#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v4j s VAL 4 N 0.00 1.83 0.08 2.62 1.01 0.26 -4.96 120.40 121.23 2v4j s VAL 4 Ca 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.08 2v4j s VAL 4 Cb 0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2v4j s VAL 4 CO 0.00 0.52 -0.15 0.42 0.00 0.00 0.00 175.10 175.89 2v4j s THR 5 N -0.40 3.06 -0.25 3.92 -4.23 -1.26 0.16 115.64 116.63 2v4j s THR 5 Ca 0.05 -1.26 -0.12 0.00 -1.18 0.00 0.00 61.69 59.18 2v4j s THR 5 Cb -0.10 -2.37 0.09 0.00 1.34 0.00 0.00 72.50 71.46 2v4j s THR 5 CO 0.00 0.21 0.59 -0.47 -0.54 0.00 0.00 174.62 174.41 2v4j s TYR 6 N -1.08 -1.03 -1.72 3.99 5.04 0.18 -4.95 117.35 117.79 2v4j s TYR 6 Ca 0.18 1.95 -0.15 0.00 -2.44 0.00 0.00 57.07 56.61 2v4j s TYR 6 Cb -0.11 0.57 0.14 0.00 0.35 0.00 0.00 41.96 42.92 2v4j s TYR 6 CO 0.09 -0.53 0.53 1.63 -1.34 0.00 0.00 175.55 175.93 2v4j n LYS 7 N 4.79 -1.81 -0.27 4.97 5.02 -1.26 0.12 118.16 129.71 2v4j n LYS 7 Ca -0.17 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2v4j n LYS 7 Cb 0.54 -4.61 0.00 0.00 -0.02 0.00 0.00 35.03 30.94 2v4j n LYS 7 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2v4j n GLY 8 N -1.55 1.88 3.80 0.72 0.00 -1.26 -5.02 105.19 103.76 2v4j n GLY 8 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2v4j n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2v4j s LYS 9 N -0.20 4.02 -0.17 1.61 1.02 0.32 -5.08 119.74 121.26 2v4j s LYS 9 Ca 0.00 0.34 -0.07 0.00 0.02 0.00 0.00 55.97 56.26 2v4j s LYS 9 Cb 0.00 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 2v4j s LYS 9 CO 0.00 0.53 0.07 0.45 -0.92 0.00 0.00 175.35 175.48 2v4j s SER 10 N -0.53 5.74 -0.10 2.83 0.15 -1.26 0.47 113.70 121.00 2v4j s SER 10 Ca 0.23 0.15 0.02 0.00 0.70 0.00 0.00 55.95 57.05 2v4j s SER 10 Cb -0.16 -1.94 0.01 0.00 -1.71 0.00 0.00 66.02 62.22 2v4j s SER 10 CO 0.11 0.22 -0.17 -0.36 1.20 0.00 0.00 173.24 174.25 2v4j s PHE 11 N 0.08 1.99 -0.31 3.44 2.99 0.41 -4.97 117.98 121.59 2v4j s PHE 11 Ca 0.06 -0.86 -0.23 0.00 0.00 0.00 0.00 56.93 55.90 2v4j s PHE 11 Cb -0.12 -1.40 0.00 0.00 0.00 0.00 0.00 43.02 41.50 2v4j s PHE 11 CO 0.00 -0.41 0.78 -1.21 -0.00 0.00 0.00 175.22 174.38 2v4j s GLU 12 N 0.74 3.93 0.21 0.44 0.41 -1.26 -0.57 118.70 122.60 2v4j s GLU 12 Ca -0.12 0.54 0.02 0.00 -0.41 0.00 0.00 54.97 55.00 2v4j s GLU 12 Cb -0.16 -3.74 -0.05 0.00 -1.78 0.00 0.00 34.13 28.40 2v4j s GLU 12 CO 0.02 -0.70 0.04 0.08 -0.49 0.00 0.00 175.26 174.21 2v4j s VAL 13 N 2.97 0.66 0.59 2.63 1.01 -1.26 -2.43 120.40 124.56 2v4j s VAL 13 Ca 0.32 -1.99 0.09 0.00 0.00 0.00 0.00 61.98 60.40 2v4j s VAL 13 Cb -0.14 -2.36 0.09 0.00 0.00 0.00 0.00 36.38 33.97 2v4j s VAL 13 CO 0.13 -0.26 0.77 1.51 0.00 0.00 0.00 175.10 177.25 2v4j s ASP 14 N -3.24 5.00 0.57 3.32 1.47 -0.60 -4.90 116.67 118.28 2v4j s ASP 14 Ca 0.30 -0.94 0.27 0.00 1.18 0.00 0.00 52.55 53.36 2v4j s ASP 14 Cb 0.07 0.42 1.55 0.00 -0.34 0.00 0.00 42.92 44.62 2v4j s ASP 14 CO 0.08 -1.38 2.08 -0.33 0.68 0.00 0.00 175.17 176.30 2v4j h GLU 15 N 0.19 0.00 -0.00 2.11 3.07 -2.03 0.09 114.58 118.01 2v4j h GLU 15 Ca -0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 2v4j h GLU 15 Cb 1.