree s LYS 104 CO 0.13 -0.15 0.18 1.28 -0.36 0.00 0.00 175.35 176.43 1ree n LEU 105 N 4.15 0.00 0.00 5.43 4.77 0.31 -4.97 117.00 126.70 1ree n LEU 105 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1ree n LEU 105 Cb 0.50 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1ree n LEU 105 CO 0.53 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1ree n GLY 106 N 1.70 -0.52 3.00 -0.72 0.00 -1.22 -5.01 105.19 102.42 1ree n GLY 106 Ca -0.22 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 1ree n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ree s GLU 107 N -1.19 0.33 -0.05 1.61 2.02 -1.26 -0.14 118.70 120.02 1ree s GLU 107 Ca 0.00 -0.60 -0.05 0.00 0.02 0.00 0.00 54.97 54.35 1ree s GLU 107 Cb 0.00 0.12 0.01 0.00 0.10 0.00 0.00 34.13 34.36 1ree s GLU 107 CO 0.00 -0.06 0.13 0.54 0.02 0.00 0.00 175.26 175.89 1ree s VAL 108 N -1.49 0.00 -0.21 2.63 0.11 -0.43 -4.97 120.40 116.04 1ree s VAL 108 Ca -0.16 -0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 58.79 1ree s VAL 108 Cb -0.09 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 1ree s VAL 108 CO -0.01 -0.00 0.14 -0.89 -3.33 0.00 0.00 175.10 171.01 1ree s THR 109 N 0.06 5.39 -0.21 5.04 2.01 -1.26 -0.04 115.64 126.63 1ree s THR 109 Ca -0.00 0.19 -0.20 0.00 0.31 0.00 0.00 61.69 61.99 1ree s THR 109 Cb -0.01 -3.48 0.06 0.00 0.01 0.00 0.00 72.50 69.08 1ree s THR 109 CO 0.00 0.41 0.57 -0.55 -0.69 0.00 0.00 174.62 174.36 1ree s SER 110 N 0.56 -0.59 -1.52 3.53 0.15 -0.03 -4.97 113.70 110.83 1ree s SER 110 Ca 0.08 1.13 -0.06 0.00 0.70 0.00 0.00 55.95 57.80 1ree s SER 110 Cb -0.12 1.15 0.05 0.00 -1.71 0.00 0.00 66.02 65.39 1ree s SER 110 CO -0.00 -0.21 0.50 0.47 1.20 0.00 0.00 173.24 175.20 1ree n ASP 111 N 2.73 -1.17 0.00 5.45 8.00 -1.26 -1.94 116.55 128.35 1ree n ASP 111 Ca -0.14 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1ree n ASP 111 Cb 0.56 -2.81 0.00 0.00 -0.02 0.00 0.00 41.12 38.86 1ree n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ree n GLY 112 N -1.86 0.57 3.45 0.44 0.00 -1.26 -4.99 105.19 101.54 1ree n GLY 112 Ca -0.19 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 1ree n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ree s SER 113 N -2.21 -0.59 0.25 1.61 0.15 -0.82 -4.98 113.70 107.11 1ree s SER 113 Ca 0.00 0.25 -0.22 0.00 0.70 0.00 0.00 55.95 56.69 1ree s SER 113 Cb 0.00 0.57 -0.09 0.00 -1.71 0.00 0.00 66.02 64.79 1ree s SER 113 CO 0.00 -0.83 0.79 -0.69 1.20 0.00 0.00 173.24 173.71 1ree s VAL 114 N -2.79 4.46 -0.04 4.45 1.01 -1.26 -0.85 120.40 125.38 1ree s VAL 114 Ca -0.03 1.46 0.04 0.00 0.00 0.00 0.00 61.98 63.45 1ree s VAL 114 Cb -0.01 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 1ree s VAL 114 CO -0.04 0.21 -0.17 -0.31 0.00 0.00 0.00 175.10 174.79 1ree s TYR 115 N -1.52 1.72 -0.01 5.22 1.51 0.95 -1.80 117.35 123.41 1ree s TYR 115 Ca 0.44 -0.50 -0.18 0.00 -1.01 0.00 0.00 57.07 55.83 1ree s TYR 115 Cb -0.18 -1.16 -0.05 0.00 -0.11 0.00 0.00 41.96 40.46 1ree s