#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxn s SER 2 N 0.00 6.91 0.60 0.00 1.04 -1.26 -4.56 113.70 116.43 1xxn s SER 2 Ca 0.00 1.13 -0.16 0.00 0.48 0.00 0.00 55.95 57.39 1xxn s SER 2 Cb 0.00 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 1xxn s SER 2 CO 0.00 0.19 1.09 0.42 0.98 0.00 0.00 173.24 175.93 1xxn s THR 3 N -1.29 3.43 -0.00 2.02 -4.23 -1.26 -4.96 115.64 109.35 1xxn s THR 3 Ca 0.33 0.73 0.00 0.00 -1.18 0.00 0.00 61.69 61.57 1xxn s THR 3 Cb -0.17 -3.24 0.01 0.00 1.34 0.00 0.00 72.50 70.43 1xxn s THR 3 CO 0.18 -0.35 0.75 -0.90 -0.54 0.00 0.00 174.62 173.76 1xxn n ASP 4 N -1.98 0.10 -3.87 3.99 5.68 0.50 -4.91 116.55 116.06 1xxn n ASP 4 Ca 0.10 -1.52 -0.14 0.00 -0.50 0.00 0.00 54.79 52.72 1xxn n ASP 4 Cb 0.52 -0.10 -0.15 0.00 -1.14 0.00 0.00 41.12 40.25 1xxn n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1xxn s TYR 5 N -0.09 0.19 -0.25 2.11 5.04 -0.45 -4.55 117.35 119.36 1xxn s TYR 5 Ca 0.01 -0.01 0.02 0.00 -2.44 0.00 0.00 57.07 54.65 1xxn s TYR 5 Cb 0.01 -0.20 0.05 0.00 0.35 0.00 0.00 41.96 42.17 1xxn s TYR 5 CO 0.00 -0.04 -0.12 -0.46 -1.34 0.00 0.00 175.55 173.59 1xxn s TRP 6 N 0.34 3.15 -0.30 4.97 -0.00 -1.26 -1.73 118.94 124.10 1xxn s TRP 6 Ca -0.03 -2.08 -0.14 0.00 -0.00 0.00 0.00 56.10 53.85 1xxn s TRP 6 Cb -0.05 -1.95 -0.03 0.00 -0.00 0.00 0.00 33.47 31.43 1xxn s TRP 6 CO -0.01 -0.85 0.32 -1.14 -0.00 0.00 0.00 176.95 175.27 1xxn s GLN 7 N 1.17 3.83 -0.33 5.86 2.00 0.75 -4.98 119.66 127.95 1xxn s GLN 7 Ca -0.05 -0.23 0.00 0.00 -2.00 0.00 0.00 55.36 53.08 1xxn s GLN 7 Cb -0.18 -3.71 0.14 0.00 0.80 0.00 0.00 33.01 30.05 1xxn s GLN 7 CO -0.06 -0.34 0.29 1.21 -0.50 0.00 0.00 175.29 175.88 1xxn s ASN 8 N 1.71 1.98 -0.03 6.67 2.47 -1.26 -0.29 114.94 126.19 1xxn s ASN 8 Ca 0.11 -1.40 0.03 0.00 0.42 0.00 0.00 52.86 52.02 1xxn s ASN 8 Cb -0.16 0.24 0.00 0.00 -1.45 0.00 0.00 41.25 39.88 1xxn s ASN 8 CO 0.11 -0.33 -0.11 0.86 -3.72 0.00 0.00 177.10 173.91 1xxn s TRP 9 N 1.74 1.10 0.04 0.43 -0.00 -0.25 -5.02 118.94 116.97 1xxn s TRP 9 Ca 0.14 -0.28 0.03 0.00 -0.00 0.00 0.00 56.10 55.98 1xxn s TRP 9 Cb -0.16 -0.77 -0.02 0.00 -0.00 0.00 0.00 33.47 32.51 1xxn s TRP 9 CO -0.16 -0.11 -0.09 -0.08 -0.00 0.00 0.00 176.95 176.50 1xxn s THR 10 N 0.16 0.69 -1.88 5.86 -1.32 -1.26 -0.46 115.64 117.43 1xxn s THR 10 Ca -0.03 -0.95 0.30 0.00 -1.21 0.00 0.00 61.69 59.80 1xxn s THR 10 Cb -0.09 -0.69 0.79 0.00 -1.51 0.00 0.00 72.50 71.00 1xxn s THR 10 CO 0.01 -0.21 2.11 -0.90 -2.21 0.00 0.00 174.62 173.42 1xxn n ASP 11 N 1.77 0.00 0.00 8.08 5.68 0.04 -4.89 116.55 127.22 1xxn n ASP 11 Ca -0.20 -0.77 0.00 0.00 -0.50 0.00 0.00 54.79 53.32 1xxn n ASP 11 Cb 0.55 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1xxn n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xxn n GLY 12 N 0.95 0.55 3.72 6.12 0.00 -1.26 -4.99 105.19 110.28 1xxn n GLY 12 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1xxn n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xxn s GLY 13 N -2.12 2.18 0.00 -0.02 0.00 -1.26 -4.82 107.32 101.28 1xxn s GLY 13 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.75 1xxn s GLY 13 CO 0.00 2.21 0.00 0.61 0.00 0.00 0.00 173.10 175.92 1xxn n GLY 14 N 3.23 2.73 3.06 0.20 0.00 -1.19 -2.63 105.19 110.59 1xxn n GLY 14 Ca 0.10 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1xxn n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xxn s ILE 15 N 0.00 1.66 -0.28 -0.61 1.01 -0.30 -4.96 121.20 117.72 1xxn s ILE 15 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1xxn s ILE 15 Cb 0.00 -1.53 0.08 0.00 0.01 0.00 0.00 42.46 41.02 1xxn s ILE 15 CO 0.00 0.47 0.01 -0.69 0.00 0.00 0.00 174.94 174.74 1xxn s VAL 16 N 1.26 1.58 -0.46 2.92 1.01 -1.26 -0.46 120.40 125.00 1xxn s VAL 16 Ca 0.01 -1.59 -0.08 0.00 0.00 0.00 0.00 61.98 60.32 1xxn s VAL 16 Cb -0.14 -2.02 0.11 0.00 0.00 0.00 0.00 36.38 34.34 1xxn s VAL 16 CO -0.08 -0.39 0.32 0.20 0.00 0.00 0.00 175.10 175.15 1xxn s ASN 17 N 1.31 5.62 -0.16 3.32 0.01 0.87 -4.99 114.94 120.93 1xxn s ASN 17 Ca 0.03 -1.90 -0.06 0.00 -0.71 0.00 0.00 52.86 50.22 1xxn s ASN 17 Cb -0.18 -1.98 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 1xxn s ASN 17 CO -0.12 -0.66 0.06 0.00 -1.51 0.00 0.00 177.10 174.88 1xxn s ALA 18 N 1.33 3.44 -0.19 0.60 0.00 -1.26 -0.32 121.76 125.35 1xxn s ALA 18 Ca 0.06 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 1xxn s ALA 18 Cb -0.25 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 1xxn s ALA 18 CO -0.01 0.30 -0.08 0.08 0.00 0.00 0.00 175.76 176.05 1xxn s VAL 19 N -0.00 3.21 -0.89 0.00 1.01 0.15 -4.99 120.40 118.89 1xxn s VAL 19 Ca 0.06 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 1xxn s VAL 19 Cb -0.12 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 33.89 1xxn s VAL 19 CO 0.01 0.46 1.31 0.21 0.00 0.00 0.00 175.10 177.09 1xxn s ASN 20 N 1.14 6.39 0.42 3.32 3.84 -1.26 -2.33 114.94 126.45 1xxn s ASN 20 Ca 0.01 -1.21 0.00 0.00 0.21 0.00 0.00 52.86 51.87 1xxn s ASN 20 Cb -0.14 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 1xxn s ASN 20 CO -0.02 -1.53 0.00 0.61 -2.79 0.00 0.00 177.10 173.37 1xxn n GLY 21 N 6.12 -0.50 3.69 1.21 0.00 -0.47 -4.97 105.19 110.27 1xxn n GLY 21 Ca 0.20 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1xxn n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xxn s SER 22 N -1.00 6.79 1.85 1.61 0.15 -1.25 -4.54 113.70 117.31 1xxn s SER 22 Ca 0.00 2.21 0.00 0.00 0.70 0.00 0.00 55.95 58.86 1xxn s SER 22 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1xxn s SER 22 CO 0.00 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.29 1xxn n GLY 23 N 3.73 3.95 0.40 9.45 0.00 -1.26 -0.41 105.19 121.05 1xxn n GLY 23 Ca 0.14 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1xxn n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxn n GLY 24 N 0.00 -0.09 3.80 -0.02 0.00 -1.26 -4.89 105.19 102.74 1xxn n GLY 24 Ca 0.00 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 1xxn n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xxn s ASN 25 N -1.59 7.14 0.18 1.61 3.84 0.45 -0.72 114.94 125.85 1xxn s ASN 25 Ca 0.31 1.55 -0.15 0.00 0.21 0.00 0.00 52.86 54.78 1xxn s ASN 25 Cb 0.16 -2.47 0.02 0.00 -0.55 0.00 0.00 41.25 38.41 1xxn s ASN 25 CO 0.25 -0.00 0.46 -0.72 -2.79 0.00 