#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 1.09 0.62 12.58 -4.36 -0.90 -4.99 121.20 125.25 1ree s ILE 3 Ca 0.00 -2.04 -0.05 0.00 -0.26 0.00 0.00 60.65 58.30 1ree s ILE 3 Cb 0.00 -2.30 0.03 0.00 1.25 0.00 0.00 42.46 41.44 1ree s ILE 3 CO 0.00 -0.37 0.92 -1.10 0.24 0.00 0.00 174.94 174.63 1ree s GLN 4 N -3.84 2.57 0.19 0.37 -0.21 -1.26 -4.53 119.66 112.95 1ree s GLN 4 Ca 0.27 -0.25 -0.32 0.00 0.02 0.00 0.00 55.36 55.08 1ree s GLN 4 Cb 0.05 -2.28 -0.15 0.00 1.00 0.00 0.00 33.01 31.63 1ree s GLN 4 CO 0.08 -0.90 1.17 -2.30 -2.12 0.00 0.00 175.29 171.21 1ree n PRO 5 N -2.66 1.26 -3.36 2.91 -0.02 -1.26 -4.93 135.00 126.94 1ree n PRO 5 Ca 0.06 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1ree n PRO 5 Cb 0.59 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1ree n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ree n GLY 6 N 1.95 -1.66 3.26 -1.23 0.00 -0.15 -4.99 105.19 102.36 1ree n GLY 6 Ca 0.14 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.22 0.48 -5.00 2.61 -4.23 -1.26 -1.20 115.64 104.82 1ree s THR 7 Ca 0.00 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1ree s THR 7 Cb 0.00 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1ree s THR 7 CO 0.00 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1ree n GLY 8 N -0.31 -0.54 3.30 3.99 0.00 -1.07 -4.99 105.19 105.57 1ree n GLY 8 Ca -0.03 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.98 2.35 -0.08 1.61 2.02 -1.26 -0.74 117.35 118.28 1ree s TYR 9 Ca 0.00 -0.49 -0.03 0.00 -0.37 0.00 0.00 57.07 56.19 1ree s TYR 9 Cb 0.00 -1.52 0.04 0.00 -0.40 0.00 0.00 41.96 40.08 1ree s TYR 9 CO 0.00 -0.07 0.08 1.21 -1.57 0.00 0.00 175.55 175.20 1ree s ASN 10 N -0.54 1.40 -1.50 2.29 3.84 0.14 -4.86 114.94 115.72 1ree s ASN 10 Ca 0.08 -0.07 -0.01 0.00 0.21 0.00 0.00 52.86 53.07 1ree s ASN 10 Cb -0.11 -0.12 0.00 0.00 -0.55 0.00 0.00 41.25 40.48 1ree s ASN 10 CO -0.00 -0.28 0.08 0.59 -2.79 0.00 0.00 177.10 174.70 1ree n ASN 11 N 5.30 -5.18 0.00 -4.21 3.02 -1.26 -1.74 115.26 111.18 1ree n ASN 11 Ca -0.04 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1ree n ASN 11 Cb 0.50 -4.32 0.00 0.00 -0.61 0.00 0.00 39.78 35.34 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 -1.00 0.16 3.35 7.41 0.00 -1.26 -4.56 105.19 109.29 1ree n GLY 12 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.00 2.33 0.42 1.61 1.51 -0.71 -5.05 117.35 115.46 1ree s TYR 13 Ca 0.00 -0.41 -0.24 0.00 -1.01 0.00 0.00 57.07 55.41 1ree s TYR 13 Cb 0.00 -1.40 -0.08 0.00 -0.11 0.00 0.00 41.96 40.36 1ree s TYR 13 CO 0.00 0.12 1.10 0.12 -1.11 0.00 0.00 175.55 175.78 1ree s PHE 14 N -0.79 3.10 0.08 2.71 5.36 -0.51 0.28 117.98 128.21 1ree s PHE 14 Ca 0.12 1.59 0.01 0.00 -0.96 0.00 0.00 56.93 57.69 1ree s PHE 14 Cb -0.10 -3.24 -0.04 0.00 -0.34 0.00 0.00 43.02 39.30 1ree s PHE 14 CO 0.02 -1.02 -0.06 1.52 -1.46 0.00 0.00 175.22 174.22 1ree s TYR 15 N -1.60 0.78 -0.16 10.12 -0.85 0.08 -0.17 117.35 125.56 1ree s TYR 15 Ca 0.60 -0.89 -0.08 0.00 -0.52 0.00 0.00 57.07 56.18 1ree s TYR 15 Cb -0.25 -0.47 0.06 0.00 0.38 0.00 0.00 41.96 41.67 1ree s TYR 15 CO 0.31 -0.19 0.38 0.45 -1.52 0.00 0.00 175.55 174.98 1ree s SER 16 N -2.83 -0.43 -0.04 -0.18 0.15 -0.82 -2.59 113.70 106.96 1ree s SER 16 Ca 0.08 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1ree s SER 16 Cb 0.04 0.74 0.03 0.00 -1.71 0.00 0.00 66.02 65.12 1ree s SER 16 CO -0.05 -0.19 -0.00 -0.47 1.20 0.00 0.00 173.24 173.72 1ree s TYR 17 N 1.49 0.44 0.01 3.44 5.04 -0.35 -1.75 117.35 125.68 1ree s TYR 17 Ca -0.09 -0.05 -0.04 0.00 -2.44 0.00 0.00 57.07 54.46 1ree s TYR 17 Cb -0.09 -0.53 -0.01 0.00 0.35 0.00 0.00 41.96 41.68 1ree s TYR 17 CO -0.12 -0.18 0.06 -0.46 -1.34 0.00 0.00 175.55 173.51 1ree s TRP 18 N 1.25 0.12 0.08 4.97 -0.00 0.13 -0.97 118.94 124.51 1ree s TRP 18 Ca -0.06 -0.25 -0.11 0.00 -0.00 0.00 0.00 56.10 55.67 1ree s TRP 18 Cb -0.13 -0.10 0.01 0.00 -0.00 0.00 0.00 33.47 33.25 1ree s TRP 18 CO -0.02 -0.21 0.26 0.54 -0.00 0.00 0.00 176.95 177.52 1ree s ASN 19 N -1.21 -0.01 0.00 5.86 2.20 -1.26 -0.91 114.94 119.62 1ree s ASN 19 Ca -0.13 -0.47 0.08 0.00 -0.94 0.00 0.00 52.86 51.40 1ree s ASN 19 Cb -0.08 0.37 0.48 0.00 -2.00 0.00 0.00 41.25 40.02 1ree s ASN 19 CO 0.00 -0.72 1.26 -0.90 -2.94 0.00 0.00 177.10 173.80 1ree n ASP 20 N 0.09 0.00 0.00 3.54 5.75 -0.62 -4.87 116.55 120.45 1ree n ASP 20 Ca -0.16 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1ree n ASP 20 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 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 0.56 0.71 0.28 6.12 0.00 -1.26 -4.93 105.19 106.67 1ree n GLY 21 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1ree n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1ree h HIS 22 N 0.00 1.08 0.00 1.61 6.17 -1.91 -3.50 115.15 118.61 1ree h HIS 22 Ca 0.00 -0.28 0.00 0.00 0.71 0.00 0.00 60.37 60.80 1ree h HIS 22 Cb 0.00 -0.25 0.00 0.00 2.52 0.00 0.00 27.41 29.68 1ree h HIS 22 CO 0.00 1.08 0.00 0.41 0.71 0.00 0.00 177.93 180.13 1ree n GLY 23 N -0.07 1.73 0.53 5.26 0.00 -1.26 -4.85 105.19 106.53 1ree n GLY 23 Ca -0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 1.89 0.83 3.28 -0.02 0.00 -1.26 -3.63 105.19 106.27 1ree n GLY 24 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.09 1.88 -0.20 1.61 1.01 -1.26 -0.35 120.40 121.00 1ree s VAL 25 Ca 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 1ree s VAL 25 Cb 0.00 -1.57 0.06 0.00 0.00 0.00 0.00 36.38 34.87 1ree s VAL 25 CO 0.00 0.51 0.03 -0.89 0.00 0.00 0.00 175.10 174.75 1ree s THR 26 N -0.58 0.60 -0.15 3.92 2.01 -0.08 -5.01 115.64 116.35 1ree s THR 26 Ca 0.09 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 1ree s THR 26 Cb -0.09 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1ree s THR 26 CO -0.01 -0.20 0.06 -0.47 -0.69 0.00 0.00 174.62 173.32 1ree s TYR 27 N 1.82 3.28 -0.05 4.92 5.04 -1.26 -1.60 117.35 129.50 1ree s TYR 27 Ca -0.01 0.16 0.01 0.00 -2.44 0.00 0.00 57.07 54.78 1ree s TYR 27 Cb -0.17 -2.00 0.02 0.00 0.35 0.00 0.00 41.96 40.16 1ree s TYR 27 CO -0.08 0.30 -0.05 0.99 -1.34 0.00 0.00 175.55 175.37 1ree s THR 28 N -0.08 0.62 -0.05 4.34 2.01 -0.30 -2.11 115.64 120.06 1ree s THR 28 Ca 0.07 -0.