#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vlj s LEU 4 N 0.00 1.83 -0.15 1.08 1.43 -1.26 -5.04 118.68 116.56 2vlj s LEU 4 Ca 0.00 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 2vlj s LEU 4 Cb 0.00 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.63 2vlj s LEU 4 CO 0.00 0.08 -0.20 -0.76 0.23 0.00 0.00 176.35 175.70 2vlj s LEU 5 N 0.12 2.17 -0.21 1.79 1.43 -1.26 -4.45 118.68 118.27 2vlj s LEU 5 Ca -0.02 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.44 2vlj s LEU 5 Cb -0.08 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 2vlj s LEU 5 CO 0.01 0.06 -0.04 -0.70 0.23 0.00 0.00 176.35 175.90 2vlj s GLU 6 N 0.96 3.43 -0.05 1.70 2.12 -0.07 -4.11 118.70 122.68 2vlj s GLU 6 Ca -0.03 -0.61 -0.03 0.00 0.36 0.00 0.00 54.97 54.66 2vlj s GLU 6 Cb -0.15 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2vlj s GLU 6 CO -0.05 -0.10 0.12 -0.65 -0.54 0.00 0.00 175.26 174.03 2vlj s GLN 7 N 1.24 3.27 -0.24 4.30 -0.21 -1.26 -0.42 119.66 126.34 2vlj s GLN 7 Ca 0.03 -0.33 -0.23 0.00 0.02 0.00 0.00 55.36 54.85 2vlj s GLN 7 Cb -0.14 -3.01 0.06 0.00 1.00 0.00 0.00 33.01 30.92 2vlj s GLN 7 CO -0.01 0.70 0.65 0.45 -2.12 0.00 0.00 175.29 174.96 2vlj s SER 8 N -1.48 -0.68 0.67 5.90 0.15 -1.09 -4.66 113.70 112.50 2vlj s SER 8 Ca 0.21 1.30 -0.08 0.00 0.70 0.00 0.00 55.95 58.08 2vlj s SER 8 Cb -0.12 1.32 0.03 0.00 -1.71 0.00 0.00 66.02 65.54 2vlj s SER 8 CO 0.11 -0.24 1.00 -2.16 1.20 0.00 0.00 173.24 173.16 2vlj s PRO 9 N 0.31 2.61 0.14 5.44 0.04 -1.26 -2.47 135.00 139.81 2vlj s PRO 9 Ca -0.00 0.05 -0.13 0.00 0.04 0.00 0.00 61.00 60.95 2vlj s PRO 9 Cb -0.04 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2vlj s PRO 9 CO 0.01 -1.01 1.58 1.96 0.04 0.00 0.00 177.00 179.58 2vlj h GLN 10 N -0.49 0.83 -4.50 4.56 4.20 -1.83 -3.40 115.11 114.48 2vlj h GLN 10 Ca -0.45 -0.28 -0.34 0.00 0.06 0.00 0.00 58.65 57.64 2vlj h GLN 10 Cb 1.28 -0.07 -0.27 0.00 0.30 0.00 0.00 27.48 28.72 2vlj h GLN 10 CO 0.62 0.89 -0.76 -0.06 -0.67 0.00 0.00 178.83 178.85 2vlj s PHE 11 N -4.96 0.62 -0.07 2.96 0.40 -1.26 -0.54 117.98 115.13 2vlj s PHE 11 Ca -0.12 -0.18 -0.03 0.00 -0.60 0.00 0.00 56.93 56.00 2vlj s PHE 11 Cb 0.11 -0.39 0.04 0.00 0.51 0.00 0.00 43.02 43.29 2vlj s PHE 11 CO 0.82 -0.02 0.14 -1.17 0.70 0.00 0.00 175.22 175.69 2vlj s LEU 12 N -0.41 0.28 -0.18 -0.37 2.96 -0.53 -4.93 118.68 115.49 2vlj s LEU 12 Ca 0.01 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2vlj s LEU 12 Cb -0.04 0.24 -0.00 0.00 0.50 0.00 0.00 46.19 46.89 2vlj s LEU 12 CO -0.00 -0.21 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.15 2vlj s SER 13 N 1.83 3.82 0.25 3.68 0.15 -1.26 -1.63 113.70 120.54 2vlj s SER 13 Ca -0.02 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.18 2vlj s SER 13 Cb -0.12 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 2vlj s SER 13 CO -0.05 0.04 0.15 0.27 1.20 0.00 0.00 173.24 174.84 2vlj s ILE 14 N 1.11 0.17 0.06 6.45 -4.36 -0.28 -4.99 121.20 119.36 2vlj s ILE 14 Ca 0.01 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.26 2vlj s ILE 14 Cb -0.14 -2.53 -0.06 0.00 1.25 0.00 0.00 42.46 40.98 2vlj s ILE 14 CO -0.04 0.00 0.45 -1.10 0.24 0.00 0.00 174.94 174.50 2vlj s GLN 15 N -3.99 3.92 0.15 0.37 -1.52 -1.26 -1.36 119.66 115.97 2vlj s GLN 15 Ca 0.38 0.40 -0.34 0.00 -1.95 0.00 0.00 55.36 53.86 2vlj s GLN 15 Cb 0.06 -3.10 -0.15 0.00 -0.22 0.00 0.00 33.01 29.60 2vlj s GLN 15 CO 0.15 0.61 1.32 -1.91 -0.25 0.00 0.00 175.29 175.21 2vlj n GLU 16 N 1.35 1.43 -0.05 2.91 2.13 -0.44 -1.62 120.64 126.35 2vlj n GLU 16 Ca -0.10 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.23 2vlj n GLU 16 Cb 0.52 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 30.11 2vlj n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vlj n GLY 17 N 2.41 0.62 3.89 8.31 0.00 0.21 -4.88 105.19 115.76 2vlj n GLY 17 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2vlj n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vlj s GLU 18 N -0.79 3.69 0.16 1.61 2.02 -0.64 -4.26 118.70 120.48 2vlj s GLU 18 Ca 0.00 0.25 0.04 0.00 0.02 0.00 0.00 54.97 55.29 2vlj s GLU 18 Cb 0.00 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 2vlj s GLU 18 CO 0.00 0.02 0.16 -0.80 0.02 0.00 0.00 175.26 174.67 2vlj s ASN 19 N -3.33 5.69 -0.15 -0.19 0.01 -1.26 -1.57 114.94 114.13 2vlj s ASN 19 Ca 0.48 -0.06 -0.25 0.00 -0.71 0.00 0.00 52.86 52.32 2vlj s ASN 19 Cb -0.10 -1.54 0.06 0.00 0.41 0.00 0.00 41.25 40.08 2vlj s ASN 19 CO 0.33 0.07 0.62 -1.48 -1.51 0.00 0.00 177.10 175.13 2vlj s LEU 20 N -3.10 -0.41 0.15 0.60 0.05 -0.03 -4.98 118.68 110.96 2vlj s LEU 20 Ca 0.32 0.97 0.11 0.00 0.05 0.00 0.00 54.13 55.57 2vlj s LEU 20 Cb -0.10 2.24 -0.04 0.00 -2.05 0.00 0.00 46.19 46.23 2vlj s LEU 20 CO 0.24 -0.38 -0.23 -0.89 -0.55 0.00 0.00 176.35 174.54 2vlj s THR 21 N -0.37 2.49 0.04 5.48 2.01 -1.26 0.16 115.64 124.19 2vlj s THR 21 Ca -0.05 -1.79 -0.01 0.00 0.31 0.00 0.00 61.69 60.15 2vlj s THR 21 Cb -0.03 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 2vlj s THR 21 CO 0.05 0.01 -0.02 0.68 -0.69 0.00 0.00 174.62 174.64 2vlj s VAL 22 N -1.34 0.16 0.11 3.82 -7.23 0.13 -4.91 120.40 111.15 2vlj s VAL 22 Ca 0.18 -1.34 0.10 0.00 -1.81 0.00 0.00 61.98 59.11 2vlj s VAL 22 Cb -0.09 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 2vlj s VAL 22 CO 0.09 -0.74 -0.25 -0.31 -0.31 0.00 0.00 175.10 173.58 2vlj s TYR 23 N -2.67 2.19 -0.15 2.82 1.51 -1.03 -0.83 117.35 119.20 2vlj s TYR 23 Ca -0.05 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.58 2vlj s TYR 23 Cb -0.01 -1.21 0.05 0.00 -0.11 0.00 0.00 41.96 40.68 2vlj s TYR 23 CO -0.05 0.27 0.09 0.00 -1.11 0.00 0.00 175.55 174.74 2vlj s ASN 25 N 2.15 2.92 0.09 0.00 -0.87 0.44 -1.60 114.94 118.08 2vlj s ASN 25 Ca 0.03 -0.45 0.04 0.00 -1.57 0.00 0.00 52.86 50.90 2vlj s ASN 25 Cb -0.15 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.25 40.68 2vlj s ASN 25 CO -0.08 0.30 -0.11 -0.55 -2.57 0.00 0.00 177.10 174.10 2vlj s SER 26 N -0.55 1.46 0.12 -1.22 0.15 0.66 -0.89 113.70 113.43 2vlj s SER 26 Ca 0.09 -0.77 0.25 0.00 0.70 0.00 0.00 55.95 56.22 2vlj s SER 26 Cb -0.10 -0.00 0.50 0.00 -1.71 0.00 0.00 66.02 64.71 2vlj s SER 26 CO -0.01 -0.23 1.45 -1.20 1.20 0.00 0.00 173.24 174.46 2vlj n SER 27 N 0.72 0.68 -4.35 5.45 7.64 -1.26 -4.71 113.62 117.78 2vlj n SER 27 Ca -0.17 0.20 -0.19 0.00 1.01 0.00 0.00 58.87 59.72 2vlj n SER 27 Cb 0.57 -0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 2vlj n SER 27 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2vlj s SER 28 N -4.13 2.66 0.59 6.43 1.04 -1.26 -5.09 113.70 113.95 2vlj s SER 28 Ca 0.08 -1.00 -0.20 0.00 0.48 0.00 0.00 55.95 55.31 2vlj s SER 28 Cb 0.14 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 2vlj s SER 28 CO 0.68 -0.14 1.28 -0.69 