#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df7 s LEU 2 N 0.00 4.28 -0.19 1.04 1.43 -1.26 -4.92 118.68 119.06 3df7 s LEU 2 Ca 0.00 1.35 -0.18 0.00 -1.03 0.00 0.00 54.13 54.26 3df7 s LEU 2 Cb 0.00 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 3df7 s LEU 2 CO 0.00 -0.27 0.52 -0.54 0.23 0.00 0.00 176.35 176.29 3df7 s LYS 3 N 1.36 4.21 -0.25 1.70 -0.14 -1.26 -0.85 119.74 124.51 3df7 s LYS 3 Ca 0.43 0.43 -0.05 0.00 -1.36 0.00 0.00 55.97 55.41 3df7 s LYS 3 Cb -0.18 -3.55 -0.00 0.00 -1.68 0.00 0.00 37.83 32.42 3df7 s LYS 3 CO 0.19 -0.12 0.00 -1.17 -0.76 0.00 0.00 175.35 173.49 3df7 s LEU 4 N 1.54 3.24 -0.41 3.17 2.96 -0.32 -0.60 118.68 128.27 3df7 s LEU 4 Ca 0.24 -0.51 -0.27 0.00 -0.22 0.00 0.00 54.13 53.37 3df7 s LEU 4 Cb -0.15 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.77 3df7 s LEU 4 CO 0.10 -0.08 1.02 0.12 -1.32 0.00 0.00 176.35 176.19 3df7 s PHE 5 N 1.48 2.98 -0.20 5.38 5.36 0.35 -0.67 117.98 132.67 3df7 s PHE 5 Ca 0.04 0.76 -0.06 0.00 -0.96 0.00 0.00 56.93 56.71 3df7 s PHE 5 Cb -0.15 -3.96 -0.03 0.00 -0.34 0.00 0.00 43.02 38.54 3df7 s PHE 5 CO -0.01 -1.00 0.02 -1.17 -1.46 0.00 0.00 175.22 171.59 3df7 s LEU 6 N 3.86 3.42 -0.04 6.12 2.96 -0.92 -1.26 118.68 132.82 3df7 s LEU 6 Ca 0.42 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.20 3df7 s LEU 6 Cb -0.10 -1.87 0.03 0.00 0.50 0.00 0.00 46.19 44.76 3df7 s LEU 6 CO 0.24 0.09 0.09 0.12 -1.32 0.00 0.00 176.35 175.57 3df7 s PHE 7 N 0.83 -0.07 -0.06 5.38 5.36 -0.84 -4.60 117.98 123.98 3df7 s PHE 7 Ca 0.01 0.30 0.03 0.00 -0.96 0.00 0.00 56.93 56.32 3df7 s PHE 7 Cb -0.14 -0.16 0.01 0.00 -0.34 0.00 0.00 43.02 42.39 3df7 s PHE 7 CO 0.02 -0.13 -0.14 -2.00 -1.46 0.00 0.00 175.22 171.52 3df7 s GLU 8 N 1.09 1.74 0.15 10.12 -6.30 -1.26 -0.33 118.70 123.92 3df7 s GLU 8 Ca -0.09 -0.47 -0.19 0.00 -2.50 0.00 0.00 54.97 51.72 3df7 s GLU 8 Cb -0.12 -1.44 0.05 0.00 0.00 0.00 0.00 34.13 32.62 3df7 s GLU 8 CO -0.04 0.08 1.66 0.35 0.02 0.00 0.00 175.26 177.33 3df7 h PHE 9 N 6.78 -0.31 -0.49 5.30 3.57 -1.35 0.85 116.94 131.29 3df7 h PHE 9 Ca -0.31 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.16 3df7 h PHE 9 Cb 1.19 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 3df7 h PHE 9 CO 0.47 -0.20 0.02 0.00 -2.23 0.00 0.00 178.31 176.38 3df7 h ALA 10 N 1.19 1.13 0.02 2.41 0.00 -1.86 0.47 119.26 122.61 3df7 h ALA 10 Ca 0.16 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 3df7 h ALA 10 Cb 0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3df7 h ALA 10 CO -0.36 0.56 -1.16 1.15 0.00 0.00 0.00 179.25 179.44 3df7 h THR 11 N 0.75 1.53 0.00 0.00 2.02 -1.81 -3.40 112.91 112.00 3df7 h THR 11 Ca 0.15 -3.25 0.00 0.00 0.77 0.00 0.00 66.41 64.08 3df7 h THR 11 Cb 0.42 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 3df7 h THR 11 CO 0.02 0.89 -0.18 0.00 0.37 0.00 0.00 175.52 176.61 3df7 n GLY 13 N 1.16 0.65 3.90 0.00 0.00 0.16 -4.53 105.19 106.54 3df7 n GLY 13 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3df7 n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3df7 s GLU 14 N 3.18 3.61 0.07 1.61 0.41 -1.23 -4.93 118.70 121.43 3df7 s GLU 14 Ca 0.00 0.28 -0.30 0.00 -0.41 0.00 0.00 54.97 54.54 3df7 s GLU 14 Cb 0.00 -2.38 -0.05 0.00 -1.78 0.00 0.00 34.13 29.92 3df7 s GLU 14 CO 0.00 -0.15 1.03 0.50 -0.49 0.00 0.00 175.26 176.15 3df7 s ARG 15 N -4.46 4.59 0.31 1.61 6.06 -1.26 -4.56 118.95 121.24 3df7 s ARG 15 Ca 0.48 1.54 0.06 0.00 -2.50 0.00 0.00 55.73 55.31 3df7 s ARG 15 Cb -0.10 -3.39 -0.06 0.00 0.06 0.00 0.00 34.95 31.46 3df7 s ARG 15 CO 0.41 0.02 -0.02 0.96 -2.50 0.00 0.00 175.30 174.17 3df7 s ILE 16 N 0.49 1.60 0.32 4.11 -4.36 -1.26 -5.10 121.20 117.00 3df7 s ILE 16 Ca 0.51 -2.08 -0.28 0.00 -0.26 0.00 0.00 60.65 58.54 3df7 s ILE 16 Cb -0.24 -2.63 -0.13 0.00 1.25 0.00 0.00 42.46 40.70 3df7 s ILE 16 CO 0.30 -0.17 1.20 -1.84 0.24 0.00 0.00 174.94 174.66 3df7 n GLU 17 N -0.68 1.85 -0.30 0.37 0.28 -1.26 -4.67 120.64 116.22 3df7 n GLU 17 Ca -0.04 0.65 0.13 0.00 -0.16 0.00 0.00 57.16 57.74 3df7 n GLU 17 Cb 0.65 -2.16 0.37 0.00 1.43 0.00 0.00 31.44 31.73 3df7 n GLU 17 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3df7 h ASP 18 N 2.43 0.67 -0.56 -1.84 3.32 -1.97 -0.32 116.42 118.16 3df7 h ASP 18 Ca -0.44 0.06 0.09 0.00 0.02 0.00 0.00 57.03 56.77 3df7 h ASP 18 Cb 1.30 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.71 3df7 h ASP 18 CO 0.62 0.29 0.16 -1.28 -1.72 0.00 0.00 179.24 177.32 3df7 h SER 19 N 0.69 0.11 0.62 6.45 0.87 -1.89 -0.18 113.55 120.21 3df7 h SER 19 Ca 0.50 0.09 -0.28 0.00 -1.23 0.00 0.00 61.79 60.88 3df7 h SER 19 Cb 0.86 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 3df7 h SER 19 CO -0.26 0.08 -1.35 0.74 -0.53 0.00 0.00 176.83 175.51 3df7 h THR 20 N 0.32 1.35 -0.62 2.23 2.02 -1.78 -3.34 112.91 113.09 3df7 h THR 20 Ca 0.28 -3.00 -0.00 0.00 0.77 0.00 0.00 66.41 64.46 3df7 h THR 20 Cb 0.37 2.81 -0.03 0.00 -1.74 0.00 0.00 68.15 69.56 3df7 h THR 20 CO -0.32 0.85 0.39 0.00 0.37 0.00 0.00 175.52 176.80 3df7 h ALA 21 N 0.66 1.51 -0.35 6.16 0.00 -0.52 -2.31 119.26 124.41 3df7 h ALA 21 Ca -0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3df7 h ALA 21 Cb 1.95 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 3df7 h ALA 21 CO 0.16 0.44 0.10 -0.24 0.00 0.00 0.00 179.25 179.71 3df7 h VAL 22 N 0.85 1.16 -0.16 0.00 3.04 -1.16 0.54 116.25 120.52 3df7 h VAL 22 Ca 0.23 -0.53 -0.12 0.00 -1.01 0.00 0.00 66.70 65.27 3df7 h VAL 22 Cb -0.05 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.01 3df7 h VAL 22 CO -0.04 0.19 -0.37 -0.33 -1.01 0.00 0.00 177.57 176.01 3df7 h GLU 23 N 0.50 0.53 -0.56 4.17 5.08 -1.60 -2.00 114.58 120.70 3df7 h GLU 23 Ca 0.12 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3df7 h GLU 23 Cb 0.17 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3df7 h GLU 23 CO -0.01 0.97 0.29 0.78 -1.00 0.00 0.00 179.01 180.05 3df7 h GLY 24 N 0.17 0.85 1.01 -3.84 0.00 -1.13 -2.66 103.07 97.47 3df7 h GLY 24 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3df7 h GLY 24 CO 0.08 0.38 0.49 -2.00 0.00 0.00 0.00 176.54 175.50 3df7 h LEU 25 N 0.75 0.99 -1.33 3.11 5.85 -0.91 -0.32 115.31 123.46 3df7 h LEU 25 Ca 0.19 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3df7 h LEU 25 Cb 0.08 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3df7 h LEU 25 CO -0.03 0.77 0.00 0.00 -0.34 0.00 0.00 178.44 178.84 3df7 n ALA 26 N -2.36 1.37 0.00 1.25 0.00 -0.75 -1.21 120.51 118.81 3df7 n ALA 26 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3df7 n ALA 26 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3df7 n ALA 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3df7 n PHE 28 N 0.59 0.00 -0.08 0.00 7.35 -0.13 -1.09 117.46 124.10 3df7 n PHE 28 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 3df7 n PHE 28 Cb 0.05 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.87 3df7 n PHE 28 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3df7 h LYS 29 N 0.00 0.29 -0.70 -4.13 3.64 -1.42 0.34 116.57 114.59 3df7 h LYS 29 Ca 0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3df7 h LYS 29 Cb 0.00 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3df7 h LYS 29 CO 0.00 0.19 0.37 1.03 -2.27 0.00 0.00 179.45 178.78 3df7 h SER 30 N 0.30 0.89 -0.40 4.20 0.87 -1.36 -0.66 113.55 117.39 3df7 h SER 30 Ca 0.12 -0.10 -0.15 0.00 -1.23 0.00 0.00 61.79 60.42 3df7 h SER 30 Cb 0.03 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3df7 h SER 30 CO -0.07 0.74 -0.33 0.00 -0.53 0.00 0.00 176.83 176.63 3df7 h ALA 31 N 1.19 0.63 0.02 6.23 0.00 -1.72 -1.99 119.26 123.61 3df7 h ALA 31 Ca 0.25 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3df7 h ALA 31 Cb 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3df7 h ALA 31 CO -0.04 0.68 -0.01 0.35 0.00 0.00 0.00 179.25 180.23 3df7 h PHE 32 N 0.79 -0.03 0.00 0.00 3.57 -0.02 0.28 116.94 121.54 3df7 h PHE 32 Ca 0.08 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3df7 h PHE 32 Cb 0.92 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 3df7 h PHE 32 CO 0.06 0.05 -0.16 -0.44 -2.23 0.00 0.00 178.31 175.58 3df7 h ASP 33 N -0.09 0.00 0.00 0.41 3.32 -1.11 -2.36 116.42 116.59 3df7 h ASP 33 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3df7 h ASP 33 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3df7 h ASP 33 CO 0.00 0.16 -0.40 1.23 -1.72 0.00 0.00 179.24 178.52 3df7 h GLY 34 N 1.29 0.00 2.00 2.75 0.00 -1.09 -3.39 103.07 104.63 3df7 h GLY 34 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3df7 h GLY 34 CO 0.02 0.00 -0.04 0.74 0.00 0.00 0.00 176.54 177.26 3df7 h PHE 35 N -1.00 0.00 0.00 5.60 -1.00 -1.02 -2.86 116.94 116.66 3df7 h PHE 35 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 3df7 h PHE 35 Cb 0.50 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.06 3df7 h PHE 35 CO -0.06 0.04 0.00 0.36 -1.61 0.00 0.00 178.31 177.05 3df7 n LYS 36 N -3.22 0.15 0.00 1.51 2.85 -0.89 -0.51 118.16 118.05 3df7 n LYS 36 Ca -0.01 0.57 0.13 0.00 -1.05 0.00 0.00 58.31 57.95 3df7 n LYS 36 Cb 0.25 -1.92 0.37 0.00 -0.65 0.00 0.00 35.03 33.07 3df7 n LYS 36 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3df7 n ASN 37 N -2.22 0.41 0.00 -5.58 3.02 -1.08 -4.08 115.26 105.73 3df7 n ASN 37 Ca -0.00 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 3df7 n ASN 37 Cb 0.09 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 3df7 n ASN 37 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3df7 n TYR 38 N -1.42 0.00 -4.11 3.10 4.02 0.32 -5.08 117.16 113.99 3df7 n TYR 38 Ca 0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.87 3df7 n TYR 38 Cb 0.33 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.56 3df7 n TYR 38 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3df7 s TYR 39 N -1.97 0.73 -0.35 -0.72 1.51 0.33 -4.81 117.35 112.07 3df7 s TYR 39 Ca 0.00 -1.14 -0.19 0.00 -1.01 0.00 0.00 57.07 54.73 3df7 s TYR 39 Cb 0.00 -0.42 -0.00 0.00 -0.11 0.00 0.00 41.96 41.43 3df7 s TYR 39 CO 0.00 -0.50 0.54 -2.00 -1.11 0.00 0.00 175.55 172.47 3df7 s GLU 40 N -4.01 3.62 0.13 -0.62 2.12 -0.03 -4.27 118.70 115.64 3df7 s GLU 40 Ca 0.19 -0.13 -0.30 0.00 0.36 0.00 0.00 54.97 55.09 3df7 s GLU 40 Cb 0.07 -3.81 -0.07 0.00 0.26 0.00 0.00 34.13 