TYR 115 CO 0.22 -0.17 0.50 -0.51 -1.11 0.00 0.00 175.55 174.48 1ree s ASP 116 N 0.05 6.87 -0.14 2.29 1.01 -0.68 -1.32 116.67 124.76 1ree s ASP 116 Ca -0.04 1.03 -0.06 0.00 0.71 0.00 0.00 52.55 54.19 1ree s ASP 116 Cb -0.12 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 1ree s ASP 116 CO 0.02 0.18 0.07 -0.63 0.21 0.00 0.00 175.17 175.03 1ree s ILE 117 N -0.46 4.92 0.13 0.77 1.01 0.80 -0.85 121.20 127.51 1ree s ILE 117 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1ree s ILE 117 Cb -0.17 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 1ree s ILE 117 CO 0.15 0.55 0.00 -0.31 0.00 0.00 0.00 174.94 175.33 1ree s TYR 118 N -0.41 0.92 -0.07 3.97 1.51 -0.55 -0.53 117.35 122.19 1ree s TYR 118 Ca 0.10 -1.09 -0.10 0.00 -1.01 0.00 0.00 57.07 54.98 1ree s TYR 118 Cb -0.12 -0.54 0.02 0.00 -0.11 0.00 0.00 41.96 41.21 1ree s TYR 118 CO 0.02 -0.34 0.25 0.50 -1.11 0.00 0.00 175.55 174.87 1ree s ARG 119 N -3.95 0.38 0.11 -0.62 3.52 -0.59 -1.27 118.95 116.53 1ree s ARG 119 Ca 0.19 0.17 -0.19 0.00 -0.13 0.00 0.00 55.73 55.78 1ree s ARG 119 Cb 0.07 0.18 0.05 0.00 -1.56 0.00 0.00 34.95 33.68 1ree s ARG 119 CO -0.01 -0.07 0.46 -0.08 -0.81 0.00 0.00 175.30 174.80 1ree s THR 120 N -0.28 0.05 0.02 4.11 -1.32 -0.86 -2.41 115.64 114.95 1ree s THR 120 Ca -0.04 -0.38 0.02 0.00 -1.21 0.00 0.00 61.69 60.08 1ree s THR 120 Cb -0.03 -1.07 -0.04 0.00 -1.51 0.00 0.00 72.50 69.85 1ree s THR 120 CO 0.01 -0.21 0.01 -1.58 -2.21 0.00 0.00 174.62 170.64 1ree s GLN 121 N -3.37 2.77 -0.23 7.08 0.74 -1.26 -0.02 119.66 125.36 1ree s GLN 121 Ca 0.00 -0.65 -0.02 0.00 0.05 0.00 0.00 55.36 54.74 1ree s GLN 121 Cb 0.01 -2.66 0.01 0.00 1.10 0.00 0.00 33.01 31.47 1ree s GLN 121 CO -0.09 0.61 -0.08 1.03 -0.55 0.00 0.00 175.29 176.21 1ree s ARG 122 N -1.75 3.02 -0.22 1.67 1.81 0.46 -4.95 118.95 118.99 1ree s ARG 122 Ca 0.21 -0.85 -0.08 0.00 -1.72 0.00 0.00 55.73 53.29 1ree s ARG 122 Cb -0.12 -2.93 -0.04 0.00 -0.45 0.00 0.00 34.95 31.42 1ree s ARG 122 CO 0.13 -0.31 0.08 0.08 -0.68 0.00 0.00 175.30 174.60 1ree s VAL 123 N 1.37 4.69 -1.34 3.52 1.01 -1.26 -1.47 120.40 126.92 1ree s VAL 123 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1ree s VAL 123 Cb -0.15 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.06 1ree s VAL 123 CO -0.05 0.39 0.57 0.59 0.00 0.00 0.00 175.10 176.59 1ree n ASN 124 N 4.25 -1.03 -4.66 3.32 3.02 -1.01 -4.95 115.26 114.21 1ree n ASN 124 Ca -0.16 -0.92 -0.23 0.00 -0.03 0.00 0.00 54.58 53.24 1ree n ASN 124 Cb 0.52 -3.56 -0.07 0.00 -0.61 0.00 0.00 39.78 36.06 1ree n ASN 124 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1ree s GLN 125 N -6.23 2.32 0.48 3.52 -1.52 -0.45 -4.73 119.66 113.05 1ree s GLN 125 Ca 0.03 -1.42 -0.24 0.00 -1.95 0.00 0.00 55.36 51.78 1ree s GLN 125 Cb -0.01 -2.17 -0.07 0.00 -0.22 0.00 0.00 33.01 30.54 1ree s GLN 125 CO 0.85 0.34 1.36 -2.14 -0.25 0.00 0.00 175.29 175.45 1ree s PRO 126 N -3.70 3.53 0.25 2.91 0.02 -1.26 -1.18 135.00 135.58 1ree s PRO 126 Ca 