#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mv3 n TYR 3 N 0.00 2.16 0.29 1.24 0.18 -1.26 -4.51 117.16 115.27 3mv3 n TYR 3 Ca 0.00 -2.12 0.19 0.00 1.88 0.00 0.00 57.90 57.84 3mv3 n TYR 3 Cb 0.00 -1.29 0.82 0.00 -0.38 0.00 0.00 39.34 38.49 3mv3 n TYR 3 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3mv3 h PHE 4 N 2.89 0.00 0.16 -3.48 3.57 -1.98 -2.62 116.94 115.48 3mv3 h PHE 4 Ca 0.46 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.95 3mv3 h PHE 4 Cb 0.48 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3mv3 h PHE 4 CO 1.33 0.00 -0.08 -0.91 -2.23 0.00 0.00 178.31 176.42 3mv3 h ASN 5 N 0.00 -0.18 -0.84 0.41 2.35 -1.97 0.25 115.58 115.60 3mv3 h ASN 5 Ca 0.00 -0.36 0.11 0.00 -0.55 0.00 0.00 56.30 55.50 3mv3 h ASN 5 Cb 0.38 0.05 -0.08 0.00 0.05 0.00 0.00 38.32 38.72 3mv3 h ASN 5 CO 0.00 0.36 0.47 0.40 -1.65 0.00 0.00 177.43 177.01 3mv3 h ILE 6 N -0.82 0.87 0.54 2.81 5.03 -1.77 -0.58 117.51 123.59 3mv3 h ILE 6 Ca -0.02 -0.26 -0.03 0.00 -0.12 0.00 0.00 64.86 64.43 3mv3 h ILE 6 Cb 0.53 0.04 0.01 0.00 -3.03 0.00 0.00 36.82 34.37 3mv3 h ILE 6 CO 0.04 0.14 -0.26 0.11 -0.68 0.00 0.00 178.15 177.49 3mv3 h LYS 7 N 0.76 -0.70 0.00 2.37 1.57 -1.51 -2.43 116.57 116.63 3mv3 h LYS 7 Ca 0.42 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3mv3 h LYS 7 Cb 0.44 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3mv3 h LYS 7 CO -0.28 -0.42 0.30 0.37 -0.57 0.00 0.00 179.45 178.85 3mv3 h GLN 8 N -1.13 0.00 0.00 3.15 4.15 -0.58 0.39 115.11 121.09 3mv3 h GLN 8 Ca -0.07 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.27 3mv3 h GLN 8 Cb 0.60 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 3mv3 h GLN 8 CO 0.12 0.00 -1.28 0.09 -1.93 0.00 0.00 178.83 175.83 3mv3 n ASN 9 N -2.69 0.77 0.03 -0.69 3.02 -0.26 -3.84 115.26 111.60 3mv3 n ASN 9 Ca -0.02 0.31 -0.09 0.00 -0.03 0.00 0.00 54.58 54.76 3mv3 n ASN 9 Cb 0.34 0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 39.92 3mv3 n ASN 9 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3mv3 h TYR 10 N 0.00 -0.17 0.00 3.10 3.20 0.27 -2.99 116.97 120.38 3mv3 h TYR 10 Ca -0.08 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3mv3 h TYR 10 Cb 1.26 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.59 3mv3 h TYR 10 CO 0.00 0.22 0.00 0.66 -1.64 0.00 0.00 178.16 177.40 3mv3 n TYR 11 N -4.88 0.00 0.08 -3.82 4.02 -0.91 -1.46 117.16 110.19 3mv3 n TYR 11 Ca -0.06 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.89 3mv3 n TYR 11 Cb 0.23 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.46 3mv3 n TYR 11 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3mv3 n THR 12 N -1.00 0.00 0.00 -0.72 -2.24 -1.23 -5.01 114.28 104.08 3mv3 n THR 12 Ca 0.08 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3mv3 n THR 12 Cb 0.04 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3mv3 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mv3 n GLY 13 N 1.69 0.50 3.30 3.38 0.00 -0.54 -3.81 105.19 109.71 3mv3 n GLY 13 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 3mv3 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mv3 s ASN 14 N -2.43 6.57 0.32 1.61 4.22 -1.14 -4.73 114.94 119.36 3mv3 s ASN 14 Ca 0.00 -2.77 0.09 0.00 -2.14 0.00 0.00 52.86 48.04 3mv3 s ASN 14 Cb 0.00 -2.16 0.54 0.00 1.28 0.00 0.00 41.25 40.91 3mv3 s ASN 14 CO 0.00 -0.53 1.74 -0.26 -2.04 0.00 0.00 177.10 176.01 3mv3 h PHE 15 N 7.61 0.17 -0.68 1.54 -1.00 -1.91 0.97 116.94 123.64 3mv3 h PHE 15 Ca 0.10 -0.04 0.06 0.00 2.81 0.00 0.00 57.97 60.90 3mv3 h PHE 15 Cb 1.02 -0.04 -0.09 0.00 3.61 0.00 0.00 35.95 40.45 3mv3 h PHE 15 CO 0.98 0.53 -0.49 0.28 -1.61 0.00 0.00 178.31 178.01 3mv3 h VAL 16 N 0.13 0.00 -0.06 -0.55 2.07 -1.94 0.09 116.25 115.98 3mv3 h VAL 16 Ca 0.01 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 3mv3 h VAL 16 Cb 0.77 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3mv3 h VAL 16 CO 0.06 0.00 -0.43 -0.61 0.02 0.00 0.00 177.57 176.61 3mv3 h GLN 17 N -0.12 0.40 -1.00 1.57 4.15 -1.89 -3.24 115.11 114.98 3mv3 h GLN 17 Ca 0.11 -0.35 0.33 0.00 0.77 0.00 0.00 58.65 59.51 3mv3 h GLN 17 Cb 0.40 0.08 -0.15 0.00 0.21 0.00 0.00 27.48 28.02 3mv3 h GLN 17 CO -0.70 1.00 0.55 0.00 -1.93 0.00 0.00 178.83 177.75 3mv3 h LEU 19 N 0.30 0.12 -1.27 0.00 6.46 -1.04 -2.67 115.31 117.20 3mv3 h LEU 19 Ca 0.74 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 3mv3 h LEU 19 Cb 1.69 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.59 3mv3 h LEU 19 CO -0.62 0.47 0.00 0.00 -0.62 0.00 0.00 178.44 177.66 3mv3 n GLN 20 N -4.82 0.16 0.10 1.25 6.02 0.43 -0.58 117.38 119.94 3mv3 n GLN 20 Ca -0.07 0.58 0.12 0.00 -0.01 0.00 0.00 57.00 57.63 3mv3 n GLN 20 Cb 0.22 -1.95 0.23 0.00 1.02 0.00 0.00 30.24 29.76 3mv3 n GLN 20 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3mv3 h GLU 21 N 0.00 0.00 0.00 -1.09 4.39 -0.90 -3.21 114.58 113.77 3mv3 h GLU 21 Ca 0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 3mv3 h GLU 21 Cb 0.10 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 3mv3 h GLU 21 CO 0.00 0.00 -2.05 -0.89 -1.16 0.00 0.00 179.01 174.91 3mv3 n ILE 22 N -2.36 0.59 0.06 3.13 5.41 0.25 -3.97 119.36 122.47 3mv3 n ILE 22 Ca 0.04 -0.64 0.04 0.00 1.00 0.00 0.00 62.75 63.19 3mv3 n ILE 22 Cb 0.46 -0.23 0.44 0.00 -0.71 0.00 0.00 39.64 39.61 3mv3 n ILE 22 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3mv3 h GLU 23 N 0.00 0.41 -0.26 0.38 4.39 -1.07 -1.59 114.58 116.83 3mv3 h GLU 23 Ca -0.20 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.52 3mv3 h GLU 23 Cb 1.48 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 3mv3 h GLU 23 CO 0.01 0.32 0.18 0.87 -1.16 0.00 0.00 179.01 179.24 3mv3 h LYS 24 N 0.42 0.10 -1.97 2.33 1.57 -1.68 -2.88 116.57 114.45 3mv3 h LYS 24 Ca 0.11 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.57 3mv3 h LYS 24 Cb 0.04 -0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.21 3mv3 h LYS 24 CO -0.02 0.06 0.00 1.19 -0.57 0.00 0.00 179.45 180.12 3mv3 n PHE 25 N -4.48 0.75 -0.08 -1.35 3.01 -0.60 -4.95 117.46 109.77 3mv3 n PHE 25 Ca 0.03 -1.68 -0.03 0.00 1.01 0.00 0.00 57.45 56.78 3mv3 n PHE 25 Cb 0.27 -1.41 -0.01 0.00 -0.01 0.00 0.00 39.48 38.32 3mv3 n PHE 25 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3mv3 n SER 26 N 1.64 0.03 -3.10 4.37 7.64 -1.09 -2.11 113.62 120.99 3mv3 n SER 26 Ca 0.42 0.02 -0.12 0.00 1.01 0.00 0.00 58.87 60.20 3mv3 n SER 26 Cb 0.72 -0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.84 3mv3 n SER 26 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3mv3 n LYS 27 N 0.44 -0.97 -3.21 1.43 4.81 -1.26 -4.91 118.16 114.49 3mv3 n LYS 27 Ca 0.03 0.04 -0.46 0.00 -0.87 0.00 0.00 58.31 57.05 3mv3 n LYS 27 Cb 0.00 -1.36 -0.02 0.00 0.02 0.00 0.00 35.03 33.67 3mv3 n LYS 27 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3mv3 s VAL 28 N -3.31 5.32 -0.25 3.15 1.01 -0.90 -5.01 120.40 120.41 3mv3 s VAL 28 Ca 0.04 -2.10 -0.28 0.00 0.00 0.00 0.00 61.98 59.63 3mv3 s VAL 28 Cb -0.02 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 3mv3 s VAL 28 CO 0.37 -1.15 2.13 -0.89 0.00 0.00 0.00 175.10 175.56 3mv3 s THR 29 N 1.04 3.11 0.00 3.92 2.01 -1.26 -4.93 115.64 119.53 3mv3 s THR 29 Ca 0.21 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.35 3mv3 s THR 29 Cb -0.10 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 3mv3 s THR 29 CO -0.08 -0.09 -0.11 -0.62 -0.69 0.00 0.00 174.62 173.03 3mv3 s ASP 30 N 7.90 1.34 0.17 3.53 -1.08 -1.26 -5.06 116.67 122.20 3mv3 s ASP 30 Ca 0.96 -0.27 -0.14 0.00 -0.52 0.00 0.00 52.55 52.58 3mv3 s ASP 30 Cb -0.30 -0.13 0.12 0.00 -1.46 0.00 0.00 42.92 41.15 3mv3 s ASP 30 CO 0.35 0.10 1.75 0.78 0.52 0.00 0.00 175.17 178.66 3mv3 h ASN 31 N 5.61 0.15 -0.52 -0.34 2.35 -1.99 -0.58 115.58 120.26 3mv3 h ASN 31 Ca -0.33 0.05 0.06 0.00 -0.55 0.00 0.00 56.30 55.53 3mv3 h ASN 31 Cb 1.18 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 39.53 3mv3 h ASN 31 CO 0.48 0.12 0.22 0.74 -1.65 0.00 0.00 177.43 177.34 3mv3 h THR 32 N 0.31 0.88 -0.79 2.81 2.02 -1.99 0.16 112.91 116.31 3mv3 h THR 32 Ca 0.20 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.27 3mv3 h THR 32 Cb 0.20 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 3mv3 h THR 32 CO -0.21 0.08 0.51 -0.07 0.37 0.00 0.00 175.52 176.20 3mv3 h LEU 33 N 0.42 0.84 0.47 2.58 3.38 -1.78 -2.35 115.31 118.87 3mv3 h LEU 33 Ca 0.24 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3mv3 h LEU 33 Cb 0.22 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3mv3 h LEU 33 CO -0.21 0.58 -0.23 0.25 0.09 0.00 0.00 178.44 178.92 3mv3 h LEU 34 N 0.99 -0.53 -0.24 1.67 6.46 0.13 -0.43 115.31 123.36 3mv3 h LEU 34 Ca 0.31 -0.06 0.02 0.00 -0.12 0.00 0.00 57.88 