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.66 1ree s THR 28 Cb -0.12 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1ree s THR 28 CO 0.01 0.25 0.82 0.20 -0.69 0.00 0.00 174.62 175.21 1ree s ASN 29 N 1.08 7.13 0.07 3.53 0.01 -1.26 -1.15 114.94 124.35 1ree s ASN 29 Ca -0.08 1.37 0.01 0.00 -0.71 0.00 0.00 52.86 53.44 1ree s ASN 29 Cb -0.14 -2.48 0.01 0.00 0.41 0.00 0.00 41.25 39.05 1ree s ASN 29 CO -0.01 -0.20 0.05 0.61 -1.51 0.00 0.00 177.10 176.05 1ree n GLY 30 N 3.06 2.96 3.77 0.66 0.00 0.11 -4.74 105.19 111.00 1ree n GLY 30 Ca 0.02 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 1ree n GLY 30 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ree s PRO 31 N -2.27 3.83 6.23 1.61 0.02 -1.26 -4.37 135.00 138.79 1ree s PRO 31 Ca 0.04 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1ree s PRO 31 Cb -0.00 -2.73 0.00 0.00 0.02 0.00 0.00 34.50 31.78 1ree s PRO 31 CO 0.02 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 1ree n GLY 32 N 0.59 3.58 1.56 0.52 0.00 -1.26 -1.56 105.19 108.62 1ree n GLY 32 Ca 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 2.82 3.88 -0.02 0.00 -1.26 -4.64 105.19 105.97 1ree n GLY 33 Ca 0.00 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.24 3.64 -0.00 1.61 0.74 -0.60 -0.50 119.66 122.31 1ree s GLN 34 Ca 0.38 0.02 -0.10 0.00 0.05 0.00 0.00 55.36 55.71 1ree s GLN 34 Cb 0.30 -3.06 0.01 0.00 1.10 0.00 0.00 33.01 31.36 1ree s GLN 34 CO 0.10 0.63 0.19 -0.59 -0.55 0.00 0.00 175.29 175.07 1ree s PHE 35 N -1.32 -0.02 0.01 1.67 -0.71 -0.52 0.07 117.98 117.15 1ree s PHE 35 Ca 0.29 -0.02 0.05 0.00 -1.04 0.00 0.00 56.93 56.20 1ree s PHE 35 Cb -0.14 -0.00 -0.02 0.00 -1.21 0.00 0.00 43.02 41.66 1ree s PHE 35 CO 0.16 -0.32 -0.15 -1.12 -1.34 0.00 0.00 175.22 172.45 1ree s SER 36 N -1.40 1.73 -0.06 1.98 0.01 -0.30 -1.69 113.70 113.97 1ree s SER 36 Ca -0.14 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.79 1ree s SER 36 Cb -0.07 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.02 1ree s SER 36 CO 0.02 0.13 -0.06 -0.69 0.41 0.00 0.00 173.24 173.05 1ree s VAL 37 N -0.53 0.72 -0.11 3.43 1.01 -0.33 -1.15 120.40 123.44 1ree s VAL 37 Ca 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1ree s VAL 37 Cb -0.06 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1ree s VAL 37 CO 0.00 0.28 -0.15 0.20 0.00 0.00 0.00 175.10 175.43 1ree s ASN 38 N 1.07 2.38 0.04 3.32 -0.87 -0.63 -1.03 114.94 119.22 1ree s ASN 38 Ca -0.08 -0.41 0.01 0.00 -1.57 0.00 0.00 52.86 50.80 1ree s ASN 38 Cb -0.14 -1.06 -0.03 0.00 -0.02 0.00 0.00 41.25 40.00 1ree s ASN 38 CO -0.01 0.01 -0.05 -1.66 -2.57 0.00 0.00 177.10 172.83 1ree s TRP 39 N 0.99 0.49 -0.17 2.20 -2.14 -0.32 -0.90 118.94 119.10 1ree s TRP 39 Ca -0.07 -0.65 -0.05 0.00 2.66 0.00 0.00 56.10 58.00 1ree s TRP 39 Cb -0.15 -0.32 0.08 0.00 -3.10 0.00 0.00 33.47 29.98 1ree s TRP 39 CO -0.01 -0.19 0.30 0.45 -2.66 0.00 0.00 176.95 174.84 1ree s SER 40 N -1.90 0.38 -1.38 -2.66 0.15 0.52 -0.99 113.70 107.82 1ree s SER 40 Ca -0.08 0.50 -0.02 0.00 0.70 0.00 0.00 55.95 57.06 1ree s SER 40 Cb -0.05 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1ree s SER 40 CO -0.02 -0.26 0.44 0.59 1.20 0.00 0.00 173.24 175.19 1ree n ASN 41 N 5.36 -0.68 -3.07 5.45 5.03 -0.41 -4.53 115.26 122.41 1ree n ASN 41 Ca -0.06 -1.01 -0.17 0.00 0.87 0.00 0.00 54.58 54.21 1ree n ASN 41 Cb 0.50 -3.05 0.12 0.00 -1.02 0.00 0.00 39.78 36.32 1ree n ASN 41 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ree n SER 42 N -2.95 -0.09 0.00 6.41 3.41 -0.49 -4.72 113.62 115.20 1ree n SER 42 Ca -0.30 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.08 1ree n SER 42 Cb 0.68 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.04 2.79 3.76 5.00 0.00 -1.24 -3.62 105.19 111.85 1ree n GLY 43 Ca 0.09 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.36 6.15 0.12 1.61 3.04 -1.26 -1.11 114.94 123.12 1ree s ASN 44 Ca 0.00 0.28 -0.13 0.00 0.04 0.00 0.00 52.86 53.05 1ree s ASN 44 Cb 0.00 -2.04 0.02 0.00 -1.54 0.00 0.00 41.25 37.69 1ree s ASN 44 CO 0.00 0.25 0.33 0.72 -3.04 0.00 0.00 177.10 175.36 1ree s PHE 45 N -0.10 -0.05 -0.10 0.43 -0.12 -0.82 -1.59 117.98 115.65 1ree s PHE 45 Ca 0.10 -0.31 -0.04 0.00 -0.05 0.00 0.00 56.93 56.62 1ree s PHE 45 Cb -0.11 0.14 0.05 0.00 -0.63 0.00 0.00 43.02 42.47 1ree s PHE 45 CO 0.00 -0.66 0.21 0.08 -0.05 0.00 0.00 175.22 174.80 1ree s VAL 46 N -3.84 -0.17 -0.07 -2.49 1.01 -0.09 -1.85 120.40 112.92 1ree s VAL 46 Ca 0.05 0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 1ree s VAL 46 Cb 0.03 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 36.08 1ree s VAL 46 CO -0.11 0.09 0.20 -0.83 0.00 0.00 0.00 175.10 174.46 1ree s GLY 47 N 1.69 -0.13 -0.08 4.51 0.00 -0.86 -0.70 107.32 111.75 1ree s GLY 47 Ca -0.05 0.48 -0.31 0.00 0.00 0.00 0.00 44.72 44.85 1ree s GLY 47 CO -0.07 0.39 1.37 -0.32 0.00 0.00 0.00 173.10 174.47 1ree s GLY 48 N -0.11 -0.28 0.13 0.20 0.00 -0.71 -1.03 107.32 105.52 1ree s GLY 48 Ca -0.02 0.34 0.08 0.00 0.00 0.00 0.00 44.72 45.12 1ree s GLY 48 CO 0.01 5.00 -0.18 0.54 0.00 0.00 0.00 173.10 178.47 1ree s LYS 49 N -2.02 1.14 0.00 2.90 1.02 -1.11 -1.94 119.74 119.73 1ree s LYS 49 Ca 0.27 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 54.99 1ree s LYS 49 Cb 0.02 -1.21 0.00 0.00 -0.52 0.00 0.00 37.83 36.12 1ree s LYS 49 CO -0.03 0.25 0.00 0.41 -0.92 0.00 0.00 175.35 175.06 1ree n GLY 50 N 0.63 -0.49 3.18 -3.33 0.00 0.76 -1.18 105.19 104.76 1ree n GLY 50 Ca -0.16 0.33 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 1.07 -0.27 1.61 0.51 0.13 -1.42 118.94 120.57 1ree s TRP 51 Ca 0.00 -0.66 -0.00 0.00 -2.12 0.00 0.00 56.10 53.31 1ree s TRP 51 Cb 0.00 -0.58 0.14 0.00 -0.81 0.00 0.00 33.47 32.22 1ree s TRP 51 CO 0.00 0.00 0.35 -1.14 -0.51 0.00 0.00 176.95 175.65 1ree s GLN 52 N -2.86 0.35 0.60 4.98 2.00 -1.26 -1.36 119.66 122.12 1ree s GLN 52 Ca 0.06 0.11 -0.07 0.00 -2.00 0.00 0.00 55.36 53.46 1ree s GLN 52 Cb -0.02 -0.54 0.00 0.00 0.80 0.00 0.00 33.01 33.25 1ree s GLN 52 CO -0.00 -0.93 0.94 -1.25 -0.50 0.00 0.00 175.29 173.54 1ree s PRO 53 N 2.46 3.02 0.60 1.67 0.04 -1.26 -5.03 135.00 136.49 1ree s PRO 53 Ca 0.10 0.16 0.01 0.00 0.04 0.00 0.00 61.00 61.30 1ree s PRO 53 Cb -0.14 -2.22 0.12 0.00 0.04 0.00 0.00 34.50 32.30 1ree s PRO 53 CO -0.27 -0.71 0.83 0.41 0.04 0.00 0.00 177.00 177.30 1ree n GLY 54 N -2.64 0.81 3.53 0.56 0.00 -0.28 -4.90 105.19 102.26 1ree n GLY 54 Ca 0.05 -2.04 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 1ree n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ree s THR 55 N -2.52 0.99 -2.40 2.61 -4.23 -1.26 -4.76 115.64 104.07 1ree s THR 55 Ca 0.56 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.32 1ree s THR 55 Cb -0.03 -2.54 0.32 0.00 1.34 0.00 0.00 72.50 71.58 1ree s THR 55 CO 0.37 0.00 1.49 0.29 -0.54 0.00 0.00 174.62 176.22 1ree n LYS 56 N -0.87 1.60 -0.33 3.99 5.02 -1.26 -4.20 118.16 122.11 1ree n LYS 56 Ca -0.06 -1.12 0.03 0.00 -2.02 0.00 0.00 58.31 55.14 1ree n LYS 56 Cb 0.66 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 34.24 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 0.28 0.78 -4.76 4.39 0.23 -1.26 -3.57 115.26 111.34 1ree n ASN 57 Ca 0.15 -2.29 -0.40 0.00 -0.53 0.00 0.00 54.58 51.51 1ree n ASN 57 Cb 0.43 -0.26 -0.03 0.00 -2.08 0.00 0.00 39.78 37.84 1ree n ASN 57 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1ree s LYS 58 N -0.92 4.53 -0.32 -3.83 2.20 -1.26 -4.72 119.74 115.43 1ree s LYS 58 Ca 0.10 1.95 -0.09 0.00 -0.36 0.00 0.00 55.97 57.58 1ree s LYS 58 Cb 0.09 -3.15 0.01 0.00 -1.51 0.00 0.00 37.83 33.26 1ree s LYS 58 CO 0.01 0.06 0.13 0.08 -0.36 0.00 0.00 175.35 175.27 1ree s VAL 59 N -1.11 4.32 -0.21 4.02 1.01 -1.26 -2.20 120.40 124.96 1ree s VAL 59 Ca 0.46 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 1ree s VAL 59 Cb -0.35 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1ree s VAL 59 CO 0.45 0.01 0.12 -0.63 0.00 0.00 0.00 175.10 175.06 1ree s ILE 60 N 1.55 5.24 -0.04 2.22 1.01 0.71 -4.91 121.20 126.98 1ree s ILE 60 Ca 0.03 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1ree s ILE 60 Cb -0.18 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1ree s ILE 60 CO 0.05 0.41 -0.00 0.20 0.00 0.00 0.00 174.94 175.59 1ree s ASN 61 N 0.63 5.12 0.00 3.58 0.01 -0.90 0.15 114.94 123.53 1ree s ASN 61 Ca 0.07 0.05 -0.16 0.00 -0.71 0.00 0.00 52.86 52.10 1ree s ASN 61 Cb -0.12 -1.37 0.03 0.00 0.41 0.00 0.00 41.25 40.19 1ree s ASN 61 CO 0.01 0.33 0.35 0.72 -1.51 0.00 0.00 177.10 177.00 1ree s PHE 62 N -0.98 -0.22 0.17 2.20 -0.71 -0.50 -1.89 117.98 116.05 1ree s PHE 62 Ca 0.16 0.27 -0.23 0.00 -1.04 0.00 0.00 56.93 56.09 1ree s PHE 62 Cb -0.11 0.14 0.07 0.00 -1.21 0.00 0.00 43.02 41.90 1ree s PHE 62 CO 0.06 -0.46 0.63 -1.54 -1.34 0.00 0.00 175.22 172.57 1ree s SER 63 N -1.57 -0.52 0.00 1.98 1.04 -0.87 -1.06 113.70 112.70 1ree s SER 63 Ca -0.10 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1ree s SER 63 Cb -0.03 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1ree s SER 63 CO 0.02 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1ree n GLY 64 N -0.38 0.72 3.35 7.32 0.00 -1.25 -0.33 105.19 114.61 1ree n GLY 64 Ca -0.15 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 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 3.43 -0.23 1.61 1.04 0.27 -4.76 113.70 111.06 1ree s SER 65 Ca 0.00 -0.40 -0.02 0.00 0.48 0.00 0.00 55.95 56.01 1ree s SER 65 Cb 0.00 -0.81 0.07 0.00 0.10 0.00 0.00 66.02 65.38 1ree s SER 65 CO 0.00 0.28 0.05 -0.47 0.98 0.00 0.00 173.24 174.08 1ree s TYR 66 N -0.36 1.27 -0.63 5.02 5.04 -1.26 -0.41 117.35 126.01 1ree s TYR 66 Ca 0.03 -1.14 0.05 0.00 -2.44 0.00 0.00 57.07 53.57 1ree s TYR 66 Cb -0.12 -1.23 0.17 0.00 0.35 0.00 0.00 41.96 41.13 1ree s TYR 66 CO 0.02 -0.70 0.45 -0.80 -1.34 0.00 0.00 175.55 173.18 1ree s ASN 67 N 1.77 4.08 0.36 4.32 0.01 0.16 -5.02 114.94 120.61 1ree s ASN 67 Ca 0.01 -3.64 -0.25 0.00 -0.71 0.00 0.00 52.86 48.27 1ree s ASN 67 Cb -0.17 -1.37 -0.10 0.00 0.41 0.00 0.00 41.25 40.02 1ree s ASN 67 CO -0.13 -0.11 1.00 -2.16 -1.51 0.00 0.00 177.10 174.19 1ree s PRO 68 N -1.07 4.40 -0.60 -0.60 0.04 -1.26 -2.06 135.00 133.85 1ree s PRO 68 Ca 0.26 1.42 0.06 0.00 0.04 0.00 0.00 61.00 62.78 1ree s PRO 68 Cb -0.04 -2.69 0.23 0.00 0.04 0.00 0.00 34.50 32.04 1ree s PRO 68 CO -0.17 0.09 0.63 -1.71 0.04 0.00 0.00 177.00 175.89 1ree n ASN 69 N 0.28 2.80 0.00 6.66 5.15 0.34 -4.94 115.26 125.54 1ree n ASN 69 Ca 0.03 -3.21 0.00 0.00 -0.60 0.00 0.00 54.58 50.80 1ree n ASN 69 Cb 0.50 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 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 1.31 0.27 3.62 8.20 0.00 -1.26 -2.49 105.19 114.83 1ree n GLY 70 Ca 0.26 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 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 6.52 -0.07 1.61 3.04 -1.26 -1.68 114.94 119.11 1ree s ASN 71 Ca 0.00 1.08 -0.29 0.00 0.04 0.00 0.00 52.86 53.69 1ree s ASN 71 Cb 0.00 -2.54 0.11 0.00 -1.54 0.00 0.00 41.25 37.28 1ree s ASN 71 CO 0.00 -1.23 0.90 -0.55 -3.04 0.00 0.00 177.10 173.18 1ree s SER 72 N 3.32 -0.41 0.07 -4.21 0.15 -1.26 -1.52 113.70 109.84 1ree s SER 72 Ca 0.59 0.26 0.03 0.00 0.70 0.00 0.00 55.95 57.53 1ree s SER 72 Cb -0.16 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1ree s SER 72 CO 0.27 -0.52 -0.09 -0.31 1.20 0.00 0.00 173.24 173.79 1ree s TYR 73 N -2.07 0.93 -0.16 3.44 2.02 -0.07 -0.58 117.35 120.86 1ree s TYR 73 Ca 0.00 -0.60 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 1ree s TYR 73 Cb -0.01 -0.53 0.03 0.00 -0.40 0.00 0.00 41.96 41.06 1ree s TYR 73 CO -0.02 -0.04 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.63 1ree s LEU 74 N -2.11 1.80 0.23 -1.29 2.96 0.28 -1.14 118.68 119.41 1ree s LEU 74 Ca -0.00 -0.60 -0.22 0.00 -0.22 0.00 0.00 54.13 53.08 1ree s LEU 74 Cb -0.05 -1.13 0.04 0.00 0.50 0.00 0.00 46.19 45.54 1ree s LEU 74 CO -0.00 -0.10 0.72 -0.94 -1.32 0.00 0.00 176.35 174.70 1ree s SER 75 N 1.50 -0.33 -0.24 3.68 1.04 -0.52 -0.85 113.70 117.98 1ree s SER 75 Ca 0.03 -0.43 -0.25 0.00 0.48 0.00 0.00 55.95 55.78 1ree s SER 75 Cb -0.14 0.67 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 1ree s SER 75 CO -0.09 -1.20 0.84 -0.69 0.98 0.00 0.00 173.24 173.08 1ree s VAL 76 N -3.80 4.83 -0.01 5.02 1.01 -0.39 -0.10 120.40 126.94 1ree s VAL 76 Ca 0.09 1.60 0.05 0.00 0.00 0.00 0.00 61.98 63.72 1ree s VAL 76 Cb -0.04 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1ree s VAL 76 CO 0.01 -0.07 -0.17 -0.47 0.00 0.00 0.00 175.10 174.41 1ree s TYR 77 N 2.81 1.50 0.08 5.22 5.04 0.36 -0.87 117.35 131.48 1ree s TYR 77 Ca 0.36 -0.29 -0.10 0.00 -2.44 0.00 0.00 57.07 54.60 1ree s TYR 77 Cb -0.15 -0.97 0.03 0.00 0.35 0.00 0.00 41.96 41.22 1ree s TYR 77 CO 0.08 -0.03 0.48 0.41 -1.34 0.00 0.00 175.55 175.14 1ree n GLY 78 N 2.70 0.94 3.18 8.97 0.00 -0.95 -1.06 105.19 118.98 1ree n GLY 78 Ca -0.15 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.11 0.97 0.06 1.61 0.52 -1.07 -1.06 118.94 115.86 1ree s TRP 79 Ca 0.11 -0.86 0.02 0.00 0.02 0.00 0.00 56.10 55.39 1ree s TRP 79 Cb -0.01 -0.54 -0.03 0.00 -1.15 0.00 0.00 33.47 31.74 1ree s TRP 79 CO 0.02 -0.09 -0.08 0.45 0.02 0.00 0.00 176.95 177.27 1ree s SER 80 N -2.99 1.01 0.07 2.95 0.15 -0.14 -1.16 113.70 113.59 1ree s SER 80 Ca 0.12 -0.67 0.09 0.00 0.70 0.00 0.00 55.95 56.19 1ree s SER 80 Cb 0.04 0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.36 1ree s SER 80 CO -0.03 -0.25 -0.24 -0.13 1.20 0.00 0.00 173.24 173.79 1ree s ARG 81 N -2.13 1.46 -0.84 5.44 0.52 0.71 -1.77 118.95 122.34 1ree s ARG 81 Ca -0.04 -1.11 -0.03 0.00 -0.52 0.00 0.00 55.73 54.03 1ree s ARG 81 Cb -0.06 -1.70 -0.00 0.00 0.52 0.00 0.00 34.95 33.71 1ree s ARG 81 CO -0.01 0.42 0.67 0.09 0.02 0.00 0.00 175.30 176.49 1ree n ASN 82 N 1.50 -6.00 -4.84 0.23 3.02 -1.26 -0.29 115.26 107.62 1ree n ASN 82 Ca -0.18 -0.65 -0.32 0.00 -0.03 0.00 0.00 54.58 53.41 1ree n ASN 82 Cb 0.53 -3.25 -0.01 0.00 -0.61 0.00 0.00 39.78 36.44 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 -4.40 3.69 -0.38 3.52 0.04 -1.26 -3.89 135.00 132.32 1ree s PRO 83 Ca 0.07 0.93 -0.29 0.00 0.04 0.00 0.00 61.00 61.76 1ree s PRO 83 Cb -0.03 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1ree s PRO 83 CO 0.84 -0.49 1.08 -1.17 0.04 0.00 0.00 177.00 177.31 1ree s LEU 84 N -4.55 3.84 -0.00 -3.56 2.96 -1.26 -4.45 118.68 111.66 1ree s LEU 84 Ca 0.58 0.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 1ree s LEU 84 Cb -0.11 -3.52 -0.00 0.00 0.50 0.00 0.00 46.19 43.06 1ree s LEU 84 CO 0.40 -1.01 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.78 1ree s ILE 85 N 3.91 0.12 -0.15 6.68 -1.09 -0.73 -3.87 121.20 126.08 1ree s ILE 85 Ca 0.46 -0.06 -0.02 0.00 -2.23 0.00 0.00 60.65 58.79 1ree s ILE 85 Cb -0.10 -0.12 -0.02 0.00 -1.58 0.00 0.00 42.46 40.64 1ree s ILE 85 CO 0.21 0.04 -0.08 -0.70 -1.23 0.00 0.00 174.94 173.18 1ree s GLU 86 N -0.01 3.52 0.13 2.79 2.12 -1.02 -0.96 118.70 125.27 1ree s GLU 86 Ca 0.00 -0.60 0.05 0.00 0.36 0.00 0.00 54.97 54.78 1ree s GLU 86 Cb -0.01 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 1ree s GLU 86 CO -0.00 0.19 -0.11 1.52 -0.54 0.00 0.00 175.26 176.32 1ree s TYR 87 N 0.45 1.23 -0.01 5.30 -0.85 -0.22 -1.37 117.35 121.88 1ree s TYR 87 Ca -0.06 -0.68 0.00 0.00 -0.52 0.00 0.00 57.07 55.81 1ree s TYR 87 Cb -0.15 -0.64 0.01 0.00 0.38 0.00 0.00 41.96 41.56 1ree s TYR 87 CO 0.04 0.07 0.00 0.71 -1.52 0.00 0.00 175.55 174.85 1ree s TYR 88 N -2.77 0.05 -0.52 -3.49 1.51 -0.32 -2.24 117.35 109.59 1ree s TYR 88 Ca 0.11 0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.24 1ree s TYR 88 Cb -0.01 -0.10 0.14 0.00 -0.11 0.00 0.00 41.96 41.88 1ree s TYR 88 CO 0.01 -0.03 0.29 0.42 -1.11 0.00 0.00 175.55 175.13 1ree s ILE 89 N 0.33 2.18 -0.11 2.71 1.01 -0.05 -1.16 121.20 126.11 1ree s ILE 89 Ca -0.03 -3.18 -0.30 0.00 0.00 0.00 0.00 60.65 57.14 1ree s ILE 89 Cb -0.04 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 1ree s ILE 89 CO -0.01 -0.87 1.27 -0.69 0.00 0.00 0.00 174.94 174.64 1ree s VAL 90 N -0.23 4.19 -0.16 2.92 1.01 0.11 -1.27 120.40 126.98 1ree s VAL 90 Ca 0.19 1.48 0.18 0.00 0.00 0.00 0.00 61.98 63.83 1ree s VAL 90 Cb -0.22 -3.95 -0.26 0.00 0.00 0.00 0.00 36.38 31.96 1ree s VAL 90 CO -0.03 -0.08 0.23 -0.62 0.00 0.00 0.00 175.10 174.60 1ree n GLU 91 N 6.10 0.68 -3.48 2.72 -0.58 -0.03 -1.01 120.64 125.03 1ree n GLU 91 Ca 0.13 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.72 1ree n GLU 91 Cb 0.45 -1.56 -0.04 0.00 -0.57 0.00 0.00 31.44 29.72 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 -5.40 -0.62 0.15 1.62 3.04 -1.06 -2.27 114.94 110.41 1ree s ASN 92 Ca -0.09 0.42 -0.19 0.00 0.04 0.00 0.00 52.86 53.05 1ree s ASN 92 Cb 0.08 0.56 0.05 0.00 -1.54 0.00 0.00 41.25 40.39 1ree s ASN 92 CO 0.84 -0.75 0.50 0.72 -3.04 0.00 0.00 177.10 175.38 1ree s PHE 93 N -2.22 -0.33 0.00 0.43 -0.12 -1.26 -0.56 117.98 113.93 1ree s PHE 93 Ca -0.06 0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 1ree s PHE 93 Cb -0.00 0.41 0.00 0.00 -0.63 0.00 0.00 43.02 42.79 1ree s PHE 93 CO 0.01 -0.80 0.00 0.41 -0.05 0.00 0.00 175.22 174.79 1ree n GLY 94 N -0.31 0.97 0.09 1.99 0.00 0.26 -4.89 105.19 103.29 1ree n GLY 94 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1ree n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ree n THR 95 N 0.00 0.49 -4.51 2.61 -2.24 -0.67 -4.81 114.28 105.15 1ree n THR 95 Ca 0.00 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.28 1ree n THR 95 Cb 0.00 -0.57 -0.17 0.00 -2.10 0.00 0.00 70.33 67.49 1ree n THR 95 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1ree s TYR 96 N -3.08 1.67 -0.29 4.78 5.04 -1.26 -4.99 117.35 119.21 1ree s TYR 96 Ca 0.11 -0.70 -0.29 0.00 -2.44 0.00 0.00 57.07 53.75 1ree s TYR 96 Cb 0.14 -1.23 0.01 0.00 0.35 0.00 0.00 41.96 41.23 1ree s TYR 96 CO 0.58 -0.37 1.11 1.21 -1.34 0.00 0.00 175.55 176.74 1ree s ASN 97 N 0.86 6.93 0.59 4.32 3.84 -1.26 -4.81 114.94 125.41 1ree s ASN 97 Ca -0.10 1.16 0.37 0.00 0.21 0.00 0.00 52.86 54.50 1ree s ASN 97 Cb -0.15 -2.54 2.03 0.00 -0.55 0.00 0.00 41.25 40.03 1ree s ASN 97 CO 0.01 -0.87 2.14 1.55 -2.79 0.00 0.00 177.10 177.14 1ree h PRO 98 N 8.15 0.00 -0.19 0.43 0.13 -1.98 -1.84 132.00 136.70 1ree h PRO 98 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1ree h PRO 98 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ree h PRO 98 CO 1.02 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.66 