0.98 0.00 0.00 173.24 175.36 2vlj s VAL 29 N -2.81 2.27 -0.07 5.02 1.01 -1.26 -4.49 120.40 120.06 2vlj s VAL 29 Ca 0.22 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 2vlj s VAL 29 Cb -0.02 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.31 2vlj s VAL 29 CO 0.07 -0.02 -0.04 -0.36 0.00 0.00 0.00 175.10 174.75 2vlj s PHE 30 N -1.43 0.94 -0.30 5.22 0.40 -0.17 -4.97 117.98 117.67 2vlj s PHE 30 Ca 0.77 -0.34 0.27 0.00 -0.60 0.00 0.00 56.93 57.03 2vlj s PHE 30 Cb -0.36 -0.88 0.86 0.00 0.51 0.00 0.00 43.02 43.15 2vlj s PHE 30 CO 0.40 -0.33 1.78 0.66 0.70 0.00 0.00 175.22 178.43 2vlj h SER 31 N 7.88 0.00 -4.72 1.36 4.64 -1.87 -3.44 113.55 117.40 2vlj h SER 31 Ca -0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 2vlj h SER 31 Cb 1.14 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.03 2vlj h SER 31 CO 0.37 0.00 0.31 -0.94 -0.87 0.00 0.00 176.83 175.70 2vlj s SER 32 N -5.49 -0.55 -0.01 4.97 1.04 -1.26 -4.77 113.70 107.63 2vlj s SER 32 Ca 0.05 0.55 -0.06 0.00 0.48 0.00 0.00 55.95 56.97 2vlj s SER 32 Cb 0.08 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2vlj s SER 32 CO 0.57 -0.55 0.12 -0.22 0.98 0.00 0.00 173.24 174.15 2vlj s LEU 33 N -1.32 1.59 0.08 2.42 0.20 -0.44 -2.17 118.68 119.05 2vlj s LEU 33 Ca -0.07 -0.14 0.05 0.00 0.69 0.00 0.00 54.13 54.67 2vlj s LEU 33 Cb -0.00 0.59 -0.03 0.00 -0.43 0.00 0.00 46.19 46.32 2vlj s LEU 33 CO 0.05 -0.30 -0.14 -1.10 -0.29 0.00 0.00 176.35 174.56 2vlj s GLN 34 N -1.11 0.88 -0.04 1.98 1.11 0.65 -0.94 119.66 122.19 2vlj s GLN 34 Ca -0.12 -1.03 0.06 0.00 0.01 0.00 0.00 55.36 54.28 2vlj s GLN 34 Cb -0.07 -0.87 -0.01 0.00 -1.01 0.00 0.00 33.01 31.06 2vlj s GLN 34 CO 0.01 0.19 -0.24 -1.58 0.01 0.00 0.00 175.29 173.68 2vlj s TRP 35 N -1.49 2.22 0.13 0.91 0.52 -0.76 -1.39 118.94 119.08 2vlj s TRP 35 Ca 0.01 -0.55 0.08 0.00 0.02 0.00 0.00 56.10 55.66 2vlj s TRP 35 Cb -0.09 -1.45 -0.04 0.00 -1.15 0.00 0.00 33.47 30.75 2vlj s TRP 35 CO 0.02 -0.13 -0.19 0.71 0.02 0.00 0.00 176.95 177.39 2vlj s TYR 36 N -0.32 1.75 -0.12 -1.98 1.51 -0.12 -0.54 117.35 117.53 2vlj s TYR 36 Ca 0.02 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 2vlj s TYR 36 Cb -0.11 -0.92 0.02 0.00 -0.11 0.00 0.00 41.96 40.84 2vlj s TYR 36 CO 0.01 0.25 -0.10 0.50 -1.11 0.00 0.00 175.55 175.11 2vlj s ARG 37 N -2.39 1.80 -0.14 -0.62 3.52 0.36 -1.53 118.95 119.96 2vlj s ARG 37 Ca 0.11 -0.37 -0.01 0.00 -0.13 0.00 0.00 55.73 55.33 2vlj s ARG 37 Cb -0.08 -1.74 -0.02 0.00 -1.56 0.00 0.00 34.95 31.56 2vlj s ARG 37 CO 0.05 -0.23 -0.10 -1.14 -0.81 0.00 0.00 175.30 173.08 2vlj s GLN 38 N 1.53 3.46 0.29 5.12 0.74 0.22 -2.20 119.66 128.82 2vlj s GLN 38 Ca 0.03 -0.63 -0.07 0.00 0.05 0.00 0.00 55.36 54.75 2vlj s GLN 38 Cb -0.13 -2.72 -0.06 0.00 1.10 0.00 0.00 33.01 31.20 2vlj s GLN 38 CO -0.08 0.24 0.58 -1.21 -0.55 0.00 0.00 175.29 174.27 2vlj s GLU 39 N 0.31 3.70 0.26 1.67 0.41 -1.26 -1.25 118.70 122.53 2vlj s GLU 39 Ca -0.08 0.14 -0.30 0.00 -0.41 0.00 0.00 54.97 54.32 2vlj s GLU 39 Cb -0.15 -2.62 -0.09 0.00 -1.78 0.00 0.00 34.13 29.49 2vlj s GLU 39 CO 0.05 0.21 1.28 -1.25 -0.49 0.00 0.00 175.26 175.06 2vlj s PRO 40 N -3.38 4.42 -0.65 0.39 0.04 -1.26 -3.00 135.00 131.57 2vlj s PRO 40 Ca 0.46 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2vlj s PRO 40 Cb -0.11 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2vlj s PRO 40 CO 0.28 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.57 2vlj n GLY 41 N 1.67 0.65 3.08 0.56 0.00 -1.26 -5.03 105.19 104.85 2vlj n GLY 41 Ca 0.03 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 2vlj n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vlj s GLU 42 N -3.07 0.57 0.34 1.61 2.02 -1.16 -5.15 118.70 113.86 2vlj s GLU 42 Ca 0.00 -1.02 -0.28 0.00 0.02 0.00 0.00 54.97 53.69 2vlj s GLU 42 Cb 0.00 0.01 -0.09 0.00 0.10 0.00 0.00 34.13 34.15 2vlj s GLU 42 CO 0.00 -0.05 1.19 0.20 0.02 0.00 0.00 175.26 176.62 2vlj s GLY 43 N -2.38 2.97 0.21 -1.39 0.00 -1.26 -4.69 107.32 100.79 2vlj s GLY 43 Ca -0.00 1.04 -0.32 0.00 0.00 0.00 0.00 44.72 45.44 2vlj s GLY 43 CO -0.05 1.62 1.56 -1.05 0.00 0.00 0.00 173.10 175.18 2vlj n PRO 44 N 0.64 2.32 -3.05 2.90 -0.02 -1.26 -4.76 135.00 131.77 2vlj n PRO 44 Ca 0.01 0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 61.92 2vlj n PRO 44 Cb 0.44 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.29 2vlj n PRO 44 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2vlj s VAL 45 N 0.52 4.97 -0.17 -1.45 1.01 -0.93 -4.91 120.40 119.44 2vlj s VAL 45 Ca 0.73 1.32 -0.29 0.00 0.00 0.00 0.00 61.98 63.73 2vlj s VAL 45 Cb -0.61 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 31.74 2vlj s VAL 45 CO 0.42 0.08 1.47 -0.22 0.00 0.00 0.00 175.10 176.84 2vlj s LEU 46 N 2.04 4.09 -0.20 3.92 2.96 -1.26 -0.48 118.68 129.75 2vlj s LEU 46 Ca 0.31 1.74 -0.18 0.00 -0.22 0.00 0.00 54.13 55.77 2vlj s LEU 46 Cb -0.16 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.84 2vlj s LEU 46 CO 0.11 -0.99 0.09 0.18 -1.32 0.00 0.00 176.35 174.42 2vlj n LEU 47 N 7.41 1.85 -3.71 -0.68 4.77 0.30 -4.98 117.00 121.97 2vlj n LEU 47 Ca 0.16 0.46 -0.12 0.00 -0.03 0.00 0.00 56.01 56.48 2vlj n LEU 47 Cb 0.45 -0.94 -0.07 0.00 -2.33 0.00 0.00 43.42 40.53 2vlj n LEU 47 CO 0.61 0.13 0.10 0.54 -1.33 0.00 0.00 177.39 177.43 2vlj s VAL 48 N -2.35 0.07 -0.06 4.08 0.11 -1.15 -5.00 120.40 116.09 2vlj s VAL 48 Ca -0.26 -0.54 0.04 0.00 -2.93 0.00 0.00 61.98 58.28 2vlj s VAL 48 Cb 0.06 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 2vlj s VAL 48 CO 0.50 -0.30 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.92 2vlj s THR 49 N -2.41 2.85 0.08 5.04 2.01 -1.26 -1.83 115.64 120.11 2vlj s THR 49 Ca -0.06 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 61.23 2vlj s THR 49 Cb -0.01 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 2vlj s THR 49 CO -0.02 0.58 -0.21 0.68 -0.69 0.00 0.00 174.62 174.96 2vlj s VAL 50 N -0.51 1.70 0.00 3.82 -7.23 -0.12 -4.99 120.40 113.08 2vlj s VAL 50 Ca 0.07 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2vlj s VAL 50 Cb -0.12 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.31 2vlj s VAL 50 CO 0.01 0.07 0.00 0.52 -0.31 0.00 0.00 175.10 175.39 2vlj n VAL 51 N 1.43 0.00 -3.70 1.32 0.31 -1.26 -1.33 118.33 115.10 2vlj n VAL 51 Ca -0.18 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.79 2vlj n VAL 51 Cb 0.53 -0.16 -0.07 0.00 -0.91 0.00 0.00 33.84 33.23 2vlj n VAL 51 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2vlj s THR 52 N -1.26 5.39 0.10 2.52 2.01 -1.26 -4.78 115.64 118.36 2vlj s THR 52 Ca 0.00 0.30 -0.31 0.00 0.31 0.00 0.00 61.69 61.99 2vlj s THR 52 Cb 0.00 -3.51 -0.10 0.00 0.01 0.00 0.00 72.50 68.91 2vlj s THR 52 CO 0.00 0.46 1.76 -0.83 -0.69 0.00 0.00 174.62 175.32 2vlj s GLY 53 N 0.12 