58.04 3mv3 h LEU 34 Cb 0.00 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 3mv3 h LEU 34 CO -0.11 -0.26 -0.16 0.15 -0.62 0.00 0.00 178.44 177.44 3mv3 h PHE 35 N -0.80 -0.51 -0.62 1.25 3.57 -0.59 0.59 116.94 119.83 3mv3 h PHE 35 Ca -0.06 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.49 3mv3 h PHE 35 Cb 0.56 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 3mv3 h PHE 35 CO -0.01 -0.11 0.41 1.88 -2.23 0.00 0.00 178.31 178.25 3mv3 h TYR 36 N -0.02 0.73 0.46 0.41 -1.99 -1.47 0.22 116.97 115.30 3mv3 h TYR 36 Ca 0.04 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 3mv3 h TYR 36 Cb 0.12 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.61 3mv3 h TYR 36 CO -0.89 0.44 -0.22 -0.22 -0.00 0.00 0.00 178.16 177.27 3mv3 h LYS 37 N 0.77 -0.60 -0.38 4.88 3.64 0.26 0.19 116.57 125.34 3mv3 h LYS 37 Ca 0.24 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.74 3mv3 h LYS 37 Cb 0.01 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 31.88 3mv3 h LYS 37 CO -0.06 -0.33 -0.18 0.00 -2.27 0.00 0.00 179.45 176.61 3mv3 h ALA 38 N -0.31 0.11 -0.81 5.00 0.00 0.57 0.19 119.26 124.00 3mv3 h ALA 38 Ca -0.06 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3mv3 h ALA 38 Cb 0.55 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3mv3 h ALA 38 CO 0.10 -0.55 0.36 0.87 0.00 0.00 0.00 179.25 180.03 3mv3 h LYS 39 N -0.11 1.18 -0.15 0.00 1.57 -0.42 -0.09 116.57 118.55 3mv3 h LYS 39 Ca 0.19 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 3mv3 h LYS 39 Cb 0.40 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3mv3 h LYS 39 CO -0.45 0.93 -0.60 1.15 -0.57 0.00 0.00 179.45 179.91 3mv3 h THR 40 N 1.16 1.34 -0.82 -0.16 2.02 0.01 -1.18 112.91 115.28 3mv3 h THR 40 Ca 0.27 -1.89 -0.00 0.00 0.77 0.00 0.00 66.41 65.56 3mv3 h THR 40 Cb 0.16 1.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 3mv3 h THR 40 CO -0.03 0.58 0.51 -0.07 0.37 0.00 0.00 175.52 176.88 3mv3 h LEU 41 N 0.37 0.97 -0.41 2.58 -0.00 -0.12 -1.44 115.31 117.26 3mv3 h LEU 41 Ca -0.00 -0.05 -0.10 0.00 -0.00 0.00 0.00 57.88 57.72 3mv3 h LEU 41 Cb 1.14 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.55 3mv3 h LEU 41 CO 0.11 0.74 -0.14 0.25 -0.00 0.00 0.00 178.44 179.40 3mv3 h LEU 42 N 1.12 0.83 -0.06 1.67 7.12 -0.78 -2.57 115.31 122.64 3mv3 h LEU 42 Ca 0.30 -0.38 0.00 0.00 0.13 0.00 0.00 57.88 57.93 3mv3 h LEU 42 Cb -0.07 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 39.83 3mv3 h LEU 42 CO -0.06 1.02 0.00 0.00 -0.13 0.00 0.00 178.44 179.27 3mv3 n ALA 43 N -2.47 1.28 -4.28 1.25 0.00 -0.47 -4.76 120.51 111.07 3mv3 n ALA 43 Ca -0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 3mv3 n ALA 43 Cb 0.39 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 3mv3 n ALA 43 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mv3 n LEU 44 N -1.54 0.00 -0.22 0.00 4.77 -0.61 -4.61 117.00 114.79 3mv3 n LEU 44 Ca 0.01 -1.53 0.20 0.00 -0.03 0.00 0.00 56.01 54.66 3mv3 n LEU 44 Cb 0.07 0.15 0.37 0.00 -2.33 0.00 0.00 43.42 41.68 3mv3 n LEU 44 CO 0.06 -0.25 0.68 0.61 -1.33 0.00 0.00 177.39 177.17 3mv3 n GLY 45 N 2.01 -0.55 3.63 -0.72 0.00 -1.26 -4.51 105.19 103.78 3mv3 n GLY 45 Ca -0.09 0.55 -0.08 0.00 0.00 0.00 0.00 46.02 46.40 3mv3 n GLY 45 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mv3 s GLN 46 N -5.09 0.42 0.19 1.61 -2.07 -1.25 -5.11 119.66 108.36 3mv3 s GLN 46 Ca -0.06 0.42 -0.09 0.00 -1.82 0.00 0.00 55.36 53.81 3mv3 s GLN 46 Cb 0.22 0.20 -0.07 0.00 -1.09 0.00 0.00 33.01 32.28 3mv3 s GLN 46 CO 0.52 -0.07 0.50 -0.47 -1.32 0.00 0.00 175.29 174.46 3mv3 s TYR 47 N -0.02 3.46 -0.35 9.60 5.04 -1.14 -4.65 117.35 129.30 3mv3 s TYR 47 Ca 0.03 0.82 -0.00 0.00 -2.44 0.00 0.00 57.07 55.48 3mv3 s TYR 47 Cb -0.04 -2.21 0.13 0.00 0.35 0.00 0.00 41.96 40.19 3mv3 s TYR 47 CO -0.07 0.34 0.20 -0.65 -1.34 0.00 0.00 175.55 174.02 3mv3 s GLN 48 N -2.63 0.57 -0.44 4.97 -1.52 -1.26 -5.00 119.66 114.34 3mv3 s GLN 48 Ca 0.44 -1.25 -0.43 0.00 -1.95 0.00 0.00 55.36 52.16 3mv3 s GLN 48 Cb -0.12 -1.41 -0.18 0.00 -0.22 0.00 0.00 33.01 31.09 3mv3 s GLN 48 CO 0.21 -1.17 1.89 -1.13 -0.25 0.00 0.00 175.29 174.84 3mv3 n SER 49 N 4.22 1.36 0.10 5.90 3.41 -1.26 -4.80 113.62 122.55 3mv3 n SER 49 Ca 0.08 0.90 -0.23 0.00 -0.26 0.00 0.00 58.87 59.36 3mv3 n SER 49 Cb 0.38 -0.98 -0.15 0.00 -0.26 0.00 0.00 64.21 63.20 3mv3 n SER 49 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3mv3 h GLN 50 N 7.65 0.43 -2.68 4.33 4.20 -1.98 -3.45 115.11 123.61 3mv3 h GLN 50 Ca -0.30 -0.74 -0.14 0.00 0.06 0.00 0.00 58.65 57.52 3mv3 h GLN 50 Cb 1.37 0.28 -0.29 0.00 0.30 0.00 0.00 27.48 29.14 3mv3 h GLN 50 CO 1.02 1.35 -0.40 0.16 -0.67 0.00 0.00 178.83 180.29 3mv3 s ASP 51 N -7.35 -0.16 -0.02 1.46 -4.77 -1.26 -4.96 116.67 99.61 3mv3 s ASP 51 Ca -0.13 0.82 0.07 0.00 -3.30 0.00 0.00 52.55 50.02 3mv3 s ASP 51 Cb 0.04 0.95 0.24 0.00 -1.09 0.00 0.00 42.92 43.06 3mv3 s ASP 51 CO 0.89 -0.22 1.12 -0.81 0.70 0.00 0.00 175.17 176.85 3mv3 n PRO 52 N 5.00 1.79 0.06 2.11 -0.04 -1.26 -3.75 135.00 138.91 3mv3 n PRO 52 Ca -0.13 -0.97 -0.21 0.00 -0.04 0.00 0.00 63.50 62.15 3mv3 n PRO 52 Cb 0.51 -1.35 -0.15 0.00 -0.04 0.00 0.00 33.50 32.48 3mv3 n PRO 52 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3mv3 h THR 53 N 1.48 1.45 -2.73 0.52 2.02 -1.93 -3.40 112.91 110.31 3mv3 h THR 53 Ca 0.00 -2.54 -0.53 0.00 0.77 0.00 0.00 66.41 64.10 3mv3 h THR 53 Cb 0.52 3.15 0.02 0.00 -1.74 0.00 0.00 68.15 70.10 3mv3 h THR 53 CO 0.04 0.73 0.96 -0.44 0.37 0.00 0.00 175.52 177.18 3mv3 s SER 54 N -7.04 6.62 0.00 4.18 0.01 -1.25 -4.82 113.70 111.39 3mv3 s SER 54 Ca -0.14 2.48 -0.02 0.00 1.31 0.00 0.00 55.95 59.59 3mv3 s SER 54 Cb 0.01 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 3mv3 s SER 54 CO 0.84 -0.86 1.59 0.29 0.41 0.00 0.00 173.24 175.51 3mv3 n LYS 55 N 5.25 0.79 0.20 12.44 5.02 -1.26 0.69 118.16 141.28 3mv3 n LYS 55 Ca 0.15 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 3mv3 n LYS 55 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3mv3 n LYS 55 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3mv3 n LEU 56 N 2.25 -3.29 0.30 -0.35 7.94 -1.26 -4.83 117.00 117.76 3mv3 n LEU 56 Ca 0.11 0.76 0.18 0.00 -1.11 0.00 0.00 56.01 55.96 3mv3 n LEU 56 Cb 0.37 3.12 0.91 0.00 0.53 0.00 0.00 43.42 48.35 3mv3 n LEU 56 CO 0.09 0.08 1.07 1.23 -1.11 0.00 0.00 177.39 178.75 3mv3 h GLY 57 N 0.00 0.00 2.00 -3.96 0.00 -1.51 0.21 103.07 99.81 3mv3 h GLY 57 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3mv3 h GLY 57 CO 0.00 0.00 -0.58 1.70 0.00 0.00 0.00 176.54 177.66 3mv3 h LYS 58 N 0.00 0.00 0.10 4.80 3.64 0.17 -2.86 116.57 122.43 3mv3 h LYS 58 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3mv3 h LYS 58 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3mv3 h LYS 58 CO 0.00 0.58 -0.05 0.28 -2.27 0.00 0.00 179.45 178.00 3mv3 h VAL 59 N 0.00 1.11 -0.83 2.00 2.07 -0.81 -3.04 116.25 116.76 3mv3 h VAL 59 Ca -0.01 -1.12 0.21 0.00 0.82 0.00 0.00 66.70 66.60 3mv3 h VAL 59 Cb 1.27 1.79 -0.13 0.00 -1.52 0.00 0.00 31.29 32.70 3mv3 h VAL 59 CO 0.08 0.26 0.20 -0.07 0.02 0.00 0.00 177.57 178.05 3mv3 h LEU 60 N -0.69 -0.03 -0.42 2.57 3.38 -1.12 0.39 115.31 119.39 3mv3 h LEU 60 Ca -0.01 0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.21 3mv3 h LEU 60 Cb 0.53 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 3mv3 h LEU 60 CO 0.02 -0.12 0.06 0.44 0.09 0.00 0.00 178.44 178.93 3mv3 h ASP 61 N 0.22 -0.05 0.22 -0.43 5.19 -1.50 -0.56 116.42 119.52 3mv3 h ASP 61 Ca 0.50 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.99 3mv3 h ASP 61 Cb 0.95 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 3mv3 h ASP 61 CO -0.61 0.01 -0.22 -0.07 -3.12 0.00 0.00 179.24 175.23 3mv3 h LEU 62 N 0.18 -0.59 -0.62 1.55 3.38 -0.28 -1.07 115.31 117.86 3mv3 h LEU 62 Ca 0.21 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.36 3mv3 h LEU 62 Cb 0.27 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.11 3mv3 h LEU 62 CO -0.29 -0.32 -0.08 0.22 0.09 0.00 0.00 178.44 178.05 3mv3 h TYR 63 N -0.47 -0.20 -0.41 1.13 3.20 -0.04 0.74 116.97 120.92 3mv3 h TYR 63 Ca -0.00 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 3mv3 h TYR 63 Cb 0.44 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3mv3 h TYR 63 CO -0.16 -0.22 -0.09 0.28 -1.64 0.00 0.00 178.16 176.33 3mv3 h VAL 64 N 0.05 1.27 -0.61 1.81 2.07 -0.86 -0.13 116.25 119.85 3mv3 h VAL 64 Ca 0.31 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.66 3mv3 h VAL 64 Cb 0.50 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3mv3 h VAL 64 CO -0.59 0.40 0.41 -0.61 0.02 0.00 0.00 177.57 177.19 3mv3 h GLN 65 N 0.61 0.80 0.22 1.57 4.15 -0.03 -1.69 115.11 120.74 3mv3 h GLN 65 