1ree n SER 99 N -2.85 1.44 -4.65 1.44 3.41 -1.26 -4.87 113.62 106.28 1ree n SER 99 Ca -0.02 -1.76 -0.42 0.00 -0.26 0.00 0.00 58.87 56.40 1ree n SER 99 Cb 0.11 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.76 3.07 0.00 6.66 2.01 -0.69 -1.46 115.64 123.47 1ree s THR 100 Ca 0.28 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.36 1ree s THR 100 Cb 0.15 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.59 1ree s THR 100 CO 0.22 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 1ree n GLY 101 N 4.80 0.86 3.91 4.40 0.00 -1.26 -5.06 105.19 112.84 1ree n GLY 101 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.38 3.14 -0.33 4.61 0.00 -0.53 -5.05 121.76 121.21 1ree s ALA 102 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 51.96 51.17 1ree s ALA 102 Cb 0.00 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 1ree s ALA 102 CO 0.00 -1.02 0.34 0.99 0.00 0.00 0.00 175.76 176.08 1ree s THR 103 N -3.16 5.19 0.10 0.00 2.01 -1.00 -4.91 115.64 113.86 1ree s THR 103 Ca 0.56 0.06 -0.31 0.00 0.31 0.00 0.00 61.69 62.32 1ree s THR 103 Cb -0.11 -3.79 -0.08 0.00 0.01 0.00 0.00 72.50 68.54 1ree s THR 103 CO 0.47 -0.05 1.39 -0.75 -0.69 0.00 0.00 174.62 174.99 1ree s LYS 104 N 1.98 4.32 -0.13 4.92 2.20 -1.26 -1.97 119.74 129.79 1ree s LYS 104 Ca 0.11 2.06 0.14 0.00 -0.36 0.00 0.00 55.97 57.92 1ree s LYS 104 Cb -0.17 -3.30 -0.20 0.00 -1.51 0.00 0.00 37.83 32.65 1ree s LYS 104 CO 0.11 -0.45 0.11 1.28 -0.36 0.00 0.00 175.35 176.04 1ree n LEU 105 N 4.17 0.00 0.00 5.43 4.77 0.53 -4.97 117.00 126.93 1ree n LEU 105 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1ree n LEU 105 Cb 0.43 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1ree n LEU 105 CO 0.59 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 1ree n GLY 106 N 1.98 -0.58 3.07 -0.72 0.00 -1.21 -5.01 105.19 102.72 1ree n GLY 106 Ca -0.21 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.83 0.55 -0.11 1.61 2.02 -1.26 -0.60 118.70 120.07 1ree s GLU 107 Ca 0.00 -0.99 -0.10 0.00 0.02 0.00 0.00 54.97 53.89 1ree s GLU 107 Cb 0.00 0.20 0.03 0.00 0.10 0.00 0.00 34.13 34.46 1ree s GLU 107 CO 0.00 -0.11 0.30 0.54 0.02 0.00 0.00 175.26 176.01 1ree s VAL 108 N -3.14 -0.00 -0.21 2.63 0.11 -0.21 -4.93 120.40 114.64 1ree s VAL 108 Ca -0.00 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 1ree s VAL 108 Cb 0.02 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 1ree s VAL 108 CO -0.07 0.00 0.13 -0.89 -3.33 0.00 0.00 175.10 170.94 1ree s THR 109 N 0.22 5.36 -0.27 5.04 2.01 -1.26 0.50 115.64 127.24 1ree s THR 109 Ca -0.00 0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.96 1ree s THR 109 Cb -0.02 -3.45 0.07 0.00 0.01 0.00 0.00 72.50 69.10 1ree s THR 109 CO -0.00 0.43 0.69 -0.55 -0.69 0.00 0.00 174.62 174.49 1ree s SER 110 N 0.48 -0.81 -1.40 3.53 0.15 -0.26 -4.99 113.70 110.40 1ree s SER 110 Ca 0.08 1.44 -0.01 0.00 0.70 0.00 0.00 55.95 58.15 1ree s SER 110 Cb -0.11 1.39 0.01 0.00 -1.71 0.00 0.00 66.02 65.60 1ree s SER 110 CO -0.01 -0.24 0.49 0.47 1.20 0.00 0.00 173.24 175.15 1ree n ASP 111 N 3.36 -0.64 0.00 5.45 8.00 -1.26 -2.72 116.55 128.73 1ree n ASP 111 Ca -0.16 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1ree n ASP 111 Cb 0.57 -3.24 0.00 0.00 -0.02 0.00 0.00 41.12 38.43 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 -1.89 0.49 3.52 0.44 0.00 -1.26 -4.96 105.19 101.53 1ree n GLY 112 Ca -0.29 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.57 -0.46 0.18 1.61 0.15 -1.10 -4.97 113.70 106.54 1ree s SER 113 Ca 0.00 0.31 -0.20 0.00 0.70 0.00 0.00 55.95 56.76 1ree s SER 113 Cb 0.00 0.42 -0.08 0.00 -1.71 0.00 0.00 66.02 64.65 1ree s SER 113 CO 0.00 -0.56 0.69 -0.69 1.20 0.00 0.00 173.24 173.88 1ree s VAL 114 N -2.04 4.60 -0.01 4.45 1.01 -1.26 -1.10 120.40 126.04 1ree s VAL 114 Ca -0.02 1.28 0.08 0.00 0.00 0.00 0.00 61.98 63.32 1ree s VAL 114 Cb -0.01 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1ree s VAL 114 CO -0.01 0.30 -0.24 -0.31 0.00 0.00 0.00 175.10 174.84 1ree s TYR 115 N -1.41 2.17 -0.13 5.22 1.51 0.18 -1.99 117.35 122.90 1ree s TYR 115 Ca 0.39 -0.41 -0.14 0.00 -1.01 0.00 0.00 57.07 55.90 1ree s TYR 115 Cb -0.18 -1.39 -0.05 0.00 -0.11 0.00 0.00 41.96 40.24 1ree s TYR 115 CO 0.21 -0.03 0.33 -0.51 -1.11 0.00 0.00 175.55 174.44 1ree s ASP 116 N -0.62 6.51 -0.13 2.29 1.01 -0.52 -1.05 116.67 124.17 1ree s ASP 116 Ca 0.09 0.60 -0.11 0.00 0.71 0.00 0.00 52.55 53.85 1ree s ASP 116 Cb -0.09 -2.20 -0.05 0.00 1.01 0.00 0.00 42.92 41.59 1ree s ASP 116 CO -0.01 0.12 0.23 -0.63 0.21 0.00 0.00 175.17 175.09 1ree s ILE 117 N 0.25 5.35 0.21 0.77 1.01 0.23 -1.04 121.20 127.99 1ree s ILE 117 Ca 0.19 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.25 1ree s ILE 117 Cb -0.14 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 1ree s ILE 117 CO 0.06 0.50 0.09 -0.31 0.00 0.00 0.00 174.94 175.28 1ree s TYR 118 N -0.24 1.30 -0.08 3.97 1.51 -0.41 -0.35 117.35 123.05 1ree s TYR 118 Ca 0.15 -1.24 -0.12 0.00 -1.01 0.00 0.00 57.07 54.85 1ree s TYR 118 Cb -0.13 -0.71 0.03 0.00 -0.11 0.00 0.00 41.96 41.04 1ree s TYR 118 CO 0.04 -0.45 0.31 0.50 -1.11 0.00 0.00 175.55 174.84 1ree s ARG 119 N -4.07 0.48 0.04 -0.62 3.52 -0.83 -1.31 118.95 116.16 1ree s ARG 119 Ca 0.35 0.20 -0.08 0.00 -0.13 0.00 0.00 55.73 56.07 1ree s ARG 119 Cb 0.07 0.22 -0.00 0.00 -1.56 0.00 0.00 34.95 33.68 1ree s ARG 119 CO 0.11 -0.10 0.15 0.95 -0.81 0.00 0.00 175.30 175.61 1ree s THR 120 N -0.41 0.12 -0.11 4.11 -4.23 -0.46 -2.38 115.64 112.30 1ree s THR 120 Ca -0.05 -0.99 -0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1ree s THR 120 Cb -0.03 -0.92 -0.02 0.00 1.34 0.00 0.00 72.50 72.86 1ree s THR 120 CO 0.02 -0.55 -0.09 -1.58 -0.54 0.00 0.00 174.62 171.88 1ree s GLN 121 N -2.63 3.13 -0.30 3.99 0.74 -1.26 0.50 119.66 123.84 1ree s GLN 121 Ca -0.05 -0.61 -0.09 0.00 0.05 0.00 0.00 55.36 54.67 1ree s GLN 121 Cb -0.01 -2.65 -0.01 0.00 1.10 0.00 0.00 33.01 31.45 1ree s GLN 121 CO -0.04 0.41 0.13 1.03 -0.55 0.00 0.00 175.29 176.26 1ree s ARG 122 N -0.14 3.32 -0.20 1.67 1.81 0.57 -4.97 118.95 121.00 1ree s ARG 122 Ca 0.01 -0.72 -0.13 0.00 -1.72 0.00 