#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnd n THR 2 N 0.00 -1.77 -4.35 5.09 -1.04 -0.53 -4.80 114.28 106.88 1xnd n THR 2 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1xnd n THR 2 Cb 0.00 -3.54 -0.12 0.00 -1.82 0.00 0.00 70.33 64.85 1xnd n THR 2 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1xnd s ILE 3 N -0.45 2.01 0.53 12.58 1.10 -0.44 -4.98 121.20 131.56 1xnd s ILE 3 Ca 0.00 -1.78 0.04 0.00 -0.51 0.00 0.00 60.65 58.40 1xnd s ILE 3 Cb 0.00 -1.85 0.10 0.00 0.15 0.00 0.00 42.46 40.86 1xnd s ILE 3 CO 0.00 -0.09 0.74 0.61 -2.11 0.00 0.00 174.94 174.09 1xnd n GLY 4 N 0.70 1.37 3.77 1.50 0.00 -1.26 -4.43 105.19 106.84 1xnd n GLY 4 Ca -0.16 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 1xnd n GLY 4 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xnd s PRO 5 N -4.38 4.17 0.00 1.61 0.02 -1.26 -4.92 135.00 130.24 1xnd s PRO 5 Ca 0.52 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.91 1xnd s PRO 5 Cb -0.04 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.52 1xnd s PRO 5 CO 0.34 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 177.01 1xnd n GLY 6 N 0.63 -1.47 3.07 0.52 0.00 -0.12 -4.98 105.19 102.83 1xnd n GLY 6 Ca 0.01 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 1xnd n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xnd s THR 7 N -2.20 0.72 -2.82 2.61 2.01 -1.26 -0.55 115.64 114.15 1xnd s THR 7 Ca 0.00 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1xnd s THR 7 Cb 0.00 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.81 1xnd s THR 7 CO 0.00 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 1xnd n GLY 8 N 1.93 -0.80 3.28 4.40 0.00 -0.58 -4.99 105.19 108.43 1xnd n GLY 8 Ca -0.19 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 1xnd n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xnd s TYR 9 N -3.00 1.97 -0.30 1.61 1.51 -1.26 0.13 117.35 118.00 1xnd s TYR 9 Ca 0.00 -0.39 0.18 0.00 -1.01 0.00 0.00 57.07 55.85 1xnd s TYR 9 Cb 0.00 -1.17 0.46 0.00 -0.11 0.00 0.00 41.96 41.14 1xnd s TYR 9 CO 0.00 0.11 1.34 0.43 -1.11 0.00 0.00 175.55 176.32 1xnd n SER 10 N 1.77 -0.06 0.00 2.29 7.64 0.77 -4.94 113.62 121.09 1xnd n SER 10 Ca -0.17 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.57 1xnd n SER 10 Cb 0.53 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1xnd n SER 10 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1xnd n ASN 11 N -1.08 0.00 0.00 6.43 2.85 -1.26 -3.72 115.26 118.48 1xnd n ASN 11 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1xnd n ASN 11 Cb 0.84 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.86 1xnd n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xnd n GLY 12 N 0.00 1.33 3.52 8.20 0.00 -1.26 -4.69 105.19 112.28 1xnd n GLY 12 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xnd n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xnd s TYR 13 N -2.77 2.79 0.37 1.61 1.51 -1.26 -4.95 117.35 114.65 1xnd s TYR 13 Ca 0.00 -0.10 -0.24 0.00 -1.01 0.00 0.00 57.07 55.72 1xnd s TYR 13 Cb 0.00 -1.67 -0.10 0.00 -0.11 0.00 0.00 41.96 40.08 1xnd s TYR 13 CO 0.00 0.24 0.97 -0.47 -1.11 0.00 0.00 175.55 175.17 1xnd s TYR 14 N -0.74 3.50 0.06 2.71 5.04 -0.51 -0.16 117.35 127.25 1xnd s TYR 14 Ca 0.11 1.71 0.03 0.00 -2.44 0.00 0.00 57.07 56.48 1xnd s TYR 14 Cb -0.11 -2.94 -0.03 0.00 0.35 0.00 0.00 41.96 39.24 1xnd s TYR 14 CO 0.01 -0.04 -0.09 1.52 -1.34 0.00 0.00 175.55 175.61 1xnd s TYR 15 N -1.79 0.83 -0.06 4.97 -0.85 0.12 -0.03 117.35 120.54 1xnd s TYR 15 Ca 0.55 -0.52 -0.03 0.00 -0.52 0.00 0.00 57.07 56.55 1xnd s TYR 15 Cb -0.16 -0.48 0.04 0.00 0.38 0.00 0.00 41.96 41.73 1xnd s TYR 15 CO 0.21 -0.05 0.14 0.45 -1.52 0.00 0.00 175.55 174.78 1xnd s SER 16 N -1.75 -0.01 -0.08 -0.18 0.15 -0.89 -1.52 113.70 109.42 1xnd s SER 16 Ca -0.06 0.28 -0.00 0.00 0.70 0.00 0.00 55.95 56.87 1xnd s SER 16 Cb -0.09 0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.42 1xnd s SER 16 CO 0.01 -0.16 -0.05 -0.47 1.20 0.00 0.00 173.24 173.77 1xnd s TYR 17 N 1.28 1.09 -0.02 3.44 5.04 0.29 -1.50 117.35 126.98 1xnd s TYR 17 Ca -0.08 -0.45 0.06 0.00 -2.44 0.00 0.00 57.07 54.16 1xnd s TYR 17 Cb -0.12 -0.99 -0.01 0.00 0.35 0.00 0.00 41.96 41.19 1xnd s TYR 17 CO -0.06 -0.38 -0.19 -0.46 -1.34 0.00 0.00 175.55 173.12 1xnd s TRP 18 N 1.60 1.71 0.17 4.97 -0.00 0.30 -0.94 118.94 126.75 1xnd s TRP 18 Ca 0.01 -0.34 -0.09 0.00 -0.00 0.00 0.00 56.10 55.67 1xnd s TRP 18 Cb -0.13 -1.10 -0.01 0.00 -0.00 0.00 0.00 33.47 32.23 1xnd s TRP 18 CO -0.05 -0.05 0.31 0.54 -0.00 0.00 0.00 176.95 177.70 1xnd s ASN 19 N -0.39 0.02 0.00 5.86 2.20 -1.26 -0.76 114.94 120.60 1xnd s ASN 19 Ca 0.06 -0.87 0.31 0.00 -0.94 0.00 0.00 52.86 51.42 1xnd s ASN 19 Cb -0.08 0.45 1.87 0.00 -2.00 0.00 0.00 41.25 41.49 1xnd s ASN 19 CO -0.00 -0.92 2.20 -0.90 -2.94 0.00 0.00 177.10 174.54 1xnd n ASP 20 N -0.23 0.03 0.00 3.54 5.75 -0.37 -4.88 116.55 120.38 1xnd n ASP 20 Ca -0.07 -1.02 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 1xnd n ASP 20 Cb 0.63 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1xnd n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xnd n GLY 21 N 1.00 2.88 3.72 6.12 0.00 -1.26 -5.04 105.19 112.60 1xnd n GLY 21 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 1xnd n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xnd n HIS 22 N -2.00 1.94 -1.70 1.61 -0.00 -1.26 -5.00 115.22 108.81 1xnd n HIS 22 Ca 0.00 0.43 -0.29 0.00 -0.00 0.00 0.00 57.72 57.86 1xnd n HIS 22 Cb 0.00 -2.29 0.10 0.00 -0.00 0.00 0.00 29.99 27.80 1xnd n HIS 22 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xnd s ALA 23 N -1.35 2.26 0.00 1.57 0.00 -1.26 -4.59 121.76 118.39 1xnd s ALA 23 Ca 0.76 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1xnd s ALA 23 Cb -0.41 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1xnd s ALA 23 CO 0.46 -1.87 0.00 0.41 0.00 0.00 0.00 175.76 174.75 1xnd n GLY 24 N -2.67 2.02 3.76 0.00 0.00 -1.26 -3.97 105.19 103.07 1xnd n GLY 24 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1xnd n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnd s VAL 25 N -1.92 4.72 -0.08 1.61 1.01 -1.26 -1.10 120.40 123.37 1xnd s VAL 25 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1xnd s VAL 25 Cb 0.00 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.34 1xnd s VAL 25 CO 0.00 0.52 -0.04 0.28 0.00 0.00 0.00 175.10 175.86 1xnd s THR 26 N -1.03 0.68 -0.24 3.92 -1.32 -0.06 -5.00 115.64 112.59 1xnd s THR 26 