Ca 0.11 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.48 3mv3 h GLN 65 Cb 0.61 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 3mv3 h GLN 65 CO 0.04 0.53 -0.25 0.35 -1.93 0.00 0.00 178.83 177.57 3mv3 h PHE 66 N 0.82 -0.66 -0.43 3.99 3.57 0.14 -1.93 116.94 122.44 3mv3 h PHE 66 Ca 0.23 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.86 3mv3 h PHE 66 Cb -0.08 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3mv3 h PHE 66 CO -0.00 -0.36 0.63 -0.07 -2.23 0.00 0.00 178.31 176.27 3mv3 h LEU 67 N -0.51 0.00 -2.78 0.59 4.07 -0.10 0.29 115.31 116.87 3mv3 h LEU 67 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 3mv3 h LEU 67 Cb 0.49 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 3mv3 h LEU 67 CO -0.08 0.00 0.02 0.47 -1.08 0.00 0.00 178.44 177.78 3mv3 n ASP 68 N -3.35 4.21 0.00 -0.43 8.00 -0.73 -4.91 116.55 119.34 3mv3 n ASP 68 Ca 0.08 -2.66 0.00 0.00 0.71 0.00 0.00 54.79 52.92 3mv3 n ASP 68 Cb 0.79 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 3mv3 n ASP 68 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3mv3 n THR 69 N 0.37 0.00 -2.14 -3.53 -2.24 0.10 -5.05 114.28 101.80 3mv3 n THR 69 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 3mv3 n THR 69 Cb 0.92 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3mv3 n THR 69 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3mv3 n LYS 70 N 0.00 0.00 -3.61 -0.78 5.02 -1.25 -4.97 118.16 112.56 3mv3 n LYS 70 Ca 0.00 -1.10 -0.40 0.00 -2.02 0.00 0.00 58.31 54.78 3mv3 n LYS 70 Cb 0.00 -0.17 -0.11 0.00 -0.02 0.00 0.00 35.03 34.73 3mv3 n LYS 70 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3mv3 s ASN 71 N -1.10 5.68 -0.04 4.39 4.22 -1.26 -4.89 114.94 121.94 3mv3 s ASN 71 Ca 0.09 -0.94 0.08 0.00 -2.14 0.00 0.00 52.86 49.95 3mv3 s ASN 71 Cb 0.11 -2.01 0.30 0.00 1.28 0.00 0.00 41.25 40.93 3mv3 s ASN 71 CO -0.05 -0.36 1.14 2.30 -2.04 0.00 0.00 177.10 178.10 3mv3 n ILE 72 N 4.98 0.70 0.00 0.54 -6.64 -1.26 -4.69 119.36 113.00 3mv3 n ILE 72 Ca -0.12 -0.48 0.00 0.00 -1.77 0.00 0.00 62.75 60.38 3mv3 n ILE 72 Cb 0.46 -0.04 0.00 0.00 -1.44 0.00 0.00 39.64 38.62 3mv3 n ILE 72 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3mv3 n GLU 73 N 0.34 0.00 -0.37 6.28 -0.58 -1.26 0.75 120.64 125.81 3mv3 n GLU 73 Ca 0.11 0.00 0.31 0.00 -0.42 0.00 0.00 57.16 57.16 3mv3 n GLU 73 Cb 0.41 -0.25 0.62 0.00 -0.57 0.00 0.00 31.44 31.65 3mv3 n GLU 73 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3mv3 h GLU 74 N 0.00 0.19 0.00 3.49 5.08 -1.97 0.72 114.58 122.09 3mv3 h GLU 74 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3mv3 h GLU 74 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3mv3 h GLU 74 CO 0.00 0.13 0.00 -0.11 -1.00 0.00 0.00 179.01 178.03 3mv3 n LEU 75 N -4.49 0.00 -0.20 1.33 0.00 -1.17 -0.35 117.00 112.11 3mv3 n LEU 75 Ca 0.29 0.98 -0.02 0.00 0.00 0.00 0.00 56.01 57.26 3mv3 n LEU 75 Cb 1.16 -0.49 0.18 0.00 0.00 0.00 0.00 43.42 44.27 3mv3 n LEU 75 CO 0.29 -0.49 1.10 -0.08 0.00 0.00 0.00 177.39 178.21 3mv3 h GLU 76 N 0.00 0.98 0.81 1.96 4.81 0.13 -3.15 114.58 120.12 3mv3 h GLU 76 Ca 0.00 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 3mv3 h GLU 76 Cb 0.00 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.20 3mv3 h GLU 76 CO 0.00 0.76 -0.41 -0.97 -0.73 0.00 0.00 179.01 177.67 3mv3 h ASN 77 N 0.98 -0.97 0.00 1.04 -1.24 0.41 0.10 115.58 115.90 3mv3 h ASN 77 Ca 0.24 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.29 3mv3 h ASN 77 Cb 0.11 0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.41 3mv3 h ASN 77 CO -0.03 -0.68 0.00 0.18 -1.29 0.00 0.00 177.43 175.61 3mv3 n LEU 78 N -5.57 2.61 0.00 0.34 4.77 0.52 -3.51 117.00 116.16 3mv3 n LEU 78 Ca -0.15 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 3mv3 n LEU 78 Cb 0.45 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3mv3 n LEU 78 CO 0.39 0.46 0.00 -0.11 -1.33 0.00 0.00 177.39 176.80 3mv3 n LEU 79 N 1.02 0.00 -4.75 2.23 0.00 -1.10 -5.01 117.00 109.39 3mv3 n LEU 79 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.67 3mv3 n LEU 79 Cb 0.34 0.14 0.05 0.00 0.00 0.00 0.00 43.42 43.95 3mv3 n LEU 79 CO 0.00 -0.24 0.79 -0.54 0.00 0.00 0.00 177.39 177.40 3mv3 s LYS 80 N -1.47 2.74 0.00 1.96 -0.14 0.00 -3.39 119.74 119.44 3mv3 s LYS 80 Ca 0.00 1.65 0.00 0.00 -1.36 0.00 0.00 55.97 56.26 3mv3 s LYS 80 Cb 0.00 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 34.23 3mv3 s LYS 80 CO 0.00 -1.35 0.00 -0.25 -0.76 0.00 0.00 175.35 172.99 3mv3 n ASP 81 N -2.11 -2.75 -3.70 2.83 8.00 -1.26 -4.98 116.55 112.57 3mv3 n ASP 81 Ca 0.12 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.49 3mv3 n ASP 81 Cb 0.51 -0.46 -0.14 0.00 -0.02 0.00 0.00 41.12 41.01 3mv3 n ASP 81 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3mv3 s LYS 82 N -0.13 0.15 0.16 -1.24 -2.85 -1.22 -5.12 119.74 109.49 3mv3 s LYS 82 Ca 0.00 0.58 -0.32 0.00 -1.00 0.00 0.00 55.97 55.23 3mv3 s LYS 82 Cb 0.00 -0.12 -0.11 0.00 -2.06 0.00 0.00 37.83 35.53 3mv3 s LYS 82 CO 0.00 -0.22 1.79 1.04 0.10 0.00 0.00 175.35 178.06 3mv3 n GLN 83 N 4.72 2.79 -4.24 1.78 6.02 -1.26 -5.00 117.38 122.19 3mv3 n GLN 83 Ca -0.17 1.01 -0.13 0.00 -0.01 0.00 0.00 57.00 57.70 3mv3 n GLN 83 Cb 0.51 -2.88 -0.10 0.00 1.02 0.00 0.00 30.24 28.79 3mv3 n GLN 83 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3mv3 s ASN 84 N 1.99 0.75 0.89 1.08 6.03 -1.26 -5.16 114.94 119.25 3mv3 s ASN 84 Ca 0.79 -1.31 -0.11 0.00 -1.03 0.00 0.00 52.86 51.20 3mv3 s ASN 84 Cb -0.49 0.24 0.13 0.00 -3.03 0.00 0.00 41.25 38.10 3mv3 s ASN 84 CO 0.35 -0.73 1.16 -0.55 -2.03 0.00 0.00 177.10 175.31 3mv3 s SER 85 N -3.19 3.06 0.09 3.54 0.15 -1.26 -4.85 113.70 111.24 3mv3 s SER 85 Ca 0.33 2.24 -0.17 0.00 0.70 0.00 0.00 55.95 59.05 3mv3 s SER 85 Cb 0.07 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.73 3mv3 s SER 85 CO 0.09 -3.01 1.47 1.55 1.20 0.00 0.00 173.24 174.53 3mv3 h PRO 86 N -1.64 0.58 -0.79 5.44 0.13 -1.88 -1.48 132.00 132.36 3mv3 h PRO 86 Ca -0.44 -0.25 0.17 0.00 -0.87 0.00 0.00 66.00 64.61 3mv3 h PRO 86 Cb 1.28 -0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.28 3mv3 h PRO 86 CO 0.43 0.81 0.29 1.88 -0.23 0.00 0.00 178.00 181.18 3mv3 h TYR 87 N 0.33 0.48 0.48 1.56 -1.99 -1.85 0.94 116.97 116.92 3mv3 h TYR 87 Ca 0.07 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 3mv3 h TYR 87 Cb 0.63 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.27 3mv3 h TYR 87 CO 0.06 -0.01 -0.23 0.93 -0.00 0.00 0.00 178.16 178.91 3mv3 h GLU 88 N 0.39 -0.62 -0.32 4.88 5.08 -1.87 -3.08 114.58 119.03 3mv3 h GLU 88 Ca 0.45 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.93 3mv3 h GLU 88 Cb 0.77 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.07 3mv3 h GLU 88 CO -0.47 -0.37 -0.27 -0.07 -1.00 0.00 0.00 179.01 176.84 3mv3 h LEU 89 N -0.74 -0.87 -0.81 1.33 3.38 0.35 -2.33 115.31 115.62 3mv3 h LEU 89 Ca -0.07 0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.19 3mv3 h LEU 89 Cb 0.54 0.42 -0.13 0.00 0.09 0.00 0.00 40.66 41.58 3mv3 h LEU 89 CO 0.11 -0.29 -0.32 0.00 0.09 0.00 0.00 178.44 178.03 3mv3 n TYR 90 N -5.40 0.02 -0.32 1.13 9.36 0.30 0.50 117.16 122.75 3mv3 n TYR 90 Ca 0.00 1.00 -0.00 0.00 3.32 0.00 0.00 57.90 62.22 3mv3 n TYR 90 Cb 0.31 -0.80 0.17 0.00 -0.63 0.00 0.00 39.34 38.39 3mv3 n TYR 90 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3mv3 h LEU 91 N 0.00 1.04 0.59 2.98 3.38 -1.37 -1.78 115.31 120.14 3mv3 h LEU 91 Ca 0.28 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 3mv3 h LEU 91 Cb 0.48 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.99 3mv3 h LEU 91 CO -0.81 0.74 -0.29 0.25 0.09 0.00 0.00 178.44 178.42 3mv3 h LEU 92 N 1.22 -0.68 -0.64 1.67 6.46 0.13 -1.08 115.31 122.40 3mv3 h LEU 92 Ca 0.35 -0.03 0.13 0.00 -0.12 0.00 0.00 57.88 58.20 3mv3 h LEU 92 Cb -0.08 0.17 -0.12 0.00 -0.73 0.00 0.00 40.66 39.90 3mv3 h LEU 92 CO -0.09 -0.33 -0.16 0.00 -0.62 0.00 0.00 178.44 177.25 3mv3 h ALA 93 N -0.85 0.42 0.23 1.25 0.00 -1.06 0.57 119.26 119.81 3mv3 h ALA 93 Ca -0.08 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3mv3 h ALA 93 Cb 0.67 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3mv3 h ALA 93 CO 0.13 -0.43 -0.32 1.15 0.00 0.00 0.00 179.25 179.79 3mv3 h THR 94 N -0.00 0.32 -0.30 0.00 2.02 -1.30 0.42 112.91 114.08 3mv3 h THR 94 Ca 0.30 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.52 3mv3 h THR 94 Cb 0.47 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 3mv3 h THR 94 CO -0.66 0.00 -0.33 0.00 0.37 0.00 0.00 175.52 174.90 3mv3 h ALA 95 N -0.03 -0.54 -0.41 6.16 0.00 0.47 0.32 119.26 125.24 3mv3 h ALA 95 Ca 0.01 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3mv3 h ALA 95 Cb 0.59 1.