0.32 2.26 -0.04 0.00 0.02 0.00 0.00 61.00 63.56 1ree s PRO 126 Cb -0.06 -2.50 0.02 0.00 0.02 0.00 0.00 34.50 31.97 1ree s PRO 126 CO 0.20 -0.89 0.40 -1.13 -0.33 0.00 0.00 177.00 175.25 1ree n SER 127 N -0.48 -1.13 0.00 2.53 3.41 0.12 -4.85 113.62 113.22 1ree n SER 127 Ca 0.07 -2.26 0.10 0.00 -0.26 0.00 0.00 58.87 56.52 1ree n SER 127 Cb 0.44 2.02 0.48 0.00 -0.26 0.00 0.00 64.21 66.88 1ree n SER 127 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1ree n ILE 128 N -0.39 0.48 -0.27 -1.33 -5.35 -1.26 -2.57 119.36 108.66 1ree n ILE 128 Ca -0.01 0.12 0.03 0.00 -0.27 0.00 0.00 62.75 62.62 1ree n ILE 128 Cb 0.41 -0.77 0.07 0.00 -1.74 0.00 0.00 39.64 37.60 1ree n ILE 128 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1ree n ILE 129 N -1.39 1.23 0.00 7.28 -5.35 -1.26 -5.11 119.36 114.76 1ree n ILE 129 Ca 0.08 -1.27 0.00 0.00 -0.27 0.00 0.00 62.75 61.29 1ree n ILE 129 Cb 0.20 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1ree n ILE 129 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ree n GLY 130 N -0.48 -0.72 3.69 3.28 0.00 -1.06 -4.92 105.19 104.98 1ree n GLY 130 Ca 0.06 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1ree n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ree s THR 131 N 0.00 4.35 0.34 2.61 2.01 -1.26 -0.70 115.64 122.98 1ree s THR 131 Ca 0.00 1.67 -0.17 0.00 0.31 0.00 0.00 61.69 63.50 1ree s THR 131 Cb 0.00 -4.07 0.04 0.00 0.01 0.00 0.00 72.50 68.48 1ree s THR 131 CO 0.00 0.03 0.74 0.00 -0.69 0.00 0.00 174.62 174.69 1ree s ALA 132 N 1.94 -0.82 -0.12 7.40 0.00 -0.32 -4.88 121.76 124.95 1ree s ALA 132 Ca 0.55 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 1ree s ALA 132 Cb -0.24 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 1ree s ALA 132 CO 0.23 -0.99 -0.08 0.99 0.00 0.00 0.00 175.76 175.90 1ree s THR 133 N -2.99 3.51 0.20 0.00 2.01 -1.26 -1.34 115.64 115.78 1ree s THR 133 Ca 0.15 -0.51 -0.23 0.00 0.31 0.00 0.00 61.69 61.41 1ree s THR 133 Cb -0.05 -2.48 0.05 0.00 0.01 0.00 0.00 72.50 70.03 1ree s THR 133 CO 0.10 0.54 0.68 0.72 -0.69 0.00 0.00 174.62 175.97 1ree s PHE 134 N -0.00 -0.37 0.11 4.92 -0.71 -0.54 -4.97 117.98 116.43 1ree s PHE 134 Ca -0.01 0.05 -0.07 0.00 -1.04 0.00 0.00 56.93 55.86 1ree s PHE 134 Cb -0.14 0.62 -0.06 0.00 -1.21 0.00 0.00 43.02 42.24 1ree s PHE 134 CO 0.03 -0.99 0.38 0.71 -1.34 0.00 0.00 175.22 174.01 1ree s TYR 135 N -3.76 3.52 -0.15 3.49 2.02 -1.25 -0.41 117.35 120.81 1ree s TYR 135 Ca 0.06 0.64 -0.02 0.00 -0.37 0.00 0.00 57.07 57.38 1ree s TYR 135 Cb -0.03 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.45 1ree s TYR 135 CO -0.04 0.47 -0.09 -0.65 -1.57 0.00 0.00 175.55 173.67 1ree s GLN 136 N -2.34 3.47 -0.08 -0.62 -0.21 0.97 -2.16 119.66 118.69 1ree s GLN 136 Ca 0.37 -0.63 -0.01 0.00 0.02 0.00 0.00 55.36 55.12 1ree s GLN 136 Cb -0.13 -2.76 -0.03 0.00 1.00 0.00 0.00 33.01 31.09 1ree s GLN 136 CO 0.22 0.17 -0.03 0.71 -2.12 0.00 0.00 175.29 174.23 1ree s TYR 137 N 0.50 3.04 0.04 0.91 1.51 -0.36 -2.02 117.35 120.97 1ree s TYR 137 Ca -0.07 0.08 0.04 0.00 -1.01 0.00 0.00 57.07 56.12 1ree s TYR 137 Cb -0.15 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1ree s TYR 137 CO 0.04 0.37 -0.12 -1.58 -1.11 0.00 0.00 175.55 173.15 1ree s TRP 138 N -0.77 1.06 -0.19 2.71 0.52 -0.39 -0.68 118.94 121.20 1ree s TRP 138 Ca 0.12 -0.35 -0.03 0.00 0.02 0.00 0.00 56.10 55.85 1ree s TRP 138 Cb -0.11 -0.63 0.06 0.00 -1.15 0.00 0.00 33.47 31.63 1ree s TRP 138 CO 0.02 0.01 0.05 -1.12 0.02 0.00 0.00 176.95 175.93 1ree s SER 139 N -1.11 2.81 -0.27 2.95 0.01 -0.13 -1.48 113.70 116.48 1ree s SER 139 Ca -0.00 -0.79 -0.06 0.00 1.31 0.00 0.00 55.95 56.40 1ree s SER 139 Cb -0.08 -0.52 -0.00 0.00 0.21 0.00 0.00 66.02 65.63 1ree s SER 139 CO 0.01 -0.32 0.06 -0.69 0.41 0.00 0.00 173.24 172.71 1ree s VAL 140 N 1.92 3.91 0.18 3.43 1.01 -0.03 -0.45 120.40 130.37 1ree s VAL 140 Ca -0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 61.98 61.10 1ree s VAL 140 Cb -0.17 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.18 1ree s VAL 140 CO -0.09 0.19 1.43 -0.60 0.00 0.00 0.00 175.10 176.03 1ree s ARG 141 N 1.51 4.29 -0.01 2.72 3.52 -0.22 -1.69 118.95 129.09 1ree s ARG 141 Ca 0.04 2.20 -0.20 0.00 -0.13 0.00 0.00 55.73 57.63 1ree s ARG 141 Cb -0.16 -3.18 -0.24 0.00 -1.56 0.00 0.00 34.95 29.80 1ree s ARG 141 CO 0.02 -0.44 1.07 0.00 -0.81 0.00 0.00 175.30 175.14 1ree h ARG 142 N 6.08 0.38 -4.77 5.12 3.08 -1.69 -3.40 114.38 119.18 1ree h ARG 142 Ca -0.44 -0.43 -0.70 0.00 0.07 0.00 0.00 59.98 58.49 1ree h ARG 142 Cb 1.21 0.13 -0.19 0.00 0.08 0.00 0.00 29.97 31.19 1ree h ARG 142 CO 0.84 1.11 0.36 -0.80 -1.07 0.00 0.00 179.97 180.40 1ree s ASN 143 N -6.74 6.37 0.52 7.04 0.01 -1.26 -5.03 114.94 115.84 1ree s ASN 143 Ca -0.13 -1.69 -0.23 0.00 -0.71 0.00 0.00 52.86 50.10 1ree s ASN 143 Cb 0.03 -2.33 -0.06 0.00 0.41 0.00 0.00 41.25 39.30 1ree s ASN 143 CO 0.82 -1.08 1.33 1.41 -1.51 0.00 0.00 177.10 178.06 1ree n HIS 144 N 6.28 2.22 -3.62 2.20 8.25 -1.26 -4.99 115.22 124.30 1ree n HIS 144 Ca 0.03 0.44 -0.10 0.00 -0.26 0.00 0.00 57.72 57.83 1ree n HIS 144 Cb 0.45 -2.36 -0.04 0.00 1.12 0.00 0.00 29.99 29.16 1ree n HIS 144 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1ree s ARG 145 N -2.70 1.26 0.00 -0.41 1.70 -0.78 -5.02 118.95 113.00 1ree s ARG 145 Ca 0.69 -0.71 0.00 0.00 -0.47 0.00 0.00 55.73 55.23 1ree s ARG 145 Cb -0.44 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.47 1ree s ARG 145 CO 0.52 -0.53 0.56 0.43 -1.08 0.00 0.00 175.30 175.20 1ree n SER 146 N -0.31 1.13 -3.85 -2.89 7.64 -1.26 -4.18 113.62 109.89 1ree n SER 146 Ca -0.14 -1.15 -0.12 0.00 1.01 0.00 0.00 58.87 58.48 1ree n SER 146 Cb 0.63 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.72 1ree n SER 146 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ree s SER 147 N -0.15 -0.05 0.00 6.43 0.01 -1.26 -3.66 113.70 115.01 1ree s SER 147 Ca 0.00 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1ree s SER 147 Cb 0.00 