30.58 3df7 s GLU 40 CO -0.01 -0.67 1.22 0.42 -0.54 0.00 0.00 175.26 175.68 3df7 s ILE 41 N 2.46 3.69 0.20 -3.70 -1.09 -1.26 -1.17 121.20 120.33 3df7 s ILE 41 Ca 0.20 1.32 0.10 0.00 -2.23 0.00 0.00 60.65 60.04 3df7 s ILE 41 Cb -0.15 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 3df7 s ILE 41 CO 0.14 0.16 -0.21 0.42 -1.23 0.00 0.00 174.94 174.22 3df7 s THR 42 N 0.47 2.16 -5.00 2.92 -4.23 0.16 -4.88 115.64 107.23 3df7 s THR 42 Ca 0.56 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 3df7 s THR 42 Cb -0.32 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.46 3df7 s THR 42 CO 0.33 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 3df7 n GLY 43 N 0.05 0.61 3.49 3.99 0.00 -1.26 -2.16 105.19 109.91 3df7 n GLY 43 Ca -0.11 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 3df7 n GLY 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3df7 s PHE 44 N -2.36 0.21 0.18 1.61 -0.12 -1.26 -4.17 117.98 112.07 3df7 s PHE 44 Ca 0.00 -0.57 0.03 0.00 -0.05 0.00 0.00 56.93 56.34 3df7 s PHE 44 Cb 0.00 0.18 -0.05 0.00 -0.63 0.00 0.00 43.02 42.52 3df7 s PHE 44 CO 0.00 -0.88 -0.03 0.14 -0.05 0.00 0.00 175.22 174.40 3df7 s VAL 45 N -3.95 0.93 0.73 -2.49 -7.23 -0.75 -4.68 120.40 102.96 3df7 s VAL 45 Ca 0.16 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.20 3df7 s VAL 45 Cb 0.00 -2.10 0.03 0.00 0.56 0.00 0.00 36.38 34.88 3df7 s VAL 45 CO 0.02 -0.52 1.09 -0.13 -0.31 0.00 0.00 175.10 175.25 3df7 s ARG 46 N -3.85 2.53 0.24 4.82 0.52 -0.34 -2.40 118.95 120.47 3df7 s ARG 46 Ca 0.23 1.19 -0.04 0.00 -0.52 0.00 0.00 55.73 56.58 3df7 s ARG 46 Cb 0.05 -1.93 0.44 0.00 0.52 0.00 0.00 34.95 34.03 3df7 s ARG 46 CO 0.04 -1.44 1.76 -1.35 0.02 0.00 0.00 175.30 174.34 3df7 h PRO 47 N -0.74 0.56 0.00 3.54 0.11 -1.90 -2.07 132.00 131.51 3df7 h PRO 47 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3df7 h PRO 47 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3df7 h PRO 47 CO 0.53 0.37 0.17 0.93 -0.21 0.00 0.00 178.00 179.80 3df7 h GLU 48 N 0.58 0.00 -0.11 1.05 3.07 -1.95 -1.34 114.58 115.88 3df7 h GLU 48 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 3df7 h GLU 48 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3df7 h GLU 48 CO -0.34 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 178.46 3df7 n PHE 49 N -2.74 0.27 0.18 4.33 3.72 -0.78 -4.71 117.46 117.73 3df7 n PHE 49 Ca -0.02 -0.78 0.13 0.00 -0.05 0.00 0.00 57.45 56.74 3df7 n PHE 49 Cb 0.22 -0.14 0.70 0.00 -0.94 0.00 0.00 39.48 39.32 3df7 n PHE 49 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3df7 h SER 50 N 0.68 0.00 0.74 4.37 4.64 -1.21 -1.76 113.55 121.01 3df7 h SER 50 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3df7 h SER 50 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3df7 h SER 50 CO 0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 175.88 3df7 n LEU 52 N -1.39 0.22 -4.11 0.00 4.77 -0.66 -4.99 117.00 110.84 3df7 n LEU 52 Ca 0.09 0.07 -0.16 0.00 -0.03 0.00 0.00 56.01 55.98 3df7 n LEU 52 Cb 0.32 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.27 3df7 n LEU 52 CO 0.28 -0.04 -0.43 -0.36 -1.33 0.00 0.00 177.39 175.50 3df7 s PHE 53 N -3.48 0.93 -1.17 -1.77 0.40 -1.24 -5.04 117.98 106.62 3df7 s PHE 53 Ca -0.06 -0.46 -0.07 0.00 -0.60 0.00 0.00 56.93 55.74 3df7 s PHE 53 Cb 0.13 -0.54 -0.01 0.00 0.51 0.00 0.00 43.02 43.11 3df7 s PHE 53 CO 0.88 -0.01 2.79 0.25 0.70 0.00 0.00 175.22 179.83 3df7 n THR 54 N 1.46 4.41 -4.11 0.64 -2.24 -1.26 -4.84 114.28 108.35 3df7 n THR 54 Ca -0.22 -3.19 -0.10 0.00 -2.27 0.00 0.00 64.05 58.27 3df7 n THR 54 Cb 0.54 -2.20 -0.10 0.00 -2.10 0.00 0.00 70.33 66.47 3df7 n THR 54 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3df7 s LEU 55 N -1.05 2.42 0.75 3.22 1.43 -1.26 -5.10 118.68 119.09 3df7 s LEU 55 Ca 0.62 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 3df7 s LEU 55 Cb 0.22 0.00 0.04 0.00 0.03 0.00 0.00 46.19 46.49 3df7 s LEU 55 CO -0.09 -0.43 1.08 -2.16 0.23 0.00 0.00 176.35 174.99 3df7 s PRO 56 N -3.14 2.50 -0.06 1.29 0.04 -1.26 -4.78 135.00 129.59 3df7 s PRO 56 Ca 0.03 0.71 -0.16 0.00 0.04 0.00 0.00 61.00 61.62 3df7 s PRO 56 Cb 0.01 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 3df7 s PRO 56 CO -0.05 -1.34 0.41 0.08 0.04 0.00 0.00 177.00 176.14 3df7 s VAL 57 N -3.16 5.12 0.23 -0.36 1.01 -1.26 -1.81 120.40 120.18 3df7 s VAL 57 Ca 0.59 0.83 -0.22 0.00 0.00 0.00 0.00 61.98 63.18 3df7 s VAL 57 Cb -0.14 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.55 3df7 s VAL 57 CO 0.54 0.47 0.83 -0.62 0.00 0.00 0.00 175.10 176.32 3df7 s ASP 58 N -0.27 -0.20 0.00 3.32 -1.08 -1.01 -4.88 116.67 112.55 3df7 s ASP 58 Ca 0.23 -0.56 0.00 0.00 -0.52 0.00 0.00 52.55 51.70 3df7 s ASP 58 Cb -0.16 0.63 0.00 0.00 -1.46 0.00 0.00 42.92 41.94 3df7 s ASP 58 CO 0.11 -1.18 0.00 -0.24 0.52 0.00 0.00 175.17 174.38 3df7 n SER 59 N -0.54 0.00 0.00 -0.34 2.88 -1.26 -4.48 113.62 109.88 3df7 n SER 59 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 3df7 n SER 59 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 3df7 n SER 59 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3df7 n ASP 61 N 0.00 0.00 -4.18 -3.46 10.43 -1.26 -5.01 116.55 113.07 3df7 n ASP 61 Ca 0.00 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 56.96 3df7 n ASP 61 Cb 0.00 -0.41 -0.08 0.00 1.84 0.00 0.00 41.12 42.47 3df7 n ASP 61 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3df7 s SER 62 N -0.63 5.71 0.00 -2.24 0.01 -1.26 -4.98 113.70 110.31 3df7 s SER 62 Ca 0.00 -2.57 0.00 0.00 1.31 0.00 0.00 55.95 54.69 3df7 s SER 62 Cb 0.00 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.26 3df7 s SER 62 CO 0.00 -0.50 0.00 -0.62 0.41 0.00 0.00 173.24 172.53 3df7 n GLU 64 N 3.97 0.00 0.01 12.44 4.71 -1.26 -3.87 120.64 136.64 3df7 n GLU 64 Ca 0.05 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.33 3df7 n GLU 64 Cb 0.41 -0.11 0.57 0.00 -1.01 0.00 0.00 31.44 31.30 3df7 n GLU 64 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3df7 h LYS 65 N 0.00 0.22 0.23 3.49 1.79 -1.99 -0.16 116.57 120.15 3df7 h LYS 65 Ca 0.00 -0.01 -0.34 0.00 -2.18 0.00 0.00 60.65 58.12 3df7 h LYS 65 Cb 0.00 -0.05 0.03 0.00 -1.58 0.00 0.00 32.23 30.63 3df7 h LYS 65 CO 0.00 0.15 -1.53 1.88 -1.08 0.00 0.00 179.45 178.86 3df7 h TYR 66 N 0.23 0.89 -0.52 -1.35 -1.99 -1.99 -3.31 116.97 108.93 3df7 h TYR 66 Ca 0.21 -0.65 -0.02 0.00 2.00 0.00 0.00 58.73 60.27 3df7 h TYR 66 Cb 0.54 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 39.21 3df7 h TYR 66 CO -0.00 1.59 0.23 -0.07 -0.00 0.00 0.00 178.16 179.91 3df7 h LEU 67 N 0.11 0.66 -2.25 3.88 3.38 -1.69 -2.05 115.31 117.35 3df7 h LEU 67 Ca -0.28 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3df7 h LEU 67 Cb 2.13 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.71 3df7 h LEU 67 CO 0.24 0.58 -0.01 -0.33 0.09 0.00 0.00 178.44 179.01 3df7 h GLU 68 N 0.73 0.00 -0.31 1.13 5.08 -1.15 -2.58 114.58 117.48 3df7 h GLU 68 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3df7 h GLU 68 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3df7 h GLU 68 CO -0.02 0.01 0.00 1.63 -1.00 0.00 0.00 179.01 179.63 3df7 n LYS 69 N -3.13 2.89 -4.13 2.33 4.76 -0.79 -5.02 118.16 115.06 3df7 n LYS 69 Ca -0.01 -2.21 -0.25 0.00 -2.87 0.00 0.00 58.31 52.97 3df7 n LYS 69 Cb 0.19 -1.39 -0.06 0.00 -1.84 0.00 0.00 35.03 31.93 3df7 n LYS 69 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3df7 s SER 70 N -1.21 5.28 -0.05 4.39 0.01 -0.97 -4.88 113.70 116.27 3df7 s SER 70 Ca 0.27 -0.24 0.21 0.00 1.31 0.00 0.00 55.95 57.49 3df7 s SER 70 Cb 0.17 -1.30 -0.29 0.00 0.21 0.00 0.00 66.02 64.81 3df7 s SER 70 CO 0.14 0.05 0.43 0.47 0.41 0.00 0.00 173.24 174.74 3df7 n ASP 71 N -0.46 0.08 -3.83 2.44 8.00 0.24 -4.75 116.55 118.26 3df7 n ASP 71 Ca -0.08 0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.36 3df7 n ASP 71 Cb 0.56 1.61 -0.04 0.00 -0.02 0.00 0.00 41.12 43.22 3df7 n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3df7 s ALA 72 N -3.25 -0.69 0.06 2.24 0.00 -0.66 -2.75 121.76 116.70 3df7 s ALA 72 Ca -0.08 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.36 3df7 s ALA 72 Cb 0.12 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 24.13 3df7 s ALA 72 CO 0.88 -0.82 0.14 -0.59 0.00 0.00 0.00 175.76 175.37 3df7 s PHE 73 N -3.92 0.20 -0.15 0.00 -0.12 0.03 -0.50 117.98 113.51 3df7 s PHE 73 Ca 0.13 -0.57 -0.04 0.00 -0.05 0.00 0.00 56.93 56.40 3df7 s PHE 73 Cb -0.01 -0.12 0.07 0.00 -0.63 0.00 0.00 43.02 42.33 3df7 s PHE 73 CO 0.01 -0.45 0.19 -1.17 -0.05 0.00 0.00 175.22 173.75 3df7 s LEU 74 N -2.54 -0.08 -0.18 -1.99 2.96 -0.39 -1.49 118.68 114.98 3df7 s LEU 74 Ca 0.01 0.00 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 3df7 s LEU 74 Cb 0.03 0.32 -0.02 0.00 0.50 0.00 0.00 46.19 47.02 3df7 s LEU 74 CO -0.08 -0.29 -0.03 -0.63 -1.32 0.00 0.00 176.35 173.99 3df7 s ILE 75 N 2.31 3.75 -0.23 6.68 1.01 -1.26 -1.99 121.20 131.47 3df7 s ILE 75 Ca 0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3df7 s ILE 75 Cb -0.14 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.68 3df7 s ILE 75 CO -0.09 0.46 -0.10 -0.63 0.00 0.00 0.00 174.94 174.58 3df7 s ILE 76 N 0.78 2.68 0.11 2.92 1.01 0.56 -4.83 121.20 124.43 3df7 s ILE 76 Ca -0.01 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.43 3df7 s ILE 76 Cb -0.14 -2.30 0.07 0.00 0.01 0.00 0.00 42.46 40.10 3df7 s ILE 76 CO 0.02 0.31 0.62 0.00 0.00 0.00 0.00 174.94 175.88 3df7 s ALA 77 N 1.32 -1.63 0.53 9.38 0.00 -1.26 -0.81 121.76 129.30 3df7 s ALA 77 Ca 0.02 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.44 3df7 s ALA 77 Cb -0.16 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.59 3df7 s ALA 77 CO -0.07 -0.67 1.26 -1.25 0.00 0.00 0.00 175.76 175.03 3df7 s PRO 78 N -3.14 3.27 0.43 0.00 0.04 -1.26 -4.56 135.00 129.77 3df7 s PRO 78 Ca -0.02 1.99 0.23 0.00 0.04 0.00 0.00 61.00 63.24 3df7 s PRO 78 Cb -0.01 -2.21 0.88 0.00 0.04 0.00 0.00 34.50 33.20 3df7 s PRO 78 CO -0.08 -1.01 1.81 0.93 0.04 0.00 0.00 177.00 178.70 3df7 h GLU 79 N 1.47 0.00 -4.04 4.56 3.07 -1.95 -1.70 114.58 115.99 3df7 h GLU 79 Ca -0.50 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 57.82 3df7 h GLU 79 Cb 1.28 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 