1.42 0.00 4.40 0.00 -1.26 -1.81 107.32 110.19 2vlj s GLY 53 Ca 0.12 1.36 0.00 0.00 0.00 0.00 0.00 44.72 46.20 2vlj s GLY 53 CO 0.01 3.05 0.00 0.61 0.00 0.00 0.00 173.10 176.77 2vlj n GLY 54 N 4.15 1.79 3.78 0.20 0.00 0.14 -4.69 105.19 110.55 2vlj n GLY 54 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2vlj n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2vlj s GLU 55 N -0.89 3.94 -0.07 1.61 -1.05 -0.75 -4.68 118.70 116.81 2vlj s GLU 55 Ca 0.00 1.51 0.05 0.00 -0.15 0.00 0.00 54.97 56.39 2vlj s GLU 55 Cb 0.00 -2.35 -0.01 0.00 -0.44 0.00 0.00 34.13 31.33 2vlj s GLU 55 CO 0.00 -0.34 -0.23 0.08 0.95 0.00 0.00 175.26 175.72 2vlj s VAL 56 N -1.75 2.20 0.07 1.83 1.01 -1.26 -1.10 120.40 121.40 2vlj s VAL 56 Ca 0.63 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2vlj s VAL 56 Cb -0.21 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2vlj s VAL 56 CO 0.26 0.57 -0.11 -0.54 0.00 0.00 0.00 175.10 175.28 2vlj s LYS 57 N -0.10 0.74 -0.03 2.72 1.02 -0.41 -4.99 119.74 118.70 2vlj s LYS 57 Ca -0.05 -0.97 0.05 0.00 0.02 0.00 0.00 55.97 55.02 2vlj s LYS 57 Cb -0.14 -0.56 -0.01 0.00 -0.52 0.00 0.00 37.83 36.59 2vlj s LYS 57 CO 0.04 0.11 -0.18 0.15 -0.92 0.00 0.00 175.35 174.55 2vlj s LYS 58 N -2.08 1.61 -0.05 1.68 1.02 -1.26 -0.70 119.74 119.97 2vlj s LYS 58 Ca -0.02 -0.64 -0.03 0.00 0.02 0.00 0.00 55.97 55.30 2vlj s LYS 58 Cb -0.07 -1.49 0.02 0.00 -0.52 0.00 0.00 37.83 35.77 2vlj s LYS 58 CO 0.01 0.34 0.11 -0.48 -0.92 0.00 0.00 175.35 174.41 2vlj s LEU 59 N -0.26 1.21 0.00 3.17 -0.00 0.41 -5.00 118.68 118.21 2vlj s LEU 59 Ca 0.03 0.22 0.00 0.00 -0.00 0.00 0.00 54.13 54.38 2vlj s LEU 59 Cb -0.09 0.30 0.00 0.00 -0.00 0.00 0.00 46.19 46.41 2vlj s LEU 59 CO 0.00 -0.09 0.00 0.29 -0.00 0.00 0.00 176.35 176.55 2vlj n LYS 60 N 3.62 0.00 -0.06 1.48 5.02 -1.26 0.16 118.16 127.12 2vlj n LYS 60 Ca -0.20 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.21 2vlj n LYS 60 Cb 0.55 0.00 0.41 0.00 -0.02 0.00 0.00 35.03 35.97 2vlj n LYS 60 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2vlj n ARG 61 N 1.11 1.77 -3.46 1.97 1.74 -1.26 -4.93 116.66 113.60 2vlj n ARG 61 Ca 0.00 -1.14 -0.38 0.00 -0.77 0.00 0.00 57.85 55.56 2vlj n ARG 61 Cb 0.00 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 2vlj n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2vlj s LEU 62 N -1.72 4.48 -0.08 0.55 1.02 0.42 -2.91 118.68 120.43 2vlj s LEU 62 Ca 0.34 1.02 0.01 0.00 0.02 0.00 0.00 54.13 55.52 2vlj s LEU 62 Cb 0.19 -2.68 0.02 0.00 0.02 0.00 0.00 46.19 43.74 2vlj s LEU 62 CO 0.29 0.30 -0.08 -0.89 0.02 0.00 0.00 176.35 175.99 2vlj s THR 63 N -1.11 0.95 0.03 5.49 2.01 -0.23 -0.44 115.64 122.33 2vlj s THR 63 Ca 0.26 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 62.00 2vlj s THR 63 Cb -0.17 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 2vlj s THR 63 CO 0.15 0.33 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.95 2vlj s PHE 64 N 1.19 2.79 -0.03 4.92 0.08 0.12 -0.09 117.98 126.95 2vlj s PHE 64 Ca -0.05 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 56.90 2vlj s PHE 64 Cb -0.14 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.78 2vlj s PHE 64 CO -0.02 0.35 -0.05 -0.65 -0.10 0.00 0.00 175.22 174.75 2vlj s GLN 65 N -1.55 0.73 -0.20 0.44 -1.52 -0.89 -1.29 119.66 115.38 2vlj s GLN 65 Ca 0.17 -0.13 -0.18 0.00 -1.95 0.00 0.00 55.36 53.27 2vlj s GLN 65 Cb -0.11 -0.73 -0.03 0.00 -0.22 0.00 0.00 33.01 31.91 2vlj s GLN 65 CO 0.08 -0.02 0.50 0.12 -0.25 0.00 0.00 175.29 175.72 2vlj s PHE 66 N 0.64 3.38 0.59 0.91 5.36 -0.26 -1.84 117.98 126.76 2vlj s PHE 66 Ca -0.08 0.76 -0.18 0.00 -0.96 0.00 0.00 56.93 56.46 2vlj s PHE 66 Cb -0.12 -2.65 -0.05 0.00 -0.34 0.00 0.00 43.02 39.86 2vlj s PHE 66 CO 0.00 -0.08 0.91 0.41 -1.46 0.00 0.00 175.22 175.00 2vlj n GLY 67 N 3.86 -0.47 0.28 13.12 0.00 0.72 0.24 105.19 122.94 2vlj n GLY 67 Ca -0.05 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.89 2vlj n GLY 67 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vlj h ASP 68 N 0.48 0.31 -0.02 1.61 3.32 -1.89 -1.41 116.42 118.83 2vlj h ASP 68 Ca -0.48 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2vlj h ASP 68 Cb 1.37 0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.00 2vlj h ASP 68 CO 0.50 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 2vlj n ALA 69 N -2.50 2.61 -2.52 3.45 0.00 -1.26 -4.49 120.51 115.80 2vlj n ALA 69 Ca 0.15 -0.37 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 2vlj n ALA 69 Cb 0.42 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.61 2vlj n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2vlj n ARG 70 N -0.17 -2.26 0.00 0.00 1.74 -0.54 -4.70 116.66 110.72 2vlj n ARG 70 Ca 0.20 0.70 0.04 0.00 -0.77 0.00 0.00 57.85 58.02 2vlj n ARG 70 Cb 0.28 -5.05 -0.01 0.00 -1.02 0.00 0.00 32.46 26.66 2vlj n ARG 70 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2vlj n LYS 71 N -2.76 2.87 -4.03 5.56 5.02 -1.26 -1.00 118.16 122.56 2vlj n LYS 71 Ca -0.14 -0.38 -0.10 0.00 -2.02 0.00 0.00 58.31 55.68 2vlj n LYS 71 Cb 0.62 -0.98 -0.06 0.00 -0.02 0.00 0.00 35.03 34.59 2vlj n LYS 71 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2vlj s ASP 72 N -1.36 -0.05 -0.00 4.39 -4.77 -1.26 -0.25 116.67 113.37 2vlj s ASP 72 Ca 0.06 -1.01 -0.07 0.00 -3.30 0.00 0.00 52.55 48.22 2vlj s ASP 72 Cb 0.06 0.55 0.00 0.00 -1.09 0.00 0.00 42.92 42.45 2vlj s ASP 72 CO 0.24 -1.09 0.15 -0.55 0.70 0.00 0.00 175.17 174.62 2vlj s SER 73 N -3.04 0.01 0.13 2.11 0.15 -0.63 -0.20 113.70 112.22 2vlj s SER 73 Ca 0.25 -0.17 0.10 0.00 0.70 0.00 0.00 55.95 56.84 2vlj s SER 73 Cb 0.01 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 2vlj s SER 73 CO 0.09 -0.36 -0.25 -0.94 1.20 0.00 0.00 173.24 172.99 2vlj s SER 74 N -1.31 3.47 -0.17 5.45 1.04 -0.77 -1.98 113.70 119.43 2vlj s SER 74 Ca -0.14 -0.70 -0.00 0.00 0.48 0.00 0.00 55.95 55.59 2vlj s SER 74 Cb -0.07 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.74 2vlj s SER 74 CO 0.02 0.18 -0.14 -0.22 0.98 0.00 0.00 173.24 174.05 2vlj s LEU 75 N -2.07 2.46 -0.12 2.42 2.96 -0.01 -2.09 118.68 122.23 2vlj s LEU 75 Ca 0.15 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2vlj s LEU 75 Cb -0.10 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2vlj s LEU 75 CO 0.07 0.04 -0.05 -2.28 -1.32 0.00 0.00 176.35 172.81 2vlj s HIS 76 N 1.07 3.00 -0.07 5.38 5.65 0.87 0.21 115.29 131.39 2vlj s HIS 76 Ca -0.00 -0.16 0.05 0.00 0.25 0.00 0.00 55.06 55.19 2vlj s HIS 76 Cb -0.14 -1.86 -0.01 0.00 -1.18 0.00 0.00 32.58 29.39 2vlj s HIS 76 CO -0.04 0.12 -0.21 0.42 -0.65 0.00 0.00 174.74 174.38 2vlj s ILE 77 N -0.14 2.36 -0.17 0.89 1.01 0.12 -1.06 121.20 124.21 2vlj s ILE 77 Ca 0.02 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 2vlj s ILE 77 Cb -0.13 -1.89 -0.00 