#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vuj s THR 4 N 0.00 1.52 -0.19 -0.39 2.01 -0.61 -4.96 115.64 113.01 2vuj s THR 4 Ca 0.00 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.15 2vuj s THR 4 Cb 0.00 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 2vuj s THR 4 CO 0.00 0.29 0.06 0.00 -0.69 0.00 0.00 174.62 174.28 2vuj s LEU 6 N 0.47 2.31 0.00 0.00 1.43 0.50 -4.95 118.68 118.44 2vuj s LEU 6 Ca 0.03 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 2vuj s LEU 6 Cb -0.13 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 44.90 2vuj s LEU 6 CO 0.01 0.17 0.19 0.35 0.23 0.00 0.00 176.35 177.30 2vuj n THR 7 N 0.98 0.00 -4.10 5.49 -2.24 -1.26 -0.77 114.28 112.39 2vuj n THR 7 Ca -0.18 -0.34 -0.07 0.00 -2.27 0.00 0.00 64.05 61.19 2vuj n THR 7 Cb 0.53 1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 69.84 2vuj n THR 7 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2vuj s SER 8 N -0.30 0.46 -0.09 3.42 1.04 -1.26 -4.53 113.70 112.44 2vuj s SER 8 Ca 0.00 -1.03 -0.34 0.00 0.48 0.00 0.00 55.95 55.07 2vuj s SER 8 Cb 0.00 0.21 -0.16 0.00 0.10 0.00 0.00 66.02 66.17 2vuj s SER 8 CO 0.00 -0.62 0.97 -1.20 0.98 0.00 0.00 173.24 173.37 2vuj n SER 9 N 0.08 0.22 -3.64 7.02 7.64 -1.26 -4.96 113.62 118.73 2vuj n SER 9 Ca -0.13 0.95 -0.11 0.00 1.01 0.00 0.00 58.87 60.60 2vuj n SER 9 Cb 0.61 -0.74 -0.07 0.00 -1.01 0.00 0.00 64.21 63.00 2vuj n SER 9 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2vuj s GLN 10 N 0.57 0.64 0.21 1.43 0.74 0.21 -5.01 119.66 118.45 2vuj s GLN 10 Ca 0.77 0.80 0.08 0.00 0.05 0.00 0.00 55.36 57.06 2vuj s GLN 10 Cb -1.08 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 33.29 2vuj s GLN 10 CO 0.51 -0.08 -0.01 0.95 -0.55 0.00 0.00 175.29 176.11 2vuj s THR 11 N 0.44 3.57 -1.44 -0.34 -4.23 -1.26 -1.25 115.64 111.14 2vuj s THR 11 Ca 0.00 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2vuj s THR 11 Cb -0.05 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.96 2vuj s THR 11 CO -0.05 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 2vuj n GLY 12 N -0.38 -0.56 3.23 3.99 0.00 -0.65 -5.01 105.19 105.82 2vuj n GLY 12 Ca -0.09 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 2vuj n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vuj s THR 13 N -3.09 1.41 -0.20 2.61 -4.23 -1.26 -1.15 115.64 109.73 2vuj s THR 13 Ca 0.00 -1.48 -0.06 0.00 -1.18 0.00 0.00 61.69 58.97 2vuj s THR 13 Cb 0.00 -1.36 0.10 0.00 1.34 0.00 0.00 72.50 72.58 2vuj s THR 13 CO 0.00 -0.19 0.40 0.21 -0.54 0.00 0.00 174.62 174.50 2vuj s ASN 14 N -1.94 -0.08 -1.44 3.99 2.47 0.13 -4.95 114.94 113.12 2vuj s ASN 14 Ca 0.04 0.76 -0.07 0.00 0.42 0.00 0.00 52.86 54.01 2vuj s ASN 14 Cb -0.09 1.24 0.05 0.00 -1.45 0.00 0.00 41.25 40.99 2vuj s ASN 14 CO 0.03 -0.25 0.78 0.59 -3.72 0.00 0.00 177.10 174.54 2vuj n ASN 15 N 5.38 -2.71 0.00 -4.21 3.02 -1.26 -1.30 115.26 114.18 2vuj n ASN 15 Ca -0.07 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 2vuj n ASN 15 Cb 0.50 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 2vuj n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vuj n GLY 16 N -1.67 0.70 3.28 7.41 0.00 -1.26 -4.46 105.19 109.19 2vuj n GLY 16 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2vuj n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vuj s PHE 17 N -2.83 2.06 0.53 1.61 0.08 -0.42 -5.08 117.98 113.92 2vuj s PHE 17 Ca 0.00 -0.39 -0.18 0.00 0.12 0.00 0.00 56.93 56.48 2vuj s PHE 17 Cb 0.00 -1.26 -0.07 0.00 -0.57 0.00 0.00 43.02 41.12 2vuj s PHE 17 CO 0.00 0.06 1.04 -0.47 -0.10 0.00 0.00 175.22 175.76 2vuj s TYR 18 N -0.72 3.01 0.01 0.36 5.04 -0.43 0.22 117.35 124.84 2vuj s TYR 18 Ca 0.09 1.55 -0.02 0.00 -2.44 0.00 0.00 57.07 56.25 2vuj s TYR 18 Cb -0.09 -3.04 -0.01 0.00 0.35 0.00 0.00 41.96 39.17 2vuj s TYR 18 CO 0.01 -0.92 0.02 1.52 -1.34 0.00 0.00 175.55 174.84 2vuj s TYR 19 N -2.18 0.15 -0.01 4.97 -0.85 -0.30 -0.47 117.35 118.67 2vuj s TYR 19 Ca 0.66 -0.32 0.04 0.00 -0.52 0.00 0.00 57.07 56.93 2vuj s TYR 19 Cb -0.16 -0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.05 2vuj s TYR 19 CO 0.27 -0.18 -0.13 0.45 -1.52 0.00 0.00 175.55 174.43 2vuj s SER 20 N -1.17 1.59 -0.06 -0.18 0.15 -0.86 -1.63 113.70 111.53 2vuj s SER 20 Ca -0.13 -0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.25 2vuj s SER 20 Cb -0.08 -0.23 0.04 0.00 -1.71 0.00 0.00 66.02 64.05 2vuj s SER 20 CO -0.00 0.15 0.12 0.12 1.20 0.00 0.00 173.24 174.83 2vuj s PHE 21 N -0.23 -0.09 -0.01 3.44 5.36 -0.38 -0.38 117.98 125.69 2vuj s PHE 21 Ca 0.04 0.45 0.02 0.00 -0.96 0.00 0.00 56.93 56.47 2vuj s PHE 21 Cb -0.06 -0.30 -0.00 0.00 -0.34 0.00 0.00 43.02 42.32 2vuj s PHE 21 CO -0.00 -0.22 -0.06 -0.46 -1.46 0.00 0.00 175.22 173.02 2vuj s TRP 22 N 1.98 0.57 -0.04 10.12 -0.00 0.90 -0.62 118.94 131.86 2vuj s TRP 22 Ca 0.01 -0.11 -0.09 0.00 -0.00 0.00 0.00 56.10 55.91 2vuj s TRP 22 Cb -0.12 -0.37 0.01 0.00 -0.00 0.00 0.00 33.47 32.99 2vuj s TRP 22 CO -0.05 -0.01 0.20 -1.59 -0.00 0.00 0.00 176.95 175.50 2vuj s LYS 23 N -0.13 0.41 1.02 5.86 -2.85 -1.26 -1.11 119.74 121.68 2vuj s LYS 23 Ca 0.02 -0.07 -0.17 0.00 -1.00 0.00 0.00 55.97 54.75 2vuj s LYS 23 Cb -0.03 0.18 0.24 0.00 -2.06 0.00 0.00 37.83 36.17 2vuj s LYS 23 CO -0.00 -0.09 1.23 -0.40 0.10 0.00 0.00 175.35 176.19 2vuj n ASP 24 N 2.07 -0.50 -0.11 0.03 5.68 -1.00 -4.70 116.55 118.02 2vuj n ASP 24 Ca -0.18 -1.38 -0.10 0.00 -0.50 0.00 0.00 54.79 52.63 2vuj n ASP 24 Cb 0.57 -0.99 -0.02 0.00 -1.14 0.00 0.00 41.12 39.54 2vuj n ASP 24 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2vuj h SER 25 N -1.98 0.45 -3.85 -1.12 4.64 -2.02 -3.46 113.55 106.21 2vuj h SER 25 Ca -0.41 -0.15 -0.56 0.00 -0.47 0.00 0.00 61.79 60.19 2vuj h SER 25 Cb 1.17 -0.12 0.16 0.00 -0.31 0.00 0.00 62.40 63.31 2vuj h SER 25 CO 0.29 0.48 0.37 -2.65 -0.87 0.00 0.00 176.83 174.45 2vuj n PRO 26 N -4.73 1.17 -0.02 4.77 -0.02 -1.26 -4.87 135.00 130.05 2vuj n PRO 26 Ca -0.01 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2vuj n PRO 26 Cb 0.13 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.22 2vuj n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vuj n GLY 27 N 1.03 -1.57 3.18 -1.23 0.00 -1.10 -4.04 105.19 101.46 2vuj n GLY 27 Ca 0.14 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 2vuj n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vuj s THR 28 N -0.04 1.88 -0.12 2.61 2.01 -0.56 -4.88 115.64 116.54 2vuj s THR 28 Ca 0.00 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.12 2vuj s THR 28 Cb 0.00 -1.63 0.01 0.00 0.01 0.00 0.00 72.50 70.88 2vuj s THR 28 CO 0.00 0.52 