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 3mv3 h ALA 95 CO -0.12 -0.71 -0.38 1.96 0.00 0.00 0.00 179.25 180.00 3mv3 h GLN 96 N -0.19 -0.17 -0.85 0.00 4.20 0.42 0.04 115.11 118.56 3mv3 h GLN 96 Ca 0.05 0.01 0.21 0.00 0.06 0.00 0.00 58.65 58.99 3mv3 h GLN 96 Cb 0.33 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 3mv3 h GLN 96 CO -0.38 -0.11 0.58 0.00 -0.67 0.00 0.00 178.83 178.25 3mv3 h ALA 97 N -0.30 2.44 0.00 3.87 0.00 0.82 0.55 119.26 126.64 3mv3 h ALA 97 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3mv3 h ALA 97 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3mv3 h ALA 97 CO -0.48 -0.70 -0.18 0.82 0.00 0.00 0.00 179.25 178.71 3mv3 h ILE 98 N 0.23 0.73 0.00 0.00 2.04 0.16 -1.65 117.51 119.02 3mv3 h ILE 98 Ca 0.43 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 3mv3 h ILE 98 Cb 1.31 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 3mv3 h ILE 98 CO -0.10 0.18 -0.38 -0.07 0.00 0.00 0.00 178.15 177.77 3mv3 h LEU 99 N 0.00 0.00 0.00 1.44 3.38 0.54 -3.47 115.31 117.20 3mv3 h LEU 99 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mv3 h LEU 99 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3mv3 h LEU 99 CO 0.02 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.53 3mv3 n GLY 100 N 1.19 0.89 3.22 0.83 0.00 -0.62 -5.01 105.19 105.69 3mv3 n GLY 100 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3mv3 n GLY 100 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mv3 n ASP 101 N 0.00 4.58 0.09 1.61 -0.08 -1.20 -4.68 116.55 116.86 3mv3 n ASP 101 Ca 0.00 -2.91 -0.16 0.00 -1.51 0.00 0.00 54.79 50.21 3mv3 n ASP 101 Cb 0.00 -1.69 -0.09 0.00 2.34 0.00 0.00 41.12 41.68 3mv3 n ASP 101 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3mv3 h LEU 102 N 11.12 0.58 -0.74 -2.67 3.38 -1.86 -0.52 115.31 124.60 3mv3 h LEU 102 Ca 0.48 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3mv3 h LEU 102 Cb 0.77 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3mv3 h LEU 102 CO 1.61 1.36 0.48 0.44 0.09 0.00 0.00 178.44 182.42 3mv3 h ASP 103 N 0.19 0.82 -0.10 -0.43 3.32 -1.96 -0.98 116.42 117.29 3mv3 h ASP 103 Ca -0.12 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.73 3mv3 h ASP 103 Cb 1.78 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 41.14 3mv3 h ASP 103 CO 0.19 0.59 -0.66 0.50 -1.72 0.00 0.00 179.24 178.14 3mv3 h LYS 104 N 0.97 0.61 -0.45 3.56 3.64 -1.95 -2.82 116.57 120.15 3mv3 h LYS 104 Ca 0.28 -0.53 0.08 0.00 -1.27 0.00 0.00 60.65 59.21 3mv3 h LYS 104 Cb -0.07 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 31.78 3mv3 h LYS 104 CO -0.08 1.15 -0.34 1.03 -2.27 0.00 0.00 179.45 178.95 3mv3 h SER 105 N 0.25 -1.14 -0.84 4.20 0.87 -0.55 0.16 113.55 116.50 3mv3 h SER 105 Ca -0.06 0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3mv3 h SER 105 Cb 1.31 0.54 -0.04 0.00 -0.44 0.00 0.00 62.40 63.76 3mv3 h SER 105 CO 0.13 -0.32 0.56 0.25 -0.53 0.00 0.00 176.83 176.92 3mv3 h LEU 106 N -0.24 0.96 0.22 2.23 6.46 -1.23 -1.67 115.31 122.04 3mv3 h LEU 106 Ca 0.18 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 3mv3 h LEU 106 Cb 0.55 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.23 3mv3 h LEU 106 CO -0.58 0.69 -0.13 -0.08 -0.62 0.00 0.00 178.44 177.72 3mv3 h GLU 107 N 1.13 -0.33 -0.70 1.25 4.81 -0.75 -0.31 114.58 119.69 3mv3 h GLU 107 Ca 0.31 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.71 3mv3 h GLU 107 Cb -0.12 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 29.22 3mv3 h GLU 107 CO -0.07 -0.22 0.09 1.15 -0.73 0.00 0.00 179.01 179.23 3mv3 h THR 108 N -0.34 0.47 0.26 0.32 2.02 -0.11 -0.11 112.91 115.42 3mv3 h THR 108 Ca -0.02 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3mv3 h THR 108 Cb 0.29 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3mv3 h THR 108 CO 0.02 0.03 -0.17 0.00 0.37 0.00 0.00 175.52 175.78 3mv3 h VAL 110 N -0.42 1.09 -0.97 0.00 2.07 -0.25 -0.34 116.25 117.43 3mv3 h VAL 110 Ca -0.02 -0.33 0.19 0.00 0.82 0.00 0.00 66.70 67.35 3mv3 h VAL 110 Cb 0.35 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.04 3mv3 h VAL 110 CO 0.02 0.18 0.56 -0.08 0.02 0.00 0.00 177.57 178.27 3mv3 h GLU 111 N 0.98 0.67 0.11 1.57 4.81 -0.80 -1.87 114.58 120.04 3mv3 h GLU 111 Ca 0.34 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 59.26 3mv3 h GLU 111 Cb 0.07 -0.15 0.03 0.00 0.63 0.00 0.00 28.75 29.32 3mv3 h GLU 111 CO -0.13 0.44 -1.09 0.78 -0.73 0.00 0.00 179.01 178.27 3mv3 h GLY 112 N 0.69 0.62 1.40 1.92 0.00 -0.90 -3.05 103.07 103.73 3mv3 h GLY 112 Ca 0.57 -1.29 0.02 0.00 0.00 0.00 0.00 47.33 46.63 3mv3 h GLY 112 CO -0.40 1.14 0.28 -2.22 0.00 0.00 0.00 176.54 175.33 3mv3 h ILE 113 N 0.12 0.11 0.00 2.60 2.04 -0.33 1.35 117.51 123.40 3mv3 h ILE 113 Ca -0.17 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.49 3mv3 h ILE 113 Cb 1.79 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 3mv3 h ILE 113 CO 0.21 0.00 -1.33 0.44 0.00 0.00 0.00 178.15 177.47 3mv3 h ASP 114 N 0.00 0.00 -0.98 1.72 5.19 -1.40 -3.48 116.42 117.48 3mv3 h ASP 114 Ca 0.04 0.00 -0.72 0.00 -0.62 0.00 0.00 57.03 55.72 3mv3 h ASP 114 Cb 0.59 0.00 0.07 0.00 0.18 0.00 0.00 39.33 40.17 3mv3 h ASP 114 CO -0.00 0.74 -0.17 0.59 -3.12 0.00 0.00 179.24 177.27 3mv3 n ASN 115 N -3.03 -0.50 -0.02 6.45 5.03 0.46 -4.83 115.26 118.82 3mv3 n ASN 115 Ca -0.09 1.12 -0.00 0.00 0.87 0.00 0.00 54.58 56.47 3mv3 n ASN 115 Cb 0.90 -0.91 -0.00 0.00 -1.02 0.00 0.00 39.78 38.75 3mv3 n ASN 115 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3mv3 n ASP 116 N 1.66 -0.04 -4.77 6.41 8.00 -1.26 -4.35 116.55 122.20 3mv3 n ASP 116 Ca 0.19 0.41 -0.38 0.00 0.71 0.00 0.00 54.79 55.72 3mv3 n ASP 116 Cb 0.15 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 3mv3 n ASP 116 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3mv3 s GLU 117 N -3.21 4.21 0.00 -1.24 -1.05 -1.26 -4.92 118.70 111.23 3mv3 s GLU 117 Ca -0.00 1.64 0.27 0.00 -0.15 0.00 0.00 54.97 56.72 3mv3 s GLU 117 Cb 0.00 -2.68 0.89 0.00 -0.44 0.00 0.00 34.13 31.91 3mv3 s GLU 117 CO 0.02 -0.13 1.65 0.00 0.95 0.00 0.00 175.26 177.76 3mv3 n ALA 118 N 0.17 2.67 -2.26 -0.84 0.00 -1.26 -4.69 120.51 114.29 3mv3 n ALA 118 Ca 0.04 -0.47 -0.43 0.00 0.00 0.00 0.00 53.44 52.58 3mv3 n ALA 118 Cb 0.48 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 3mv3 n ALA 118 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3mv3 s GLU 119 N -2.09 3.83 0.00 0.00 2.12 -1.26 -2.34 118.70 118.96 3mv3 s GLU 119 Ca 0.34 1.43 0.00 0.00 0.36 0.00 0.00 54.97 57.11 3mv3 s GLU 119 Cb 0.21 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.63 3mv3 s GLU 119 CO 0.37 -1.24 0.00 0.41 -0.54 0.00 0.00 175.26 174.26 3mv3 n GLY 120 N 4.54 3.00 0.30 -1.50 0.00 -1.26 -4.53 105.19 105.73 3mv3 n GLY 120 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3mv3 n GLY 120 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3mv3 h THR 121 N 0.00 0.23 -0.49 2.61 2.02 -1.74 0.34 112.91 115.87 3mv3 h THR 121 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3mv3 h THR 121 Cb 0.00 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 3mv3 h THR 121 CO 0.00 0.00 0.26 0.74 0.37 0.00 0.00 175.52 176.89 3mv3 h THR 122 N -0.03 1.16 -0.88 3.16 2.02 -1.93 0.19 112.91 116.60 3mv3 h THR 122 Ca 0.34 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3mv3 h THR 122 Cb 0.55 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3mv3 h THR 122 CO -0.76 0.18 0.47 -0.33 0.37 0.00 0.00 175.52 175.44 3mv3 h GLU 123 N 0.68 1.23 0.10 6.66 3.07 -1.35 -1.92 114.58 123.06 3mv3 h GLU 123 Ca 0.17 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3mv3 h GLU 123 Cb 0.04 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 27.71 3mv3 h GLU 123 CO -0.03 0.91 -0.05 -0.07 -1.40 0.00 0.00 179.01 178.38 3mv3 h LEU 124 N 1.23 -0.11 -0.86 1.33 3.38 -0.28 -2.87 115.31 117.14 3mv3 h LEU 124 Ca 0.31 -0.28 0.12 0.00 0.09 0.00 0.00 57.88 58.11 3mv3 h LEU 124 Cb 0.05 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 40.69 3mv3 h LEU 124 CO -0.05 0.23 -0.46 0.25 0.09 0.00 0.00 178.44 178.51 3mv3 h LEU 125 N -0.47 -1.64 -0.10 1.67 5.85 -0.33 0.39 115.31 120.67 3mv3 h LEU 125 Ca -0.01 0.29 0.03 0.00 0.84 0.00 0.00 57.88 59.04 3mv3 h LEU 125 Cb 0.39 0.78 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 3mv3 h LEU 125 CO 0.02 -0.29 -0.48 0.25 -0.34 0.00 0.00 178.44 177.60 3mv3 h LEU 126 N -0.08 -1.51 -0.94 2.25 5.85 -1.32 -0.69 115.31 118.88 3mv3 h LEU 126 Ca 0.24 0.19 0.21 0.00 0.84 0.00 0.00 57.88 59.36 3mv3 h LEU 126 Cb 0.54 0.60 -0.12 0.00 0.37 0.00 0.00 40.66 42.05 3mv3 h LEU 126 CO -0.88 -0.47 0.49 0.25 -0.34 0.00 0.00 178.44 177.50 3mv3 h LEU 127 N -0.56 0.53 0.38 2.25 5.85 -0.46 0.13 115.31 123.43 3mv3 h LEU 127 Ca 0.05 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3mv3 h LEU 127 Cb 0.67 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3mv3 h LEU 127 CO -0.40 0.11 -0.18 0.00 -0.34 0.00 0.00 178.44 177.62 3mv3 h ALA 128 N 1.68 -0.52 -0.93 1.25 0.00 0.54 0.50 119.26 121.78 3mv3 h ALA 128 Ca 0.57 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.49 3mv3 h ALA 128 Cb 1.02 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 3mv3 h ALA 128 CO -0.47 -0.76 0.59 0.82 0.00 0.00 0.00 179.25 179.44 3mv3 h ILE 129 N -0.58 0.86 0.32 0.00 5.03 0.60 0.58 117.51 124.32 3mv3 h ILE 129 Ca -0.05 -0.27 -0.02 0.00 -0.12 0.00 0.00 64.86 64.40 3mv3 h ILE 129 Cb 0.43 -0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.22 3mv3 h ILE 129 CO 0.09 0.14 -0.16 -0.33 -0.68 0.00 0.00 178.15 177.22 3mv3 h GLU 130 N 0.79 -0.42 -0.95 2.37 5.08 -0.44 -1.42 114.58 119.60 3mv3 h GLU 130 Ca 0.47 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 59.02 3mv3 h GLU 130 Cb 0.65 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.90 3mv3 h GLU 130 CO -0.23 -0.09 0.55 0.28 -1.00 0.00 0.00 179.01 178.52 3mv3 h VAL 131 N -0.90 0.75 0.42 3.13 2.07 0.65 0.20 116.25 122.56 3mv3 h VAL 131 Ca -0.04 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3mv3 h VAL 131 Cb 0.52 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3mv3 h VAL 131 CO 0.07 0.14 -0.36 0.00 0.02 0.00 0.00 177.57 177.44 3mv3 h ALA 132 N 1.59 -0.81 -0.10 1.67 0.00 0.21 -2.23 119.26 119.60 3mv3 h ALA 132 Ca 0.52 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.31 3mv3 h ALA 132 Cb 0.73 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3mv3 h ALA 132 CO -0.35 -0.99 0.07 -0.07 0.00 0.00 0.00 179.25 177.91 3mv3 h LEU 133 N -0.78 0.04 -1.19 0.00 3.38 -0.02 -0.97 115.31 115.78 3mv3 h LEU 133 Ca -0.04 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3mv3 h LEU 133 Cb 0.68 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3mv3 h LEU 133 CO -0.03 0.03 0.16 -0.07 0.09 0.00 0.00 178.44 178.62 3mv3 h LEU 134 N 0.05 0.66 -1.03 1.67 3.38 -0.09 -1.33 115.31 118.62 3mv3 h LEU 134 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3mv3 h LEU 134 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3mv3 h LEU 134 CO -0.00 0.63 0.00 -3.20 0.09 0.00 0.00 178.44 175.96 3mv3 n ASN 135 N -4.32 1.58 0.00 -0.43 5.15 -0.43 -4.94 115.26 111.88 3mv3 n ASN 135 Ca 0.04 -1.56 0.00 0.00 -0.60 0.00 0.00 54.58 52.45 3mv3 n ASN 135 Cb 0.19 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 3mv3 n ASN 135 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3mv3 n ASN 136 N 0.24 -2.90 -2.84 1.20 3.02 -0.50 -4.96 115.26 108.53 3mv3 n ASN 136 Ca 0.18 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.44 3mv3 n ASN 136 Cb 0.35 -0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 38.97 3mv3 n ASN 136 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mv3 n ASN 137 N 0.14 7.29 -0.30 6.41 4.13 -0.82 -4.67 115.26 127.44 3mv3 n ASN 137 Ca 0.00 -2.72 0.11 0.00 1.68 0.00 0.00 54.58 53.65 3mv3 n ASN 137 Cb 0.00 -1.44 0.28 0.00 -1.54 0.00 0.00 39.78 37.08 3mv3 n ASN 137 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3mv3 h VAL 138 N 2.50 0.57 -0.22 2.41 2.07 -1.90 0.60 116.25 122.28 3mv3 h VAL 138 Ca 0.58 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.99 3mv3 h VAL 138 Cb 0.72 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 3mv3 h VAL 138 CO 1.15 0.09 -0.25 0.77 0.02 0.00 0.00 177.57 179.35 3mv3 h SER 139 N 0.48 -0.79 0.10 0.57 4.64 -1.98 0.10 113.55 116.67 3mv3 h SER 139 Ca 0.53 0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.98 3mv3 h SER 139 Cb 0.92 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3mv3 h SER 139 CO -0.47 -0.29 -0.05 0.74 -0.87 0.00 0.00 176.83 175.90 3mv3 h THR 140 N -0.27 1.07 -0.74 2.95 2.02 -1.33 -1.07 112.91 115.54 3mv3 h THR 140 Ca 0.13 -0.70 0.15 0.00 0.77 0.00 0.00 66.41 66.76 3mv3 h THR 140 Cb 0.47 1.52 -0.14 0.00 -1.74 0.00 0.00 68.15 68.25 3mv3 h THR 140 CO -0.37 0.17 -0.16 0.00 0.37 0.00 0.00 175.52 175.53 3mv3 h ALA 141 N 0.39 0.54 0.31 6.16 0.00 0.52 0.87 119.26 128.05 3mv3 h ALA 141 Ca -0.01 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3mv3 h ALA 141 Cb 0.38 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3mv3 h ALA 141 CO 0.02 -0.42 -0.15 0.77 0.00 0.00 0.00 179.25 179.48 3mv3 h SER 142 N 0.01 -0.36 -0.81 0.00 0.02 -0.69 -0.59 113.55 111.14 3mv3 h SER 142 Ca 0.37 0.01 0.14 0.00 -0.84 0.00 0.00 61.79 61.47 3mv3 h SER 142 Cb 0.58 0.09 -0.14 0.00 0.14 0.00 0.00 62.40 63.07 3mv3 h SER 142 CO -0.75 -0.25 -0.26 0.41 -1.14 0.00 0.00 176.83 174.84 3mv3 n THR 143 N -3.17 -0.39 -0.06 -2.27 -1.04 -0.25 0.16 114.28 107.27 3mv3 n THR 143 Ca -0.05 1.87 -0.08 0.00 -2.04 0.00 0.00 64.05 63.75 3mv3 n THR 143 Cb 0.17 -2.53 -0.02 0.00 -1.82 0.00 0.00 70.33 66.13 3mv3 n THR 143 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3mv3 h ILE 144 N 0.00 0.90 0.50 12.58 1.08 0.80 -0.24 117.51 133.12 3mv3 h ILE 144 Ca 0.33 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.73 3mv3 h ILE 144 Cb 0.53 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 3mv3 h ILE 144 CO -0.82 0.03 -0.24 0.15 -0.69 0.00 0.00 178.15 176.58 3mv3 h PHE 145 N 0.14 -0.63 -0.62 1.37 3.57 0.28 -2.87 116.94 118.19 3mv3 h PHE 145 Ca 0.11 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.65 3mv3 h PHE 145 Cb 0.10 0.21 -0.08 0.00 2.79 0.00 0.00 35.95 38.97 3mv3 h PHE 145 CO -0.15 -0.39 -0.38 -0.44 -2.23 0.00 0.00 178.31 174.72 3mv3 h ASP 146 N -0.80 -1.38 0.00 0.41 3.32 0.16 0.71 116.42 118.84 3mv3 h ASP 146 Ca -0.07 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3mv3 h ASP 146 Cb 0.52 0.61 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3mv3 h ASP 146 CO 0.11 -0.15 0.23 0.78 -1.72 0.00 0.00 179.24 178.49 3mv3 h ASN 147 N -0.01 0.00 0.21 6.45 2.35 -1.12 -0.16 115.58 123.30 3mv3 h ASN 147 Ca 0.10 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.51 3mv3 h ASN 147 Cb 0.27 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.58 3mv3 h ASN 147 CO -0.59 0.00 -2.08 0.00 -1.65 0.00 0.00 177.43 173.11 3mv3 n TYR 148 N -2.39 0.60 0.00 1.19 9.36 0.14 -4.08 117.16 121.97 3mv3 n TYR 148 Ca -0.01 0.18 0.00 0.00 3.32 0.00 0.00 57.90 61.39 3mv3 n TYR 148 Cb 0.26 -1.10 0.00 0.00 -0.63 0.00 0.00 39.34 37.87 3mv3 n TYR 148 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 3mv3 n THR 149 N -3.06 0.00 0.07 2.97 -1.04 -0.11 -2.26 114.28 110.86 3mv3 n THR 149 Ca -0.28 0.58 0.01 0.00 -2.04 0.00 0.00 64.05 62.32 3mv3 n THR 149 Cb 1.08 -1.28 0.07 0.00 -1.82 0.00 0.00 70.33 68.38 3mv3 n THR 149 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3mv3 n ASN 150 N -0.33 0.07 0.00 8.00 3.02 -1.00 -1.82 115.26 123.19 3mv3 n ASN 150 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 3mv3 n ASN 150 Cb 0.00 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 3mv3 n ASN 150 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mv3 n ALA 151 N -1.24 0.00 -1.35 5.41 0.00 -1.19 -4.36 120.51 117.78 3mv3 n ALA 151 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 3mv3 n ALA 151 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 3mv3 n ALA 151 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3mv3 n ILE 152 N -0.35 2.25 -0.31 0.00 2.08 -0.76 -4.62 119.36 117.65 3mv3 n ILE 152 Ca 0.00 -1.99 -0.09 0.00 0.56 0.00 0.00 62.75 61.23 3mv3 n ILE 152 Cb 0.00 -2.38 0.15 0.00 -0.75 0.00 0.00 39.64 36.66 3mv3 n ILE 152 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3mv3 n GLU 153 N 6.87 2.25 -1.18 0.38 4.71 -1.25 -4.46 120.64 127.96 3mv3 n GLU 153 Ca 0.50 -1.88 -0.25 0.00 -0.01 0.00 0.00 57.16 55.53 3mv3 n GLU 153 Cb 0.40 -1.80 0.03 0.00 -1.01 0.00 0.00 31.44 29.07 3mv3 n GLU 153 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3mv3 n ASP 154 N -0.25 6.83 -3.61 1.62 8.00 -1.26 -4.85 116.55 123.03 3mv3 n ASP 154 Ca 0.31 -3.31 -0.19 0.00 0.71 0.00 0.00 54.79 52.31 3mv3 n ASP 154 Cb 1.11 -1.