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2v4j h GLU 15 CO 0.42 0.00 -0.20 -0.25 -1.40 0.00 0.00 179.01 177.58 2v4j n ASP 16 N -4.00 0.41 0.00 1.42 8.00 -1.26 -4.93 116.55 116.19 2v4j n ASP 16 Ca 0.03 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.27 2v4j n ASP 16 Cb 0.37 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2v4j n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2v4j n GLY 17 N 1.40 0.61 3.88 0.44 0.00 0.02 -5.06 105.19 106.48 2v4j n GLY 17 Ca 0.10 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 2v4j n GLY 17 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2v4j s PHE 18 N -2.00 3.60 0.30 1.61 0.40 -1.26 -4.84 117.98 115.79 2v4j s PHE 18 Ca 0.00 0.53 -0.29 0.00 -0.60 0.00 0.00 56.93 56.57 2v4j s PHE 18 Cb 0.00 -1.95 -0.10 0.00 0.51 0.00 0.00 43.02 41.48 2v4j s PHE 18 CO 0.00 0.70 1.39 -0.51 0.70 0.00 0.00 175.22 177.50 2v4j s LEU 19 N -1.27 4.39 0.36 -0.37 2.01 -1.26 -1.56 118.68 120.97 2v4j s LEU 19 Ca 0.19 2.73 0.19 0.00 0.01 0.00 0.00 54.13 57.25 2v4j s LEU 19 Cb -0.13 -3.64 0.42 0.00 0.01 0.00 0.00 46.19 42.85 2v4j s LEU 19 CO 0.09 -0.65 1.61 -0.07 1.01 0.00 0.00 176.35 178.33 2v4j h LEU 20 N 4.07 0.00 -7.60 1.79 -0.00 -1.83 -3.44 115.31 108.30 2v4j h LEU 20 Ca -0.48 0.00 -0.42 0.00 -0.00 0.00 0.00 57.88 56.98 2v4j h LEU 20 Cb 1.22 0.00 -0.36 0.00 -0.00 0.00 0.00 40.66 41.52 2v4j h LEU 20 CO 0.71 0.34 -0.77 -0.13 -0.00 0.00 0.00 178.44 178.59 2v4j s ARG 21 N -3.26 0.69 0.34 1.13 0.52 -1.26 -5.01 118.95 112.10 2v4j s ARG 21 Ca 0.03 0.01 0.07 0.00 -0.52 0.00 0.00 55.73 55.32 2v4j s ARG 21 Cb 0.08 -0.89 0.74 0.00 0.52 0.00 0.00 34.95 35.41 2v4j s ARG 21 CO 0.70 -0.20 1.89 0.35 0.02 0.00 0.00 175.30 178.06 2v4j h PHE 22 N 7.77 0.87 0.00 -0.53 3.57 -1.86 -1.03 116.94 125.73 2v4j h PHE 22 Ca -0.29 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.21 2v4j h PHE 22 Cb 1.14 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 2v4j h PHE 22 CO 0.49 0.37 -0.12 -0.44 -2.23 0.00 0.00 178.31 176.38 2v4j h ASP 23 N 0.78 0.00 0.04 0.41 3.32 -1.95 -2.12 116.42 116.90 2v4j h ASP 23 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2v4j h ASP 23 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2v4j h ASP 23 CO -0.18 0.12 0.00 0.47 -1.72 0.00 0.00 179.24 177.93 2v4j n ASP 24 N -3.72 0.00 -4.77 6.45 9.92 -0.39 -4.86 116.55 119.18 2v4j n ASP 24 Ca -0.02 -0.86 -0.38 0.00 -0.53 0.00 0.00 54.79 53.00 2v4j n ASP 24 Cb 0.23 -0.02 -0.05 0.00 -0.64 0.00 0.00 41.12 40.65 2v4j n ASP 24 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2v4j s TRP 25 N -2.04 3.44 0.12 1.24 -0.00 -0.80 -5.02 118.94 115.89 2v4j s TRP 25 Ca 0.43 1.69 -0.13 0.00 -0.00 0.00 0.00 56.10 58.09 2v4j s TRP 25 Cb 0.20 -3.13 0.02 0.00 -0.00 0.00 0.00 33.47 30.55 2v4j s TRP 25 CO 0.34 -0.44 0.33 0.00 -0.00 0.00 0.00 176.95 177.18 2v4j h PRO 27 N 2.50 0.00 0.00 0.00 0.11 -1.99 0.42 132.00 133.04 2v4j h PRO 27 Ca -0.33 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.69 2v4j h PRO 27 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2v4j h PRO 27 CO 0.49 0.00 -0.40 0.93 -0.21 0.00 0.00 178.00 178.82 2v4j h GLU 28 N 0.00 0.00 -0.86 1.05 4.39 -2.00 -2.79 114.58 114.37 2v4j h GLU 28 Ca 0.19 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.89 2v4j h GLU 28 Cb 0.99 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.60 2v4j h GLU 28 CO -0.00 0.40 0.56 2.35 -1.16 0.00 0.00 179.01 181.15 2v4j h TRP 29 N 0.00 1.09 -0.63 4.33 2.91 -1.30 -1.79 115.95 120.57 2v4j h TRP 29 Ca -0.00 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.04 2v4j h TRP 29 Cb 0.82 -0.37 -0.03 0.00 -0.51 0.00 0.00 29.16 