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.54 2vuj s VAL 29 N 0.43 1.95 -0.51 3.82 1.01 -1.26 -1.48 120.40 124.36 2vuj s VAL 29 Ca -0.17 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.76 2vuj s VAL 29 Cb -0.17 -1.71 0.13 0.00 0.00 0.00 0.00 36.38 34.62 2vuj s VAL 29 CO 0.07 0.53 0.41 0.20 0.00 0.00 0.00 175.10 176.32 2vuj s ASN 30 N 0.62 5.87 -0.39 3.32 0.02 0.22 -4.12 114.94 120.48 2vuj s ASN 30 Ca -0.13 -1.96 -0.06 0.00 -1.02 0.00 0.00 52.86 49.69 2vuj s ASN 30 Cb -0.17 -2.07 0.08 0.00 0.02 0.00 0.00 41.25 39.12 2vuj s ASN 30 CO 0.03 -0.72 0.19 0.12 0.02 0.00 0.00 177.10 176.74 2vuj s PHE 31 N 1.30 3.39 -0.20 2.20 5.36 80.09 -2.16 117.98 207.96 2vuj s PHE 31 Ca 0.06 -1.82 -0.03 0.00 -0.96 0.00 0.00 56.93 54.18 2vuj s PHE 31 Cb -0.26 -2.84 -0.01 0.00 -0.34 0.00 0.00 43.02 39.57 2vuj s PHE 31 CO -0.00 -0.87 -0.05 0.00 -1.46 0.00 0.00 175.22 172.84 2vuj s LEU 33 N 1.15 4.10 0.00 0.00 1.43 0.26 -1.02 118.68 124.59 2vuj s LEU 33 Ca 0.02 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 2vuj s LEU 33 Cb -0.14 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.05 2vuj s LEU 33 CO -0.01 -0.58 0.00 0.00 0.23 0.00 0.00 176.35 175.99 2vuj n GLN 34 N 6.12 1.07 -1.49 1.70 1.13 -0.41 -1.58 117.38 123.92 2vuj n GLN 34 Ca 0.03 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.75 2vuj n GLN 34 Cb 0.48 0.00 0.08 0.00 0.11 0.00 0.00 30.24 30.92 2vuj n GLN 34 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2vuj s SER 35 N -1.00 4.41 1.22 1.08 0.01 -1.26 -4.50 113.70 113.66 2vuj s SER 35 Ca 0.00 2.23 0.00 0.00 1.31 0.00 0.00 55.95 59.49 2vuj s SER 35 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2vuj s SER 35 CO 0.00 -2.11 0.00 0.61 0.41 0.00 0.00 173.24 172.15 2vuj n GLY 36 N 0.07 3.05 1.49 3.44 0.00 -1.26 -2.04 105.19 109.94 2vuj n GLY 36 Ca 0.12 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 46.00 2vuj n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vuj n GLY 37 N 0.00 2.55 3.80 -0.02 0.00 -1.26 -4.73 105.19 105.52 2vuj n GLY 37 Ca 0.00 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 2vuj n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vuj s ARG 38 N -2.24 3.96 0.05 1.61 3.52 -0.87 -1.05 118.95 123.94 2vuj s ARG 38 Ca 0.39 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 2vuj s ARG 38 Cb 0.29 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 30.35 2vuj s ARG 38 CO 0.11 0.52 -0.04 1.52 -0.81 0.00 0.00 175.30 176.60 2vuj s TYR 39 N -0.42 0.57 0.16 5.12 -0.85 -0.26 -1.29 117.35 120.38 2vuj s TYR 39 Ca 0.19 -0.86 0.09 0.00 -0.52 0.00 0.00 57.07 55.98 2vuj s TYR 39 Cb -0.14 -0.38 -0.04 0.00 0.38 0.00 0.00 41.96 41.78 2vuj s TYR 39 CO 0.08 -0.26 -0.21 0.95 -1.52 0.00 0.00 175.55 174.60 2vuj s THR 40 N -3.07 1.98 0.02 -3.49 -4.23 -0.19 -1.08 115.64 105.57 2vuj s THR 40 Ca 0.02 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 58.63 2vuj s THR 40 Cb 0.02 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.95 2vuj s THR 40 CO -0.06 -0.20 -0.01 -0.94 -0.54 0.00 0.00 174.62 172.88 2vuj s SER 41 N -2.51 0.23 0.02 3.99 1.04 0.04 -0.98 113.70 115.53 2vuj s SER 41 Ca 0.16 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2vuj s SER 41 Cb -0.07 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 2vuj s SER 41 CO 0.07 -0.33 -0.03 0.54 0.98 0.00 0.00 173.24 174.47 2vuj s ASN 42 N -1.55 0.29 0.04 7.02 2.20 -0.92 -0.99 114.94 121.03 2vuj s ASN 42 Ca -0.14 -0.47 -0.02 0.00 -0.94 0.00 0.00 52.86 51.29 2vuj s ASN 42 Cb -0.09 0.09 -0.03 0.00 -2.00 0.00 0.00 41.25 39.22 2vuj s ASN 42 CO -0.01 -0.27 0.01 -1.66 -2.94 0.00 0.00 177.10 172.22 2vuj s TRP 43 N -1.35 0.36 -0.29 1.54 -2.14 0.03 -1.55 118.94 115.53 2vuj s TRP 43 Ca -0.14 -0.77 -0.13 0.00 2.66 0.00 0.00 56.10 57.73 2vuj s TRP 43 Cb -0.09 -0.26 0.12 0.00 -3.10 0.00 0.00 33.47 30.13 2vuj s TRP 43 CO -0.01 -0.33 0.71 0.45 -2.66 0.00 0.00 176.95 175.11 2vuj s SER 44 N -2.31 -1.01 -1.78 -2.66 0.15 -0.55 -1.48 113.70 104.07 2vuj s SER 44 Ca -0.03 1.46 0.00 0.00 0.70 0.00 0.00 55.95 58.09 2vuj s SER 44 Cb 0.00 1.91 0.00 0.00 -1.71 0.00 0.00 66.02 66.23 2vuj s SER 44 CO -0.06 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2vuj n GLY 45 N 4.97 0.87 3.89 9.45 0.00 -1.23 -1.49 105.19 121.65 2vuj n GLY 45 Ca -0.15 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 2vuj n GLY 45 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2vuj s ILE 46 N -2.77 4.75 -0.15 -0.61 -5.25 -1.24 -2.70 121.20 113.23 2vuj s ILE 46 Ca 0.00 0.58 -0.10 0.00 -0.99 0.00 0.00 60.65 60.14 2vuj s ILE 46 Cb 0.00 -3.85 -0.05 0.00 2.95 0.00 0.00 42.46 41.51 2vuj s ILE 46 CO 0.00 -1.01 -0.10 -1.13 -1.79 0.00 0.00 174.94 170.91 2vuj h ASN 47 N -0.10 0.00 -4.08 4.36 -1.24 -1.89 -3.16 115.58 109.47 2vuj h ASN 47 Ca -0.45 -0.07 -0.08 0.00 0.71 0.00 0.00 56.30 56.40 2vuj h ASN 47 Cb 1.20 0.00 -0.22 0.00 0.73 0.00 0.00 38.32 40.03 2vuj h ASN 47 CO 0.62 0.83 -0.06 0.21 -1.29 0.00 0.00 177.43 177.74 2vuj s ASN 48 N -5.86 -0.56 -0.06 1.15 2.47 -1.26 -0.65 114.94 110.17 2vuj s ASN 48 Ca -0.15 1.03 -0.20 0.00 0.42 0.00 0.00 52.86 53.95 2vuj s ASN 48 Cb 0.02 1.04 0.04 0.00 -1.45 0.00 0.00 41.25 40.90 2vuj s ASN 48 CO 0.25 -0.24 0.45 -1.66 -3.72 0.00 0.00 177.10 172.18 2vuj s TRP 49 N 0.09 -0.39 -0.05 0.43 1.48 -1.00 -2.38 118.94 117.11 2vuj s TRP 49 Ca -0.02 0.71 -0.03 0.00 -1.06 0.00 0.00 56.10 55.71 2vuj s TRP 49 Cb -0.04 0.21 0.03 0.00 -1.16 0.00 0.00 33.47 32.51 2vuj s TRP 49 CO 0.02 -0.43 0.12 0.08 -4.06 0.00 0.00 176.95 172.68 2vuj s VAL 50 N -0.99 -0.03 -0.00 -0.66 1.01 -0.27 -1.77 120.40 117.69 2vuj s VAL 50 Ca -0.10 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 2vuj s VAL 50 Cb -0.03 -0.20 0.10 0.00 0.00 0.00 0.00 36.38 36.25 2vuj s VAL 50 CO 0.05 0.04 0.96 -0.83 0.00 0.00 0.00 175.10 175.33 2vuj s GLY 51 N 0.71 -0.40 0.00 4.51 0.00 -0.48 -0.07 107.32 111.59 2vuj s GLY 51 Ca -0.05 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.57 2vuj s GLY 51 CO -0.03 0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.97 2vuj n GLY 52 N -0.28 -2.00 3.77 0.20 0.00 0.48 -1.12 105.19 106.24 2vuj n GLY 52 Ca -0.07 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 2vuj n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vuj s LYS 53 N -1.89 2.77 0.00 1.61 1.02 -1.24 -2.02 119.74 119.99 2vuj s LYS 53 Ca 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.02 2vuj s LYS 53 Cb 0.00 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 2vuj s LYS 53 CO 0.00 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 2vuj n GLY 54 N -0.44 -0.29 3.10 -3.33 0.00 0.39 -1.15 