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 3mv3 n ASP 154 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3mv3 n THR 155 N 0.10 -0.63 1.33 -3.53 -1.04 -1.26 -4.73 114.28 104.52 3mv3 n THR 155 Ca 0.43 -0.30 0.14 0.00 -2.04 0.00 0.00 64.05 62.28 3mv3 n THR 155 Cb 0.57 -0.63 0.61 0.00 -1.82 0.00 0.00 70.33 69.06 3mv3 n THR 155 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3mv3 n VAL 156 N -3.17 0.00 0.01 12.58 0.31 -1.26 -4.18 118.33 122.61 3mv3 n VAL 156 Ca -0.19 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3mv3 n VAL 156 Cb 0.42 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 3mv3 n VAL 156 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3mv3 n SER 157 N -1.12 0.03 0.04 4.52 3.41 -1.26 -4.27 113.62 114.96 3mv3 n SER 157 Ca 0.13 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3mv3 n SER 157 Cb 0.28 -0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.25 3mv3 n SER 157 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mv3 n GLY 158 N 0.91 -0.13 0.00 5.00 0.00 -1.26 -3.72 105.19 105.99 3mv3 n GLY 158 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3mv3 n GLY 158 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mv3 n ASP 159 N -1.25 0.00 0.17 1.61 5.75 -1.26 -4.82 116.55 116.76 3mv3 n ASP 159 Ca -0.00 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.87 3mv3 n ASP 159 Cb 0.48 0.00 0.49 0.00 -1.03 0.00 0.00 41.12 41.06 3mv3 n ASP 159 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 3mv3 h ASN 160 N 0.00 0.00 0.00 -1.12 2.35 -1.82 -3.37 115.58 111.62 3mv3 h ASN 160 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3mv3 h ASN 160 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3mv3 h ASN 160 CO 0.00 0.00 0.00 1.21 -1.65 0.00 0.00 177.43 176.99 3mv3 n GLU 161 N -2.19 0.00 0.00 0.81 2.13 -1.24 0.07 120.64 120.22 3mv3 n GLU 161 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3mv3 n GLU 161 Cb 0.18 -0.79 0.00 0.00 0.27 0.00 0.00 31.44 31.10 3mv3 n GLU 161 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3mv3 n ILE 163 N 0.38 0.00 -0.10 6.31 -0.00 -1.26 -1.39 119.36 123.30 3mv3 n ILE 163 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.66 3mv3 n ILE 163 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 39.62 3mv3 n ILE 163 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 3mv3 h LEU 164 N 0.00 0.43 -1.32 1.39 5.85 -0.71 -2.53 115.31 118.42 3mv3 h LEU 164 Ca 0.00 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 3mv3 h LEU 164 Cb 0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3mv3 h LEU 164 CO 0.00 0.45 -0.17 0.78 -0.34 0.00 0.00 178.44 179.16 3mv3 h ASN 165 N 0.39 0.24 0.17 1.25 4.21 -1.48 -0.80 115.58 119.56 3mv3 h ASN 165 Ca 0.11 -0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.56 3mv3 h ASN 165 Cb 0.14 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 3mv3 h ASN 165 CO -0.01 0.43 -0.13 0.25 -1.29 0.00 0.00 177.43 176.68 3mv3 h LEU 166 N 0.24 -0.33 0.45 1.61 5.85 -1.73 0.32 115.31 121.72 3mv3 h LEU 166 Ca 0.05 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3mv3 h LEU 166 Cb 0.44 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3mv3 h LEU 166 CO 0.03 -0.20 -0.50 0.00 -0.34 0.00 0.00 178.44 177.43 3mv3 h ALA 167 N 0.50 -1.13 -0.83 1.25 0.00 -1.11 -1.41 119.26 116.53 3mv3 h ALA 167 Ca -0.01 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 54.92 3mv3 h ALA 167 Cb 0.27 0.74 -0.15 0.00 0.00 0.00 0.00 17.79 18.66 3mv3 h ALA 167 CO -0.01 -1.17 -0.04 1.49 0.00 0.00 0.00 179.25 179.53 3mv3 h GLU 168 N -0.96 0.06 -0.07 0.00 4.81 -0.98 -1.02 114.58 116.42 3mv3 h GLU 168 Ca -0.06 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3mv3 h GLU 168 Cb 0.84 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.16 3mv3 h GLU 168 CO -0.09 0.04 -0.41 1.03 -0.73 0.00 0.00 179.01 178.85 3mv3 h SER 169 N 0.06 -1.30 -0.99 1.04 0.87 0.68 0.34 113.55 114.24 3mv3 h SER 169 Ca 0.45 0.15 0.24 0.00 -1.23 0.00 0.00 61.79 61.40 3mv3 h SER 169 Cb 0.81 0.50 -0.09 0.00 -0.44 0.00 0.00 62.40 63.19 3mv3 h SER 169 CO -0.77 -0.38 0.64 1.88 -0.53 0.00 0.00 176.83 177.67 3mv3 h TYR 170 N -0.47 0.67 0.37 2.24 0.99 -0.37 0.24 116.97 120.64 3mv3 h TYR 170 Ca 0.02 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 3mv3 h TYR 170 Cb 0.53 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 38.06 3mv3 h TYR 170 CO -0.53 0.11 -0.18 0.82 -0.00 0.00 0.00 178.16 178.39 3mv3 h ILE 171 N 0.45 0.57 -0.85 -2.88 2.04 -0.46 -2.63 117.51 113.75 3mv3 h ILE 171 Ca 0.55 -0.57 0.21 0.00 1.00 0.00 0.00 64.86 66.05 3mv3 h ILE 171 Cb 1.33 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 3mv3 h ILE 171 CO -0.27 0.10 0.58 0.11 0.00 0.00 0.00 178.15 178.67 3mv3 h LYS 172 N -0.85 0.28 -0.54 2.37 1.57 0.18 0.77 116.57 120.34 3mv3 h LYS 172 Ca -0.05 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 3mv3 h LYS 172 Cb 0.53 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3mv3 h LYS 172 CO 0.08 0.18 -0.04 0.35 -0.57 0.00 0.00 179.45 179.45 3mv3 h PHE 173 N 0.28 1.09 -0.04 -1.35 3.57 -0.51 -0.42 116.94 119.56 3mv3 h PHE 173 Ca 0.43 -0.20 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 3mv3 h PHE 173 Cb 1.24 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3mv3 h PHE 173 CO -0.00 1.00 -0.16 0.00 -2.23 0.00 0.00 178.31 176.92 3mv3 h ALA 174 N 0.94 0.07 -0.48 2.41 0.00 -0.55 -3.16 119.26 118.48 3mv3 h ALA 174 Ca 0.15 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.74 3mv3 h ALA 174 Cb 0.59 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3mv3 h ALA 174 CO 0.04 0.01 0.32 1.15 0.00 0.00 0.00 179.25 180.77 3mv3 h THR 175 N -0.41 0.96 0.00 0.00 2.02 -1.08 -3.45 112.91 110.95 3mv3 h THR 175 Ca -0.01 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3mv3 h THR 175 Cb 0.81 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3mv3 h THR 175 CO 0.03 0.07 0.00 -3.20 0.37 0.00 0.00 175.52 172.79 3mv3 n ASN 176 N -4.47 -2.85 -4.71 4.18 2.85 -0.17 -4.99 115.26 105.10 3mv3 n ASN 176 Ca 0.07 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.13 3mv3 n ASN 176 Cb 0.27 -0.81 -0.04 0.00 1.24 0.00 0.00 39.78 40.44 3mv3 n ASN 176 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 3mv3 s LYS 177 N -0.25 4.47 -1.44 1.20 -2.85 -1.17 -3.61 119.74 116.10 3mv3 s LYS 177 Ca 0.00 1.17 -0.04 0.00 -1.00 0.00 0.00 55.97 56.10 3mv3 s LYS 177 Cb 0.00 -3.48 0.00 0.00 -2.06 0.00 0.00 37.83 32.30 3mv3 s LYS 177 CO 0.00 -0.06 0.53 0.39 0.10 0.00 0.00 175.35 176.31 3mv3 n GLU 178 N 4.10 -4.35 -0.07 1.78 1.02 -1.26 -4.79 120.64 117.07 3mv3 n GLU 178 Ca 0.03 0.84 -0.10 0.00 -0.02 0.00 0.00 57.16 57.92 3mv3 n GLU 178 Cb 0.51 -5.53 -0.03 0.00 -0.02 0.00 0.00 31.44 26.37 3mv3 n GLU 178 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mv3 h THR 179 N -1.22 1.11 -0.04 2.62 1.03 -1.87 -1.03 112.91 113.51 3mv3 h THR 179 Ca -0.48 -0.27 -0.12 0.00 -0.01 0.00 0.00 66.41 65.53 3mv3 h THR 179 Cb 1.34 0.83 0.01 0.00 -1.07 0.00 0.00 68.15 69.26 3mv3 h THR 179 CO 0.52 0.10 -0.44 0.00 -0.01 0.00 0.00 175.52 175.69 3mv3 h ALA 180 N 1.03 0.10 -3.00 0.00 0.00 -1.90 -3.20 119.26 112.29 3mv3 h ALA 180 Ca 0.09 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3mv3 h ALA 180 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3mv3 h ALA 180 CO -0.02 0.26 0.00 2.41 0.00 0.00 0.00 179.25 181.91 3mv3 n THR 181 N -4.33 0.00 -0.39 0.00 -1.04 -1.15 -4.30 114.28 103.08 3mv3 n THR 181 Ca -0.09 0.00 0.32 0.00 -2.04 0.00 0.00 64.05 62.23 3mv3 n THR 181 Cb 0.58 0.00 0.59 0.00 -1.82 0.00 0.00 70.33 69.68 3mv3 n THR 181 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 3mv3 h SER 182 N 0.00 0.34 1.00 8.00 0.87 -1.89 0.10 113.55 121.97 3mv3 h SER 182 Ca 0.00 0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3mv3 h SER 182 Cb 0.00 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3mv3 h SER 182 CO 0.00 -0.20 -0.15 -1.13 -0.53 0.00 0.00 176.83 174.82 3mv3 h ASN 183 N 0.15 0.00 0.14 6.23 -1.24 -1.43 -2.17 115.58 117.27 3mv3 h ASN 183 Ca 0.79 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 57.61 3mv3 h ASN 183 Cb 2.21 0.00 0.02 0.00 0.73 0.00 0.00 38.32 41.28 3mv3 h ASN 183 CO -0.52 0.15 -0.83 0.15 -1.29 0.00 0.00 177.43 175.09 3mv3 h PHE 184 N 0.00 0.54 -0.49 0.67 -0.00 -0.79 -3.23 116.94 113.64 3mv3 h PHE 184 Ca -0.00 -0.40 0.03 0.00 -0.00 0.00 0.00 57.97 57.60 3mv3 h PHE 184 Cb 0.70 -0.02 -0.03 0.00 -0.00 0.00 0.00 35.95 36.60 3mv3 h PHE 184 CO 0.00 1.32 0.33 1.88 -0.00 0.00 0.00 178.31 181.84 3mv3 h TYR 185 N -0.37 0.54 0.48 0.41 -1.99 -1.38 0.32 116.97 114.98 3mv3 h TYR 185 Ca -0.15 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.58 3mv3 h TYR 185 Cb 1.65 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 40.19 3mv3 h TYR 185 CO 0.20 0.32 -0.40 -0.92 -0.00 0.00 0.00 178.16 177.35 3mv3 h TYR 186 N 0.56 -1.11 -0.28 4.88 3.20 -1.43 -0.09 116.97 122.71 3mv3 h TYR 186 Ca 0.20 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3mv3 h TYR 186 Cb 0.09 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3mv3 h TYR 186 CO -0.00 -0.56 0.10 1.88 -1.64 0.00 0.00 178.16 177.94 3mv3 h TYR 187 N -0.86 0.43 -0.36 -3.82 -1.99 -1.51 -2.24 116.97 106.62 3mv3 h TYR 187 Ca -0.06 -0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.66 3mv3 h TYR 187 Cb 0.73 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 