#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jvh n ASP 2 N 0.00 5.19 -4.79 6.12 2.03 -1.26 -4.97 116.55 118.86 3jvh n ASP 2 Ca 0.00 -2.98 -0.35 0.00 0.52 0.00 0.00 54.79 51.98 3jvh n ASP 2 Cb 0.00 -1.54 -0.05 0.00 -0.72 0.00 0.00 41.12 38.82 3jvh n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3jvh s PHE 3 N 1.34 3.22 0.01 -0.67 0.08 -1.26 -0.83 117.98 119.87 3jvh s PHE 3 Ca 0.46 1.63 0.00 0.00 0.12 0.00 0.00 56.93 59.14 3jvh s PHE 3 Cb 0.13 -3.04 -0.01 0.00 -0.57 0.00 0.00 43.02 39.53 3jvh s PHE 3 CO -0.04 -0.52 -0.03 1.03 -0.10 0.00 0.00 175.22 175.56 3jvh s ARG 4 N -2.83 0.25 0.09 0.44 1.81 0.06 -4.95 118.95 113.81 3jvh s ARG 4 Ca 0.61 -0.41 0.07 0.00 -1.72 0.00 0.00 55.73 54.28 3jvh s ARG 4 Cb -0.17 -0.01 -0.04 0.00 -0.45 0.00 0.00 34.95 34.28 3jvh s ARG 4 CO 0.22 -0.01 -0.11 0.96 -0.68 0.00 0.00 175.30 175.68 3jvh s ILE 5 N -0.90 3.33 0.09 1.52 -4.36 -1.26 -1.18 121.20 118.43 3jvh s ILE 5 Ca -0.09 -1.23 0.03 0.00 -0.26 0.00 0.00 60.65 59.10 3jvh s ILE 5 Cb -0.06 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 3jvh s ILE 5 CO -0.00 0.15 -0.08 -0.83 0.24 0.00 0.00 174.94 174.42 3jvh s GLY 6 N -2.08 0.74 0.02 6.27 0.00 0.27 -4.07 107.32 108.48 3jvh s GLY 6 Ca 0.20 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.79 3jvh s GLY 6 CO 0.12 -1.24 -0.06 -0.86 0.00 0.00 0.00 173.10 171.06 3jvh s GLN 7 N -2.93 0.47 0.05 2.90 1.03 -1.26 -1.20 119.66 118.72 3jvh s GLN 7 Ca 0.04 -0.50 0.02 0.00 0.04 0.00 0.00 55.36 54.96 3jvh s GLN 7 Cb -0.01 -0.33 -0.03 0.00 0.03 0.00 0.00 33.01 32.67 3jvh s GLN 7 CO -0.02 0.07 -0.08 0.20 -2.54 0.00 0.00 175.29 172.93 3jvh s GLY 8 N -0.94 0.54 -0.02 2.60 0.00 -0.04 -3.98 107.32 105.49 3jvh s GLY 8 Ca -0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 3jvh s GLY 8 CO 0.00 -0.90 0.04 -0.47 0.00 0.00 0.00 173.10 171.78 3jvh s TYR 9 N -1.66 -0.04 0.04 1.90 6.14 -1.26 -0.74 117.35 121.73 3jvh s TYR 9 Ca -0.07 0.13 -0.14 0.00 0.64 0.00 0.00 57.07 57.64 3jvh s TYR 9 Cb -0.08 -0.04 0.02 0.00 0.42 0.00 0.00 41.96 42.28 3jvh s TYR 9 CO -0.00 -0.04 0.30 0.34 0.64 0.00 0.00 175.55 176.78 3jvh s ASP 10 N 0.29 -0.13 -0.07 4.32 2.15 -0.35 -4.73 116.67 118.16 3jvh s ASP 10 Ca -0.02 -0.17 -0.10 0.00 0.43 0.00 0.00 52.55 52.69 3jvh s ASP 10 Cb -0.03 0.35 0.02 0.00 -0.30 0.00 0.00 42.92 42.96 3jvh s ASP 10 CO -0.01 -0.59 0.26 0.54 -0.17 0.00 0.00 175.17 175.20 3jvh s VAL 11 N -2.41 0.02 0.06 1.11 0.11 -1.26 -0.79 120.40 117.23 3jvh s VAL 11 Ca -0.06 -0.16 0.03 0.00 -2.93 0.00 0.00 61.98 58.86 3jvh s VAL 11 Cb -0.01 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 3jvh s VAL 11 CO -0.02 -0.09 -0.10 -1.00 -3.33 0.00 0.00 175.10 170.56 3jvh s HIS 12 N -0.29 0.86 0.38 1.54 3.76 -0.91 -4.99 115.29 115.64 3jvh s HIS 12 Ca -0.04 -0.51 -0.25 0.00 -0.15 0.00 0.00 55.06 54.11 3jvh s HIS 12 Cb -0.03 -0.50 -0.09 0.00 1.11 0.00 0.00 32.58 33.07 3jvh s HIS 12 CO 0.01 -0.04 1.10 -0.65 -0.85 0.00 0.00 174.74 174.31 3jvh s GLN 13 N -1.75 4.20 -0.18 1.40 -0.21 -1.26 -1.41 119.66 120.44 3jvh s GLN 13 Ca -0.06 1.67 -0.20 0.00 0.02 0.00 0.00 55.36 56.78 3jvh s GLN 13 Cb -0.09 -2.69 -0.03 0.00 1.00 0.00 0.00 33.01 31.20 3jvh s GLN 13 CO 0.01 -0.15 0.58 -0.51 -2.12 0.00 0.00 175.29 173.10 3jvh s LEU 14 N -2.40 4.17 0.06 2.90 1.43 -0.10 -0.67 118.68 124.07 3jvh s LEU 14 Ca 0.55 0.79 0.04 0.00 -1.03 0.00 0.00 54.13 54.48 3jvh s LEU 14 Cb -0.26 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 3jvh s LEU 14 CO 0.33 -0.21 -0.11 0.68 0.23 0.00 0.00 176.35 177.28 3jvh s VAL 15 N 1.64 0.83 0.71 -1.59 -7.23 0.97 -4.85 120.40 110.89 3jvh s VAL 15 Ca 0.27 -1.29 -0.15 0.00 -1.81 0.00 0.00 61.98 59.00 3jvh s VAL 15 Cb -0.16 -0.94 0.03 0.00 0.56 0.00 0.00 36.38 35.87 3jvh s VAL 15 CO 0.10 -0.37 1.18 -2.84 -0.31 0.00 0.00 175.10 172.86 3jvh s PRO 16 N -1.92 2.34 0.00 4.82 0.02 -1.26 -0.69 135.00 138.31 3jvh s PRO 16 Ca -0.04 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.63 3jvh s PRO 16 Cb -0.08 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.57 3jvh s PRO 16 CO 0.01 -1.66 0.00 0.41 -0.33 0.00 0.00 177.00 175.43 3jvh n GLY 17 N 0.11 0.59 3.16 0.52 0.00 -1.26 -4.82 105.19 103.50 3jvh n GLY 17 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3jvh n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jvh s ARG 18 N -0.15 0.98 0.44 1.61 0.52 -1.26 -5.02 118.95 116.08 3jvh s ARG 18 Ca 0.00 -0.81 -0.24 0.00 -0.52 0.00 0.00 55.73 54.16 3jvh s ARG 18 Cb 0.00 -1.01 -0.08 0.00 0.52 0.00 0.00 34.95 34.38 3jvh s ARG 18 CO 0.00 0.25 1.20 -1.25 0.02 0.00 0.00 175.30 175.52 3jvh s PRO 19 N -1.23 3.85 -0.39 3.54 0.04 -1.26 -1.96 135.00 137.59 3jvh s PRO 19 Ca 0.02 1.88 -0.22 0.00 0.04 0.00 0.00 61.00 62.72 3jvh s PRO 19 Cb -0.08 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.93 3jvh s PRO 19 CO 0.01 -0.51 0.71 -1.17 0.04 0.00 0.00 177.00 176.09 3jvh s LEU 20 N -2.80 4.26 -0.18 -3.56 2.96 -1.25 -3.73 118.68 114.38 3jvh s LEU 20 Ca 0.61 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 3jvh s LEU 20 Cb -0.31 -2.88 0.03 0.00 0.50 0.00 0.00 46.19 43.53 3jvh s LEU 20 CO 0.39 -0.74 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.91 3jvh s ILE 21 N 2.97 1.75 -0.05 6.68 1.01 -1.26 -0.29 121.20 