#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnb s SER 2 N 0.00 7.39 0.27 0.00 0.01 -1.26 -4.53 113.70 115.58 1xnb s SER 2 Ca 0.00 1.65 -0.16 0.00 1.31 0.00 0.00 55.95 58.75 1xnb s SER 2 Cb 0.00 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.63 1xnb s SER 2 CO 0.00 0.11 0.70 0.42 0.41 0.00 0.00 173.24 174.88 1xnb s THR 3 N -0.69 4.68 -0.01 1.44 -4.23 -1.26 -4.97 115.64 110.59 1xnb s THR 3 Ca 0.39 1.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.92 1xnb s THR 3 Cb -0.23 -3.70 0.03 0.00 1.34 0.00 0.00 72.50 69.94 1xnb s THR 3 CO 0.27 -0.02 0.82 -0.90 -0.54 0.00 0.00 174.62 174.25 1xnb n ASP 4 N 0.10 1.09 -3.93 3.99 5.68 0.12 -4.97 116.55 118.63 1xnb n ASP 4 Ca 0.01 -1.71 -0.17 0.00 -0.50 0.00 0.00 54.79 52.42 1xnb n ASP 4 Cb 0.52 -0.06 -0.15 0.00 -1.14 0.00 0.00 41.12 40.30 1xnb n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1xnb s TYR 5 N -0.70 0.53 -0.20 2.11 5.04 -0.65 -4.62 117.35 118.87 1xnb s TYR 5 Ca 0.03 -0.11 0.01 0.00 -2.44 0.00 0.00 57.07 54.57 1xnb s TYR 5 Cb 0.03 -0.42 0.03 0.00 0.35 0.00 0.00 41.96 41.95 1xnb s TYR 5 CO 0.00 -0.07 -0.18 -0.46 -1.34 0.00 0.00 175.55 173.51 1xnb s TRP 6 N 0.29 2.87 -0.25 4.97 -0.11 -1.26 -1.75 118.94 123.71 1xnb s TRP 6 Ca -0.03 -1.79 -0.09 0.00 1.22 0.00 0.00 56.10 55.41 1xnb s TRP 6 Cb -0.07 -1.91 -0.04 0.00 -1.50 0.00 0.00 33.47 29.95 1xnb s TRP 6 CO -0.00 -0.82 0.11 -1.14 -4.62 0.00 0.00 176.95 170.48 1xnb s GLN 7 N 1.25 3.82 -0.40 5.86 2.00 0.21 -5.00 119.66 127.41 1xnb s GLN 7 Ca 0.02 -0.39 0.04 0.00 -2.00 0.00 0.00 55.36 53.02 1xnb s GLN 7 Cb -0.15 -3.42 0.16 0.00 0.80 0.00 0.00 33.01 30.40 1xnb s GLN 7 CO -0.11 -0.09 0.40 1.21 -0.50 0.00 0.00 175.29 176.20 1xnb s ASN 8 N 1.42 1.01 -0.03 6.67 3.04 -1.25 -0.94 114.94 124.86 1xnb s ASN 8 Ca 0.06 -1.94 0.07 0.00 0.04 0.00 0.00 52.86 51.09 1xnb s ASN 8 Cb -0.15 0.46 -0.02 0.00 -1.54 0.00 0.00 41.25 40.01 1xnb s ASN 8 CO 0.05 -0.22 -0.25 0.86 -3.04 0.00 0.00 177.10 174.51 1xnb s TRP 9 N 1.06 2.28 0.01 0.43 -0.00 -0.31 -5.02 118.94 117.39 1xnb s TRP 9 Ca 0.22 -0.51 -0.03 0.00 -0.00 0.00 0.00 56.10 55.78 1xnb s TRP 9 Cb -0.10 -1.48 -0.01 0.00 -0.00 0.00 0.00 33.47 31.88 1xnb s TRP 9 CO -0.06 -0.09 0.05 -0.08 -0.00 0.00 0.00 176.95 176.77 1xnb s THR 10 N -0.46 0.08 -2.09 5.86 -1.32 -1.26 -0.81 115.64 115.65 1xnb s THR 10 Ca 0.06 -0.69 0.18 0.00 -1.21 0.00 0.00 61.69 60.03 1xnb s THR 10 Cb -0.11 -0.30 0.47 0.00 -1.51 0.00 0.00 72.50 71.05 1xnb s THR 10 CO 0.00 -0.38 1.61 -0.90 -2.21 0.00 0.00 174.62 172.75 1xnb n ASP 11 N 1.76 0.56 0.00 8.08 5.68 -0.59 -4.90 116.55 127.13 1xnb n ASP 11 Ca -0.22 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 1xnb n ASP 11 Cb 0.56 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1xnb n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xnb n GLY 12 N 0.89 0.72 3.74 6.12 0.00 -1.26 -4.98 105.19 110.41 1xnb n GLY 12 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1xnb n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xnb s GLY 13 N -2.12 3.06 0.00 -0.02 0.00 -1.26 -4.92 107.32 102.06 1xnb s GLY 13 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.34 1xnb s GLY 13 CO 0.00 1.33 0.00 0.61 0.00 0.00 0.00 173.10 175.04 1xnb n GLY 14 N 1.80 0.80 3.46 0.20 0.00 -1.21 -3.04 105.19 107.21 1xnb n GLY 14 Ca -0.00 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 1xnb n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xnb s ILE 15 N 0.00 3.77 -0.29 -0.61 -1.09 -0.47 -4.94 121.20 117.56 1xnb s ILE 15 Ca 0.00 -0.39 -0.01 0.00 -2.23 0.00 0.00 60.65 58.01 1xnb s ILE 15 Cb 0.00 -2.66 0.09 0.00 -1.58 0.00 0.00 42.46 38.31 1xnb s ILE 15 CO 0.00 0.48 0.09 -0.69 -1.23 0.00 0.00 174.94 173.58 1xnb s VAL 16 N 0.56 0.82 -0.66 2.92 1.01 -1.26 -0.91 120.40 122.88 1xnb s VAL 16 Ca -0.03 -1.26 -0.16 0.00 0.00 0.00 0.00 61.98 60.53 1xnb s VAL 16 Cb -0.14 -1.56 0.16 0.00 0.00 0.00 0.00 36.38 34.83 1xnb s VAL 16 CO 0.03 -0.60 0.62 0.21 0.00 0.00 0.00 175.10 175.36 1xnb s ASN 17 N 1.66 6.41 -0.20 3.32 3.04 0.51 -4.97 114.94 124.70 1xnb s ASN 17 Ca 0.08 -2.10 -0.09 0.00 0.04 0.00 0.00 52.86 50.79 1xnb s ASN 17 Cb -0.17 -2.22 -0.04 0.00 -1.54 0.00 0.00 41.25 37.27 1xnb s ASN 17 CO -0.23 -0.78 0.10 0.00 -3.04 0.00 0.00 177.10 173.16 1xnb s ALA 18 N 1.17 3.53 -0.17 1.71 0.00 -1.26 -1.39 121.76 125.35 1xnb s ALA 18 Ca 0.10 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 1xnb s ALA 18 Cb -0.22 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 1xnb s ALA 18 CO -0.01 0.06 -0.08 0.08 0.00 0.00 0.00 175.76 175.81 1xnb s VAL 19 N 0.57 3.26 -0.74 0.00 1.01 0.19 -4.99 120.40 119.69 1xnb s VAL 19 Ca 0.06 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 1xnb s VAL 19 Cb -0.12 -2.43 0.10 0.00 0.00 0.00 0.00 36.38 33.93 1xnb s VAL 19 CO 0.01 0.48 0.96 0.21 0.00 0.00 0.00 175.10 176.76 1xnb s ASN 20 N 0.86 6.35 0.91 3.32 3.84 -1.26 -2.08 114.94 126.88 1xnb s ASN 20 Ca -0.02 -1.49 -0.03 0.00 0.21 0.00 0.00 52.86 51.53 1xnb s ASN 20 Cb -0.15 -2.38 0.05 0.00 -0.55 0.00 0.00 41.25 38.22 1xnb s ASN 20 CO 0.01 -1.22 0.30 0.61 -2.79 0.00 0.00 177.10 174.01 1xnb n GLY 21 N 5.34 -0.89 3.78 1.21 0.00 -0.33 -5.01 105.19 109.30 1xnb n GLY 21 Ca 0.05 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 1xnb n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xnb s SER 22 N -2.12 6.05 1.56 1.61 1.04 -1.26 -4.56 113.70 116.01 1xnb s SER 22 Ca 0.18 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.72 1xnb s SER 22 Cb -0.01 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1xnb s SER 22 CO 0.12 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1xnb n GLY 23 N 0.09 3.40 1.44 7.32 0.00 -1.26 -1.43 105.19 114.75 1xnb n GLY 23 Ca 0.10 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1xnb n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnb n GLY 24 N 0.00 2.39 3.84 -0.02 0.00 -1.26 -4.85 105.19 105.29 1xnb n GLY 24 Ca 0.00 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 1xnb n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xnb s ASN 25 N -0.72 6.82 0.12 1.61 3.84 -0.52 -0.90 114.94 125.19 1xnb s ASN 25 Ca 0.41 1.01 -0.14 0.00 0.21 0.00 0.00 52.86 54.35 1xnb s ASN 25 Cb 0.29 -2.26 0.02 0.00 -0.55 0.00 0.00 41.25 38.75 1xnb s ASN 25 CO 0.16 0.22 0.34 -0.72 -2.79 0.00 0.00 177.10 