39.29 3mv3 h TYR 187 CO -0.17 0.44 -0.22 1.49 -0.00 0.00 0.00 178.16 179.71 3mv3 h GLU 188 N 0.29 -0.00 -0.10 4.88 4.22 -0.21 0.89 114.58 124.55 3mv3 h GLU 188 Ca 0.09 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.55 3mv3 h GLU 188 Cb 0.20 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3mv3 h GLU 188 CO -0.01 -0.00 -0.37 1.49 -2.18 0.00 0.00 179.01 177.94 3mv3 h GLU 189 N -0.00 -0.38 -0.98 1.92 4.81 -0.91 -2.01 114.58 117.03 3mv3 h GLU 189 Ca 0.06 0.03 0.35 0.00 -0.13 0.00 0.00 59.36 59.66 3mv3 h GLU 189 Cb 0.15 0.09 -0.18 0.00 0.63 0.00 0.00 28.75 29.44 3mv3 h GLU 189 CO -0.35 -0.25 0.31 1.28 -0.73 0.00 0.00 179.01 179.27 3mv3 n LEU 190 N -4.49 0.14 -0.01 1.64 4.77 -0.51 0.12 117.00 118.66 3mv3 n LEU 190 Ca -0.04 1.65 -0.12 0.00 -0.03 0.00 0.00 56.01 57.47 3mv3 n LEU 190 Cb 0.25 -0.71 -0.08 0.00 -2.33 0.00 0.00 43.42 40.55 3mv3 n LEU 190 CO 0.06 -1.77 0.72 0.77 -1.33 0.00 0.00 177.39 175.84 3mv3 h SER 191 N 0.00 0.08 -0.65 -1.43 4.64 -0.17 0.21 113.55 116.23 3mv3 h SER 191 Ca 0.73 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3mv3 h SER 191 Cb 1.78 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.82 3mv3 h SER 191 CO -0.83 0.38 0.40 1.56 -0.87 0.00 0.00 176.83 177.46 3mv3 h GLN 192 N -0.23 0.89 0.00 4.77 4.20 0.20 -2.60 115.11 122.35 3mv3 h GLN 192 Ca 0.01 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 3mv3 h GLN 192 Cb 0.34 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3mv3 h GLN 192 CO 0.00 0.62 -0.55 1.15 -0.67 0.00 0.00 178.83 179.38 3mv3 h THR 193 N 0.91 0.95 -2.02 -0.54 2.02 -0.65 -3.41 112.91 110.16 3mv3 h THR 193 Ca 0.24 -2.34 -0.42 0.00 0.77 0.00 0.00 66.41 64.66 3mv3 h THR 193 Cb -0.04 2.47 -0.32 0.00 -1.74 0.00 0.00 68.15 68.52 3mv3 h THR 193 CO -0.04 0.54 -0.75 -0.36 0.37 0.00 0.00 175.52 175.28 3mv3 s PHE 194 N -2.93 -0.01 -0.52 3.16 0.40 0.05 -5.07 117.98 113.06 3mv3 s PHE 194 Ca 0.04 -1.23 -0.27 0.00 -0.60 0.00 0.00 56.93 54.87 3mv3 s PHE 194 Cb 0.08 -0.50 -0.02 0.00 0.51 0.00 0.00 43.02 43.08 3mv3 s PHE 194 CO 0.75 -0.95 1.86 -1.25 0.70 0.00 0.00 175.22 176.33 3mv3 s PRO 195 N 1.02 2.83 0.31 0.24 0.04 -1.02 -4.56 135.00 133.86 3mv3 s PRO 195 Ca 0.22 0.90 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 3mv3 s PRO 195 Cb -0.11 -4.33 -0.01 0.00 0.04 0.00 0.00 34.50 30.09 3mv3 s PRO 195 CO -0.06 -2.48 0.41 0.95 0.04 0.00 0.00 177.00 175.87 3mv3 s THR 196 N 8.52 0.00 0.00 1.26 -4.23 -1.26 -5.01 115.64 114.92 3mv3 s THR 196 Ca 0.72 -1.67 -0.24 0.00 -1.18 0.00 0.00 61.69 59.33 3mv3 s THR 196 Cb -0.16 -2.54 -0.18 0.00 1.34 0.00 0.00 72.50 70.97 3mv3 s THR 196 CO 0.25 0.00 1.32 -0.50 -0.54 0.00 0.00 174.62 175.15 3mv3 h TRP 197 N 2.20 0.14 -0.84 3.99 4.06 -1.87 0.49 115.95 124.13 3mv3 h TRP 197 Ca -0.28 -0.04 0.18 0.00 2.06 0.00 0.00 58.89 60.81 3mv3 h TRP 197 Cb 1.24 -0.03 -0.16 0.00 -1.00 0.00 0.00 29.16 29.21 3mv3 h TRP 197 CO 1.20 0.55 -0.14 -0.22 -3.56 0.00 0.00 178.44 176.26 3mv3 h LYS 198 N -0.31 0.02 0.19 0.49 3.64 -1.85 0.94 116.57 119.70 3mv3 h LYS 198 Ca 0.01 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 3mv3 h LYS 198 Cb 0.52 -0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.36 3mv3 h LYS 198 CO 0.01 0.01 -1.18 1.79 -2.27 0.00 0.00 179.45 177.81 3mv3 h THR 199 N 0.02 1.36 -0.51 1.00 1.35 -1.63 -2.86 112.91 111.64 3mv3 h THR 199 Ca 0.43 -2.60 -0.08 0.00 -0.55 0.00 0.00 66.41 63.61 3mv3 h THR 199 Cb 0.70 3.09 -0.02 0.00 -1.73 0.00 0.00 68.15 70.20 3mv3 h THR 199 CO -0.84 0.76 0.03 -0.61 -0.25 0.00 0.00 175.52 174.61 3mv3 h GLN 200 N -0.12 0.89 -0.64 4.72 5.75 0.82 -1.61 115.11 124.92 3mv3 h GLN 200 Ca -0.21 -0.27 -0.03 0.00 -0.15 0.00 0.00 58.65 57.99 3mv3 h GLN 200 Cb 1.90 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 30.33 3mv3 h GLN 200 CO 0.20 0.90 0.26 1.25 -2.65 0.00 0.00 178.83 178.80 3mv3 h LEU 201 N 0.76 0.84 0.42 -2.39 5.85 0.77 0.17 115.31 121.72 3mv3 h LEU 201 Ca 0.15 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3mv3 h LEU 201 Cb 0.49 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3mv3 h LEU 201 CO 0.02 0.75 -0.32 1.23 -0.34 0.00 0.00 178.44 179.78 3mv3 h GLY 202 N 1.01 -0.79 -0.19 3.75 0.00 -1.19 -2.18 103.07 103.48 3mv3 h GLY 202 Ca 0.22 0.36 0.14 0.00 0.00 0.00 0.00 47.33 48.05 3mv3 h GLY 202 CO -0.02 -0.29 -0.03 -2.00 0.00 0.00 0.00 176.54 174.19 3mv3 h LEU 203 N -0.73 -0.37 -0.59 3.11 5.85 -0.72 -0.77 115.31 121.10 3mv3 h LEU 203 Ca -0.04 0.17 0.12 0.00 0.84 0.00 0.00 57.88 58.97 3mv3 h LEU 203 Cb 0.63 0.32 -0.11 0.00 0.37 0.00 0.00 40.66 41.86 3mv3 h LEU 203 CO 0.00 -0.15 -0.14 0.25 -0.34 0.00 0.00 178.44 178.06 3mv3 h LEU 204 N 0.09 -0.53 0.07 2.25 5.85 -0.43 -0.17 115.31 122.44 3mv3 h LEU 204 Ca 0.34 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 59.23 3mv3 h LEU 204 Cb 0.56 0.36 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3mv3 h LEU 204 CO -0.59 -0.19 -0.03 0.78 -0.34 0.00 0.00 178.44 178.07 3mv3 h ASN 205 N 0.01 -0.08 -1.01 1.25 2.35 -0.57 -1.00 115.58 116.53 3mv3 h ASN 205 Ca 0.28 -0.04 0.25 0.00 -0.55 0.00 0.00 56.30 56.24 3mv3 h ASN 205 Cb 0.43 0.02 -0.09 0.00 0.05 0.00 0.00 38.32 38.73 3mv3 h ASN 205 CO -0.60 -0.01 0.65 -0.07 -1.65 0.00 0.00 177.43 175.75 3mv3 h LEU 206 N -0.14 0.47 0.07 1.61 -0.00 -0.49 0.48 115.31 117.31 3mv3 h LEU 206 Ca -0.01 0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 3mv3 h LEU 206 Cb 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 3mv3 h LEU 206 CO 0.02 0.12 -0.03 0.45 -0.00 0.00 0.00 178.44 179.00 3mv3 h HIS 207 N 0.43 -0.08 -1.00 1.13 3.86 -0.19 -2.10 115.15 117.21 3mv3 h HIS 207 Ca 0.57 -0.00 0.20 0.00 -1.16 0.00 0.00 60.37 59.98 3mv3 h HIS 207 Cb 1.38 0.03 -0.10 0.00 1.06 0.00 0.00 27.41 29.77 3mv3 h HIS 207 CO -0.00 0.45 0.62 -0.07 0.86 0.00 0.00 177.93 179.78 3mv3 h LEU 208 N -0.69 0.70 -0.26 2.43 3.38 -0.14 0.20 115.31 120.94 3mv3 h LEU 208 Ca -0.01 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3mv3 h LEU 208 Cb 0.57 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 3mv3 h LEU 208 CO 0.01 0.23 -0.40 1.56 0.09 0.00 0.00 178.44 179.94 3mv3 h GLN 209 N 0.68 -0.38 -0.93 1.13 1.08 0.07 -1.89 115.11 114.87 3mv3 h GLN 209 Ca 0.57 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.80 3mv3 h GLN 209 Cb 1.01 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 3mv3 h GLN 209 CO -0.36 -0.25 0.00 0.94 -0.95 0.00 0.00 178.83 178.21 3mv3 n GLN 210 N -5.42 1.00 -0.36 1.46 7.27 0.68 -4.86 117.38 117.15 3mv3 n GLN 210 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 3mv3 n GLN 210 Cb 0.35 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.54 3mv3 n GLN 210 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3mv3 n ARG 211 N -0.03 0.00 -1.47 3.69 3.00 -0.71 -4.83 116.66 116.31 3mv3 n ARG 211 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.42 3mv3 n ARG 211 Cb 0.23 -3.95 -0.04 0.00 0.00 0.00 0.00 32.46 28.70 3mv3 n ARG 211 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3mv3 n ASN 212 N 0.00 3.08 -0.08 0.55 3.02 -1.14 -4.68 115.26 116.02 3mv3 n ASN 212 Ca 0.00 -2.74 0.09 0.00 -0.03 0.00 0.00 54.58 51.90 3mv3 n ASN 212 Cb 0.00 -1.36 0.46 0.00 -0.61 0.00 0.00 39.78 38.27 3mv3 n ASN 212 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 3mv3 h ILE 213 N 4.53 0.97 0.00 2.41 3.07 -1.88 -1.74 117.51 124.86 3mv3 h ILE 213 Ca 0.45 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.69 3mv3 h ILE 213 Cb 0.69 0.42 0.00 0.00 -0.27 0.00 0.00 36.82 37.66 3mv3 h ILE 213 CO 1.86 0.09 0.00 0.00 -1.05 0.00 0.00 178.15 179.05 3mv3 n ALA 214 N -2.49 -0.20 -0.36 0.16 0.00 -1.26 -0.16 120.51 116.20 3mv3 n ALA 214 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.62 3mv3 n ALA 214 Cb 0.27 0.25 0.27 0.00 0.00 0.00 0.00 19.45 20.24 3mv3 n ALA 214 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3mv3 h GLU 215 N 0.00 0.88 -0.00 0.00 3.07 -1.89 -1.65 114.58 114.99 3mv3 h GLU 215 Ca 0.00 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.83 3mv3 h GLU 215 Cb 0.00 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.69 3mv3 h GLU 215 CO 0.00 0.58 -0.11 0.00 -1.40 0.00 0.00 179.01 178.08 3mv3 h ALA 216 N 1.58 -0.12 -0.45 3.43 0.00 -0.90 -1.54 119.26 121.26 3mv3 h ALA 216 Ca 0.53 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.54 3mv3 h ALA 216 Cb 0.65 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 3mv3 h ALA 216 CO -0.31 -0.60 -0.27 0.37 0.00 0.00 0.00 179.25 178.44 3mv3 h GLN 217 N -0.18 -0.17 -0.30 0.00 5.75 0.40 -0.40 115.11 120.20 3mv3 h GLN 217 Ca 0.04 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.62 3mv3 h GLN 217 Cb 0.24 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.76 