0.00 0.01 0.00 0.00 42.46 40.44 2vlj s ILE 77 CO 0.03 0.56 -0.13 -0.89 0.00 0.00 0.00 174.94 174.51 2vlj s THR 78 N -0.11 2.87 -1.25 2.92 2.01 -1.15 -0.85 115.64 120.08 2vlj s THR 78 Ca -0.04 -0.70 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 2vlj s THR 78 Cb -0.14 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 2vlj s THR 78 CO 0.04 0.50 0.65 0.00 -0.69 0.00 0.00 174.62 175.12 2vlj n ALA 79 N 4.15 -2.28 -1.57 7.40 0.00 -1.23 -4.89 120.51 122.08 2vlj n ALA 79 Ca -0.19 -0.23 -0.39 0.00 0.00 0.00 0.00 53.44 52.63 2vlj n ALA 79 Cb 0.52 -2.89 0.04 0.00 0.00 0.00 0.00 19.45 17.11 2vlj n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vlj n ALA 80 N -4.26 -0.21 -2.44 0.00 0.00 -0.61 -4.41 120.51 108.59 2vlj n ALA 80 Ca -0.20 0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.06 2vlj n ALA 80 Cb 0.64 -2.02 -0.10 0.00 0.00 0.00 0.00 19.45 17.97 2vlj n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2vlj s GLN 81 N -2.38 1.57 0.40 0.00 -0.21 -1.26 -0.62 119.66 117.15 2vlj s GLN 81 Ca 0.71 -1.68 0.22 0.00 0.02 0.00 0.00 55.36 54.62 2vlj s GLN 81 Cb -0.46 -1.62 1.22 0.00 1.00 0.00 0.00 33.01 33.15 2vlj s GLN 81 CO 0.51 0.30 1.69 -1.35 -2.12 0.00 0.00 175.29 174.33 2vlj h PRO 82 N 2.49 0.26 0.00 2.91 0.11 -1.89 0.24 132.00 136.11 2vlj h PRO 82 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2vlj h PRO 82 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2vlj h PRO 82 CO 0.58 0.17 0.00 0.41 -0.21 0.00 0.00 178.00 178.95 2vlj n GLY 83 N -1.45 -0.68 0.08 -0.55 0.00 -1.26 -2.31 105.19 99.03 2vlj n GLY 83 Ca 0.31 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.43 2vlj n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vlj n ASP 84 N -1.36 0.45 -4.64 1.61 8.00 0.83 -4.92 116.55 116.52 2vlj n ASP 84 Ca 0.04 -0.33 -0.46 0.00 0.71 0.00 0.00 54.79 54.75 2vlj n ASP 84 Cb 0.09 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 2vlj n ASP 84 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2vlj n THR 85 N -1.15 0.91 0.00 -3.53 -1.04 -0.98 -4.92 114.28 103.58 2vlj n THR 85 Ca 0.11 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2vlj n THR 85 Cb 0.31 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 2vlj n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2vlj n GLY 86 N 2.13 1.89 3.75 3.41 0.00 -0.97 -4.96 105.19 110.44 2vlj n GLY 86 Ca 0.13 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 2vlj n GLY 86 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vlj s LEU 87 N 0.00 4.36 -0.21 0.99 2.96 -0.38 -1.56 118.68 124.84 2vlj s LEU 87 Ca 0.00 1.04 -0.02 0.00 -0.22 0.00 0.00 54.13 54.93 2vlj s LEU 87 Cb 0.00 -2.85 0.01 0.00 0.50 0.00 0.00 46.19 43.85 2vlj s LEU 87 CO 0.00 0.05 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.67 2vlj s TYR 88 N 0.15 2.90 -0.07 5.38 1.51 -0.11 -0.61 117.35 126.51 2vlj s TYR 88 Ca 0.30 -1.26 0.02 0.00 -1.01 0.00 0.00 57.07 55.12 2vlj s TYR 88 Cb -0.17 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 2vlj s TYR 88 CO 0.15 -0.66 -0.11 -0.51 -1.11 0.00 0.00 175.55 173.30 2vlj s LEU 89 N 1.39 2.90 0.31 -1.29 1.43 -0.58 -1.60 118.68 121.25 2vlj s LEU 89 Ca 0.05 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 2vlj s LEU 89 Cb -0.14 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 2vlj s LEU 89 CO -0.07 0.33 0.32 0.00 0.23 0.00 0.00 176.35 177.15 2vlj s ALA 91 N -2.21 -1.79 0.06 0.00 0.00 -0.49 -1.59 121.76 115.74 2vlj s ALA 91 Ca 0.40 1.77 0.01 0.00 0.00 0.00 0.00 51.96 54.13 2vlj s ALA 91 Cb -0.07 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2vlj s ALA 91 CO 0.27 -0.35 -0.05 0.20 0.00 0.00 0.00 175.76 175.83 2vlj s GLY 92 N -0.21 0.56 -0.43 0.00 0.00 0.14 -0.25 107.32 107.13 2vlj s GLY 92 Ca -0.04 -1.08 -0.44 0.00 0.00 0.00 0.00 44.72 43.17 2vlj s GLY 92 CO 0.04 -1.16 1.77 0.00 0.00 0.00 0.00 173.10 173.75 2vlj n ALA 93 N 0.57 -0.61 -2.57 3.20 0.00 -0.92 -0.92 120.51 119.26 2vlj n ALA 93 Ca -0.17 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 2vlj n ALA 93 Cb 0.59 -2.07 -0.05 0.00 0.00 0.00 0.00 19.45 17.91 2vlj n ALA 93 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2vlj s GLY 94 N 3.95 2.32 0.00 0.00 0.00 -0.03 -4.76 107.32 108.81 2vlj s GLY 94 Ca 1.06 -0.39 0.24 0.00 0.00 0.00 0.00 44.72 45.64 2vlj s GLY 94 CO 0.73 -0.20 1.80 -1.14 0.00 0.00 0.00 173.10 174.29 2vlj n SER 95 N 0.65 0.00 -1.13 1.64 3.41 -1.26 -2.57 113.62 114.36 2vlj n SER 95 Ca -0.06 -0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.60 2vlj n SER 95 Cb 0.52 -0.31 0.27 0.00 -0.26 0.00 0.00 64.21 64.44 2vlj n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vlj n GLN 96 N -1.31 3.08 -2.09 4.33 1.13 -1.26 -4.96 117.38 116.31 2vlj n GLN 96 Ca 0.11 -2.94 0.00 0.00 -1.94 0.00 0.00 57.00 52.23 2vlj n GLN 96 Cb 0.20 -1.92 0.00 0.00 0.11 0.00 0.00 30.24 28.63 2vlj n GLN 96 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2vlj n GLY 97 N -0.43 0.50 2.88 1.08 0.00 -1.06 -5.06 105.19 103.09 2vlj n GLY 97 Ca 0.25 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 2vlj n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2vlj n ASN 98 N 1.89 0.72 -4.78 1.61 2.04 -1.26 -5.02 115.26 110.46 2vlj n ASN 98 Ca 0.00 -2.89 -0.36 0.00 -0.44 0.00 0.00 54.58 50.89 2vlj n ASN 98 Cb 0.50 1.04 -0.08 0.00 -2.53 0.00 0.00 39.78 38.71 2vlj n ASN 98 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2vlj s LEU 99 N 0.00 4.06 -0.25 -4.53 1.43 -1.26 -0.85 118.68 117.28 2vlj s LEU 99 Ca 0.22 0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.48 2vlj s LEU 99 Cb 0.01 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2vlj s LEU 99 CO 0.16 0.36 0.42 -0.63 0.23 0.00 0.00 176.35 176.89 2vlj s ILE 100 N -0.76 5.15 -0.11 -0.59 -1.09 -0.10 -4.88 121.20 118.82 2vlj s ILE 100 Ca 0.13 0.68 -0.05 0.00 -2.23 0.00 0.00 60.65 59.18 2vlj s ILE 100 Cb -0.12 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 2vlj s ILE 100 CO 0.03 0.16 0.08 -0.36 -1.23 0.00 0.00 174.94 173.61 2vlj s PHE 101 N 1.97 3.39 0.81 3.97 0.40 -1.26 -0.68 117.98 126.58 2vlj s PHE 101 Ca 0.17 0.35 -0.11 0.00 -0.60 0.00 0.00 56.93 56.74 2vlj s PHE 101 Cb -0.16 -1.90 0.08 0.00 0.51 0.00 0.00 43.02 41.56 2vlj s PHE 101 CO 0.09 0.56 1.10 0.20 0.70 0.00 0.00 175.22 177.88 2vlj s GLY 102 N -0.79 1.67 0.00 4.36 0.00 -0.62 -4.70 107.32 107.23 2vlj s GLY 102 Ca 0.13 0.30 0.29 0.00 0.00 0.00 0.00 44.72 45.44 2vlj s GLY 102 CO 0.03 0.67 1.98 0.28 0.00 0.00 0.00 173.10 176.06 2vlj n LYS 103 N -3.70 0.20 0.00 2.90 4.76 -1.26 -4.69 118.16 116.37 2vlj n LYS 103 Ca 0.09 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2vlj n LYS 103 Cb 0.53 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 2vlj n LYS 103 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2vlj n GLY 104 N 