Ca 0.17 -0.09 -0.07 0.00 -1.21 0.00 0.00 61.69 60.49 1xnd s THR 26 Cb -0.12 -0.76 -0.03 0.00 -1.51 0.00 0.00 72.50 70.09 1xnd s THR 26 CO 0.07 0.30 0.07 -0.47 -2.21 0.00 0.00 174.62 172.38 1xnd s TYR 27 N 1.69 3.09 -0.14 9.09 6.14 -1.26 -1.35 117.35 134.62 1xnd s TYR 27 Ca 0.02 -0.39 0.02 0.00 0.64 0.00 0.00 57.07 57.36 1xnd s TYR 27 Cb -0.13 -2.23 0.00 0.00 0.42 0.00 0.00 41.96 40.03 1xnd s TYR 27 CO -0.05 -0.33 -0.20 0.99 0.64 0.00 0.00 175.55 176.60 1xnd s THR 28 N 1.53 2.31 -0.02 4.34 2.01 -0.21 -1.33 115.64 124.27 1xnd s THR 28 Ca 0.06 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 1xnd s THR 28 Cb -0.15 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 1xnd s THR 28 CO 0.04 0.54 0.96 0.21 -0.69 0.00 0.00 174.62 175.68 1xnd s ASN 29 N 0.71 7.32 0.39 3.53 2.47 -1.26 -1.33 114.94 126.77 1xnd s ASN 29 Ca -0.09 1.60 0.05 0.00 0.42 0.00 0.00 52.86 54.85 1xnd s ASN 29 Cb -0.16 -2.56 0.05 0.00 -1.45 0.00 0.00 41.25 37.14 1xnd s ASN 29 CO 0.01 -0.27 0.45 0.61 -3.72 0.00 0.00 177.10 174.17 1xnd n GLY 30 N 2.95 2.29 3.75 1.21 0.00 0.78 -4.12 105.19 112.05 1xnd n GLY 30 Ca 0.06 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.51 1xnd n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xnd s GLY 31 N -3.64 2.61 0.00 -0.02 0.00 -1.26 -4.41 107.32 100.61 1xnd s GLY 31 Ca 0.34 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.98 1xnd s GLY 31 CO 0.22 1.30 0.00 0.61 0.00 0.00 0.00 173.10 175.23 1xnd n GLY 32 N 0.34 3.17 0.42 0.20 0.00 -1.24 -1.73 105.19 106.34 1xnd n GLY 32 Ca 0.13 0.27 0.07 0.00 0.00 0.00 0.00 46.02 46.49 1xnd n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnd n GLY 33 N 0.00 0.03 3.88 -0.02 0.00 -1.26 -4.62 105.19 103.20 1xnd n GLY 33 Ca 0.00 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1xnd n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnd s SER 34 N -1.29 6.47 0.05 1.61 0.01 -0.71 -1.31 113.70 118.54 1xnd s SER 34 Ca 0.24 0.54 -0.14 0.00 1.31 0.00 0.00 55.95 57.90 1xnd s SER 34 Cb 0.12 -2.09 0.02 0.00 0.21 0.00 0.00 66.02 64.29 1xnd s SER 34 CO 0.18 0.33 0.32 0.72 0.41 0.00 0.00 173.24 175.20 1xnd s PHE 35 N -1.17 -0.12 0.09 2.43 -0.71 -0.57 -0.16 117.98 117.77 1xnd s PHE 35 Ca 0.22 -0.02 0.10 0.00 -1.04 0.00 0.00 56.93 56.19 1xnd s PHE 35 Cb -0.13 0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 1xnd s PHE 35 CO 0.11 -0.52 -0.26 0.99 -1.34 0.00 0.00 175.22 174.20 1xnd s THR 36 N -2.65 2.13 -0.05 -4.49 2.01 -0.44 -1.24 115.64 110.90 1xnd s THR 36 Ca -0.04 -1.57 -0.03 0.00 0.31 0.00 0.00 61.69 60.36 1xnd s THR 36 Cb -0.01 -1.86 0.03 0.00 0.01 0.00 0.00 72.50 70.67 1xnd s THR 36 CO -0.04 0.18 0.12 -0.69 -0.69 0.00 0.00 174.62 173.51 1xnd s VAL 37 N -0.96 -0.03 -0.03 3.82 1.01 -0.68 -1.05 120.40 122.48 1xnd s VAL 37 Ca 0.12 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1xnd s VAL 37 Cb -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1xnd s VAL 37 CO 0.04 0.05 -0.10 0.20 0.00 0.00 0.00 175.10 175.30 1xnd s ASN 38 N 0.79 1.27 -0.11 3.32 -0.87 -0.45 -1.58 114.94 117.32 1xnd s ASN 38 Ca -0.06 -0.20 -0.09 0.00 -1.57 0.00 0.00 52.86 50.94 1xnd s ASN 38 Cb -0.08 -0.35 0.03 0.00 -0.02 0.00 0.00 41.25 40.83 1xnd s ASN 38 CO -0.04 0.07 0.27 -1.66 -2.57 0.00 0.00 177.10 173.18 1xnd s TRP 39 N 0.19 -0.32 -0.08 2.20 -2.14 -0.87 -0.88 118.94 117.05 1xnd s TRP 39 Ca -0.03 0.76 -0.01 0.00 2.66 0.00 0.00 56.10 59.48 1xnd s TRP 39 Cb -0.09 0.10 0.03 0.00 -3.10 0.00 0.00 33.47 30.41 1xnd s TRP 39 CO 0.01 -0.16 -0.03 -1.12 -2.66 0.00 0.00 176.95 172.98 1xnd s SER 40 N 0.35 1.67 -1.08 -2.66 0.01 -0.26 -0.63 113.70 111.11 1xnd s SER 40 Ca -0.02 -0.16 -0.17 0.00 1.31 0.00 0.00 55.95 56.91 1xnd s SER 40 Cb -0.03 -0.57 -0.01 0.00 0.21 0.00 0.00 66.02 65.61 1xnd s SER 40 CO -0.01 -0.14 0.78 0.59 0.41 0.00 0.00 173.24 174.87 1xnd n ASN 41 N 4.88 -5.59 -2.83 2.44 5.03 -0.16 -4.36 115.26 114.66 1xnd n ASN 41 Ca -0.12 -0.92 -0.12 0.00 0.87 0.00 0.00 54.58 54.29 1xnd n ASN 41 Cb 0.50 -3.52 0.08 0.00 -1.02 0.00 0.00 39.78 35.83 1xnd n ASN 41 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1xnd n SER 42 N -2.63 0.10 0.00 6.41 3.41 -0.24 -4.48 113.62 116.19 1xnd n SER 42 Ca -0.10 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 1xnd n SER 42 Cb 0.59 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1xnd n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xnd n GLY 43 N 1.38 2.70 3.67 5.00 0.00 -1.25 -4.07 105.19 112.61 1xnd n GLY 43 Ca 0.07 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 1xnd n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xnd s ASN 44 N -0.09 6.01 0.06 1.61 3.04 -1.26 -0.59 114.94 123.73 1xnd s ASN 44 Ca 0.00 0.13 -0.04 0.00 0.04 0.00 0.00 52.86 52.99 1xnd s ASN 44 Cb 0.00 -2.07 -0.02 0.00 -1.54 0.00 0.00 41.25 37.62 1xnd s ASN 44 CO 0.00 0.12 0.05 0.72 -3.04 0.00 0.00 177.10 174.94 1xnd s PHE 45 N 0.75 0.36 -0.08 0.43 -0.71 -0.88 -1.24 117.98 116.61 1xnd s PHE 45 Ca 0.07 -0.83 -0.03 0.00 -1.04 0.00 0.00 56.93 55.10 1xnd s PHE 45 Cb -0.13 -0.25 0.04 0.00 -1.21 0.00 0.00 43.02 41.47 1xnd s PHE 45 CO 0.02 -0.41 0.15 0.08 -1.34 0.00 0.00 175.22 173.71 1xnd s VAL 46 N -3.59 -0.20 -0.01 -2.49 1.01 0.06 -1.64 120.40 113.53 1xnd s VAL 46 Ca 0.04 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.34 1xnd s VAL 46 Cb 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1xnd s VAL 46 CO -0.09 0.13 -0.03 0.00 0.00 0.00 0.00 175.10 175.11 1xnd s ALA 47 N 2.01 0.36 0.00 5.51 0.00 -0.22 -0.54 121.76 128.88 1xnd s ALA 47 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1xnd s ALA 47 Cb -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1xnd s ALA 47 CO -0.06 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1xnd n GLY 48 N 3.28 -0.26 3.29 0.00 0.00 -0.56 -1.30 105.19 109.64 1xnd n GLY 48 Ca -0.16 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.75 1xnd n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xnd s LYS 49 N -2.00 1.17 0.00 1.61 1.02 -1.11 -2.10 119.74 118.34 1xnd s LYS 49 Ca 0.00 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.57 1xnd s LYS 49 Cb 0.00 -0.99 0.00 0.00 -0.52 0.00 0.00 37.83 36.32 1xnd s LYS 49 CO 0.00 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 1xnd n GLY 50 N 0.05 -0.49 3.09 -3.33 0.00 0.95 -1.19 105.19 104.28 1xnd n GLY 50 Ca -0.12 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1xnd n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xnd s TRP 51 N 0.00 