132.01 3jvh s ILE 21 Ca 0.27 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 60.02 3jvh s ILE 21 Cb -0.13 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.66 3jvh s ILE 21 CO 0.18 0.34 -0.03 -0.63 0.00 0.00 0.00 174.94 174.80 3jvh s ILE 22 N 1.38 0.45 -1.60 2.92 1.01 -0.55 -4.31 121.20 120.50 3jvh s ILE 22 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 3jvh s ILE 22 Cb -0.15 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.82 3jvh s ILE 22 CO -0.10 0.22 0.28 0.61 0.00 0.00 0.00 174.94 175.95 3jvh n GLY 23 N 4.24 -0.51 3.09 6.18 0.00 -1.26 -1.38 105.19 115.54 3jvh n GLY 23 Ca -0.22 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3jvh n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jvh n GLY 24 N -1.22 1.14 3.65 -0.02 0.00 -1.26 -4.38 105.19 103.10 3jvh n GLY 24 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 3jvh n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jvh s VAL 25 N -3.66 5.30 -0.22 1.61 1.01 -0.48 -5.06 120.40 118.91 3jvh s VAL 25 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 3jvh s VAL 25 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3jvh s VAL 25 CO 0.00 0.30 1.13 -0.89 0.00 0.00 0.00 175.10 175.64 3jvh s THR 26 N 1.24 4.51 -0.19 3.92 2.01 -1.26 -1.48 115.64 124.40 3jvh s THR 26 Ca 0.11 1.82 -0.03 0.00 0.31 0.00 0.00 61.69 63.89 3jvh s THR 26 Cb -0.14 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.15 3jvh s THR 26 CO 0.06 -0.20 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.12 3jvh s ILE 27 N 3.38 3.57 0.03 1.82 1.01 0.61 -5.01 121.20 126.61 3jvh s ILE 27 Ca 0.48 -0.45 -0.34 0.00 0.00 0.00 0.00 60.65 60.34 3jvh s ILE 27 Cb -0.17 -2.59 -0.13 0.00 0.01 0.00 0.00 42.46 39.58 3jvh s ILE 27 CO 0.10 0.46 1.71 -2.65 0.00 0.00 0.00 174.94 174.56 3jvh n PRO 28 N 4.16 2.09 -3.63 2.79 -0.02 -1.26 -4.15 135.00 134.98 3jvh n PRO 28 Ca -0.18 0.76 -0.05 0.00 -2.02 0.00 0.00 63.50 62.02 3jvh n PRO 28 Cb 0.52 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 3jvh n PRO 28 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3jvh s TYR 29 N 2.43 -0.16 -0.30 6.00 5.04 -1.26 -4.94 117.35 124.17 3jvh s TYR 29 Ca 0.86 0.32 0.27 0.00 -2.44 0.00 0.00 57.07 56.09 3jvh s TYR 29 Cb -0.71 0.47 1.07 0.00 0.35 0.00 0.00 41.96 43.14 3jvh s TYR 29 CO 0.45 -0.11 1.81 1.05 -1.34 0.00 0.00 175.55 177.41 3jvh h GLU 30 N 2.75 0.00 -5.38 4.97 9.09 -1.93 -3.44 114.58 120.64 3jvh h GLU 30 Ca -0.18 0.00 -0.47 0.00 0.05 0.00 0.00 59.36 58.75 3jvh h GLU 30 Cb 1.18 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 28.14 3jvh h GLU 30 CO 0.21 0.00 -0.66 1.03 0.05 0.00 0.00 179.01 179.64 3jvh s ARG 31 N -3.41 1.54 0.28 1.06 0.52 -1.26 -4.11 118.95 113.57 3jvh s ARG 31 Ca 0.04 -1.80 0.01 0.00 -0.52 0.00 0.00 55.73 53.46 3jvh s ARG 31 Cb 0.09 -1.02 -0.03 0.00 0.52 0.00 0.00 34.95 34.52 3jvh s ARG 31 CO 0.48 -0.03 0.27 0.20 0.02 0.00 0.00 175.30 176.24 3jvh s GLY 32 N -3.43 1.70 0.14 -3.53 0.00 0.14 -3.91 107.32 98.42 3jvh s GLY 32 Ca 0.31 -1.74 -0.23 0.00 0.00 0.00 0.00 44.72 43.06 3jvh s GLY 32 CO 0.12 -1.29 0.70 1.08 0.00 0.00 0.00 173.10 173.70 3jvh s LEU 33 N -3.24 4.55 -0.13 0.66 1.43 -1.24 -0.02 118.68 120.69 3jvh s LEU 33 Ca 0.37 1.49 -0.17 0.00 -1.03 0.00 0.00 54.13 54.78 3jvh s LEU 33 Cb 0.03 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 3jvh s LEU 33 CO 0.19 0.22 0.45 -0.22 0.23 0.00 0.00 176.35 177.22 3jvh s LEU 34 N -1.21 4.26 -0.00 1.79 2.96 0.16 -4.68 118.68 121.96 3jvh s LEU 34 Ca 0.34 0.75 -0.30 0.00 -0.22 0.00 0.00 54.13 54.70 3jvh s LEU 34 Cb -0.21 -2.64 0.11 0.00 0.50 0.00 0.00 46.19 43.95 3jvh s LEU 34 CO 0.23 0.00 1.26 -0.83 -1.32 0.00 0.00 176.35 175.70 3jvh s GLY 35 N 0.65 -0.37 0.20 7.98 0.00 -1.26 -4.41 107.32 110.10 3jvh s GLY 35 Ca 0.24 0.58 -0.09 0.00 0.00 0.00 0.00 44.72 45.46 3jvh s GLY 35 CO 0.09 0.65 1.76 0.45 0.00 0.00 0.00 173.10 176.05 3jvh h HIS 36 N 2.00 1.15 -1.24 1.90 -0.00 -2.00 -3.44 115.15 113.51 3jvh h HIS 36 Ca -0.29 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3jvh h HIS 36 Cb 1.20 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 3jvh h HIS 36 CO 0.44 0.89 0.00 -1.13 -0.00 0.00 0.00 177.93 178.13 3jvh n SER 37 N -4.31 0.00 0.00 2.45 3.41 -1.26 -4.92 113.62 108.99 3jvh n SER 37 Ca 0.06 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.78 3jvh n SER 37 Cb 0.20 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 64.81 3jvh n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3jvh n ASP 38 N 0.00 0.00 -3.55 4.04 5.68 -1.26 -4.91 116.55 116.55 3jvh n ASP 38 Ca 0.00 -0.73 -0.25 0.00 -0.50 0.00 0.00 54.79 53.30 3jvh n ASP 38 Cb 0.00 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.03 3jvh n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jvh n ALA 39 N -0.99 -1.22 -2.29 2.12 0.00 -1.26 -4.70 120.51 112.17 3jvh n ALA 39 Ca 0.17 0.31 -0.36 0.00 0.00 0.00 0.00 53.44 53.56 3jvh n ALA 39 Cb 0.08 -4.80 -0.04 0.00 0.00 0.00 0.00 19.45 14.69 3jvh n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3jvh s ASP 40 N -3.15 5.75 0.31 0.00 -1.08 -1.26 -4.80 116.67 112.44 3jvh s ASP 40 Ca 0.54 -0.68 -0.01 0.00 -0.52 0.00 0.00 52.55 51.88 3jvh s ASP 40 Cb -0.25 -2.56 0.48 0.00 -1.46 0.00 0.00 42.92 39.13 3jvh s