29.07 2v4j h TRP 29 CO 0.00 0.70 0.41 0.28 -1.03 0.00 0.00 178.44 178.80 2v4j h VAL 30 N 1.17 1.15 -0.44 2.65 2.07 -1.58 -1.42 116.25 119.86 2v4j h VAL 30 Ca 0.31 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 2v4j h VAL 30 Cb -0.12 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 2v4j h VAL 30 CO -0.07 0.15 -0.18 -0.33 0.02 0.00 0.00 177.57 177.17 2v4j h GLU 31 N 0.84 0.85 -0.42 1.57 3.07 -1.44 -1.80 114.58 117.26 2v4j h GLU 31 Ca 0.23 -0.33 -0.14 0.00 -0.50 0.00 0.00 59.36 58.63 2v4j h GLU 31 Cb -0.08 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 2v4j h GLU 31 CO -0.06 0.96 -0.28 -0.92 -1.40 0.00 0.00 179.01 177.31 2v4j h TYR 32 N 0.75 1.05 0.14 4.33 3.20 -1.06 -3.33 116.97 122.04 2v4j h TYR 32 Ca 0.11 -0.27 -0.29 0.00 3.14 0.00 0.00 58.73 61.41 2v4j h TYR 32 Cb 0.70 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2v4j h TYR 32 CO 0.04 1.07 -1.40 0.28 -1.64 0.00 0.00 178.16 176.51 2v4j h VAL 33 N 0.77 1.32 -0.96 1.81 2.07 -1.21 -3.41 116.25 116.63 2v4j h VAL 33 Ca 0.09 -2.91 0.16 0.00 0.82 0.00 0.00 66.70 64.86 2v4j h VAL 33 Cb 0.84 2.87 -0.16 0.00 -1.52 0.00 0.00 31.29 33.32 2v4j h VAL 33 CO 0.07 0.85 -0.35 2.29 0.02 0.00 0.00 177.57 180.46 2v4j n LYS 34 N -3.51 -0.20 -0.37 1.57 2.85 -0.68 -1.30 118.16 116.52 2v4j n LYS 34 Ca -0.13 1.48 0.01 0.00 -1.05 0.00 0.00 58.31 58.62 2v4j n LYS 34 Cb 1.04 -2.20 0.16 0.00 -0.65 0.00 0.00 35.03 33.38 2v4j n LYS 34 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2v4j h GLU 35 N 0.00 1.20 0.00 -1.58 4.57 -1.72 0.12 114.58 117.17 2v4j h GLU 35 Ca 0.36 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 2v4j h GLU 35 Cb 0.60 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2v4j h GLU 35 CO -0.96 0.79 -0.01 0.66 -1.18 0.00 0.00 179.01 178.31 2v4j h SER 36 N 1.23 0.00 -0.48 1.04 4.64 -1.47 -2.24 113.55 116.27 2v4j h SER 36 Ca 0.41 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.64 2v4j h SER 36 Cb 0.05 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 2v4j h SER 36 CO -0.14 0.01 0.08 -0.62 -0.87 0.00 0.00 176.83 175.29 2v4j n GLU 37 N -3.15 3.44 -1.98 4.77 -0.58 0.28 -4.94 120.64 118.48 2v4j n GLU 37 Ca -0.02 -3.03 -0.13 0.00 -0.42 0.00 0.00 57.16 53.57 2v4j n GLU 37 Cb 0.18 -2.04 -0.02 0.00 -0.57 0.00 0.00 31.44 28.98 2v4j n GLU 37 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2v4j n GLY 38 N -0.26 0.30 3.16 0.62 0.00 -0.84 -4.29 105.19 103.89 2v4j n GLY 38 Ca 0.30 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2v4j n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2v4j s ILE 39 N -2.58 1.78 -0.27 -0.61 1.01 -0.37 -4.83 121.20 115.32 2v4j s ILE 39 Ca 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 2v4j s ILE 39 Cb 0.00 -1.55 -0.14 0.00 0.01 0.00 0.00 42.46 40.77 2v4j s ILE 39 CO 0.00 0.50 -0.30 -1.54 0.00 0.00 0.00 174.94 173.60 2v4j n SER 40 N 3.60 1.97 -4.18 3.58 3.41 -1.26 -2.47 113.62 118.26 2v4j n SER 40 Ca -0.20 0.12 -0.30 0.00 -0.26 0.00 0.00 58.87 58.23 2v4j n SER 40 Cb 0.53 -0.63 -0.17 0.00 -0.26 0.00 0.00 64.21 63.67 2v4j n SER 40 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2v4j s ASP 41 N -7.06 2.81 -0.72 4.04 -0.00 -1.26 -4.96 116.67 109.52 2v4j s ASP 41 Ca -0.37 -0.50 -0.23 0.00 -0.00 0.00 0.00 52.55 51.45 2v4j s ASP 41 Cb 0.12 -1.23 0.07 0.00 -0.00 0.00 0.00 42.92 41.88 2v4j s ASP 41 CO 0.54 0.14 1.08 -0.63 -0.00 0.00 0.00 175.17 176.30 2v4j s