29.22 3df7 h GLU 79 CO 0.57 0.26 0.11 -0.25 -1.40 0.00 0.00 179.01 178.30 3df7 n ASP 80 N -3.46 0.12 -2.90 1.42 9.92 -1.26 -0.54 116.55 119.85 3df7 n ASP 80 Ca -0.00 0.78 -0.17 0.00 -0.53 0.00 0.00 54.79 54.88 3df7 n ASP 80 Cb 0.44 -0.61 -0.00 0.00 -0.64 0.00 0.00 41.12 40.30 3df7 n ASP 80 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3df7 n ASP 81 N 1.27 -3.52 -2.25 -2.24 8.00 -1.26 -1.25 116.55 115.30 3df7 n ASP 81 Ca 0.15 -0.07 -0.20 0.00 0.71 0.00 0.00 54.79 55.38 3df7 n ASP 81 Cb 0.04 -2.97 -0.01 0.00 -0.02 0.00 0.00 41.12 38.16 3df7 n ASP 81 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3df7 n PHE 82 N -3.57 -0.90 0.10 1.24 3.72 0.30 -4.92 117.46 113.43 3df7 n PHE 82 Ca -0.07 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.20 3df7 n PHE 82 Cb 0.57 -3.84 -0.08 0.00 -0.94 0.00 0.00 39.48 35.19 3df7 n PHE 82 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3df7 h LEU 83 N 0.00 -0.20 -0.83 4.37 5.85 -1.09 -0.66 115.31 122.76 3df7 h LEU 83 Ca -0.47 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.09 3df7 h LEU 83 Cb 1.35 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.37 3df7 h LEU 83 CO 0.57 0.12 0.50 0.25 -0.34 0.00 0.00 178.44 179.54 3df7 h LEU 84 N -0.54 0.78 0.40 2.25 5.85 -1.50 -1.18 115.31 121.38 3df7 h LEU 84 Ca -0.02 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3df7 h LEU 84 Cb 0.41 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3df7 h LEU 84 CO 0.04 0.49 -0.27 0.22 -0.34 0.00 0.00 178.44 178.58 3df7 h TYR 85 N 0.91 -0.72 -0.81 1.25 3.20 -1.82 -1.44 116.97 117.54 3df7 h TYR 85 Ca 0.37 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 3df7 h TYR 85 Cb 0.20 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 3df7 h TYR 85 CO -0.04 -0.41 0.34 1.79 -1.64 0.00 0.00 178.16 178.19 3df7 h THR 86 N -0.66 1.26 -0.46 1.81 1.35 -0.78 -0.13 112.91 115.30 3df7 h THR 86 Ca -0.04 -0.81 -0.04 0.00 -0.55 0.00 0.00 66.41 64.97 3df7 h THR 86 Cb 0.55 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 67.23 3df7 h THR 86 CO 0.03 0.33 0.12 -0.07 -0.25 0.00 0.00 175.52 175.68 3df7 h LEU 87 N 1.17 0.70 -0.31 3.87 3.38 -1.18 -1.78 115.31 121.16 3df7 h LEU 87 Ca 0.27 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3df7 h LEU 87 Cb 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3df7 h LEU 87 CO -0.02 0.74 -0.03 0.74 0.09 0.00 0.00 178.44 179.95 3df7 h THR 88 N 0.62 1.27 -0.82 0.22 2.02 -1.01 -1.67 112.91 113.53 3df7 h THR 88 Ca 0.15 -1.03 0.05 0.00 0.77 0.00 0.00 66.41 66.34 3df7 h THR 88 Cb 0.32 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 3df7 h THR 88 CO 0.00 0.33 0.54 0.50 0.37 0.00 0.00 175.52 177.26 3df7 h LYS 89 N 0.36 0.92 -0.22 6.66 3.64 -0.92 0.43 116.57 127.44 3df7 h LYS 89 Ca 0.08 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 3df7 h LYS 89 Cb 0.50 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3df7 h LYS 89 CO 0.02 0.61 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.51 3df7 h LYS 90 N 0.95 0.45 -0.50 1.90 3.64 -1.12 -3.21 116.57 118.67 3df7 h LYS 90 Ca 0.34 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 3df7 h LYS 90 Cb 0.13 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3df7 h LYS 90 CO -0.11 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 177.78 3df7 h ALA 91 N 0.73 1.06 -0.67 5.00 0.00 -0.55 -3.01 119.26 121.82 3df7 h ALA 91 Ca 0.05 -0.27 0.19 0.00 0.00 0.00 0.00 54.91 54.88 3df7 h ALA 91 Cb 0.56 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3df7 h ALA 91 CO 0.03 0.59 0.54 0.93 0.00 0.00 0.00 179.25 181.34 3df7 h GLU 92 N 0.79 0.00 0.00 0.00 5.08 -0.94 0.13 114.58 119.63 3df7 h GLU 92 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3df7 h GLU 92 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3df7 h GLU 92 CO 0.02 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.20 3df7 n LYS 93 N -4.07 0.02 -0.06 2.33 3.00 -1.13 -4.18 118.16 114.06 3df7 n LYS 93 Ca 0.13 0.26 -0.12 0.00 -0.00 0.00 0.00 58.31 58.59 3df7 n LYS 93 Cb 0.80 -1.54 -0.04 0.00 0.00 0.00 0.00 35.03 34.24 3df7 n LYS 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3df7 n TYR 94 N -1.59 0.00 -3.95 5.64 4.02 0.44 -5.13 117.16 116.59 3df7 n TYR 94 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.81 3df7 n TYR 94 Cb 0.18 -0.46 -0.03 0.00 -0.02 0.00 0.00 39.34 39.01 3df7 n TYR 94 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3df7 n GLU 96 N -0.42 1.98 -3.73 0.00 2.13 -1.11 -4.67 120.64 114.81 3df7 n GLU 96 Ca 0.01 0.70 -0.37 0.00 0.66 0.00 0.00 57.16 58.17 3df7 n GLU 96 Cb 0.42 -2.41 -0.12 0.00 0.27 0.00 0.00 31.44 29.60 3df7 n GLU 96 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3df7 s ASN 97 N -0.52 5.29 0.00 4.31 3.84 -1.26 -0.79 114.94 125.81 3df7 s ASN 97 Ca 0.61 -0.17 0.28 0.00 0.21 0.00 0.00 52.86 53.79 3df7 s ASN 97 Cb -0.50 -1.96 1.07 0.00 -0.55 0.00 0.00 41.25 39.31 3df7 s ASN 97 CO 0.58 -0.03 1.78 0.18 -2.79 0.00 0.00 177.10 176.82 3df7 n LEU 98 N 4.91 0.32 0.00 3.21 4.77 -0.55 -4.86 117.00 124.79 3df7 n LEU 98 Ca -0.16 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3df7 n LEU 98 Cb 0.52 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3df7 n LEU 98 CO 0.31 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3df7 n GLY 99 N 1.40 4.31 3.84 -0.72 0.00 -1.26 -4.07 105.19 108.69 3df7 n GLY 99 Ca 0.10 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 3df7 n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3df7 s SER 100 N -0.31 6.54 0.63 1.61 0.01 -1.00 -4.34 113.70 116.83 3df7 s SER 100 Ca 0.00 1.59 -0.16 0.00 1.31 0.00 0.00 55.95 58.69 3df7 s SER 100 Cb 0.00 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 3df7 s SER 100 CO 0.00 -0.65 1.12 -0.94 0.41 0.00 0.00 173.24 173.18 3df7 s SER 101 N -3.05 5.22 0.44 2.44 1.04 -0.51 -4.86 113.70 114.43 3df7 s SER 101 Ca 0.59 2.07 0.12 0.00 0.48 0.00 0.00 55.95 59.21 3df7 s SER 101 Cb -0.11 -2.56 0.99 0.00 0.10 0.00 0.00 66.02 64.45 3df7 s SER 101 CO 0.32 -1.55 2.03 0.77 0.98 0.00 0.00 173.24 175.78 3df7 h SER 102 N 0.32 0.15 -0.14 7.02 4.64 -1.89 -1.33 113.55 122.33 3df7 h SER 102 Ca -0.48 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 60.84 3df7 h SER 102 Cb 1.25 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3df7 h SER 102 CO 0.55 0.22 0.03 -0.09 -0.87 0.00 0.00 176.83 176.66 3df7 h ARG 103 N 0.17 0.09 -0.52 4.77 2.43 -1.93 -0.10 114.38 119.29 3df7 h ARG 103 Ca 0.04 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3df7 h ARG 103 Cb 0.17 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3df7 h ARG 103 CO 0.01 0.06 -0.14 0.00 -1.51 0.00 0.00 179.97 178.38 3df7 h ALA 104 N 1.10 0.77 -0.10 2.80 0.00 -1.57 -3.01 119.26 119.24 3df7 h ALA 104 Ca 0.06 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3df7 h ALA 104 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3df7 h ALA 104 CO -0.08 0.67 -0.19 0.82 0.00 0.00 0.00 179.25 180.47 3df7 h ILE 105 N 0.88 1.19 -0.20 0.00 2.04 -0.94 -1.82 117.51 118.66 3df7 h ILE 105 Ca 0.13 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3df7 h ILE 105 Cb 0.70 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3df7 h ILE 105 CO 0.05 0.26 -0.06 0.00 0.00 0.00 0.00 178.15 178.41 3df7 h ALA 106 N 1.65 1.54 0.03 1.87 0.00 -0.88 0.02 119.26 123.49 3df7 h ALA 106 Ca 0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3df7 h ALA 106 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3df7 h ALA 106 CO 0.03 0.33 -0.19 0.28 0.00 0.00 0.00 179.25 179.70 3df7 h VAL 107 N 0.29 1.71 0.00 0.00 2.07 -1.41 -3.31 116.25 115.60 3df7 h VAL 107 Ca 0.06 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 3df7 h VAL 107 Cb 0.30 3.27 -0.00 0.00 -1.52 0.00 0.00 31.29 33.34 3df7 h VAL 107 CO 0.01 0.62 -0.03 0.71 0.02 0.00 0.00 177.57 178.90 3df7 h THR 108 N -0.81 0.08 0.00 2.57 1.35 -1.26 -2.90 112.91 111.94 3df7 h THR 108 Ca -0.03 -0.52 -0.07 0.00 -0.55 0.00 0.00 66.41 65.24 3df7 h THR 108 Cb 1.12 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 3df7 h THR 108 CO 0.04 0.03 -0.33 0.28 -0.25 0.00 0.00 175.52 175.28 3df7 h SER 109 N 0.00 0.00 -3.56 5.36 0.02 -1.09 -3.41 113.55 110.86 3df7 h SER 109 Ca -0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 3df7 h SER 109 Cb 0.47 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.72 3df7 h SER 109 CO 0.00 0.33 -0.54 -0.62 -1.14 0.00 0.00 176.83 174.86 3df7 s ASP 110 N -6.33 5.44 0.50 3.07 -1.08 -1.10 -4.08 116.67 113.10 3df7 s ASP 110 Ca 0.03 -1.40 0.20 0.00 -0.52 0.00 0.00 52.55 50.86 3df7 s ASP 110 Cb 0.08 -1.91 1.27 0.00 -1.46 0.00 0.00 42.92 40.90 3df7 s ASP 110 CO 0.69 -0.44 2.04 0.11 0.52 0.00 0.00 175.17 178.10 3df7 h LYS 111 N 8.27 0.10 -0.24 4.34 1.57 -0.99 0.13 116.57 129.74 3df7 h LYS 111 Ca -0.22 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.42 3df7 h LYS 111 Cb 1.08 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 3df7 h LYS 111 CO 0.68 0.06 -0.37 2.35 -0.57 0.00 0.00 179.45 181.60 3df7 h TRP 112 N 0.10 0.84 -0.47 -1.35 2.91 -1.91 -0.21 115.95 115.86 3df7 h TRP 112 Ca 0.18 -0.28 -0.12 0.00 1.13 0.00 0.00 58.89 59.80 3df7 h TRP 112 Cb 0.59 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.05 3df7 h TRP 112 CO -0.00 1.05 -0.17 0.93 -1.03 0.00 0.00 178.44 179.22 3df7 h GLU 113 N 0.40 0.91 -0.70 2.65 4.39 -1.53 -2.49 114.58 118.21 3df7 h GLU 113 Ca 0.02 -0.35 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 3df7 h GLU 113 Cb 0.96 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 3df7 h GLU 113 CO 0.09 1.00 0.18 1.25 -1.16 0.00 0.00 179.01 180.37 3df7 h LEU 114 N 0.80 1.05 -0.13 1.33 5.85 -0.70 -1.32 115.31 122.20 3df7 h LEU 114 Ca 0.12 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3df7 h LEU 114 Cb 0.71 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3df7 h LEU 114 CO 0.05 1.00 -0.04 0.22 -0.34 0.00 0.00 178.44 179.34 3df7 h TYR 115 N 1.04 -0.08 -0.09 1.25 3.20 -0.80 -0.31 116.97 121.18 3df7 h TYR 115 Ca 0.22 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 3df7 h TYR 115 Cb 0.36 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3df7 h TYR 115 CO 0.03 -0.06 -0.17 0.87 -1.64 0.00 0.00 178.16 177.18 3df7 h LYS 116 N -0.01 0.14 -0.29 1.82 