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1ree s SER 147 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1ree n GLY 148 N 2.35 -0.75 3.13 3.44 0.00 -0.05 -4.99 105.19 108.32 1ree n GLY 148 Ca -0.17 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 1ree n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ree s SER 149 N -4.00 1.94 -0.22 1.61 0.01 -1.26 -1.36 113.70 110.42 1ree s SER 149 Ca 0.00 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 56.96 1ree s SER 149 Cb 0.00 -0.35 0.03 0.00 0.21 0.00 0.00 66.02 65.92 1ree s SER 149 CO 0.00 0.17 -0.14 -0.69 0.41 0.00 0.00 173.24 173.00 1ree s VAL 150 N -0.20 2.32 -0.76 3.43 1.01 0.81 -4.85 120.40 122.16 1ree s VAL 150 Ca 0.02 -1.16 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 1ree s VAL 150 Cb -0.08 -2.15 0.07 0.00 0.00 0.00 0.00 36.38 34.22 1ree s VAL 150 CO 0.00 0.28 1.09 0.21 0.00 0.00 0.00 175.10 176.69 1ree s ASN 151 N 1.25 6.29 0.38 3.32 3.84 -1.26 -1.05 114.94 127.70 1ree s ASN 151 Ca -0.00 -1.15 0.08 0.00 0.21 0.00 0.00 52.86 52.00 1ree s ASN 151 Cb -0.16 -2.45 0.83 0.00 -0.55 0.00 0.00 41.25 38.92 1ree s ASN 151 CO -0.08 -1.44 1.96 0.71 -2.79 0.00 0.00 177.10 175.45 1ree h THR 152 N 6.03 0.97 -0.85 -5.21 1.35 -1.69 -2.58 112.91 110.93 1ree h THR 152 Ca -0.16 -0.22 0.11 0.00 -0.55 0.00 0.00 66.41 65.59 1ree h THR 152 Cb 1.05 0.26 -0.06 0.00 -1.73 0.00 0.00 68.15 67.67 1ree h THR 152 CO 1.21 0.12 0.55 0.00 -0.25 0.00 0.00 175.52 177.15 1ree h ALA 153 N 1.63 1.76 -0.82 6.62 0.00 -1.77 -0.58 119.26 126.11 1ree h ALA 153 Ca 0.31 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1ree h ALA 153 Cb 0.38 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1ree h ALA 153 CO -0.11 0.04 0.54 -0.91 0.00 0.00 0.00 179.25 178.82 1ree h ASN 154 N 0.75 0.94 0.02 0.00 2.35 -1.79 -0.58 115.58 117.26 1ree h ASN 154 Ca 0.40 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 56.02 1ree h ASN 154 Cb 0.54 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.68 1ree h ASN 154 CO -0.17 0.68 -0.45 0.45 -1.65 0.00 0.00 177.43 176.30 1ree h HIS 155 N 1.11 0.42 -0.67 1.19 3.86 -1.28 -2.54 115.15 117.24 1ree h HIS 155 Ca 0.30 -0.24 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1ree h HIS 155 Cb -0.12 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 1ree h HIS 155 CO 0.00 1.07 0.41 0.74 0.86 0.00 0.00 177.93 181.01 1ree h PHE 156 N -0.35 0.87 -0.38 2.45 0.04 -1.07 0.48 116.94 118.98 1ree h PHE 156 Ca -0.06 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.56 1ree h PHE 156 Cb 1.21 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 39.06 1ree h PHE 156 CO 0.17 0.58 -0.37 -0.97 -0.60 0.00 0.00 178.31 177.12 1ree h ASN 157 N 0.92 0.95 -0.51 2.17 -1.24 -1.17 -0.14 115.58 116.56 1ree h ASN 157 Ca 0.24 -0.43 -0.09 0.00 0.71 0.00 0.00 56.30 56.73 1ree h ASN 157 Cb -0.05 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.72 1ree h ASN 157 CO -0.05 1.21 -0.05 0.00 -1.29 0.00 0.00 177.43 177.26 