1.40 2.39 2.95 0.72 0.00 -1.26 -5.03 105.19 106.36 2vlj n GLY 104 Ca 0.10 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 2vlj n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vlj s THR 105 N -2.91 1.22 -0.45 2.61 2.01 -0.63 -4.54 115.64 112.96 2vlj s THR 105 Ca 0.00 -0.41 -0.21 0.00 0.31 0.00 0.00 61.69 61.38 2vlj s THR 105 Cb 0.00 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.34 2vlj s THR 105 CO 0.00 0.40 0.65 -0.75 -0.69 0.00 0.00 174.62 174.23 2vlj s LYS 106 N 1.61 3.27 -0.16 4.92 2.20 0.30 -0.94 119.74 130.94 2vlj s LYS 106 Ca 0.05 -0.39 -0.07 0.00 -0.36 0.00 0.00 55.97 55.19 2vlj s LYS 106 Cb -0.13 -3.96 -0.04 0.00 -1.51 0.00 0.00 37.83 32.19 2vlj s LYS 106 CO -0.09 -1.04 0.09 -1.17 -0.36 0.00 0.00 175.35 172.78 2vlj s LEU 107 N 2.85 4.00 -0.15 5.43 2.96 -0.60 -1.45 118.68 131.72 2vlj s LEU 107 Ca 0.23 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 2vlj s LEU 107 Cb -0.14 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.56 2vlj s LEU 107 CO 0.19 0.25 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.81 2vlj s SER 108 N -0.08 3.10 -0.21 3.68 0.01 -0.64 -2.29 113.70 117.27 2vlj s SER 108 Ca 0.08 -0.61 -0.05 0.00 1.31 0.00 0.00 55.95 56.67 2vlj s SER 108 Cb -0.12 -1.45 -0.02 0.00 0.21 0.00 0.00 66.02 64.64 2vlj s SER 108 CO 0.01 0.06 0.01 -0.69 0.41 0.00 0.00 173.24 173.04 2vlj s VAL 109 N 0.91 4.01 -0.01 3.43 1.01 -1.26 -1.13 120.40 127.36 2vlj s VAL 109 Ca -0.05 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2vlj s VAL 109 Cb -0.15 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 2vlj s VAL 109 CO -0.04 0.42 -0.03 -0.54 0.00 0.00 0.00 175.10 174.91 2vlj s LYS 110 N 1.06 2.71 0.75 2.72 1.02 -0.46 -4.39 119.74 123.15 2vlj s LYS 110 Ca 0.02 -0.63 -0.13 0.00 0.02 0.00 0.00 55.97 55.25 2vlj s LYS 110 Cb -0.14 -2.61 0.05 0.00 -0.52 0.00 0.00 37.83 34.60 2vlj s LYS 110 CO 0.02 0.63 1.14 -1.25 -0.92 0.00 0.00 175.35 174.96 2vlj s PRO 111 N -1.40 2.18 -0.44 -1.68 0.04 -1.26 -1.33 135.00 131.11 2vlj s PRO 111 Ca 0.18 1.48 -0.17 0.00 0.04 0.00 0.00 61.00 62.53 2vlj s PRO 111 Cb -0.11 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.59 2vlj s PRO 111 CO 0.08 -1.75 0.44 -0.80 0.04 0.00 0.00 177.00 175.01 2vlj s ASN 112 N -2.60 6.18 -0.38 6.66 0.01 -1.26 -4.72 114.94 118.83 2vlj s ASN 112 Ca 0.68 -0.80 -0.28 0.00 -0.71 0.00 0.00 52.86 51.74 2vlj s ASN 112 Cb -0.23 -2.22 -0.00 0.00 0.41 0.00 0.00 41.25 39.21 2vlj s ASN 112 CO 0.48 -0.61 1.62 -0.63 -1.51 0.00 0.00 177.10 176.45 2vlj s ILE 113 N 2.09 3.67 0.00 0.60 -1.09 -1.26 -4.97 121.20 120.24 2vlj s ILE 113 Ca 0.11 0.67 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 2vlj s ILE 113 Cb -0.18 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 2vlj s ILE 113 CO 0.12 -0.61 0.96 0.00 -1.23 0.00 0.00 174.94 174.18 2vlj n GLN 114 N 8.31 0.00 -3.47 2.79 1.13 -1.26 -4.36 117.38 120.53 2vlj n GLN 114 Ca 0.20 0.85 -0.27 0.00 -1.94 0.00 0.00 57.00 55.83 2vlj n GLN 114 Cb 0.48 -1.46 -0.09 0.00 0.11 0.00 0.00 30.24 29.28 2vlj n GLN 114 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2vlj n ASN 115 N -2.63 3.21 -4.74 1.08 3.02 -1.26 -5.09 115.26 108.85 2vlj n ASN 115 Ca 0.00 -3.31 -0.41 0.00 -0.03 0.00 0.00 54.58 50.83 2vlj n ASN 115 Cb 0.00 -0.68 0.01 0.00 -0.61 0.00 0.00 39.78 38.50 2vlj n ASN 115 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2vlj n PRO 116 N 1.10 2.27 -3.17 3.52 -0.04 -1.26 -4.95 135.00 132.47 2vlj n PRO 116 Ca 0.28 0.80 -0.19 0.00 -0.04 0.00 0.00 63.50 64.35 2vlj n PRO 116 Cb 0.42 -2.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.31 2vlj n PRO 116 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2vlj n ASP 117 N 0.27 0.47 -4.68 3.54 2.03 0.10 -5.00 116.55 113.29 2vlj n ASP 117 Ca 0.04 -2.95 -0.44 0.00 0.52 0.00 0.00 54.79 51.96 2vlj n ASP 117 Cb 0.39 -0.50 -0.02 0.00 -0.72 0.00 0.00 41.12 40.28 2vlj n ASP 117 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2vlj n PRO 118 N 0.62 2.02 -3.56 -0.67 -0.04 -1.24 -4.69 135.00 127.45 2vlj n PRO 118 Ca 0.23 0.72 -0.15 0.00 -0.04 0.00 0.00 63.50 64.26 2vlj n PRO 118 Cb 0.62 -2.33 -0.06 0.00 -0.04 0.00 0.00 33.50 31.70 2vlj n PRO 118 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2vlj s ALA 119 N -0.50 -1.83 -0.20 0.55 0.00 -0.73 -1.03 121.76 118.03 2vlj s ALA 119 Ca 0.63 1.56 0.01 0.00 0.00 0.00 0.00 51.96 54.16 2vlj s ALA 119 Cb -0.62 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.02 2vlj s ALA 119 CO 0.55 -0.34 -0.18 0.08 0.00 0.00 0.00 175.76 175.87 2vlj s VAL 120 N -0.77 2.07 -0.05 0.00 1.01 -0.34 -1.13 120.40 121.17 2vlj s VAL 120 Ca -0.06 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.87 2vlj s VAL 120 Cb -0.01 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2vlj s VAL 120 CO 0.05 0.41 -0.14 -0.31 0.00 0.00 0.00 175.10 175.11 2vlj s TYR 121 N 1.26 2.71 -0.14 5.22 2.02 -0.57 -4.29 117.35 123.56 2vlj s TYR 121 Ca 0.02 -0.18 -0.17 0.00 -0.37 0.00 0.00 57.07 56.37 2vlj s TYR 121 Cb -0.15 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 2vlj s TYR 121 CO -0.11 0.17 0.41 -1.14 -1.57 0.00 0.00 175.55 173.31 2vlj s GLN 122 N -0.67 4.30 -0.11 -0.62 0.74 -1.26 -1.07 119.66 120.97 2vlj s GLN 122 Ca 0.10 0.32 -0.02 0.00 0.05 0.00 0.00 55.36 55.81 2vlj s GLN 122 Cb -0.11 -3.44 -0.03 0.00 1.10 0.00 0.00 33.01 30.53 2vlj s GLN 122 CO 0.01 0.16 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.38 2vlj s LEU 123 N 0.64 3.43 0.08 3.68 1.02 -0.81 -5.02 118.68 121.70 2vlj s LEU 123 Ca 0.22 0.04 -0.02 0.00 0.02 0.00 0.00 54.13 54.39 2vlj s LEU 123 Cb -0.14 -1.79 -0.05 0.00 0.02 0.00 0.00 46.19 44.23 2vlj s LEU 123 CO 0.08 0.31 0.26 0.00 0.02 0.00 0.00 176.35 177.02 2vlj s ARG 124 N -0.48 3.50 0.80 1.70 3.03 -1.26 -2.96 118.95 123.28 2vlj s ARG 124 Ca 0.08 -0.30 -0.13 0.00 2.03 0.00 0.00 55.73 57.41 2vlj s ARG 124 Cb -0.12 -2.99 0.08 0.00 -1.03 0.00 0.00 34.95 30.89 2vlj s ARG 124 CO 0.02 0.58 1.17 0.34 -1.13 0.00 0.00 175.30 176.28 2vlj s ASP 125 N -2.39 3.81 0.04 -2.89 -1.08 -1.02 -4.76 116.67 108.39 2vlj s ASP 125 Ca 0.36 2.23 0.02 0.00 -0.52 0.00 0.00 52.55 54.64 2vlj s ASP 125 Cb -0.13 -2.57 -0.25 0.00 -1.46 0.00 0.00 42.92 38.51 2vlj s ASP 125 CO 0.25 -2.51 0.97 0.77 0.52 0.00 0.00 175.17 175.17 2vlj h SER 126 N -0.92 0.24 0.00 -0.34 4.64 -1.98 -3.30 113.55 111.88 2vlj h SER 126 Ca -0.46 -0.31 -0.07 0.00 -0.47 0.00 0.00 61.79 60.48 2vlj h SER 126 Cb 1.28 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2vlj h SER 126 CO 0.47 1.26 -1.89 2.29 -0.87 0.00 0.00 176.83 178.09 2vlj n LYS 127 N -3.38 0.71 -2.05 4.77 2.85 -1.26 -4.59 118.16 115.21 2vlj n LYS 127 Ca -0.11 -0.13 -0.30 0.00 -1.05 0.00 0.00 58.31 56.72 2vlj n LYS 127 Cb 1.02 -1.43 0.03 0.00 -0.65 0.00 0.00 35.03 34.00 2vlj n LYS 127 