0.00 177.10 174.30 1xxn s TYR 26 N -1.56 -0.01 0.07 0.43 -0.85 0.06 -1.37 117.35 114.13 1xxn s TYR 26 Ca 0.45 -0.34 -0.06 0.00 -0.52 0.00 0.00 57.07 56.61 1xxn s TYR 26 Cb -0.17 0.28 -0.02 0.00 0.38 0.00 0.00 41.96 42.43 1xxn s TYR 26 CO 0.22 -0.85 0.11 -1.54 -1.52 0.00 0.00 175.55 171.96 1xxn s SER 27 N -2.89 0.25 -0.04 -0.18 1.04 -0.99 -0.29 113.70 110.60 1xxn s SER 27 Ca 0.10 -0.74 -0.02 0.00 0.48 0.00 0.00 55.95 55.77 1xxn s SER 27 Cb 0.00 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.43 1xxn s SER 27 CO -0.03 -0.65 0.08 -0.69 0.98 0.00 0.00 173.24 172.93 1xxn s VAL 28 N -3.68 -0.04 -0.16 5.02 1.01 0.11 -0.67 120.40 121.98 1xxn s VAL 28 Ca 0.04 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1xxn s VAL 28 Cb 0.05 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.30 1xxn s VAL 28 CO -0.10 0.05 -0.19 0.20 0.00 0.00 0.00 175.10 175.06 1xxn s ASN 29 N 0.76 3.25 0.14 3.32 0.01 0.56 -0.96 114.94 122.02 1xxn s ASN 29 Ca -0.06 -0.60 0.03 0.00 -0.71 0.00 0.00 52.86 51.52 1xxn s ASN 29 Cb -0.08 -1.49 -0.04 0.00 0.41 0.00 0.00 41.25 40.04 1xxn s ASN 29 CO -0.03 0.04 -0.07 -1.66 -1.51 0.00 0.00 177.10 173.87 1xxn s TRP 30 N 1.07 1.14 -0.23 2.20 -2.14 -0.14 -0.09 118.94 120.74 1xxn s TRP 30 Ca -0.01 -0.86 -0.14 0.00 2.66 0.00 0.00 56.10 57.76 1xxn s TRP 30 Cb -0.14 -0.62 0.07 0.00 -3.10 0.00 0.00 33.47 29.68 1xxn s TRP 30 CO -0.07 -0.04 0.58 0.45 -2.66 0.00 0.00 176.95 175.20 1xxn s SER 31 N -3.13 -0.77 -1.48 -2.66 0.15 0.40 -1.33 113.70 104.88 1xxn s SER 31 Ca 0.16 1.26 -0.09 0.00 0.70 0.00 0.00 55.95 57.98 1xxn s SER 31 Cb 0.04 1.14 0.06 0.00 -1.71 0.00 0.00 66.02 65.56 1xxn s SER 31 CO -0.01 -0.22 0.84 -3.20 1.20 0.00 0.00 173.24 171.86 1xxn n ASN 32 N 4.24 -3.30 -4.92 5.45 5.15 0.04 -1.16 115.26 120.77 1xxn n ASN 32 Ca -0.21 -0.83 -0.27 0.00 -0.60 0.00 0.00 54.58 52.67 1xxn n ASN 32 Cb 0.57 -3.76 0.08 0.00 -0.53 0.00 0.00 39.78 36.14 1xxn n ASN 32 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1xxn s THR 33 N -3.46 2.18 0.00 -0.44 -4.23 -0.03 -3.15 115.64 106.51 1xxn s THR 33 Ca 0.43 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1xxn s THR 33 Cb -0.22 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.62 1xxn s THR 33 CO 0.84 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.52 1xxn n GLY 34 N -3.08 0.65 3.60 3.99 0.00 -1.08 -2.86 105.19 106.41 1xxn n GLY 34 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1xxn n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xxn s ASN 35 N -1.00 4.68 0.04 1.61 2.47 -1.26 -0.92 114.94 120.56 1xxn s ASN 35 Ca 0.00 -0.08 -0.18 0.00 0.42 0.00 0.00 52.86 53.01 1xxn s ASN 35 Cb 0.00 -1.13 0.04 0.00 -1.45 0.00 0.00 41.25 38.70 1xxn s ASN 35 CO 0.00 0.31 0.41 0.72 -3.72 0.00 0.00 177.10 174.83 1xxn s PHE 36 N -0.93 -0.27 -0.06 0.43 -0.71 -1.00 -0.78 117.98 114.66 1xxn s PHE 36 Ca 0.15 0.23 -0.01 0.00 -1.04 0.00 0.00 56.93 56.27 1xxn s PHE 36 Cb -0.11 0.22 0.03 0.00 -1.21 0.00 0.00 43.02 41.94 1xxn s PHE 36 CO 0.05 -0.57 -0.00 0.08 -1.34 0.00 0.00 175.22 173.44 1xxn s VAL 37 N -2.45 0.36 -0.02 -2.49 1.01 0.40 -1.61 120.40 115.60 1xxn s VAL 37 Ca -0.05 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1xxn s VAL 37 Cb -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 1xxn s VAL 37 CO -0.02 0.24 -0.13 -0.69 0.00 0.00 0.00 175.10 174.49 1xxn s VAL 38 N 1.66 1.08 0.02 2.92 1.01 0.30 -1.09 120.40 126.30 1xxn s VAL 38 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 1xxn s VAL 38 Cb -0.13 -0.92 0.11 0.00 0.00 0.00 0.00 36.38 35.44 1xxn s VAL 38 CO -0.04 0.31 1.23 -0.83 0.00 0.00 0.00 175.10 175.78 1xxn s GLY 39 N -0.11 -0.31 0.10 4.51 0.00 0.61 -0.21 107.32 111.90 1xxn s GLY 39 Ca 0.01 0.44 0.08 0.00 0.00 0.00 0.00 44.72 45.25 1xxn s GLY 39 CO 0.00 1.20 -0.14 0.54 0.00 0.00 0.00 173.10 174.71 1xxn s LYS 40 N -2.44 2.00 0.00 2.90 1.02 -1.18 -0.18 119.74 121.86 1xxn s LYS 40 Ca 0.17 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 55.09 1xxn s LYS 40 Cb 0.03 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1xxn s LYS 40 CO -0.02 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.33 1xxn n GLY 41 N 0.88 -0.62 3.06 -3.33 0.00 -0.71 -0.54 105.19 103.93 1xxn n GLY 41 Ca -0.15 0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1xxn n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xxn s TRP 42 N -0.66 1.03 0.48 1.61 0.51 0.32 -0.37 118.94 121.85 1xxn s TRP 42 Ca 0.00 -0.20 0.16 0.00 -2.12 0.00 0.00 56.10 53.94 1xxn s TRP 42 Cb 0.00 -0.66 1.14 0.00 -0.81 0.00 0.00 33.47 33.13 1xxn s TRP 42 CO 0.00 -0.02 2.06 1.79 -0.51 0.00 0.00 176.95 180.27 1xxn h THR 43 N 4.90 1.05 -3.34 2.01 1.35 -1.86 -0.73 112.91 116.29 1xxn h THR 43 Ca -0.32 -0.38 -0.60 0.00 -0.55 0.00 0.00 66.41 64.56 1xxn h THR 43 Cb 1.17 1.20 -0.37 0.00 -1.73 0.00 0.00 68.15 68.43 1xxn h THR 43 CO 0.49 0.11 -0.81 0.42 -0.25 0.00 0.00 175.52 175.48 1xxn s THR 44 N -4.78 1.49 0.72 6.82 -4.23 -1.26 -2.49 115.64 111.90 1xxn s THR 44 Ca -0.04 -0.83 -0.13 0.00 -1.18 0.00 0.00 61.69 59.51 1xxn s THR 44 Cb 0.16 -1.55 0.03 0.00 1.34 0.00 0.00 72.50 72.48 1xxn s THR 44 CO 0.68 0.22 1.10 -0.83 -0.54 0.00 0.00 174.62 175.26 1xxn s GLY 45 N 1.48 1.94 0.01 3.99 0.00 0.13 -4.82 107.32 110.05 1xxn s GLY 45 Ca 0.01 0.43 0.03 0.00 0.00 0.00 0.00 44.72 45.19 1xxn s GLY 45 CO -0.09 0.78 -0.09 -0.45 0.00 0.00 0.00 173.10 173.25 1xxn s SER 46 N -2.93 1.10 0.00 1.64 0.15 -1.26 -4.81 113.70 107.59 1xxn s SER 46 Ca 0.65 -0.28 0.19 0.00 0.70 0.00 0.00 55.95 57.21 1xxn s SER 46 Cb -0.19 -0.08 0.97 0.00 -1.71 0.00 0.00 66.02 65.00 1xxn s SER 46 CO 0.48 0.04 1.59 -0.81 1.20 0.00 0.00 173.24 175.74 1xxn n PRO 47 N 2.44 0.28 0.00 5.44 -0.04 -1.26 -2.95 135.00 138.91 1xxn n PRO 47 Ca -0.16 0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.47 1xxn n PRO 47 Cb 0.56 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1xxn n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xxn n PHE 48 N -1.28 0.00 -2.28 0.54 3.72 -1.26 -2.94 117.46 113.96 1xxn n PHE 48 Ca 0.09 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.10 1xxn n PHE 48 Cb 0.15 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 1xxn n PHE 48 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1xxn s ARG 49 N -1.71 4.21 -0.33 -1.08 3.52 -1.15 -4.77 118.95 117.64 1xxn s ARG 49 Ca 0.11 1.91 -0.07 0.00 -0.13 0.00 0.00 55.73 57.55 1xxn s ARG 49 Cb 0.11 -2.84 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 1xxn s ARG 49 CO 0.35 -0.21 0.11 0.99 -0.81 0.00 0.00 175.30 175.74 1xxn s THR 50 N -1.32 4.01 -0.08 4.11 2.01 -1.26 -3.12 115.64 119.99 1xxn s THR 50 Ca 0.53 -0.89 -0.15 0.00 0.31 0.00 0.00 61.69 61.50 1xxn s THR 50 Cb -0.33 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1xxn s THR 50 CO 0.42 -0.07 0.38 -0.63 -0.69 0.00 0.00 174.62 174.02 1xxn s ILE 51 N 1.47 5.16 -0.05 1.82 1.09 -0.17 -4.94 121.20 125.59 1xxn s ILE 51 Ca 0.01 0.76 0.05 0.00 -1.10 0.00 0.00 60.65 60.36 1xxn s ILE 51 Cb -0.18 -3.70 -0.02 0.00 -1.06 0.00 0.00 42.46 37.50 1xxn s ILE 51 CO 0.03 0.47 -0.20 0.20 -0.10 0.00 0.00 174.94 175.35 1xxn s ASN 52 N -0.29 3.56 0.16 3.58 0.01 -0.11 -0.17 114.94 121.67 1xxn s ASN 52 Ca 0.22 -0.36 -0.13 0.00 -0.71 0.00 0.00 52.86 51.89 1xxn s ASN 52 Cb -0.15 -0.82 0.01 0.00 0.41 0.00 0.00 41.25 40.70 1xxn s ASN 52 CO 0.10 0.29 0.36 -0.72 -1.51 0.00 0.00 177.10 175.62 1xxn s TYR 53 N -0.43 0.10 -0.14 2.20 1.13 0.34 -0.63 117.35 119.92 1xxn s TYR 53 Ca 0.05 -0.46 -0.04 0.00 -1.41 0.00 0.00 57.07 55.21 1xxn s TYR 53 Cb -0.12 0.14 0.06 0.00 -1.10 0.00 0.00 41.96 40.93 1xxn s TYR 53 CO 0.02 -0.75 0.10 1.21 -2.51 0.00 0.00 175.55 173.62 1xxn s ASN 54 N -2.90 1.81 -0.78 -0.18 3.04 0.93 0.06 114.94 116.92 1xxn s ASN 54 Ca 0.11 -0.32 -0.18 0.00 0.04 0.00 0.00 52.86 52.51 1xxn s ASN 54 Cb 0.02 -0.10 0.14 0.00 -1.54 0.00 0.00 41.25 39.77 1xxn s ASN 54 CO -0.04 -0.31 0.89 0.00 -3.04 0.00 0.00 177.10 174.59 1xxn s ALA 55 N 2.18 3.55 0.32 1.71 0.00 -1.26 0.05 121.76 128.31 1xxn s ALA 55 Ca 0.03 -2.68 0.14 0.00 0.00 0.00 0.00 51.96 49.45 1xxn s ALA 55 Cb -0.15 -3.74 0.65 0.00 0.00 0.00 0.00 23.12 19.88 1xxn s ALA 55 CO -0.08 -2.59 1.77 0.78 0.00 0.00 0.00 175.76 175.64 1xxn h GLY 56 N 9.67 0.00 -6.86 0.00 0.00 -0.85 -1.53 103.07 103.50 1xxn h GLY 56 Ca -0.03 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.78 1xxn h GLY 56 CO 1.02 0.00 -0.79 0.14 0.00 0.00 0.00 176.54 176.91 1xxn s VAL 57 N -3.95 0.92 -0.39 4.60 1.01 -0.46 -4.81 120.40 117.31 1xxn s VAL 57 Ca -0.02 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1xxn s VAL 57 Cb 0.13 -1.03 0.12 0.00 0.00 0.00 0.00 36.38 35.60 1xxn s VAL 57 CO 0.72 0.25 0.16 0.86 0.00 0.00 0.00 175.10 177.10 1xxn s TRP 58 N 1.74 2.44 -0.44 5.22 -0.11 -1.26 -0.32 118.94 126.21 1xxn s TRP 58 Ca 0.03 -2.45 0.09 0.00 1.22 0.00 0.00 56.10 55.00 1xxn s TRP 58 Cb -0.13 -2.19 0.33 0.00 -1.50 0.00 0.00 33.47 29.98 1xxn s TRP 58 CO -0.08 -0.84 0.76 0.00 -4.62 0.00 0.00 176.95 172.18 1xxn n ALA 59 N 4.01 2.85 -1.77 5.86 0.00 0.53 -5.03 120.51 126.96 1xxn n ALA 59 Ca 0.04 -3.81 -0.41 0.00 0.00 0.00 0.00 53.44 49.27 1xxn n ALA 59 Cb 0.38 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 1xxn n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xxn s PRO 60 N -2.56 4.35 -0.96 0.00 0.04 -1.25 -0.94 135.00 133.68 1xxn s PRO 60 Ca 0.42 2.19 -0.04 0.00 0.04 0.00 0.00 61.00 63.61 1xxn s PRO 60 Cb 0.30 -3.06 0.24 0.00 0.04 0.00 0.00 34.50 32.02 1xxn s PRO 60 CO -0.10 -0.18 0.88 -0.80 0.04 0.00 0.00 177.00 176.85 1xxn s ASN 61 N -0.52 6.38 0.00 6.66 0.01 0.36 -4.90 114.94 122.93 1xxn s ASN 61 Ca 0.49 -3.70 0.00 0.00 -0.71 0.00 0.00 52.86 48.94 1xxn s ASN 61 Cb -0.39 -1.99 0.00 0.00 0.41 0.00 0.00 41.25 39.28 1xxn s ASN 61 CO 0.52 -0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.51 1xxn n GLY 62 N 2.41 0.24 3.54 0.66 0.00 -1.26 -2.47 105.19 108.31 1xxn n GLY 62 Ca 0.22 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 1xxn n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xxn s ASN 63 N -4.00 6.40 0.07 1.61 3.04 -1.26 -1.44 114.94 119.36 1xxn s ASN 63 Ca 0.00 -0.18 -0.08 0.00 0.04 0.00 0.00 52.86 52.64 1xxn s ASN 63 Cb 0.00 -2.43 -0.00 0.00 -1.54 0.00 0.00 41.25 37.28 1xxn s ASN 63 CO 0.00 -1.11 0.17 -0.83 -3.04 0.00 0.00 177.10 172.29 1xxn s GLY 64 N 2.54 0.11 -0.03 1.21 0.00 -1.26 -1.37 107.32 108.53 1xxn s GLY 64 Ca 0.32 -0.60 0.07 0.00 0.00 0.00 0.00 44.72 44.52 1xxn s GLY 64 CO 0.22 -0.77 -0.25 -0.19 0.00 0.00 0.00 173.10 172.11 1xxn s TYR 65 N -3.56 2.26 -0.45 1.90 2.02 0.22 -0.78 117.35 118.96 1xxn s TYR 65 Ca 0.03 -0.51 -0.14 0.00 -0.37 0.00 0.00 57.07 56.08 1xxn s TYR 65 Cb 0.04 -1.46 0.06 0.00 -0.40 0.00 0.00 41.96 40.19 1xxn s TYR 65 CO -0.09 -0.09 0.35 -1.17 -1.57 0.00 0.00 175.55 172.97 1xxn s LEU 66 N -0.44 5.41 -0.13 -1.29 2.96 0.10 -1.06 118.68 124.24 1xxn s LEU 66 Ca 0.05 -1.26 -0.14 0.00 -0.22 0.00 0.00 54.13 52.56 1xxn s LEU 66 Cb -0.11 -2.14 0.04 0.00 0.50 0.00 0.00 46.19 44.48 1xxn s LEU 66 CO 0.00 -0.58 0.37 0.28 -1.32 0.00 0.00 176.35 175.11 1xxn s THR 67 N 1.61 0.01 0.44 3.68 -1.32 -0.18 -0.39 115.64 119.49 1xxn s THR 67 Ca 0.04 -0.06 -0.24 0.00 -1.21 0.00 0.00 61.69 60.22 1xxn s THR 67 Cb -0.23 -0.55 -0.08 0.00 -1.51 0.00 0.00 72.50 70.14 1xxn s THR 67 CO 0.06 -0.03 1.24 -0.22 -2.21 0.00 0.00 174.62 173.46 1xxn s LEU 68 N -0.01 4.09 -0.13 9.08 2.96 0.93 0.38 118.68 135.99 1xxn s LEU 68 Ca -0.02 2.50 -0.08 0.00 -0.22 0.00 0.00 54.13 56.31 1xxn s LEU 68 Cb -0.03 -4.09 0.04 0.00 0.50 0.00 0.00 46.19 42.61 1xxn s LEU 68 CO 0.01 -0.95 0.31 -0.47 -1.32 0.00 0.00 176.35 173.93 1xxn s TYR 69 N -1.39 -0.41 0.11 5.38 5.04 0.11 -1.43 117.35 124.77 1xxn s TYR 69 Ca 0.61 0.93 -0.14 0.00 -2.44 0.00 0.00 57.07 56.04 1xxn s TYR 69 Cb -0.34 0.13 0.05 0.00 0.35 0.00 0.00 41.96 42.15 1xxn s TYR 69 CO 0.42 -0.24 0.65 0.41 -1.34 0.00 0.00 175.55 175.45 1xxn n GLY 70 N 3.82 0.85 3.12 8.97 0.00 -0.73 -0.20 105.19 121.02 1xxn n GLY 70 Ca -0.21 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 1xxn n GLY 70 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xxn s TRP 71 N -3.55 0.84 0.27 1.61 0.52 -1.07 -0.31 118.94 117.26 1xxn s TRP 71 Ca 0.14 -0.62 0.06 0.00 0.02 0.00 0.00 56.10 55.71 1xxn s TRP 71 Cb -0.02 -0.49 -0.06 0.00 -1.15 0.00 0.00 33.47 31.76 1xxn s TRP 71 CO 0.03 -0.07 -0.05 0.95 0.02 0.00 0.00 176.95 177.84 1xxn s THR 72 N -2.06 1.49 0.23 2.01 -4.23 -0.21 -1.20 115.64 111.68 1xxn s THR 72 Ca -0.02 -2.10 0.11 0.00 -1.18 0.00 0.00 61.69 58.50 1xxn s THR 72 Cb -0.05 -2.41 -0.05 0.00 