ASP 40 CO 0.67 -2.15 1.96 1.62 0.52 0.00 0.00 175.17 177.80 3jvh h VAL 41 N 6.84 1.18 -0.15 1.11 3.04 -1.90 -0.76 116.25 125.62 3jvh h VAL 41 Ca -0.00 -0.37 -0.03 0.00 -1.01 0.00 0.00 66.70 65.28 3jvh h VAL 41 Cb 1.04 0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.33 3jvh h VAL 41 CO 1.29 0.20 -0.03 0.25 -1.01 0.00 0.00 177.57 178.26 3jvh h LEU 42 N 1.08 0.28 -0.85 3.16 5.85 -1.90 -2.04 115.31 120.89 3jvh h LEU 42 Ca 0.31 -0.37 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 3jvh h LEU 42 Cb -0.07 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3jvh h LEU 42 CO -0.08 0.58 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.40 3jvh h LEU 43 N -0.02 0.70 -0.47 2.25 3.38 -1.84 -1.82 115.31 117.48 3jvh h LEU 43 Ca 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3jvh h LEU 43 Cb 0.46 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3jvh h LEU 43 CO 0.01 0.85 0.28 0.45 0.09 0.00 0.00 178.44 180.13 3jvh h HIS 44 N 0.64 0.63 -0.60 1.13 3.86 -1.13 0.42 115.15 120.09 3jvh h HIS 44 Ca 0.11 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3jvh h HIS 44 Cb 0.60 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 3jvh h HIS 44 CO 0.03 0.45 0.33 0.00 0.86 0.00 0.00 177.93 179.59 3jvh h ALA 45 N 1.13 0.77 -0.51 2.45 0.00 -0.99 -0.32 119.26 121.79 3jvh h ALA 45 Ca 0.17 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3jvh h ALA 45 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3jvh h ALA 45 CO -0.03 0.29 0.11 0.82 0.00 0.00 0.00 179.25 180.44 3jvh h ILE 46 N 0.82 1.24 -0.19 0.00 2.04 -1.15 -0.80 117.51 119.47 3jvh h ILE 46 Ca 0.21 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.23 3jvh h ILE 46 Cb 0.05 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3jvh h ILE 46 CO -0.03 0.32 -0.06 0.74 0.00 0.00 0.00 178.15 179.11 3jvh h THR 47 N 0.71 0.77 -0.88 -0.27 2.02 -0.51 -0.33 112.91 114.42 3jvh h THR 47 Ca 0.16 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 3jvh h THR 47 Cb 0.36 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3jvh h THR 47 CO 0.00 0.00 0.47 0.44 0.37 0.00 0.00 175.52 176.81 3jvh h ASP 48 N -0.02 1.10 -0.84 4.18 5.19 -0.87 -0.29 116.42 124.86 3jvh h ASP 48 Ca 0.10 -0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3jvh h ASP 48 Cb 0.17 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.36 3jvh h ASP 48 CO -0.21 0.89 0.52 0.00 -3.12 0.00 0.00 179.24 177.32 3jvh h ALA 49 N 1.26 1.07 -0.10 3.45 0.00 -0.57 0.18 119.26 124.54 3jvh h ALA 49 Ca 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3jvh h ALA 49 Cb 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3jvh h ALA 49 CO -0.05 0.53 -0.02 -0.07 0.00 0.00 0.00 179.25 179.63 3jvh h LEU 50 N 1.15 0.20 -0.88 0.00 3.38 -0.67 0.06 115.31 118.55 3jvh h LEU 50 Ca 0.30 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3jvh h LEU 50 Cb -0.06 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 3jvh h LEU 50 CO -0.06 0.52 0.54 -0.26 0.09 0.00 0.00 178.44 179.27 3jvh h PHE 51 N -0.12 0.99 -0.43 1.13 0.04 -0.92 -2.21 116.94 115.42 3jvh h PHE 51 Ca 0.03 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 3jvh h PHE 51 Cb 0.43 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 3jvh h PHE 51 CO 0.05 0.46 0.22 0.78 -0.60 0.00 0.00 178.31 179.22 3jvh h GLY 52 N 0.94 0.64 1.43 -1.45 0.00 -0.41 0.15 103.07 104.37 3jvh h GLY 52 Ca 0.41 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 3jvh h GLY 52 CO -0.21 0.29 -0.00 0.00 0.00 0.00 0.00 176.54 176.61 3jvh h ALA 53 N 1.07 1.19 -0.04 3.60 0.00 -0.71 -1.82 119.26 122.55 3jvh h ALA 53 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3jvh h ALA 53 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3jvh h ALA 53 CO -0.02 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3jvh n ALA 54 N -2.47 2.60 -3.87 0.00 0.00 -0.86 -4.60 120.51 111.32 3jvh n ALA 54 Ca 0.02 -0.31 -0.27 0.00 0.00 0.00 0.00 53.44 52.88 3jvh n ALA 54 Cb 0.28 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.47 3jvh n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jvh n ALA 55 N -0.36 -1.66 -0.55 0.00 0.00 -0.69 -4.90 120.51 112.35 3jvh n ALA 55 Ca 0.19 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.69 3jvh n ALA 55 Cb 0.21 -3.00 0.30 0.00 0.00 0.00 0.00 19.45 16.95 3jvh n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3jvh n LEU 56 N -4.47 4.16 0.00 0.00 4.77 0.45 -5.03 117.00 116.89 3jvh n LEU 56 Ca -0.14 -2.37 0.00 0.00 -0.03 0.00 0.00 56.01 53.47 3jvh n LEU 56 Cb 0.60 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3jvh n LEU 56 CO 0.74 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 178.21 3jvh n GLY 57 N 0.84 0.92 3.61 -0.72 0.00 -1.25 -4.92 105.19 103.67 3jvh n GLY 57 Ca 0.22 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3jvh n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3jvh s ASP 58 N -4.00 0.54 0.30 1.61 1.47 -1.26 -3.97 116.67 111.37 3jvh s ASP 58 Ca 0.00 -1.33 0.06 0.00 1.18 0.00 0.00 52.55 52.46 3jvh s ASP 58 Cb 0.00 0.73 0.73 0.00 -0.34 0.00 0.00 42.92 44.04 3jvh s ASP 58 CO 0.00 -1.43 1.78 0.40 0.68 0.00 0.00 175.17 176.59 3jvh h ILE 59 N 2.07 0.71 -0.23 2.11 2.04 -1.93 -1.40 117.51 120.89 3jvh h ILE 59 Ca -0.29 