174.31 1xnb s TYR 26 N -1.27 -0.09 0.04 0.43 -0.85 -0.24 -1.18 117.35 114.19 1xnb s TYR 26 Ca 0.31 -0.26 -0.03 0.00 -0.52 0.00 0.00 57.07 56.56 1xnb s TYR 26 Cb -0.16 0.16 -0.02 0.00 0.38 0.00 0.00 41.96 42.32 1xnb s TYR 26 CO 0.17 -0.66 0.03 -1.54 -1.52 0.00 0.00 175.55 172.03 1xnb s SER 27 N -2.82 0.31 -0.04 -0.18 1.04 -0.88 -1.35 113.70 109.77 1xnb s SER 27 Ca 0.04 -0.72 -0.03 0.00 0.48 0.00 0.00 55.95 55.72 1xnb s SER 27 Cb 0.03 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.36 1xnb s SER 27 CO -0.12 -0.52 0.10 -0.69 0.98 0.00 0.00 173.24 173.00 1xnb s VAL 28 N -2.98 -0.01 -0.12 5.02 1.01 -0.41 -0.64 120.40 122.27 1xnb s VAL 28 Ca -0.02 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1xnb s VAL 28 Cb 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.25 1xnb s VAL 28 CO -0.06 0.02 -0.17 0.20 0.00 0.00 0.00 175.10 175.09 1xnb s ASN 29 N 0.35 2.60 0.07 3.32 0.01 -0.48 -1.49 114.94 119.32 1xnb s ASN 29 Ca -0.03 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1xnb s ASN 29 Cb -0.04 -1.17 -0.03 0.00 0.41 0.00 0.00 41.25 40.42 1xnb s ASN 29 CO -0.01 0.02 -0.12 -1.66 -1.51 0.00 0.00 177.10 173.82 1xnb s TRP 30 N 0.99 1.08 -0.13 2.20 -2.14 -0.31 -0.36 118.94 120.27 1xnb s TRP 30 Ca -0.06 -0.50 -0.06 0.00 2.66 0.00 0.00 56.10 58.14 1xnb s TRP 30 Cb -0.15 -0.61 0.06 0.00 -3.10 0.00 0.00 33.47 29.67 1xnb s TRP 30 CO -0.02 0.02 0.30 0.45 -2.66 0.00 0.00 176.95 175.04 1xnb s SER 31 N -1.85 -0.20 -1.24 -2.66 0.15 -0.09 -1.06 113.70 106.75 1xnb s SER 31 Ca -0.02 0.65 -0.25 0.00 0.70 0.00 0.00 55.95 57.03 1xnb s SER 31 Cb -0.09 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 64.86 1xnb s SER 31 CO 0.02 -0.19 0.63 0.59 1.20 0.00 0.00 173.24 175.49 1xnb n ASN 32 N 4.54 -3.74 -4.62 5.45 3.02 -0.66 -1.37 115.26 117.88 1xnb n ASN 32 Ca -0.20 -1.20 -0.24 0.00 -0.03 0.00 0.00 54.58 52.91 1xnb n ASN 32 Cb 0.53 -2.25 0.12 0.00 -0.61 0.00 0.00 39.78 37.56 1xnb n ASN 32 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1xnb s THR 33 N -3.62 2.13 0.00 3.41 -4.23 -1.01 -3.30 115.64 109.02 1xnb s THR 33 Ca 0.41 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1xnb s THR 33 Cb -0.20 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1xnb s THR 33 CO 0.94 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.63 1xnb n GLY 34 N -2.94 0.47 3.58 3.99 0.00 -1.17 -2.89 105.19 106.23 1xnb n GLY 34 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1xnb n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xnb s ASN 35 N -1.00 4.69 0.07 1.61 3.04 -1.26 -1.37 114.94 120.72 1xnb s ASN 35 Ca 0.00 -0.02 -0.13 0.00 0.04 0.00 0.00 52.86 52.74 1xnb s ASN 35 Cb 0.00 -1.24 0.02 0.00 -1.54 0.00 0.00 41.25 38.49 1xnb s ASN 35 CO 0.00 0.35 0.31 0.72 -3.04 0.00 0.00 177.10 175.44 1xnb s PHE 36 N -0.71 -0.08 -0.06 0.43 -0.71 -1.01 -1.54 117.98 114.28 1xnb s PHE 36 Ca 0.11 -0.16 -0.03 0.00 -1.04 0.00 0.00 56.93 55.82 1xnb s PHE 36 Cb -0.11 0.11 0.04 0.00 -1.21 0.00 0.00 43.02 41.85 1xnb s PHE 36 CO 0.02 -0.57 0.12 0.08 -1.34 0.00 0.00 175.22 173.53 1xnb s VAL 37 N -3.15 -0.16 -0.01 -2.49 1.01 0.01 -1.92 120.40 113.68 1xnb s VAL 37 Ca -0.01 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.34 1xnb s VAL 37 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 1xnb s VAL 37 CO -0.07 0.14 -0.12 -0.69 0.00 0.00 0.00 175.10 174.36 1xnb s VAL 38 N 1.95 0.95 0.00 2.92 1.01 -0.53 -1.16 120.40 125.55 1xnb s VAL 38 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1xnb s VAL 38 Cb -0.12 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1xnb s VAL 38 CO -0.05 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1xnb n GLY 39 N 2.88 0.28 3.34 4.51 0.00 -0.12 -0.65 105.19 115.42 1xnb n GLY 39 Ca -0.15 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 1xnb n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xnb s LYS 40 N -2.00 1.34 0.00 1.61 1.02 -1.19 -0.62 119.74 119.90 1xnb s LYS 40 Ca 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.77 1xnb s LYS 40 Cb 0.00 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 1xnb s LYS 40 CO 0.00 0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.25 1xnb n GLY 41 N 1.15 -0.71 3.25 -3.33 0.00 -0.72 -1.48 105.19 103.36 1xnb n GLY 41 Ca -0.18 0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1xnb n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xnb s TRP 42 N -1.20 1.90 0.29 1.61 0.51 0.13 -0.71 118.94 121.48 1xnb s TRP 42 Ca 0.00 -0.37 -0.01 0.00 -2.12 0.00 0.00 56.10 53.60 1xnb s TRP 42 Cb 0.00 -1.17 0.44 0.00 -0.81 0.00 0.00 33.47 31.92 1xnb s TRP 42 CO 0.00 0.04 1.88 1.15 -0.51 0.00 0.00 176.95 179.52 1xnb h THR 43 N 4.45 1.21 -3.48 2.01 2.02 -1.86 -1.09 112.91 116.17 1xnb h THR 43 Ca -0.42 -0.65 -0.64 0.00 0.77 0.00 0.00 66.41 65.48 1xnb h THR 43 Cb 1.15 0.45 -0.37 0.00 -1.74 0.00 0.00 68.15 67.65 1xnb h THR 43 CO 0.45 0.26 -0.82 -0.89 0.37 0.00 0.00 175.52 174.90 1xnb s THR 44 N -5.45 1.87 0.85 3.16 2.01 -1.26 -2.66 115.64 114.17 1xnb s THR 44 Ca -0.10 -1.18 -0.11 0.00 0.31 0.00 0.00 61.69 60.61 1xnb s THR 44 Cb 0.16 -1.91 0.10 0.00 0.01 0.00 0.00 72.50 70.86 1xnb s THR 44 CO 0.79 0.18 1.09 -0.83 -0.69 0.00 0.00 174.62 175.17 1xnb s GLY 45 N 1.29 1.65 -0.05 4.40 0.00 0.65 -4.84 107.32 110.42 1xnb s GLY 45 Ca -0.02 0.15 -0.05 0.00 0.00 0.00 0.00 44.72 44.80 1xnb s GLY 45 CO -0.08 0.57 0.14 -0.45 0.00 0.00 0.00 173.10 173.28 1xnb s SER 46 N -3.32 -0.14 0.00 1.64 0.15 -1.26 -4.86 113.70 105.91 1xnb s SER 46 Ca 0.63 0.28 0.24 0.00 0.70 0.00 0.00 55.95 57.80 1xnb s SER 46 Cb -0.18 0.28 1.26 0.00 -1.71 0.00 0.00 66.02 65.66 1xnb s SER 46 CO 0.57 -0.05 1.80 -0.81 1.20 0.00 0.00 173.24 175.95 1xnb n PRO 47 N 3.07 0.42 0.00 5.44 -0.04 -1.26 -3.13 135.00 139.50 1xnb n PRO 47 Ca -0.13 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.46 1xnb n PRO 47 Cb 0.59 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.58 1xnb n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xnb n PHE 48 N -1.23 0.00 -2.35 0.54 3.72 -1.26 -3.12 117.46 113.76 1xnb n PHE 48 Ca 0.13 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.13 1xnb n PHE 48 Cb 0.17 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 1xnb n PHE 48 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1xnb s ARG 49 N -1.59 4.35 -0.26 -1.08 3.52 -1.19 -4.79 118.95 117.91 1xnb s ARG 49 Ca 0.16 1.87 -0.04 0.00 -0.13 0.00 0.00 55.73 57.59 1xnb s ARG 49 Cb 0.13 -2.94 0.01 0.00 -1.56 0.00 0.00 34.95 30.59 1xnb s ARG 49 CO 0.29 -0.07 0.01 0.99 -0.81 0.00 0.00 175.30 175.71 1xnb s THR 50 N -1.28 3.46 -0.12 4.11 2.01 -1.26 -2.94 115.64 119.63 1xnb s THR 50 Ca 0.51 -0.77 -0.14 0.00 0.31 0.00 0.00 61.69 61.59 1xnb s THR 50 Cb -0.32 -2.74 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 1xnb s THR 50 CO 0.41 0.18 0.33 -0.63 -0.69 0.00 0.00 174.62 174.23 1xnb s ILE 51 N 1.43 5.25 0.00 1.82 1.09 -0.33 -4.95 121.20 125.51 1xnb s ILE 51 Ca 0.02 0.64 0.06 0.00 -1.10 0.00 0.00 60.65 60.27 1xnb s ILE 51 Cb -0.16 -3.65 -0.03 0.00 -1.06 0.00 0.00 42.46 37.55 1xnb s ILE 51 CO -0.01 0.44 -0.18 0.20 -0.10 0.00 0.00 174.94 175.29 1xnb s ASN 52 N 0.01 3.76 0.16 3.58 0.01 -0.24 -0.39 114.94 121.83 1xnb s ASN 52 Ca 0.19 -0.36 -0.20 0.00 -0.71 0.00 0.00 52.86 51.79 1xnb s ASN 52 Cb -0.14 -0.65 0.05 0.00 0.41 0.00 0.00 41.25 40.92 1xnb s ASN 52 CO 0.07 0.30 0.53 -0.72 -1.51 0.00 0.00 177.10 175.76 1xnb s TYR 53 N -0.81 -0.33 -0.16 2.20 1.13 -0.35 -1.14 117.35 117.89 1xnb s TYR 53 Ca 0.13 0.04 -0.04 0.00 -1.41 0.00 0.00 57.07 55.79 1xnb s TYR 53 Cb -0.10 0.44 0.07 0.00 -1.10 0.00 0.00 41.96 41.27 1xnb s TYR 53 CO 0.03 -0.84 0.18 1.21 -2.51 0.00 0.00 175.55 173.62 1xnb s ASN 54 N -2.80 1.34 -0.67 -0.18 3.04 -0.36 -0.19 114.94 115.12 1xnb s ASN 54 Ca 0.04 -0.11 -0.20 0.00 0.04 0.00 0.00 52.86 52.63 1xnb s ASN 54 Cb -0.00 0.26 0.10 0.00 -1.54 0.00 0.00 41.25 40.07 1xnb s ASN 54 CO -0.09 -0.31 0.85 0.00 -3.04 0.00 0.00 177.10 174.51 1xnb s ALA 55 N 2.29 3.35 0.42 1.71 0.00 -1.26 -1.43 121.76 126.83 1xnb s ALA 55 Ca 0.05 -2.24 0.13 0.00 0.00 0.00 0.00 51.96 49.89 1xnb s ALA 55 Cb -0.15 -3.70 0.90 0.00 0.00 0.00 0.00 23.12 20.17 1xnb s ALA 55 CO -0.10 -2.57 1.94 0.78 0.00 0.00 0.00 175.76 175.82 1xnb h GLY 56 N 10.35 0.06 -6.55 0.00 0.00 -1.31 -0.96 103.07 104.66 1xnb h GLY 56 Ca -0.21 -0.04 -0.38 0.00 0.00 0.00 0.00 47.33 46.70 1xnb h GLY 56 CO 1.11 0.04 -0.76 0.14 0.00 0.00 0.00 176.54 177.07 1xnb s VAL 57 N -4.58 0.27 -0.32 4.60 1.01 -0.97 -4.79 120.40 115.61 1xnb s VAL 57 Ca -0.04 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1xnb s VAL 57 Cb 0.15 -0.37 0.12 0.00 0.00 0.00 0.00 36.38 36.28 1xnb s VAL 57 CO 0.71 0.19 0.16 0.86 0.00 0.00 0.00 175.10 177.02 1xnb s TRP 58 N 1.26 0.58 -0.45 5.22 -0.00 -1.26 -1.09 118.94 123.21 1xnb s TRP 58 Ca -0.06 -1.24 0.09 0.00 -0.00 0.00 0.00 56.10 54.89 1xnb s TRP 58 Cb -0.13 -0.97 0.31 0.00 -0.00 0.00 0.00 33.47 32.67 1xnb s TRP 58 CO -0.02 -0.83 0.71 0.00 -0.00 0.00 0.00 176.95 176.81 1xnb n ALA 59 N 4.74 2.87 -1.88 5.86 0.00 -0.00 -5.03 120.51 127.07 1xnb n ALA 59 Ca 0.01 -3.81 -0.40 0.00 0.00 0.00 0.00 53.44 49.24 1xnb n ALA 59 Cb 0.40 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 1xnb n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xnb s PRO 60 N -2.26 4.70 -0.76 0.00 0.04 -1.26 -1.94 135.00 133.51 1xnb s PRO 60 Ca 0.40 1.66 0.02 0.00 0.04 0.00 0.00 61.00 63.12 1xnb s PRO 60 Cb 0.26 -3.26 0.34 0.00 0.04 0.00 0.00 34.50 31.88 1xnb s PRO 60 CO -0.09 0.27 1.34 0.09 0.04 0.00 0.00 177.00 178.64 1xnb n ASN 61 N 1.73 5.73 0.00 6.66 4.13 0.58 -4.88 115.26 129.21 1xnb n ASN 61 Ca -0.00 -3.70 0.00 0.00 1.68 0.00 0.00 54.58 52.56 1xnb n ASN 61 Cb 0.46 -0.81 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 1xnb n ASN 61 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xnb n GLY 62 N -0.20 0.42 3.60 7.41 0.00 -1.26 -3.70 105.19 111.47 1xnb n GLY 62 Ca 0.38 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1xnb n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xnb s ASN 63 N -4.00 6.44 -0.09 1.61 3.04 -1.26 -1.94 114.94 118.75 1xnb s ASN 63 Ca 0.00 0.68 -0.24 0.00 0.04 0.00 0.00 52.86 53.33 1xnb s ASN 63 Cb 0.00 -2.54 0.06 0.00 -1.54 0.00 0.00 41.25 37.22 1xnb s ASN 63 CO 0.00 -1.37 0.57 -0.83 -3.04 0.00 0.00 177.10 172.42 1xnb s GLY 64 N 3.38 -0.44 0.01 1.21 0.00 -1.26 -2.13 107.32 108.09 1xnb s GLY 64 Ca 0.56 1.17 0.08 0.00 0.00 0.00 0.00 44.72 46.53 1xnb s GLY 64 CO 0.32 0.88 -0.24 -0.19 0.00 0.00 0.00 173.10 173.88 1xnb s TYR 65 N -0.82 2.13 -0.35 1.90 2.02 0.69 -0.97 117.35 121.95 1xnb s TYR 65 Ca -0.09 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.15 1xnb s TYR 65 Cb -0.02 -1.33 0.05 0.00 -0.40 0.00 0.00 41.96 40.25 1xnb s TYR 65 CO 0.06 0.03 0.11 -1.17 -1.57 0.00 0.00 175.55 173.01 1xnb s LEU 66 N -0.83 4.40 -0.05 -1.29 2.96 -0.38 -1.59 118.68 121.91 1xnb s LEU 66 Ca 0.10 -1.22 -0.22 0.00 -0.22 0.00 0.00 54.13 52.57 1xnb s LEU 66 Cb -0.09 -1.87 0.05 0.00 0.50 0.00 0.00 46.19 44.78 1xnb s LEU 66 CO 0.00 -0.35 0.50 0.28 -1.32 0.00 0.00 176.35 175.46 1xnb s THR 67 N 1.38 0.03 0.33 3.68 -1.32 -0.44 -1.53 115.64 117.77 1xnb s THR 67 Ca -0.01 -0.21 -0.28 0.00 -1.21 0.00 0.00 61.69 59.98 1xnb s THR 67 Cb -0.20 -0.79 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 1xnb s THR 67 CO 0.02 -0.12 1.14 -0.22 -2.21 0.00 0.00 174.62 173.23 1xnb s LEU 68 N -1.07 4.41 -0.08 9.08 2.96 -0.17 -0.23 118.68 133.58 1xnb s LEU 68 Ca -0.11 2.31 -0.06 0.00 -0.22 0.00 0.00 54.13 56.05 1xnb s LEU 68 Cb -0.03 -3.78 0.03 0.00 0.50 0.00 0.00 46.19 42.90 1xnb s LEU 68 CO 0.06 -0.35 0.20 -0.47 -1.32 0.00 0.00 176.35 174.47 1xnb s TYR 69 N -1.27 -0.23 0.15 5.38 5.04 0.66 -1.88 117.35 125.20 1xnb s TYR 69 Ca 0.49 0.57 -0.23 0.00 -2.44 0.00 0.00 57.07 55.46 1xnb s TYR 69 Cb -0.31 0.06 0.08 0.00 0.35 0.00 0.00 41.96 42.13 1xnb s TYR 69 CO 0.40 -0.13 1.07 0.20 -1.34 0.00 0.00 175.55 175.76 1xnb s GLY 70 N 0.37 0.07 0.06 8.97 0.00 -0.94 -0.65 107.32 115.21 1xnb s GLY 70 Ca -0.02 -0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.44 1xnb s GLY 70 CO -0.02 2.83 -0.05 -0.98 0.00 0.00 0.00 173.10 174.88 1xnb s TRP 71 N -2.17 0.64 0.14 1.90 0.52 -1.11 -1.11 118.94 117.74 1xnb s TRP 71 Ca 0.23 -0.86 0.04 0.00 0.02 0.00 0.00 56.10 55.53 1xnb s TRP 71 Cb -0.02 -0.41 -0.04 0.00 -1.15 0.00 0.00 33.47 31.85 1xnb s TRP 71 CO 0.04 -0.23 -0.10 0.95 0.02 0.00 0.00 176.95 177.63 1xnb s THR 72 N -3.12 1.10 0.26 2.01 -4.23 -0.61 -1.58 115.64 109.48 1xnb s THR 72 Ca 0.03 -1.99 0.12 0.00 -1.18 0.00 0.00 61.69 58.67 1xnb s THR 72 Cb 0.02 