0.00 55.73 53.17 1ree s ARG 122 Cb -0.13 -3.49 -0.05 0.00 -0.45 0.00 0.00 34.95 30.83 1ree s ARG 122 CO 0.03 -0.39 0.25 0.08 -0.68 0.00 0.00 175.30 174.58 1ree s VAL 123 N 1.59 5.31 -1.41 3.52 1.01 -1.26 -1.60 120.40 127.56 1ree s VAL 123 Ca 0.04 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 1ree s VAL 123 Cb -0.17 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1ree s VAL 123 CO 0.05 0.35 0.38 0.59 0.00 0.00 0.00 175.10 176.47 1ree n ASN 124 N 4.04 -0.27 -4.75 3.32 3.02 -1.06 -4.95 115.26 114.61 1ree n ASN 124 Ca -0.13 -1.04 -0.24 0.00 -0.03 0.00 0.00 54.58 53.15 1ree n ASN 124 Cb 0.52 -2.91 -0.06 0.00 -0.61 0.00 0.00 39.78 36.72 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 -6.63 2.69 0.50 3.52 -1.52 -0.08 -4.71 119.66 113.44 1ree s GLN 125 Ca 0.01 -1.11 -0.22 0.00 -1.95 0.00 0.00 55.36 52.09 1ree s GLN 125 Cb -0.00 -2.46 -0.06 0.00 -0.22 0.00 0.00 33.01 30.27 1ree s GLN 125 CO 0.90 0.42 1.21 -1.25 -0.25 0.00 0.00 175.29 176.32 1ree s PRO 126 N -3.51 3.48 0.26 2.91 0.04 -1.26 -0.89 135.00 136.02 1ree s PRO 126 Ca 0.31 1.87 -0.04 0.00 0.04 0.00 0.00 61.00 63.18 1ree s PRO 126 Cb -0.08 -2.28 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1ree s PRO 126 CO 0.22 -0.81 0.41 -1.13 0.04 0.00 0.00 177.00 175.74 1ree n SER 127 N -0.82 -1.17 0.04 6.66 3.41 -0.81 -4.86 113.62 116.07 1ree n SER 127 Ca 0.09 -2.29 0.06 0.00 -0.26 0.00 0.00 58.87 56.47 1ree n SER 127 Cb 0.48 2.08 0.27 0.00 -0.26 0.00 0.00 64.21 66.78 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 -0.40 1.29 -0.02 -1.33 -5.35 -1.26 -1.63 119.36 110.67 1ree n ILE 128 Ca -0.02 0.38 0.01 0.00 -0.27 0.00 0.00 62.75 62.85 1ree n ILE 128 Cb 0.42 -1.26 0.02 0.00 -1.74 0.00 0.00 39.64 37.08 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 -1.70 0.91 0.00 7.28 -5.35 -1.26 -5.12 119.36 114.13 1ree n ILE 129 Ca 0.02 -0.96 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 1ree n ILE 129 Cb 0.11 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 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 -0.31 -1.46 3.65 3.28 0.00 -0.64 -4.93 105.19 104.78 1ree n GLY 130 Ca 0.02 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1ree n GLY 130 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ree n THR 131 N 0.00 0.67 -3.96 2.61 -1.04 -1.26 -1.93 114.28 109.38 1ree n THR 131 Ca 0.00 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.05 61.71 1ree n THR 131 Cb 0.00 -2.37 -0.04 0.00 -1.82 0.00 0.00 70.33 66.11 1ree n THR 131 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ree s ALA 132 N 5.35 -0.42 -0.17 2.41 0.00 -0.07 -4.89 121.76 123.97 1ree s ALA 132 Ca 0.92 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 1ree s ALA 132 Cb -0.42 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 1ree s ALA 132 CO 0.41 -0.91 -0.10 0.99 0.00 0.00 0.00 175.76 176.16 1ree s THR 133 N -3.73 3.13 0.24 0.00 2.01 -1.26 -0.90 115.64 115.13 1ree s THR 133 Ca 0.20 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 1ree s THR 133 Cb -0.02 -2.36 -0.00 0.00 0.01 0.00 0.00 72.50 70.12 1ree s THR 133 CO 0.10 0.48 0.46 0.72 -0.69 0.00 0.00 174.62 175.69 1ree s PHE 134 N 0.90 0.38 0.30 4.92 -0.71 -0.63 -4.97 117.98 118.17 1ree s PHE 134 Ca -0.02 -0.73 -0.00 0.00 -1.04 0.00 0.00 56.93 55.13 1ree s PHE 134 Cb -0.15 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.78 1ree s PHE 134 CO 0.00 -0.96 0.51 0.71 -1.34 0.00 0.00 175.22 174.14 1ree s TYR 135 N -4.01 3.49 -0.15 3.49 2.02 -1.25 -0.32 117.35 120.62 1ree s TYR 135 Ca 0.22 0.38 0.00 0.00 -0.37 0.00 0.00 57.07 57.30 1ree s TYR 135 Cb -0.00 -1.91 0.03 0.00 -0.40 0.00 0.00 41.96 39.68 1ree s TYR 135 CO 0.08 0.19 -0.11 -1.14 -1.57 0.00 0.00 175.55 173.01 1ree s GLN 136 N -3.99 1.96 -0.09 -0.62 0.74 0.18 -2.42 119.66 115.42 1ree s GLN 136 Ca 0.40 -0.53 -0.05 0.00 0.05 0.00 0.00 55.36 55.23 1ree s GLN 136 Cb -0.10 -2.03 -0.04 0.00 1.10 0.00 0.00 33.01 31.94 1ree s GLN 136 CO 0.33 -0.30 0.12 0.71 -0.55 0.00 0.00 175.29 175.60 1ree s TYR 137 N 1.54 3.51 0.03 1.67 1.51 -0.47 -1.35 117.35 123.78 1ree s TYR 137 Ca 0.03 0.43 0.04 0.00 -1.01 0.00 0.00 57.07 56.57 1ree s TYR 137 Cb -0.14 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.81 1ree s TYR 137 CO -0.09 0.67 -0.12 -1.58 -1.11 0.00 0.00 175.55 173.32 1ree s TRP 138 N -1.06 1.06 -0.20 2.71 0.52 -0.43 -1.17 118.94 120.37 1ree s TRP 138 Ca 0.17 -0.32 -0.03 0.00 0.02 0.00 0.00 56.10 55.95 1ree s TRP 138 Cb -0.12 -0.64 0.06 0.00 -1.15 0.00 0.00 33.47 31.62 1ree s TRP 138 CO 0.07 0.01 0.05 -1.12 0.02 0.00 0.00 176.95 175.97 1ree s SER 139 N -0.93 2.90 -0.27 2.95 0.01 -0.31 -1.29 113.70 116.77 1ree s SER 139 Ca 0.01 -0.85 -0.07 0.00 1.31 0.00 0.00 55.95 56.36 1ree s SER 139 Cb -0.07 -0.55 -0.01 0.00 0.21 0.00 0.00 66.02 65.61 1ree s SER 139 CO 0.01 -0.32 0.06 -0.69 0.41 0.00 0.00 173.24 172.70 1ree s VAL 140 N 1.90 4.00 0.15 3.43 1.01 -0.20 0.06 120.40 130.74 1ree s VAL 140 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 1ree s VAL 140 Cb -0.17 -2.96 -0.08 0.00 0.00 0.00 0.00 36.38 33.17 1ree s VAL 140 CO -0.10 0.21 1.33 -0.60 0.00 0.00 0.00 175.10 175.94 1ree s ARG 141 N 1.54 4.37 0.07 2.72 3.52 -0.18 -1.43 118.95 129.55 1ree s ARG 141 Ca 0.04 2.02 -0.15 0.00 -0.13 0.00 0.00 55.73 57.51 1ree s ARG 141 Cb -0.16 -3.24 -0.17 0.00 -1.56 0.00 0.00 34.95 29.82 1ree s ARG 141 CO 0.02 -0.33 1.26 0.00 -0.81 0.00 0.00 175.30 175.44 1ree h ARG 142 N 6.14 0.67 -4.24 5.12 3.08 -1.74 -3.40 114.38 120.01 1ree h ARG 142 Ca -0.43 -0.56 -0.75 0.00 0.07 0.00 0.00 59.98 58.31 1ree h ARG 142 Cb 1.21 0.12 -0.23 0.00 0.08 0.00 0.00 29.97 31.15 1ree h ARG 142 CO 0.82 1.18 0.00 -0.80 -1.07 0.00 0.00 179.97 180.09 1ree s ASN 143 N -6.93 6.35 0.43 7.04 0.01 -1.26 -5.05 114.94 115.52 1ree s ASN 143 Ca -0.11 -1.92 -0.26 0.00 -0.71 0.00 0.00 52.86 49.86 1ree s ASN 143 Cb 0.07 -2.24 -0.09 0.00 0.41 0.00 0.00 41.25 39.40 1ree s ASN 143 CO 0.87 -0.87 1.42 -1.00 -1.51 0.00 0.00 177.10 176.01 1ree s HIS 144 N 1.62 2.54 0.07 2.20 3.76 -1.26 -4.99 115.29 119.23 1ree s HIS 144 Ca 0.10 1.26 -0.16 0.00 -0.15 0.00 0.00 55.06 56.12 1ree s HIS 144 Cb -0.22 -3.91 0.03 0.00 