1ree h ALA 158 N 0.84 0.70 -0.56 1.57 0.00 -0.94 -2.10 119.26 118.76 1ree h ALA 158 Ca 0.07 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1ree h ALA 158 Cb 0.95 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1ree h ALA 158 CO 0.09 0.55 -0.00 -1.49 0.00 0.00 0.00 179.25 178.40 1ree h TRP 159 N 0.80 1.05 -0.75 0.00 6.55 -0.79 -2.61 115.95 120.20 1ree h TRP 159 Ca 0.14 -0.17 0.02 0.00 0.95 0.00 0.00 58.89 59.83 1ree h TRP 159 Cb 0.59 -0.28 -0.04 0.00 -0.86 0.00 0.00 29.16 28.57 1ree h TRP 159 CO 0.04 0.94 0.49 0.00 -1.05 0.00 0.00 178.44 178.87 1ree h ALA 160 N 1.09 1.51 0.00 1.49 0.00 -0.72 -0.52 119.26 122.11 1ree h ALA 160 Ca 0.16 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ree h ALA 160 Cb 0.53 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ree h ALA 160 CO 0.03 0.44 -0.28 1.96 0.00 0.00 0.00 179.25 181.40 1ree h GLN 161 N 0.97 0.00 -0.01 0.00 7.50 -1.00 -2.44 115.11 120.12 1ree h GLN 161 Ca 0.28 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.43 1ree h GLN 161 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.48 1ree h GLN 161 CO -0.07 0.28 0.00 1.04 -1.50 0.00 0.00 178.83 178.58 1ree n GLN 162 N -3.93 1.52 0.00 1.46 1.13 -0.29 -4.91 117.38 112.36 1ree n GLN 162 Ca -0.02 -0.75 0.00 0.00 -1.94 0.00 0.00 57.00 54.29 1ree n GLN 162 Cb 0.35 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.22 1ree n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ree n GLY 163 N 1.13 0.92 3.76 1.08 0.00 -0.92 -5.10 105.19 106.06 1ree n GLY 163 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1ree n GLY 163 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ree s LEU 164 N 0.00 4.59 -0.47 0.99 2.96 -0.67 -4.98 118.68 121.10 1ree s LEU 164 Ca 0.00 1.76 0.05 0.00 -0.22 0.00 0.00 54.13 55.72 1ree s LEU 164 Cb 0.00 -3.45 0.18 0.00 0.50 0.00 0.00 46.19 43.42 1ree s LEU 164 CO 0.00 0.13 0.41 1.07 -1.32 0.00 0.00 176.35 176.64 1ree n THR 165 N 1.84 -0.47 -1.67 3.68 5.66 -1.26 -3.97 114.28 118.09 1ree n THR 165 Ca -0.03 -3.84 -0.43 0.00 -3.05 0.00 0.00 64.05 56.69 1ree n THR 165 Cb 0.48 -1.81 -0.01 0.00 -1.55 0.00 0.00 70.33 67.44 1ree n THR 165 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ree n LEU 166 N 2.40 3.12 0.00 1.09 4.77 -1.26 -4.36 117.00 122.76 1ree n LEU 166 Ca 0.27 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.44 1ree n LEU 166 Cb 0.46 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1ree n LEU 166 CO 0.14 -0.67 0.00 0.61 -1.33 0.00 0.00 177.39 176.14 1ree n GLY 167 N 1.07 0.22 3.65 -0.72 0.00 -1.25 -4.88 105.19 103.27 1ree n GLY 167 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1ree n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ree s THR 168 N 1.87 5.00 0.06 2.61 2.01 -0.08 -4.88 115.64 122.23 1ree s THR 168 Ca 0.00 1.