ILE 42 N 0.35 4.20 0.93 0.77 -1.09 -1.26 -5.02 121.20 120.07 2v4j s ILE 42 Ca -0.16 -0.32 -0.16 0.00 -2.23 0.00 0.00 60.65 57.78 2v4j s ILE 42 Cb -0.17 -4.77 0.22 0.00 -1.58 0.00 0.00 42.46 36.16 2v4j s ILE 42 CO 0.07 -1.58 1.10 -1.54 -1.23 0.00 0.00 174.94 171.76 2v4j n SER 43 N 8.05 -0.56 0.19 3.58 3.41 -1.26 -4.86 113.62 122.17 2v4j n SER 43 Ca 0.02 -1.32 0.06 0.00 -0.26 0.00 0.00 58.87 57.38 2v4j n SER 43 Cb 0.47 -0.89 0.30 0.00 -0.26 0.00 0.00 64.21 63.83 2v4j n SER 43 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2v4j h PRO 44 N 0.00 0.00 -0.10 4.33 0.11 -1.99 -2.37 132.00 131.98 2v4j h PRO 44 Ca -0.37 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.57 2v4j h PRO 44 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2v4j h PRO 44 CO 0.26 0.36 -0.66 -0.44 -0.21 0.00 0.00 178.00 177.31 2v4j h ASP 45 N 0.00 0.47 0.24 -2.05 3.32 -1.99 -0.55 116.42 115.85 2v4j h ASP 45 Ca -0.00 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 2v4j h ASP 45 Cb 0.96 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2v4j h ASP 45 CO 0.05 1.00 -0.12 0.45 -1.72 0.00 0.00 179.24 178.90 2v4j h HIS 46 N 0.29 -0.30 -0.83 4.55 3.86 -1.86 -2.67 115.15 118.18 2v4j h HIS 46 Ca -0.02 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.26 2v4j h HIS 46 Cb 1.21 0.10 -0.05 0.00 1.06 0.00 0.00 27.41 29.73 2v4j h HIS 46 CO 0.04 -0.05 0.54 0.37 0.86 0.00 0.00 177.93 179.69 2v4j h GLN 47 N -0.51 0.87 -0.36 2.45 5.75 -1.35 -0.98 115.11 120.97 2v4j h GLN 47 Ca -0.03 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 2v4j h GLN 47 Cb 0.38 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 2v4j h GLN 47 CO 0.05 0.58 0.24 -0.22 -2.65 0.00 0.00 178.83 176.83 2v4j h LYS 48 N 0.90 0.48 -0.29 1.69 3.64 -0.96 0.25 116.57 122.28 2v4j h LYS 48 Ca 0.36 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 2v4j h LYS 48 Cb 0.26 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2v4j h LYS 48 CO -0.13 0.32 0.05 0.82 -2.27 0.00 0.00 179.45 178.24 2v4j h ILE 49 N 0.49 1.23 -0.48 2.00 2.04 -1.07 -1.44 117.51 120.28 2v4j h ILE 49 Ca 0.13 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 2v4j h ILE 49 Cb -0.05 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2v4j h ILE 49 CO -0.03 0.26 0.30 0.40 0.00 0.00 0.00 178.15 179.08 2v4j h ILE 50 N 0.30 1.14 -0.41 -0.67 2.04 -0.95 -2.06 117.51 116.91 2v4j h ILE 50 Ca 0.09 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2v4j h ILE 50 Cb 0.33 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2v4j h ILE 50 CO 0.01 0.14 0.26 0.44 0.00 0.00 0.00 178.15 179.00 2v4j h ASP 51 N 0.64 0.47 0.06 1.72 3.32 -0.40 -2.09 116.42 120.14 2v4j h ASP 51 Ca 0.17 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.21 2v4j h ASP 51 Cb -0.03 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2v4j h ASP 51 CO -0.03 0.36 -0.12 0.15 -1.72 0.00 0.00 179.24 177.88 2v4j h PHE 52 N 0.55 -0.30 -0.51 4.55 3.57 -0.97 0.65 116.94 124.48 2v4j h PHE 52 Ca 0.15 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.74 2v4j h PHE 52 Cb -0.05 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.75 2v4j h PHE 52 CO -0.04 -0.18 0.10 -0.07 -2.23 0.00 0.00 178.31 175.89 2v4j h LEU 53 N -0.23 -0.00 -0.40 0.59 3.38 -1.25 0.10 115.31 117.50 2v4j h LEU 53 Ca 0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2v4j h LEU 53 Cb 0.25 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2v4j