1.34 0.00 0.00 72.50 71.33 1xxn s THR 72 CO -0.01 -0.31 -0.19 -0.13 -0.54 0.00 0.00 174.62 173.44 1xxn s ARG 73 N -3.76 1.70 -1.05 3.99 0.52 0.65 -1.39 118.95 119.60 1xxn s ARG 73 Ca 0.29 -1.58 -0.07 0.00 -0.52 0.00 0.00 55.73 53.86 1xxn s ARG 73 Cb 0.04 -1.88 -0.07 0.00 0.52 0.00 0.00 34.95 33.56 1xxn s ARG 73 CO 0.11 0.38 0.92 0.43 0.02 0.00 0.00 175.30 177.15 1xxn n SER 74 N -0.18 -6.57 -4.94 0.23 7.64 -1.26 -2.05 113.62 106.50 1xxn n SER 74 Ca -0.09 -0.72 -0.25 0.00 1.01 0.00 0.00 58.87 58.82 1xxn n SER 74 Cb 0.58 -5.14 0.06 0.00 -1.01 0.00 0.00 64.21 58.70 1xxn n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1xxn s PRO 75 N -4.47 2.27 -0.41 1.43 0.04 -1.26 -2.17 135.00 130.43 1xxn s PRO 75 Ca 0.46 -0.33 -0.29 0.00 0.04 0.00 0.00 61.00 60.88 1xxn s PRO 75 Cb -0.06 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.27 1xxn s PRO 75 CO 0.75 -1.14 1.25 -1.17 0.04 0.00 0.00 177.00 176.72 1xxn s LEU 76 N -5.16 3.68 -0.03 -3.56 2.96 -1.25 -3.79 118.68 111.52 1xxn s LEU 76 Ca 0.59 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 55.27 1xxn s LEU 76 Cb -0.11 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.05 1xxn s LEU 76 CO 0.44 -1.25 -0.05 -0.63 -1.32 0.00 0.00 176.35 173.53 1xxn s ILE 77 N 4.69 0.54 -0.19 6.68 1.01 -0.49 -3.56 121.20 129.89 1xxn s ILE 77 Ca 0.53 -0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.92 1xxn s ILE 77 Cb -0.11 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 1xxn s ILE 77 CO 0.29 0.20 0.07 -0.70 0.00 0.00 0.00 174.94 174.80 1xxn s GLU 78 N 0.53 3.95 0.14 2.79 2.12 -0.85 -1.05 118.70 126.34 1xxn s GLU 78 Ca -0.07 -0.35 0.05 0.00 0.36 0.00 0.00 54.97 54.96 1xxn s GLU 78 Cb -0.11 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 1xxn s GLU 78 CO 0.00 0.22 -0.11 1.52 -0.54 0.00 0.00 175.26 176.35 1xxn s TYR 79 N 0.52 1.32 0.00 5.30 -0.85 0.58 -1.43 117.35 122.79 1xxn s TYR 79 Ca 0.03 -0.68 0.01 0.00 -0.52 0.00 0.00 57.07 55.91 1xxn s TYR 79 Cb -0.13 -0.67 -0.00 0.00 0.38 0.00 0.00 41.96 41.54 1xxn s TYR 79 CO 0.01 0.12 -0.03 0.71 -1.52 0.00 0.00 175.55 174.83 1xxn s TYR 80 N -2.91 0.29 -0.33 -3.49 1.51 0.77 -1.78 117.35 111.40 1xxn s TYR 80 Ca 0.14 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.11 1xxn s TYR 80 Cb -0.00 -0.18 0.10 0.00 -0.11 0.00 0.00 41.96 41.76 1xxn s TYR 80 CO 0.02 -0.02 0.06 0.08 -1.11 0.00 0.00 175.55 174.58 1xxn s VAL 81 N -0.26 1.83 -0.32 0.71 1.01 -0.52 -1.03 120.40 121.82 1xxn s VAL 81 Ca -0.01 -2.04 -0.20 0.00 0.00 0.00 0.00 61.98 59.73 1xxn s VAL 81 Cb -0.02 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1xxn s VAL 81 CO -0.00 -0.62 0.62 -0.69 0.00 0.00 0.00 175.10 174.41 1xxn s VAL 82 N 1.13 4.93 -0.15 2.92 1.01 0.20 -0.05 120.40 130.39 1xxn s VAL 82 Ca 0.10 0.74 0.08 0.00 0.00 0.00 0.00 61.98 62.91 1xxn s VAL 82 Cb -0.18 -4.02 -0.23 0.00 0.00 0.00 0.00 36.38 31.94 1xxn s VAL 82 CO -0.14 -0.20 0.26 0.47 0.00 0.00 0.00 175.10 175.49 1xxn n ASP 83 N 5.93 1.08 -3.89 3.32 8.00 0.48 -0.81 116.55 130.65 1xxn n ASP 83 Ca -0.01 0.15 -0.11 0.00 0.71 0.00 0.00 54.79 55.53 1xxn n ASP 83 Cb 0.49 0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.55 1xxn n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1xxn s SER 84 N -6.19 0.14 0.19 -2.24 0.15 -0.99 -0.02 113.70 104.74 1xxn s SER 84 Ca -0.16 -1.13 -0.08 0.00 0.70 0.00 0.00 55.95 55.29 1xxn s SER 84 Cb 0.07 0.56 0.03 0.00 -1.71 0.00 0.00 66.02 64.98 1xxn s SER 84 CO 0.77 -1.12 0.40 -2.67 1.20 0.00 0.00 173.24 171.83 1xxn n TRP 85 N -0.39 -1.66 0.00 3.44 2.14 -1.26 0.03 117.44 119.74 1xxn n TRP 85 Ca -0.00 -0.92 0.00 0.00 2.07 0.00 0.00 57.50 58.65 1xxn n TRP 85 Cb 0.63 0.46 0.00 0.00 -0.81 0.00 0.00 31.31 31.59 1xxn n TRP 85 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1xxn n GLY 86 N -0.27 0.40 0.02 -1.67 0.00 0.04 -4.89 105.19 98.81 1xxn n GLY 86 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1xxn n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xxn n THR 87 N 0.00 0.00 -3.87 2.61 -2.24 -0.52 -4.80 114.28 105.46 1xxn n THR 87 Ca 0.00 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 1xxn n THR 87 Cb 0.00 -0.10 -0.17 0.00 -2.10 0.00 0.00 70.33 67.96 1xxn n THR 87 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1xxn s TYR 88 N -2.92 0.57 -0.27 4.78 5.04 -1.26 -4.99 117.35 118.30 1xxn s TYR 88 Ca 0.15 -0.11 -0.17 0.00 -2.44 0.00 0.00 57.07 54.50 1xxn s TYR 88 Cb 0.18 -0.67 -0.03 0.00 0.35 0.00 0.00 41.96 41.79 1xxn s TYR 88 CO 0.60 -0.25 0.46 0.50 -1.34 0.00 0.00 175.55 175.52 1xxn s ARG 89 N 1.59 4.04 0.37 4.97 3.52 -1.26 -4.80 118.95 127.38 1xxn s ARG 89 Ca -0.01 0.21 -0.25 0.00 -0.13 0.00 0.00 55.73 55.55 1xxn s ARG 89 Cb -0.13 -3.66 -0.09 0.00 -1.56 0.00 0.00 34.95 29.51 1xxn s ARG 89 CO -0.03 -0.33 1.06 -1.25 -0.81 0.00 0.00 175.30 173.94 1xxn s PRO 90 N 2.23 4.28 0.27 5.12 0.04 -1.26 -5.04 135.00 140.64 1xxn s PRO 90 Ca 0.19 1.59 -0.04 0.00 0.04 0.00 0.00 61.00 62.78 1xxn s PRO 90 Cb -0.16 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 1xxn s PRO 90 CO 0.09 -0.05 0.36 0.95 0.04 0.00 0.00 177.00 178.39 1xxn s THR 91 N -1.52 0.00 0.00 1.26 -4.23 -1.26 -4.91 115.64 104.98 1xxn s THR 91 Ca 0.54 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1xxn s THR 91 Cb -0.25 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1xxn s THR 91 CO 0.31 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 1xxn n GLY 92 N -0.42 3.77 3.64 3.99 0.00 -1.26 -4.95 105.19 109.95 1xxn n GLY 92 Ca 0.01 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1xxn n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xxn s THR 93 N 0.04 4.31 0.17 2.61 2.01 0.22 -4.83 115.64 120.17 1xxn s THR 93 Ca 0.00 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.20 1xxn s THR 93 Cb 0.00 -4.27 -0.08 0.00 0.01 0.00 0.00 72.50 68.16 1xxn s THR 93 CO 0.00 -0.47 1.27 -0.47 -0.69 0.00 0.00 174.62 174.26 1xxn s TYR 94 N 3.99 3.33 -0.10 4.92 5.04 -1.26 -1.90 117.35 131.37 1xxn s TYR 94 Ca 0.51 1.26 0.05 0.00 -2.44 0.00 0.00 57.07 56.46 1xxn s TYR 94 Cb -0.15 -3.54 -0.10 0.00 0.35 0.00 0.00 41.96 38.53 1xxn s TYR 94 CO 0.19 -1.66 -0.02 1.63 -1.34 0.00 0.00 175.55 174.35 1xxn n LYS 95 N 2.89 1.62 -3.80 4.97 4.76 0.16 -4.97 118.16 123.79 1xxn n LYS 95 Ca 0.06 