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 72.04 1xnb s THR 72 CO -0.05 -0.73 -0.21 -0.13 -0.54 0.00 0.00 174.62 172.96 1xnb s ARG 73 N -3.62 1.65 -0.94 3.99 0.52 0.85 -1.60 118.95 119.81 1xnb s ARG 73 Ca 0.15 -1.72 -0.07 0.00 -0.52 0.00 0.00 55.73 53.57 1xnb s ARG 73 Cb 0.02 -1.79 -0.02 0.00 0.52 0.00 0.00 34.95 33.68 1xnb s ARG 73 CO 0.00 0.34 0.78 0.43 0.02 0.00 0.00 175.30 176.88 1xnb n SER 74 N -0.46 -6.59 -4.95 0.23 7.64 -1.26 -2.07 113.62 106.16 1xnb n SER 74 Ca -0.06 -0.58 -0.23 0.00 1.01 0.00 0.00 58.87 59.00 1xnb n SER 74 Cb 0.59 -4.49 0.05 0.00 -1.01 0.00 0.00 64.21 59.35 1xnb n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1xnb s PRO 75 N -4.32 2.47 -0.24 1.43 0.04 -1.26 -1.75 135.00 131.37 1xnb s PRO 75 Ca 0.26 -0.50 -0.29 0.00 0.04 0.00 0.00 61.00 60.50 1xnb s PRO 75 Cb -0.06 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1xnb s PRO 75 CO 0.79 -0.89 1.40 -1.17 0.04 0.00 0.00 177.00 177.16 1xnb s LEU 76 N -4.95 3.97 -0.02 -3.56 2.96 -1.26 -4.15 118.68 111.66 1xnb s LEU 76 Ca 0.58 1.47 0.00 0.00 -0.22 0.00 0.00 54.13 55.96 1xnb s LEU 76 Cb -0.10 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.07 1xnb s LEU 76 CO 0.41 -1.06 0.02 -0.63 -1.32 0.00 0.00 176.35 173.77 1xnb s ILE 77 N 4.41 -0.00 -0.24 6.68 1.01 -0.63 -3.97 121.20 128.46 1xnb s ILE 77 Ca 0.61 0.15 -0.08 0.00 0.00 0.00 0.00 60.65 61.33 1xnb s ILE 77 Cb -0.21 -0.10 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 1xnb s ILE 77 CO 0.23 0.08 0.09 -0.70 0.00 0.00 0.00 174.94 174.64 1xnb s GLU 78 N 0.83 3.77 0.25 2.79 2.12 -0.97 -1.58 118.70 125.92 1xnb s GLU 78 Ca -0.07 -0.42 0.12 0.00 0.36 0.00 0.00 54.97 54.95 1xnb s GLU 78 Cb -0.10 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 1xnb s GLU 78 CO -0.02 -0.08 -0.21 1.52 -0.54 0.00 0.00 175.26 175.93 1xnb s TYR 79 N 1.36 2.30 -0.02 5.30 -0.85 -0.27 -1.78 117.35 123.40 1xnb s TYR 79 Ca 0.05 -0.34 -0.04 0.00 -0.52 0.00 0.00 57.07 56.23 1xnb s TYR 79 Cb -0.15 -1.04 0.00 0.00 0.38 0.00 0.00 41.96 41.15 1xnb s TYR 79 CO 0.04 0.65 0.09 0.71 -1.52 0.00 0.00 175.55 175.52 1xnb s TYR 80 N -2.24 -0.01 -0.36 -3.49 1.51 -0.17 -2.20 117.35 110.40 1xnb s TYR 80 Ca 0.27 0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.37 1xnb s TYR 80 Cb -0.06 -0.02 0.11 0.00 -0.11 0.00 0.00 41.96 41.88 1xnb s TYR 80 CO 0.13 -0.14 0.14 0.08 -1.11 0.00 0.00 175.55 174.65 1xnb s VAL 81 N -0.59 1.23 -0.28 0.71 1.01 -0.79 -1.39 120.40 120.30 1xnb s VAL 81 Ca -0.07 -1.91 -0.23 0.00 0.00 0.00 0.00 61.98 59.77 1xnb s VAL 81 Cb -0.04 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 1xnb s VAL 81 CO 0.00 -0.74 0.76 -0.69 0.00 0.00 0.00 175.10 174.43 1xnb s VAL 82 N 1.10 4.85 -0.15 2.92 1.01 0.76 -1.00 120.40 129.88 1xnb s VAL 82 Ca 0.13 1.24 0.13 0.00 0.00 0.00 0.00 61.98 63.47 1xnb s VAL 82 Cb -0.20 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 31.85 1xnb s VAL 82 CO -0.14 -0.15 0.24 0.47 0.00 0.00 0.00 175.10 175.52 1xnb n ASP 83 N 6.05 0.67 -3.89 3.32 8.00 -0.58 -1.37 116.55 128.74 1xnb n ASP 83 Ca 0.03 0.13 -0.09 0.00 0.71 0.00 0.00 54.79 55.57 1xnb n ASP 83 Cb 0.48 0.36 -0.06 0.00 -0.02 0.00 0.00 41.12 41.88 1xnb n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1xnb s SER 84 N -5.92 -0.07 0.37 -2.24 0.15 -1.11 -0.81 113.70 104.07 1xnb s SER 84 Ca -0.12 -0.75 -0.08 0.00 0.70 0.00 0.00 55.95 55.70 1xnb s SER 84 Cb 0.07 0.49 0.03 0.00 -1.71 0.00 0.00 66.02 64.90 1xnb s SER 84 CO 0.80 -0.97 0.62 -1.66 1.20 0.00 0.00 173.24 173.23 1xnb s TRP 85 N -3.94 0.68 0.00 3.44 -2.14 -1.26 -1.24 118.94 114.47 1xnb s TRP 85 Ca 0.15 -1.10 0.00 0.00 2.66 0.00 0.00 56.10 57.81 1xnb s TRP 85 Cb 0.02 0.32 0.00 0.00 -3.10 0.00 0.00 33.47 30.70 1xnb s TRP 85 CO -0.00 -1.34 0.00 0.41 -2.66 0.00 0.00 176.95 173.35 1xnb n GLY 86 N -0.56 0.46 0.04 3.67 0.00 -0.14 -4.93 105.19 103.73 1xnb n GLY 86 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1xnb n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xnb n THR 87 N 0.00 0.21 -4.19 2.61 -2.24 -0.82 -4.83 114.28 105.03 1xnb n THR 87 Ca 0.00 -0.16 -0.27 0.00 -2.27 0.00 0.00 64.05 61.35 1xnb n THR 87 Cb 0.00 -0.03 -0.17 0.00 -2.10 0.00 0.00 70.33 68.03 1xnb n THR 87 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1xnb s TYR 88 N -3.10 1.72 -0.27 4.78 5.04 -1.26 -5.00 117.35 119.26 1xnb s TYR 88 Ca 0.08 -0.83 -0.19 0.00 -2.44 0.00 0.00 57.07 53.70 1xnb s TYR 88 Cb 0.15 -1.31 -0.02 0.00 0.35 0.00 0.00 41.96 41.13 1xnb s TYR 88 CO 0.70 -0.49 0.56 0.50 -1.34 0.00 0.00 175.55 175.48 1xnb s ARG 89 N 1.29 4.05 0.22 4.97 3.52 -1.26 -4.83 118.95 126.90 1xnb s ARG 89 Ca -0.02 0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 55.65 1xnb s ARG 89 Cb -0.14 -3.67 -0.09 0.00 -1.56 0.00 0.00 34.95 29.49 1xnb s ARG 89 CO -0.05 -0.40 1.36 -1.25 -0.81 0.00 0.00 175.30 174.15 1xnb s PRO 90 N 2.40 4.34 0.24 5.12 0.04 -1.26 -5.02 135.00 140.86 1xnb s PRO 90 Ca 0.23 2.15 0.01 0.00 0.04 0.00 0.00 61.00 63.43 1xnb s PRO 90 Cb -0.15 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1xnb s PRO 90 CO 0.09 -0.32 0.15 0.95 0.04 0.00 0.00 177.00 177.91 1xnb s THR 91 N 0.09 0.10 0.00 1.26 -4.23 -1.26 -4.93 115.64 106.67 1xnb s THR 91 Ca 0.58 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1xnb s THR 91 Cb -0.39 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1xnb s THR 91 CO 0.40 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 1xnb n GLY 92 N -0.38 2.98 3.63 3.99 0.00 -1.26 -4.98 105.19 109.16 1xnb n GLY 92 Ca 0.03 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1xnb n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xnb s THR 93 N -0.17 4.41 0.15 2.61 2.01 -0.25 -4.84 115.64 119.56 1xnb s THR 93 Ca 0.00 1.60 -0.31 0.00 0.31 0.00 0.00 61.69 63.29 1xnb s THR 93 Cb 0.00 -4.41 -0.09 0.00 0.01 0.00 0.00 72.50 68.01 1xnb s THR 93 CO 0.00 -0.56 1.47 -0.47 -0.69 0.00 0.00 174.62 174.37 1xnb s TYR 94 N 3.88 3.14 -0.05 4.92 5.04 -1.26 -1.95 117.35 131.06 1xnb s TYR 94 Ca 0.47 0.82 0.04 0.00 -2.44 0.00 0.00 57.07 55.96 1xnb s TYR 94 Cb -0.12 -3.80 -0.06 0.00 0.35 0.00 0.00 41.96 38.32 1xnb s TYR 94 CO 0.19 -2.86 0.01 1.63 -1.34 0.00 0.00 175.55 173.18 1xnb n LYS 95 N 3.77 2.71 -3.66 4.97 4.76 0.27 -4.99 118.16 126.00 1xnb n LYS 95 Ca 0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1xnb n