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 3jvh h ILE 59 Cb 1.24 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3jvh h ILE 59 CO 0.39 0.14 0.08 1.23 0.00 0.00 0.00 178.15 179.99 3jvh h GLY 60 N 0.77 0.33 2.00 5.37 0.00 -1.97 0.22 103.07 109.79 3jvh h GLY 60 Ca 0.58 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 3jvh h GLY 60 CO -0.38 0.14 -0.21 0.07 0.00 0.00 0.00 176.54 176.16 3jvh h ARG 61 N 0.32 0.00 0.00 4.80 -0.00 -1.63 -3.37 114.38 114.50 3jvh h ARG 61 Ca 0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 59.98 59.80 3jvh h ARG 61 Cb 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.00 3jvh h ARG 61 CO -0.01 0.21 -1.98 0.72 -0.00 0.00 0.00 179.97 178.90 3jvh n HIS 62 N -3.34 0.00 -4.50 4.08 -0.00 -0.32 -5.01 115.22 106.13 3jvh n HIS 62 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.49 3jvh n HIS 62 Cb 0.44 -0.67 -0.11 0.00 -0.00 0.00 0.00 29.99 29.65 3jvh n HIS 62 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3jvh s PHE 63 N -2.35 2.14 -0.28 4.41 0.08 0.62 -5.12 117.98 117.48 3jvh s PHE 63 Ca -0.22 -0.80 -0.11 0.00 0.12 0.00 0.00 56.93 55.91 3jvh s PHE 63 Cb 0.06 -1.39 0.11 0.00 -0.57 0.00 0.00 43.02 41.23 3jvh s PHE 63 CO 0.41 0.21 0.63 -0.06 -0.10 0.00 0.00 175.22 176.31 3jvh s PHE 70 N -3.05 -1.23 -0.94 0.36 2.99 -1.26 -4.61 117.98 110.25 3jvh s PHE 70 Ca 0.34 2.20 -0.19 0.00 0.00 0.00 0.00 56.93 59.29 3jvh s PHE 70 Cb 0.08 0.72 -0.26 0.00 0.00 0.00 0.00 43.02 43.56 3jvh s PHE 70 CO 0.15 -0.62 2.37 0.36 -0.00 0.00 0.00 175.22 177.48 3jvh n LYS 71 N 5.18 0.15 -1.21 0.44 2.85 -1.26 -0.72 118.16 123.59 3jvh n LYS 71 Ca -0.14 -0.11 -0.07 0.00 -1.05 0.00 0.00 58.31 56.94 3jvh n LYS 71 Cb 0.51 -1.67 -0.03 0.00 -0.65 0.00 0.00 35.03 33.19 3jvh n LYS 71 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3jvh n GLY 72 N 6.00 0.86 3.77 2.58 0.00 -1.26 -4.99 105.19 112.15 3jvh n GLY 72 Ca 0.62 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.98 3jvh n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jvh s ALA 73 N -2.03 3.17 0.82 4.61 0.00 0.10 -5.03 121.76 123.40 3jvh s ALA 73 Ca 0.00 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 3jvh s ALA 73 Cb 0.00 -3.42 0.09 0.00 0.00 0.00 0.00 23.12 19.79 3jvh s ALA 73 CO 0.00 -0.65 1.19 0.16 0.00 0.00 0.00 175.76 176.46 3jvh s ASP 74 N -1.01 4.38 0.51 0.00 1.47 -1.26 -4.67 116.67 116.09 3jvh s ASP 74 Ca 0.58 0.75 0.33 0.00 1.18 0.00 0.00 52.55 55.38 3jvh s ASP 74 Cb -0.33 -1.21 1.34 0.00 -0.34 0.00 0.00 42.92 42.37 3jvh s ASP 74 CO 0.42 -1.99 1.96 0.28 0.68 0.00 0.00 175.17 176.52 3jvh h SER 75 N -1.11 0.00 0.09 2.11 0.02 -1.95 -2.57 113.55 110.13 3jvh h SER 75 Ca -0.46 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.26 3jvh h SER 75 Cb 1.32 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.87 3jvh h SER 75 CO 0.64 0.00 -0.89 0.03 -1.14 0.00 0.00 176.83 175.47 3jvh h ARG 76 N 0.00 0.61 -0.62 3.45 3.08 -1.98 -0.05 114.38 118.86 3jvh h ARG 76 Ca 0.00 -0.58 -0.05 0.00 0.07 0.00 0.00 59.98 59.43 3jvh h ARG 76 Cb 0.48 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 3jvh h ARG 76 CO 0.00 1.19 0.19 0.00 -1.07 0.00 0.00 179.97 180.28 3jvh h ALA 77 N 0.62 1.17 -0.24 0.04 0.00 -1.85 -0.10 119.26 118.91 3jvh h ALA 77 Ca -0.08 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 3jvh h ALA 77 Cb 1.52 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3jvh h ALA 77 CO 0.17 0.58 -0.44 -0.07 0.00 0.00 0.00 179.25 179.48 3jvh h LEU 78 N 0.92 0.63 -0.54 0.00 3.38 -1.33 -0.83 115.31 117.54 3jvh h LEU 78 Ca 0.20 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3jvh h LEU 78 Cb 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3jvh h LEU 78 CO -0.01 0.99 0.05 0.25 0.09 0.00 0.00 178.44 179.81 3jvh h LEU 79 N 0.48 0.89 -0.88 1.67 5.85 -0.63 0.11 115.31 122.79 3jvh h LEU 79 Ca 0.03 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3jvh h LEU 79 Cb 0.96 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3jvh h LEU 79 CO 0.09 0.95 0.52 0.03 -0.34 0.00 0.00 178.44 179.68 3jvh h ARG 80 N 0.79 1.20 -0.41 1.25 3.08 -0.82 -0.28 114.38 119.21 3jvh h ARG 80 Ca 0.16 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 3jvh h ARG 80 Cb 0.47 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3jvh h ARG 80 CO 0.02 0.86 -0.33 1.49 -1.07 0.00 0.00 179.97 180.93 3jvh h GLU 81 N 1.22 0.93 -0.18 0.04 4.57 -0.82 -1.27 114.58 119.06 3jvh h GLU 81 Ca 0.31 -0.46 0.04 0.00 -1.18 0.00 0.00 59.36 58.07 3jvh h GLU 81 Cb -0.03 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 3jvh h GLU 81 CO -0.06 1.11 -0.04 0.00 -1.18 0.00 0.00 179.01 178.85 3jvh h ALA 83 N 1.18 1.23 -0.20 0.00 0.00 -0.81 -0.21 119.26 120.45 3jvh h ALA 83 Ca 0.09 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3jvh h ALA 83 Cb 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3jvh h ALA 83 CO -0.18 0.12 0.03 1.03 0.00 0.00 0.00 179.25 180.25 3jvh h SER 84 N 0.83 -0.02 -0.03 0.00 0.87 -0.58 -1.27 113.55 113.35 3jvh h SER 84 Ca 0.41 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.89 3jvh h SER 84 Cb 0.38 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3jvh h SER 84 CO -0.25 0.02 -0.32 0.03 -0.53 0.00 0.00 176.83 175.78 3jvh h ARG 85 N 0.10 0.50 -0.40 