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1xxn n LYS 95 Cb 0.44 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 1xxn n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xxn n GLY 96 N 2.63 -0.72 3.40 0.72 0.00 -1.24 -4.98 105.19 105.00 1xxn n GLY 96 Ca -0.17 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.45 1xxn n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xxn s THR 97 N -2.98 1.86 -0.02 2.61 -4.23 -1.26 0.25 115.64 111.87 1xxn s THR 97 Ca 0.00 -2.22 0.01 0.00 -1.18 0.00 0.00 61.69 58.30 1xxn s THR 97 Cb 0.00 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.62 1xxn s THR 97 CO 0.00 -0.46 -0.05 0.54 -0.54 0.00 0.00 174.62 174.11 1xxn s VAL 98 N -2.89 0.47 -0.12 2.29 0.11 0.27 -4.91 120.40 115.62 1xxn s VAL 98 Ca 0.26 -0.16 -0.16 0.00 -2.93 0.00 0.00 61.98 58.98 1xxn s VAL 98 Cb -0.00 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 1xxn s VAL 98 CO 0.10 0.17 0.41 -0.54 -3.33 0.00 0.00 175.10 171.92 1xxn s LYS 99 N 0.42 4.27 -0.27 1.54 1.02 -1.26 -1.04 119.74 124.42 1xxn s LYS 99 Ca -0.05 0.33 -0.20 0.00 0.02 0.00 0.00 55.97 56.07 1xxn s LYS 99 Cb -0.09 -3.41 0.07 0.00 -0.52 0.00 0.00 37.83 33.88 1xxn s LYS 99 CO -0.00 0.24 0.69 0.45 -0.92 0.00 0.00 175.35 175.81 1xxn s SER 100 N 0.40 -0.83 -1.40 2.83 0.15 -0.18 -4.97 113.70 109.71 1xxn s SER 100 Ca 0.23 1.46 -0.06 0.00 0.70 0.00 0.00 55.95 58.28 1xxn s SER 100 Cb -0.15 1.41 0.03 0.00 -1.71 0.00 0.00 66.02 65.60 1xxn s SER 100 CO 0.08 -0.24 0.83 0.47 1.20 0.00 0.00 173.24 175.58 1xxn n ASP 101 N 3.45 -2.78 -0.48 5.45 8.00 -1.26 -1.28 116.55 127.65 1xxn n ASP 101 Ca -0.17 -0.79 -0.06 0.00 0.71 0.00 0.00 54.79 54.48 1xxn n ASP 101 Cb 0.57 -4.03 -0.03 0.00 -0.02 0.00 0.00 41.12 37.61 1xxn n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xxn n GLY 102 N -1.64 0.74 3.36 0.44 0.00 -1.26 -4.94 105.19 101.89 1xxn n GLY 102 Ca -0.16 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 1xxn n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xxn s GLY 103 N -2.38 1.49 -0.17 -0.02 0.00 -0.41 -5.12 107.32 100.72 1xxn s GLY 103 Ca 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 44.72 43.16 1xxn s GLY 103 CO 0.00 -1.53 0.03 -1.59 0.00 0.00 0.00 173.10 170.01 1xxn s THR 104 N -1.71 4.50 -0.09 0.90 2.01 -1.26 -1.01 115.64 118.97 1xxn s THR 104 Ca 0.16 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.05 1xxn s THR 104 Cb -0.07 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 1xxn s THR 104 CO 0.07 0.48 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.97 1xxn s TYR 105 N 0.27 2.61 0.40 4.92 1.51 -0.21 -0.18 117.35 126.66 1xxn s TYR 105 Ca 0.02 -0.80 -0.24 0.00 -1.01 0.00 0.00 57.07 55.04 1xxn s TYR 105 Cb -0.13 -1.71 -0.09 0.00 -0.11 0.00 0.00 41.96 39.92 1xxn s TYR 105 CO 0.01 -0.27 1.06 -0.51 -1.11 0.00 0.00 175.55 174.73 1xxn s ASP 106 N 0.14 6.75 -0.18 2.29 1.01 0.19 -0.57 116.67 126.30 1xxn s ASP 106 Ca -0.11 2.07 -0.05 0.00 0.71 0.00 0.00 52.55 55.17 1xxn s ASP 106 Cb -0.16 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 1xxn s ASP 106 CO 0.06 -0.50 0.00 -0.63 0.21 0.00 0.00 175.17 174.32 1xxn s ILE 107 N -1.62 4.11 0.10 0.77 1.01 0.14 -0.37 121.20 125.35 1xxn s ILE 107 Ca 0.57 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.99 1xxn s ILE 107 Cb -0.23 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1xxn s ILE 107 CO 0.29 0.45 -0.11 -0.31 0.00 0.00 0.00 174.94 175.27 1xxn s TYR 108 N 0.68 1.10 0.08 3.97 2.02 0.57 0.37 117.35 126.13 1xxn s TYR 108 Ca -0.00 -0.64 0.09 0.00 -0.37 0.00 0.00 57.07 56.15 1xxn s TYR 108 Cb -0.14 -0.60 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 1xxn s TYR 108 CO 0.02 0.02 -0.24 0.95 -1.57 0.00 0.00 175.55 174.73 1xxn s THR 109 N -2.39 2.36 0.29 -0.71 -4.23 -0.80 -0.41 115.64 109.75 1xxn s THR 109 Ca 0.06 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 1xxn s THR 109 Cb -0.03 -1.99 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 1xxn s THR 109 CO 0.00 0.24 0.11 0.42 -0.54 0.00 0.00 174.62 174.86 1xxn s THR 110 N -0.94 0.59 0.03 3.99 -4.23 -0.74 -0.61 115.64 113.72 1xxn s THR 110 Ca 0.14 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 1xxn s THR 110 Cb -0.10 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 1xxn s THR 110 CO 0.05 0.00 -0.16 -0.89 -0.54 0.00 0.00 174.62 173.08 1xxn s THR 111 N -3.63 1.25 -0.05 3.99 2.01 -1.26 -0.45 115.64 117.50 1xxn s THR 111 Ca 0.36 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1xxn s THR 111 Cb 0.07 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1xxn s THR 111 CO 0.15 0.10 -0.05 -0.13 -0.69 0.00 0.00 174.62 174.00 1xxn s ARG 112 N -1.03 2.75 0.11 4.92 1.81 0.57 -4.94 118.95 123.14 1xxn s ARG 112 Ca 0.04 -0.57 0.08 0.00 -1.72 0.00 0.00 55.73 53.56 1xxn s ARG 112 Cb -0.08 -2.62 -0.04 0.00 -0.45 0.00 0.00 34.95 31.77 1xxn s ARG 112 CO 0.01 0.65 -0.20 0.71 -0.68 0.00 0.00 175.30 175.79 1xxn s TYR 113 N -0.90 1.77 -1.58 -0.53 1.51 -1.26 -1.47 117.35 114.89 1xxn s TYR 113 Ca 0.15 -0.43 -0.10 0.00 -1.01 0.00 0.00 57.07 55.67 1xxn s TYR 113 Cb -0.11 -0.95 0.09 0.00 -0.11 0.00 0.00 41.96 40.87 1xxn s TYR 113 CO 0.04 0.22 0.57 0.09 -1.11 0.00 0.00 175.55 175.37 1xxn n ASN 114 N 0.93 -1.78 -4.10 2.29 5.03 -0.70 -4.91 115.26 112.02 1xxn n ASN 114 Ca -0.18 -1.04 -0.25 0.00 0.87 0.00 0.00 54.58 53.98 1xxn n ASN 114 Cb 0.54 -2.74 -0.16 0.00 -1.02 0.00 0.00 39.78 36.40 1xxn n ASN 114 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xxn s ALA 115 N -3.64 1.36 0.21 5.41 0.00 -0.37 -4.71 121.76 120.02 1xxn s ALA 115 Ca 0.40 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 1xxn s ALA 115 Cb -0.22 -0.47 -0.10 0.00 0.00 0.00 0.00 23.12 22.34 1xxn s ALA 115 CO 0.92 0.24 1.45 -2.14 0.00 0.00 0.00 175.76 176.23 1xxn s PRO 116 N 0.11 4.27 0.55 0.00 0.02 -1.26 -0.01 135.00 138.68 1xxn s PRO 116 Ca -0.04 2.27 0.03 0.00 0.02 0.00 0.00 61.00 63.27 1xxn s PRO 116 Cb -0.11 -3.14 0.10 0.00 0.02 0.00 0.00 34.50 31.37 1xxn s PRO 116 CO 0.02 -0.45 0.75 -1.13 -0.33 0.00 0.00 177.00 175.87 1xxn n SER 117 N 2.88 1.30 -0.31 2.53 3.41 0.02 -4.91 113.62 118.56 1xxn n SER 117 Ca 0.09 -2.03 0.15 0.00 -0.26 0.00 0.00 58.87 56.82 1xxn n SER 117 Cb 0.40 -0.46 0.40 0.00 -0.26 0.00 0.00 64.21 64.29 1xxn n SER 117 