1.11 0.00 0.00 32.58 29.58 1ree s HIS 144 CO 0.00 -2.83 0.36 -0.98 -0.85 0.00 0.00 174.74 170.45 1ree s ARG 145 N -2.33 0.93 0.00 1.40 1.70 -0.96 -5.02 118.95 114.67 1ree s ARG 145 Ca 0.58 -0.55 0.04 0.00 -0.47 0.00 0.00 55.73 55.34 1ree s ARG 145 Cb -0.44 0.41 0.12 0.00 -0.57 0.00 0.00 34.95 34.47 1ree s ARG 145 CO 0.57 -0.33 1.06 0.43 -1.08 0.00 0.00 175.30 175.95 1ree n SER 146 N 0.27 2.28 -3.69 -2.89 7.64 -1.26 -4.20 113.62 111.78 1ree n SER 146 Ca -0.18 -1.92 -0.12 0.00 1.01 0.00 0.00 58.87 57.66 1ree n SER 146 Cb 0.61 -0.09 -0.09 0.00 -1.01 0.00 0.00 64.21 63.64 1ree n SER 146 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ree s SER 147 N -0.94 -0.60 0.00 6.43 0.15 -1.26 -3.75 113.70 113.73 1ree s SER 147 Ca 0.09 1.09 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1ree s SER 147 Cb 0.05 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 1ree s SER 147 CO 0.06 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1ree n GLY 148 N 3.30 -0.65 3.03 9.45 0.00 -0.22 -4.99 105.19 115.10 1ree n GLY 148 Ca -0.16 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.54 1ree n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ree s SER 149 N -4.00 1.51 -0.20 1.61 0.15 -1.26 -1.41 113.70 110.10 1ree s SER 149 Ca 0.00 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.40 1ree s SER 149 Cb 0.00 -0.48 0.01 0.00 -1.71 0.00 0.00 66.02 63.83 1ree s SER 149 CO 0.00 0.07 -0.13 -0.69 1.20 0.00 0.00 173.24 173.69 1ree s VAL 150 N 0.29 2.69 -0.79 4.45 1.01 0.12 -4.79 120.40 123.38 1ree s VAL 150 Ca -0.06 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 1ree s VAL 150 Cb -0.11 -2.18 0.16 0.00 0.00 0.00 0.00 36.38 34.25 1ree s VAL 150 CO 0.01 0.49 0.85 0.21 0.00 0.00 0.00 175.10 176.66 1ree s ASN 151 N 1.33 6.56 0.51 3.32 3.84 -1.26 -0.21 114.94 129.03 1ree s ASN 151 Ca 0.04 -2.14 0.25 0.00 0.21 0.00 0.00 52.86 51.22 1ree s ASN 151 Cb -0.14 -2.29 1.36 0.00 -0.55 0.00 0.00 41.25 39.63 1ree s ASN 151 CO -0.08 -0.87 1.96 0.71 -2.79 0.00 0.00 177.10 176.03 1ree h THR 152 N 5.43 0.70 -0.78 -5.21 1.35 -1.76 -1.91 112.91 110.74 1ree h THR 152 Ca 0.01 -0.02 0.04 0.00 -0.55 0.00 0.00 66.41 65.88 1ree h THR 152 Cb 1.05 0.63 -0.04 0.00 -1.73 0.00 0.00 68.15 68.06 1ree h THR 152 CO 0.96 0.01 0.51 0.00 -0.25 0.00 0.00 175.52 176.75 1ree h ALA 153 N 1.68 1.55 -0.58 6.62 0.00 -1.76 -0.70 119.26 126.07 1ree h ALA 153 Ca 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1ree h ALA 153 Cb 1.14 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1ree h ALA 153 CO -0.02 0.37 0.23 -0.91 0.00 0.00 0.00 179.25 178.91 1ree h ASN 154 N 0.94 0.76 0.04 0.00 2.35 -1.68 0.31 115.58 118.30 1ree h ASN 154 Ca 0.31 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.84 1ree h ASN 154 Cb 0.07 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.26 1ree h ASN 154 CO -0.09 0.69 -0.51 0.45 -1.65 0.00 0.00 177.43 176.31 1ree h HIS 155 N 0.83 0.44 -0.57 1.19 3.86 -1.49 -2.43 115.15 116.98 1ree h HIS 155 Ca 0.20 -0.27 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1ree h HIS 155 Cb 0.17 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1ree h HIS 155 CO 0.01 1.13 0.32 0.74 0.86 0.00 0.00 177.93 180.99 1ree h PHE 156 N -0.38 0.75 -0.27 2.45 0.04 -1.00 0.98 116.94 119.52 1ree h PHE 156 Ca -0.08 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.61 1ree h PHE 156 Cb 1.30 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 1ree h PHE 156 CO 0.18 0.52 -0.15 -0.91 -0.60 0.00 0.00 178.31 177.35 1ree h ASN 157 N 0.79 0.60 -0.48 2.17 2.35 -1.00 -0.91 115.58 119.09 1ree h ASN 157 Ca 0.20 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1ree h ASN 157 Cb 0.00 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1ree h ASN 157 CO -0.04 0.89 0.27 0.00 -1.65 0.00 0.00 177.43 176.90 1ree h ALA 158 N 0.73 0.61 -0.54 -0.83 0.00 -0.83 -1.60 119.26 116.81 1ree h ALA 158 Ca 0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1ree h ALA 158 Cb 0.68 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1ree h ALA 158 CO 0.04 0.13 0.07 -1.49 0.00 0.00 0.00 179.25 178.00 1ree h TRP 159 N 0.63 0.90 -0.11 0.00 6.55 -0.78 -2.29 115.95 120.86 1ree h TRP 159 Ca 0.17 -0.11 -0.05 0.00 0.95 0.00 0.00 58.89 59.85 1ree h TRP 159 Cb 0.04 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.07 1ree h TRP 159 CO -0.02 0.79 -0.16 0.00 -1.05 0.00 0.00 178.44 178.00 1ree h ALA 160 N 1.26 1.54 0.00 1.49 0.00 -0.62 0.45 119.26 123.38 1ree h ALA 160 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ree h ALA 160 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ree h ALA 160 CO 0.01 0.33 0.00 1.96 0.00 0.00 0.00 179.25 181.55 1ree h GLN 161 N 0.16 0.00 -0.54 0.00 7.50 -0.73 -3.01 115.11 118.50 1ree h GLN 161 Ca 0.03 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1ree h GLN 161 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.91 1ree h GLN 161 CO 0.02 0.00 0.00 1.04 -1.50 0.00 0.00 178.83 178.39 1ree n GLN 162 N -2.73 2.61 0.00 1.46 1.13 -0.46 -4.94 117.38 114.44 1ree n GLN 162 Ca 0.03 -2.40 0.00 0.00 -1.94 0.00 0.00 57.00 52.69 1ree n GLN 162 Cb 0.35 -1.49 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 1.37 0.71 3.83 1.08 0.00 -1.03 -5.07 105.19 106.08 1ree n GLY 163 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 4.24 -0.42 0.99 2.96 0.02 -4.97 118.68 121.50 1ree s LEU 164 Ca 0.00 1.30 0.05 0.00 -0.22 0.00 0.00 54.13 55.27 1ree s LEU 164 Cb 0.00 -3.72 0.19 0.00 0.50 0.00 0.00 46.19 43.16 1ree s LEU 164 CO 0.00 -0.04 0.44 0.35 -1.32 0.00 0.00 176.35 175.78 1ree n THR 165 N 0.32 -0.94 -1.66 3.68 -2.24 -1.26 -3.81 114.28 108.38 1ree n THR 165 Ca -0.01 -3.23 -0.45 0.00 -2.27 0.00 0.00 64.05 58.10 1ree n THR 165 Cb 0.52 -1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 67.40 1ree n THR 165 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ree n LEU 166 N 2.49 2.86 0.00 3.22 4.77 -1.26 -4.29 117.00 124.79 1ree n LEU 166 Ca 0.26 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.39 1ree n LEU 166 Cb 0.50 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1ree n LEU 166 CO 0.09 -0.66 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 