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.87 1ree s THR 168 Cb 0.00 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 1ree s THR 168 CO 0.00 0.07 1.10 -0.04 -0.69 0.00 0.00 174.62 175.06 1ree s MET 169 N 2.18 4.51 0.00 4.92 1.00 -1.26 -0.35 119.30 130.30 1ree s MET 169 Ca 0.28 1.63 0.00 0.00 0.00 0.00 0.00 55.69 57.60 1ree s MET 169 Cb -0.16 -3.38 0.00 0.00 0.00 0.00 0.00 34.83 31.30 1ree s MET 169 CO 0.09 -0.12 0.00 -3.47 0.00 0.00 0.00 175.02 171.52 1ree n ASP 170 N 3.65 0.00 -4.76 3.03 2.03 -0.39 -4.40 116.55 115.72 1ree n ASP 170 Ca 0.07 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.06 1ree n ASP 170 Cb 0.48 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.96 1ree n ASP 170 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1ree s TYR 171 N 4.37 2.47 -0.22 -0.67 -0.85 -1.26 -0.71 117.35 120.47 1ree s TYR 171 Ca 0.00 1.58 -0.03 0.00 -0.52 0.00 0.00 57.07 58.10 1ree s TYR 171 Cb 0.00 -3.15 0.11 0.00 0.38 0.00 0.00 41.96 39.29 1ree s TYR 171 CO 0.00 -1.91 0.26 -1.14 -1.52 0.00 0.00 175.55 171.24 1ree s GLN 172 N -4.49 0.24 0.22 -3.49 0.74 0.07 -2.59 119.66 110.36 1ree s GLN 172 Ca 0.65 0.20 0.03 0.00 0.05 0.00 0.00 55.36 56.28 1ree s GLN 172 Cb -0.20 -1.02 -0.05 0.00 1.10 0.00 0.00 33.01 32.85 1ree s GLN 172 CO 0.50 -0.71 0.02 0.96 -0.55 0.00 0.00 175.29 175.50 1ree s ILE 173 N 2.36 0.84 -0.28 -2.34 -4.36 0.03 -0.55 121.20 116.90 1ree s ILE 173 Ca 0.08 -2.01 -0.12 0.00 -0.26 0.00 0.00 60.65 58.35 1ree s ILE 173 Cb -0.15 -2.32 -0.05 0.00 1.25 0.00 0.00 42.46 41.19 1ree s ILE 173 CO -0.16 -0.32 0.22 -0.69 0.24 0.00 0.00 174.94 174.23 1ree s VAL 174 N -3.55 5.29 0.10 8.37 1.01 -0.48 0.03 120.40 131.17 1ree s VAL 174 Ca 0.28 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1ree s VAL 174 Cb 0.06 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1ree s VAL 174 CO 0.08 0.23 -0.10 0.00 0.00 0.00 0.00 175.10 175.31 1ree s ALA 175 N 1.81 1.16 -0.19 5.51 0.00 0.13 -2.82 121.76 127.36 1ree s ALA 175 Ca 0.08 -1.24 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 1ree s ALA 175 Cb -0.16 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1ree s ALA 175 CO 0.11 -0.06 0.00 0.08 0.00 0.00 0.00 175.76 175.89 1ree s VAL 176 N -2.65 4.08 -0.04 0.00 1.01 -0.38 -1.54 120.40 120.87 1ree s VAL 176 Ca 0.08 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1ree s VAL 176 Cb -0.01 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1ree s VAL 176 CO -0.00 0.44 -0.18 -0.70 0.00 0.00 0.00 175.10 174.66 1ree s GLU 177 N 0.81 2.39 0.05 2.72 2.12 -0.01 -1.97 118.70 124.82 1ree s GLU 177 Ca 0.01 -0.76 0.04 0.00 0.36 0.00 0.00 54.97 54.61 1ree s GLU 177 Cb -0.14 -2.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.94 1ree s GLU 177 CO 0.02 0.60 -0.12 0.20 -0.54 0.00 0.00 175.26 175.42 1ree s GLY 178 N -0.69 0.72 -0.31 -1.50 0.00 -0.23 -1.18 107.32 104.13 1ree s GLY 178 Ca 0.11 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.96 1ree s GLY 178 CO 0.00 -0.87 0.13 -0.47 0.00 0.00 0.00 173.10 171.89 1ree s TYR 179 N -1.13 0.94 -1.23 1.90 5.04 -0.66 -1.57 117.35 120.65 1ree s TYR 179 Ca -0.03 -1.33 -0.19 0.00 -2.44 0.00 0.00 57.07 53.09 