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1xxn h ILE 118 N -0.34 0.71 -0.23 -1.33 3.07 -1.95 -2.02 117.51 115.41 1xxn h ILE 118 Ca -0.25 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 65.94 1xxn h ILE 118 Cb 1.00 0.02 0.00 0.00 -0.27 0.00 0.00 36.82 37.57 1xxn h ILE 118 CO 0.30 0.11 0.00 0.47 -1.05 0.00 0.00 178.15 177.98 1xxn n ASP 119 N -4.64 1.83 0.00 2.16 8.00 -1.26 -4.90 116.55 117.74 1xxn n ASP 119 Ca 0.21 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.92 1xxn n ASP 119 Cb 0.62 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1xxn n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xxn n GLY 120 N 1.14 3.19 3.74 0.44 0.00 -0.76 -5.03 105.19 107.91 1xxn n GLY 120 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1xxn n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xxn s ASP 121 N -0.60 6.65 -0.33 1.61 1.11 -1.26 -4.56 116.67 119.29 1xxn s ASP 121 Ca 0.00 2.63 -0.28 0.00 0.18 0.00 0.00 52.55 55.08 1xxn s ASP 121 Cb 0.00 -2.61 0.02 0.00 1.07 0.00 0.00 42.92 41.39 1xxn s ASP 121 CO 0.00 -0.72 1.02 -0.13 1.18 0.00 0.00 175.17 176.52 1xxn s ARG 122 N 0.08 4.01 0.00 8.23 0.52 -1.26 -0.80 118.95 129.73 1xxn s ARG 122 Ca 0.62 0.92 0.00 0.00 -0.52 0.00 0.00 55.73 56.75 1xxn s ARG 122 Cb -0.42 -3.75 0.00 0.00 0.52 0.00 0.00 34.95 31.30 1xxn s ARG 122 CO 0.39 -0.90 0.00 -2.37 0.02 0.00 0.00 175.30 172.44 1xxn n THR 123 N 5.89 0.00 -5.07 0.02 5.66 0.99 -4.67 114.28 117.09 1xxn n THR 123 Ca 0.10 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.79 1xxn n THR 123 Cb 0.47 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.11 1xxn n THR 123 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1xxn s THR 124 N -2.63 2.51 0.14 1.09 2.01 -1.26 -1.24 115.64 116.26 1xxn s THR 124 Ca 0.00 -0.98 -0.24 0.00 0.31 0.00 0.00 61.69 60.78 1xxn s THR 124 Cb 0.00 -1.94 0.07 0.00 0.01 0.00 0.00 72.50 70.64 1xxn s THR 124 CO 0.00 0.55 0.65 0.72 -0.69 0.00 0.00 174.62 175.85 1xxn s PHE 125 N -0.69 -0.50 0.15 4.92 -0.71 -0.54 -4.98 117.98 115.63 1xxn s PHE 125 Ca 0.11 0.29 -0.07 0.00 -1.04 0.00 0.00 56.93 56.22 1xxn s PHE 125 Cb -0.10 0.56 -0.06 0.00 -1.21 0.00 0.00 43.02 42.21 1xxn s PHE 125 CO 0.00 -0.82 0.43 0.99 -1.34 0.00 0.00 175.22 174.48 1xxn s THR 126 N -3.67 5.08 -0.04 -4.49 2.01 -1.23 -0.31 115.64 112.98 1xxn s THR 126 Ca 0.02 0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.32 1xxn s THR 126 Cb -0.01 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1xxn s THR 126 CO -0.12 0.08 -0.14 -1.10 -0.69 0.00 0.00 174.62 172.65 1xxn s GLN 127 N -2.50 2.50 -0.10 4.92 -0.21 0.40 -2.00 119.66 122.67 1xxn s GLN 127 Ca 0.41 -0.70 -0.01 0.00 0.02 0.00 0.00 55.36 55.08 1xxn s GLN 127 Cb -0.12 -2.39 -0.03 0.00 1.00 0.00 0.00 33.01 31.47 1xxn s GLN 127 CO 0.22 0.62 -0.05 0.71 -2.12 0.00 0.00 175.29 174.67 1xxn s TYR 128 N -0.76 2.98 -0.04 0.91 2.02 -0.51 -1.79 117.35 120.15 1xxn s TYR 128 Ca 0.12 -0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.77 1xxn s TYR 128 Cb -0.11 -1.79 0.01 0.00 -0.40 0.00 0.00 41.96 39.67 1xxn s TYR 128 CO 0.01 0.22 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.54 1xxn s TRP 129 N -0.44 1.07 -0.18 2.71 0.52 0.45 -0.17 118.94 122.90 1xxn s TRP 129 Ca 0.07 -0.30 -0.04 0.00 0.02 0.00 0.00 56.10 55.84 1xxn s TRP 129 Cb -0.12 -0.78 -0.02 0.00 -1.15 0.00 0.00 33.47 31.39 1xxn s TRP 129 CO 0.02 -0.15 -0.02 -1.12 0.02 0.00 0.00 176.95 175.70 1xxn s SER 130 N 0.38 4.78 -0.14 2.95 0.01 -0.20 -0.32 113.70 121.15 1xxn s SER 130 Ca -0.07 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.02 1xxn s SER 130 Cb -0.11 -1.80 0.02 0.00 0.21 0.00 0.00 66.02 64.34 1xxn s SER 130 CO 0.01 0.10 -0.16 -0.69 0.41 0.00 0.00 173.24 172.91 1xxn s VAL 131 N 0.78 1.66 0.50 3.43 1.01 0.50 0.59 120.40 128.87 1xxn s VAL 131 Ca -0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 1xxn s VAL 131 Cb -0.14 -1.53 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 1xxn s VAL 131 CO 0.02 0.47 1.37 -1.14 0.00 0.00 0.00 175.10 175.83 1xxn n ARG 132 N 4.53 1.93 0.04 2.72 0.63 0.01 -0.64 116.66 125.88 1xxn n ARG 132 Ca -0.18 0.70 -0.07 0.00 -0.92 0.00 0.00 57.85 57.37 1xxn n ARG 132 Cb 0.50 -2.57 0.09 0.00 0.45 0.00 0.00 32.46 30.93 1xxn n ARG 132 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1xxn h GLN 133 N 1.82 0.42 -5.19 -0.14 4.20 -0.92 -3.44 115.11 111.86 1xxn h GLN 133 Ca -0.50 -0.27 -0.39 0.00 0.06 0.00 0.00 58.65 57.54 1xxn h GLN 133 Cb 1.29 0.03 -0.14 0.00 0.30 0.00 0.00 27.48 28.96 1xxn h GLN 133 CO 0.59 0.87 -0.68 -1.54 -0.67 0.00 0.00 178.83 177.40 1xxn s SER 134 N -6.91 2.04 0.12 1.46 1.04 -1.26 -5.08 113.70 105.11 1xxn s SER 134 Ca -0.06 -1.15 -0.31 0.00 0.48 0.00 0.00 55.95 54.91 1xxn s SER 134 Cb 0.12 -0.04 -0.08 0.00 0.10 0.00 0.00 66.02 66.12 1xxn s SER 134 CO 0.82 -0.41 1.38 -0.54 0.98 0.00 0.00 173.24 175.47 1xxn s LYS 135 N -3.79 4.33 0.26 4.02 1.02 -1.26 -4.92 119.74 119.40 1xxn s LYS 135 Ca 0.25 2.07 -0.30 0.00 0.02 0.00 0.00 55.97 58.01 1xxn s LYS 135 Cb 0.04 -3.24 -0.10 0.00 -0.52 0.00 0.00 37.83 34.01 1xxn s LYS 135 CO 0.07 -0.42 1.43 0.50 -0.92 0.00 0.00 175.35 176.01 1xxn s ARG 136 N 0.99 4.27 0.49 1.68 3.52 0.96 -4.97 118.95 125.89 1xxn s ARG 136 Ca 0.64 2.30 -0.22 0.00 -0.13 0.00 0.00 55.73 58.32 1xxn s ARG 136 Cb -0.37 -3.10 -0.09 0.00 -1.56 0.00 0.00 34.95 29.84 1xxn s ARG 136 CO 0.31 -0.40 0.96 -2.30 -0.81 0.00 0.00 175.30 173.06 1xxn n PRO 137 N 2.12 1.15 -4.43 5.12 -0.02 -1.26 -4.78 135.00 132.90 1xxn n PRO 137 Ca 0.06 0.42 -0.23 0.00 -2.02 0.00 0.00 63.50 61.73 1xxn n PRO 137 Cb 0.40 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.72 1xxn n PRO 137 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xxn s THR 138 N -1.39 2.28 0.00 3.45 -4.23 -1.26 -4.80 115.64 109.69 1xxn s THR 138 Ca 0.67 -2.30 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1xxn s THR 138 Cb -0.50 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1xxn s THR 138 CO 0.54 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1xxn n GLY 139 N -0.42 0.65 3.52 3.99 0.00 -0.58 -4.99 105.19 107.36 1xxn n GLY 139 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1xxn n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xxn s SER 140 N -1.94 3.47 0.31 1.61 0.01 -1.26 -4.85 113.70 111.05 1xxn