1.02 -0.22 1.61 0.51 0.54 -1.42 118.94 120.97 1xnd s TRP 51 Ca 0.00 -0.30 -0.02 0.00 -2.12 0.00 0.00 56.10 53.66 1xnd s TRP 51 Cb 0.00 -0.62 0.07 0.00 -0.81 0.00 0.00 33.47 32.11 1xnd s TRP 51 CO 0.00 0.00 0.04 -1.14 -0.51 0.00 0.00 176.95 175.34 1xnd s GLN 52 N -0.85 0.78 0.84 4.98 2.00 -1.26 -1.05 119.66 125.10 1xnd s GLN 52 Ca 0.01 -0.60 -0.12 0.00 -2.00 0.00 0.00 55.36 52.65 1xnd s GLN 52 Cb -0.07 -2.14 0.10 0.00 0.80 0.00 0.00 33.01 31.70 1xnd s GLN 52 CO 0.01 -0.70 1.15 -1.25 -0.50 0.00 0.00 175.29 174.00 1xnd s PRO 53 N 1.77 1.74 0.45 1.67 0.04 -1.26 -5.03 135.00 134.36 1xnd s PRO 53 Ca 0.00 0.26 -0.05 0.00 0.04 0.00 0.00 61.00 61.25 1xnd s PRO 53 Cb -0.17 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.55 1xnd s PRO 53 CO -0.11 -1.78 0.61 0.41 0.04 0.00 0.00 177.00 176.17 1xnd n GLY 54 N -2.75 -0.49 3.22 0.56 0.00 -0.19 -4.87 105.19 100.68 1xnd n GLY 54 Ca 0.07 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 1xnd n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xnd s THR 55 N -2.06 0.60 -1.62 2.61 -4.23 -1.26 -4.81 115.64 104.86 1xnd s THR 55 Ca 0.37 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 58.96 1xnd s THR 55 Cb -0.01 -2.04 0.18 0.00 1.34 0.00 0.00 72.50 71.97 1xnd s THR 55 CO 0.25 -0.54 1.03 0.29 -0.54 0.00 0.00 174.62 175.11 1xnd n LYS 56 N -0.19 1.60 -1.03 3.99 5.02 -1.26 -3.77 118.16 122.51 1xnd n LYS 56 Ca -0.07 -0.70 0.01 0.00 -2.02 0.00 0.00 58.31 55.52 1xnd n LYS 56 Cb 0.63 -1.32 -0.00 0.00 -0.02 0.00 0.00 35.03 34.32 1xnd n LYS 56 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xnd n ASN 57 N 0.08 0.29 -4.76 4.39 6.94 -1.26 -3.58 115.26 117.36 1xnd n ASN 57 Ca 0.06 -1.90 -0.40 0.00 -0.02 0.00 0.00 54.58 52.33 1xnd n ASN 57 Cb 0.26 -0.14 -0.06 0.00 -2.36 0.00 0.00 39.78 37.48 1xnd n ASN 57 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1xnd s LYS 58 N 0.00 4.64 -0.25 -3.83 2.20 -1.25 -4.82 119.74 116.43 1xnd s LYS 58 Ca 0.15 1.25 -0.04 0.00 -0.36 0.00 0.00 55.97 56.98 1xnd s LYS 58 Cb 0.18 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 33.22 1xnd s LYS 58 CO -0.08 0.50 -0.02 0.54 -0.36 0.00 0.00 175.35 175.94 1xnd s VAL 59 N -0.97 3.37 -0.19 4.02 0.11 -1.26 -2.01 120.40 123.48 1xnd s VAL 59 Ca 0.38 -0.72 -0.08 0.00 -2.93 0.00 0.00 61.98 58.63 1xnd s VAL 59 Cb -0.24 -2.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.92 1xnd s VAL 59 CO 0.28 0.26 0.08 -0.63 -3.33 0.00 0.00 175.10 171.75 1xnd s ILE 60 N 1.43 4.91 -0.03 7.04 1.01 0.02 -4.91 121.20 130.68 1xnd s ILE 60 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1xnd s ILE 60 Cb -0.16 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1xnd s ILE 60 CO -0.02 0.44 0.07 0.20 0.00 0.00 0.00 174.94 175.63 1xnd s ASN 61 N 0.48 5.61 -0.12 3.58 0.01 -1.26 -0.06 114.94 123.18 1xnd s ASN 61 Ca 0.04 0.16 -0.12 0.00 -0.71 0.00 0.00 52.86 52.23 1xnd s ASN 61 Cb -0.12 -1.61 0.03 0.00 0.41 0.00 0.00 41.25 39.96 1xnd s ASN 61 CO 0.00 0.30 0.34 0.72 -1.51 0.00 0.00 177.10 176.96 1xnd s PHE 62 N -1.12 -0.37 0.24 2.20 -0.71 -0.70 -2.22 117.98 115.31 1xnd s PHE 62 Ca 0.20 0.89 0.01 0.00 -1.04 0.00 0.00 56.93 57.00 1xnd s PHE 62 Cb -0.12 0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.78 1xnd s PHE 62 CO 0.11 -0.19 0.16 -1.54 -1.34 0.00 0.00 175.22 172.42 1xnd s SER 63 N 0.12 0.70 0.00 1.98 1.04 -0.48 -1.49 113.70 115.56 1xnd s SER 63 Ca -0.01 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 54.94 1xnd s SER 63 Cb -0.03 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1xnd s SER 63 CO 0.01 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1xnd n GLY 64 N -0.39 0.70 3.26 7.32 0.00 -1.26 -0.41 105.19 114.41 1xnd n GLY 64 Ca 0.03 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.76 1xnd n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xnd s SER 65 N -4.00 2.60 -0.07 1.61 1.04 -0.17 -4.68 113.70 110.03 1xnd s SER 65 Ca 0.00 -0.50 -0.01 0.00 0.48 0.00 0.00 55.95 55.92 1xnd s SER 65 Cb 0.00 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 65.91 1xnd s SER 65 CO 0.00 0.20 -0.00 -0.47 0.98 0.00 0.00 173.24 173.95 1xnd s TYR 66 N -0.73 0.72 -0.47 5.02 5.04 -1.26 -0.84 117.35 124.83 1xnd s TYR 66 Ca 0.08 -0.20 0.05 0.00 -2.44 0.00 0.00 57.07 54.57 1xnd s TYR 66 Cb -0.09 -0.82 0.20 0.00 0.35 0.00 0.00 41.96 41.60 1xnd s TYR 66 CO 0.01 -0.33 0.45 0.09 -1.34 0.00 0.00 175.55 174.43 1xnd n ASN 67 N 5.08 0.57 -4.77 4.32 3.02 0.10 -5.00 115.26 118.58 1xnd n ASN 67 Ca -0.08 -2.68 -0.38 0.00 -0.03 0.00 0.00 54.58 51.41 1xnd n ASN 67 Cb 0.50 -0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 39.00 1xnd n ASN 67 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1xnd s PRO 68 N -0.74 4.54 -0.59 3.52 0.04 -1.26 -1.78 135.00 138.73 1xnd s PRO 68 Ca 0.33 1.50 0.06 0.00 0.04 0.00 0.00 61.00 62.93 1xnd s PRO 68 Cb 0.07 -2.90 0.22 0.00 0.04 0.00 0.00 34.50 31.93 1xnd s PRO 68 CO -0.15 0.20 0.61 -1.71 0.04 0.00 0.00 177.00 175.99 1xnd n ASN 69 N 0.70 2.52 0.00 6.66 4.05 0.69 -4.95 115.26 124.94 1xnd n ASN 69 Ca 0.01 -3.15 0.00 0.00 0.45 0.00 0.00 54.58 51.89 1xnd n ASN 69 Cb 0.48 -0.67 0.00 0.00 1.23 0.00 0.00 39.78 40.82 1xnd n ASN 69 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xnd n GLY 70 N 1.40 0.29 3.59 8.20 0.00 -1.26 -2.99 105.19 114.44 1xnd n GLY 70 Ca 0.26 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 1xnd n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xnd s ASN 71 N -4.00 6.25 0.16 1.61 3.84 -1.26 -2.43 114.94 119.11 1xnd s ASN 71 Ca 0.00 0.67 -0.21 0.00 0.21 0.00 0.00 52.86 53.52 1xnd s ASN 71 Cb 0.00 -2.54 0.06 0.00 -0.55 0.00 0.00 41.25 38.22 1xnd s ASN 71 CO 0.00 -1.53 0.56 -0.55 -2.79 0.00 0.00 177.10 172.79 1xnd s SER 72 N 4.18 -0.47 0.05 -4.21 0.15 -1.26 -1.54 113.70 110.61 1xnd s SER 72 Ca 0.59 -0.12 0.03 0.00 0.70 0.00 0.00 55.95 57.15 1xnd s SER 72 Cb -0.13 0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 64.74 1xnd s SER 72 CO 0.30 -0.97 -0.10 -0.31 1.20 0.00 0.00 173.24 173.37 1xnd s TYR 73 N -3.78 0.84 -0.16 3.44 2.02 0.25 -1.50 117.35 118.46 1xnd s TYR 73 Ca 0.02 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 1xnd s TYR 73 Cb -0.01 -0.49 0.03 0.00 -0.40 0.00 0.00 41.96 41.09 1xnd s TYR 73 CO -0.11 -0.05 -0.14 -1.17 -1.57 0.00 0.00 175.55 172.52 1xnd s LEU 74 N -1.73 1.84 0.12 -1.29 2.96 -0.12 -1.67 118.68 118.79 1xnd s LEU 74 Ca -0.06 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 53.18 1xnd s LEU 74 Cb -0.09 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.38 1xnd s LEU 74 CO 0.01 -0.07 0.23 -0.44 -1.32 0.00 0.00 176.35 174.75 1xnd s SER 75 N 1.46 0.09 -0.08 3.68 0.01 -0.76 -1.45 113.70 116.65 1xnd s SER 75 Ca 0.04 -0.76 -0.24 0.00 1.31 0.00 0.00 55.95 56.30 1xnd s SER 75 Cb -0.13 0.38 -0.03 0.00 0.21 0.00 0.00 66.02 66.44 1xnd s SER 75 CO -0.10 -0.80 0.73 -0.63 0.41 0.00 0.00 173.24 172.85 1xnd s ILE 76 N -3.91 5.01 -0.00 1.44 1.09 -0.05 -0.78 121.20 124.00 1xnd s ILE 76 Ca 0.11 1.49 0.02 0.00 -1.10 0.00 0.00 60.65 61.16 1xnd s ILE 76 Cb 0.04 -4.06 -0.01 0.00 -1.06 0.00 0.00 42.46 37.37 1xnd s ILE 76 CO -0.06 0.21 -0.06 -0.47 -0.10 0.00 0.00 174.94 174.46 1xnd s TYR 77 N 1.07 0.49 0.02 3.97 5.04 0.10 -0.84 117.35 127.21 1xnd s TYR 77 Ca 0.38 -0.11 -0.06 0.00 -2.44 0.00 0.00 57.07 54.84 1xnd s TYR 77 Cb -0.18 -0.32 0.02 0.00 0.35 0.00 0.00 41.96 41.84 1xnd s TYR 77 CO 0.17 -0.01 0.27 0.41 -1.34 0.00 0.00 175.55 175.06 1xnd n GLY 78 N 2.87 0.88 3.15 8.97 0.00 -0.96 -0.81 105.19 119.28 1xnd n GLY 78 Ca -0.13 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1xnd n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xnd s TRP 79 N -4.12 0.78 0.20 1.61 0.52 -0.96 -1.61 118.94 115.36 1xnd s TRP 79 Ca 0.06 -0.96 0.06 0.00 0.02 0.00 0.00 56.10 55.28 1xnd s TRP 79 Cb -0.00 -0.48 -0.05 0.00 -1.15 0.00 0.00 33.47 31.79 1xnd s TRP 79 CO 0.01 -0.22 -0.10 -1.54 0.02 0.00 0.00 176.95 175.12 1xnd s SER 80 N -3.00 2.26 0.15 2.95 1.04 -0.63 -0.40 113.70 116.08 1xnd s SER 80 Ca 0.10 -1.07 0.10 0.00 0.48 0.00 0.00 55.95 55.56 1xnd s SER 80 Cb 0.06 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 1xnd s SER 80 CO -0.06 -0.29 -0.21 -0.13 0.98 0.00 0.00 173.24 173.53 1xnd s ARG 81 N -3.72 1.66 -0.81 4.02 0.52 0.59 -1.82 118.95 119.38 1xnd s ARG 81 Ca 0.23 -1.34 -0.02 0.00 -0.52 0.00 0.00 55.73 54.08 1xnd s ARG 81 Cb 0.02 -1.99 -0.00 0.00 0.52 0.00 0.00 34.95 33.50 1xnd s ARG 81 CO 0.06 0.44 0.67 0.09 0.02 0.00 0.00 175.30 176.58 1xnd n ASN 82 N 0.55 -6.36 -4.84 0.23 5.03 -1.26 -1.16 115.26 107.45 1xnd n ASN 82 Ca -0.14 -0.53 -0.32 0.00 0.87 0.00 0.00 54.58 54.45 1xnd n ASN 82 Cb 0.54 -3.64 -0.02 0.00 -1.02 0.00 0.00 39.78 35.64 1xnd n ASN 82 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1xnd s PRO 83 N -4.07 3.81 -0.20 3.52 0.04 -1.26 -4.23 135.00 132.61 1xnd s PRO 83 Ca 0.04 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 1xnd s PRO 83 Cb -0.01 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1xnd s PRO 83 CO 0.82 -0.39 1.40 -1.17 0.04 0.00 0.00 177.00 177.69 1xnd s LEU 84 N -4.20 4.06 -0.05 -3.56 2.96 -1.26 -3.97 118.68 112.66 1xnd s LEU 84 Ca 0.60 1.61 0.01 0.00 -0.22 0.00 0.00 54.13 56.13 1xnd s LEU 84 Cb -0.11 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.06 1xnd s LEU 84 CO 0.33 -0.97 -0.07 -0.63 -1.32 0.00 0.00 176.35 173.69 1xnd s ILE 85 N 4.16 0.69 -0.22 6.68 -1.09 -0.76 -3.96 121.20 126.71 1xnd s ILE 85 Ca 0.61 -0.22 -0.09 0.00 -2.23 0.00 0.00 60.65 58.72 1xnd s ILE 85 Cb -0.22 -0.68 -0.04 0.00 -1.58 0.00 0.00 42.46 39.93 1xnd s ILE 85 CO 0.22 0.26 0.10 -0.70 -1.23 0.00 0.00 174.94 173.58 1xnd s GLU 86 N 0.80 3.94 0.18 2.79 2.12 -1.04 -1.61 118.70 125.88 1xnd s GLU 86 Ca -0.12 -0.35 0.08 0.00 0.36 0.00 0.00 54.97 54.94 1xnd s GLU 86 Cb -0.15 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1xnd s GLU 86 CO 0.01 0.09 -0.15 1.52 -0.54 0.00 0.00 175.26 176.19 1xnd s TYR 87 N 0.90 1.67 -0.05 5.30 -0.85 -0.64 -1.54 117.35 122.15 1xnd s TYR 87 Ca 0.05 -0.55 -0.02 0.00 -0.52 0.00 0.00 57.07 56.03 1xnd s TYR 87 Cb -0.13 -0.81 0.03 0.00 0.38 0.00 0.00 41.96 41.43 1xnd s TYR 87 CO 0.03 0.31 0.11 0.71 -1.52 0.00 0.00 175.55 175.19 1xnd s TYR 88 N -2.60 -0.12 -0.31 -3.49 1.51 -0.17 -2.28 117.35 109.90 1xnd s TYR 88 Ca 0.18 0.37 0.03 0.00 -1.01 0.00 0.00 57.07 56.64 1xnd s TYR 88 Cb -0.03 -0.09 0.09 0.00 -0.11 0.00 0.00 41.96 41.82 1xnd s TYR 88 CO 0.06 -0.13 0.01 0.96 -1.11 0.00 0.00 175.55 175.34 1xnd s ILE 89 N 0.95 1.98 -0.31 2.71 -5.25 -0.02 -0.82 121.20 120.44 1xnd s ILE 89 Ca -0.07 -1.93 -0.20 0.00 -0.99 0.00 0.00 60.65 57.45 1xnd s ILE 89 Cb -0.10 -2.36 -0.01 0.00 2.95 0.00 0.00 42.46 42.95 1xnd s ILE 89 CO -0.04 -0.42 0.64 0.54 -1.79 0.00 0.00 174.94 173.87 1xnd s VAL 90 N 1.10 4.92 0.10 8.37 0.11 0.28 -0.87 120.40 134.40 1xnd s VAL 90 Ca 0.04 0.84 -0.00 0.00 -2.93 0.00 0.00 61.98 59.93 1xnd s VAL 90 Cb -0.19 -4.02 -0.25 0.00 -1.53 0.00 0.00 36.38 30.39 1xnd s VAL 90 CO -0.09 -0.18 1.21 -0.33 -3.33 0.00 0.00 175.10 172.38 1xnd h GLU 91 N 8.23 0.19 -2.77 1.54 4.39 -1.56 0.44 114.58 125.04 1xnd h GLU 91 Ca -0.26 -0.30 0.02 0.00 0.34 0.00 0.00 59.36 59.15 1xnd h GLU 91 Cb 1.12 0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 29.75 1xnd h GLU 91 CO 0.81 1.13 0.30 1.21 -1.16 0.00 0.00 179.01 181.30 1xnd s ASN 92 N -7.00 -0.50 0.25 1.42 3.04 -1.16 -1.50 114.94 109.50 1xnd s ASN 92 Ca -0.02 -0.01 -0.21 0.00 0.04 0.00 0.00 52.86 52.66 1xnd s ASN 92 Cb 0.08 0.53 0.05 0.00 -1.54 0.00 0.00 41.25 40.37 1xnd s ASN 92 CO 0.86 -0.86 0.84 0.72 -3.04 0.00 0.00 177.10 175.62 1xnd s PHE 93 N -3.55 -0.08 0.00 0.43 -0.12 -1.26 -0.95 117.98 112.45 1xnd s PHE 93 Ca 0.02 -0.37 0.00 0.00 -0.05 0.00 0.00 56.93 56.53 1xnd s PHE 93 Cb -0.01 0.72 0.00 0.00 -0.63 0.00 0.00 43.02 43.09 1xnd s PHE 93 CO -0.12 -1.15 0.00 0.41 -0.05 0.00 0.00 175.22 174.31 1xnd n GLY 94 N -0.50 1.15 0.04 1.99 0.00 -0.56 -4.95 105.19 102.37 1xnd n GLY 94 Ca -0.05 -0.83 0.11 0.00 0.00 0.00 0.00 46.02 45.25 1xnd n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xnd n THR 95 N 0.00 0.64 -4.21 2.61 -2.24 -1.02 -4.67 114.28 105.39 1xnd n THR 95 Ca 0.00 0.10 -0.34 0.00 -2.27 0.00 0.00 64.05 61.54 1xnd n THR 95 Cb 0.00 -0.85 -0.14 0.00 -2.10 0.00 0.00 70.33 67.25 1xnd n THR 95 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1xnd s TYR 96 N -3.08 2.93 -0.17 4.78 5.04 -1.26 -4.97 117.35 120.62 1xnd s TYR 96 Ca 0.09 -0.75 -0.28 0.00 -2.44 0.00 0.00 57.07 53.68 1xnd s TYR 96 Cb 0.12 -2.01 -0.00 0.00 0.35 0.00 0.00 41.96 40.41 1xnd s TYR 96 CO 0.41 -0.37 0.98 1.21 -1.34 0.00 0.00 175.55 176.43 1xnd s ASN 97 N 1.00 7.12 0.54 4.32 2.47 -1.26 -4.85 114.94 124.28 1xnd s ASN 97 Ca -0.00 1.39 0.22 0.00 0.42 0.00 0.00 52.86 54.89 1xnd s ASN 97 Cb -0.15 -2.53 1.39 0.00 -1.45 0.00 0.00 41.25 38.52 1xnd s ASN 97 CO -0.00 -0.52 2.08 -0.65 -3.72 0.00 0.00 177.10 174.29 1xnd h PRO 98 N 7.29 0.00 0.00 0.43 0.11 -1.97 -2.37 