1.57 -1.23 -0.07 116.57 118.50 3df7 h LYS 116 Ca 0.06 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 3df7 h LYS 116 Cb 0.10 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3df7 h LYS 116 CO -0.13 0.32 -0.54 -0.22 -0.57 0.00 0.00 179.45 178.31 3df7 h LYS 117 N 0.14 0.88 0.03 3.15 1.63 -0.56 -3.37 116.57 118.47 3df7 h LYS 117 Ca 0.03 -0.56 -0.31 0.00 -0.85 0.00 0.00 60.65 58.96 3df7 h LYS 117 Cb 0.39 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 3df7 h LYS 117 CO 0.03 1.19 -1.82 1.28 -3.45 0.00 0.00 179.45 176.68 3df7 n LEU 118 N -4.02 1.26 -0.37 5.20 4.77 -0.19 -4.63 117.00 119.03 3df7 n LEU 118 Ca -0.04 0.34 0.34 0.00 -0.03 0.00 0.00 56.01 56.62 3df7 n LEU 118 Cb 0.62 -0.12 0.62 0.00 -2.33 0.00 0.00 43.42 42.20 3df7 n LEU 118 CO 0.50 0.51 1.12 0.08 -1.33 0.00 0.00 177.39 178.27 3df7 h ARG 119 N 0.02 0.01 -0.30 3.23 0.11 -1.17 0.36 114.38 116.64 3df7 h ARG 119 Ca -0.33 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 3df7 h ARG 119 Cb 2.03 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.11 3df7 h ARG 119 CO 0.08 0.01 0.00 0.41 0.10 0.00 0.00 179.97 180.57 3df7 n GLY 120 N -1.35 1.14 0.00 0.08 0.00 -1.26 -4.34 105.19 99.46 3df7 n GLY 120 Ca 0.39 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3df7 n GLY 120 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3df7 n GLU 121 N 1.02 0.54 -3.57 1.61 -0.58 0.12 -5.08 120.64 114.70 3df7 n GLU 121 Ca 0.18 -0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.79 3df7 n GLU 121 Cb 0.49 -1.02 -0.04 0.00 -0.57 0.00 0.00 31.44 30.30 3df7 n GLU 121 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3df7 s VAL 122 N -2.05 0.04 -0.01 2.62 0.11 -0.66 -4.87 120.40 115.57 3df7 s VAL 122 Ca -0.00 -0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 58.44 3df7 s VAL 122 Cb 0.00 -1.04 -0.06 0.00 -1.53 0.00 0.00 36.38 33.76 3df7 s VAL 122 CO 0.03 -0.17 1.55 -1.58 -3.33 0.00 0.00 175.10 171.60 3df7 s GLN 123 N -3.12 4.22 0.12 1.54 2.00 -1.26 -4.44 119.66 118.72 3df7 s GLN 123 Ca -0.02 2.12 0.03 0.00 -2.00 0.00 0.00 55.36 55.50 3df7 s GLN 123 Cb 0.00 -3.73 -0.04 0.00 0.80 0.00 0.00 33.01 30.03 3df7 s GLN 123 CO -0.07 -0.72 -0.09 0.14 -0.50 0.00 0.00 175.29 174.05 3df7 s VAL 124 N 3.10 0.94 0.62 1.34 -7.23 -1.26 -0.87 120.40 117.03 3df7 s VAL 124 Ca 0.69 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.76 3df7 s VAL 124 Cb -0.34 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 3df7 s VAL 124 CO 0.28 -0.78 1.04 -2.16 -0.31 0.00 0.00 175.10 173.17 3df7 s PRO 125 N -3.69 3.36 0.25 4.82 0.04 -1.26 -4.94 135.00 133.58 3df7 s PRO 125 Ca 0.13 0.99 -0.31 0.00 0.04 0.00 0.00 61.00 61.86 3df7 s PRO 125 Cb 0.03 -2.05 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 3df7 s PRO 125 CO -0.02 -0.76 1.44 1.04 0.04 0.00 0.00 177.00 178.74 3df7 n GLN 126 N -2.45 2.17 -4.12 4.56 6.02 -1.26 -4.76 117.38 117.54 3df7 n GLN 126 Ca 0.07 0.77 -0.15 0.00 -0.01 0.00 0.00 57.00 57.69 3df7 n GLN 126 Cb 0.53 -2.45 -0.13 0.00 1.02 0.00 0.00 30.24 29.21 3df7 n GLN 126 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3df7 s THR 127 N -0.06 0.44 0.26 5.09 2.01 -1.26 -0.61 115.64 121.51 3df7 s THR 127 Ca 0.67 -0.49 -0.14 0.00 0.31 0.00 0.00 61.69 62.04 3df7 s THR 127 Cb -0.62 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 71.47 3df7 s THR 127 CO 0.50 -0.05 0.53 -0.55 -0.69 0.00 0.00 174.62 174.36 3df7 s SER 128 N -0.59 -0.10 0.00 3.53 0.15 -0.04 -4.99 113.70 111.66 3df7 s SER 128 Ca -0.02 -0.88 0.24 0.00 0.70 0.00 0.00 55.95 55.99 3df7 s SER 128 Cb -0.05 0.62 0.27 0.00 -1.71 0.00 0.00 66.02 65.16 3df7 s SER 128 CO -0.00 -1.19 1.31 0.18 1.20 0.00 0.00 173.24 174.74 3df7 n LEU 129 N -0.40 2.97 -4.26 3.45 4.77 -1.26 0.12 117.00 122.39 3df7 n LEU 129 Ca -0.02 -1.03 -0.14 0.00 -0.03 0.00 0.00 56.01 54.79 3df7 n LEU 129 Cb 0.61 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.57 3df7 n LEU 129 CO 0.21 0.52 -0.29 -0.13 -1.33 0.00 0.00 177.39 176.37 3df7 s ARG 130 N -1.93 1.22 0.42 3.23 0.52 -1.26 -4.81 118.95 116.34 3df7 s ARG 130 Ca 0.30 -1.62 -0.24 0.00 -0.52 0.00 0.00 55.73 53.65 3df7 s ARG 130 Cb 0.20 -0.16 -0.11 0.00 0.52 0.00 0.00 34.95 35.41 3df7 s ARG 130 CO 0.30 -0.23 0.88 -2.30 0.02 0.00 0.00 175.30 173.97 3df7 n PRO 131 N -0.32 1.09 -4.05 3.54 -0.02 -1.26 -4.58 135.00 129.40 3df7 n PRO 131 Ca -0.03 0.39 -0.23 0.00 -2.02 0.00 0.00 63.50 61.62 3df7 n PRO 131 Cb 0.65 -1.88 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 3df7 n PRO 131 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3df7 s LEU 132 N 0.09 3.99 0.16 2.45 1.43 -1.26 -5.02 118.68 120.52 3df7 s LEU 132 Ca 0.64 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 3df7 s LEU 132 Cb -0.57 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 3df7 s LEU 132 CO 0.57 -0.01 1.37 0.44 0.23 0.00 0.00 176.35 178.94 3df7 h ASP 133 N 1.67 0.22 -4.43 2.29 3.32 -2.03 -3.45 116.42 114.01 3df7 h ASP 133 Ca -0.49 -0.18 -0.50 0.00 0.02 0.00 0.00 57.03 55.88 3df7 h ASP 133 Cb 1.22 -0.07 0.07 0.00 0.22 0.00 0.00 39.33 40.78 3df7 h ASP 133 CO 0.62 1.00 0.41 0.00 -1.72 0.00 0.00 179.24 179.55 3df7 n LYS 135 N -2.95 2.39 -4.06 0.00 4.81 -1.26 -4.92 118.16 112.17 3df7 n LYS 135 Ca 0.07 0.87 -0.09 0.00 -0.87 0.00 0.00 58.31 58.28 3df7 n LYS 135 Cb 0.56 -2.69 -0.09 0.00 0.02 0.00 0.00 35.03 32.83 3df7 n LYS 135 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 3df7 s PHE 136 N 2.11 0.62 0.21 5.64 -0.12 -1.26 -1.06 117.98 124.12 3df7 s PHE 136 Ca 0.82 -1.02 0.07 0.00 -0.05 0.00 0.00 56.93 56.75 3df7 s PHE 136 Cb -0.61 -0.30 -0.05 0.00 -0.63 0.00 0.00 43.02 41.43 3df7 s PHE 136 CO 0.40 -0.57 -0.12 0.96 -0.05 0.00 0.00 175.22 175.84 3df7 s ILE 137 N -4.00 1.60 0.16 -4.49 -4.36 -0.50 -4.64 121.20 104.97 3df7 s ILE 137 Ca 0.19 -2.17 0.06 0.00 -0.26 0.00 0.00 60.65 58.47 3df7 s ILE 137 Cb 0.06 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 3df7 s ILE 137 CO -0.01 -0.56 0.06 0.27 0.24 0.00 0.00 174.94 174.94 3df7 s ILE 138 N -3.05 4.09 -0.07 8.37 -4.36 0.33 -1.22 121.20 125.28 3df7 s ILE 138 Ca 0.23 -1.21 -0.24 0.00 -0.26 0.00 0.00 60.65 59.17 3df7 s ILE 138 Cb 0.01 -3.05 0.05 0.00 1.25 0.00 0.00 42.46 40.72 3df7 s ILE 138 CO 0.07 -0.07 0.54 -1.59 0.24 0.00 0.00 174.94 174.13 3df7 s LYS 139 N -2.91 0.86 0.40 0.37 -2.85 -0.94 -2.19 119.74 112.49 3df7 s LYS 139 Ca 0.29 0.22 -0.27 0.00 -1.00 0.00 0.00 55.97 55.21 3df7 s LYS 139 Cb -0.10 0.40 -0.10 0.00 -2.06 0.00 0.00 37.83 35.97 3df7 s LYS 139 CO 0.21 -0.24 1.44 -2.30 0.10 0.00 0.00 175.35 174.56 3df7 n PRO 140 N 1.38 2.43 -0.08 1.78 -0.02 -1.26 -1.09 135.00 138.14 3df7 n PRO 140 Ca -0.19 0.86 0.07 0.00 -2.02 0.00 0.00 63.50 62.22 3df7 n PRO 140 Cb 0.56 -2.61 0.43 0.00 -0.02 0.00 0.00 33.50 31.86 3df7 n PRO 140 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3df7 h ARG 141 N 2.62 0.55 -4.47 -0.52 3.08 -1.11 -3.38 114.38 111.16 3df7 h ARG 141 Ca -0.50 -0.03 -0.58 0.00 0.07 0.00 0.00 59.98 58.94 3df7 h ARG 141 Cb 1.26 -0.12 -0.37 0.00 0.08 0.00 0.00 29.97 30.82 3df7 h ARG 141 CO 0.62 0.37 -0.82 0.95 -1.07 0.00 0.00 179.97 180.02 3df7 s THR 142 N -5.52 1.36 0.00 2.04 -4.23 -1.26 -0.45 115.64 107.59 3df7 s THR 142 Ca -0.09 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 3df7 s THR 142 Cb 0.19 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.68 3df7 s THR 142 CO 0.75 0.37 0.00 0.00 -0.54 0.00 0.00 174.62 175.19 3df7 n ALA 143 N 4.83 0.00 1.96 3.99 0.00 -1.26 -4.36 120.51 125.67 3df7 n ALA 143 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3df7 n ALA 143 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 3df7 n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df7 n ILE 149 N -0.47 0.00 -0.17 0.00 5.41 -1.26 -5.07 119.36 117.81 3df7 n ILE 149 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 3df7 n ILE 149 Cb 0.01 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.94 3df7 n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3df7 n GLY 150 N -1.77 -2.56 3.78 7.39 0.00 -0.93 -4.87 105.19 106.22 3df7 n GLY 150 Ca 0.00 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 3df7 n GLY 150 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3df7 s PHE 151 N -2.04 3.34 -0.28 1.61 0.08 -1.26 -0.52 117.98 118.92 3df7 s PHE 151 Ca 0.00 1.66 -0.23 0.00 0.12 0.00 0.00 56.93 58.48 3df7 s PHE 151 Cb 0.00 -3.15 0.10 0.00 -0.57 0.00 0.00 43.02 39.39 3df7 s PHE 151 CO 0.00 -0.58 0.85 0.45 -0.10 0.00 0.00 175.22 175.84 3df7 s SER 152 N -1.43 -0.64 0.24 1.36 0.15 -1.26 -4.89 113.70 107.23 3df7 s SER 152 Ca 0.55 1.19 0.04 0.00 0.70 0.00 0.00 55.95 58.43 3df7 s SER 152 Cb -0.24 1.22 0.25 0.00 -1.71 0.00 0.00 66.02 65.55 3df7 s SER 152 CO 0.30 -0.20 1.57 0.44 1.20 0.00 0.00 173.24 176.55 3df7 h ASP 153 N 4.99 0.30 -2.06 5.45 5.19 -1.97 -3.45 116.42 124.87 3df7 h ASP 153 Ca -0.29 -0.17 -0.58 0.00 -0.62 0.00 0.00 57.03 55.37 3df7 h ASP 153 Cb 1.18 -0.09 -0.11 0.00 0.18 0.00 0.00 39.33 40.49 3df7 h ASP 153 CO 0.09 0.82 -0.65 -1.61 -3.12 0.00 0.00 179.24 174.77 3df7 s GLU 154 N -3.81 2.05 -0.37 3.56 0.41 -1.26 -4.80 118.70 114.48 3df7 s GLU 154 Ca -0.04 -1.66 -0.09 0.00 -0.41 0.00 0.00 54.97 52.77 3df7 s GLU 154 Cb 0.12 -1.96 0.04 0.00 -1.78 0.00 0.00 34.13 30.55 3df7 s GLU 154 CO 0.80 0.24 0.18 0.08 -0.49 0.00 0.00 175.26 176.07 3df7 s VAL 155 N -2.46 4.21 0.74 2.63 1.01 -1.26 -4.98 120.40 120.28 3df7 s VAL 155 Ca 0.33 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 3df7 s VAL 155 Cb -0.03 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.98 3df7 s VAL 155 CO 0.19 -0.28 1.11 -2.16 0.00 0.00 0.00 175.10 173.95 3df7 s PRO 156 N 1.47 2.36 0.24 2.72 0.04 -1.26 -4.91 135.00 135.67 3df7 s PRO 156 Ca 0.01 1.29 -0.31 0.00 0.04 0.00 0.00 61.00 62.03 3df7 s PRO 156 Cb -0.20 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.31 3df7 s PRO 156 CO 0.04 -1.58 1.55 -0.25 0.04 0.00 0.00 177.00 176.81 3df7 n ASP 157 N -3.15 3.41 0.00 6.66 9.92 -1.26 -1.65 116.55 130.48 3df7 n ASP 157 Ca 0.10 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.48 3df7 n ASP 157 Cb 0.52 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 3df7 n ASP 157 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3df7 n GLY 158 N 2.62 