1ree s TYR 179 Cb -0.09 -1.25 0.01 0.00 0.35 0.00 0.00 41.96 40.98 1ree s TYR 179 CO 0.01 -0.85 0.65 1.19 -1.34 0.00 0.00 175.55 175.22 1ree n PHE 180 N 4.93 -1.71 -2.74 4.97 3.01 0.56 -4.43 117.46 122.07 1ree n PHE 180 Ca -0.02 0.44 0.00 0.00 1.01 0.00 0.00 57.45 58.87 1ree n PHE 180 Cb 0.41 -3.34 0.00 0.00 -0.01 0.00 0.00 39.48 36.54 1ree n PHE 180 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1ree n SER 181 N -2.64 0.00 -4.22 4.37 3.41 -1.26 -4.76 113.62 108.53 1ree n SER 181 Ca -0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.33 1ree n SER 181 Cb 0.61 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.46 1ree n SER 181 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ree s SER 182 N 1.25 0.56 0.00 4.04 0.01 -0.94 -1.12 113.70 117.51 1ree s SER 182 Ca 0.00 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 55.95 1ree s SER 182 Cb 0.00 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1ree s SER 182 CO 0.00 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.51 1ree n GLY 183 N -0.26 -1.46 3.25 3.44 0.00 0.15 -0.14 105.19 110.18 1ree n GLY 183 Ca -0.02 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 1ree n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ree s SER 184 N -1.04 -0.19 -0.14 1.61 1.04 -0.66 -1.31 113.70 113.01 1ree s SER 184 Ca 0.00 0.02 -0.25 0.00 0.48 0.00 0.00 55.95 56.20 1ree s SER 184 Cb 0.00 0.34 0.06 0.00 0.10 0.00 0.00 66.02 66.52 1ree s SER 184 CO 0.00 -0.51 0.62 0.00 0.98 0.00 0.00 173.24 174.33 1ree s ALA 185 N -1.73 -1.57 -0.21 5.32 0.00 -0.22 -0.53 121.76 122.82 1ree s ALA 185 Ca -0.11 1.44 -0.04 0.00 0.00 0.00 0.00 51.96 53.25 1ree s ALA 185 Cb -0.04 -0.50 0.07 0.00 0.00 0.00 0.00 23.12 22.66 1ree s ALA 185 CO 0.02 -0.32 0.10 0.45 0.00 0.00 0.00 175.76 176.00 1ree s SER 186 N -0.47 2.78 -0.02 0.00 0.15 0.12 -1.24 113.70 115.02 1ree s SER 186 Ca -0.06 -0.85 0.06 0.00 0.70 0.00 0.00 55.95 55.80 1ree s SER 186 Cb -0.03 -0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 63.95 1ree s SER 186 CO 0.05 -0.37 -0.22 -0.63 1.20 0.00 0.00 173.24 173.27 1ree s ILE 187 N 2.09 1.71 -0.13 6.45 -1.09 -0.44 -0.71 121.20 129.09 1ree s ILE 187 Ca 0.04 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.57 1ree s ILE 187 Cb -0.16 -1.43 0.00 0.00 -1.58 0.00 0.00 42.46 39.29 1ree s ILE 187 CO -0.18 0.48 -0.21 -0.89 -1.23 0.00 0.00 174.94 172.92 1ree s THR 188 N -0.42 2.22 0.19 2.92 2.01 0.29 -1.04 115.64 121.83 1ree s THR 188 Ca 0.06 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.18 1ree s THR 188 Cb -0.09 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1ree s THR 188 CO -0.00 0.55 0.12 0.68 -0.69 0.00 0.00 174.62 175.27 1ree s VAL 189 N 0.64 4.29 0.00 3.82 -7.23 0.30 -1.78 120.40 120.43 1ree s VAL 189 Ca -0.11 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1ree s VAL 189 Cb -0.16 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.56 1ree s VAL 189 CO 0.02 -0.18 0.00 -1.54 -0.31 0.00 0.00 175.10 173.09