h LEU 53 CO -0.07 0.02 0.20 1.56 0.09 0.00 0.00 178.44 180.24 2v4j h GLN 54 N 0.23 0.57 0.18 1.13 4.20 -1.02 0.32 115.11 120.73 2v4j h GLN 54 Ca 0.26 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2v4j h GLN 54 Cb 0.35 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2v4j h GLN 54 CO -0.34 0.49 -0.09 -0.44 -0.67 0.00 0.00 178.83 177.79 2v4j h ASP 55 N 0.51 -0.21 -0.51 1.46 3.32 -0.30 -0.70 116.42 119.99 2v4j h ASP 55 Ca 0.14 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.24 2v4j h ASP 55 Cb 0.10 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 2v4j h ASP 55 CO -0.02 -0.15 0.26 0.22 -1.72 0.00 0.00 179.24 177.83 2v4j h TYR 56 N -0.25 0.47 -0.16 4.55 3.20 -0.67 -1.18 116.97 122.93 2v4j h TYR 56 Ca -0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2v4j h TYR 56 Cb 0.19 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2v4j h TYR 56 CO -0.07 0.22 0.06 -0.92 -1.64 0.00 0.00 178.16 175.81 2v4j h TYR 57 N 0.50 0.25 -0.77 -3.82 3.20 -0.77 0.36 116.97 115.92 2v4j h TYR 57 Ca 0.23 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.10 2v4j h TYR 57 Cb 0.14 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 2v4j h TYR 57 CO -0.11 0.34 0.51 0.87 -1.64 0.00 0.00 178.16 178.14 2v4j h LYS 58 N 0.09 0.95 0.16 1.82 1.57 -0.89 0.23 116.57 120.50 2v4j h LYS 58 Ca 0.05 -0.06 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 2v4j h LYS 58 Cb 0.20 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.31 2v4j h LYS 58 CO -0.00 0.63 -1.45 -0.22 -0.57 0.00 0.00 179.45 177.83 2v4j h LYS 59 N 0.98 0.34 0.00 3.15 3.64 -1.02 -3.41 116.57 120.25 2v4j h LYS 59 Ca 0.30 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2v4j h LYS 59 Cb -0.01 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2v4j h LYS 59 CO -0.08 1.24 -1.07 0.09 -2.27 0.00 0.00 179.45 177.36 2v4j n ASN 60 N -3.55 1.56 0.00 4.20 4.13 0.12 -5.00 115.26 116.72 2v4j n ASN 60 Ca -0.15 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 55.77 2v4j n ASN 60 Cb 1.06 1.29 0.00 0.00 -1.54 0.00 0.00 39.78 40.58 2v4j n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2v4j n GLY 61 N 1.59 0.52 3.10 7.41 0.00 0.78 -4.99 105.19 113.61 2v4j n GLY 61 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 2v4j n GLY 61 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2v4j s ILE 62 N -2.27 0.20 0.34 -0.61 -4.36 -1.26 -5.06 121.20 108.18 2v4j s ILE 62 Ca 0.00 -1.68 -0.26 0.00 -0.26 0.00 0.00 60.65 58.46 2v4j s ILE 62 Cb 0.00 -1.44 -0.10 0.00 1.25 0.00 0.00 42.46 42.17 2v4j s ILE 62 CO 0.00 -0.93 0.95 0.00 0.24 0.00 0.00 174.94 175.21 2v4j s ALA 63 N -3.81 3.19 0.57 2.27 0.00 -1.26 -3.86 121.76 118.86 2v4j s ALA 63 Ca 0.06 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.39 2v4j s ALA 63 Cb 0.07 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 2v4j s ALA 63 CO -0.10 0.14 1.04 -1.25 0.00 0.00 0.00 175.76 175.60 2v4j s PRO 64 N -2.18 3.46 0.67 0.00 0.04 -1.26 -5.00 135.00 130.74 2v4j s PRO 64 Ca 0.52 1.16 -0.16 0.00 0.04 0.00 0.00 61.00 62.56 2v4j s PRO 64 Cb -0.18 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.31 2v4j s PRO 64 CO 0.23 -0.69 1.17 -1.64 0.04 0.00 0.00 177.00 176.11 2v4j s MET 65 N -4.04 2.56 0.27 4.56 -1.94 -1.26 -4.75 119.30 114.69 2v4j s MET 65 Ca 0.63 1.64 0.01 0.00 -1.71 0.00 0.00 55.69 56.26 2v4j s MET 65 Cb -0.15 -1.90 0.58 0.00 2.01 0.00 0.00 34.83 35.38 