0.74 3.69 0.44 0.00 -1.26 -5.05 105.19 106.37 3df7 n GLY 158 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3df7 n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3df7 s HIS 159 N -2.59 2.61 0.22 1.61 3.76 -0.66 -0.52 115.29 119.72 3df7 s HIS 159 Ca 0.00 -0.47 0.09 0.00 -0.15 0.00 0.00 55.06 54.53 3df7 s HIS 159 Cb 0.00 -1.67 -0.05 0.00 1.11 0.00 0.00 32.58 31.98 3df7 s HIS 159 CO 0.00 0.36 -0.17 0.96 -0.85 0.00 0.00 174.74 175.04 3df7 s ILE 160 N -2.52 1.97 -0.12 0.60 -4.36 -0.25 -4.77 121.20 111.75 3df7 s ILE 160 Ca 0.37 -2.23 -0.04 0.00 -0.26 0.00 0.00 60.65 58.50 3df7 s ILE 160 Cb 0.01 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 3df7 s ILE 160 CO 0.21 -0.50 0.03 0.00 0.24 0.00 0.00 174.94 174.92 3df7 s ALA 161 N -2.70 3.37 -0.08 2.27 0.00 0.12 -2.22 121.76 122.51 3df7 s ALA 161 Ca 0.24 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 3df7 s ALA 161 Cb -0.03 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 21.49 3df7 s ALA 161 CO 0.09 0.48 0.17 -1.14 0.00 0.00 0.00 175.76 175.36 3df7 s GLN 162 N -0.53 0.11 0.16 0.00 0.74 -0.36 -0.86 119.66 118.92 3df7 s GLN 162 Ca 0.10 0.43 -0.33 0.00 0.05 0.00 0.00 55.36 55.60 3df7 s GLN 162 Cb -0.12 -0.17 -0.16 0.00 1.10 0.00 0.00 33.01 33.66 3df7 s GLN 162 CO 0.02 -0.18 1.21 -1.91 -0.55 0.00 0.00 175.29 173.88 3df7 n GLU 163 N 4.32 1.22 -2.87 1.67 2.13 0.22 -1.41 120.64 125.93 3df7 n GLU 163 Ca -0.24 0.44 -0.41 0.00 0.66 0.00 0.00 57.16 57.60 3df7 n GLU 163 Cb 0.52 -1.97 -0.04 0.00 0.27 0.00 0.00 31.44 30.22 3df7 n GLU 163 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3df7 s PHE 164 N -0.06 3.46 -0.25 4.31 5.36 -0.22 -4.77 117.98 125.80 3df7 s PHE 164 Ca 0.75 1.33 -0.09 0.00 -0.96 0.00 0.00 56.93 57.95 3df7 s PHE 164 Cb -0.85 -3.03 -0.04 0.00 -0.34 0.00 0.00 43.02 38.76 3df7 s PHE 164 CO 0.51 -0.20 0.12 0.42 -1.46 0.00 0.00 175.22 174.62 3df7 s ILE 165 N 1.95 4.83 -0.25 3.12 -1.09 -1.26 -4.94 121.20 123.56 3df7 s ILE 165 Ca 0.40 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.65 3df7 s ILE 165 Cb -0.17 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 3df7 s ILE 165 CO 0.14 0.32 0.49 -0.70 -1.23 0.00 0.00 174.94 173.96 3df7 s GLU 166 N 1.49 4.09 0.00 2.79 2.12 -1.26 -4.97 118.70 122.96 3df7 s GLU 166 Ca 0.06 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.68 3df7 s GLU 166 Cb -0.15 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.61 3df7 s GLU 166 CO 0.06 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 3df7 n GLY 167 N 4.30 -0.70 3.68 -1.50 0.00 -1.26 -4.31 105.19 105.40 3df7 n GLY 167 Ca -0.05 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3df7 n GLY 167 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3df7 s ILE 168 N -3.00 3.87 -0.21 -0.61 1.01 -0.46 -4.76 121.20 117.04 3df7 s ILE 168 Ca 0.00 1.18 -0.19 0.00 0.00 0.00 0.00 60.65 61.64 3df7 s ILE 168 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3df7 s ILE 168 CO 0.00 -0.04 0.56 0.20 0.00 0.00 0.00 174.94 175.67 3df7 s ASN 169 N 2.06 6.59 0.28 3.58 -0.87 -1.26 -0.32 114.94 125.00 3df7 s ASN 169 Ca 0.62 0.72 0.03 0.00 -1.57 0.00 0.00 52.86 52.66 3df7 s ASN 169 Cb -0.29 -2.31 -0.04 0.00 -0.02 0.00 0.00 41.25 38.59 3df7 s ASN 169 CO 0.24 -0.24 0.18 -0.76 -2.57 0.00 0.00 177.10 173.95 3df7 s LEU 170 N 1.86 1.56 -0.06 0.60 1.43 0.12 -0.61 118.68 123.58 3df7 s LEU 170 Ca 0.26 -1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 51.68 3df7 s LEU 170 Cb -0.16 0.32 0.02 0.00 0.03 0.00 0.00 46.19 46.41 3df7 s LEU 170 CO 0.10 -0.91 0.29 -0.94 0.23 0.00 0.00 176.35 175.12 3df7 s SER 171 N -3.32 -0.23 -0.13 2.29 1.04 -0.25 -0.67 113.70 112.43 3df7 s SER 171 Ca 0.38 0.31 0.02 0.00 0.48 0.00 0.00 55.95 57.13 3df7 s SER 171 Cb 0.05 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3df7 s SER 171 CO 0.18 -0.28 -0.20 -0.69 0.98 0.00 0.00 173.24 173.23 3df7 s VAL 172 N -0.63 2.27 -0.28 5.02 1.01 0.22 -0.28 120.40 127.73 3df7 s VAL 172 Ca -0.07 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 3df7 s VAL 172 Cb -0.04 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3df7 s VAL 172 CO 0.02 0.54 0.47 -0.44 0.00 0.00 0.00 175.10 175.69 3df7 s SER 173 N 0.67 6.35 0.16 3.32 0.01 0.82 -1.09 113.70 123.94 3df7 s SER 173 Ca -0.10 0.32 0.11 0.00 1.31 0.00 0.00 55.95 57.59 3df7 s SER 173 Cb -0.16 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 3df7 s SER 173 CO 0.02 -0.30 -0.24 -0.76 0.41 0.00 0.00 173.24 172.37 3df7 s LEU 174 N 2.25 2.38 -0.31 2.44 1.43 0.04 0.03 118.68 126.93 3df7 s LEU 174 Ca 0.19 -0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 52.43 3df7 s LEU 174 Cb -0.16 -1.13 0.04 0.00 0.03 0.00 0.00 46.19 44.97 3df7 s LEU 174 CO 0.10 0.12 0.06 0.00 0.23 0.00 0.00 176.35 176.87 3df7 s ALA 175 N -1.44 2.96 -0.31 4.21 0.00 0.62 -0.98 121.76 126.83 3df7 s ALA 175 Ca 0.17 -1.68 -0.11 0.00 0.00 0.00 0.00 51.96 50.33 3df7 s ALA 175 Cb -0.09 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 3df7 s ALA 175 CO 0.08 -1.21 0.20 0.08 0.00 0.00 0.00 175.76 174.91 3df7 s VAL 176 N 1.37 5.19 0.00 0.00 1.01 0.11 -1.20 120.40 126.89 3df7 s VAL 176 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3df7 s VAL 176 Cb -0.19 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3df7 s VAL 176 CO 0.01 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3df7 n GLY 177 N 5.07 3.91 0.36 4.51 0.00 -1.26 -0.22 105.19 117.55 3df7 n GLY 177 Ca -0.14 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.63 3df7 n GLY 177 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3df7 h GLU 178 N 0.00 0.93 -5.03 1.61 3.07 -2.00 -3.43 114.58 109.73 3df7 h GLU 178 Ca 0.00 -0.06 -0.50 0.00 -0.50 0.00 0.00 59.36 58.31 3df7 h GLU 178 Cb 0.00 -0.21 -0.14 0.00 -0.84 0.00 0.00 28.75 27.57 3df7 h GLU 178 CO 0.00 0.61 -0.55 -0.51 -1.40 0.00 0.00 179.01 177.16 3df7 s ASP 179 N -6.07 2.33 -0.20 1.42 1.01 -1.26 -5.14 116.67 108.76 3df7 s ASP 179 Ca -0.11 -1.57 -0.04 0.00 0.71 0.00 0.00 52.55 51.54 3df7 s ASP 179 Cb 0.20 0.34 -0.02 0.00 1.01 0.00 0.00 42.92 44.44 3df7 s ASP 179 CO 0.79 -0.84 -0.02 -0.69 0.21 0.00 0.00 175.17 174.61 3df7 s VAL 180 N -3.35 3.74 -0.05 -1.27 1.01 -1.26 -4.46 120.40 114.76 3df7 s VAL 180 Ca 0.30 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.95 3df7 s VAL 180 Cb 0.05 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3df7 s VAL 180 CO 0.15 0.44 -0.24 -0.75 0.00 0.00 0.00 175.10 174.71 3df7 s LYS 181 N 1.02 2.37 -0.14 2.72 2.20 -0.34 -4.96 119.74 122.62 3df7 s LYS 181 Ca 0.01 -0.85 -0.28 0.00 -0.36 0.00 0.00 55.97 54.49 3df7 s LYS 181 Cb -0.14 -2.04 -0.01 0.00 -1.51 0.00 0.00 37.83 34.13 3df7 s LYS 181 CO 0.01 0.37 0.93 0.00 -0.36 0.00 0.00 175.35 176.30 3df7 n LEU 183 N 5.16 1.66 -3.58 0.00 4.77 0.10 -4.95 117.00 120.16 3df7 n LEU 183 Ca 0.07 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 56.04 3df7 n LEU 183 Cb 0.49 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3df7 n LEU 183 CO 0.50 0.69 0.81 -0.55 -1.33 0.00 0.00 177.39 177.51 3df7 s SER 184 N -6.27 -0.34 -0.18 -1.43 0.15 -1.07 -4.99 113.70 99.57 3df7 s SER 184 Ca -0.19 0.37 -0.00 0.00 0.70 0.00 0.00 55.95 56.83 3df7 s SER 184 Cb 0.07 0.28 0.01 0.00 -1.71 0.00 0.00 66.02 64.67 3df7 s SER 184 CO 0.75 -0.31 -0.16 -0.69 1.20 0.00 0.00 173.24 174.02 3df7 s VAL 185 N -1.09 2.42 0.12 4.45 1.01 -1.26 -0.12 120.40 125.92 3df7 s VAL 185 Ca -0.01 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.23 3df7 s VAL 185 Cb -0.01 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3df7 s VAL 185 CO 0.01 0.51 -0.15 0.20 0.00 0.00 0.00 175.10 175.67 3df7 s ASN 186 N 1.24 4.08 -0.14 3.32 -0.87 0.62 -0.69 114.94 122.50 3df7 s ASN 186 Ca 0.03 -0.51 -0.10 0.00 -1.57 0.00 0.00 52.86 50.71 3df7 s ASN 186 Cb -0.14 -0.65 -0.05 0.00 -0.02 0.00 0.00 41.25 40.39 3df7 s ASN 186 CO -0.08 0.17 0.20 -0.70 -2.57 0.00 0.00 177.10 174.12 3df7 s GLU 187 N -2.23 3.87 -0.12 -0.60 2.12 -0.27 -1.09 118.70 120.39 3df7 s GLU 187 Ca 0.20 -0.04 -0.03 0.00 0.36 0.00 0.00 54.97 55.45 3df7 s GLU 187 Cb -0.11 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 3df7 s GLU 187 CO 0.12 0.53 0.01 -0.65 -0.54 0.00 0.00 175.26 174.72 3df7 s GLN 188 N -0.35 3.29 -0.31 4.30 -1.52 0.22 -0.61 119.66 124.69 3df7 s GLN 188 Ca 0.14 -0.41 -0.07 0.00 -1.95 0.00 0.00 55.36 53.07 3df7 s GLN 188 Cb -0.13 -2.89 0.01 0.00 -0.22 0.00 0.00 33.01 29.79 3df7 s GLN 188 CO 0.03 0.54 0.10 0.42 -0.25 0.00 0.00 175.29 176.14 3df7 s ILE 189 N -0.43 4.02 -0.08 1.08 1.01 0.10 -4.55 121.20 122.34 3df7 s ILE 189 Ca 0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 3df7 s ILE 189 Cb -0.12 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 3df7 s ILE 189 CO 0.02 0.01 -0.03 -0.63 0.00 0.00 0.00 174.94 174.31 3df7 s ILE 190 N 1.49 4.05 -0.10 2.92 1.01 -1.26 0.01 121.20 129.33 3df7 s ILE 190 Ca 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 3df7 s ILE 190 Cb -0.18 -2.69 0.03 0.00 0.01 0.00 0.00 42.46 39.63 3df7 s ILE 190 CO 0.03 0.60 -0.01 0.21 0.00 0.00 0.00 174.94 175.76 3df7 s ASN 191 N -0.77 1.88 -1.33 3.58 3.84 0.63 -4.82 114.94 117.96 3df7 s ASN 191 Ca 0.12 -0.23 -0.04 0.00 0.21 0.00 0.00 52.86 52.92 3df7 s ASN 191 Cb -0.11 -0.55 0.02 0.00 -0.55 0.00 0.00 41.25 40.06 3df7 s ASN 191 CO 0.02 -0.19 0.90 -3.20 -2.79 0.00 0.00 177.10 171.84 3df7 n ASN 192 N 5.09 -2.84 -0.98 -4.21 5.15 -1.26 -1.36 115.26 114.86 3df7 n ASN 192 Ca -0.08 -0.72 -0.13 0.00 -0.60 0.00 0.00 54.58 53.04 3df7 n ASN 192 Cb 0.50 -4.42 -0.05 0.00 -0.53 0.00 0.00 39.78 35.27 3df7 n ASN 192 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3df7 n PHE 193 N -4.43 0.00 -4.99 1.20 3.72 -1.26 -4.97 117.46 106.73 3df7 n PHE 193 Ca -0.19 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.94 3df7 n PHE 193 Cb 0.63 -2.68 -0.16 0.00 -0.94 0.00 0.00 39.48 36.33 3df7 n PHE 193 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3df7 s ARG 194 N -3.00 1.88 -0.13 -1.08 0.52 -0.46 -4.90 118.95 111.78 3df7 s ARG 194 Ca 0.00 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.20 3df7 s ARG 194 Cb 0.00 -1.69 -0.04 0.00 0.52 0.00 0.00 34.95 33.74 3df7 s ARG 194 CO 0.00 0.35 1.59 0.71 0.02 0.00 0.00 175.30 177.98 3df7 s TYR 195 N -0.22 2.13 -0.12 -0.53 1.51 -1.26 -0.26 117.35 118.59 3df7 s TYR 195 Ca 0.01 0.43 0.21 0.00 -1.01 0.00 0.00 57.07 56.71 3df7 s TYR 195 Cb -0.10 -3.88 -0.31 0.00 -0.11 0.00 0.00 41.96 37.55 3df7 s TYR 195 CO 0.01 -3.24 0.50 0.00 -1.11 0.00 0.00 175.55 171.71 3df7 n ALA 196 N 7.60 2.96 -3.82 3.71 0.00 0.10 -4.92 120.51 126.14 3df7 n ALA 196 Ca 0.17 -0.50 0.04 0.00 0.00 0.00 0.00 53.44 53.15 3df7 n ALA 196 Cb 0.44 -0.72 0.01 0.00 0.00 0.00 0.00 19.45 19.18 3df7 n ALA 196 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3df7 s GLY 197 N -4.25 -0.32 0.04 0.00 0.00 -1.02 -1.75 107.32 100.03 3df7 s GLY 197 Ca -0.06 0.46 -0.04 0.00 0.00 0.00 0.00 44.72 45.08 3df7 s GLY 197 CO 0.86 3.68 0.07 0.00 0.00 0.00 0.00 173.10 177.71 3df7 s ALA 198 N -2.06 0.05 -0.15 3.20 0.00 0.25 0.02 121.76 123.08 3df7 s ALA 198 Ca 0.24 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.53 3df7 s ALA 198 Cb 0.03 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.43 3df7 s ALA 198 CO -0.04 -0.33 -0.17 0.08 0.00 0.00 0.00 175.76 175.30 3df7 s VAL 199 N -2.84 1.75 -0.19 0.00 1.01 0.22 -0.10 120.40 120.24 3df7 s VAL 199 Ca -0.03 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3df7 s VAL 199 Cb 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.82 3df7 s VAL 199 CO -0.06 0.49 -0.12 -0.69 0.00 0.00 0.00 175.10 174.72 3df7 s VAL 200 N 1.22 1.72 0.72 2.92 1.01 0.01 -1.12 120.40 126.88 3df7 s VAL 200 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 3df7 s VAL 200 Cb -0.14 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.56 3df7 s VAL 200 CO -0.08 0.27 1.08 -2.16 0.00 0.00 0.00 175.10 174.21 3df7 s PRO 201 N 1.38 2.48 0.55 2.72 0.04 -1.26 0.03 135.00 140.94 3df7 s PRO 201 Ca 0.00 0.18 -0.22 0.00 0.04 0.00 0.00 61.00 61.01 3df7 s PRO 201 Cb -0.15 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 3df7 s PRO 201 CO -0.09 -1.20 1.35 0.00 0.04 0.00 0.00 177.00 177.09 3df7 s ALA 202 N -3.36 2.80 -1.22 8.56 0.00 0.13 -4.77 121.76 123.89 3df7 s ALA 202 Ca 0.59 1.31 -0.10 0.00 0.00 0.00 0.00 51.96 53.76 3df7 s ALA 202 Cb -0.11 -3.56 0.19 0.00 0.00 0.00 0.00 23.12 19.64 3df7 s ALA 202 CO 0.49 -1.36 1.61 0.54 0.00 0.00 0.00 175.76 177.05 3df7 n ARG 203 N -1.07 3.61 -4.21 0.00 1.74 -1.26 -4.93 116.66 110.54 3df7 n ARG 203 Ca 0.11 -3.82 -0.12 0.00 -0.77 0.00 0.00 57.85 53.24 3df7 n ARG 203 Cb 0.45 -2.90 -0.10 0.00 -1.02 0.00 0.00 32.46 28.89 3df7 n ARG 203 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3df7 s ILE 204 N 0.39 0.74 0.79 0.55 -4.36 -1.26 -5.12 121.20 112.92 3df7 s ILE 204 Ca 0.39 -1.97 -0.11 0.00 -0.26 0.00 0.00 60.65 58.71 3df7 s ILE 204 Cb 0.03 -1.89 0.07 0.00 1.25 0.00 0.00 42.46 41.92 3df7 s ILE 204 CO 0.01 -0.69 1.09 -0.94 0.24 0.00 0.00 174.94 174.65 3df7 s SER 205 N -3.11 4.34 0.30 4.36 1.04 -1.26 -4.86 113.70 114.51 3df7 s SER 205 Ca 0.18 1.76 0.01 0.00 0.48 0.00 0.00 55.95 58.38 3df7 s SER 205 Cb 0.05 -2.46 0.47 0.00 0.10 0.00 0.00 66.02 64.18 3df7 s SER 205 CO -0.00 -2.13 1.82 -0.78 0.98 0.00 0.00 173.24 173.12 3df7 h ASP 206 N -1.20 0.62 -0.29 7.02 3.58 -2.00 -1.72 116.42 122.43 3df7 h ASP 206 Ca -0.45 -0.13 -0.04 0.00 0.42 0.00 0.00 57.03 56.84 3df7 h ASP 206 Cb 1.24 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.11 3df7 h ASP 206 CO 0.52 0.69 0.04 -0.08 -2.88 0.00 0.00 179.24 177.53 3df7 h GLU 207 N 0.62 0.49 -0.85 0.28 4.57 -1.99 -0.42 114.58 117.28 3df7 h GLU 207 Ca 0.13 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3df7 h GLU 207 Cb 0.38 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 3df7 h GLU 207 CO 0.01 0.60 0.48 0.28 -1.18 0.00 0.00 179.01 179.21 3df7 h VAL 208 N 0.30 1.24 0.11 0.32 2.07 -1.89 -1.48 116.25 116.92 3df7 h VAL 208 Ca 0.09 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3df7 h VAL 208 Cb 0.36 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3df7 h VAL 208 CO 0.01 0.27 -0.07 0.50 0.02 0.00 0.00 177.57 178.30 3df7 h LYS 209 N 1.18 -0.17 -0.45 1.57 3.64 -1.05 -0.65 116.57 120.64 3df7 h LYS 209 Ca 0.30 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.75 3df7 h LYS 209 Cb -0.00 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 3df7 h LYS 209 CO -0.05 -0.11 0.14 0.00 -2.27 0.00 0.00 179.45 177.16 3df7 h ARG 210 N -0.17 0.29 -0.37 1.90 3.08 -0.67 -0.08 114.38 118.36 3df7 h ARG 210 Ca -0.01 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3df7 h ARG 210 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3df7 h ARG 210 CO 0.01 0.19 0.17 0.93 -1.07 0.00 0.00 179.97 180.20 3df7 h GLU 211 N 0.30 0.54 -0.67 0.04 5.08 -1.09 0.07 114.58 118.86 3df7 h GLU 211 Ca 0.21 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3df7 h GLU 211 Cb 0.23 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3df7 h GLU 211 CO -0.24 0.50 0.19 0.28 -1.00 0.00 0.00 179.01 178.75 3df7 h VAL 212 N 0.46 1.25 -0.29 3.13 2.07 -0.75 -1.15 116.25 120.97 3df7 h VAL 212 Ca 0.13 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 3df7 h VAL 212 Cb 0.14 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3df7 h VAL 212 CO -0.01 0.34 -0.16 0.58 0.02 0.00 0.00 177.57 178.33 3df7 h VAL 213 N 0.99 1.30 -0.68 2.57 2.07 -0.86 -1.15 116.25 120.50 3df7 h VAL 213 Ca 0.22 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.51 3df7 h VAL 213 Cb 0.30 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 3df7 h VAL 213 CO -0.01 0.40 0.40 -0.08 0.02 0.00 0.00 177.57 178.31 3df7 h GLU 214 N 0.36 0.73 -0.00 1.57 4.81 -0.63 -0.55 114.58 120.86 3df7 h GLU 214 Ca 0.06 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 3df7 h GLU 214 Cb 0.69 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3df7 h GLU 214 CO 0.05 0.48 -0.74 0.93 -0.73 0.00 0.00 179.01 179.00 3df7 h GLU 215 N 0.75 0.03 -0.40 1.92 4.39 -1.16 -1.89 114.58 118.22 3df7 h GLU 215 Ca 0.29 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.90 3df7 h GLU 215 Cb 0.13 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3df7 h GLU 215 CO -0.15 0.75 -0.03 0.00 -1.16 0.00 0.00 179.01 178.42 3df7 h ALA 216 N 1.24 0.54 -0.43 3.43 0.00 -0.58 -1.38 119.26 122.07 3df7 h ALA 216 Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3df7 h ALA 216 Cb 1.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3df7 h ALA 216 CO 0.10 0.34 0.18 0.28 0.00 0.00 0.00 179.25 180.15 3df7 h VAL 217 N 0.54 1.20 -0.85 0.00 2.07 -1.08 -2.16 116.25 115.96 3df7 h VAL 217 Ca 0.11 -0.60 0.06 0.00 0.82 0.00 0.00 66.70 67.09 3df7 h VAL 217 Cb 0.52 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3df7 h VAL 217 CO 0.03 0.22 0.56 -0.09 0.02 0.00 0.00 177.57 178.30 3df7 h ARG 218 N 0.55 0.93 0.01 1.57 2.43 -1.14 -1.84 114.38 116.89 3df7 h ARG 218 Ca 0.14 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3df7 h ARG 218 Cb 0.18 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3df7 h ARG 218 CO -0.01 0.61 -0.01 0.00 -1.51 0.00 0.00 179.97 179.05 3df7 h ALA 219 N 1.54 -0.02 0.00 2.80 0.00 -0.78 -3.19 119.26 119.61 3df7 h ALA 219 Ca 0.37 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3df7 h ALA 219 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3df7 h ALA 219 CO -0.13 -0.37 -0.32 -0.39 0.00 0.00 0.00 179.25 178.04 3df7 h VAL 220 N -0.30 1.10 0.00 0.00 -1.51 -1.09 -2.08 116.25 112.37 3df7 h VAL 220 Ca -0.00 -1.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.32 3df7 h VAL 220 Cb 0.29 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 3df7 h VAL 220 CO 0.00 0.31 0.00 -0.62 -1.23 0.00 0.00 177.57 176.04 3df7 n GLU 221 N -3.97 0.07 0.09 5.19 1.02 -0.72 -2.10 120.64 120.22 3df7 n GLU 221 Ca -0.02 0.35 -0.04 0.00 -0.02 0.00 0.00 57.16 57.43 3df7 n GLU 221 Cb 0.38 -1.65 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 3df7 n GLU 221 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3df7 s VAL 223 N -2.84 4.74 0.28 0.00 1.01 -0.89 -5.04 120.40 117.65 3df7 s VAL 223 Ca 0.02 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 60.40 3df7 s VAL 223 Cb 0.10 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 3df7 s VAL 223 CO 0.79 -0.60 1.36 -1.61 0.00 0.00 0.00 175.10 175.05 3df7 s GLU 224 N 1.53 4.32 0.00 2.72 8.01 -1.26 -3.11 118.70 130.90 3df7 s GLU 224 Ca 0.04 2.24 0.00 0.00 0.01 0.00 0.00 54.97 57.25 3df7 s GLU 224 Cb -0.25 -3.10 0.00 0.00 -4.31 0.00 0.00 34.13 26.48 3df7 s GLU 224 CO 0.04 -0.29 0.00 0.41 0.01 0.00 0.00 175.26 175.42 3df7 n GLY 225 N 1.52 2.58 3.77 -1.39 0.00 -1.26 -4.13 105.19 106.28 3df7 n GLY 225 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3df7 n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3df7 s LEU 226 N 0.00 4.21 -0.22 0.99 1.43 -1.18 -1.43 118.68 122.48 3df7 s LEU 226 Ca 0.00 2.85 -0.27 0.00 -1.03 0.00 0.00 54.13 55.68 3df7 s LEU 226 Cb 0.00 -3.85 0.08 0.00 0.03 0.00 0.00 46.19 42.45 3df7 s LEU 226 CO 0.00 -0.97 0.77 0.21 0.23 0.00 0.00 176.35 176.59 3df7 s ASN 227 N -0.50 -0.67 0.00 2.29 3.84 -1.26 -4.83 114.94 113.80 3df7 s ASN 227 Ca 0.57 1.16 0.00 0.00 0.21 0.00 0.00 52.86 54.80 3df7 s ASN 227 Cb -0.42 1.12 0.00 0.00 -0.55 0.00 0.00 41.25 41.40 3df7 s ASN 227 CO 0.55 -0.32 0.00 0.61 -2.79 0.00 0.00 177.10 175.15 3df7 n GLY 228 N 2.13 -0.08 3.70 1.21 0.00 0.69 -2.37 105.19 110.46 3df7 n GLY 228 Ca -0.15 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 3df7 n GLY 228 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3df7 s TYR 229 N 0.00 3.41 -0.02 1.61 5.04 -1.26 0.09 117.35 126.22 3df7 s TYR 229 Ca 0.00 1.40 0.01 0.00 -2.44 0.00 0.00 57.07 56.04 3df7 s TYR 229 Cb 0.00 -3.32 0.01 0.00 0.35 0.00 0.00 41.96 39.00 3df7 s TYR 229 CO 0.00 -0.86 -0.05 0.08 -1.34 0.00 0.00 175.55 173.38 3df7 s VAL 230 N 1.60 0.44 -0.09 3.14 1.01 -0.15 -3.70 120.40 122.64 3df7 s VAL 230 Ca 0.55 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 3df7 s VAL 230 Cb -0.24 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 3df7 s VAL 230 CO 0.25 0.16 -0.00 -0.83 0.00 0.00 0.00 175.10 174.67 3df7 s GLY 231 N 0.34 1.84 -0.15 4.51 0.00 0.22 -0.78 107.32 113.29 3df7 s GLY 231 Ca -0.04 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.88 3df7 s GLY 231 CO -0.00 -0.53 -0.16 0.14 0.00 0.00 0.00 173.10 172.55 3df7 s VAL 232 N -0.77 1.71 -0.05 1.40 1.01 -0.25 0.12 120.40 123.57 3df7 s VAL 232 