2.24 3.08 -0.07 -0.10 114.38 119.73 3jvh h ARG 85 Ca 0.09 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3jvh h ARG 85 Cb 0.09 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3jvh h ARG 85 CO -0.13 0.77 0.26 0.28 -1.07 0.00 0.00 179.97 180.07 3jvh h VAL 86 N 0.43 1.11 -0.50 2.04 2.07 -0.94 -1.76 116.25 118.72 3jvh h VAL 86 Ca 0.05 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 3jvh h VAL 86 Cb 0.78 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3jvh h VAL 86 CO 0.06 0.11 -0.02 0.00 0.02 0.00 0.00 177.57 177.74 3jvh h ALA 87 N 1.13 1.03 -0.22 1.67 0.00 -0.83 -2.16 119.26 119.88 3jvh h ALA 87 Ca 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3jvh h ALA 87 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3jvh h ALA 87 CO -0.03 0.60 0.01 1.96 0.00 0.00 0.00 179.25 181.79 3jvh h GLN 88 N 0.78 0.32 -0.00 0.00 1.08 -0.70 -0.96 115.11 115.62 3jvh h GLN 88 Ca 0.15 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3jvh h GLN 88 Cb 0.50 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3jvh h GLN 88 CO 0.03 0.34 -0.03 0.00 -0.95 0.00 0.00 178.83 178.21 3jvh n ALA 89 N -2.49 2.65 -0.27 3.87 0.00 -0.69 -4.90 120.51 118.68 3jvh n ALA 89 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3jvh n ALA 89 Cb 0.18 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3jvh n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jvh n GLY 90 N 1.16 0.94 3.66 0.00 0.00 -0.37 -5.03 105.19 105.57 3jvh n GLY 90 Ca 0.19 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3jvh n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jvh s PHE 91 N -2.00 3.00 -0.04 1.61 0.08 -0.84 -1.44 117.98 118.36 3jvh s PHE 91 Ca 0.00 0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.09 3jvh s PHE 91 Cb 0.00 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.80 3jvh s PHE 91 CO 0.00 0.44 -0.08 0.00 -0.10 0.00 0.00 175.22 175.49 3jvh s ALA 92 N -1.12 2.96 -0.07 5.36 0.00 0.56 -3.78 121.76 125.67 3jvh s ALA 92 Ca 0.20 -0.95 -0.26 0.00 0.00 0.00 0.00 51.96 50.95 3jvh s ALA 92 Cb -0.11 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 3jvh s ALA 92 CO 0.12 0.59 0.82 0.42 0.00 0.00 0.00 175.76 177.70 3jvh s ILE 93 N -0.88 4.95 -0.23 0.00 1.01 -1.26 -0.42 121.20 124.38 3jvh s ILE 93 Ca 0.14 1.67 -0.06 0.00 0.00 0.00 0.00 60.65 62.41 3jvh s ILE 93 Cb -0.11 -4.15 -0.18 0.00 0.01 0.00 0.00 42.46 38.03 3jvh s ILE 93 CO 0.04 0.17 -0.08 0.54 0.00 0.00 0.00 174.94 175.61 3jvh n ARG 94 N 4.17 0.65 -3.48 2.79 5.12 0.79 -4.95 116.66 121.76 3jvh n ARG 94 Ca 0.02 0.24 -0.10 0.00 -1.93 0.00 0.00 57.85 56.09 3jvh n ARG 94 Cb 0.51 -1.58 -0.02 0.00 -1.16 0.00 0.00 32.46 30.20 3jvh n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3jvh s ASN 95 N -6.89 -0.44 -0.00 0.55 4.22 -1.11 -4.84 114.94 106.43 3jvh s ASN 95 Ca -0.32 0.04 0.03 0.00 -2.14 0.00 0.00 52.86 50.47 3jvh s ASN 95 Cb 0.09 0.45 -0.01 0.00 1.28 0.00 0.00 41.25 43.07 3jvh s ASN 95 CO 0.61 -0.71 -0.10 0.68 -2.04 0.00 0.00 177.10 175.55 3jvh s VAL 96 N -3.16 0.76 0.11 3.54 -7.23 -0.28 -1.54 120.40 112.60 3jvh s VAL 96 Ca 0.03 -0.45 0.05 0.00 -1.81 0.00 0.00 61.98 59.80 3jvh s VAL 96 Cb -0.01 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 3jvh s VAL 96 CO -0.09 0.19 -0.13 -0.62 -0.31 0.00 0.00 175.10 174.14 3jvh s ASP 97 N -0.30 1.79 0.18 4.85 2.15 -0.36 -0.75 116.67 124.22 3jvh s ASP 97 Ca 0.03 -0.79 -0.23 0.00 0.43 0.00 0.00 52.55 52.00 3jvh s ASP 97 Cb -0.04 -0.04 0.06 0.00 -0.30 0.00 0.00 42.92 42.60 3jvh s ASP 97 CO -0.00 -0.17 0.67 -0.94 -0.17 0.00 0.00 175.17 174.56 3jvh s SER 98 N -2.36 -0.45 -0.02 -0.34 1.04 -0.90 -0.37 113.70 110.30 3jvh s SER 98 Ca 0.06 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.32 3jvh s SER 98 Cb -0.05 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.70 3jvh s SER 98 CO 0.02 -1.04 -0.03 -0.89 0.98 0.00 0.00 173.24 172.28 3jvh s THR 99 N -3.73 0.33 -0.15 2.02 2.01 -0.16 -0.95 115.64 115.01 3jvh s THR 99 Ca 0.05 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.91 3jvh s THR 99 Cb -0.02 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 3jvh s THR 99 CO -0.07 0.14 0.03 -0.63 -0.69 0.00 0.00 174.62 173.41 3jvh s ILE 100 N 0.50 4.56 -0.29 1.82 1.01 0.70 -0.97 121.20 128.53 3jvh s ILE 100 Ca -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 3jvh s ILE 100 Cb -0.09 -3.01 0.04 0.00 0.01 0.00 0.00 42.46 39.41 3jvh s ILE 100 CO -0.01 0.51 0.01 -0.63 0.00 0.00 0.00 174.94 174.82 3jvh s ILE 101 N -0.01 3.18 -0.08 2.92 1.09 0.45 -0.24 121.20 128.52 3jvh s ILE 101 Ca 0.05 -1.19 -0.04 0.00 -1.10 0.00 0.00 60.65 58.36 3jvh s ILE 101 Cb -0.12 -2.76 0.04 0.00 -1.06 0.00 0.00 42.46 38.56 3jvh s ILE 101 CO 0.01 -0.03 0.18 0.00 -0.10 0.00 0.00 174.94 175.01 3jvh s ALA 102 N 1.32 -0.39 0.22 9.38 0.00 -0.24 -1.74 121.76 130.30 3jvh s ALA 102 Ca -0.03 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.68 3jvh s ALA 102 Cb -0.19 -0.47 0.19 0.00 0.00 0.00 0.00 23.12 22.65 3jvh s ALA 102 CO -0.01 -0.15 1.53 0.37 0.00 0.00 0.00 175.76 177.50 3jvh h GLN 103 N 6.91 0.34 -2.78 0.00 5.75 -1.82 -3.35 115.11 120.15 3jvh h GLN 103 Ca -0.38 -0.23 -0.05 0.00 -0.15 0.00 0.00 58.65 57.83 3jvh h GLN 103 Cb 1.16 0.04 -0.15 0.00 1.07 0.00 0.00 