105.19 103.47 2vuj n GLY 54 Ca -0.08 0.40 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 2vuj n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2vuj s TRP 55 N 0.00 1.19 0.33 1.61 0.51 -0.17 -1.32 118.94 121.10 2vuj s TRP 55 Ca 0.00 -0.23 0.01 0.00 -2.12 0.00 0.00 56.10 53.76 2vuj s TRP 55 Cb 0.00 -0.77 0.57 0.00 -0.81 0.00 0.00 33.47 32.46 2vuj s TRP 55 CO 0.00 -0.02 1.99 0.37 -0.51 0.00 0.00 176.95 178.78 2vuj h GLN 56 N 5.78 0.90 -4.03 4.98 4.15 -1.90 -0.53 115.11 124.46 2vuj h GLN 56 Ca -0.34 -0.06 -0.58 0.00 0.77 0.00 0.00 58.65 58.44 2vuj h GLN 56 Cb 1.16 -0.20 -0.39 0.00 0.21 0.00 0.00 27.48 28.27 2vuj h GLN 56 CO 0.49 0.61 -0.78 0.99 -1.93 0.00 0.00 178.83 178.21 2vuj s THR 57 N -5.74 1.14 0.87 2.39 2.01 -1.26 -2.56 115.64 112.50 2vuj s THR 57 Ca -0.10 -1.00 -0.12 0.00 0.31 0.00 0.00 61.69 60.77 2vuj s THR 57 Cb 0.17 -1.52 0.08 0.00 0.01 0.00 0.00 72.50 71.25 2vuj s THR 57 CO 0.77 -0.17 0.95 0.61 -0.69 0.00 0.00 174.62 176.09 2vuj n GLY 58 N 4.81 -0.71 0.00 4.40 0.00 0.13 -4.87 105.19 108.95 2vuj n GLY 58 Ca -0.10 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2vuj n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vuj n SER 59 N -2.89 0.00 -0.66 1.61 3.41 -1.26 -4.77 113.62 109.06 2vuj n SER 59 Ca 0.11 -1.00 0.01 0.00 -0.26 0.00 0.00 58.87 57.74 2vuj n SER 59 Cb 0.52 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.53 2vuj n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2vuj n ARG 60 N 0.00 1.62 -1.62 4.33 1.74 -1.26 -4.89 116.66 116.58 2vuj n ARG 60 Ca 0.00 -0.54 -0.39 0.00 -0.77 0.00 0.00 57.85 56.15 2vuj n ARG 60 Cb 0.00 -1.54 0.04 0.00 -1.02 0.00 0.00 32.46 29.94 2vuj n ARG 60 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2vuj n ARG 61 N 0.07 1.09 -2.97 5.56 1.85 -1.26 -4.30 116.66 116.70 2vuj n ARG 61 Ca 0.05 0.41 -0.40 0.00 -1.00 0.00 0.00 57.85 56.90 2vuj n ARG 61 Cb 0.36 -2.15 -0.04 0.00 -1.05 0.00 0.00 32.46 29.58 2vuj n ARG 61 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2vuj s ASN 62 N -1.06 7.05 -0.22 2.89 0.01 -1.26 -3.91 114.94 118.44 2vuj s ASN 62 Ca 0.71 1.27 -0.04 0.00 -0.71 0.00 0.00 52.86 54.10 2vuj s ASN 62 Cb -0.46 -2.44 -0.00 0.00 0.41 0.00 0.00 41.25 38.76 2vuj s ASN 62 CO 0.51 -0.17 -0.05 -0.63 -1.51 0.00 0.00 177.10 175.24 2vuj s ILE 63 N 0.99 3.29 -0.15 0.60 1.01 -0.58 -4.40 121.20 121.96 2vuj s ILE 63 Ca 0.40 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 2vuj s ILE 63 Cb -0.18 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 2vuj s ILE 63 CO 0.19 0.41 0.01 -0.89 0.00 0.00 0.00 174.94 174.66 2vuj s THR 64 N 1.46 4.32 0.10 2.92 2.01 0.26 0.84 115.64 127.54 2vuj s THR 64 Ca 0.05 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2vuj s THR 64 Cb -0.14 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2vuj s THR 64 CO -0.04 0.51 -0.05 -0.72 -0.69 0.00 0.00 174.62 173.63 2vuj s TYR 65 N 0.09 0.84 0.07 4.92 1.13 -0.31 -0.93 117.35 123.16 2vuj s TYR 65 Ca 0.02 -0.97 -0.19 0.00 -1.41 0.00 0.00 57.07 54.52 2vuj s TYR 65 Cb -0.13 -0.50 0.04 0.00 -1.10 0.00 0.00 41.96 40.27 2vuj s TYR 65 CO 0.02 -0.22 0.46 -1.54 -2.51 0.00 0.00 175.55 171.75 2vuj s SER 66 N -3.03 -0.34 0.00 -0.18 1.04 -0.91 -1.37 113.70 108.91 2vuj s SER 66 Ca 0.13 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2vuj s SER 66 Cb 0.06 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2vuj s SER 66 CO -0.05 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2vuj n GLY 67 N 0.24 0.57 3.20 7.32 0.00 -1.26 -1.62 105.19 113.64 2vuj n GLY 67 Ca -0.18 -1.40 -0.23 0.00 0.00 0.00 0.00 46.02 44.21 2vuj n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2vuj s SER 68 N -4.00 2.12 -0.08 1.61 0.15 -0.27 -4.82 113.70 108.41 2vuj s SER 68 Ca 0.00 -0.48 -0.03 0.00 0.70 0.00 0.00 55.95 56.13 2vuj s SER 68 Cb 0.00 -0.17 0.04 0.00 -1.71 0.00 0.00 66.02 64.19 2vuj s SER 68 CO 0.00 0.11 0.15 0.12 1.20 0.00 0.00 173.24 174.82 2vuj s PHE 69 N -0.80 -0.16 -0.25 3.44 5.36 -1.26 -1.00 117.98 123.31 2vuj s PHE 69 Ca 0.05 0.57 -0.01 0.00 -0.96 0.00 0.00 56.93 56.57 2vuj s PHE 69 Cb -0.08 -0.24 0.08 0.00 -0.34 0.00 0.00 43.02 42.44 2vuj s PHE 69 CO 0.01 -0.25 0.05 1.21 -1.46 0.00 0.00 175.22 174.79 2vuj s ASN 70 N 2.07 3.53 -0.38 6.13 3.84 -0.19 -5.00 114.94 124.94 2vuj s ASN 70 Ca 0.01 -1.22 0.01 0.00 0.21 0.00 0.00 52.86 51.86 2vuj s ASN 70 Cb -0.12 -0.79 0.14 0.00 -0.55 0.00 0.00 41.25 39.93 2vuj s ASN 70 CO -0.06 -0.34 0.22 -0.55 -2.79 0.00 0.00 177.10 173.58 2vuj s SER 71 N 1.69 3.18 0.40 -4.21 0.15 -1.26 -1.30 113.70 112.36 2vuj s SER 71 Ca 0.03 -2.33 0.16 0.00 0.70 0.00 0.00 55.95 54.51 2vuj s SER 71 Cb -0.17 -0.61 0.87 0.00 -1.71 0.00 0.00 66.02 64.40 2vuj s SER 71 CO -0.15 -0.30 1.87 -0.65 1.20 0.00 0.00 173.24 175.21 2vuj h PRO 72 N 6.92 0.00 0.00 5.44 0.11 -1.97 -3.37 132.00 139.13 2vuj h PRO 72 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2vuj h PRO 72 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2vuj h PRO 72 CO 0.33 0.31 0.00 0.41 -0.21 0.00 0.00 178.00 178.85 2vuj n GLY 73 N -0.44 3.08 3.59 -0.55 0.00 -1.26 -4.13 105.19 105.48 2vuj n GLY 73 Ca -0.02 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 2vuj n GLY 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2vuj s ASN 74 N -0.26 6.60 0.17 1.61 3.84 -1.26 -0.14 114.94 125.50 2vuj s ASN 74 Ca 0.00 0.36 -0.13 0.00 0.21 0.00 0.00 52.86 53.31 2vuj s ASN 74 Cb 0.00 -2.50 0.01 0.00 -0.55 0.00 0.00 41.25 38.21 2vuj s ASN 74 CO 0.00 -1.12 0.38 -0.83 -2.79 0.00 0.00 177.10 172.74 2vuj s GLY 75 N 2.29 0.20 0.12 1.21 0.00 -1.26 -0.62 107.32 109.25 2vuj s GLY 75 Ca 0.42 -0.57 0.05 0.00 0.00 0.00 0.00 44.72 44.62 2vuj s GLY 75 CO 0.28 -0.58 -0.12 -0.19 0.00 0.00 0.00 173.10 172.48 2vuj s TYR 76 N -3.92 1.27 -0.17 1.90 2.02 0.10 -0.80 117.35 117.75 2vuj s TYR 76 Ca 0.13 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 2vuj s TYR 76 Cb 0.02 -0.67 0.04 0.00 -0.40 0.00 0.00 41.96 40.94 2vuj s TYR 76 CO -0.02 0.09 -0.09 -1.17 -1.57 0.00 0.00 175.55 172.79 2vuj s LEU 77 N -2.55 1.86 -0.17 -1.29 2.96 -0.38 -1.37 118.68 117.74 2vuj s LEU 77 Ca 0.09 -0.71 -0.22 0.00 -0.22 0.00 0.00 54.13 53.07 2vuj s LEU 77 Cb -0.03 -1.07 0.06 0.00 0.50 0.00 0.00 46.19 45.64 2vuj s LEU 77 CO 0.02 -0.15 0.58 0.00 -1.32 0.00 0.00 176.35 175.48 2vuj s ALA 78 N 1.52 -1.46 0.27 5.97 0.00 -0.45 -1.32 121.76 126.29 2vuj s ALA 78 Ca 0.01 1.49 -0.30 0.00 0.00 0.00 0.00 51.96 53.16 2vuj s ALA 78 Cb -0.15 -0.71 -0.11 0.00 0.00 0.00 0.00 23.12 22.15 2vuj s ALA 78 CO -0.08 -0.29 1.50 -1.17 0.00 0.00 0.00 175.76 175.71 2vuj s LEU 79 N -0.10 4.37 -0.13 0.00 2.96 -0.14 0.06 118.68 125.70 2vuj s LEU 79 Ca -0.03 2.78 -0.08 0.00 -0.22 0.00 0.00 54.13 56.57 2vuj s LEU 79 Cb -0.03 -3.63 0.04 0.00 0.50 0.00 0.00 46.19 43.07 2vuj s LEU 79 CO 0.03 -0.79 0.31 -0.47 -1.32 0.00 0.00 176.35 174.11 2vuj s TYR 80 N 0.00 -0.40 0.06 5.38 5.04 0.14 -0.50 117.35 127.07 2vuj s TYR 80 Ca 0.61 0.93 -0.05 0.00 -2.44 0.00 0.00 57.07 56.12 2vuj s TYR 80 Cb -0.44 0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.01 2vuj s TYR 80 CO 0.45 -0.24 0.22 0.41 -1.34 0.00 0.00 175.55 175.06 2vuj n GLY 81 N 3.78 1.33 3.09 8.97 0.00 -0.81 0.10 105.19 121.64 2vuj n GLY 81 Ca -0.21 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 2vuj n GLY 81 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2vuj s TRP 82 N -5.81 0.72 0.27 1.61 0.52 -0.81 -1.07 118.94 114.37 2vuj s TRP 82 Ca 0.05 -0.58 0.07 0.00 0.02 0.00 0.00 56.10 55.66 2vuj s TRP 82 Cb -0.01 -0.43 -0.06 0.00 -1.15 0.00 0.00 33.47 31.83 2vuj s TRP 82 CO 0.02 -0.10 -0.09 0.95 0.02 0.00 0.00 176.95 177.75 2vuj s THR 83 N -1.84 1.77 0.26 2.01 -4.23 -0.17 -0.72 115.64 112.73 2vuj s THR 83 Ca -0.05 -2.17 0.11 0.00 -1.18 0.00 0.00 61.69 58.40 2vuj s THR 83 Cb -0.07 -2.37 -0.05 0.00 1.34 0.00 0.00 72.50 71.35 2vuj s THR 83 CO -0.01 -0.36 -0.16 0.42 -0.54 0.00 0.00 174.62 173.98 2vuj s THR 84 N -2.94 2.71 -0.86 3.99 -4.23 0.12 -1.30 115.64 113.13 2vuj s THR 84 Ca 0.28 -2.23 -0.04 0.00 -1.18 0.00 0.00 61.69 58.52 2vuj s THR 84 Cb 0.02 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.45 2vuj s THR 84 CO 0.11 -0.35 0.66 -3.20 -0.54 0.00 0.00 174.62 171.30 2vuj n ASN 85 N -0.56 -5.72 -4.79 3.99 5.15 -1.26 -0.66 115.26 111.40 2vuj n ASN 85 Ca -0.06 -0.73 -0.35 0.00 -0.60 0.00 0.00 54.58 52.83 2vuj n ASN 85 Cb 0.59 -2.92 -0.03 0.00 -0.53 0.00 0.00 39.78 36.89 2vuj n ASN 85 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2vuj s PRO 86 N -4.63 3.78 -0.20 1.20 0.04 -1.26 -4.26 135.00 129.67 2vuj s PRO 86 Ca 0.08 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 2vuj s PRO 86 Cb -0.03 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2vuj s PRO 86 CO 0.85 -0.47 1.73 -1.17 0.04 0.00 0.00 177.00 177.98 2vuj s LEU 87 N -3.32 3.87 -0.03 -3.56 0.20 -1.26 -4.21 118.68 110.38 2vuj s LEU 87 Ca 0.66 1.73 0.02 0.00 0.69 0.00 0.00 54.13 57.22 2vuj s LEU 87 Cb -0.20 -3.53 0.01 0.00 -0.43 0.00 0.00 46.19 42.04 2vuj s LEU 87 CO 0.25 -1.35 -0.07 -0.69 -0.29 0.00 0.00 176.35 174.20 2vuj s VAL 88 N 5.59 0.62 -0.23 1.68 1.01 -0.42 -3.56 120.40 125.08 2vuj s VAL 88 Ca 0.77 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.44 2vuj s VAL 88 Cb -0.27 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 2vuj s VAL 88 CO 0.31 0.21 0.03 -0.70 0.00 0.00 0.00 175.10 174.96 2vuj s GLU 89 N 0.40 3.59 0.20 2.72 2.12 -1.11 -1.00 118.70 125.63 2vuj s GLU 89 Ca -0.06 -0.51 0.11 0.00 0.36 0.00 0.00 54.97 54.87 2vuj s GLU 89 Cb -0.10 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 2vuj s GLU 89 CO 0.00 -0.16 -0.23 1.52 -0.54 0.00 0.00 175.26 175.85 2vuj s TYR 90 N 1.48 2.31 -0.01 5.30 -0.85 -0.23 -1.91 117.35 123.43 2vuj s TYR 90 Ca 0.06 -0.35 0.01 0.00 -0.52 0.00 0.00 57.07 56.27 2vuj s TYR 90 Cb -0.15 -1.12 0.00 0.00 0.38 0.00 0.00 41.96 41.07 2vuj s TYR 90 CO 0.02 0.53 -0.04 0.71 -1.52 0.00 0.00 175.55 175.24 2vuj s TYR 91 N -1.78 0.43 -0.30 -3.49 2.02 -0.47 -1.93 117.35 111.83 2vuj s TYR 91 Ca 0.22 -0.08 0.03 0.00 -0.37 0.00 0.00 57.07 56.87 2vuj s TYR 91 Cb -0.08 -0.31 0.08 0.00 -0.40 0.00 0.00 41.96 41.25 2vuj s TYR 91 CO 0.11 -0.03 -0.02 0.08 -1.57 0.00 0.00 175.55 174.11 2vuj s VAL 92 N 0.08 2.20 -0.33 0.71 1.01 0.35 -1.64 120.40 122.78 2vuj s VAL 92 Ca -0.00 -2.00 -0.19 0.00 0.00 0.00 0.00 61.98 59.78 2vuj s VAL 92 Cb -0.04 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 2vuj s VAL 92 CO -0.00 -0.34 0.55 -0.69 0.00 0.00 0.00 175.10 174.62 2vuj s VAL 93 N 1.01 4.99 -0.18 2.92 1.01 0.14 -0.97 120.40 129.31 2vuj s VAL 93 Ca 0.02 0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.54 2vuj s VAL 93 Cb -0.19 -3.97 -0.22 0.00 0.00 0.00 0.00 36.38 32.00 2vuj s VAL 93 CO -0.07 -0.17 0.10 0.47 0.00 0.00 0.00 175.10 175.43 2vuj n ASP 94 N 5.78 1.88 -4.28 3.32 9.92 -0.43 -1.19 116.55 131.55 2vuj n ASP 94 Ca -0.04 0.05 -0.15 0.00 -0.53 0.00 0.00 54.79 54.13 2vuj n ASP 94 Cb 0.49 -0.52 -0.10 0.00 -0.64 0.00 0.00 41.12 40.35 2vuj n ASP 94 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2vuj s SER 95 N -6.67 1.16 0.29 -2.24 0.15 -1.08 -0.41 113.70 104.90 2vuj s SER 95 Ca -0.26 -1.30 -0.13 0.00 0.70 0.00 0.00 55.95 54.95 2vuj s SER 95 Cb 0.08 0.15 0.01 0.00 -1.71 0.00 0.00 66.02 64.55 2vuj s SER 95 CO 0.70 -0.67 0.57 -1.66 1.20 0.00 0.00 173.24 173.38 2vuj s TRP 96 N -3.73 0.33 0.00 3.44 -2.14 -1.26 -1.25 118.94 114.33 2vuj s TRP 96 Ca 0.32 -0.73 0.00 0.00 2.66 0.00 0.00 56.10 58.35 2vuj s TRP 96 Cb 0.07 0.35 0.00 0.00 -3.10 0.00 0.00 33.47 30.79 2vuj s TRP 96 CO 0.10 -1.15 0.00 0.41 -2.66 0.00 0.00 176.95 173.65 2vuj n GLY 97 N -0.45 0.39 0.19 3.67 0.00 0.01 -4.91 105.19 104.10 2vuj n GLY 97 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 2vuj n GLY 97 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2vuj h SER 98 N 0.00 0.00 -3.12 1.61 4.64 -0.69 -3.43 113.55 112.55 2vuj h SER 98 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 2vuj h SER 98 Cb 0.00 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.69 2vuj h SER 98 CO 0.00 0.00 -0.75 0.86 -0.87 0.00 0.00 176.83 176.07 2vuj s TRP 99 N -3.43 0.26 -0.09 4.77 -0.00 -1.26 -4.98 118.94 114.21 2vuj s TRP 99 Ca 0.04 -0.25 -0.30 0.00 -0.00 0.00 0.00 56.10 55.59 2vuj s TRP 99 Cb 0.09 -0.69 -0.03 0.00 -0.00 0.00 0.00 33.47 32.84 2vuj s TRP 99 CO 0.47 -0.46 1.36 0.50 -0.00 0.00 0.00 176.95 178.83 2vuj s ARG 100 N 2.11 4.26 0.80 5.86 3.52 -1.26 -4.84 118.95 129.39 2vuj s ARG 100 Ca 0.02 1.83 -0.12 0.00 -0.13 0.00 0.00 55.73 57.34 2vuj s ARG 100 Cb -0.15 -3.72 0.07 0.00 -1.56 0.00 0.00 34.95 29.59 2vuj s ARG 100 CO -0.08 -0.66 1.14 -1.25 -0.81 0.00 0.00 175.30 173.64 2vuj s PRO 101 N 3.11 2.07 0.00 5.12 0.04 -1.26 -3.68 135.00 140.40 2vuj s PRO 101 Ca 0.61 0.33 0.24 0.00 0.04 0.00 0.00 61.00 62.21 2vuj s PRO 101 Cb -0.27 -1.94 1.02 0.00 0.04 0.00 0.00 34.50 33.35 2vuj s PRO 101 CO 0.21 -1.57 1.71 -0.35 0.04 0.00 0.00 177.00 177.05 2vuj n PRO 102 N -3.34 1.52 0.00 0.56 -0.04 -1.26 -4.93 135.00 127.51 2vuj n PRO 102 Ca 0.07 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 2vuj n PRO 102 Cb 0.59 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 2vuj n PRO 102 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2vuj