Ca 0.12 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 3df7 s VAL 232 Cb -0.11 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 3df7 s VAL 232 CO 0.02 0.48 0.69 -1.81 0.00 0.00 0.00 175.10 174.49 3df7 s ASP 233 N 1.37 7.00 0.03 3.32 1.01 0.66 -0.61 116.67 129.45 3df7 s ASP 233 Ca 0.04 1.20 0.01 0.00 0.71 0.00 0.00 52.55 54.51 3df7 s ASP 233 Cb -0.13 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 3df7 s ASP 233 CO -0.10 -0.08 -0.05 -0.63 0.21 0.00 0.00 175.17 174.51 3df7 s ILE 234 N 0.63 0.30 -0.12 0.77 1.01 0.15 -0.68 121.20 123.26 3df7 s ILE 234 Ca 0.37 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 60.18 3df7 s ILE 234 Cb -0.18 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 41.91 3df7 s ILE 234 CO 0.18 -0.37 -0.20 -0.69 0.00 0.00 0.00 174.94 173.87 3df7 s VAL 235 N -1.22 1.86 -0.40 2.92 1.01 -0.50 0.13 120.40 124.19 3df7 s VAL 235 Ca -0.11 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 3df7 s VAL 235 Cb -0.09 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.68 3df7 s VAL 235 CO -0.00 0.51 0.26 -0.47 0.00 0.00 0.00 175.10 175.40 3df7 s TYR 236 N 0.78 3.25 0.00 5.22 5.04 0.56 -1.39 117.35 130.81 3df7 s TYR 236 Ca -0.09 -0.89 0.00 0.00 -2.44 0.00 0.00 57.07 53.64 3df7 s TYR 236 Cb -0.16 -2.60 0.00 0.00 0.35 0.00 0.00 41.96 39.55 3df7 s TYR 236 CO 0.00 -0.66 0.00 -1.13 -1.34 0.00 0.00 175.55 172.42 3df7 n SER 237 N 5.06 0.00 -0.09 4.32 3.41 -1.26 -1.36 113.62 123.70 3df7 n SER 237 Ca -0.11 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.55 3df7 n SER 237 Cb 0.46 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 3df7 n SER 237 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3df7 n ASP 238 N -0.43 0.78 -3.74 4.04 5.75 -1.26 -4.91 116.55 116.78 3df7 n ASP 238 Ca 0.00 -0.89 -0.07 0.00 -0.01 0.00 0.00 54.79 53.81 3df7 n ASP 238 Cb 0.00 0.81 -0.02 0.00 -1.03 0.00 0.00 41.12 40.88 3df7 n ASP 238 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3df7 s GLN 239 N -1.79 1.53 0.10 0.11 -2.07 -1.26 -5.14 119.66 111.14 3df7 s GLN 239 Ca 0.06 -0.79 -0.30 0.00 -1.82 0.00 0.00 55.36 52.50 3df7 s GLN 239 Cb 0.08 0.56 -0.06 0.00 -1.09 0.00 0.00 33.01 32.50 3df7 s GLN 239 CO 0.37 -0.70 1.16 -2.14 -1.32 0.00 0.00 175.29 172.67 3df7 s PRO 240 N -3.73 4.49 -0.17 9.60 0.02 -1.26 -4.37 135.00 139.58 3df7 s PRO 240 Ca 0.09 1.75 0.01 0.00 0.02 0.00 0.00 61.00 62.86 3df7 s PRO 240 Cb -0.04 -3.32 0.01 0.00 0.02 0.00 0.00 34.50 31.17 3df7 s PRO 240 CO 0.01 -0.14 -0.18 0.71 -0.33 0.00 0.00 177.00 177.08 3df7 s TYR 241 N 0.60 2.77 -0.22 6.54 2.02 -0.49 -4.65 117.35 123.93 3df7 s TYR 241 Ca 0.55 -1.35 -0.26 0.00 -0.37 0.00 0.00 57.07 55.65 3df7 s TYR 241 Cb -0.29 -1.91 -0.00 0.00 -0.40 0.00 0.00 41.96 39.36 3df7 s TYR 241 CO 0.31 -0.65 0.87 0.08 -1.57 0.00 0.00 175.55 174.59 3df7 s VAL 242 N 1.08 4.82 -0.24 0.71 1.01 -0.05 -1.41 120.40 126.32 3df7 s VAL 242 Ca -0.00 1.67 0.04 0.00 0.00 0.00 0.00 61.98 63.68 3df7 s VAL 242 Cb -0.14 -4.16 -0.17 0.00 0.00 0.00 0.00 36.38 31.91 3df7 s VAL 242 CO -0.06 -0.07 -0.19 -0.38 0.00 0.00 0.00 175.10 174.40 3df7 n ILE 243 N 5.14 1.41 -3.50 2.22 2.08 0.14 -4.31 119.36 122.54 3df7 n ILE 243 Ca 0.06 -0.58 -0.14 0.00 0.56 0.00 0.00 62.75 62.66 3df7 n ILE 243 Cb 0.48 -1.28 -0.04 0.00 -0.75 0.00 0.00 39.64 38.05 3df7 n ILE 243 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3df7 s GLU 244 N -2.49 1.14 -0.16 0.38 2.12 -1.13 -4.98 118.70 113.57 3df7 s GLU 244 Ca -0.31 -0.24 -0.00 0.00 0.36 0.00 0.00 54.97 54.78 3df7 s GLU 244 Cb 0.08 0.53 0.04 0.00 0.26 0.00 0.00 34.13 35.04 3df7 s GLU 244 CO 0.60 -0.44 -0.07 0.42 -0.54 0.00 0.00 175.26 175.23 3df7 s ILE 245 N -2.75 1.22 -0.46 -3.70 1.01 -1.26 -0.25 121.20 115.02 3df7 s ILE 245 Ca -0.04 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 59.84 3df7 s ILE 245 Cb -0.00 -1.33 0.07 0.00 0.01 0.00 0.00 42.46 41.20 3df7 s ILE 245 CO -0.04 0.21 0.37 0.20 0.00 0.00 0.00 174.94 175.68 3df7 s ASN 246 N 1.60 6.11 -1.47 3.58 0.01 0.12 -4.79 114.94 120.09 3df7 s ASN 246 Ca 0.02 -1.28 -0.08 0.00 -0.71 0.00 0.00 52.86 50.80 3df7 s ASN 246 Cb -0.15 -2.17 0.02 0.00 0.41 0.00 0.00 41.25 39.37 3df7 s ASN 246 CO -0.08 -0.61 2.60 0.00 -1.51 0.00 0.00 177.10 177.50 3df7 n ALA 247 N 5.18 6.97 -3.62 0.60 0.00 -1.26 -0.61 120.51 127.76 3df7 n ALA 247 Ca -0.12 -3.83 0.01 0.00 0.00 0.00 0.00 53.44 49.49 3df7 n ALA 247 Cb 0.44 -3.12 -0.01 0.00 0.00 0.00 0.00 19.45 16.76 3df7 n ALA 247 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3df7 s ARG 248 N 0.79 0.43 0.59 0.00 1.70 -1.24 -4.48 118.95 116.75 3df7 s ARG 248 Ca 0.60 -0.24 -0.20 0.00 -0.47 0.00 0.00 55.73 55.42 3df7 s ARG 248 Cb 0.17 0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 3df7 s ARG 248 CO -0.07 -0.20 1.27 1.28 -1.08 0.00 0.00 175.30 176.50 3df7 n LEU 249 N -0.46 5.41 -4.35 -1.89 4.77 -1.26 -4.16 117.00 115.07 3df7 n LEU 249 Ca -0.08 0.89 -0.22 0.00 -0.03 0.00 0.00 56.01 56.58 3df7 n LEU 249 Cb 0.62 -1.54 -0.11 0.00 -2.33 0.00 0.00 43.42 40.07 3df7 n LEU 249 CO 0.12 -0.96 -0.48 0.42 -1.33 0.00 0.00 177.39 175.16 3df7 s THR 250 N -1.36 1.88 0.34 -5.08 -4.23 -1.26 -4.97 115.64 100.95 3df7 s THR 250 Ca 0.77 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.40 3df7 s THR 250 Cb -0.40 -1.92 0.33 0.00 1.34 0.00 0.00 72.50 71.84 3df7 s THR 250 CO 0.45 -0.35 1.69 0.74 -0.54 0.00 0.00 174.62 176.61 3df7 h THR 251 N 3.07 0.40 -0.04 3.99 2.02 -1.95 -1.51 112.91 118.89 3df7 h THR 251 Ca -0.42 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 66.63 3df7 h THR 251 Cb 1.21 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3df7 h THR 251 CO 0.53 0.08 0.33 -0.65 0.37 0.00 0.00 175.52 176.18 3df7 h PRO 252 N 0.43 0.00 -0.04 6.66 0.11 -2.00 -1.13 132.00 136.04 3df7 h PRO 252 Ca 0.70 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.80 3df7 h PRO 252 Cb 1.50 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.61 3df7 h PRO 252 CO -0.54 0.00 -0.02 -0.24 -0.21 0.00 0.00 178.00 176.99 3df7 h VAL 253 N 0.00 1.04 0.00 3.15 3.04 -1.70 -2.32 116.25 119.47 3df7 h VAL 253 Ca 0.02 -0.18 -0.01 0.00 -1.01 0.00 0.00 66.70 65.52 3df7 h VAL 253 Cb 0.67 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 3df7 h VAL 253 CO -0.00 0.06 -0.03 -0.37 -1.01 0.00 0.00 177.57 176.22 3df7 h VAL 254 N 0.05 0.45 -0.00 1.51 -1.51 -1.42 -2.03 116.25 113.30 3df7 h VAL 254 Ca 0.01 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 3df7 h VAL 254 Cb 0.08 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 3df7 h VAL 254 CO 0.00 0.03 -0.28 0.00 -1.23 0.00 0.00 177.57 176.09 3df7 n ALA 255 N -2.28 3.03 -0.17 5.19 0.00 -0.87 -4.41 120.51 121.00 3df7 n ALA 255 Ca -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 3df7 n ALA 255 Cb 0.12 -1.26 0.08 0.00 0.00 0.00 0.00 19.45 18.38 3df7 n ALA 255 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3df7 h PHE 256 N 0.09 0.26 -0.22 0.00 -1.00 -1.48 0.11 116.94 114.70 3df7 h PHE 256 Ca 0.00 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.84 3df7 h PHE 256 Cb 0.49 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.98 3df7 h PHE 256 CO 0.00 0.05 0.03 0.77 -1.61 0.00 0.00 178.31 177.55 3df7 h SER 257 N 0.31 -0.01 -0.11 2.17 0.02 -1.75 0.42 113.55 114.60 3df7 h SER 257 Ca 0.27 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.19 3df7 h SER 257 Cb 0.34 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 3df7 h SER 257 CO -0.31 0.02 -0.18 0.03 -1.14 0.00 0.00 176.83 175.26 3df7 h ARG 258 N 0.11 0.31 -0.49 3.45 3.08 -1.80 0.50 114.38 119.55 3df7 h ARG 258 Ca 0.10 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 3df7 h ARG 258 Cb 0.11 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3df7 h ARG 258 CO -0.14 0.78 -0.17 0.00 -1.07 0.00 0.00 179.97 179.36 3df7 h ALA 259 N 0.54 0.68 -0.00 0.04 0.00 -0.66 -3.38 119.26 116.47 3df7 h ALA 259 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3df7 h ALA 259 Cb 0.75 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3df7 h ALA 259 CO 0.04 0.64 -0.09 0.66 0.00 0.00 0.00 179.25 180.50 3df7 n TYR 260 N -4.15 0.00 -1.19 0.00 4.01 0.15 -0.71 117.16 115.26 3df7 n TYR 260 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.68 3df7 n TYR 260 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.43 3df7 n TYR 260 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3df7 n GLY 261 N 0.99 0.89 3.16 2.72 0.00 0.17 -0.25 105.19 112.86 3df7 n GLY 261 Ca 0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 3df7 n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df7 s ALA 262 N -2.25 -0.74 0.69 4.61 0.00 -1.24 -4.57 121.76 118.27 3df7 s ALA 262 Ca 0.00 1.03 -0.07 0.00 0.00 0.00 0.00 51.96 52.91 3df7 s ALA 262 Cb 0.00 -0.62 0.05 0.00 0.00 0.00 0.00 23.12 22.54 3df7 s ALA 262 CO 0.00 -0.18 1.01 -1.54 0.00 0.00 0.00 175.76 175.05 3df7 s SER 263 N 0.77 5.03 0.52 0.00 1.04 -1.26 -3.18 113.70 116.62 3df7 s SER 263 Ca -0.05 0.62 0.18 0.00 0.48 0.00 0.00 55.95 57.18 3df7 s SER 263 Cb -0.06 -1.35 1.31 0.00 0.10 0.00 0.00 66.02 66.02 3df7 s SER 263 CO -0.05 -1.48 2.14 1.62 0.98 0.00 0.00 173.24 176.45 3df7 h VAL 264 N -0.55 0.94 -0.36 5.02 3.04 -1.91 -0.87 116.25 121.56 3df7 h VAL 264 Ca -0.45 -0.12 -0.06 0.00 -1.01 0.00 0.00 66.70 65.06 3df7 h VAL 264 Cb 1.30 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.63 3df7 h VAL 264 CO 0.61 0.03 -0.02 0.00 -1.01 0.00 0.00 177.57 177.19 3df7 h ALA 265 N 1.97 0.49 -0.43 3.17 0.00 -1.92 0.68 119.26 123.21 3df7 h ALA 265 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3df7 h ALA 265 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3df7 h ALA 265 CO 0.00 0.28 0.25 -0.44 0.00 0.00 0.00 179.25 179.34 3df7 h ASP 266 N 0.46 0.53 -0.65 0.00 3.32 -1.52 -1.23 116.42 117.33 3df7 h ASP 266 Ca 0.10 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 3df7 h ASP 266 Cb 0.49 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3df7 h ASP 266 CO 0.02 0.45 0.14 -0.07 -1.72 0.00 0.00 179.24 178.07 3df7 h LEU 267 N 0.56 1.00 -1.37 1.55 3.38 -1.03 0.82 115.31 120.22 3df7 h LEU 267 Ca 0.15 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3df7 h LEU 267 Cb 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3df7 h LEU 