s SER 140 Ca 0.00 -1.21 -0.30 0.00 1.31 0.00 0.00 55.95 55.75 1xxn s SER 140 Cb 0.00 -0.30 -0.11 0.00 0.21 0.00 0.00 66.02 65.82 1xxn s SER 140 CO 0.00 -0.26 1.58 0.20 0.41 0.00 0.00 173.24 175.17 1xxn s ASN 141 N -3.57 6.36 0.02 2.44 -0.87 -1.26 -4.47 114.94 113.58 1xxn s ASN 141 Ca 0.32 2.97 0.03 0.00 -1.57 0.00 0.00 52.86 54.61 1xxn s ASN 141 Cb 0.03 -2.64 -0.01 0.00 -0.02 0.00 0.00 41.25 38.61 1xxn s ASN 141 CO 0.15 -0.91 -0.10 0.00 -2.57 0.00 0.00 177.10 173.67 1xxn s ALA 142 N -0.16 0.80 -0.06 0.60 0.00 0.11 -4.98 121.76 118.06 1xxn s ALA 142 Ca 0.62 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1xxn s ALA 142 Cb -0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1xxn s ALA 142 CO 0.50 0.14 -0.08 -0.08 0.00 0.00 0.00 175.76 176.24 1xxn s THR 143 N -0.65 3.58 -0.33 0.00 -1.32 -1.26 -0.51 115.64 115.15 1xxn s THR 143 Ca -0.00 -0.54 -0.03 0.00 -1.21 0.00 0.00 61.69 59.91 1xxn s THR 143 Cb -0.06 -2.46 0.06 0.00 -1.51 0.00 0.00 72.50 68.53 1xxn s THR 143 CO 0.00 0.59 0.05 -0.63 -2.21 0.00 0.00 174.62 172.42 1xxn s ILE 144 N -0.81 3.18 -1.24 5.08 1.01 0.76 -4.75 121.20 124.44 1xxn s ILE 144 Ca 0.12 -1.45 -0.18 0.00 0.00 0.00 0.00 60.65 59.15 1xxn s ILE 144 Cb -0.11 -2.89 0.09 0.00 0.01 0.00 0.00 42.46 39.57 1xxn s ILE 144 CO 0.02 -0.22 1.62 -0.89 0.00 0.00 0.00 174.94 175.47 1xxn s THR 145 N 1.26 4.33 0.40 2.92 2.01 -1.26 -1.00 115.64 124.30 1xxn s THR 145 Ca -0.02 -1.96 0.14 0.00 0.31 0.00 0.00 61.69 60.15 1xxn s THR 145 Cb -0.20 -5.11 0.35 0.00 0.01 0.00 0.00 72.50 67.55 1xxn s THR 145 CO -0.01 -1.91 1.90 0.15 -0.69 0.00 0.00 174.62 174.06 1xxn h PHE 146 N 7.73 0.59 -0.79 4.92 3.57 -1.86 0.34 116.94 131.45 1xxn h PHE 146 Ca 0.39 0.02 0.19 0.00 3.53 0.00 0.00 57.97 62.10 1xxn h PHE 146 Cb 0.89 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 1xxn h PHE 146 CO 1.33 0.22 0.54 0.66 -2.23 0.00 0.00 178.31 178.84 1xxn h SER 147 N 0.50 0.22 -0.64 0.41 4.64 -1.70 0.73 113.55 117.73 1xxn h SER 147 Ca 0.40 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.68 1xxn h SER 147 Cb 0.82 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 1xxn h SER 147 CO -0.15 0.10 0.17 0.78 -0.87 0.00 0.00 176.83 176.87 1xxn h ASN 148 N 0.23 0.95 -0.22 4.97 -0.26 -1.24 0.57 115.58 120.58 1xxn h ASN 148 Ca 0.39 -0.22 -0.08 0.00 -0.56 0.00 0.00 56.30 55.83 1xxn h ASN 148 Cb 1.19 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 38.20 1xxn h ASN 148 CO -0.09 0.92 -0.18 0.45 -1.06 0.00 0.00 177.43 177.47 1xxn h HIS 149 N 0.93 0.62 -0.44 1.19 3.86 -1.33 -0.81 115.15 119.17 1xxn h HIS 149 Ca 0.20 -0.17 0.05 0.00 -1.16 0.00 0.00 60.37 59.28 1xxn h HIS 149 Cb 0.33 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 1xxn h HIS 149 CO 0.02 0.84 0.19 0.28 0.86 0.00 0.00 177.93 180.13 1xxn h VAL 150 N 0.22 0.92 -0.41 2.45 2.07 -0.68 0.24 116.25 121.05 1xxn h VAL 150 Ca 0.04 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1xxn h VAL 150 Cb 0.72 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1xxn h VAL 150 CO 0.05 0.07 0.01 0.78 0.02 0.00 0.00 177.57 178.50 1xxn h ASN 151 N 0.39 0.69 -0.37 0.57 2.35 -0.80 0.39 115.58 118.80 1xxn h ASN 151 Ca 0.20 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1xxn h ASN 151 Cb 0.15 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1xxn h ASN 151 CO -0.17 0.82 0.11 0.00 -1.65 0.00 0.00 177.43 176.54 1xxn h ALA 152 N 0.90 0.49 -0.13 -0.83 0.00 -0.84 -1.64 119.26 117.20 1xxn h ALA 152 Ca 0.12 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1xxn h ALA 152 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xxn h ALA 152 CO 0.02 0.13 0.03 -1.49 0.00 0.00 0.00 179.25 177.94 1xxn h TRP 153 N 0.45 0.06 -0.73 0.00 6.55 -0.38 -2.19 115.95 119.71 1xxn h TRP 153 Ca 0.12 0.01 0.16 0.00 0.95 0.00 0.00 58.89 60.13 1xxn h TRP 153 Cb 0.26 -0.01 -0.11 0.00 -0.86 0.00 0.00 29.16 28.45 1xxn h TRP 153 CO 0.01 0.03 0.16 -0.22 -1.05 0.00 0.00 178.44 177.36 1xxn h LYS 154 N 0.09 0.24 0.00 0.49 3.64 -0.73 0.16 116.57 120.46 1xxn h LYS 154 Ca 0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1xxn h LYS 154 Cb 0.04 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1xxn h LYS 154 CO -0.07 0.16 -0.00 0.66 -2.27 0.00 0.00 179.45 177.93 1xxn h SER 155 N 0.25 0.00 -0.40 4.20 4.64 -0.67 -0.65 113.55 120.92 1xxn h SER 155 Ca 0.41 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.59 1xxn h SER 155 Cb 0.70 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.71 1xxn h SER 155 CO -0.52 0.00 0.04 1.41 -0.87 0.00 0.00 176.83 176.88 1xxn n HIS 156 N -3.20 1.29 -1.14 4.77 8.25 0.35 -4.94 115.22 120.61 1xxn n HIS 156 Ca -0.03 -1.33 -0.05 0.00 -0.26 0.00 0.00 57.72 56.05 1xxn n HIS 156 Cb 0.07 -0.48 -0.02 0.00 1.12 0.00 0.00 29.99 30.68 1xxn n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xxn n GLY 157 N -0.84 0.69 3.34 -1.41 0.00 -0.25 -4.93 105.19 101.79 1xxn n GLY 157 Ca 0.32 -0.30 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 1xxn n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xxn s MET 158 N -1.85 3.84 -0.15 1.61 -1.94 -0.05 -4.98 119.30 115.79 1xxn s MET 158 Ca 0.00 -2.72 -0.12 0.00 -1.71 0.00 0.00 55.69 51.14 1xxn s MET 158 Cb 0.00 -4.52 -0.05 0.00 2.01 0.00 0.00 34.83 32.28 1xxn s MET 158 CO 0.00 -1.31 0.26 -0.80 -0.01 0.00 0.00 175.02 173.16 1xxn s ASN 159 N 1.93 6.43 0.59 3.03 -0.87 -1.26 -2.77 114.94 122.01 1xxn s ASN 159 Ca 0.24 0.50 -0.11 0.00 -1.57 0.00 0.00 52.86 51.92 1xxn s ASN 159 Cb -0.10 -2.16 -0.04 0.00 -0.02 0.00 0.00 41.25 38.93 1xxn s ASN 159 CO -0.08 0.17 0.99 -0.76 -2.57 0.00 0.00 177.10 174.85 1xxn s LEU 160 N 0.11 3.33 0.84 0.60 1.43 -1.26 -4.78 118.68 118.94 1xxn s LEU 160 Ca 0.16 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.52 1xxn s LEU 160 Cb -0.13 -4.39 0.10 0.00 0.03 0.00 0.00 46.19 41.80 1xxn s LEU 160 CO 0.04 -0.79 1.10 -0.83 0.23 0.00 0.00 176.35 176.10 1xxn s GLY 161 N -4.04 1.67 0.02 -3.19 0.00 -1.25 -4.60 107.32 95.93 1xxn s GLY 161 Ca 0.54 0.31 0.26 0.00 0.00 0.00 0.00 44.72 45.84 1xxn s GLY 161 CO 0.50 0.70 1.62 -1.14 0.00 0.00 0.00 173.10 174.78 1xxn n SER 162 N -3.80 0.35 -4.22 1.64 3.41 -0.92 -4.62 113.62 105.46 1xxn n SER 162 Ca 0.09 0.12 -0.37 0.00 -0.26 0.00 0.00 58.87 58.45 1xxn n SER 162 Cb 0.53 -0.10 -0.12 0.00 -0.26 