27.48 29.59 3jvh h GLN 103 CO 0.40 0.85 0.07 0.00 -2.65 0.00 0.00 178.83 177.50 3jvh s ALA 104 N -3.79 -1.39 1.02 3.38 0.00 -1.26 -4.84 121.76 114.88 3jvh s ALA 104 Ca -0.05 0.60 -0.14 0.00 0.00 0.00 0.00 51.96 52.37 3jvh s ALA 104 Cb 0.12 0.46 0.20 0.00 0.00 0.00 0.00 23.12 23.89 3jvh s ALA 104 CO 0.81 -0.55 1.12 -0.35 0.00 0.00 0.00 175.76 176.80 3jvh n PRO 105 N 0.27 -1.24 -2.18 0.00 -0.04 -1.26 -5.06 135.00 125.49 3jvh n PRO 105 Ca -0.18 -1.73 -0.42 0.00 -0.04 0.00 0.00 63.50 61.13 3jvh n PRO 105 Cb 0.61 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.85 3jvh n PRO 105 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3jvh s LYS 106 N -5.45 4.32 -0.02 0.54 1.02 -1.26 -4.92 119.74 113.97 3jvh s LYS 106 Ca 0.64 2.06 0.19 0.00 0.02 0.00 0.00 55.97 58.89 3jvh s LYS 106 Cb -0.02 -3.25 -0.28 0.00 -0.52 0.00 0.00 37.83 33.76 3jvh s LYS 106 CO 0.45 -0.43 0.49 1.28 -0.92 0.00 0.00 175.35 176.22 3jvh n LEU 107 N 3.95 0.16 -0.28 3.17 4.77 -1.26 -4.60 117.00 122.90 3jvh n LEU 107 Ca 0.11 -0.09 0.07 0.00 -0.03 0.00 0.00 56.01 56.08 3jvh n LEU 107 Cb 0.42 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.70 3jvh n LEU 107 CO 0.58 0.04 0.81 0.00 -1.33 0.00 0.00 177.39 177.50 3jvh h ALA 108 N 1.93 0.88 0.00 -1.18 0.00 -1.97 -0.12 119.26 118.79 3jvh h ALA 108 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3jvh h ALA 108 Cb 0.81 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3jvh h ALA 108 CO 0.00 -0.45 0.00 -2.30 0.00 0.00 0.00 179.25 176.50 3jvh n PRO 109 N -5.39 0.05 -0.00 0.00 -0.02 -1.26 -2.82 135.00 125.56 3jvh n PRO 109 Ca 0.16 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 62.09 3jvh n PRO 109 Cb 0.54 -1.62 -0.06 0.00 -0.02 0.00 0.00 33.50 32.34 3jvh n PRO 109 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3jvh n HIS 110 N -1.72 0.00 -0.10 6.00 8.25 -0.08 -4.71 115.22 122.86 3jvh n HIS 110 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 3jvh n HIS 110 Cb 0.11 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 3jvh n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3jvh h ILE 111 N 0.00 1.08 -0.45 1.59 1.08 -1.35 -2.20 117.51 117.26 3jvh h ILE 111 Ca 0.00 -0.16 -0.04 0.00 -0.39 0.00 0.00 64.86 64.28 3jvh h ILE 111 Cb 0.27 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 3jvh h ILE 111 CO 0.00 0.08 0.13 0.44 -0.69 0.00 0.00 178.15 178.11 3jvh h ASP 112 N 0.45 0.61 -0.59 1.72 3.32 -1.84 -0.87 116.42 119.21 3jvh h ASP 112 Ca 0.13 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 3jvh h ASP 112 Cb -0.04 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3jvh h ASP 112 CO -0.04 0.59 0.15 0.00 -1.72 0.00 0.00 179.24 178.23 3jvh h ALA 113 N 1.49 0.78 -0.34 3.45 0.00 -1.78 -1.01 119.26 121.86 3jvh h ALA 113 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3jvh h ALA 113 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3jvh h ALA 113 CO -0.01 0.48 0.21 0.52 0.00 0.00 0.00 179.25 180.46 3jvh h MET 114 N 0.86 0.45 -0.65 0.00 2.86 -0.79 -0.70 114.93 116.96 3jvh h MET 114 Ca 0.19 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 3jvh h MET 114 Cb 0.34 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 3jvh h MET 114 CO 0.00 0.33 0.39 0.00 1.06 0.00 0.00 176.91 178.69 3jvh h ARG 115 N 0.45 0.75 -0.61 1.72 3.08 -1.00 -0.66 114.38 118.11 3jvh h ARG 115 Ca 0.12 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3jvh h ARG 115 Cb -0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 3jvh h ARG 115 CO -0.02 0.49 0.29 0.00 -1.07 0.00 0.00 179.97 179.66 3jvh h ALA 116 N 1.29 0.78 -0.14 0.04 0.00 -0.91 0.08 119.26 120.41 3jvh h ALA 116 Ca 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3jvh h ALA 116 Cb 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3jvh h ALA 116 CO -0.11 0.35 0.08 -0.91 0.00 0.00 0.00 179.25 178.65 3jvh h ASN 117 N 0.83 0.17 -0.34 0.00 2.35 -0.68 -0.91 115.58 117.01 3jvh h ASN 117 Ca 0.21 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3jvh h ASN 117 Cb 0.11 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3jvh h ASN 117 CO -0.03 0.18 0.15 0.40 -1.65 0.00 0.00 177.43 176.48 3jvh h ILE 118 N 0.15 1.18 -0.74 2.81 2.04 -1.01 -0.73 117.51 121.22 3jvh h ILE 118 Ca 0.05 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.41 3jvh h ILE 118 Cb 0.04 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3jvh h ILE 118 CO -0.01 0.19 0.46 0.00 0.00 0.00 0.00 178.15 178.79 3jvh h ALA 119 N 1.00 0.97 -0.48 1.87 0.00 -0.88 -0.31 119.26 121.42 3jvh h ALA 119 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3jvh h ALA 119 Cb 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3jvh h ALA 119 CO -0.01 0.25 0.13 0.00 0.00 0.00 0.00 179.25 179.62 3jvh h ALA 120 N 1.31 0.64 -0.34 0.00 0.00 -0.86 -0.22 119.26 119.80 3jvh h ALA 120 Ca 0.30 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3jvh h ALA 120 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3jvh h ALA 120 CO -0.11 0.32 -0.14 -0.44 0.00 0.00 0.00 179.25 178.88 3jvh h ASP 121 N 0.66 0.58 -0.03 0.00 3.32 -0.62 -2.82 116.42 117.51 3jvh h ASP 121 Ca 0.15 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3jvh h ASP 121 Cb 0.31 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3jvh