267 CO -0.03 0.99 -0.18 -0.07 0.09 0.00 0.00 178.44 179.24 3df7 h LEU 268 N 0.98 0.00 -0.57 1.67 3.38 -0.67 -2.23 115.31 117.87 3df7 h LEU 268 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3df7 h LEU 268 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3df7 h LEU 268 CO 0.01 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.72 3df7 n ALA 269 N -2.23 2.53 -0.24 1.53 0.00 -0.48 -4.87 120.51 116.75 3df7 n ALA 269 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3df7 n ALA 269 Cb 0.37 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3df7 n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df7 n GLY 270 N 0.88 0.95 3.74 0.00 0.00 -0.84 -5.05 105.19 104.87 3df7 n GLY 270 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3df7 n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3df7 s GLY 271 N -1.67 1.89 0.40 -0.02 0.00 0.22 -4.98 107.32 103.16 3df7 s GLY 271 Ca 0.00 0.52 0.08 0.00 0.00 0.00 0.00 44.72 45.31 3df7 s GLY 271 CO 0.00 0.90 0.19 1.85 0.00 0.00 0.00 173.10 176.04 3df7 s GLU 272 N -4.50 2.28 0.39 2.90 2.56 -1.26 -4.35 118.70 116.72 3df7 s GLU 272 Ca 0.66 -1.76 -0.27 0.00 0.00 0.00 0.00 54.97 53.60 3df7 s GLU 272 Cb -0.21 -2.06 -0.10 0.00 2.00 0.00 0.00 34.13 33.76 3df7 s GLU 272 CO 0.52 -0.08 1.40 0.08 -0.56 0.00 0.00 175.26 176.61 3df7 s VAL 273 N -2.56 2.32 -0.17 3.70 1.01 -1.26 -4.82 120.40 118.62 3df7 s VAL 273 Ca 0.41 0.30 0.19 0.00 0.00 0.00 0.00 61.98 62.88 3df7 s VAL 273 Cb 0.02 -3.19 -0.27 0.00 0.00 0.00 0.00 36.38 32.94 3df7 s VAL 273 CO 0.23 0.06 0.15 0.29 0.00 0.00 0.00 175.10 175.83 3df7 n LYS 274 N 0.31 0.68 -3.82 2.72 4.76 0.65 -5.05 118.16 118.42 3df7 n LYS 274 Ca 0.02 -0.05 -0.06 0.00 -2.87 0.00 0.00 58.31 55.36 3df7 n LYS 274 Cb 0.41 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 3df7 n LYS 274 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 3df7 s HIS 275 N -2.70 -0.05 -0.18 2.13 -3.43 -0.93 -4.99 115.29 105.14 3df7 s HIS 275 Ca -0.10 -0.41 -0.01 0.00 -0.80 0.00 0.00 55.06 53.74 3df7 s HIS 275 Cb 0.08 0.72 0.05 0.00 -1.43 0.00 0.00 32.58 32.00 3df7 s HIS 275 CO 0.85 -1.13 -0.01 0.08 -2.00 0.00 0.00 174.74 172.52 3df7 s VAL 276 N -3.00 0.83 -0.35 -5.38 1.01 -1.24 -3.97 120.40 108.31 3df7 s VAL 276 Ca 0.15 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 3df7 s VAL 276 Cb -0.04 -1.17 0.12 0.00 0.00 0.00 0.00 36.38 35.29 3df7 s VAL 276 CO 0.06 -0.04 0.17 -0.60 0.00 0.00 0.00 175.10 174.69 3df7 s ARG 277 N 1.73 0.74 0.05 2.72 3.52 0.11 -5.03 118.95 122.79 3df7 s ARG 277 Ca -0.01 -1.29 -0.37 0.00 -0.13 0.00 0.00 55.73 53.93 3df7 s ARG 277 Cb -0.16 -1.77 -0.16 0.00 -1.56 0.00 0.00 34.95 31.29 3df7 s ARG 277 CO -0.07 -1.09 1.45 -2.13 -0.81 0.00 0.00 175.30 172.64 3df7 n ARG 278 N 4.37 1.35 0.00 5.12 0.63 -1.26 -3.99 116.66 122.88 3df7 n ARG 278 Ca 0.04 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 3df7 n ARG 278 Cb 0.39 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 31.13 3df7 n ARG 278 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3df7 n GLN 279 N 3.17 3.93 -3.64 -0.14 1.13 0.10 -0.50 117.38 121.43 3df7 n GLN 279 Ca 0.19 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.19 3df7 n GLN 279 Cb 0.20 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.48 3df7 n GLN 279 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3df7 s VAL 281 N 2.22 0.00 -0.06 5.09 1.01 0.85 -0.81 120.40 128.70 3df7 s VAL 281 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 3df7 s VAL 281 Cb 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3df7 s VAL 281 CO 0.00 0.00 0.27 0.00 0.00 0.00 0.00 175.10 175.37 3df7 s ARG 282 N 1.23 0.48 -0.07 2.72 1.70 -0.55 -0.58 118.95 123.88 3df7 s ARG 282 Ca -0.07 0.06 -0.16 0.00 -0.47 0.00 0.00 55.73 55.09 3df7 s ARG 282 Cb -0.05 0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.50 3df7 s ARG 282 CO -0.14 -0.10 0.42 0.21 -1.08 0.00 0.00 175.30 174.61 3df7 s LYS 283 N -0.62 4.15 0.30 3.89 2.20 -0.72 -0.96 119.74 127.99 3df7 s LYS 283 Ca -0.07 0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 55.91 3df7 s LYS 283 Cb -0.04 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 32.95 3df7 s LYS 283 CO 0.02 0.40 0.41 -1.13 -0.36 0.00 0.00 175.35 174.69 3df7 n SER 284 N 2.85 -1.14 -4.33 1.43 3.41 0.09 -4.94 113.62 110.99 3df7 n SER 284 Ca -0.11 -2.60 -0.35 0.00 -0.26 0.00 0.00 58.87 55.56 3df7 n SER 284 Cb 0.52 2.13 -0.14 0.00 -0.26 0.00 0.00 64.21 66.46 3df7 n SER 284 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3df7 s LYS 285 N -2.68 3.40 -1.52 4.33 -0.14 -1.26 -0.63 119.74 121.24 3df7 s LYS 285 Ca 0.25 -0.62 -0.08 0.00 -1.36 0.00 0.00 55.97 54.15 3df7 s LYS 285 Cb -0.01 -2.98 0.07 0.00 -1.68 0.00 0.00 37.83 33.23 3df7 s LYS 285 CO 0.18 -0.15 0.64 0.43 -0.76 0.00 0.00 175.35 175.69 3df7 n SER 286 N 4.64 -2.04 -4.76 2.83 7.64 0.37 -4.91 113.62 117.39 3df7 n SER 286 Ca -0.18 -0.96 -0.38 0.00 1.01 0.00 0.00 58.87 58.36 3df7 n SER 286 Cb 0.51 -3.13 0.01 0.00 -1.01 0.00 0.00 64.21 60.59 3df7 n SER 286 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3df7 s ALA 287 N -3.62 2.97 0.21 -0.43 0.00 -1.26 -4.93 121.76 114.69 3df7 s ALA 287 Ca 0.35 1.14 -0.06 0.00 0.00 0.00 0.00 51.96 53.39 3df7 s ALA 287 Cb -0.19 -3.47 0.16 0.00 0.00 0.00 0.00 23.12 19.62 3df7 s ALA 287 CO 0.89 -0.96 1.64 1.49 0.00 0.00 0.00 175.76 178.82 3df7 h GLU 288 N 1.94 0.88 -2.47 0.00 4.81 -2.03 -3.36 114.58 114.34 3df7 h GLU 288 Ca -0.50 -0.32 -0.60 0.00 -0.13 0.00 0.00 59.36 57.81 3df7 h GLU 288 Cb 1.27 -0.06 -0.42 0.00 0.63 0.00 0.00 28.75 30.17 3df7 h GLU 288 CO 0.59 0.96 -0.63 1.63 -0.73 0.00 0.00 179.01 180.84 3df7 n LYS 289 N -4.14 2.14 -2.39 1.92 5.02 -1.26 -5.10 118.16 114.36 3df7 n LYS 289 Ca 0.01 -4.49 -0.25 0.00 -2.02 0.00 0.00 58.31 51.55 3df7 n LYS 289 Cb 0.40 -2.19 0.04 0.00 -0.02 0.00 0.00 35.03 33.26 3df7 n LYS 289 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3df7 s PRO 290 N -2.02 2.61 -0.12 1.97 0.04 -1.26 -4.76 135.00 131.47 3df7 s PRO 290 Ca 0.35 -0.22 -0.17 0.00 0.04 0.00 0.00 61.00 60.99 3df7 s PRO 290 Cb 0.09 -2.28 -0.26 0.00 0.04 0.00 0.00 34.50 32.09 3df7 s PRO 290 CO -0.07 -0.88 0.53 -0.92 0.04 0.00 0.00 177.00 175.70 3df7 h TYR 291 N -0.27 0.36 -3.48 0.56 3.20 -0.85 -3.49 116.97 113.00 3df7 h TYR 291 Ca -0.45 -0.26 -0.07 0.00 3.14 0.00 0.00 58.73 61.09 3df7 h TYR 291 Cb 1.28 -0.01 -0.14 0.00 1.54 0.00 0.00 36.73 39.40 3df7 h TYR 291 CO 0.41 1.51 -0.21 0.14 -1.64 0.00 0.00 178.16 178.36 3df7 s VAL 292 N -2.45 0.10 0.05 1.81 -7.23 -1.20 -5.03 120.40 106.45 3df7 s VAL 292 Ca -0.21 -0.78 0.02 0.00 -1.81 0.00 0.00 61.98 59.19 3df7 s VAL 292 Cb 0.04 -1.15 -0.03 0.00 0.56 0.00 0.00 36.38 35.80 3df7 s VAL 292 CO 0.74 -0.43 -0.07 -0.44 -0.31 0.00 0.00 175.10 174.59 3df7 s SER 293 N -2.59 0.81 -0.21 4.85 0.01 -1.26 -1.84 113.70 113.48 3df7 s SER 293 Ca 0.01 -0.63 -0.04 0.00 1.31 0.00 0.00 55.95 56.60 3df7 s SER 293 Cb 0.02 0.06 0.10 0.00 0.21 0.00 0.00 66.02 66.40 3df7 s SER 293 CO -0.09 -0.27 0.23 -0.69 0.41 0.00 0.00 173.24 172.83 3df7 s VAL 294 N -1.82 -0.33 0.00 3.43 1.01 -0.19 -4.98 120.40 117.52 3df7 s VAL 294 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3df7 s VAL 294 Cb -0.07 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.61 3df7 s VAL 294 CO -0.01 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.49 3df7 n GLY 295 N 5.32 2.66 0.63 4.51 0.00 -1.26 -1.47 105.19 115.58 3df7 n GLY 295 Ca -0.05 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.80 3df7 n GLY 295 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3df7 n ASP 296 N 5.21 1.93 -4.83 1.61 8.00 -1.26 -4.90 116.55 122.31 3df7 n ASP 296 Ca 0.00 -1.68 -0.38 0.00 0.71 0.00 0.00 54.79 53.44 3df7 n ASP 296 Cb 0.00 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 40.98 3df7 n ASP 296 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3df7 s TYR 297 N -1.88 3.70 0.07 1.24 2.02 -0.54 -0.48 117.35 121.48 3df7 s TYR 297 Ca 0.35 0.93 0.04 0.00 -0.37 0.00 0.00 57.07 58.03 3df7 s TYR 297 Cb 0.20 -2.27 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 3df7 s TYR 297 CO 0.30 0.62 -0.12 0.95 -1.57 0.00 0.00 175.55 175.73 3df7 s THR 298 N -0.96 0.98 -0.14 -0.71 -4.23 0.20 -1.02 115.64 109.77 3df7 s THR 298 Ca 0.23 -1.31 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 3df7 s THR 298 Cb -0.16 -1.02 0.01 0.00 1.34 0.00 0.00 72.50 72.68 3df7 s THR 298 CO 0.12 -0.30 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.50 3df7 s LEU 299 N -1.80 1.93 0.23 4.79 2.96 -0.76 -0.73 118.68 125.30 3df7 s LEU 299 Ca -0.03 -0.54 0.08 0.00 -0.22 0.00 0.00 54.13 53.43 3df7 s LEU 299 Cb -0.09 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 3df7 s LEU 299 CO 0.02 0.03 0.03 -1.61 -1.32 0.00 0.00 176.35 173.49 3df7 s GLU 300 N 1.04 2.42 -0.18 1.98 2.02 -0.13 -0.09 118.70 125.76 3df7 s GLU 300 Ca -0.03 -1.26 -0.04 0.00 0.02 0.00 0.00 54.97 53.65 3df7 s GLU 300 Cb -0.15 -2.28 0.06 0.00 0.10 0.00 0.00 34.13 31.86 3df7 s GLU 300 CO -0.05 0.40 0.06 0.42 0.02 0.00 0.00 175.26 176.11 3df7 s ILE 301 N -2.10 0.23 0.09 -1.63 1.01 -1.26 -1.49 121.20 116.05 3df7 s ILE 301 Ca 0.30 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.68 3df7 s ILE 301 Cb -0.08 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 3df7 s ILE 301 CO 0.20 -0.22 -0.17 0.27 0.00 0.00 0.00 174.94 175.03 3df7 s ILE 302 N 2.00 1.39 0.31 2.92 -4.36 -1.26 -4.99 121.20 117.21 3df7 s ILE 302 Ca 0.01 -1.49 -0.29 0.00 -0.26 0.00 0.00 60.65 58.62 3df7 s ILE 302 Cb -0.16 -1.35 -0.10 0.00 1.25 0.00 0.00 42.46 42.09 3df7 s ILE 302 CO -0.08 -0.20 1.37 -1.81 0.24 0.00 0.00 174.94 174.45 3df7 s ASP 303 N -1.96 6.69 -0.05 4.36 1.01 -1.26 -4.37 116.67 121.08 3df7 s ASP 303 Ca 0.04 2.72 0.06 0.00 0.71 0.00 0.00 52.55 56.08 3df7 s ASP 303 Cb -0.09 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.18 3df7 s ASP 303 CO 0.03 -0.63 -0.23 -0.22 0.21 0.00 0.00 175.17 174.33 3df7 s LEU 304 N -1.40 2.18 0.00 1.23 2.96 0.35 -4.96 118.68 119.04 3df7 s LEU 304 Ca 0.52 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 3df7 s LEU 304 Cb -0.41 -1.40 0.00 0.00 0.50 0.00 0.00 46.19 44.88 3df7 s LEU 304 CO 0.51 0.27 0.00 -0.90 -1.32 0.00 0.00 176.35 174.91