132.00 135.49 1xnd h PRO 98 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1xnd h PRO 98 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xnd h PRO 98 CO 0.90 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.56 1xnd n SER 99 N -4.35 0.00 -4.74 -2.05 3.41 -1.26 -4.73 113.62 99.90 1xnd n SER 99 Ca 0.03 -0.86 -0.42 0.00 -0.26 0.00 0.00 58.87 57.37 1xnd n SER 99 Cb 0.36 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 1xnd n SER 99 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1xnd s THR 100 N -2.00 2.27 0.00 6.66 2.01 -0.89 -1.32 115.64 122.37 1xnd s THR 100 Ca 0.34 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1xnd s THR 100 Cb 0.16 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1xnd s THR 100 CO 0.27 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 1xnd n GLY 101 N 2.62 2.80 3.88 4.40 0.00 -1.26 -5.00 105.19 112.62 1xnd n GLY 101 Ca 0.10 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1xnd n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnd s ALA 102 N -1.74 3.22 -0.27 4.61 0.00 -0.43 -5.00 121.76 122.14 1xnd s ALA 102 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 1xnd s ALA 102 Cb 0.00 -2.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 1xnd s ALA 102 CO 0.00 -0.49 0.21 0.99 0.00 0.00 0.00 175.76 176.47 1xnd s THR 103 N -2.93 5.30 0.07 0.00 2.01 -1.12 -4.97 115.64 114.00 1xnd s THR 103 Ca 0.53 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.45 1xnd s THR 103 Cb -0.11 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1xnd s THR 103 CO 0.47 0.25 1.06 -0.75 -0.69 0.00 0.00 174.62 174.96 1xnd s LYS 104 N 1.70 4.55 -0.01 4.92 2.20 -1.26 -2.11 119.74 129.73 1xnd s LYS 104 Ca 0.08 1.57 0.08 0.00 -0.36 0.00 0.00 55.97 57.34 1xnd s LYS 104 Cb -0.16 -3.38 -0.12 0.00 -1.51 0.00 0.00 37.83 32.66 1xnd s LYS 104 CO 0.10 -0.04 0.20 1.28 -0.36 0.00 0.00 175.35 176.53 1xnd n LEU 105 N 3.47 0.07 0.00 5.43 4.32 0.11 -4.97 117.00 125.43 1xnd n LEU 105 Ca 0.06 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1xnd n LEU 105 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1xnd n LEU 105 CO 0.53 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.33 1xnd n GLY 106 N 1.89 -0.91 3.15 -0.72 0.00 -1.15 -4.98 105.19 102.46 1xnd n GLY 106 Ca -0.01 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 1xnd n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xnd s GLU 107 N -1.43 0.77 -0.17 1.61 2.02 -1.26 -0.86 118.70 119.38 1xnd s GLU 107 Ca 0.00 -1.20 -0.20 0.00 0.02 0.00 0.00 54.97 53.59 1xnd s GLU 107 Cb 0.00 0.26 0.05 0.00 0.10 0.00 0.00 34.13 34.54 1xnd s GLU 107 CO 0.00 -0.20 0.54 0.54 0.02 0.00 0.00 175.26 176.16 1xnd s VAL 108 N -3.94 0.01 -0.17 2.63 0.11 -0.91 -4.96 120.40 113.17 1xnd s VAL 108 Ca 0.11 -0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 59.04 1xnd s VAL 108 Cb 0.07 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1xnd s VAL 108 CO -0.07 -0.03 0.06 -0.89 -3.33 0.00 0.00 175.10 170.84 1xnd s THR 109 N -0.03 4.78 -0.20 5.04 2.01 -1.26 0.23 115.64 126.21 1xnd s THR 109 Ca -0.03 -0.04 -0.27 0.00 0.31 0.00 0.00 61.69 61.66 1xnd s THR 109 Cb -0.04 -3.14 0.08 0.00 0.01 0.00 0.00 72.50 69.42 1xnd s THR 109 CO 0.02 0.48 0.79 -0.55 -0.69 0.00 0.00 174.62 174.67 1xnd s SER 110 N 0.22 -0.63 -1.63 3.53 0.15 -0.21 -4.96 113.70 110.17 1xnd s SER 110 Ca 0.04 1.03 -0.13 0.00 0.70 0.00 0.00 55.95 57.59 1xnd s SER 110 Cb -0.12 0.98 0.11 0.00 -1.71 0.00 0.00 66.02 65.28 1xnd s SER 110 CO 0.00 -0.35 0.65 0.47 1.20 0.00 0.00 173.24 175.21 1xnd n ASP 111 N 1.90 -2.29 0.00 5.45 8.00 -1.26 -1.54 116.55 126.81 1xnd n ASP 111 Ca -0.15 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1xnd n ASP 111 Cb 0.56 -2.73 0.00 0.00 -0.02 0.00 0.00 41.12 38.93 1xnd n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xnd n GLY 112 N -1.61 0.72 3.39 0.44 0.00 -1.26 -4.97 105.19 101.90 1xnd n GLY 112 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1xnd n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xnd s SER 113 N -2.60 -0.43 0.37 1.61 0.15 -0.59 -4.99 113.70 107.22 1xnd s SER 113 Ca 0.00 0.10 -0.08 0.00 0.70 0.00 0.00 55.95 56.68 1xnd s SER 113 Cb 0.00 0.50 -0.06 0.00 -1.71 0.00 0.00 66.02 64.76 1xnd s SER 113 CO 0.00 -0.76 0.68 0.54 1.20 0.00 0.00 173.24 174.90 1xnd s VAL 114 N -2.74 4.89 0.06 4.45 0.11 -1.26 -1.05 120.40 124.86 1xnd s VAL 114 Ca -0.04 0.34 0.08 0.00 -2.93 0.00 0.00 61.98 59.44 1xnd s VAL 114 Cb -0.00 -3.75 -0.03 0.00 -1.53 0.00 0.00 36.38 31.07 1xnd s VAL 114 CO -0.04 -0.47 -0.22 -0.31 -3.33 0.00 0.00 175.10 170.72 1xnd s TYR 115 N -2.29 1.94 0.01 1.54 1.51 0.13 -2.39 117.35 117.81 1xnd s TYR 115 Ca 0.48 -0.39 -0.08 0.00 -1.01 0.00 0.00 57.07 56.07 1xnd s TYR 115 Cb -0.10 -1.14 -0.05 0.00 -0.11 0.00 0.00 41.96 40.55 1xnd s TYR 115 CO 0.32 0.13 0.29 -0.51 -1.11 0.00 0.00 175.55 174.67 1xnd s ASP 116 N -1.33 6.54 -0.17 2.29 1.01 -0.54 -2.13 116.67 122.34 1xnd s ASP 116 Ca 0.09 0.63 -0.03 0.00 0.71 0.00 0.00 52.55 53.94 1xnd s ASP 116 Cb -0.09 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 1xnd s ASP 116 CO 0.02 0.26 -0.06 -0.63 0.21 0.00 0.00 175.17 174.97 1xnd s ILE 117 N -1.28 3.56 0.06 0.77 1.01 -0.04 -0.37 121.20 124.92 1xnd s ILE 117 Ca 0.27 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1xnd s ILE 117 Cb -0.14 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 1xnd s ILE 117 CO 0.15 0.47 -0.07 -0.31 0.00 0.00 0.00 174.94 175.18 1xnd s TYR 118 N 0.72 0.73 -0.03 3.97 1.51 -0.30 0.10 117.35 124.05 1xnd s TYR 118 Ca -0.03 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.44 1xnd s TYR 118 Cb -0.15 -0.43 0.00 0.00 -0.11 0.00 0.00 41.96 41.27 1xnd s TYR 118 CO 0.02 -0.11 -0.09 0.50 -1.11 0.00 0.00 175.55 174.76 1xnd s ARG 119 N -2.23 0.96 0.24 -0.62 3.52 -0.90 -0.65 118.95 119.27 1xnd s ARG 119 Ca -0.04 -0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.27 1xnd s ARG 119 Cb -0.06 -0.90 -0.05 0.00 -1.56 0.00 0.00 34.95 32.39 1xnd s ARG 119 CO -0.01 0.12 0.09 0.95 -0.81 0.00 0.00 175.30 175.63 1xnd s THR 120 N 0.18 0.52 -0.06 4.11 -4.23 -0.68 -2.77 115.64 112.71 1xnd s THR 120 Ca -0.03 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 1xnd s THR 120 Cb -0.08 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.20 1xnd s THR 120 CO 0.00 -0.05 -0.06 -1.58 -0.54 0.00 0.00 174.62 172.39 1xnd s GLN 121 N -4.03 1.08 -0.09 3.99 0.74 -1.26 -0.60 119.66 119.48 1xnd s GLN 121 Ca 0.37 -0.17 -0.13 0.00 0.05 0.00 0.00 55.36 55.48 1xnd s GLN 121 Cb 0.08 -1.06 -0.05 0.00 1.10 0.00 0.00 33.01 33.08 1xnd s GLN 121 CO 0.12 -0.10 0.30 1.03 -0.55 0.00 0.00 175.29 176.10 1xnd s ARG 122 N 1.04 3.93 -0.22 1.67 1.81 0.83 -4.96 118.95 123.05 1xnd s ARG 122 Ca -0.09 0.16 0.01 0.00 -1.72 0.00 0.00 55.73 54.09 1xnd s ARG 122 Cb -0.14 -3.29 0.03 0.00 -0.45 0.00 0.00 34.95 31.10 1xnd s ARG 122 CO -0.00 0.53 -0.13 0.08 -0.68 0.00 0.00 175.30 175.09 1xnd s VAL 123 N -0.45 2.31 -1.01 3.52 1.01 -1.26 -1.06 120.40 123.45 1xnd s VAL 123 Ca 0.19 -1.