n GLY 103 N 1.08 -2.12 0.30 0.55 0.00 -1.24 -4.32 105.19 99.43 2vuj n GLY 103 Ca 0.17 -1.46 0.17 0.00 0.00 0.00 0.00 46.02 44.90 2vuj n GLY 103 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2vuj h SER 104 N 0.00 0.00 0.27 1.61 4.64 -1.99 -0.20 113.55 117.88 2vuj h SER 104 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vuj h SER 104 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2vuj h SER 104 CO 0.00 0.04 0.00 0.44 -0.87 0.00 0.00 176.83 176.44 2vuj h ASP 105 N 0.00 0.00 -3.45 4.97 3.32 -1.98 -3.44 116.42 115.84 2vuj h ASP 105 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2vuj h ASP 105 Cb 0.13 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2vuj h ASP 105 CO 0.00 0.00 0.11 -0.83 -1.72 0.00 0.00 179.24 176.81 2vuj s GLY 106 N -4.06 2.81 -0.28 2.75 0.00 -0.09 -4.52 107.32 103.93 2vuj s GLY 106 Ca -0.03 0.24 -0.10 0.00 0.00 0.00 0.00 44.72 44.84 2vuj s GLY 106 CO 0.42 0.71 0.16 -1.59 0.00 0.00 0.00 173.10 172.79 2vuj s THR 107 N -1.20 4.98 0.03 0.90 2.01 0.07 -4.93 115.64 117.51 2vuj s THR 107 Ca 0.35 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 2vuj s THR 107 Cb -0.21 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2vuj s THR 107 CO 0.24 0.26 1.17 0.12 -0.69 0.00 0.00 174.62 175.71 2vuj s PHE 108 N 1.71 3.40 -0.06 4.92 5.36 -1.26 -1.60 117.98 130.44 2vuj s PHE 108 Ca 0.07 1.33 0.02 0.00 -0.96 0.00 0.00 56.93 57.39 2vuj s PHE 108 Cb -0.16 -3.39 -0.03 0.00 -0.34 0.00 0.00 43.02 39.11 2vuj s PHE 108 CO 0.09 -1.14 0.08 1.28 -1.46 0.00 0.00 175.22 174.07 2vuj n LEU 109 N 4.23 0.06 0.00 6.12 4.77 0.19 -4.99 117.00 127.38 2vuj n LEU 109 Ca 0.09 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2vuj n LEU 109 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2vuj n LEU 109 CO 0.55 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2vuj n GLY 110 N 1.63 0.74 3.30 -0.72 0.00 -1.25 -5.00 105.19 103.90 2vuj n GLY 110 Ca 0.00 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 2vuj n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vuj s THR 111 N -2.84 1.01 -0.03 2.61 -4.23 -1.26 -0.34 115.64 110.56 2vuj s THR 111 Ca 0.00 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.47 2vuj s THR 111 Cb 0.00 -2.23 0.02 0.00 1.34 0.00 0.00 72.50 71.63 2vuj s THR 111 CO 0.00 -0.42 0.05 0.54 -0.54 0.00 0.00 174.62 174.26 2vuj s VAL 112 N -3.44 -0.03 -0.22 2.29 0.11 -0.63 -4.93 120.40 113.55 2vuj s VAL 112 Ca 0.26 0.11 -0.15 0.00 -2.93 0.00 0.00 61.98 59.27 2vuj s VAL 112 Cb 0.05 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.76 2vuj s VAL 112 CO 0.07 0.04 0.36 0.20 -3.33 0.00 0.00 175.10 172.44 2vuj s ASN 113 N 0.60 6.35 -0.16 3.54 0.01 -1.26 -1.13 114.94 122.89 2vuj s ASN 113 Ca -0.05 0.41 -0.16 0.00 -0.71 0.00 0.00 52.86 52.35 2vuj s ASN 113 Cb -0.07 -2.21 0.04 0.00 0.41 0.00 0.00 41.25 39.43 2vuj s ASN 113 CO -0.02 -0.08 0.44 -0.55 -1.51 0.00 0.00 177.10 175.38 2vuj s SER 114 N 1.18 -0.45 -1.59 -1.22 0.15 -0.15 -4.95 113.70 106.67 2vuj s SER 114 Ca 0.16 0.84 -0.14 0.00 0.70 0.00 0.00 55.95 57.52 2vuj s SER 114 Cb -0.15 0.87 0.11 0.00 -1.71 0.00 0.00 66.02 65.13 2vuj s SER 114 CO 0.08 -0.19 0.86 0.47 1.20 0.00 0.00 173.24 175.67 2vuj n ASP 115 N 2.69 -3.81 0.00 5.45 8.00 -1.26 -1.18 116.55 126.44 2vuj n ASP 115 Ca -0.14 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.47 2vuj n ASP 115 Cb 0.57 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 2vuj n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vuj n GLY 116 N -1.59 0.48 3.49 0.44 0.00 -1.26 -4.93 105.19 101.83 2vuj n GLY 116 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2vuj n GLY 116 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vuj s GLY 117 N -2.00 1.83 -0.09 -0.02 0.00 -0.32 -5.14 107.32 101.57 2vuj s GLY 117 Ca 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 44.72 42.89 2vuj s GLY 117 CO 0.00 -1.88 -0.00 -1.59 0.00 0.00 0.00 173.10 169.62 2vuj s THR 118 N -2.36 4.29 -0.05 0.90 2.01 -1.26 -0.97 115.64 118.18 2vuj s THR 118 Ca 0.29 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.08 2vuj s THR 118 Cb -0.06 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 2vuj s THR 118 CO 0.15 0.60 -0.21 -0.31 -0.69 0.00 0.00 174.62 174.16 2vuj s TYR 119 N -0.83 2.05 0.16 4.92 2.02 -0.29 -0.87 117.35 124.52 2vuj s TYR 119 Ca 0.13 -0.61 -0.30 0.00 -0.37 0.00 0.00 57.07 55.92 2vuj s TYR 119 Cb -0.11 -1.36 -0.07 0.00 -0.40 0.00 0.00 41.96 40.01 2vuj s TYR 119 CO 0.02 -0.20 1.01 -0.51 -1.57 0.00 0.00 175.55 174.30 2vuj s ASP 120 N -0.03 7.44 -0.24 2.29 1.01 0.11 -1.61 116.67 125.65 2vuj s ASP 120 Ca -0.04 1.94 -0.11 0.00 0.71 0.00 0.00 52.55 55.04 2vuj s ASP 120 Cb -0.13 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.15 2vuj s ASP 120 CO 0.03 -0.08 0.19 -0.63 0.21 0.00 0.00 175.17 174.89 2vuj s ILE 121 N -0.33 5.34 0.08 0.77 1.01 0.53 -0.15 121.20 128.45 2vuj s ILE 121 Ca 0.47 0.23 0.06 0.00 0.00 0.00 0.00 60.65 61.40 2vuj s ILE 121 Cb -0.26 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2vuj s ILE 121 CO 0.32 0.32 -0.16 -0.31 0.00 0.00 0.00 174.94 175.11 2vuj s TYR 122 N 1.19 1.39 -0.10 3.97 2.02 0.53 -0.64 117.35 125.72 2vuj s TYR 122 Ca 0.08 -0.45 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 2vuj s TYR 122 Cb -0.14 -0.77 -0.01 0.00 -0.40 0.00 0.00 41.96 40.64 2vuj s TYR 122 CO 0.06 0.10 -0.21 0.50 -1.57 0.00 0.00 175.55 174.43 2vuj s ARG 123 N -1.81 3.01 0.27 -0.62 3.52 -0.63 -0.79 118.95 121.90 2vuj s ARG 123 Ca 0.01 -0.83 0.04 0.00 -0.13 0.00 0.00 55.73 54.81 2vuj s ARG 123 Cb -0.10 -2.35 -0.06 0.00 -1.56 0.00 0.00 34.95 30.88 2vuj s ARG 123 CO 0.03 0.24 0.02 0.00 -0.81 0.00 0.00 175.30 174.78 2vuj s ALA 124 N 0.21 2.08 -0.01 6.12 0.00 -0.43 -0.75 121.76 128.99 2vuj s ALA 124 Ca -0.13 -1.90 0.05 0.00 0.00 0.00 0.00 51.96 49.98 2vuj s ALA 124 Cb -0.16 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 2vuj s ALA 124 CO 0.07 -0.26 -0.16 -1.14 0.00 0.00 0.00 175.76 174.27 2vuj s GLN 125 N -3.86 1.31 -0.36 0.00 0.74 -1.26 0.24 119.66 116.47 2vuj s GLN 125 Ca 0.32 -0.61 -0.03 0.00 0.05 0.00 0.00 55.36 55.10 2vuj s GLN 125 Cb 0.07 -1.28 0.08 0.00 1.10 0.00 0.00 33.01 32.98 2vuj s GLN 125 CO 0.12 0.35 0.11 1.03 -0.55 0.00 0.00 175.29 176.35 2vuj s ARG 126 N -0.45 2.24 -0.08 1.67 1.81 0.48 -4.94 118.95 119.68 2vuj s ARG 126 Ca 0.06 -1.52 -0.07 0.00 -1.72 0.00 0.00 55.73 52.48 2vuj s ARG 126 Cb -0.06 -3.40 0.01 0.00 -0.45 0.00 0.00 34.95 31.04 2vuj s ARG 126 CO -0.00 -0.84 0.12 0.28 -0.68 0.00 0.00 175.30 174.17 2vuj n VAL 127 N 4.63 -0.71 -0.35 3.52 0.31 -1.26 -1.11 118.33 123.36 2vuj n VAL 127 Ca -0.08 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2vuj n VAL 127 Cb 0.43 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 2vuj n VAL 127 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2vuj n ASN 128 N 0.83 0.00 -4.22 4.52 5.15 -1.25 -4.79 115.26 115.50 2vuj n ASN 128 Ca -0.02 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.75 2vuj n ASN 128 Cb 0.13 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.25 2vuj n ASN 128 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vuj s ALA 129 N -0.05 1.48 0.27 5.20 0.00 -0.08 -4.78 121.76 123.80 2vuj s ALA 129 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 2vuj s ALA 129 Cb 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 23.12 22.80 2vuj s ALA 129 CO 0.00 0.28 1.58 -2.14 0.00 0.00 0.00 175.76 175.48 2vuj s PRO 130 N -1.57 4.15 0.33 0.00 0.02 -1.26 -0.48 135.00 136.18 2vuj s PRO 130 Ca 0.03 2.52 -0.02 0.00 0.02 0.00 0.00 61.00 63.56 2vuj s PRO 130 Cb -0.09 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.39 2vuj s PRO 130 CO 0.03 -0.60 0.46 -1.13 -0.33 0.00 0.00 177.00 175.42 2vuj n SER 131 N 2.42 -1.27 0.18 2.53 3.41 0.33 -4.92 113.62 116.30 2vuj n SER 131 Ca 0.09 -2.76 0.13 0.00 -0.26 0.00 0.00 58.87 56.07 2vuj n SER 131 Cb 0.38 2.37 0.61 0.00 -0.26 0.00 0.00 64.21 67.31 2vuj n SER 131 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2vuj h ILE 132 N 1.94 0.00 -0.13 -1.33 3.07 -1.99 -1.72 117.51 117.35 2vuj h ILE 132 Ca -0.25 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 65.99 2vuj h ILE 132 Cb 1.10 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.53 2vuj h ILE 132 CO 0.34 0.00 0.00 2.30 -1.05 0.00 0.00 178.15 179.74 2vuj n ILE 133 N -2.41 1.56 0.00 0.16 -5.35 -1.26 -5.11 119.36 106.94 2vuj n ILE 133 Ca 0.00 -1.58 0.00 0.00 -0.27 0.00 0.00 62.75 60.90 2vuj n ILE 133 Cb 0.16 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.17 2vuj n ILE 133 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2vuj n GLY 134 N -0.58 0.07 3.65 3.28 0.00 -0.65 -4.90 105.19 106.05 2vuj n GLY 134 Ca 0.12 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 2vuj n GLY 134 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vuj s ASN 135 N -4.00 6.88 0.26 1.61 0.02 -1.26 -0.51 114.94 117.94 2vuj s ASN 135 Ca 0.00 1.43 -0.15 0.00 -1.02 0.00 0.00 52.86 53.12 2vuj s ASN 135 Cb 0.00 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.74 2vuj s ASN 135 CO 0.00 -0.86 0.56 0.00 0.02 0.00 0.00 177.10 176.81 2vuj s ALA 136 N 3.76 -0.49 -0.16 0.60 0.00 0.36 -4.85 121.76 120.98 2vuj s ALA 136 Ca 0.53 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 2vuj s ALA 136 Cb -0.18 1.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 2vuj s ALA 136 CO 0.16 -0.91 -0.02 0.99 0.00 0.00 0.00 175.76 175.98 2vuj s THR 137 N -3.90 4.05 0.03 0.00 2.01 -1.26 -0.90 115.64 115.67 2vuj s THR 137 Ca 0.19 -0.30 -0.16 0.00 0.31 0.00 0.00 61.69 61.73 2vuj s THR 137 Cb -0.02 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.73 2vuj s THR 137 CO 0.09 0.49 0.35 0.72 -0.69 0.00 0.00 174.62 175.59 2vuj s PHE 138 N 0.31 -0.19 0.28 4.92 -0.12 -0.26 -4.92 117.98 117.99 2vuj s PHE 138 Ca -0.02 0.15 -0.14 0.00 -0.05 0.00 0.00 56.93 56.87 2vuj s PHE 138 Cb -0.14 0.15 -0.08 0.00 -0.63 0.00 0.00 43.02 42.32 2vuj s PHE 138 CO 0.02 -0.51 0.67 0.71 -0.05 0.00 0.00 175.22 176.07 2vuj s TYR 139 N -2.26 3.42 -0.05 3.49 2.02 -1.23 -0.39 117.35 122.34 2vuj s TYR 139 Ca -0.07 1.12 0.01 0.00 -0.37 0.00 0.00 57.07 57.76 2vuj s TYR 139 Cb -0.02 -2.45 -0.03 0.00 -0.40 0.00 0.00 41.96 39.06 2vuj s TYR 139 CO -0.01 0.18 -0.04 -0.65 -1.57 0.00 0.00 175.55 173.45 2vuj s GLN 140 N -2.82 2.77 -0.13 -0.62 -0.21 0.14 -2.73 119.66 116.06 2vuj s GLN 140 Ca 0.51 -0.55 -0.02 0.00 0.02 0.00 0.00 55.36 55.31 2vuj s GLN 140 Cb -0.11 -2.63 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 2vuj s GLN 140 CO 0.19 0.66 -0.06 0.71 -2.12 0.00 0.00 175.29 174.67 2vuj s TYR 141 N -0.89 2.97 -0.09 0.91 2.02 -0.80 -1.31 117.35 120.16 2vuj s TYR 141 Ca 0.14 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 2vuj s TYR 141 Cb -0.11 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 2vuj s TYR 141 CO 0.04 0.02 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.34 2vuj s TRP 142 N 0.08 1.63 -0.24 2.71 0.52 0.03 -1.37 118.94 122.31 2vuj s TRP 142 Ca -0.02 -0.71 -0.08 0.00 0.02 0.00 0.00 56.10 55.31 2vuj s TRP 142 Cb -0.14 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.92 2vuj s TRP 142 CO 0.03 -0.39 0.10 -1.12 0.02 0.00 0.00 176.95 175.59 2vuj s SER 143 N 0.98 5.54 -0.14 2.95 0.01 -0.65 -0.34 113.70 122.04 2vuj s SER 143 Ca -0.08 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.13 2vuj s SER 143 Cb -0.15 -1.99 0.02 0.00 0.21 0.00 0.00 66.02 64.11 2vuj s SER 143 CO -0.00 0.03 -0.16 -0.69 0.41 0.00 0.00 173.24 172.83 2vuj s VAL 144 N 1.23 1.65 0.42 3.43 1.01 0.78 0.24 120.40 129.17 2vuj s VAL 144 Ca 0.05 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 2vuj s VAL 144 Cb -0.14 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 2vuj s VAL 144 CO 0.04 0.47 1.41 -0.60 0.00 0.00 0.00 175.10 176.43 2vuj s ARG 145 N 1.30 3.85 0.38 2.72 3.52 -0.33 0.08 118.95 130.48 2vuj s ARG 145 Ca 0.01 2.40 0.18 0.00 -0.13 0.00 0.00 55.73 58.20 2vuj s ARG 145 Cb -0.13 -2.76 0.75 0.00 -1.56 0.00 0.00 34.95 31.25 2vuj s ARG 145 CO -0.08 -0.68 1.78 1.96 -0.81 0.00 0.00 175.30 177.47 2vuj h GLN 146 N 2.58 0.00 -5.67 5.12 4.20 -1.36 -3.43 115.11 116.54 2vuj h GLN 146 Ca -0.51 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 57.74 2vuj h GLN 146 Cb 1.25 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.84 2vuj h GLN 146 CO 0.62 0.36 -0.78 -1.12 -0.67 0.00 0.00 178.83 177.24 2vuj s SER 147 N -6.49 2.17 0.37 1.46 0.01 -1.26 -5.12 113.70 104.84 2vuj s SER 147 Ca -0.01 -0.74 -0.27 0.00 1.31 0.00 0.00 55.95 56.23 2vuj s SER 147 Cb 0.12 -0.10 -0.10 0.00 0.21 0.00 0.00 66.02 66.15 2vuj s SER 147 CO 0.68 -0.06 1.32 -0.54 0.41 0.00 0.00 173.24 175.06 2vuj s LYS 148 N -2.29 4.15 0.02 12.44 1.02 -1.26 -4.92 119.74 128.90 2vuj s LYS 148 Ca 0.07 2.23 -0.00 0.00 0.02 0.00 0.00 55.97 58.29 2vuj s LYS 148 Cb -0.07 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 2vuj s LYS 148 CO 0.04 -0.36 -0.03 -0.98 -0.92 0.00 0.00 175.35 173.09 2vuj s ARG 149 N -2.03 0.35 -0.45 1.68 1.70 0.45 -4.98 118.95 115.67 2vuj s ARG 149 Ca 0.53 -0.68 0.04 0.00 -0.47 0.00 0.00 55.73 55.15 2vuj s ARG 149 Cb -0.40 0.11 0.12 0.00 -0.57 0.00 0.00 34.95 34.21 2vuj s ARG 149 CO 0.52 -0.05 0.19 0.08 -1.08 