LYS 95 Cb 0.40 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 1xnb n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xnb n GLY 96 N 2.75 -0.48 3.22 0.72 0.00 -1.24 -4.99 105.19 105.17 1xnb n GLY 96 Ca -0.09 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 1xnb n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xnb s THR 97 N -2.99 0.76 -0.08 2.61 -4.23 -1.26 -0.40 115.64 110.06 1xnb s THR 97 Ca 0.00 -1.98 -0.05 0.00 -1.18 0.00 0.00 61.69 58.49 1xnb s THR 97 Cb 0.00 -1.95 0.03 0.00 1.34 0.00 0.00 72.50 71.92 1xnb s THR 97 CO 0.00 -0.63 0.18 0.54 -0.54 0.00 0.00 174.62 174.17 1xnb s VAL 98 N -3.60 -0.03 -0.21 2.29 0.11 -0.38 -4.93 120.40 113.66 1xnb s VAL 98 Ca 0.19 0.11 -0.11 0.00 -2.93 0.00 0.00 61.98 59.24 1xnb s VAL 98 Cb 0.05 -0.28 -0.05 0.00 -1.53 0.00 0.00 36.38 34.58 1xnb s VAL 98 CO 0.01 0.04 0.18 -0.54 -3.33 0.00 0.00 175.10 171.47 1xnb s LYS 99 N 0.80 4.16 -0.18 1.54 3.01 -1.26 -0.56 119.74 127.26 1xnb s LYS 99 Ca -0.06 -0.16 -0.22 0.00 -1.01 0.00 0.00 55.97 54.53 1xnb s LYS 99 Cb -0.07 -3.47 0.06 0.00 -1.01 0.00 0.00 37.83 33.33 1xnb s LYS 99 CO -0.04 0.19 0.58 0.45 0.51 0.00 0.00 175.35 177.03 1xnb s SER 100 N 0.65 -0.58 -1.60 2.83 0.15 -0.12 -4.97 113.70 110.06 1xnb s SER 100 Ca 0.10 1.02 -0.13 0.00 0.70 0.00 0.00 55.95 57.64 1xnb s SER 100 Cb -0.12 1.03 0.11 0.00 -1.71 0.00 0.00 66.02 65.32 1xnb s SER 100 CO 0.02 -0.29 0.76 0.47 1.20 0.00 0.00 173.24 175.41 1xnb n ASP 101 N 2.36 -3.06 0.00 5.45 8.00 -1.26 -1.24 116.55 126.80 1xnb n ASP 101 Ca -0.15 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1xnb n ASP 101 Cb 0.56 -3.12 0.00 0.00 -0.02 0.00 0.00 41.12 38.54 1xnb n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xnb n GLY 102 N -1.59 0.96 3.38 0.44 0.00 -1.26 -4.93 105.19 102.18 1xnb n GLY 102 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1xnb n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xnb s GLY 103 N -1.94 1.65 -0.14 -0.02 0.00 -0.38 -5.14 107.32 101.36 1xnb s GLY 103 Ca 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 44.72 42.89 1xnb s GLY 103 CO 0.00 -1.76 -0.09 -1.59 0.00 0.00 0.00 173.10 169.67 1xnb s THR 104 N -3.17 3.47 -0.03 0.90 2.01 -1.26 -0.95 115.64 116.61 1xnb s THR 104 Ca 0.28 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.83 1xnb s THR 104 Cb 0.04 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1xnb s THR 104 CO 0.10 0.51 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.99 1xnb s TYR 105 N 0.28 2.41 0.20 4.92 1.51 0.28 -0.98 117.35 125.97 1xnb s TYR 105 Ca -0.06 -0.45 -0.19 0.00 -1.01 0.00 0.00 57.07 55.36 1xnb s TYR 105 Cb -0.15 -1.54 -0.08 0.00 -0.11 0.00 0.00 41.96 40.08 1xnb s TYR 105 CO 0.04 -0.04 0.69 -0.51 -1.11 0.00 0.00 175.55 174.62 1xnb s ASP 106 N -0.55 7.02 -0.19 2.29 1.01 0.12 -1.25 116.67 125.13 1xnb s ASP 106 Ca 0.08 1.35 -0.06 0.00 0.71 0.00 0.00 52.55 54.63 1xnb s ASP 106 Cb -0.11 -2.39 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 1xnb s ASP 106 CO 0.00 0.05 0.02 -0.63 0.21 0.00 0.00 175.17 174.83 1xnb s ILE 107 N -1.50 4.32 0.10 0.77 1.01 0.47 -0.65 121.20 125.71 1xnb s ILE 107 Ca 0.42 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.90 1xnb s ILE 107 Cb -0.16 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1xnb s ILE 107 CO 0.21 0.45 -0.08 -0.31 0.00 0.00 0.00 174.94 175.20 1xnb s TYR 108 N 0.64 0.97 0.05 3.97 2.02 -0.42 -0.56 117.35 124.02 1xnb s TYR 108 Ca 0.01 -0.75 0.07 0.00 -0.37 0.00 0.00 57.07 56.03 1xnb s TYR 108 Cb -0.14 -0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 40.86 1xnb s TYR 108 CO 0.02 -0.06 -0.18 0.95 -1.57 0.00 0.00 175.55 174.71 1xnb s THR 109 N -2.87 1.46 0.22 -0.71 -4.23 -0.82 -0.96 115.64 107.73 1xnb s THR 109 Ca 0.07 -1.20 -0.04 0.00 -1.18 0.00 0.00 61.69 59.34 1xnb s THR 109 Cb 0.00 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.51 1xnb s THR 109 CO -0.02 0.06 0.23 0.42 -0.54 0.00 0.00 174.62 174.78 1xnb s THR 110 N -0.91 0.00 -0.01 3.99 -4.23 -0.91 -1.09 115.64 112.48 1xnb s THR 110 Ca 0.05 -1.83 0.02 0.00 -1.18 0.00 0.00 61.69 58.75 1xnb s THR 110 Cb -0.09 -2.42 -0.00 0.00 1.34 0.00 0.00 72.50 71.33 1xnb s THR 110 CO 0.02 0.00 -0.08 -0.89 -0.54 0.00 0.00 174.62 173.13 1xnb s THR 111 N -4.10 0.68 -0.13 3.99 2.01 -1.26 -0.94 115.64 115.89 1xnb s THR 111 Ca 0.34 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 1xnb s THR 111 Cb 0.05 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1xnb s THR 111 CO 0.12 0.20 0.01 -0.13 -0.69 0.00 0.00 174.62 174.13 1xnb s ARG 112 N -0.01 3.41 -0.17 4.92 1.81 0.19 -4.98 118.95 124.12 1xnb s ARG 112 Ca 0.00 -0.41 -0.01 0.00 -1.72 0.00 0.00 55.73 53.59 1xnb s ARG 112 Cb -0.05 -2.94 -0.01 0.00 -0.45 0.00 0.00 34.95 31.50 1xnb s ARG 112 CO -0.00 0.49 -0.11 0.71 -0.68 0.00 0.00 175.30 175.71 1xnb s TYR 113 N -0.29 2.86 -1.30 -0.53 2.02 -1.26 -1.59 117.35 117.27 1xnb s TYR 113 Ca 0.07 -0.88 -0.05 0.00 -0.37 0.00 0.00 57.07 55.84 1xnb s TYR 113 Cb -0.12 -1.95 -0.00 0.00 -0.40 0.00 0.00 41.96 39.49 1xnb s TYR 113 CO 0.02 -0.41 0.62 -1.71 -1.57 0.00 0.00 175.55 172.50 1xnb n ASN 114 N 4.11 -1.97 -4.47 2.29 5.15 -0.80 -4.95 115.26 114.63 1xnb n ASN 114 Ca -0.19 -0.93 -0.26 0.00 -0.60 0.00 0.00 54.58 52.60 1xnb n ASN 114 Cb 0.52 -3.56 -0.11 0.00 -0.53 0.00 0.00 39.78 36.10 1xnb n ASN 114 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xnb s ALA 115 N -3.72 2.69 0.31 5.20 0.00 -0.16 -4.67 121.76 121.40 1xnb s ALA 115 Ca 0.13 -1.65 -0.29 0.00 0.00 0.00 0.00 51.96 50.15 1xnb s ALA 115 Cb -0.04 -0.42 -0.10 0.00 0.00 0.00 0.00 23.12 22.55 1xnb s ALA 115 CO 0.85 0.40 1.42 -2.14 0.00 0.00 0.00 175.76 176.30 1xnb s PRO 116 N -2.90 4.25 0.37 0.00 0.02 -1.26 -1.23 135.00 134.26 1xnb s PRO 116 Ca 0.24 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1xnb s PRO 116 Cb -0.07 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.39 1xnb s PRO 116 CO 0.12 -0.39 0.01 -1.13 -0.33 0.00 0.00 177.00 175.28 1xnb n SER 117 N 1.44 2.91 0.02 2.53 3.41 -1.23 -4.91 113.62 117.78 1xnb n SER 117 Ca 0.04 -2.66 0.07 0.00 -0.26 0.00 0.00 58.87 56.06 1xnb n SER 117 Cb 0.40 0.31 0.49 0.00 -0.26 0.00 0.00 64.21 65.15 1xnb n SER 117 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1xnb h ILE 118 N 1.22 1.01 0.00 -1.33 2.10 -1.95 -1.66 117.51 116.90 