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1xnd s VAL 123 Cb -0.14 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1xnd s VAL 123 CO 0.07 0.27 0.80 0.59 0.00 0.00 0.00 175.10 176.84 1xnd n ASN 124 N 4.57 -6.14 -4.41 3.32 5.03 0.29 -4.97 115.26 112.97 1xnd n ASN 124 Ca -0.18 -0.75 -0.25 0.00 0.87 0.00 0.00 54.58 54.27 1xnd n ASN 124 Cb 0.47 -4.11 -0.11 0.00 -1.02 0.00 0.00 39.78 35.00 1xnd n ASN 124 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1xnd s GLN 125 N -4.89 1.48 0.31 3.52 -1.52 0.27 -4.70 119.66 114.13 1xnd s GLN 125 Ca 0.35 -1.55 -0.27 0.00 -1.95 0.00 0.00 55.36 51.93 1xnd s GLN 125 Cb -0.09 -1.68 -0.14 0.00 -0.22 0.00 0.00 33.01 30.88 1xnd s GLN 125 CO 0.81 0.35 1.00 -0.35 -0.25 0.00 0.00 175.29 176.85 1xnd n PRO 126 N 0.08 1.35 -4.11 2.91 -0.04 -1.26 -0.53 135.00 133.40 1xnd n PRO 126 Ca -0.11 0.47 -0.13 0.00 -0.04 0.00 0.00 63.50 63.69 1xnd n PRO 126 Cb 0.57 -1.87 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 1xnd n PRO 126 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1xnd s SER 127 N -0.58 0.57 0.62 3.54 1.04 -1.11 -4.84 113.70 112.95 1xnd s SER 127 Ca 0.59 -1.35 0.26 0.00 0.48 0.00 0.00 55.95 55.93 1xnd s SER 127 Cb -0.68 0.57 1.35 0.00 0.10 0.00 0.00 66.02 67.36 1xnd s SER 127 CO 0.60 -1.14 1.77 -0.29 0.98 0.00 0.00 173.24 175.16 1xnd h ILE 128 N 2.26 0.17 -0.01 -1.02 2.10 -1.99 -2.25 117.51 116.76 1xnd h ILE 128 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.65 1xnd h ILE 128 Cb 1.24 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 1xnd h ILE 128 CO 0.41 0.00 -0.18 0.00 -1.08 0.00 0.00 178.15 177.29 1xnd n ILE 129 N -3.27 0.00 0.00 2.19 0.13 -1.26 -5.12 119.36 112.03 1xnd n ILE 129 Ca 0.05 -0.41 0.00 0.00 -1.10 0.00 0.00 62.75 61.30 1xnd n ILE 129 Cb 0.68 1.10 0.00 0.00 -0.84 0.00 0.00 39.64 40.58 1xnd n ILE 129 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1xnd n GLY 130 N 0.84 -1.63 3.68 4.50 0.00 -0.85 -4.98 105.19 106.75 1xnd n GLY 130 Ca 0.03 -2.15 -0.52 0.00 0.00 0.00 0.00 46.02 43.38 1xnd n GLY 130 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xnd n THR 131 N -0.10 0.37 -3.95 2.61 -1.04 -1.26 -2.74 114.28 108.17 1xnd n THR 131 Ca 0.00 -0.07 -0.10 0.00 -2.04 0.00 0.00 64.05 61.85 1xnd n THR 131 Cb 0.00 -1.52 -0.06 0.00 -1.82 0.00 0.00 70.33 66.93 1xnd n THR 131 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xnd s ALA 132 N 3.23 -0.14 -0.13 2.41 0.00 0.31 -4.86 121.76 122.57 1xnd s ALA 132 Ca 0.92 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 52.06 1xnd s ALA 132 Cb -0.84 0.94 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 1xnd s ALA 132 CO 0.55 -0.72 -0.13 0.99 0.00 0.00 0.00 175.76 176.44 1xnd s THR 133 N -3.98 3.01 0.07 0.00 2.01 -1.26 -0.54 115.64 114.95 1xnd s THR 133 Ca 0.18 -0.68 -0.22 0.00 0.31 0.00 0.00 61.69 61.29 1xnd s THR 133 Cb 0.02 -2.26 0.05 0.00 0.01 0.00 0.00 72.50 70.32 1xnd s THR 133 CO 0.03 0.52 0.51 0.72 -0.69 0.00 0.00 174.62 175.71 1xnd s PHE 134 N 0.37 -0.41 0.25 4.92 -0.71 -0.23 -4.94 117.98 117.22 1xnd s PHE 134 Ca -0.11 0.37 -0.14 0.00 -1.04 0.00 0.00 56.93 56.00 1xnd s PHE 134 Cb -0.16 0.36 -0.08 0.00 -1.21 0.00 0.00 43.02 41.93 1xnd s PHE 134 CO 0.06 -0.68 0.65 0.71 -1.34 0.00 0.00 175.22 174.62 1xnd s TYR 135 N -2.81 3.48 -0.20 3.49 2.02 -1.25 -0.12 117.35 121.95 1xnd s TYR 135 Ca -0.03 1.13 -0.01 0.00 -0.37 0.00 0.00 57.07 57.80 1xnd s TYR 135 Cb -0.00 -2.45 0.01 0.00 -0.40 0.00 0.00 41.96 39.12 1xnd s TYR 135 CO -0.05 0.25 -0.14 -1.14 -1.57 0.00 0.00 175.55 172.90 1xnd s GLN 136 N -2.55 3.09 -0.04 -0.62 0.74 0.23 -2.51 119.66 118.00 1xnd s GLN 136 Ca 0.47 -0.78 -0.02 0.00 0.05 0.00 0.00 55.36 55.08 1xnd s GLN 136 Cb -0.13 -2.74 -0.04 0.00 1.10 0.00 0.00 33.01 31.21 1xnd s GLN 136 CO 0.19 -0.22 0.09 0.71 -0.55 0.00 0.00 175.29 175.51 1xnd s TYR 137 N 1.35 3.35 -0.01 1.67 2.02 -0.59 -1.69 117.35 123.45 1xnd s TYR 137 Ca 0.05 0.28 0.01 0.00 -0.37 0.00 0.00 57.07 57.04 1xnd s TYR 137 Cb -0.14 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.63 1xnd s TYR 137 CO -0.09 0.58 -0.03 -1.58 -1.57 0.00 0.00 175.55 172.86 1xnd s TRP 138 N -1.12 0.34 -0.20 2.71 0.52 0.17 -1.00 118.94 120.37 1xnd s TRP 138 Ca 0.20 -0.06 -0.01 0.00 0.02 0.00 0.00 56.10 56.26 1xnd s TRP 138 Cb -0.12 -0.26 0.02 0.00 -1.15 0.00 0.00 33.47 31.96 1xnd s TRP 138 CO 0.10 -0.03 -0.14 -1.12 0.02 0.00 0.00 176.95 175.79 1xnd s SER 139 N 0.11 3.65 -0.24 2.95 0.01 -0.00 -1.15 113.70 119.04 1xnd s SER 139 Ca -0.01 -0.64 -0.07 0.00 1.31 0.00 0.00 55.95 56.54 1xnd s SER 139 Cb -0.04 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.59 1xnd s SER 139 CO -0.00 -0.03 0.05 -0.69 0.41 0.00 0.00 173.24 172.98 1xnd s VAL 140 N 1.34 4.23 -0.08 3.43 1.01 0.51 -0.56 120.40 130.28 1xnd s VAL 140 Ca 0.04 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1xnd s VAL 140 Cb -0.14 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1xnd s VAL 140 CO -0.09 0.36 1.55 -0.60 0.00 0.00 0.00 175.10 176.33 1xnd s ARG 141 N 1.45 4.20 0.15 2.72 3.52 0.15 -1.46 118.95 129.67 1xnd s ARG 141 Ca 0.05 2.06 -0.13 0.00 -0.13 0.00 0.00 55.73 57.58 1xnd s ARG 141 Cb -0.15 -3.91 0.03 0.00 -1.56 0.00 0.00 34.95 29.36 1xnd s ARG 141 CO 0.03 -0.80 1.64 0.00 -0.81 0.00 0.00 175.30 175.36 1xnd h ARG 142 N 9.14 0.82 -4.48 5.12 3.08 -1.80 -3.37 114.38 122.89 1xnd h ARG 142 Ca -0.36 -0.21 -0.73 0.00 0.07 0.00 0.00 59.98 58.74 1xnd h ARG 142 Cb 1.16 -0.10 -0.21 0.00 0.08 0.00 0.00 29.97 30.90 1xnd h ARG 142 CO 0.96 0.81 0.31 -0.80 -1.07 0.00 0.00 179.97 180.18 1xnd s ASN 143 N -6.20 6.52 0.51 7.04 -0.87 -1.26 -5.04 114.94 115.64 1xnd s ASN 143 Ca -0.13 -2.06 -0.21 0.00 -1.57 0.00 0.00 52.86 48.89 1xnd s ASN 143 Cb 0.12 -2.30 -0.06 0.00 -0.02 0.00 0.00 41.25 38.99 1xnd s ASN 143 CO 0.80 -0.91 1.18 -1.00 -2.57 0.00 0.00 177.10 174.61 1xnd s HIS 144 N 1.78 2.67 0.07 2.20 3.76 -1.26 -5.01 