h ASP 121 CO -0.00 0.74 0.00 0.18 -1.72 0.00 0.00 179.24 178.44 3jvh n LEU 122 N -4.18 2.01 -3.80 1.55 4.77 -0.17 -4.51 117.00 112.67 3jvh n LEU 122 Ca 0.01 -0.68 -0.24 0.00 -0.03 0.00 0.00 56.01 55.07 3jvh n LEU 122 Cb 0.35 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 3jvh n LEU 122 CO 0.41 0.34 -0.14 -0.67 -1.33 0.00 0.00 177.39 176.00 3jvh n ASP 123 N 0.57 -1.35 -4.41 -1.43 2.03 -0.54 -5.00 116.55 106.43 3jvh n ASP 123 Ca 0.17 -0.92 -0.28 0.00 0.52 0.00 0.00 54.79 54.28 3jvh n ASP 123 Cb 0.44 -3.56 -0.12 0.00 -0.72 0.00 0.00 41.12 37.15 3jvh n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jvh s LEU 124 N -6.76 2.38 0.69 -2.67 1.43 -0.20 -5.05 118.68 108.51 3jvh s LEU 124 Ca 0.06 -0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 52.23 3jvh s LEU 124 Cb -0.02 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 45.01 3jvh s LEU 124 CO 0.85 0.15 1.10 -2.16 0.23 0.00 0.00 176.35 176.52 3jvh s PRO 125 N -2.35 2.69 0.50 1.29 0.04 -1.26 -4.48 135.00 131.44 3jvh s PRO 125 Ca 0.17 1.28 0.15 0.00 0.04 0.00 0.00 61.00 62.65 3jvh s PRO 125 Cb -0.09 -1.94 1.21 0.00 0.04 0.00 0.00 34.50 33.71 3jvh s PRO 125 CO 0.08 -1.32 2.12 -0.07 0.04 0.00 0.00 177.00 177.85 3jvh h LEU 126 N -0.32 0.03 0.00 -3.56 3.38 -1.93 -2.06 115.31 110.85 3jvh h LEU 126 Ca -0.46 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3jvh h LEU 126 Cb 1.24 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3jvh h LEU 126 CO 0.54 0.05 0.00 -0.90 0.09 0.00 0.00 178.44 178.21 3jvh n ASP 127 N -4.51 0.00 -0.30 -0.43 5.75 -1.26 -2.12 116.55 113.69 3jvh n ASP 127 Ca -0.03 -1.43 0.03 0.00 -0.01 0.00 0.00 54.79 53.35 3jvh n ASP 127 Cb 0.11 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.26 3jvh n ASP 127 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3jvh n ARG 128 N -0.72 2.31 -4.66 0.11 1.74 -0.77 -4.98 116.66 109.68 3jvh n ARG 128 Ca 0.10 -1.58 -0.26 0.00 -0.77 0.00 0.00 57.85 55.33 3jvh n ARG 128 Cb 0.05 -1.13 -0.17 0.00 -1.02 0.00 0.00 32.46 30.19 3jvh n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jvh s VAL 129 N -0.89 1.30 0.01 1.55 1.01 -0.90 -1.13 120.40 121.35 3jvh s VAL 129 Ca 0.10 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3jvh s VAL 129 Cb 0.06 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 3jvh s VAL 129 CO 0.08 0.39 -0.07 0.21 0.00 0.00 0.00 175.10 175.71 3jvh s ASN 130 N 0.66 0.85 -0.05 3.32 2.47 0.07 -4.98 114.94 117.28 3jvh s ASN 130 Ca -0.14 -0.22 0.01 0.00 0.42 0.00 0.00 52.86 52.94 3jvh s ASN 130 Cb -0.16 -0.07 0.02 0.00 -1.45 0.00 0.00 41.25 39.59 3jvh s ASN 130 CO 0.04 0.03 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.69 3jvh s VAL 131 N -0.41 0.71 0.11 -5.21 1.01 -1.26 -2.12 120.40 113.23 3jvh s VAL 131 Ca 0.00 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 61.85 3jvh s VAL 131 Cb -0.04 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3jvh s VAL 131 CO -0.00 0.26 -0.24 -0.54 0.00 0.00 0.00 175.10 174.58 3jvh s LYS 132 N 0.81 1.58 -0.08 2.72 1.02 -0.13 -4.97 119.74 120.69 3jvh s LYS 132 Ca -0.13 -1.26 0.04 0.00 0.02 0.00 0.00 55.97 54.65 3jvh s LYS 132 Cb -0.15 -1.98 -0.01 0.00 -0.52 0.00 0.00 37.83 35.17 3jvh s LYS 132 CO 0.01 0.47 -0.22 0.00 -0.92 0.00 0.00 175.35 174.69 3jvh s ALA 133 N -1.05 2.26 0.06 5.17 0.00 -1.26 -0.22 121.76 126.71 3jvh s ALA 133 Ca 0.15 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.15 3jvh s ALA 133 Cb -0.10 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 3jvh s ALA 133 CO 0.07 0.36 -0.10 0.15 0.00 0.00 0.00 175.76 176.24 3jvh s LYS 134 N 0.06 0.63 0.49 0.00 -0.14 0.67 -4.94 119.74 116.51 3jvh s LYS 134 Ca -0.09 -0.85 0.07 0.00 -1.36 0.00 0.00 55.97 53.73 3jvh s LYS 134 Cb -0.15 -0.44 0.03 0.00 -1.68 0.00 0.00 37.83 35.59 3jvh s LYS 134 CO 0.06 0.08 0.67 0.95 -0.76 0.00 0.00 175.35 176.35 3jvh s THR 135 N -1.50 2.74 -0.26 2.17 -4.23 -1.26 -1.08 115.64 112.22 3jvh s THR 135 Ca -0.06 -0.92 0.13 0.00 -1.18 0.00 0.00 61.69 59.65 3jvh s THR 135 Cb -0.09 -2.81 0.72 0.00 1.34 0.00 0.00 72.50 71.66 3jvh s THR 135 CO 0.01 0.00 1.70 -3.20 -0.54 0.00 0.00 174.62 172.59 3jvh n ASN 136 N -2.06 4.88 -4.04 3.99 5.15 -1.26 -4.84 115.26 117.08 3jvh n ASN 136 Ca 0.10 -3.11 -0.33 0.00 -0.60 0.00 0.00 54.58 50.64 3jvh n ASN 136 Cb 0.60 -0.68 -0.00 0.00 -0.53 0.00 0.00 39.78 39.16 3jvh n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3jvh n GLU 137 N 0.00 -4.19 -1.50 1.20 -0.58 -1.26 -1.26 120.64 113.06 3jvh n GLU 137 Ca 0.32 0.47 -0.17 0.00 -0.42 0.00 0.00 57.16 57.36 3jvh n GLU 137 Cb 1.21 -5.28 -0.07 0.00 -0.57 0.00 0.00 31.44 26.73 3jvh n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3jvh n LYS 138 N -4.47 -1.42 -3.64 3.49 4.76 -1.26 -4.99 118.16 110.63 3jvh n LYS 138 Ca 0.06 1.10 -0.37 0.00 -2.87 0.00 0.00 58.31 56.23 3jvh n LYS 138 Cb 0.51 -5.44 -0.06 0.00 -1.84 0.00 0.00 35.03 28.19 3jvh n LYS 138 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3jvh s LEU 139 N -3.93 4.38 0.00 -0.35 1.43 -0.39 -4.54 118.68 115.29 3jvh s LEU 139 Ca 0.00 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 3jvh s LEU 139 Cb 0.00 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.88 3jvh s LEU 139 CO 0.00 