1xnb h ILE 118 Ca -0.31 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1xnb h ILE 118 Cb 0.95 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.26 1xnb h ILE 118 CO 0.51 0.07 0.00 0.47 -1.08 0.00 0.00 178.15 178.13 1xnb n ASP 119 N -4.48 0.00 0.00 2.19 8.00 -1.26 -5.02 116.55 115.98 1xnb n ASP 119 Ca 0.04 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1xnb n ASP 119 Cb 0.17 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1xnb n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xnb n GLY 120 N 0.99 -0.71 7.00 0.44 0.00 -0.63 -5.04 105.19 107.25 1xnb n GLY 120 Ca 0.23 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1xnb n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xnb n ASP 121 N -0.88 -2.33 -4.07 1.61 8.00 -1.26 -4.29 116.55 113.33 1xnb n ASP 121 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 1xnb n ASP 121 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 1xnb n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1xnb s ARG 122 N 0.00 0.62 0.35 -1.24 0.52 -1.26 -3.57 118.95 114.37 1xnb s ARG 122 Ca 0.00 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 54.43 1xnb s ARG 122 Cb 0.00 -0.51 0.06 0.00 0.52 0.00 0.00 34.95 35.01 1xnb s ARG 122 CO 0.00 0.12 0.74 -2.37 0.02 0.00 0.00 175.30 173.81 1xnb n THR 123 N 1.89 0.00 -4.27 0.02 5.66 -0.36 -4.80 114.28 112.41 1xnb n THR 123 Ca -0.19 -0.88 -0.34 0.00 -3.05 0.00 0.00 64.05 59.58 1xnb n THR 123 Cb 0.55 0.90 -0.12 0.00 -1.55 0.00 0.00 70.33 70.11 1xnb n THR 123 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1xnb s THR 124 N -2.17 4.09 0.11 1.09 2.01 -1.26 -0.99 115.64 118.53 1xnb s THR 124 Ca 0.15 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 61.75 1xnb s THR 124 Cb -0.04 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.67 1xnb s THR 124 CO 0.11 0.48 0.29 0.72 -0.69 0.00 0.00 174.62 175.52 1xnb s PHE 125 N 0.45 0.03 0.18 4.92 -0.12 -0.62 -4.99 117.98 117.84 1xnb s PHE 125 Ca -0.02 -0.41 -0.09 0.00 -0.05 0.00 0.00 56.93 56.36 1xnb s PHE 125 Cb -0.14 0.08 -0.07 0.00 -0.63 0.00 0.00 43.02 42.26 1xnb s PHE 125 CO 0.02 -0.64 0.49 0.99 -0.05 0.00 0.00 175.22 176.04 1xnb s THR 126 N -3.85 4.99 -0.05 -4.49 2.01 -1.25 -0.64 115.64 112.36 1xnb s THR 126 Ca 0.06 0.42 0.06 0.00 0.31 0.00 0.00 61.69 62.53 1xnb s THR 126 Cb 0.03 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 1xnb s THR 126 CO -0.10 0.03 -0.24 -1.10 -0.69 0.00 0.00 174.62 172.52 1xnb s GLN 127 N -2.57 2.41 -0.10 4.92 -0.21 -0.12 -2.30 119.66 121.69 1xnb s GLN 127 Ca 0.43 -0.87 -0.01 0.00 0.02 0.00 0.00 55.36 54.93 1xnb s GLN 127 Cb -0.12 -2.07 -0.03 0.00 1.00 0.00 0.00 33.01 31.79 1xnb s GLN 127 CO 0.21 0.38 -0.05 0.71 -2.12 0.00 0.00 175.29 174.42 1xnb s TYR 128 N -0.18 2.99 0.00 0.91 2.02 -0.74 -2.15 117.35 120.22 1xnb s TYR 128 Ca -0.02 -0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.63 1xnb s TYR 128 Cb -0.13 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.62 1xnb s TYR 128 CO 0.03 0.22 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.57 1xnb s TRP 129 N -0.43 0.78 -0.18 2.71 0.52 -0.13 -0.99 118.94 121.21 1xnb s TRP 129 Ca 0.07 -0.19 0.01 0.00 0.02 0.00 0.00 56.10 56.00 1xnb s TRP 129 Cb -0.12 -0.49 0.03 0.00 -1.15 0.00 0.00 33.47 31.74 1xnb s TRP 129 CO 0.02 -0.01 -0.15 -1.12 0.02 0.00 0.00 176.95 175.71 1xnb s SER 130 N -0.42 3.21 -0.17 2.95 0.01 -0.48 -1.30 113.70 117.50 1xnb s SER 130 Ca 0.02 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 56.54 1xnb s SER 130 Cb -0.04 -1.34 0.02 0.00 0.21 0.00 0.00 66.02 64.87 1xnb s SER 130 CO -0.00 -0.07 -0.19 -0.69 0.41 0.00 0.00 173.24 172.69 1xnb s VAL 131 N 1.35 2.00 0.43 3.43 1.01 0.17 -0.17 120.40 128.63 1xnb s VAL 131 Ca 0.02 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 1xnb s VAL 131 Cb -0.15 -1.81 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 1xnb s VAL 131 CO -0.10 0.53 1.27 -1.14 0.00 0.00 0.00 175.10 175.66 1xnb n ARG 132 N 4.60 1.91 0.11 2.72 0.63 -0.47 -0.70 116.66 125.45 1xnb n ARG 132 Ca -0.20 0.68 -0.01 0.00 -0.92 0.00 0.00 57.85 57.39 1xnb n ARG 132 Cb 0.50 -2.40 0.24 0.00 0.45 0.00 0.00 32.46 31.25 1xnb n ARG 132 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1xnb h GLN 133 N 2.03 0.20 -5.22 -0.14 4.20 -1.42 -3.44 115.11 111.32 1xnb h GLN 133 Ca -0.48 -0.09 -0.38 0.00 0.06 0.00 0.00 58.65 57.75 1xnb h GLN 133 Cb 1.30 -0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.88 1xnb h GLN 133 CO 0.60 0.58 -0.76 -1.54 -0.67 0.00 0.00 178.83 177.04 1xnb s SER 134 N -6.88 1.68 0.29 1.46 1.04 -1.26 -5.11 113.70 104.91 1xnb s SER 134 Ca -0.04 -0.73 -0.30 0.00 0.48 0.00 0.00 55.95 55.36 1xnb s SER 134 Cb 0.13 -0.04 -0.11 0.00 0.10 0.00 0.00 66.02 66.11 1xnb s SER 134 CO 0.77 -0.16 1.49 -0.54 0.98 0.00 0.00 173.24 175.77 1xnb s LYS 135 N -2.33 4.21 0.07 4.02 1.02 -1.26 -4.93 119.74 120.53 1xnb s LYS 135 Ca 0.03 2.42 -0.30 0.00 0.02 0.00 0.00 55.97 58.14 1xnb s LYS 135 Cb -0.06 -3.06 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 1xnb s LYS 135 CO 0.02 -0.49 1.04 0.50 -0.92 0.00 0.00 175.35 175.50 1xnb s ARG 136 N -0.76 4.57 0.56 1.68 3.52 0.01 -4.99 118.95 123.54 1xnb s ARG 136 Ca 0.59 1.54 -0.21 0.00 -0.13 0.00 0.00 55.73 57.52 1xnb s ARG 136 Cb -0.44 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 1xnb s ARG 136 CO 0.48 -0.01 1.35 -2.30 -0.81 0.00 0.00 175.30 174.02 1xnb n PRO 137 N 3.40 1.63 -3.76 5.12 -0.02 -1.26 -4.80 135.00 135.31 1xnb n PRO 137 Ca 0.05 0.60 -0.22 0.00 -2.02 0.00 0.00 63.50 61.92 1xnb n PRO 137 Cb 0.49 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 1xnb n PRO 137 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xnb s THR 138 N -1.30 2.77 0.00 3.45 -4.23 -1.26 -4.64 115.64 110.43 1xnb s THR 138 Ca 0.73 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1xnb s THR 138 Cb -0.41 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1xnb s THR 138 CO 0.48 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 1xnb n GLY 139 N -1.42 0.29 3.73 3.99 0.00 -0.36 -4.99 105.19 106.42 1xnb n GLY 139 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1xnb n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnb s SER 140 N -2.33 4.61 -0.39 1.61 0.01 -1.26 -4.89 113.70 111.07 1xnb s SER 140 Ca 0.00 -0.85 -0.29 0.00 1.31 0.00 