0.00 0.00 175.30 174.96 2vuj s VAL 150 N -1.72 2.31 0.00 4.99 1.01 -1.26 -3.32 120.40 122.41 2vuj s VAL 150 Ca -0.13 -2.90 0.00 0.00 0.00 0.00 0.00 61.98 58.95 2vuj s VAL 150 Cb -0.08 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2vuj s VAL 150 CO -0.02 -0.75 0.00 0.61 0.00 0.00 0.00 175.10 174.94 2vuj n GLY 151 N 3.54 3.78 0.00 4.51 0.00 -1.26 -4.66 105.19 111.10 2vuj n GLY 151 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2vuj n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vuj n GLY 152 N 0.00 -0.81 3.85 -0.02 0.00 -0.47 -5.02 105.19 102.72 2vuj n GLY 152 Ca 0.00 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 2vuj n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vuj s THR 153 N -2.83 5.26 -0.36 2.61 2.01 -1.26 -1.16 115.64 119.91 2vuj s THR 153 Ca 0.00 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 2vuj s THR 153 Cb 0.00 -3.33 0.08 0.00 0.01 0.00 0.00 72.50 69.26 2vuj s THR 153 CO 0.00 0.53 0.12 -0.63 -0.69 0.00 0.00 174.62 173.95 2vuj s ILE 154 N -1.09 3.23 -1.01 1.82 1.01 0.25 -4.76 121.20 120.64 2vuj s ILE 154 Ca 0.18 -1.70 -0.23 0.00 0.00 0.00 0.00 60.65 58.90 2vuj s ILE 154 Cb -0.12 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.33 2vuj s ILE 154 CO 0.08 -0.41 1.64 -0.89 0.00 0.00 0.00 174.94 175.36 2vuj s THR 155 N 1.21 3.77 0.30 2.92 2.01 -1.26 -1.53 115.64 123.07 2vuj s THR 155 Ca 0.02 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.30 2vuj s THR 155 Cb -0.21 -4.72 0.28 0.00 0.01 0.00 0.00 72.50 67.85 2vuj s THR 155 CO -0.02 -1.60 1.91 0.71 -0.69 0.00 0.00 174.62 174.92 2vuj h THR 156 N 6.83 1.07 -0.97 -0.82 1.35 -1.82 -1.51 112.91 117.04 2vuj h THR 156 Ca 0.19 -0.36 0.12 0.00 -0.55 0.00 0.00 66.41 65.81 2vuj h THR 156 Cb 1.00 -0.07 -0.08 0.00 -1.73 0.00 0.00 68.15 67.27 2vuj h THR 156 CO 1.36 0.19 0.62 1.23 -0.25 0.00 0.00 175.52 178.66 2vuj h GLY 157 N 1.04 1.52 0.89 5.82 0.00 -1.84 0.20 103.07 110.70 2vuj h GLY 157 Ca 0.39 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2vuj h GLY 157 CO -0.15 0.16 0.39 3.43 0.00 0.00 0.00 176.54 180.38 2vuj h ASN 158 N 0.94 0.65 -0.07 0.19 2.35 -1.67 0.17 115.58 118.13 2vuj h ASN 158 Ca 0.48 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.19 2vuj h ASN 158 Cb 0.51 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 2vuj h ASN 158 CO -0.24 0.45 -0.09 0.45 -1.65 0.00 0.00 177.43 176.36 2vuj h HIS 159 N 0.78 0.22 -0.65 1.19 3.86 -1.41 -1.26 115.15 117.88 2vuj h HIS 159 Ca 0.25 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2vuj h HIS 159 Cb 0.00 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 2vuj h HIS 159 CO -0.05 0.65 0.42 0.74 0.86 0.00 0.00 177.93 180.55 2vuj h PHE 160 N -0.27 0.80 -0.31 2.45 -1.00 -0.89 0.20 116.94 117.92 2vuj h PHE 160 Ca 0.01 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.76 2vuj h PHE 160 Cb 0.62 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 2vuj h PHE 160 CO 0.10 0.49 -0.02 -0.44 -1.61 0.00 0.00 178.31 176.83 2vuj h ASP 161 N 0.86 0.55 -0.39 2.17 3.32 -0.67 -1.39 116.42 120.87 2vuj h ASP 161 Ca 0.24 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2vuj h ASP 161 Cb -0.07 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2vuj h ASP 161 CO -0.07 0.74 0.18 0.00 -1.72 0.00 0.00 179.24 178.37 2vuj h ALA 162 N 0.83 0.50 -0.36 3.45 0.00 -0.86 -1.81 119.26 121.01 2vuj h ALA 162 Ca 0.09 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2vuj h ALA 162 Cb 0.47 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2vuj h ALA 162 CO 0.02 0.07 0.10 -1.49 0.00 0.00 0.00 179.25 177.95 2vuj h TRP 163 N 0.48 0.18 -0.64 0.00 6.55 -0.60 -2.72 115.95 119.20 2vuj h TRP 163 Ca 0.13 0.02 0.11 0.00 0.95 0.00 0.00 58.89 60.10 2vuj h TRP 163 Cb 0.13 -0.03 -0.08 0.00 -0.86 0.00 0.00 29.16 28.32 2vuj h TRP 163 CO -0.01 0.06 0.20 0.00 -1.05 0.00 0.00 178.44 177.64 2vuj h ALA 164 N 1.25 0.82 0.00 1.49 0.00 -1.07 -0.16 119.26 121.59 2vuj h ALA 164 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2vuj h ALA 164 Cb 0.17 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2vuj h ALA 164 CO -0.19 -0.24 0.00 0.77 0.00 0.00 0.00 179.25 179.59 2vuj h SER 165 N 0.36 0.00 -0.23 0.00 0.02 -1.02 -0.83 113.55 111.84 2vuj h SER 165 Ca 0.33 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 2vuj h SER 165 Cb 0.47 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2vuj h SER 165 CO -0.37 0.00 -0.01 1.33 -1.14 0.00 0.00 176.83 176.64 2vuj n VAL 166 N -2.30 2.27 -1.29 2.27 0.24 -0.78 -4.97 118.33 113.78 2vuj n VAL 166 Ca 0.01 -2.08 0.00 0.00 -2.04 0.00 0.00 64.34 60.23 2vuj n VAL 166 Cb 0.17 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 2vuj n VAL 166 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2vuj n GLY 167 N -0.76 0.41 3.27 7.63 0.00 -0.32 -5.01 105.19 110.42 2vuj n GLY 167 Ca 0.22 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 2vuj n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vuj s LEU 168 N 0.00 5.31 -0.12 0.99 1.43 -0.14 -5.00 118.68 121.15 2vuj s LEU 168 Ca 0.00 -1.55 -0.19 0.00 -1.03 0.00 0.00 54.13 51.35 2vuj s LEU 168 Cb 0.00 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2vuj s LEU 168 CO 0.00 -0.58 0.54 0.20 0.23 0.00 0.00 176.35 176.74 2vuj s ASN 169 N 2.28 6.73 -0.09 2.29 0.01 -1.26 -2.79 114.94 122.11 2vuj s ASN 169 Ca 0.04 0.88 -0.16 0.00 -0.71 0.00 0.00 52.86 52.91 2vuj s ASN 169 Cb -0.24 -2.32 -0.05 0.00 0.41 0.00 0.00 41.25 39.06 2vuj s ASN 169 CO 0.02 -0.06 0.40 -0.76 -1.51 0.00 0.00 177.10 175.19 2vuj s LEU 170 N 0.86 4.33 0.00 0.60 1.43 -1.26 -4.79 118.68 119.85 2vuj s LEU 170 Ca 0.28 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 2vuj s LEU 170 Cb -0.16 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.50 2vuj s LEU 170 CO 0.12 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.44 2vuj n GLY 171 N 2.85 1.10 3.65 -3.19 0.00 -1.26 -4.88 105.19 103.47 2vuj n GLY 171 Ca -0.11 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 2vuj n GLY 171 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vuj s THR 172 N 0.61 4.04 0.14 2.61 2.01 0.16 -4.76 115.64 120.45 2vuj s THR 172 Ca 0.00 1.25 -0.31 0.00 0.31 0.00 0.00 61.69 62.94 2vuj s THR 172 Cb 0.00 -3.86 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 2vuj s THR 172 CO 0.00 -0.17 1.42 -1.00 -0.69 0.00 0.00 174.62 174.18 2vuj s HIS 173 N 3.87 3.21 0.00 4.92 0.09 -1.26 -0.70 115.29 125.41 2vuj s HIS 173 Ca 0.61 0.92 0.00 0.00 -0.00 0.00 0.00 55.06 56.59 2vuj s HIS 173 Cb -0.24 -3.72 0.00 0.00 -0.00 0.00 0.00 32.58 28.61 2vuj s HIS 173 CO 0.20 -2.54 0.00 -1.71 -0.00 0.00 