115.29 119.51 1xnd s HIS 144 Ca 0.20 1.52 -0.15 0.00 -0.15 0.00 0.00 55.06 56.47 1xnd s HIS 144 Cb -0.14 -3.42 0.03 0.00 1.11 0.00 0.00 32.58 30.16 1xnd s HIS 144 CO -0.04 -1.80 0.36 -0.98 -0.85 0.00 0.00 174.74 171.44 1xnd s ARG 145 N -2.98 0.93 0.00 1.40 1.70 -0.56 -5.00 118.95 114.44 1xnd s ARG 145 Ca 0.69 -0.57 0.15 0.00 -0.47 0.00 0.00 55.73 55.53 1xnd s ARG 145 Cb -0.29 0.41 0.03 0.00 -0.57 0.00 0.00 34.95 34.53 1xnd s ARG 145 CO 0.34 -0.33 0.85 0.43 -1.08 0.00 0.00 175.30 175.51 1xnd n SER 146 N 0.23 1.72 -3.85 -2.89 7.64 -1.26 -4.06 113.62 111.15 1xnd n SER 146 Ca -0.17 -1.36 -0.10 0.00 1.01 0.00 0.00 58.87 58.24 1xnd n SER 146 Cb 0.61 0.35 -0.08 0.00 -1.01 0.00 0.00 64.21 64.08 1xnd n SER 146 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1xnd s SER 147 N -1.65 0.04 0.00 6.43 1.04 -1.26 -4.08 113.70 114.22 1xnd s SER 147 Ca 0.14 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1xnd s SER 147 Cb 0.12 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1xnd s SER 147 CO 0.32 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1xnd n GLY 148 N 0.69 -0.55 3.26 7.32 0.00 -0.56 -4.99 105.19 110.36 1xnd n GLY 148 Ca -0.19 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 1xnd n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnd s SER 149 N -4.00 2.35 -0.09 1.61 0.01 -1.26 -1.72 113.70 110.60 1xnd s SER 149 Ca 0.00 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.58 1xnd s SER 149 Cb 0.00 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.13 1xnd s SER 149 CO 0.00 0.02 -0.11 -0.69 0.41 0.00 0.00 173.24 172.87 1xnd s VAL 150 N -1.29 1.14 -0.63 3.43 1.01 0.92 -4.86 120.40 120.12 1xnd s VAL 150 Ca 0.05 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 1xnd s VAL 150 Cb -0.09 -1.09 0.09 0.00 0.00 0.00 0.00 36.38 35.29 1xnd s VAL 150 CO 0.04 0.37 0.83 0.21 0.00 0.00 0.00 175.10 176.55 1xnd s ASN 151 N 1.09 6.20 0.47 3.32 3.84 -1.26 -0.80 114.94 127.80 1xnd s ASN 151 Ca -0.06 -1.29 0.13 0.00 0.21 0.00 0.00 52.86 51.85 1xnd s ASN 151 Cb -0.14 -2.35 1.10 0.00 -0.55 0.00 0.00 41.25 39.30 1xnd s ASN 151 CO -0.02 -1.25 2.09 0.71 -2.79 0.00 0.00 177.10 175.85 1xnd h THR 152 N 5.93 1.05 -1.01 -5.21 1.35 -1.73 -2.53 112.91 110.76 1xnd h THR 152 Ca -0.27 -0.17 0.20 0.00 -0.55 0.00 0.00 66.41 65.62 1xnd h THR 152 Cb 1.08 0.91 -0.11 0.00 -1.73 0.00 0.00 68.15 68.30 1xnd h THR 152 CO 1.13 0.06 0.61 0.00 -0.25 0.00 0.00 175.52 177.08 1xnd h ALA 153 N 1.89 1.70 -0.66 6.62 0.00 -1.78 -0.12 119.26 126.91 1xnd h ALA 153 Ca 0.04 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1xnd h ALA 153 Cb 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1xnd h ALA 153 CO -0.00 -0.09 0.23 -0.91 0.00 0.00 0.00 179.25 178.47 1xnd h ASN 154 N 0.73 0.95 -0.06 0.00 -0.26 -1.78 0.10 115.58 115.25 1xnd h ASN 154 Ca 0.59 -0.20 -0.07 0.00 -0.56 0.00 0.00 56.30 56.07 1xnd h ASN 154 Cb 0.97 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.98 1xnd h ASN 154 CO -0.40 0.89 -0.23 0.45 -1.06 0.00 0.00 177.43 177.08 1xnd h HIS 155 N 0.95 0.36 0.00 1.19 3.86 -1.33 -2.03 115.15 118.15 1xnd h HIS 155 Ca 0.22 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 1xnd h HIS 155 Cb 0.27 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1xnd h HIS 155 CO 0.02 0.86 -0.22 0.74 0.86 0.00 0.00 177.93 180.19 1xnd h PHE 156 N -0.24 0.00 -0.12 2.45 0.04 -0.82 -0.57 116.94 117.68 1xnd h PHE 156 Ca -0.01 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.57 1xnd h PHE 156 Cb 0.87 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.03 1xnd h PHE 156 CO 0.13 0.22 -0.65 -0.91 -0.60 0.00 0.00 178.31 176.50 1xnd h ASN 157 N 0.00 0.78 -0.37 2.17 -0.26 -0.76 -1.42 115.58 115.73 1xnd h ASN 157 Ca -0.00 -0.64 0.00 0.00 -0.56 0.00 0.00 56.30 55.10 1xnd h ASN 157 Cb 0.40 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 1xnd h ASN 157 CO 0.03 1.29 0.24 0.00 -1.06 0.00 0.00 177.43 177.93 1xnd h ALA 158 N 0.50 0.47 -0.58 -0.83 0.00 -0.96 -2.53 119.26 115.33 1xnd h ALA 158 Ca -0.05 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1xnd h ALA 158 Cb 1.29 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1xnd h ALA 158 CO 0.13 -0.06 0.33 -1.49 0.00 0.00 0.00 179.25 178.16 1xnd h TRP 159 N 0.49 0.61 -0.71 0.00 6.55 -1.08 -2.28 115.95 119.53 1xnd h TRP 159 Ca 0.13 0.02 0.08 0.00 0.95 0.00 0.00 58.89 60.07 1xnd h TRP 159 Cb -0.03 -0.19 -0.06 0.00 -0.86 0.00 0.00 29.16 28.01 1xnd h TRP 159 CO -0.05 0.32 0.38 0.00 -1.05 0.00 0.00 178.44 178.05 1xnd h ALA 160 N 1.28 0.98 -0.00 1.49 0.00 -0.88 0.24 119.26 122.36 1xnd h ALA 160 Ca 0.25 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xnd h ALA 160 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xnd h ALA 160 CO -0.14 0.02 -0.08 -1.13 0.00 0.00 0.00 179.25 177.92 1xnd n SER 161 N -4.81 0.58 -1.05 0.00 3.41 -0.99 -1.05 113.62 109.70 1xnd n SER 161 Ca 0.10 -0.80 0.12 0.00 -0.26 0.00 0.00 58.87 58.03 1xnd n SER 161 Cb 0.23 -0.04 0.16 0.00 -0.26 0.00 0.00 64.21 64.30 1xnd n SER 161 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xnd n HIS 162 N -0.77 0.26 -0.21 7.33 -0.00 -0.63 -4.94 115.22 116.26 1xnd n HIS 162 Ca 0.17 -0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1xnd n HIS 162 Cb 0.26 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.25 1xnd n HIS 162 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xnd n GLY 163 N 1.41 1.00 3.23 -1.41 0.00 -0.22 -5.04 105.19 104.16 1xnd n GLY 163 Ca 0.17 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1xnd n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnd s LEU 164 N 0.00 6.00 0.94 0.99 1.02 0.75 -4.97 118.68 123.41 1xnd s LEU 164 Ca 0.00 -3.46 -0.10 0.00 0.02 0.00 0.00 54.13 50.59 1xnd s LEU 164 Cb 0.00 -2.06 0.16 0.00 0.02 0.00 0.00 46.19 44.31 1xnd s LEU 164 CO 0.00 -0.29 1.14 0.28 0.02 0.00 0.00 176.35 177.50 1xnd s THR 165 N -1.00 2.01 0.02 5.49 -1.32 -1.26 -3.88 115.64 115.70 1xnd s THR 165 Ca 0.26 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.76 1xnd s THR 165 Cb -0.10 -2.00 -0.02 0.00 -1.51 0.00 0.00 72.50 68.87 1xnd s THR 165 CO -0.09 -0.00 -0.05 -0.76 -2.21 0.00 0.00 174.62 171.50 1xnd s LEU 166 N -6.69 2.16 0.00 9.08 1.43 -1.26 -4.96 118.68 118.45 1xnd s LEU 166 Ca 0.67 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1xnd s LEU 166 Cb -0.23 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 45.86 1xnd s LEU 166 CO 0.59 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.65 