0.00 55.95 56.12 1xnb s SER 140 Cb 0.00 -0.66 0.02 0.00 0.21 0.00 0.00 66.02 65.59 1xnb s SER 140 CO 0.00 -0.36 1.24 0.20 0.41 0.00 0.00 173.24 174.73 1xnb s ASN 141 N -3.86 6.62 0.15 2.44 0.01 -1.26 -4.27 114.94 114.76 1xnb s ASN 141 Ca 0.39 0.84 0.07 0.00 -0.71 0.00 0.00 52.86 53.45 1xnb s ASN 141 Cb -0.01 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 1xnb s ASN 141 CO 0.23 -1.19 -0.03 0.00 -1.51 0.00 0.00 177.10 174.59 1xnb s ALA 142 N 4.55 3.13 -0.02 0.60 0.00 0.74 -4.97 121.76 125.79 1xnb s ALA 142 Ca 0.53 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 51.21 1xnb s ALA 142 Cb -0.12 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 1xnb s ALA 142 CO 0.27 0.54 -0.16 0.99 0.00 0.00 0.00 175.76 177.40 1xnb s THR 143 N -1.57 1.29 -0.26 0.00 2.01 -1.26 -1.21 115.64 114.64 1xnb s THR 143 Ca 0.26 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1xnb s THR 143 Cb -0.10 -1.08 0.06 0.00 0.01 0.00 0.00 72.50 71.39 1xnb s THR 143 CO 0.17 0.37 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.76 1xnb s ILE 144 N -0.27 1.91 -0.96 1.82 1.01 0.48 -4.80 121.20 120.40 1xnb s ILE 144 Ca 0.04 -1.53 -0.19 0.00 0.00 0.00 0.00 60.65 58.96 1xnb s ILE 144 Cb -0.07 -2.12 0.12 0.00 0.01 0.00 0.00 42.46 40.40 1xnb s ILE 144 CO -0.00 -0.11 1.20 -0.89 0.00 0.00 0.00 174.94 175.14 1xnb s THR 145 N 1.21 4.60 0.50 2.92 2.01 -1.26 -1.19 115.64 124.42 1xnb s THR 145 Ca -0.06 -1.49 0.18 0.00 0.31 0.00 0.00 61.69 60.63 1xnb s THR 145 Cb -0.19 -4.84 0.32 0.00 0.01 0.00 0.00 72.50 67.80 1xnb s THR 145 CO -0.06 -1.59 2.06 0.15 -0.69 0.00 0.00 174.62 174.49 1xnb h PHE 146 N 8.91 0.12 -0.49 4.92 3.57 -1.85 -2.01 116.94 130.11 1xnb h PHE 146 Ca 0.17 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1xnb h PHE 146 Cb 1.01 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 1xnb h PHE 146 CO 1.19 0.06 0.33 0.00 -2.23 0.00 0.00 178.31 177.66 1xnb h THR 147 N 0.12 1.06 -0.55 4.41 1.03 -1.72 -0.90 112.91 116.35 1xnb h THR 147 Ca 0.14 -0.19 -0.04 0.00 -0.01 0.00 0.00 66.41 66.31 1xnb h THR 147 Cb 0.41 0.45 -0.03 0.00 -1.07 0.00 0.00 68.15 67.91 1xnb h THR 147 CO -0.02 0.10 0.17 0.78 -0.01 0.00 0.00 175.52 176.54 1xnb h ASN 148 N 0.56 0.77 -0.07 0.00 -0.26 -1.68 -0.97 115.58 113.92 1xnb h ASN 148 Ca 0.20 -0.12 -0.10 0.00 -0.56 0.00 0.00 56.30 55.72 1xnb h ASN 148 Cb 0.09 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1xnb h ASN 148 CO -0.05 0.73 -0.34 0.45 -1.06 0.00 0.00 177.43 177.16 1xnb h HIS 149 N 0.81 0.49 -0.66 1.19 3.86 -1.31 -1.98 115.15 117.54 1xnb h HIS 149 Ca 0.18 -0.21 0.05 0.00 -1.16 0.00 0.00 60.37 59.23 1xnb h HIS 149 Cb 0.24 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.59 1xnb h HIS 149 CO 0.01 0.95 0.39 0.28 0.86 0.00 0.00 177.93 180.42 1xnb h VAL 150 N -0.12 1.01 -0.42 2.45 2.07 -1.10 0.12 116.25 120.27 1xnb h VAL 150 Ca -0.02 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1xnb h VAL 150 Cb 0.99 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1xnb h VAL 150 CO 0.07 0.13 -0.13 0.78 0.02 0.00 0.00 177.57 178.45 1xnb h ASN 151 N 0.73 0.83 -0.70 0.57 2.35 -1.20 -0.68 115.58 117.49 1xnb h ASN 151 Ca 0.29 -0.37 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 1xnb h ASN 151 Cb 0.12 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 1xnb h ASN 151 CO -0.15 1.02 0.14 0.00 -1.65 0.00 0.00 177.43 176.79 1xnb h ALA 152 N 0.84 0.92 -0.55 -0.83 0.00 -0.94 -2.13 119.26 116.57 1xnb h ALA 152 Ca 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1xnb h ALA 152 Cb 0.67 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1xnb h ALA 152 CO 0.05 0.67 0.23 -1.49 0.00 0.00 0.00 179.25 178.71 1xnb h TRP 153 N 1.07 0.83 -0.85 0.00 6.55 -0.56 -2.55 115.95 120.44 1xnb h TRP 153 Ca 0.21 -0.06 0.03 0.00 0.95 0.00 0.00 58.89 60.03 1xnb h TRP 153 Cb 0.41 -0.25 -0.05 0.00 -0.86 0.00 0.00 29.16 28.41 1xnb h TRP 153 CO 0.03 0.67 0.56 -0.22 -1.05 0.00 0.00 178.44 178.43 1xnb h LYS 154 N 0.75 1.02 0.00 0.49 3.64 -0.85 -0.20 116.57 121.41 1xnb h LYS 154 Ca 0.18 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1xnb h LYS 154 Cb 0.18 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1xnb h LYS 154 CO -0.02 0.68 0.00 0.66 -2.27 0.00 0.00 179.45 178.50 1xnb h SER 155 N 1.05 0.00 -0.41 4.20 4.64 -0.96 -1.61 113.55 120.47 1xnb h SER 155 Ca 0.34 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.59 1xnb h SER 155 Cb 0.03 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 1xnb h SER 155 CO -0.10 0.00 0.04 1.41 -0.87 0.00 0.00 176.83 177.31 1xnb n HIS 156 N -2.94 1.40 -1.24 4.77 8.25 -0.37 -4.95 115.22 120.14 1xnb n HIS 156 Ca -0.01 -1.03 -0.08 0.00 -0.26 0.00 0.00 57.72 56.34 1xnb n HIS 156 Cb 0.19 -0.44 -0.04 0.00 1.12 0.00 0.00 29.99 30.82 1xnb n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xnb n GLY 157 N -0.40 1.02 3.31 -1.41 0.00 -0.60 -4.97 105.19 102.13 1xnb n GLY 157 Ca 0.28 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 1xnb n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xnb s MET 158 N -2.60 3.64 -0.11 1.61 -1.94 -0.23 -4.99 119.30 114.67 1xnb s MET 158 Ca 0.00 -2.65 -0.13 0.00 -1.71 0.00 0.00 55.69 51.20 1xnb s MET 158 Cb 0.00 -4.39 -0.05 0.00 2.01 0.00 0.00 34.83 32.40 1xnb s MET 158 CO 0.00 -1.27 0.30 -0.80 -0.01 0.00 0.00 175.02 173.24 1xnb s ASN 159 N 1.80 6.53 0.67 3.03 -0.87 -1.26 -3.37 114.94 121.47 1xnb s ASN 159 Ca 0.21 0.62 -0.11 0.00 -1.57 0.00 0.00 52.86 52.01 1xnb s ASN 159 Cb -0.11 -2.18 -0.01 0.00 -0.02 0.00 0.00 41.25 38.93 1xnb s ASN 159 CO -0.08 0.21 1.06 -0.76 -2.57 0.00 0.00 177.10 174.96 1xnb s LEU 160 N -0.20 3.06 0.96 0.60 1.43 -1.26 -4.95 118.68 118.30 1xnb s LEU 160 Ca 0.18 1.28 -0.12 0.00 -1.03 0.00 0.00 54.13 54.44 1xnb s LEU 160 Cb -0.14 -4.20 0.16 0.00 0.03 0.00 0.00 46.19 42.05 1xnb s LEU 160 CO 0.06 -1.13 1.10 -0.83 0.23 0.00 0.00 176.35 175.79 1xnb s GLY 161 N -4.26 1.58 0.15 -3.19 0.00 -1.26 -4.78 107.32 95.55 1xnb s GLY 161 Ca 0.57 -0.37 0.24 0.00 0.00 0.00 0.00 44.72 45.16 1xnb s GLY 161 CO 0.53 0.21 1.29 1.48 0.00 0.00 0.00 173.10 176.61 1xnb h SER 162 N -1.72 0.00 -3.60 1.64 4.64 -1.15 -3.44 113.55 109.92 1xnb h SER 162 Ca -0.53 -0.17 -0.70 0.00 -0.47 0.00 0.00 61.79 59.92 1xnb h SER 162 Cb 1.32 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.14 1xnb