0.00 0.00 64.21 64.26 1xxn n SER 162 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xxn s ASN 163 N -3.21 5.26 -0.21 4.04 3.04 -0.87 -5.00 114.94 117.98 1xxn s ASN 163 Ca 0.12 -1.40 -0.22 0.00 0.04 0.00 0.00 52.86 51.40 1xxn s ASN 163 Cb 0.17 -1.85 -0.02 0.00 -1.54 0.00 0.00 41.25 38.02 1xxn s ASN 163 CO 0.63 -0.39 0.69 0.26 -3.04 0.00 0.00 177.10 175.25 1xxn s TRP 164 N 1.32 3.35 0.00 0.43 0.52 -1.26 -0.26 118.94 123.05 1xxn s TRP 164 Ca 0.00 0.98 0.00 0.00 0.02 0.00 0.00 56.10 57.10 1xxn s TRP 164 Cb -0.21 -2.87 0.00 0.00 -1.15 0.00 0.00 33.47 29.24 1xxn s TRP 164 CO 0.01 -0.25 0.00 0.00 0.02 0.00 0.00 176.95 176.72 1xxn n ALA 165 N 5.36 0.00 -1.23 0.98 0.00 -0.34 -4.32 120.51 120.96 1xxn n ALA 165 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 1xxn n ALA 165 Cb 0.49 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.08 1xxn n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xxn s TYR 166 N 1.06 2.34 -0.21 0.00 -0.85 -1.04 0.21 117.35 118.86 1xxn s TYR 166 Ca 0.00 1.24 -0.04 0.00 -0.52 0.00 0.00 57.07 57.75 1xxn s TYR 166 Cb 0.00 -3.16 0.11 0.00 0.38 0.00 0.00 41.96 39.29 1xxn s TYR 166 CO 0.00 -2.37 0.33 -1.14 -1.52 0.00 0.00 175.55 170.85 1xxn s GLN 167 N -4.95 0.28 0.09 -3.49 0.74 -0.28 -2.58 119.66 109.47 1xxn s GLN 167 Ca 0.63 0.54 0.04 0.00 0.05 0.00 0.00 55.36 56.62 1xxn s GLN 167 Cb -0.18 -0.51 -0.03 0.00 1.10 0.00 0.00 33.01 33.39 1xxn s GLN 167 CO 0.57 -0.55 -0.10 0.14 -0.55 0.00 0.00 175.29 174.79 1xxn s VAL 168 N 2.48 0.90 -0.44 1.34 -7.23 0.72 -0.52 120.40 117.66 1xxn s VAL 168 Ca 0.08 -1.57 -0.21 0.00 -1.81 0.00 0.00 61.98 58.48 1xxn s VAL 168 Cb -0.15 -1.27 0.02 0.00 0.56 0.00 0.00 36.38 35.55 1xxn s VAL 168 CO -0.14 -0.52 0.64 -0.32 -0.31 0.00 0.00 175.10 174.45 1xxn s MET 169 N -2.62 3.27 0.20 4.82 1.75 0.30 0.06 119.30 127.08 1xxn s MET 169 Ca 0.03 -0.39 0.09 0.00 -1.25 0.00 0.00 55.69 54.18 1xxn s MET 169 Cb -0.04 -3.96 -0.04 0.00 2.84 0.00 0.00 34.83 33.63 1xxn s MET 169 CO 0.00 -1.02 -0.10 0.00 -0.65 0.00 0.00 175.02 173.25 1xxn s ALA 170 N 2.82 2.92 -0.24 4.11 0.00 0.16 -3.13 121.76 128.40 1xxn s ALA 170 Ca 0.22 -1.55 -0.07 0.00 0.00 0.00 0.00 51.96 50.57 1xxn s ALA 170 Cb -0.14 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1xxn s ALA 170 CO 0.19 0.42 0.06 0.99 0.00 0.00 0.00 175.76 177.42 1xxn s THR 171 N -1.85 4.25 0.02 0.00 2.01 0.70 -1.01 115.64 119.76 1xxn s THR 171 Ca 0.26 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.14 1xxn s THR 171 Cb -0.08 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 1xxn s THR 171 CO 0.15 0.35 -0.23 -0.70 -0.69 0.00 0.00 174.62 173.51 1xxn s GLU 172 N 1.52 2.03 0.07 4.92 2.12 -0.22 -0.54 118.70 128.58 1xxn s GLU 172 Ca 0.06 -0.99 0.05 0.00 0.36 0.00 0.00 54.97 54.45 1xxn s GLU 172 Cb -0.15 -2.09 -0.03 0.00 0.26 0.00 0.00 34.13 32.12 1xxn s GLU 172 CO 0.03 0.54 -0.13 0.20 -0.54 0.00 0.00 175.26 175.36 1xxn s GLY 173 N -1.08 0.81 -0.12 -1.50 0.00 -0.63 0.71 107.32 105.52 1xxn s GLY 173 Ca 0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 44.72 43.87 1xxn s GLY 173 CO 0.02 -0.99 -0.03 -0.19 0.00 0.00 0.00 173.10 171.90 1xxn s TYR 174 N -1.28 1.22 -1.27 1.90 2.02 -0.47 -2.37 117.35 117.10 1xxn s TYR 174 Ca -0.03 -0.64 -0.02 0.00 -0.37 0.00 0.00 57.07 56.00 1xxn s TYR 174 Cb -0.10 -1.09 -0.01 0.00 -0.40 0.00 0.00 41.96 40.36 1xxn s TYR 174 CO 0.02 -0.49 0.72 1.04 -1.57 0.00 0.00 175.55 175.27 1xxn n GLN 175 N 5.01 -4.41 -3.16 -0.62 1.13 -0.10 -4.15 117.38 111.07 1xxn n GLN 175 Ca -0.10 0.62 -0.09 0.00 -1.94 0.00 0.00 57.00 55.49 1xxn n GLN 175 Cb 0.49 -5.13 -0.02 0.00 0.11 0.00 0.00 30.24 25.70 1xxn n GLN 175 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1xxn n SER 176 N -3.03 -1.00 -4.24 1.08 3.41 -1.24 -4.59 113.62 104.01 1xxn n SER 176 Ca -0.27 -2.26 -0.14 0.00 -0.26 0.00 0.00 58.87 55.94 1xxn n SER 176 Cb 0.67 1.83 -0.10 0.00 -0.26 0.00 0.00 64.21 66.35 1xxn n SER 176 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xxn s SER 177 N -2.46 1.54 0.00 4.04 0.01 -1.03 -0.78 113.70 115.02 1xxn s SER 177 Ca 0.19 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1xxn s SER 177 Cb -0.01 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1xxn s SER 177 CO 0.13 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1xxn n GLY 178 N -0.20 -2.44 3.00 3.44 0.00 -0.44 0.13 105.19 108.69 1xxn n GLY 178 Ca -0.09 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.50 1xxn n GLY 178 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xxn s SER 179 N -0.87 0.80 0.03 1.61 0.01 -0.11 -0.96 113.70 114.21 1xxn s SER 179 Ca 0.00 -0.20 -0.00 0.00 1.31 0.00 0.00 55.95 57.06 1xxn s SER 179 Cb 0.00 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 1xxn s SER 179 CO 0.00 0.03 -0.04 -0.94 0.41 0.00 0.00 173.24 172.70 1xxn s SER 180 N -0.43 0.41 -0.19 2.44 1.04 -0.14 -0.35 113.70 116.48 1xxn s SER 180 Ca 0.00 -0.69 -0.04 0.00 0.48 0.00 0.00 55.95 55.71 1xxn s SER 180 Cb -0.04 0.13 0.09 0.00 0.10 0.00 0.00 66.02 66.30 1xxn s SER 180 CO -0.00 -0.40 0.24 0.21 0.98 0.00 0.00 173.24 174.27 1xxn s ASN 181 N -2.01 1.03 -0.03 7.02 3.04 0.57 -0.71 114.94 123.85 1xxn s ASN 181 Ca -0.07 0.01 0.02 0.00 0.04 0.00 0.00 52.86 52.86 1xxn s ASN 181 Cb -0.04 0.51 0.01 0.00 -1.54 0.00 0.00 41.25 40.19 1xxn s ASN 181 CO -0.04 -0.30 -0.09 -0.69 -3.04 0.00 0.00 177.10 172.94 1xxn s VAL 182 N 2.36 0.77 -0.13 -5.21 1.01 0.60 -0.11 120.40 119.69 1xxn s VAL 182 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1xxn s VAL 182 Cb -0.15 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 1xxn s VAL 182 CO -0.11 0.25 -0.10 -0.89 0.00 0.00 0.00 175.10 174.24 1xxn s THR 183 N 0.27 3.36 -0.04 3.92 2.01 0.11 -0.76 115.64 124.51 1xxn s THR 183 Ca -0.04 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.45 1xxn s THR 183 Cb -0.09 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.98 1xxn s THR 183 CO 0.01 0.52 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.57 1xxn s VAL 184 N 0.25 1.63 0.00 3.82 1.01 0.10 -0.05 120.40 127.17 1xxn s VAL 184 Ca -0.07 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1xxn s VAL 184 Cb -0.15 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1xxn s VAL 184 CO 0.04 0.46 0.00 -2.67 0.00 0.00 0.00 175.10 172.94