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.48 3jvh n GLY 140 N 2.33 -0.25 0.28 -3.19 0.00 -1.26 -1.05 105.19 102.04 3jvh n GLY 140 Ca -0.15 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3jvh n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3jvh h TYR 141 N 0.00 0.55 -0.55 1.61 -0.00 -1.97 -0.74 116.97 115.87 3jvh h TYR 141 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 58.73 58.63 3jvh h TYR 141 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 36.73 36.55 3jvh h TYR 141 CO 0.00 0.52 0.16 -0.07 -0.00 0.00 0.00 178.16 178.77 3jvh h LEU 142 N 0.52 0.81 -1.36 0.10 3.38 -1.82 0.59 115.31 117.52 3jvh h LEU 142 Ca 0.11 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3jvh h LEU 142 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3jvh h LEU 142 CO 0.01 0.81 -0.32 1.23 0.09 0.00 0.00 178.44 180.26 3jvh h GLY 143 N 0.76 0.00 0.24 0.83 0.00 -0.32 -1.73 103.07 102.85 3jvh h GLY 143 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3jvh h GLY 143 CO -0.00 0.00 -0.01 0.54 0.00 0.00 0.00 176.54 177.07 3jvh n ARG 144 N -4.10 1.33 -1.98 4.80 1.74 -0.35 -4.52 116.66 113.57 3jvh n ARG 144 Ca -0.02 -0.51 -0.07 0.00 -0.77 0.00 0.00 57.85 56.49 3jvh n ARG 144 Cb 0.37 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.31 3jvh n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jvh n GLY 145 N 1.10 0.22 0.15 -0.13 0.00 -0.65 -4.94 105.19 100.93 3jvh n GLY 145 Ca 0.21 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.70 3jvh n GLY 145 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3jvh h GLU 146 N 0.00 0.00 0.00 1.61 5.08 -1.09 -3.44 114.58 116.74 3jvh h GLU 146 Ca -0.15 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 3jvh h GLU 146 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3jvh h GLU 146 CO 0.19 0.04 0.19 0.41 -1.00 0.00 0.00 179.01 178.84 3jvh n GLY 147 N 1.17 1.19 2.93 -3.84 0.00 -1.24 -0.92 105.19 104.48 3jvh n GLY 147 Ca 0.01 -1.33 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 3jvh n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jvh s ILE 148 N -2.24 0.54 0.11 -0.61 1.01 -0.50 -4.62 121.20 114.89 3jvh s ILE 148 Ca 0.19 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.69 3jvh s ILE 148 Cb -0.04 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 3jvh s ILE 148 CO 0.14 0.19 0.01 -0.70 0.00 0.00 0.00 174.94 174.58 3jvh s GLU 149 N 0.44 2.56 0.02 2.79 2.12 -0.71 -2.14 118.70 123.78 3jvh s GLU 149 Ca -0.06 -0.87 0.03 0.00 0.36 0.00 0.00 54.97 54.43 3jvh s GLU 149 Cb -0.10 -2.53 -0.02 0.00 0.26 0.00 0.00 34.13 31.75 3jvh s GLU 149 CO 0.00 0.53 -0.09 0.00 -0.54 0.00 0.00 175.26 175.16 3jvh s ALA 150 N -1.40 0.69 0.06 6.30 0.00 0.03 -0.41 121.76 127.03 3jvh s ALA 150 Ca 0.26 -0.59 0.08 0.00 0.00 0.00 0.00 51.96 51.72 3jvh s ALA 150 Cb -0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 3jvh s ALA 150 CO 0.19 0.09 -0.21 -0.65 0.00 0.00 0.00 175.76 175.18 3jvh s GLN 151 N -0.93 1.35 0.03 0.00 -0.21 -0.15 -1.21 119.66 118.54 3jvh s GLN 151 Ca -0.03 -1.03 -0.04 0.00 0.02 0.00 0.00 55.36 54.28 3jvh s GLN 151 Cb -0.07 -1.52 -0.01 0.00 1.00 0.00 0.00 33.01 32.41 3jvh s GLN 151 CO 0.00 0.38 0.07 0.00 -2.12 0.00 0.00 175.29 173.62 3jvh s ALA 152 N -0.91 -0.03 -0.01 6.09 0.00 0.08 -0.99 121.76 125.99 3jvh s ALA 152 Ca 0.08 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.52 3jvh s ALA 152 Cb -0.09 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 3jvh s ALA 152 CO 0.03 -0.27 -0.08 0.00 0.00 0.00 0.00 175.76 175.43 3jvh s ALA 153 N -2.29 0.69 -0.01 0.00 0.00 0.50 -0.86 121.76 119.79 3jvh s ALA 153 Ca -0.08 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.54 3jvh s ALA 153 Cb -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3jvh s ALA 153 CO -0.03 0.17 -0.04 0.00 0.00 0.00 0.00 175.76 175.85 3jvh s ALA 154 N -0.17 0.39 -0.15 0.00 0.00 -0.34 -1.23 121.76 120.26 3jvh s ALA 154 Ca 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 3jvh s ALA 154 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3jvh s ALA 154 CO -0.00 0.07 -0.08 -1.17 0.00 0.00 0.00 175.76 174.58 3jvh s LEU 155 N 0.08 2.97 0.32 0.00 2.96 -0.59 -0.56 118.68 123.85 3jvh s LEU 155 Ca -0.00 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3jvh s LEU 155 Cb -0.04 -1.70 -0.06 0.00 0.50 0.00 0.00 46.19 44.89 3jvh s LEU 155 CO -0.00 0.14 0.04 0.68 -1.32 0.00 0.00 176.35 175.89 3jvh s VAL 156 N 0.49 1.30 -0.01 1.68 -7.23 -0.33 -0.14 120.40 116.15 3jvh s VAL 156 Ca -0.06 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.10 3jvh s VAL 156 Cb -0.15 -2.74 0.01 0.00 0.56 0.00 0.00 36.38 34.06 3jvh s VAL 156 CO 0.03 -0.06 -0.03 0.54 -0.31 0.00 0.00 175.10 175.28 3jvh s VAL 157 N -3.23 0.28 -0.48 1.32 0.11 0.44 -0.76 120.40 118.09 3jvh s VAL 157 Ca 0.35 -0.09 -0.27 0.00 -2.93 0.00 0.00 61.98 59.04 3jvh s VAL 157 Cb 0.08 -0.28 0.03 0.00 -1.53 0.00 0.00 36.38 34.67 3jvh s VAL 157 CO 0.15 0.11 1.01 -0.60 -3.33 0.00 0.00 175.10 172.44 3jvh s ARG 158 N 0.29 3.58 0.00 1.54 3.52 -0.01 -0.32 118.95 127.55 3jvh s ARG 158 Ca -0.03 0.26 0.30 0.00 -0.13 0.00 0.00 55.73 56.14 3jvh s ARG 158 Cb -0.06 -3.93 1.49 0.00 -1.56 0.00 0.00 34.95 30.88 3jvh s ARG 158 CO -0.01 -1.31 1.99 -0.85 -0.81 0.00 0.00 175.30 174.31