h SER 162 CO 0.58 0.08 -0.55 0.21 -0.87 0.00 0.00 176.83 176.29 1xnb s ASN 163 N -4.49 5.51 -0.03 4.97 3.04 -0.88 -4.99 114.94 118.07 1xnb s ASN 163 Ca 0.05 -1.18 -0.27 0.00 0.04 0.00 0.00 52.86 51.50 1xnb s ASN 163 Cb 0.12 -1.94 -0.03 0.00 -1.54 0.00 0.00 41.25 37.86 1xnb s ASN 163 CO 0.73 -0.39 0.84 0.26 -3.04 0.00 0.00 177.10 175.50 1xnb s TRP 164 N 1.45 3.62 0.00 0.43 0.52 -1.26 -0.10 118.94 123.60 1xnb s TRP 164 Ca 0.00 1.47 0.00 0.00 0.02 0.00 0.00 56.10 57.60 1xnb s TRP 164 Cb -0.20 -2.96 0.00 0.00 -1.15 0.00 0.00 33.47 29.16 1xnb s TRP 164 CO 0.04 0.04 0.00 0.00 0.02 0.00 0.00 176.95 177.05 1xnb n ALA 165 N 3.82 0.00 -0.95 0.98 0.00 -0.61 -4.50 120.51 119.24 1xnb n ALA 165 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 1xnb n ALA 165 Cb 0.51 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.11 1xnb n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xnb s TYR 166 N 2.17 2.02 -0.16 0.00 -0.85 -1.09 -0.26 117.35 119.18 1xnb s TYR 166 Ca 0.00 1.52 -0.04 0.00 -0.52 0.00 0.00 57.07 58.03 1xnb s TYR 166 Cb 0.00 -3.19 0.08 0.00 0.38 0.00 0.00 41.96 39.23 1xnb s TYR 166 CO 0.00 -2.57 0.22 -1.14 -1.52 0.00 0.00 175.55 170.54 1xnb s GLN 167 N -4.76 0.15 0.09 -3.49 0.74 -0.41 -2.75 119.66 109.22 1xnb s GLN 167 Ca 0.65 0.42 0.01 0.00 0.05 0.00 0.00 55.36 56.49 1xnb s GLN 167 Cb -0.20 -0.71 -0.04 0.00 1.10 0.00 0.00 33.01 33.15 1xnb s GLN 167 CO 0.58 -0.49 -0.06 0.14 -0.55 0.00 0.00 175.29 174.91 1xnb s VAL 168 N 2.35 0.62 -0.40 1.34 -7.23 0.18 -0.69 120.40 116.57 1xnb s VAL 168 Ca 0.05 -1.91 -0.17 0.00 -1.81 0.00 0.00 61.98 58.14 1xnb s VAL 168 Cb -0.14 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.16 1xnb s VAL 168 CO -0.10 -0.89 0.45 -0.32 -0.31 0.00 0.00 175.10 173.94 1xnb s MET 169 N -3.82 3.28 0.34 4.82 1.75 -0.55 -0.24 119.30 124.88 1xnb s MET 169 Ca 0.11 -0.57 0.09 0.00 -1.25 0.00 0.00 55.69 54.07 1xnb s MET 169 Cb 0.06 -3.91 -0.06 0.00 2.84 0.00 0.00 34.83 33.76 1xnb s MET 169 CO -0.05 -0.77 -0.04 0.00 -0.65 0.00 0.00 175.02 173.50 1xnb s ALA 170 N 2.21 3.09 -0.22 4.11 0.00 0.68 -3.16 121.76 128.48 1xnb s ALA 170 Ca 0.14 -2.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.08 1xnb s ALA 170 Cb -0.16 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1xnb s ALA 170 CO 0.14 0.08 -0.10 0.99 0.00 0.00 0.00 175.76 176.87 1xnb s THR 171 N -2.55 2.77 -0.05 0.00 2.01 0.18 -1.33 115.64 116.68 1xnb s THR 171 Ca 0.34 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.55 1xnb s THR 171 Cb 0.01 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1xnb s THR 171 CO 0.18 0.37 -0.22 -0.70 -0.69 0.00 0.00 174.62 173.56 1xnb s GLU 172 N 1.36 2.43 0.11 4.92 2.12 -0.62 -1.45 118.70 127.57 1xnb s GLU 172 Ca 0.03 -0.85 0.03 0.00 0.36 0.00 0.00 54.97 54.54 1xnb s GLU 172 Cb -0.15 -2.20 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 1xnb s GLU 172 CO -0.07 0.49 -0.09 0.20 -0.54 0.00 0.00 175.26 175.25 1xnb s GLY 173 N -0.43 0.88 -0.15 -1.50 0.00 -0.81 -0.23 107.32 105.10 1xnb s GLY 173 Ca 0.04 -1.29 -0.04 0.00 0.00 0.00 0.00 44.72 43.43 1xnb s GLY 173 CO 0.01 -1.38 0.17 -0.47 0.00 0.00 0.00 173.10 171.44 1xnb s TYR 174 N -2.88 -0.15 -1.24 1.90 5.04 -0.90 -2.42 117.35 116.69 1xnb s TYR 174 Ca 0.09 0.30 -0.24 0.00 -2.44 0.00 0.00 57.07 54.78 1xnb s TYR 174 Cb 0.00 -0.38 0.02 0.00 0.35 0.00 0.00 41.96 41.95 1xnb s TYR 174 CO -0.01 -0.45 0.63 1.04 -1.34 0.00 0.00 175.55 175.43 1xnb n GLN 175 N 5.32 -0.91 -2.12 4.97 6.02 -0.47 -4.40 117.38 125.78 1xnb n GLN 175 Ca -0.05 0.23 -0.04 0.00 -0.01 0.00 0.00 57.00 57.13 1xnb n GLN 175 Cb 0.50 -3.33 -0.01 0.00 1.02 0.00 0.00 30.24 28.42 1xnb n GLN 175 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1xnb n SER 176 N -2.47 -0.39 -4.07 1.08 3.41 -1.26 -4.72 113.62 105.21 1xnb n SER 176 Ca -0.14 -1.48 -0.07 0.00 -0.26 0.00 0.00 58.87 56.92 1xnb n SER 176 Cb 0.60 0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 65.15 1xnb n SER 176 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xnb s SER 177 N -1.56 0.45 0.00 4.04 0.01 -1.24 -1.66 113.70 113.74 1xnb s SER 177 Ca 0.07 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1xnb s SER 177 Cb -0.00 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1xnb s SER 177 CO 0.05 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 173.71 1xnb n GLY 178 N 0.14 -1.34 3.20 3.44 0.00 -0.22 -0.31 105.19 110.09 1xnb n GLY 178 Ca -0.14 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1xnb n GLY 178 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnb s SER 179 N -4.00 -0.16 0.02 1.61 0.01 -0.82 -1.17 113.70 109.20 1xnb s SER 179 Ca 0.00 0.09 -0.16 0.00 1.31 0.00 0.00 55.95 57.18 1xnb s SER 179 Cb 0.00 0.33 0.03 0.00 0.21 0.00 0.00 66.02 66.58 1xnb s SER 179 CO 0.00 -0.38 0.36 -0.94 0.41 0.00 0.00 173.24 172.69 1xnb s SER 180 N -1.14 -0.22 -0.15 2.44 1.04 -0.55 -0.82 113.70 114.30 1xnb s SER 180 Ca -0.12 -0.00 -0.04 0.00 0.48 0.00 0.00 55.95 56.27 1xnb s SER 180 Cb -0.05 0.37 0.07 0.00 0.10 0.00 0.00 66.02 66.51 1xnb s SER 180 CO 0.03 -0.58 0.25 0.21 0.98 0.00 0.00 173.24 174.14 1xnb s ASN 181 N -1.77 0.60 0.01 7.02 3.84 -0.25 -1.29 114.94 123.10 1xnb s ASN 181 Ca -0.08 0.37 0.02 0.00 0.21 0.00 0.00 52.86 53.38 1xnb s ASN 181 Cb -0.02 0.63 -0.01 0.00 -0.55 0.00 0.00 41.25 41.30 1xnb s ASN 181 CO 0.00 -0.26 -0.08 -0.69 -2.79 0.00 0.00 177.10 173.28 1xnb s VAL 182 N 2.40 0.61 -0.12 -5.21 1.01 -0.46 -0.79 120.40 117.84 1xnb s VAL 182 Ca 0.03 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1xnb s VAL 182 Cb -0.13 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1xnb s VAL 182 CO -0.10 0.01 -0.23 -0.89 0.00 0.00 0.00 175.10 173.90 1xnb s THR 183 N -0.51 2.05 -0.03 3.92 2.01 -0.52 -1.08 115.64 121.48 1xnb s THR 183 Ca -0.00 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.07 1xnb s THR 183 Cb -0.05 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 1xnb s THR 183 CO 0.00 0.55 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.55 1xnb s VAL 184 N 0.56 2.22 0.00 3.82 1.01 -0.08 -1.22 120.40 126.72 1xnb s VAL 184 Ca -0.13 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1xnb s VAL 184 Cb -0.17 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.43 1xnb s VAL 184 CO 0.04 0.58 0.00 -2.67 0.00 0.00 0.00 175.10 173.05