1xnd n GLY 167 N 2.06 1.51 3.73 -3.19 0.00 -1.25 -4.85 105.19 103.20 1xnd n GLY 167 Ca -0.19 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 1xnd n GLY 167 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xnd s THR 168 N 2.99 4.44 0.05 2.61 -1.32 -0.31 -4.75 115.64 119.36 1xnd s THR 168 Ca 0.00 1.98 -0.30 0.00 -1.21 0.00 0.00 61.69 62.16 1xnd s THR 168 Cb 0.00 -4.27 -0.05 0.00 -1.51 0.00 0.00 72.50 66.67 1xnd s THR 168 CO 0.00 0.28 1.13 -0.04 -2.21 0.00 0.00 174.62 173.79 1xnd s MET 169 N 0.14 4.47 0.00 7.08 1.00 -1.26 -0.30 119.30 130.43 1xnd s MET 169 Ca 0.49 1.67 0.00 0.00 0.00 0.00 0.00 55.69 57.85 1xnd s MET 169 Cb -0.24 -3.37 0.00 0.00 0.00 0.00 0.00 34.83 31.21 1xnd s MET 169 CO 0.30 -0.19 0.00 -0.25 0.00 0.00 0.00 175.02 174.88 1xnd n ASP 170 N 3.86 0.00 -4.81 3.03 8.00 0.47 -4.56 116.55 122.54 1xnd n ASP 170 Ca 0.08 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.27 1xnd n ASP 170 Cb 0.48 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.62 1xnd n ASP 170 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1xnd s TYR 171 N 3.21 3.06 -0.20 1.24 -0.85 -1.26 -1.02 117.35 121.53 1xnd s TYR 171 Ca 0.00 1.45 -0.04 0.00 -0.52 0.00 0.00 57.07 57.96 1xnd s TYR 171 Cb 0.00 -2.91 0.10 0.00 0.38 0.00 0.00 41.96 39.52 1xnd s TYR 171 CO 0.00 -1.24 0.27 -1.14 -1.52 0.00 0.00 175.55 171.92 1xnd s GLN 172 N -4.84 0.22 0.07 -3.49 0.74 -0.21 -2.26 119.66 109.89 1xnd s GLN 172 Ca 0.59 0.40 0.05 0.00 0.05 0.00 0.00 55.36 56.45 1xnd s GLN 172 Cb -0.15 -0.78 -0.03 0.00 1.10 0.00 0.00 33.01 33.16 1xnd s GLN 172 CO 0.51 -0.57 -0.14 -1.50 -0.55 0.00 0.00 175.29 173.04 1xnd s ILE 173 N 2.40 1.08 -0.27 -2.34 1.10 0.01 -0.34 121.20 122.84 1xnd s ILE 173 Ca 0.07 -1.31 -0.16 0.00 -0.51 0.00 0.00 60.65 58.75 1xnd s ILE 173 Cb -0.15 -1.06 -0.03 0.00 0.15 0.00 0.00 42.46 41.37 1xnd s ILE 173 CO -0.12 -0.24 0.42 -0.69 -2.11 0.00 0.00 174.94 172.19 1xnd s VAL 174 N -1.31 5.14 0.01 4.00 1.01 -0.33 -0.72 120.40 128.20 1xnd s VAL 174 Ca -0.02 0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.63 1xnd s VAL 174 Cb -0.10 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1xnd s VAL 174 CO 0.02 0.11 -0.18 0.00 0.00 0.00 0.00 175.10 175.06 1xnd s ALA 175 N 2.15 1.47 -0.17 5.51 0.00 0.04 -2.74 121.76 128.02 1xnd s ALA 175 Ca 0.17 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 1xnd s ALA 175 Cb -0.16 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1xnd s ALA 175 CO 0.10 0.34 0.05 0.14 0.00 0.00 0.00 175.76 176.39 1xnd s VAL 176 N -0.57 4.67 -0.05 0.00 -7.23 -0.42 -1.82 120.40 114.99 1xnd s VAL 176 Ca 0.06 -0.08 0.05 0.00 -1.81 0.00 0.00 61.98 60.20 1xnd s VAL 176 Cb -0.07 -3.09 -0.02 0.00 0.56 0.00 0.00 36.38 33.76 1xnd s VAL 176 CO 0.00 0.48 -0.18 -0.70 -0.31 0.00 0.00 175.10 174.39 1xnd s GLU 177 N 0.22 2.45 0.07 4.82 2.12 -0.67 -1.05 118.70 126.66 1xnd s GLU 177 Ca 0.03 -0.77 0.06 0.00 0.36 0.00 0.00 54.97 54.65 1xnd s GLU 177 Cb -0.12 -2.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 1xnd s GLU 177 CO 0.01 0.57 -0.16 0.20 -0.54 0.00 0.00 175.26 175.33 1xnd s GLY 178 N -0.59 0.95 -0.32 -1.50 0.00 -0.65 -0.59 107.32 104.62 1xnd s GLY 178 Ca 0.09 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 1xnd s GLY 178 CO 0.01 -1.02 0.13 -0.47 0.00 0.00 0.00 173.10 171.74 1xnd s TYR 179 N -1.11 1.27 -1.11 1.90 5.04 -0.59 -2.07 117.35 120.69 1xnd s TYR 179 Ca 0.02 -1.54 -0.20 0.00 -2.44 0.00 0.00 57.07 52.90 1xnd s TYR 179 Cb -0.09 -1.44 -0.01 0.00 0.35 0.00 0.00 41.96 40.77 1xnd s TYR 179 CO 0.02 -0.85 0.78 1.19 -1.34 0.00 0.00 175.55 175.35 1xnd n PHE 180 N 4.80 -1.93 -2.53 4.97 3.01 0.24 -4.41 117.46 121.62 1xnd n PHE 180 Ca -0.01 0.47 0.00 0.00 1.01 0.00 0.00 57.45 58.92 1xnd n PHE 180 Cb 0.41 -3.39 0.00 0.00 -0.01 0.00 0.00 39.48 36.49 1xnd n PHE 180 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1xnd n SER 181 N -2.60 0.00 -4.13 4.37 3.41 -1.26 -4.75 113.62 108.66 1xnd n SER 181 Ca -0.10 -0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.41 1xnd n SER 181 Cb 0.59 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1xnd n SER 181 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xnd s SER 182 N 1.47 0.92 0.00 4.04 0.01 -1.16 -0.99 113.70 117.98 1xnd s SER 182 Ca 0.00 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.31 1xnd s SER 182 Cb 0.00 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1xnd s SER 182 CO 0.00 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.79 1xnd n GLY 183 N 0.18 -0.97 3.48 3.44 0.00 0.20 -0.22 105.19 111.30 1xnd n GLY 183 Ca -0.14 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 1xnd n GLY 183 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xnd s SER 184 N -4.00 -0.59 -0.23 1.61 0.15 -0.74 -2.04 113.70 107.86 1xnd s SER 184 Ca 0.00 1.08 -0.25 0.00 0.70 0.00 0.00 55.95 57.48 1xnd s SER 184 Cb 0.00 1.08 0.07 0.00 -1.71 0.00 0.00 66.02 65.46 1xnd s SER 184 CO 0.00 -0.26 0.68 0.00 1.20 0.00 0.00 173.24 174.86 1xnd s ALA 185 N 0.07 -1.69 -0.17 5.45 0.00 -0.61 0.01 121.76 124.80 1xnd s ALA 185 Ca -0.02 1.84 -0.01 0.00 0.00 0.00 0.00 51.96 53.78 1xnd s ALA 185 Cb -0.04 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.15 1xnd s ALA 185 CO 0.02 -0.33 -0.04 0.45 0.00 0.00 0.00 175.76 175.86 1xnd s SER 186 N 0.16 2.91 0.08 0.00 0.15 -0.02 -1.69 113.70 115.29 1xnd s SER 186 Ca -0.01 -0.72 0.03 0.00 0.70 0.00 0.00 55.95 55.95 1xnd s SER 186 Cb -0.04 -0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 63.34 1xnd s SER 186 CO 0.02 -0.20 -0.10 0.27 1.20 0.00 0.00 173.24 174.43 1xnd s ILE 187 N 1.64 0.85 -0.07 6.45 -5.25 -0.37 -1.00 121.20 123.44 1xnd s ILE 187 Ca -0.00 -1.42 0.03 0.00 -0.99 0.00 0.00 60.65 58.27 1xnd s ILE 187 Cb -0.16 -1.09 0.01 0.00 2.95 0.00 0.00 42.46 44.17 1xnd s ILE 187 CO -0.07 -0.45 -0.16 -0.89 -1.79 0.00 0.00 174.94 171.58 1xnd s THR 188 N -1.94 1.39 0.06 8.37 2.01 0.45 -1.52 115.64 124.46 1xnd s THR 188 Ca -0.00 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.39 1xnd s THR 188 Cb -0.06 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 1xnd s THR 188 CO 0.00 0.41 0.05 -0.69 -0.69 0.00 0.00 174.62 173.70 1xnd s VAL 189 N 0.51 4.36 0.00 3.82 1.01 -0.43 -1.39 120.40 128.28 1xnd s VAL 189 Ca -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1xnd s VAL 189 Cb -0.16 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1xnd s VAL 189 CO 0.05 0.20 0.00 -1.54 0.00 0.00 0.00 175.10 173.80