2v4j s MET 65 CO 0.35 -1.49 1.77 0.28 -0.01 0.00 0.00 175.02 175.93 2v4j h VAL 66 N 0.09 0.74 0.00 -6.03 2.07 -1.99 0.22 116.25 111.34 2v4j h VAL 66 Ca -0.48 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 2v4j h VAL 66 Cb 1.28 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2v4j h VAL 66 CO 0.52 0.13 -0.27 0.08 0.02 0.00 0.00 177.57 178.05 2v4j h ARG 67 N 0.70 0.00 0.12 1.57 0.11 -1.99 -1.31 114.38 113.57 2v4j h ARG 67 Ca 0.50 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 60.28 2v4j h ARG 67 Cb 0.70 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.80 2v4j h ARG 67 CO -0.36 0.27 -1.24 0.82 0.10 0.00 0.00 179.97 179.57 2v4j h ILE 68 N 0.00 1.31 -0.27 0.08 2.04 -1.36 -1.77 117.51 117.54 2v4j h ILE 68 Ca -0.00 -2.53 -0.01 0.00 1.00 0.00 0.00 64.86 63.32 2v4j h ILE 68 Cb 0.59 2.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 2v4j h ILE 68 CO 0.04 0.76 0.14 0.25 0.00 0.00 0.00 178.15 179.33 2v4j h LEU 69 N 0.25 0.34 -0.23 1.44 5.85 -0.87 -1.41 115.31 120.68 2v4j h LEU 69 Ca -0.18 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 2v4j h LEU 69 Cb 1.91 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 2v4j h LEU 69 CO 0.23 0.35 0.13 0.28 -0.34 0.00 0.00 178.44 179.09 2v4j h SER 70 N 0.30 0.30 0.05 1.25 0.02 -1.28 0.16 113.55 114.35 2v4j h SER 70 Ca 0.09 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2v4j h SER 70 Cb 0.10 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2v4j h SER 70 CO -0.01 0.30 -0.02 0.50 -1.14 0.00 0.00 176.83 176.45 2v4j h LYS 71 N 0.27 -0.07 -0.30 3.45 3.64 -1.19 0.50 116.57 122.86 2v4j h LYS 71 Ca 0.08 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 2v4j h LYS 71 Cb 0.07 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2v4j h LYS 71 CO -0.01 0.07 -0.36 -0.91 -2.27 0.00 0.00 179.45 175.97 2v4j h ASN 72 N -0.19 0.73 1.14 4.20 4.21 -1.28 -3.24 115.58 121.15 2v4j h ASN 72 Ca -0.01 -0.31 -0.17 0.00 1.21 0.00 0.00 56.30 57.03 2v4j h ASN 72 Cb 0.17 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.14 2v4j h ASN 72 CO 0.01 1.02 -0.88 0.00 -1.29 0.00 0.00 177.43 176.29 2v4j h THR 73 N 0.58 1.17 0.00 2.81 1.03 -0.93 -3.47 112.91 114.10 2v4j h THR 73 Ca 0.06 -2.72 0.00 0.00 -0.01 0.00 0.00 66.41 63.73 2v4j h THR 73 Cb 0.88 2.56 0.00 0.00 -1.07 0.00 0.00 68.15 70.52 2v4j h THR 73 CO 0.08 0.67 0.00 0.61 -0.01 0.00 0.00 175.52 176.87 2v4j n GLY 74 N 1.32 1.83 3.59 2.99 0.00 0.17 -5.00 105.19 110.09 2v4j n GLY 74 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2v4j n GLY 74 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2v4j s PHE 75 N -3.24 3.18 0.89 1.61 0.08 -1.15 -4.99 117.98 114.36 2v4j s PHE 75 Ca 0.00 0.54 -0.11 0.00 0.12 0.00 0.00 56.93 57.48 2v4j s PHE 75 Cb 0.00 -3.13 0.13 0.00 -0.57 0.00 0.00 43.02 39.44 2v4j s PHE 75 CO 0.00 -0.58 1.10 0.15 -0.10 0.00 0.00 175.22 175.79 2v4j s LYS 76 N 2.77 1.30 0.26 0.44 1.02 -1.26 -4.31 119.74 119.96 2v4j s LYS 76 Ca 0.27 1.13 -0.01 0.00 0.02 0.00 0.00 55.97 57.38 2v4j s LYS 76 Cb -0.14 -1.79 0.51 0.00 -0.52 0.00 0.00 37.83 35.88 2v4j s LYS 76 CO 0.14 -2.30 1.79 1.25 -0.92 0.00 0.00 175.35 175.30 2v4j h LEU 77 N -1.61 0.63 -0.34 3.17 5.85 -1.96 -0.88 115.31 120.17 2v4j h LEU 77 Ca -0.47 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.37 2v4j h LEU 77 Cb 1.27 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 2v4j h LEU 77 CO 0.50 0.30 0.09 