0.00 174.74 170.70 2vuj n ASN 174 N 3.78 0.00 -4.79 1.40 2.85 0.10 -4.51 115.26 114.09 2vuj n ASN 174 Ca 0.11 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.28 2vuj n ASN 174 Cb 0.42 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.54 2vuj n ASN 174 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2vuj s TYR 175 N 3.57 2.74 -0.25 1.20 -0.85 -1.06 0.17 117.35 122.87 2vuj s TYR 175 Ca 0.00 1.13 -0.03 0.00 -0.52 0.00 0.00 57.07 57.65 2vuj s TYR 175 Cb 0.00 -3.16 0.14 0.00 0.38 0.00 0.00 41.96 39.32 2vuj s TYR 175 CO 0.00 -1.91 0.42 -1.14 -1.52 0.00 0.00 175.55 171.40 2vuj s GLN 176 N -5.15 0.39 0.12 -3.49 0.74 -0.21 -1.92 119.66 110.14 2vuj s GLN 176 Ca 0.61 0.66 0.05 0.00 0.05 0.00 0.00 55.36 56.73 2vuj s GLN 176 Cb -0.15 -0.23 -0.04 0.00 1.10 0.00 0.00 33.01 33.70 2vuj s GLN 176 CO 0.54 -0.60 -0.12 0.96 -0.55 0.00 0.00 175.29 175.52 2vuj s ILE 177 N 2.61 1.15 -0.60 -2.34 -4.36 0.11 -1.00 121.20 116.78 2vuj s ILE 177 Ca 0.13 -1.79 -0.22 0.00 -0.26 0.00 0.00 60.65 58.51 2vuj s ILE 177 Cb -0.15 -1.56 0.07 0.00 1.25 0.00 0.00 42.46 42.07 2vuj s ILE 177 CO -0.16 -0.56 0.85 -0.32 0.24 0.00 0.00 174.94 174.99 2vuj s MET 178 N -3.02 3.14 0.02 0.37 -2.45 -0.30 -0.68 119.30 116.38 2vuj s MET 178 Ca 0.10 -0.82 -0.01 0.00 -1.25 0.00 0.00 55.69 53.71 2vuj s MET 178 Cb -0.02 -4.18 -0.04 0.00 1.25 0.00 0.00 34.83 31.84 2vuj s MET 178 CO 0.01 -1.60 0.19 0.00 1.05 0.00 0.00 175.02 174.68 2vuj s ALA 179 N 3.54 3.97 -0.11 4.11 0.00 0.11 -3.73 121.76 129.66 2vuj s ALA 179 Ca 0.21 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 2vuj s ALA 179 Cb -0.18 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 2vuj s ALA 179 CO 0.12 0.78 0.04 0.99 0.00 0.00 0.00 175.76 177.69 2vuj s THR 180 N -1.40 4.65 -0.03 0.00 2.01 -0.28 -1.34 115.64 119.24 2vuj s THR 180 Ca 0.31 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.22 2vuj s THR 180 Cb -0.13 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.40 2vuj s THR 180 CO 0.23 0.59 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.95 2vuj s GLU 181 N -0.76 1.05 0.06 4.92 2.12 -0.47 -1.39 118.70 124.24 2vuj s GLU 181 Ca 0.12 -0.33 0.09 0.00 0.36 0.00 0.00 54.97 55.21 2vuj s GLU 181 Cb -0.12 -0.97 -0.03 0.00 0.26 0.00 0.00 34.13 33.27 2vuj s GLU 181 CO 0.02 0.12 -0.24 0.20 -0.54 0.00 0.00 175.26 174.82 2vuj s GLY 182 N 0.21 1.31 -0.10 -1.50 0.00 -0.73 0.02 107.32 106.52 2vuj s GLY 182 Ca -0.04 -1.22 -0.02 0.00 0.00 0.00 0.00 44.72 43.44 2vuj s GLY 182 CO 0.01 -1.15 0.01 -0.47 0.00 0.00 0.00 173.10 171.50 2vuj s TYR 183 N -0.88 0.77 -1.55 1.90 5.04 0.21 -2.39 117.35 120.44 2vuj s TYR 183 Ca 0.10 -0.35 -0.06 0.00 -2.44 0.00 0.00 57.07 54.32 2vuj s TYR 183 Cb -0.10 -0.87 0.05 0.00 0.35 0.00 0.00 41.96 41.40 2vuj s TYR 183 CO 0.03 -0.41 0.37 1.04 -1.34 0.00 0.00 175.55 175.24 2vuj n GLN 184 N 5.12 -2.30 -1.88 4.97 6.02 0.17 -4.18 117.38 125.30 2vuj n GLN 184 Ca -0.08 0.28 -0.02 0.00 -0.01 0.00 0.00 57.00 57.17 2vuj n GLN 184 Cb 0.49 -4.35 -0.00 0.00 1.02 0.00 0.00 30.24 27.40 2vuj n GLN 184 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2vuj n SER 185 N -2.85 -0.25 -4.11 1.08 3.41 -1.25 -4.79 113.62 104.86 2vuj n SER 185 Ca -0.21 -1.30 -0.12 0.00 -0.26 0.00 0.00 58.87 56.98 2vuj n SER 185 Cb 0.63 0.45 -0.11 0.00 -0.26 0.00 0.00 64.21 64.92 2vuj n SER 185 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2vuj s SER 186 N -1.35 1.02 0.00 4.04 0.01 -1.26 -3.51 113.70 112.64 2vuj s SER 186 Ca 0.04 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2vuj s SER 186 Cb -0.00 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2vuj s SER 186 CO 0.03 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2vuj n GLY 187 N 0.82 -1.05 3.63 3.44 0.00 -0.55 -4.35 105.19 107.13 2vuj n GLY 187 Ca -0.18 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 2vuj n GLY 187 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vuj s SER 188 N -4.00 -0.19 0.15 1.61 1.04 -0.42 -0.79 113.70 111.10 2vuj s SER 188 Ca 0.00 -0.69 -0.24 0.00 0.48 0.00 0.00 55.95 55.51 2vuj s SER 188 Cb 0.00 0.62 0.07 0.00 0.10 0.00 0.00 66.02 66.81 2vuj s SER 188 CO 0.00 -1.16 0.67 -0.94 0.98 0.00 0.00 173.24 172.79 2vuj s SER 189 N -2.94 -0.49 -0.28 7.02 1.04 -0.16 -1.02 113.70 116.86 2vuj s SER 189 Ca 0.15 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.51 2vuj s SER 189 Cb -0.02 0.58 0.15 0.00 0.10 0.00 0.00 66.02 66.83 2vuj s SER 189 CO 0.04 -0.96 0.40 -0.62 0.98 0.00 0.00 173.24 173.08 2vuj s ASP 190 N -2.73 0.44 -0.07 7.02 -1.08 -0.17 -0.78 116.67 119.30 2vuj s ASP 190 Ca 0.03 -0.28 0.03 0.00 -0.52 0.00 0.00 52.55 51.82 2vuj s ASP 190 Cb -0.02 1.07 0.01 0.00 -1.46 0.00 0.00 42.92 42.52 2vuj s ASP 190 CO -0.10 -0.34 -0.16 -0.63 0.52 0.00 0.00 175.17 174.46 2vuj s ILE 191 N 2.53 1.39 -0.17 4.11 -1.09 -0.24 -1.11 121.20 126.62 2vuj s ILE 191 Ca 0.10 -0.64 -0.03 0.00 -2.23 0.00 0.00 60.65 57.85 2vuj s ILE 191 Cb -0.13 -1.23 -0.02 0.00 -1.58 0.00 0.00 42.46 39.50 2vuj s ILE 191 CO -0.27 0.41 -0.07 -0.89 -1.23 0.00 0.00 174.94 172.88 2vuj s THR 192 N 0.45 3.39 0.17 2.92 2.01 -0.64 -1.11 115.64 122.84 2vuj s THR 192 Ca -0.13 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.41 2vuj s THR 192 Cb -0.15 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 2vuj s THR 192 CO 0.04 0.48 0.07 0.68 -0.69 0.00 0.00 174.62 175.20 2vuj s VAL 193 N 0.80 4.09 0.18 3.82 -7.23 -0.22 -2.14 120.40 119.70 2vuj s VAL 193 Ca -0.03 -1.27 -0.23 0.00 -1.81 0.00 0.00 61.98 58.64 2vuj s VAL 193 Cb -0.15 -3.08 0.07 0.00 0.56 0.00 0.00 36.38 33.79 2vuj s VAL 193 CO 0.01 -0.12 1.01 -0.94 -0.31 0.00 0.00 175.10 174.75 2vuj s SER 194 N -3.05 -0.06 -0.10 4.85 1.04 -0.11 -4.20 113.70 112.07 2vuj s SER 194 Ca 0.29 -0.59 0.14 0.00 0.48 0.00 0.00 55.95 56.27 2vuj s SER 194 Cb -0.10 0.50 0.22 0.00 0.10 0.00 0.00 66.02 66.74 2vuj s SER 194 CO 0.21 -0.97 1.11 -1.84 0.98 0.00 0.00 173.24 172.73 2vuj n GLU 195 N -0.61 0.92 -2.02 4.02 0.28 -1.26 -0.58 120.64 121.40 2vuj n GLU 195 Ca -0.04 -2.17 -0.26 0.00 -0.16 0.00 0.00 57.16 54.53 2vuj n GLU 195 Cb 0.60 -1.20 0.02 0.00 1.43 0.00 0.00 31.44 32.29 2vuj n GLU 195 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2vuj n GLY 196 N -1.00 6.28 2.72 -1.84 0.00 -1.26 -4.76 105.19 105.34 2vuj n GLY 196 Ca 0.12 -2.64 -0.14 0.00 0.00 0.00 0.00 46.02 43.35 2vuj n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vuj n GLY 197 N -0.69 1.34 0.00 -0.02 0.00 -1.26 -5.10 105.19 99.46 2vuj n GLY 197 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2vuj n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93