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2vlj n SER 128 N -2.23 5.78 -1.88 -5.58 2.88 -1.26 -5.04 113.62 106.28 2vlj n SER 128 Ca -0.09 -3.76 -0.07 0.00 -1.33 0.00 0.00 58.87 53.62 2vlj n SER 128 Cb 0.60 -0.62 -0.07 0.00 -0.75 0.00 0.00 64.21 63.37 2vlj n SER 128 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2vlj n SER 129 N -0.63 -0.71 0.00 -3.46 3.41 -1.24 -1.82 113.62 109.17 2vlj n SER 129 Ca 0.47 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2vlj n SER 129 Cb 0.68 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2vlj n SER 129 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2vlj n ASP 130 N 2.25 0.00 -4.27 4.04 -0.08 -1.26 -4.85 116.55 112.38 2vlj n ASP 130 Ca 0.21 0.00 -0.60 0.00 -1.51 0.00 0.00 54.79 52.89 2vlj n ASP 130 Cb 0.11 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.45 2vlj n ASP 130 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2vlj n LYS 131 N 0.00 0.03 -4.20 -0.67 4.81 -0.75 -4.56 118.16 112.82 2vlj n LYS 131 Ca 0.00 0.01 -0.19 0.00 -0.87 0.00 0.00 58.31 57.26 2vlj n LYS 131 Cb 0.00 -1.53 -0.12 0.00 0.02 0.00 0.00 35.03 33.40 2vlj n LYS 131 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2vlj s SER 132 N 5.95 1.82 0.17 3.14 1.04 -1.26 -2.43 113.70 122.14 2vlj s SER 132 Ca 1.19 -0.68 0.09 0.00 0.48 0.00 0.00 55.95 57.04 2vlj s SER 132 Cb -1.48 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 64.54 2vlj s SER 132 CO 0.66 -0.09 -0.14 0.68 0.98 0.00 0.00 173.24 175.33 2vlj s VAL 133 N -1.51 2.97 -0.18 5.02 -7.23 -1.15 -4.33 120.40 113.98 2vlj s VAL 133 Ca 0.02 -1.67 -0.04 0.00 -1.81 0.00 0.00 61.98 58.47 2vlj s VAL 133 Cb -0.09 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 2vlj s VAL 133 CO 0.03 -0.05 -0.02 0.00 -0.31 0.00 0.00 175.10 174.75 2vlj s LEU 135 N 0.74 5.02 -0.33 0.00 2.96 -0.23 -0.61 118.68 126.22 2vlj s LEU 135 Ca -0.01 -1.42 -0.23 0.00 -0.22 0.00 0.00 54.13 52.25 2vlj s LEU 135 Cb -0.14 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.58 2vlj s LEU 135 CO 0.02 -0.50 0.76 0.12 -1.32 0.00 0.00 176.35 175.43 2vlj s PHE 136 N 1.43 3.16 0.05 5.38 5.36 -0.36 -1.51 117.98 131.49 2vlj s PHE 136 Ca 0.02 0.66 -0.01 0.00 -0.96 0.00 0.00 56.93 56.64 2vlj s PHE 136 Cb -0.22 -3.26 -0.04 0.00 -0.34 0.00 0.00 43.02 39.16 2vlj s PHE 136 CO 0.02 -0.63 -0.02 -0.08 -1.46 0.00 0.00 175.22 173.06 2vlj s THR 137 N 2.96 0.21 -0.19 0.12 -1.32 -0.29 -0.45 115.64 116.69 2vlj s THR 137 Ca 0.31 -1.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 2vlj s THR 137 Cb -0.14 -1.48 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 2vlj s THR 137 CO 0.14 -0.97 0.00 0.47 -2.21 0.00 0.00 174.62 172.05 2vlj n ASP 138 N 0.14 -3.38 -4.87 8.08 8.00 -0.31 -1.77 116.55 122.44 2vlj n ASP 138 Ca -0.14 0.04 -0.31 0.00 0.71 0.00 0.00 54.79 55.09 2vlj n ASP 138 Cb 0.61 -1.03 -0.04 0.00 -0.02 0.00 0.00 41.12 40.63 2vlj n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2vlj s PHE 139 N -2.01 3.44 0.98 1.24 -0.71 -1.26 0.01 117.98 119.67 2vlj s PHE 139 Ca 0.00 0.99 -0.13 0.00 -1.04 0.00 0.00 56.93 56.75 2vlj s PHE 139 Cb 0.00 -2.38 0.06 0.00 -1.21 0.00 0.00 43.02 39.49 2vlj s PHE 139 CO 0.00 0.03 0.43 -0.40 -1.34 0.00 0.00 175.22 173.94 2vlj n ASP 140 N -0.89 -1.91 -0.29 1.98 5.75 -1.26 -4.42 116.55 115.51 2vlj n ASP 140 Ca 0.02 0.26 0.07 0.00 -0.01 0.00 0.00 54.79 55.13 2vlj n ASP 140 Cb 0.54 -1.20 0.31 0.00 -1.03 0.00 0.00 41.12 39.74 2vlj n ASP 140 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2vlj n SER 141 N -1.71 0.85 0.01 -1.12 7.64 -1.26 -2.93 113.62 115.09 2vlj n SER 141 Ca 0.06 -1.73 0.11 0.00 1.01 0.00 0.00 58.87 58.32 2vlj n SER 141 Cb 0.55 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 2vlj n SER 141 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vlj n GLN 142 N -0.15 0.21 -2.15 1.43 3.00 -1.26 -4.90 117.38 113.55 2vlj n GLN 142 Ca 0.11 -0.04 -0.43 0.00 -0.01 0.00 0.00 57.00 56.64 2vlj n GLN 142 Cb 0.17 -1.53 -0.02 0.00 0.00 0.00 0.00 30.24 28.86 2vlj n GLN 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2vlj s THR 143 N -3.15 3.78 0.10 5.09 2.01 -1.15 -5.05 115.64 117.27 2vlj s THR 143 Ca 0.04 0.90 -0.11 0.00 0.31 0.00 0.00 61.69 62.82 2vlj s THR 143 Cb 0.15 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 2vlj s THR 143 CO 0.84 -0.25 0.45 0.20 -0.69 0.00 0.00 174.62 175.17 2vlj s ASN 144 N 3.72 6.69 -0.26 3.53 0.01 -1.26 -5.03 114.94 122.35 2vlj s ASN 144 Ca 0.69 0.88 -0.09 0.00 -0.71 0.00 0.00 52.86 53.63 2vlj s ASN 144 Cb -0.25 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 2vlj s ASN 144 CO 0.27 0.14 0.12 -0.69 -1.51 0.00 0.00 177.10 175.43 2vlj s VAL 145 N -1.43 4.74 0.58 1.60 1.01 -1.26 -4.40 120.40 121.24 2vlj s VAL 145 Ca 0.35 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 2vlj s VAL 145 Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2vlj s VAL 145 CO 0.19 0.31 0.96 -0.44 0.00 0.00 0.00 175.10 176.12 2vlj s SER 146 N 1.60 6.22 1.10 3.32 0.01 -1.26 -4.89 113.70 119.80 2vlj s SER 146 Ca 0.06 1.27 -0.16 0.00 1.31 0.00 0.00 55.95 58.44 2vlj s SER 146 Cb -0.15 -2.39 0.24 0.00 0.21 0.00 0.00 66.02 63.92 2vlj s SER 146 CO 0.06 -0.80 1.11 -1.10 0.41 0.00 0.00 173.24 172.93 2vlj s GLN 147 N -5.06 -0.41 -0.06 12.44 -0.21 -1.26 -4.84 119.66 120.26 2vlj s GLN 147 Ca 0.53 0.15 -0.30 0.00 0.02 0.00 0.00 55.36 55.76 2vlj s GLN 147 Cb -0.11 -1.67 -0.04 0.00 1.00 0.00 0.00 33.01 32.19 2vlj s GLN 147 CO 0.51 -3.22 1.35 -1.12 -2.12 0.00 0.00 175.29 170.69 2vlj s SER 148 N -3.78 6.90 0.43 5.90 0.01 -1.26 -4.88 113.70 117.01 2vlj s SER 148 Ca 0.69 1.95 0.30 0.00 1.31 0.00 0.00 55.95 60.20 2vlj s SER 148 Cb -0.13 -2.55 1.22 0.00 0.21 0.00 0.00 66.02 64.77 2vlj s SER 148 CO 0.56 -0.72 1.87 0.50 0.41 0.00 0.00 173.24 175.87 2vlj h LYS 149 N 8.01 0.00 -6.52 12.44 1.63 -1.92 -3.44 116.57 126.78 2vlj h LYS 149 Ca -0.34 0.00 -0.70 0.00 -0.85 0.00 0.00 60.65 58.76 2vlj h LYS 149 Cb 1.16 0.00 -0.27 0.00 -0.60 0.00 0.00 32.23 32.51 2vlj h LYS 149 CO 0.92 0.00 -0.85 0.34 -3.45 0.00 0.00 179.45 176.41 2vlj s ASP 150 N -5.05 3.41 0.06 4.20 2.15 -1.26 -5.07 116.67 115.10 2vlj s ASP 150 Ca 0.02 -0.38 0.27 0.00 0.43 0.00 0.00 52.55 52.89 2vlj s ASP 150 Cb 0.09 -0.52 0.90 0.00 -0.30 0.00 0.00 42.92 43.09 2vlj s ASP 150 CO 0.47 0.32 1.72 -0.24 -0.17 0.00 0.00 175.17 177.28 2vlj n SER 151 N 2.34 0.35 -0.81 -0.34 2.88 -1.26 -2.78 113.62 114.00 2vlj n SER 151 Ca -0.16 0.32 0.07 0.00 -1.33 0.00 0.00 58.87 57.76 2vlj n SER 151 Cb 0.51 -0.33 0.21 0.00 -0.75 0.00 0.00 64.21 63.85 2vlj n SER 151 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2vlj n ASP 152 N -1.73 3.40 -4.63 -3.46 5.68 -1.26 -4.86 116.55 109.69 2vlj n ASP 152 Ca 0.06 -2.36 -0.38 0.00 -0.50 0.00 0.00 54.79 51.61 2vlj n ASP 152 Cb 0.37 -0.36 -0.09 0.00 -1.14 0.00 0.00 41.12 39.90 2vlj n ASP 152 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2vlj s VAL 153 N -1.65 5.23 -0.19 2.12 1.01 -1.12 -4.27 120.40 121.54 2vlj s VAL 153 Ca 0.32 0.50 -0.06 0.00 0.00 0.00 0.00 61.98 62.74 2vlj s VAL 153 Cb 0.21 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 2vlj s VAL 153 CO 0.15 0.23 0.02 -0.31 0.00 0.00 0.00 175.10 175.19 2vlj s TYR 154 N 1.64 3.12 -0.02 5.22 2.02 0.31 -4.73 117.35 124.91 2vlj s TYR 154 Ca 0.14 -0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.64 2vlj s TYR 154 Cb -0.15 -2.07 0.01 0.00 -0.40 0.00 0.00 41.96 39.35 2vlj s TYR 154 CO 0.08 -0.05 -0.02 0.42 -1.57 0.00 0.00 175.55 174.41 2vlj s ILE 155 N 0.67 0.28 0.32 2.71 1.01 -1.26 -0.51 121.20 124.43 2vlj s ILE 155 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 2vlj s ILE 155 Cb -0.14 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 2vlj s ILE 155 CO 0.02 0.13 0.53 0.42 0.00 0.00 0.00 174.94 176.05 2vlj s THR 156 N 0.56 5.10 0.84 2.92 -4.23 -0.79 -4.84 115.64 115.21 2vlj s THR 156 Ca -0.06 -0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.01 2vlj s THR 156 Cb -0.09 -3.82 0.10 0.00 1.34 0.00 0.00 72.50 70.04 2vlj s THR 156 CO -0.01 -0.46 1.15 -1.81 -0.54 0.00 0.00 174.62 172.95 2vlj s ASP 157 N -3.73 3.52 0.33 3.99 1.11 -1.26 -4.58 116.67 116.04 2vlj s ASP 157 Ca 0.41 2.16 -0.27 0.00 0.18 0.00 0.00 52.55 55.03 2vlj s ASP 157 Cb -0.10 -2.56 -0.09 0.00 1.07 0.00 0.00 42.92 41.23 2vlj s ASP 157 CO 0.34 -2.71 1.09 -1.59 1.18 0.00 0.00 175.17 173.48 2vlj s LYS 158 N -4.52 4.44 0.04 8.23 -2.85 -1.26 -4.68 119.74 119.13 2vlj s LYS 158 Ca 0.67 1.71 0.02 0.00 -1.00 0.00 0.00 55.97 57.37 2vlj s LYS 158 Cb -0.23 -2.93 -0.02 0.00 -2.06 0.00 0.00 37.83 32.58 2vlj s LYS 158 CO 0.55 0.06 -0.07 0.95 0.10 0.00 0.00 175.35 176.93 2vlj s THR 159 N -1.35 0.49 -0.01 3.79 -4.23 -0.88 -4.98 115.64 108.48 2vlj s THR 159 Ca 0.50 -1.01 -0.17 0.00 -1.18 0.00 0.00 61.69 59.83 2vlj s THR 159 Cb -0.28 -0.56 -0.06 0.00 1.34 0.00 0.00 72.50 72.94 2vlj s THR 159 CO 0.36 -0.36 0.46 -0.69 -0.54 0.00 0.00 174.62 173.86 2vlj s VAL 160 N -1.30 4.99 -0.05 2.29 1.01 -1.26 -2.04 120.40 124.04 2vlj s VAL 160 Ca -0.10 0.96 0.05 0.00 0.00 0.00 0.00 61.98 62.90 2vlj s VAL 160 Cb -0.09 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 2vlj s VAL 160 CO 0.00 0.52 -0.21 -0.22 0.00 0.00 0.00 175.10 175.19 2vlj s LEU 161 N -0.71 2.00 -0.29 3.92 0.20 -0.38 -4.98 118.68 118.44 2vlj s LEU 161 Ca 0.26 -0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.66 2vlj s LEU 161 Cb -0.17 -1.17 0.07 0.00 -0.43 0.00 0.00 46.19 44.49 2vlj s LEU 161 CO 0.14 0.20 -0.03 -0.62 -0.29 0.00 0.00 176.35 175.75 2vlj s ASP 162 N -0.10 4.69 -1.04 3.68 2.15 -1.26 -1.47 116.67 123.32 2vlj s ASP 162 Ca -0.03 -1.51 -0.23 0.00 0.43 0.00 0.00 52.55 51.21 2vlj s ASP 162 Cb -0.12 -1.63 0.03 0.00 -0.30 0.00 0.00 42.92 40.90 2vlj s ASP 162 CO 0.03 -0.26 1.59 -0.04 -0.17 0.00 0.00 175.17 176.31 2vlj s MET 163 N 1.12 3.42 0.32 4.34 -1.94 -0.10 -4.87 119.30 121.59 2vlj s MET 163 Ca -0.04 -1.08 0.10 0.00 -1.71 0.00 0.00 55.69 52.96 2vlj s MET 163 Cb -0.20 -5.32 0.93 0.00 2.01 0.00 0.00 34.83 32.24 2vlj s MET 163 CO -0.04 -2.48 1.68 0.00 -0.01 0.00 0.00 175.02 174.16 2vlj h ARG 164 N 9.79 0.35 -0.87 2.03 2.47 -1.96 -1.83 114.38 124.36 2vlj h ARG 164 Ca 0.21 -0.02 -0.16 0.00 -1.26 0.00 0.00 59.98 58.75 2vlj h ARG 164 Cb 0.99 -0.08 -0.09 0.00 -1.65 0.00 0.00 29.97 29.14 2vlj h ARG 164 CO 1.39 0.23 0.20 -1.13 0.56 0.00 0.00 179.97 181.22 2vlj n SER 165 N -5.05 3.67 0.00 7.04 3.41 -1.26 -3.62 113.62 117.80 2vlj n SER 165 Ca 0.27 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 2vlj n SER 165 Cb 0.83 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2vlj n SER 165 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2vlj n MET 166 N -0.06 0.00 -1.18 4.33 2.81 -0.69 -4.99 117.12 117.33 2vlj n MET 166 Ca 0.27 -0.06 -0.06 0.00 -1.81 0.00 0.00 57.70 56.03 2vlj n MET 166 Cb 1.02 -0.41 -0.03 0.00 -0.71 0.00 0.00 33.22 33.10 2vlj n MET 166 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2vlj n ASP 167 N 0.00 -5.74 -4.57 7.83 10.43 -1.22 -4.94 116.55 118.34 2vlj n ASP 167 Ca 0.00 0.15 -0.42 0.00 2.57 0.00 0.00 54.79 57.09 2vlj n ASP 167 Cb 0.29 -3.78 -0.06 0.00 1.84 0.00 0.00 41.12 39.41 2vlj n ASP 167 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 2vlj s PHE 168 N -1.56 3.11 0.08 1.24 5.36 -1.24 -5.00 117.98 119.97 2vlj s PHE 168 Ca 0.00 0.42 -0.04 0.00 -0.96 0.00 0.00 56.93 56.35 2vlj s PHE 168 Cb 0.00 -3.35 -0.05 0.00 -0.34 0.00 0.00 43.02 39.28 2vlj s PHE 168 CO 0.00 -0.74 0.30 0.15 -1.46 0.00 0.00 175.22 173.47 2vlj s LYS 169 N 2.99 3.56 0.01 10.12 3.01 -1.26 -0.93 119.74 137.25 2vlj s LYS 169 Ca 0.29 -0.17 -0.09 0.00 -1.01 0.00 0.00 55.97 54.99 2vlj s LYS 169 Cb -0.13 -2.97 0.01 0.00 -1.01 0.00 0.00 37.83 33.72 2vlj s LYS 169 CO 0.17 0.56 0.18 -1.54 0.51 0.00 0.00 175.35 175.23 2vlj s SER 170 N -2.22 -0.02 0.09 2.83 1.04 -0.54 -4.95 113.70 109.95 2vlj s SER 170 Ca 0.35 -0.18 -0.04 0.00 0.48 0.00 0.00 55.95 56.57 2vlj s SER 170 Cb -0.13 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.18 2vlj s SER 170 CO 0.23 -0.42 0.31 0.20 0.98 0.00 0.00 173.24 174.53 2vlj s ASN 171 N -1.51 6.45 0.13 7.02 0.01 -1.26 -1.25 114.94 124.54 2vlj s ASN 171 Ca -0.13 0.49 -0.10 0.00 -0.71 0.00 0.00 52.86 52.41 2vlj s ASN 171 Cb -0.06 -2.05 -0.00 0.00 0.41 0.00 0.00 41.25 39.55 2vlj s ASN 171 CO 0.01 0.12 0.26 -0.94 -1.51 0.00 0.00 177.10 175.05 2vlj s SER 172 N -2.33 0.04 0.02 -1.22 1.04 -0.87 -1.16 113.70 109.22 2vlj s SER 172 Ca 0.37 -0.71 -0.05 0.00 0.48 0.00 0.00 55.95 56.04 2vlj s SER 172 Cb -0.13 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 2vlj s SER 172 CO 0.24 -0.83 0.08 0.00 0.98 0.00 0.00 173.24 173.72 2vlj s ALA 173 N -3.90 -0.11 0.02 5.32 0.00 0.41 -2.07 121.76 121.43 2vlj s ALA 173 Ca 0.10 -0.42 0.07 0.00 0.00 0.00 0.00 51.96 51.72 2vlj s ALA 173 Cb 0.04 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 2vlj s ALA 173 CO -0.06 -0.24 -0.20 0.08 0.00 0.00 0.00 175.76 175.34 2vlj s VAL 174 N -1.94 2.63 0.01 0.00 1.01 -1.26 -1.23 120.40 119.62 2vlj s VAL 174 Ca -0.11 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.76 2vlj s VAL 174 Cb -0.05 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 2vlj s VAL 174 CO -0.02 0.40 -0.11 0.00 0.00 0.00 0.00 175.10 175.38 2vlj s ALA 175 N -0.84 0.91 0.20 5.51 0.00 0.22 -1.89 121.76 125.87 2vlj s ALA 175 Ca 0.13 -0.55 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 2vlj s ALA 175 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 2vlj s ALA 175 CO 0.03 0.20 0.36 1.67 0.00 0.00 0.00 175.76 178.02 2vlj s TRP 176 N -0.46 0.42 -0.06 0.00 -2.14 0.34 