0.50 -0.34 0.00 0.00 178.44 179.49 2v4j h LYS 78 N 0.72 0.21 -0.71 1.25 3.64 -2.00 -1.41 116.57 118.27 2v4j h LYS 78 Ca 0.45 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.81 2v4j h LYS 78 Cb 0.56 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 2v4j h LYS 78 CO -0.32 0.14 0.41 0.93 -2.27 0.00 0.00 179.45 178.35 2v4j h GLU 79 N 0.22 0.98 -0.82 1.90 5.08 -1.60 -2.00 114.58 118.34 2v4j h GLU 79 Ca 0.16 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2v4j h GLU 79 Cb 0.16 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2v4j h GLU 79 CO -0.19 0.71 0.51 0.28 -1.00 0.00 0.00 179.01 179.33 2v4j h VAL 80 N 0.98 1.09 0.00 3.13 2.07 -0.59 -1.86 116.25 121.07 2v4j h VAL 80 Ca 0.25 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 2v4j h VAL 80 Cb -0.00 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 2v4j h VAL 80 CO -0.04 0.18 -0.33 1.88 0.02 0.00 0.00 177.57 179.27 2v4j h TYR 81 N 0.98 0.00 -0.33 1.57 0.05 -0.77 0.19 116.97 118.66 2v4j h TYR 81 Ca 0.34 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.98 2v4j h TYR 81 Cb 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2v4j h TYR 81 CO -0.03 0.33 -0.35 0.93 -1.05 0.00 0.00 178.16 177.99 2v4j h GLU 82 N 0.00 0.75 0.02 4.88 5.08 -0.64 -2.53 114.58 122.14 2v4j h GLU 82 Ca -0.00 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 2v4j h GLU 82 Cb 0.77 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.02 2v4j h GLU 82 CO 0.04 0.99 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.74 2v4j h LEU 83 N 0.63 0.17 -7.52 1.33 3.38 -1.11 -3.41 115.31 108.78 2v4j h LEU 83 Ca 0.06 -0.86 -0.65 0.00 0.09 0.00 0.00 57.88 56.53 2v4j h LEU 83 Cb 0.89 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 41.18 2v4j h LEU 83 CO 0.08 1.01 -0.68 -0.36 0.09 0.00 0.00 178.44 178.58 2v4j s PHE 84 N -2.80 3.44 0.37 1.13 0.08 0.64 -4.89 117.98 115.95 2v4j s PHE 84 Ca -0.17 -3.08 0.14 0.00 0.12 0.00 0.00 56.93 53.95 2v4j s PHE 84 Cb -0.00 -2.85 0.98 0.00 -0.57 0.00 0.00 43.02 40.57 2v4j s PHE 84 CO 0.73 -0.84 1.79 -1.35 -0.10 0.00 0.00 175.22 175.45 2v4j h PRO 85 N 7.05 0.50 -0.01 0.24 0.11 -1.63 -0.32 132.00 137.93 2v4j h PRO 85 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2v4j h PRO 85 Cb 0.95 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2v4j h PRO 85 CO 0.60 0.33 -0.02 -1.13 -0.21 0.00 0.00 178.00 177.57 2v4j n SER 86 N -4.66 1.00 0.00 -2.05 3.41 -1.26 -5.00 113.62 105.06 2v4j n SER 86 Ca 0.24 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 2v4j n SER 86 Cb 0.74 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 2v4j n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2v4j n GLY 87 N 1.14 0.57 0.20 5.00 0.00 -0.13 -4.27 105.19 107.70 2v4j n GLY 87 Ca 0.20 -2.11 0.06 0.00 0.00 0.00 0.00 46.02 44.17 2v4j n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2v4j h PRO 88 N 0.00 0.00 0.00 1.61 0.13 -1.89 -1.68 132.00 130.16 2v4j h PRO 88 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2v4j h PRO 88 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2v4j h PRO 88 CO 0.00 0.33 0.00 0.41 -0.23 0.00 0.00 178.00 178.51 2v4j n GLY 89 N -0.02 0.27 0.28 1.56 0.00 -1.26 -1.21 105.19 104.81 2v4j n GLY 89 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 2v4j n GLY 89 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2v4j h LYS 90 N 0.00 0.36 0.00 1.61 3.64 -1.74 -2.92 116.57 117.52 2v4j h LYS 90 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2v4j h LYS 90 Cb 0.