1ree n GLY 167 N 1.91 0.14 3.60 -0.72 0.00 -1.25 -4.87 105.19 103.99 1ree n GLY 167 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 1.83 4.93 0.01 2.61 2.01 0.60 -4.86 115.64 122.77 1ree s THR 168 Ca 0.00 0.88 -0.30 0.00 0.31 0.00 0.00 61.69 62.57 1ree s THR 168 Cb 0.00 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1ree s THR 168 CO 0.00 -0.14 1.30 -0.04 -0.69 0.00 0.00 174.62 175.05 1ree s MET 169 N 2.62 4.34 0.00 4.92 1.00 -1.26 -0.21 119.30 130.72 1ree s MET 169 Ca 0.26 1.86 0.00 0.00 0.00 0.00 0.00 55.69 57.80 1ree s MET 169 Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 34.83 31.20 1ree s MET 169 CO 0.12 -0.45 0.00 -3.47 0.00 0.00 0.00 175.02 171.22 1ree n ASP 170 N 4.82 0.00 -4.78 3.03 2.03 -0.31 -4.36 116.55 116.98 1ree n ASP 170 Ca 0.11 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.11 1ree n ASP 170 Cb 0.45 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.93 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 4.05 2.69 -0.22 -0.67 -0.85 -1.26 -1.12 117.35 119.96 1ree s TYR 171 Ca 0.00 1.53 -0.03 0.00 -0.52 0.00 0.00 57.07 58.05 1ree s TYR 171 Cb 0.00 -3.03 0.11 0.00 0.38 0.00 0.00 41.96 39.43 1ree s TYR 171 CO 0.00 -1.67 0.31 -1.14 -1.52 0.00 0.00 175.55 171.53 1ree s GLN 172 N -4.83 0.28 0.28 -3.49 0.74 -0.46 -2.59 119.66 109.58 1ree s GLN 172 Ca 0.61 0.42 0.02 0.00 0.05 0.00 0.00 55.36 56.46 1ree s GLN 172 Cb -0.17 -0.74 -0.05 0.00 1.10 0.00 0.00 33.01 33.15 1ree s GLN 172 CO 0.54 -0.63 0.10 0.96 -0.55 0.00 0.00 175.29 175.71 1ree s ILE 173 N 2.46 0.68 -0.32 -2.34 -4.36 -0.22 -0.69 121.20 116.39 1ree s ILE 173 Ca 0.10 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.39 1ree s ILE 173 Cb -0.15 -2.65 -0.00 0.00 1.25 0.00 0.00 42.46 40.90 1ree s ILE 173 CO -0.14 0.00 0.17 -0.69 0.24 0.00 0.00 174.94 174.52 1ree s VAL 174 N -3.62 4.65 0.16 8.37 1.01 -0.33 -0.49 120.40 130.16 1ree s VAL 174 Ca 0.37 -0.48 0.11 0.00 0.00 0.00 0.00 61.98 61.98 1ree s VAL 174 Cb 0.08 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1ree s VAL 174 CO 0.14 0.01 -0.25 0.00 0.00 0.00 0.00 175.10 175.01 1ree s ALA 175 N 1.61 2.42 -0.20 5.51 0.00 0.85 -2.76 121.76 129.19 1ree s ALA 175 Ca 0.04 -1.55 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 1ree s ALA 175 Cb -0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1ree s ALA 175 CO 0.07 0.46 -0.05 0.08 0.00 0.00 0.00 175.76 176.32 1ree s VAL 176 N -1.43 3.47 -0.05 0.00 1.01 -0.20 -1.44 120.40 121.76 1ree s VAL 176 Ca 0.17 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1ree s VAL 176 Cb -0.09 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1ree s VAL 176 CO 0.08 0.44 -0.18 -0.70 0.00 0.00 0.00 175.10 174.74 1ree s GLU 177 N 1.19 2.46 0.11 2.72 2.12 -0.29 -2.03 118.70 124.98 1ree s GLU 177 Ca 0.02 -0.78 0.08 0.00 0.36 0.00 0.00 54.97 54.66 1ree s GLU 177 Cb -0.14 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.93 1ree s GLU 177 CO -0.01 0.56 -0.20 0.20 -0.54 0.00 0.00 175.26 175.28 1ree s GLY 178 N -0.58 1.24 -0.31 -1.50 0.00 -0.77 -0.89 107.32 104.51 1ree s GLY 178 Ca 0.08 -1.28 -0.03 0.00 0.00 0.00 0.00 44.72 43.49 1ree s GLY 178 CO 0.01 -1.30 0.15 -0.47 0.00 0.00 0.00 173.10 171.49 1ree s TYR 179 N -1.39 0.45 -1.33 1.90 5.04 -0.58 -1.94 117.35 119.50 1ree s TYR 179 Ca 0.08 -1.08 -0.07 0.00 -2.44 0.00 0.00 57.07 53.55 1ree s TYR 179 Cb -0.09 -0.92 0.00 0.00 0.35 0.00 0.00 41.96 41.30 1ree s TYR 179 CO 0.05 -0.83 0.52 1.19 -1.34 0.00 0.00 175.55 175.13 1ree n PHE 180 N 4.94 -1.69 -2.77 4.97 3.01 -0.27 -4.45 117.46 121.20 1ree n PHE 180 Ca -0.01 0.64 0.00 0.00 1.01 0.00 0.00 57.45 59.08 1ree n PHE 180 Cb 0.41 -3.61 0.00 0.00 -0.01 0.00 0.00 39.48 36.26 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 -2.87 0.00 -4.17 4.37 3.41 -1.26 -4.78 113.62 108.33 1ree n SER 181 Ca -0.25 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.25 1ree n SER 181 Cb 0.66 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.51 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 1.06 0.18 0.00 4.04 0.01 -1.04 -1.29 113.70 116.66 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 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1ree s SER 182 CO 0.00 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.43 1ree n GLY 183 N -0.23 -1.16 3.26 3.44 0.00 -0.16 -0.51 105.19 109.84 1ree n GLY 183 Ca -0.00 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.50 -0.21 -0.12 1.61 1.04 -0.87 -1.18 113.70 112.47 1ree s SER 184 Ca 0.00 0.06 -0.23 0.00 0.48 0.00 0.00 55.95 56.26 1ree s SER 184 Cb 0.00 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.51 1ree s SER 184 CO 0.00 -0.50 0.56 0.00 0.98 0.00 0.00 173.24 174.28 1ree s ALA 185 N -1.62 -1.43 -0.26 5.32 0.00 -0.20 -0.67 121.76 122.91 1ree s ALA 185 Ca -0.11 1.27 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 1ree s ALA 185 Cb -0.04 -0.42 0.10 0.00 0.00 0.00 0.00 23.12 22.77 1ree s ALA 185 CO 0.03 -0.31 0.18 0.45 0.00 0.00 0.00 175.76 176.11 1ree s SER 186 N -0.54 2.61 -0.01 0.00 0.15 0.45 -1.19 113.70 115.16 1ree s SER 186 Ca -0.07 -0.91 0.08 0.00 0.70 0.00 0.00 55.95 55.75 1ree s SER 186 Cb -0.03 -0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.23 1ree s SER 186 CO 0.05 -0.40 -0.24 -0.63 1.20 0.00 0.00 173.24 173.22 1ree s ILE 187 N 2.20 2.22 -0.14 6.45 -1.09 -0.68 -0.56 121.20 129.60 1ree s ILE 187 Ca 0.08 -1.12 0.02 0.00 -2.23 0.00 0.00 60.65 57.40 1ree s ILE 187 Cb -0.15 -1.81 0.01 0.00 -1.58 0.00 0.00 42.46 38.93 1ree s ILE 187 CO -0.28 0.53 -0.21 -0.89 -1.23 0.00 0.00 174.94 172.86 1ree s THR 188 N -0.67 2.12 0.05 2.92 2.01 0.55 -1.44 115.64 121.18 1ree s THR 188 Ca 0.11 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1ree s THR 188 Cb -0.10 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1ree s THR 188 CO 0.00 0.55 0.11 -0.69 -0.69 0.00 0.00 174.62 173.90 1ree s VAL 189 N 0.82 4.80 0.00 3.82 1.01 0.34 -2.04 120.40 129.14 1ree s VAL 189 Ca -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1ree s VAL 189 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1ree s VAL 189 CO -0.02 0.21 0.00 -1.54 0.00 0.00 0.00 175.10 173.75