0.45 118.94 117.49 2vlj s TRP 176 Ca 0.02 -0.77 -0.30 0.00 2.66 0.00 0.00 56.10 57.72 2vlj s TRP 176 Cb -0.05 0.01 0.11 0.00 -3.10 0.00 0.00 33.47 30.44 2vlj s TRP 176 CO 0.00 -0.82 0.93 0.45 -2.66 0.00 0.00 176.95 174.85 2vlj s SER 177 N -3.00 -0.36 0.32 -2.66 0.15 -1.26 -0.53 113.70 106.37 2vlj s SER 177 Ca 0.21 0.13 0.22 0.00 0.70 0.00 0.00 55.95 57.21 2vlj s SER 177 Cb 0.02 0.35 0.17 0.00 -1.71 0.00 0.00 66.02 64.85 2vlj s SER 177 CO 0.04 -0.52 1.34 0.78 1.20 0.00 0.00 173.24 176.08 2vlj h ASN 178 N 2.18 0.00 -3.98 5.45 4.21 -1.95 -3.45 115.58 118.04 2vlj h ASN 178 Ca -0.20 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 56.80 2vlj h ASN 178 Cb 1.21 0.00 0.06 0.00 -1.12 0.00 0.00 38.32 38.47 2vlj h ASN 178 CO 0.31 0.02 0.49 -0.54 -1.29 0.00 0.00 177.43 176.42 2vlj s LYS 179 N -3.27 3.89 0.24 0.81 -0.14 -1.26 -4.96 119.74 115.05 2vlj s LYS 179 Ca 0.03 1.80 -0.04 0.00 -1.36 0.00 0.00 55.97 56.40 2vlj s LYS 179 Cb 0.07 -2.52 0.40 0.00 -1.68 0.00 0.00 37.83 34.10 2vlj s LYS 179 CO 0.73 -0.45 1.80 1.03 -0.76 0.00 0.00 175.35 177.70 2vlj h SER 180 N 2.29 0.63 -0.34 2.83 0.87 -2.01 -2.63 113.55 115.20 2vlj h SER 180 Ca -0.49 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2vlj h SER 180 Cb 1.24 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2vlj h SER 180 CO 0.61 0.35 0.00 -0.90 -0.53 0.00 0.00 176.83 176.36 2vlj n ASP 181 N -4.77 2.89 -4.72 6.23 5.68 -1.26 -4.93 116.55 115.66 2vlj n ASP 181 Ca 0.13 -1.91 -0.42 0.00 -0.50 0.00 0.00 54.79 52.09 2vlj n ASP 181 Cb 0.29 -0.22 -0.03 0.00 -1.14 0.00 0.00 41.12 40.02 2vlj n ASP 181 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2vlj s PHE 182 N -1.57 3.37 0.22 2.11 2.19 -0.99 -4.99 117.98 118.31 2vlj s PHE 182 Ca 0.37 1.25 -0.13 0.00 0.33 0.00 0.00 56.93 58.75 2vlj s PHE 182 Cb 0.21 -3.51 0.00 0.00 -1.31 0.00 0.00 43.02 38.41 2vlj s PHE 182 CO 0.29 -1.59 0.44 0.00 1.83 0.00 0.00 175.22 176.20 2vlj s ALA 183 N 0.59 -0.31 -0.68 11.12 0.00 -1.26 -5.03 121.76 126.18 2vlj s ALA 183 Ca 0.58 -0.76 0.25 0.00 0.00 0.00 0.00 51.96 52.03 2vlj s ALA 183 Cb -0.33 0.99 0.88 0.00 0.00 0.00 0.00 23.12 24.65 2vlj s ALA 183 CO 0.33 -0.80 1.76 0.00 0.00 0.00 0.00 175.76 177.05 2vlj h ALA 185 N 2.48 1.07 0.00 0.00 0.00 -1.97 -3.29 119.26 117.55 2vlj h ALA 185 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2vlj h ALA 185 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2vlj h ALA 185 CO 0.00 0.60 -0.58 0.27 0.00 0.00 0.00 179.25 179.54 2vlj n ASN 186 N -4.03 0.58 -0.29 0.00 0.23 -1.20 -4.73 115.26 105.82 2vlj n ASN 186 Ca -0.01 -0.79 0.08 0.00 -0.53 0.00 0.00 54.58 53.32 2vlj n ASN 186 Cb 0.48 1.00 0.19 0.00 -2.08 0.00 0.00 39.78 39.37 2vlj n ASN 186 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2vlj h ALA 187 N 1.74 0.88 -0.47 -2.53 0.00 -1.54 -2.21 119.26 115.12 2vlj h ALA 187 Ca 0.00 0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.95 2vlj h ALA 187 Cb 0.29 0.51 -0.15 0.00 0.00 0.00 0.00 17.79 18.44 2vlj h ALA 187 CO 0.00 -0.46 0.00 1.19 0.00 0.00 0.00 179.25 179.98 2vlj n PHE 188 N -5.42 1.46 -0.34 0.00 3.01 -1.26 -4.70 117.46 110.21 2vlj n PHE 188 Ca 0.17 -1.72 0.05 0.00 1.01 0.00 0.00 57.45 56.96 2vlj n PHE 188 Cb 0.56 -0.58 0.23 0.00 -0.01 0.00 0.00 39.48 39.68 2vlj n PHE 188 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2vlj h ASN 189 N 1.08 0.94 0.01 4.37 4.21 -1.69 -2.33 115.58 122.17 2vlj h ASN 189 Ca 0.29 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.82 2vlj h ASN 189 Cb 1.78 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 38.81 2vlj h ASN 189 CO 0.53 0.57 0.00 -3.20 -1.29 0.00 0.00 177.43 174.04 2vlj n ASN 190 N -4.53 0.00 -4.87 5.81 5.15 -1.26 -4.80 115.26 110.76 2vlj n ASN 190 Ca 0.16 -0.86 -0.31 0.00 -0.60 0.00 0.00 54.58 52.96 2vlj n ASN 190 Cb 0.25 -0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.45 2vlj n ASN 190 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2vlj s SER 191 N -2.01 6.08 -0.42 1.20 0.01 -0.88 -4.63 113.70 113.06 2vlj s SER 191 Ca 0.42 0.19 -0.29 0.00 1.31 0.00 0.00 55.95 57.58 2vlj s SER 191 Cb 0.19 -1.81 0.02 0.00 0.21 0.00 0.00 66.02 64.63 2vlj s SER 191 CO 0.32 0.19 1.21 -0.63 0.41 0.00 0.00 173.24 174.74 2vlj s ILE 192 N -1.44 4.18 -0.03 1.44 -1.09 -1.26 -5.00 121.20 117.99 2vlj s ILE 192 Ca 0.32 1.25 0.06 0.00 -2.23 0.00 0.00 60.65 60.05 2vlj s ILE 192 Cb -0.13 -4.43 -0.02 0.00 -1.58 0.00 0.00 42.46 36.30 2vlj s ILE 192 CO 0.25 -0.80 -0.22 -0.63 -1.23 0.00 0.00 174.94 172.30 2vlj s ILE 193 N 4.53 2.35 0.20 2.92 1.09 -1.26 -4.65 121.20 126.37 2vlj s ILE 193 Ca 0.51 -0.99 -0.31 0.00 -1.10 0.00 0.00 60.65 58.76 2vlj s ILE 193 Cb -0.10 -1.85 -0.16 0.00 -1.06 0.00 0.00 42.46 39.29 2vlj s ILE 193 CO 0.28 0.58 1.02 -2.65 -0.10 0.00 0.00 174.94 174.07 2vlj n PRO 194 N 2.47 0.97 -0.31 2.79 -0.02 -1.26 -4.88 135.00 134.76 2vlj n PRO 194 Ca -0.16 0.35 0.07 0.00 -2.02 0.00 0.00 63.50 61.73 2vlj n PRO 194 Cb 0.51 -1.73 0.22 0.00 -0.02 0.00 0.00 33.50 32.49 2vlj n PRO 194 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2vlj h GLU 195 N 2.59 0.72 -0.74 -0.52 4.39 -2.01 -2.02 114.58 116.99 2vlj h GLU 195 Ca -0.40 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2vlj h GLU 195 Cb 1.36 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2vlj h GLU 195 CO 0.65 0.48 0.00 -0.25 -1.16 0.00 0.00 179.01 178.73 2vlj n ASP 196 N -4.79 3.57 -4.70 1.42 10.43 -1.26 -4.95 116.55 116.27 2vlj n ASP 196 Ca 0.17 -2.48 -0.42 0.00 2.57 0.00 0.00 54.79 54.63 2vlj n ASP 196 Cb 0.40 -0.58 -0.03 0.00 1.84 0.00 0.00 41.12 42.75 2vlj n ASP 196 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 2vlj n THR 197 N 0.38 0.19 -2.72 -3.53 -1.04 -0.76 -4.80 114.28 102.00 2vlj n THR 197 Ca 0.16 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.70 2vlj n THR 197 Cb 0.75 -2.07 -0.03 0.00 -1.82 0.00 0.00 70.33 67.16 2vlj n THR 197 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2vlj s PHE 198 N 2.00 3.23 -0.60 -1.42 5.36 -0.19 -4.91 117.98 121.44 2vlj s PHE 198 Ca 0.79 1.20 -0.02 0.00 -0.96 0.00 0.00 56.93 57.93 2vlj s PHE 198 Cb -0.49 -3.43 0.15 0.00 -0.34 0.00 0.00 43.02 38.92 2vlj s PHE 198 CO 0.35 -0.62 0.40 -0.06 -1.46 0.00 0.00 175.22 173.83 2vlj s PHE 199 N 3.32 3.39 0.05 10.12 0.08 -1.26 -1.20 117.98 132.47 2vlj s PHE 199 Ca 0.42 -2.78 -0.37 0.00 0.12 0.00 0.00 56.93 54.32 2vlj s PHE 199 Cb -0.14 -3.14 -0.16 0.00 -0.57 0.00 0.00 43.02 39.01 2vlj s PHE 199 CO 0.11 -0.83 1.43 -2.30 -0.10 0.00 0.00 175.22 173.53 2vlj n PRO 200 N 3.47 1.29 0.00 0.24 -0.02 -1.26 -5.07 135.00 133.65 2vlj n PRO 200 Ca 0.07 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 2vlj n PRO 200 Cb 0.37 -2.13 0.31 0.00 -0.02 0.00 0.00 33.50 32.03 2vlj n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93