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2v4j h LYS 90 CO 0.00 0.30 0.00 0.41 -2.27 0.00 0.00 179.45 177.89 2v4j n GLY 91 N -1.31 0.45 0.28 5.01 0.00 -0.67 -4.10 105.19 104.84 2v4j n GLY 91 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2v4j n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2v4j h ALA 92 N -2.00 0.88 -0.62 4.61 0.00 -1.48 -1.71 119.26 118.94 2v4j h ALA 92 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2v4j h ALA 92 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2v4j h ALA 92 CO 0.00 0.34 0.13 0.00 0.00 0.00 0.00 179.25 179.73 2v4j h LYS 94 N 0.92 -0.11 0.00 0.00 3.64 -1.48 -1.44 116.57 118.10 2v4j h LYS 94 Ca 0.19 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 2v4j h LYS 94 Cb 0.38 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2v4j h LYS 94 CO 0.01 0.03 -0.19 0.52 -2.27 0.00 0.00 179.45 177.55 2v4j h MET 95 N -0.24 0.00 0.00 1.90 2.86 -1.22 -2.34 114.93 115.89 2v4j h MET 95 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2v4j h MET 95 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2v4j h MET 95 CO 0.02 0.19 -0.26 0.00 1.06 0.00 0.00 176.91 177.93 2v4j n ALA 96 N -2.35 2.59 -0.69 6.32 0.00 0.29 -4.59 120.51 122.08 2v4j n ALA 96 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2v4j n ALA 96 Cb 0.29 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2v4j n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2v4j n GLY 97 N 1.35 0.63 3.83 0.00 0.00 -0.62 -4.84 105.19 105.53 2v4j n GLY 97 Ca 0.05 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 2v4j n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2v4j s LEU 98 N 0.00 2.86 0.60 0.99 1.43 -0.74 -4.06 118.68 119.77 2v4j s LEU 98 Ca 0.00 1.35 -0.19 0.00 -1.03 0.00 0.00 54.13 54.27 2v4j s LEU 98 Cb 0.00 -4.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.07 2v4j s LEU 98 CO 0.00 -1.59 1.23 -2.84 0.23 0.00 0.00 176.35 173.39 2v4j s PRO 99 N -5.18 2.88 0.34 1.29 0.02 -1.26 -4.71 135.00 128.39 2v4j s PRO 99 Ca 0.59 1.89 -0.29 0.00 0.02 0.00 0.00 61.00 63.22 2v4j s PRO 99 Cb -0.13 -1.92 -0.12 0.00 0.02 0.00 0.00 34.50 32.35 2v4j s PRO 99 CO 0.54 -1.29 1.44 1.17 -0.33 0.00 0.00 177.00 178.52 2v4j n LYS 100 N -1.65 2.47 -1.91 5.54 4.81 -1.26 -4.92 118.16 121.24 2v4j n LYS 100 Ca 0.14 0.87 -0.41 0.00 -0.87 0.00 0.00 58.31 58.04 2v4j n LYS 100 Cb 0.49 -2.56 -0.01 0.00 0.02 0.00 0.00 35.03 32.97 2v4j n LYS 100 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2v4j s PRO 101 N -1.68 4.20 0.43 1.64 0.02 -1.26 -5.01 135.00 133.34 2v4j s PRO 101 Ca 0.56 2.44 0.04 0.00 0.02 0.00 0.00 61.00 64.07 2v4j s PRO 101 Cb -0.52 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 30.93 2v4j s PRO 101 CO 0.60 -0.44 0.02 0.95 -0.33 0.00 0.00 177.00 177.81 2v4j s THR 102 N -0.83 1.52 0.00 0.99 -4.23 -1.26 -5.02 115.64 106.81 2v4j s THR 102 Ca 0.54 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 2v4j s THR 102 Cb -0.44 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 70.74 2v4j s THR 102 CO 0.56 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 2v4j n GLY 103 N -1.02 -1.61 3.51 3.99 0.00 -1.26 -4.76 105.19 104.04 2v4j n GLY 103 Ca -0.09 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 2v4j n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32