3mv3 h GLN 217 CO -0.11 -0.12 -0.11 0.78 -2.65 0.00 0.00 178.83 176.63 3mv3 h GLY 218 N -0.18 0.16 1.09 2.39 0.00 -1.02 0.78 103.07 106.30 3mv3 h GLY 218 Ca 0.20 0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.78 3mv3 h GLY 218 CO -0.55 -0.14 0.35 -2.22 0.00 0.00 0.00 176.54 173.98 3mv3 h ILE 219 N -0.05 0.52 0.07 2.60 1.08 -0.11 -1.34 117.51 120.28 3mv3 h ILE 219 Ca 0.15 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.50 3mv3 h ILE 219 Cb 0.28 0.73 0.01 0.00 -3.07 0.00 0.00 36.82 34.77 3mv3 h ILE 219 CO -0.34 0.00 -0.55 0.58 -0.69 0.00 0.00 178.15 177.15 3mv3 h VAL 220 N 0.00 1.55 0.00 1.67 2.07 0.03 -2.20 116.25 119.37 3mv3 h VAL 220 Ca 0.18 -2.42 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 3mv3 h VAL 220 Cb 0.87 3.18 -0.00 0.00 -1.52 0.00 0.00 31.29 33.82 3mv3 h VAL 220 CO -0.00 0.64 -0.06 -0.33 0.02 0.00 0.00 177.57 177.84 3mv3 h GLU 221 N -0.68 0.00 -0.24 1.57 5.08 -0.89 -0.88 114.58 118.55 3mv3 h GLU 221 Ca -0.11 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 3mv3 h GLU 221 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3mv3 h GLU 221 CO 0.05 0.06 -0.41 1.25 -1.00 0.00 0.00 179.01 178.96 3mv3 h LEU 222 N 0.00 0.77 -0.57 1.33 6.46 -1.29 -0.19 115.31 121.81 3mv3 h LEU 222 Ca -0.00 -0.53 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 3mv3 h LEU 222 Cb 0.12 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.83 3mv3 h LEU 222 CO 0.01 1.16 0.00 0.18 -0.62 0.00 0.00 178.44 179.17 3mv3 n LEU 223 N -4.19 0.57 0.01 2.25 4.77 -0.43 -1.09 117.00 118.89 3mv3 n LEU 223 Ca -0.05 0.64 0.02 0.00 -0.03 0.00 0.00 56.01 56.58 3mv3 n LEU 223 Cb 0.55 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 3mv3 n LEU 223 CO 0.47 -0.50 -0.49 0.18 -1.33 0.00 0.00 177.39 175.72 3mv3 n LEU 224 N -2.13 0.56 -4.49 2.23 4.77 -0.62 -3.33 117.00 114.00 3mv3 n LEU 224 Ca 0.02 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 3mv3 n LEU 224 Cb 0.23 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3mv3 n LEU 224 CO 0.19 0.14 0.19 -0.24 -1.33 0.00 0.00 177.39 176.35 3mv3 n SER 225 N -2.73 -0.36 -0.33 -1.43 2.88 -0.11 -4.32 113.62 107.23 3mv3 n SER 225 Ca -0.11 0.96 0.04 0.00 -1.33 0.00 0.00 58.87 58.42 3mv3 n SER 225 Cb 0.81 -1.16 0.10 0.00 -0.75 0.00 0.00 64.21 63.21 3mv3 n SER 225 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3mv3 n ASP 226 N 1.16 -0.40 -0.32 -3.46 -0.08 -1.26 -1.25 116.55 110.94 3mv3 n ASP 226 Ca 0.11 1.55 0.32 0.00 -1.51 0.00 0.00 54.79 55.26 3mv3 n ASP 226 Cb 0.38 -0.43 0.68 0.00 2.34 0.00 0.00 41.12 44.09 3mv3 n ASP 226 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 3mv3 h TYR 227 N 0.00 0.20 0.00 -0.67 3.20 -1.89 -0.98 116.97 116.83 3mv3 h TYR 227 Ca 0.39 0.01 -0.29 0.00 3.14 0.00 0.00 58.73 61.98 3mv3 h TYR 227 Cb 0.62 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 3mv3 h TYR 227 CO -0.72 0.01 -2.05 0.66 -1.64 0.00 0.00 178.16 174.42 3mv3 n TYR 228 N -4.32 0.00 0.73 -3.82 4.02 -0.38 -3.56 117.16 109.82 3mv3 n TYR 228 Ca 0.26 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.27 3mv3 n TYR 228 Cb 1.14 -0.69 0.49 0.00 -0.02 0.00 0.00 39.34 40.26 3mv3 n TYR 228 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3mv3 n SER 229 N -3.36 0.39 0.07 7.72 3.41 -0.99 -4.00 113.62 116.85 3mv3 n SER 229 Ca -0.34 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 3mv3 n SER 229 Cb 0.81 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3mv3 n SER 229 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3mv3 n VAL 230 N -1.88 0.76 0.29 -3.33 0.31 -0.46 -4.75 118.33 109.27 3mv3 n VAL 230 Ca 0.05 0.25 0.15 0.00 -0.01 0.00 0.00 64.34 64.79 3mv3 n VAL 230 Cb 0.34 -1.19 0.75 0.00 -0.91 0.00 0.00 33.84 32.83 3mv3 n VAL 230 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3mv3 h GLU 231 N 0.00 0.00 -0.38 5.55 4.39 -1.39 -2.18 114.58 120.58 3mv3 h GLU 231 Ca 0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 3mv3 h GLU 231 Cb 0.00 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 28.34 3mv3 h GLU 231 CO 0.00 0.00 -0.84 1.04 -1.16 0.00 0.00 179.01 178.05 3mv3 n GLN 232 N -3.00 2.13 -0.13 2.33 6.02 -1.23 -4.93 117.38 118.56 3mv3 n GLN 232 Ca -0.00 -3.47 0.12 0.00 -0.01 0.00 0.00 57.00 53.63 3mv3 n GLN 232 Cb 0.47 -1.62 0.20 0.00 1.02 0.00 0.00 30.24 30.31 3mv3 n GLN 232 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3mv3 n LYS 233 N -0.60 -0.01 0.00 -1.09 5.02 -0.82 -3.09 118.16 117.56 3mv3 n LYS 233 Ca 0.24 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 3mv3 n LYS 233 Cb 0.89 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 3mv3 n LYS 233 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3mv3 n GLU 234 N -3.30 0.00 -0.52 1.97 -0.58 -1.26 -3.04 120.64 113.91 3mv3 n GLU 234 Ca 0.12 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.81 3mv3 n GLU 234 Cb 0.46 -0.40 -0.07 0.00 -0.57 0.00 0.00 31.44 30.86 3mv3 n GLU 234 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3mv3 n ASN 235 N -0.02 3.42 0.00 1.62 6.94 -1.18 -1.22 115.26 124.82 3mv3 n ASN 235 Ca 0.00 -2.05 0.00 0.00 -0.02 0.00 0.00 54.58 52.51 3mv3 n ASN 235 Cb 0.00 -0.85 0.00 0.00 -2.36 0.00 0.00 39.78 36.57 3mv3 n ASN 235 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mv3 n ALA 236 N 2.29 1.35 0.03 -2.53 0.00 -1.23 -4.48 120.51 115.94 3mv3 n ALA 236 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.54 3mv3 n ALA 236 Cb 0.49 0.07 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 3mv3 n ALA 236 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3mv3 h VAL 237 N 0.00 1.30 -0.99 0.00 3.04 -1.08 -3.03 116.25 115.50 3mv3 h VAL 237 Ca 0.00 -3.04 0.05 0.00 -1.01 0.00 0.00 66.70 62.70 3mv3 h VAL 237 Cb 0.27 2.63 -0.06 0.00 -2.01 0.00 0.00 31.29 32.12 3mv3 h VAL 237 CO 0.00 0.74 0.64 0.25 -1.01 0.00 0.00 177.57 178.19 3mv3 h LEU 238 N 0.00 1.05 -2.54 3.16 5.85 -1.79 -2.69 115.31 118.35 3mv3 h LEU 238 Ca -0.12 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3mv3 h LEU 238 Cb 1.83 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.63 3mv3 h LEU 238 CO 0.10 0.70 0.00 -1.22 -0.34 0.00 0.00 178.44 177.68 3mv3 n TYR 239 N -4.47 0.82 -0.03 1.25 4.02 -1.22 -4.70 117.16 112.83 3mv3 n TYR 239 Ca 0.14 -0.41 -0.11 0.00 -0.01 0.00 0.00 57.90 57.51 3mv3 n TYR 239 Cb 0.14 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.41 3mv3 n TYR 239 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3mv3 h LYS 240 N 4.26 -0.38 0.00 -0.72 3.64 -1.35 -1.76 116.57 120.26 3mv3 h LYS 240 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3mv3 h LYS 240 Cb 0.96 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3mv3 h LYS 240 CO 0.00 -0.26 0.00 -0.35 -2.27 0.00 0.00 179.45 176.57 3mv3 n PRO 241 N -5.42 0.00 -0.30 1.90 -0.04 -1.26 -0.71 135.00 129.17 3mv3 n PRO 241 Ca -0.02 0.54 0.09 0.00 -0.04 0.00 0.00 63.50 64.07 3mv3 n PRO 241 Cb 0.34 -1.10 0.19 0.00 -0.04 0.00 0.00 33.50 32.90 3mv3 n PRO 241 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3mv3 n THR 242 N -1.31 -0.36 0.12 0.52 -1.04 -1.20 0.56 114.28 111.56 3mv3 n THR 242 Ca 0.00 1.93 -0.15 0.00 -2.04 0.00 0.00 64.05 63.79 3mv3 n THR 242 Cb 0.00 -2.75 -0.09 0.00 -1.82 0.00 0.00 70.33 65.67 3mv3 n THR 242 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 3mv3 h PHE 243 N 0.00 -1.36 -0.55 -1.42 3.57 -0.24 -1.59 116.94 115.35 3mv3 h PHE 243 Ca 0.47 0.03 0.11 0.00 3.53 0.00 0.00 57.97 62.11 3mv3 h PHE 243 Cb 0.86 0.58 -0.11 0.00 2.79 0.00 0.00 35.95 40.06 3mv3 h PHE 243 CO -0.55 -0.56 -0.24 -0.07 -2.23 0.00 0.00 178.31 174.66 3mv3 h LEU 244 N -0.72 -0.84 -0.27 0.59 3.38 0.24 0.11 115.31 117.80 3mv3 h LEU 244 Ca 0.01 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.20 3mv3 h LEU 244 Cb 0.73 0.46 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 3mv3 h LEU 244 CO -0.26 -0.26 -0.17 0.00 0.09 0.00 0.00 178.44 177.84 3mv3 h ALA 245 N 1.25 -0.18 -0.97 1.53 0.00 -0.12 0.47 119.26 121.24 3mv3 h ALA 245 Ca 0.25 0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.37 3mv3 h ALA 245 Cb 0.50 1.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.29 3mv3 h ALA 245 CO -0.62 -0.29 0.61 -0.91 0.00 0.00 0.00 179.25 178.04 3mv3 h ASN 246 N -0.01 0.70 -0.93 0.00 -0.26 -0.40 0.16 115.58 114.84 3mv3 h ASN 246 Ca 0.04 0.07 0.15 0.00 -0.56 0.00 0.00 56.30 56.01 3mv3 h ASN 246 Cb 0.12 -0.06 -0.09 0.00 -1.06 0.00 0.00 38.32 37.23 3mv3 h ASN 246 CO -0.26 0.28 0.53 1.56 -1.06 0.00 0.00 177.43 178.48 3mv3 h GLN 247 N 0.70 0.73 0.47 0.81 4.20 0.24 -0.82 115.11 121.45 3mv3 h GLN 247 Ca 0.53 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.17 3mv3 h GLN 247 Cb 0.90 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.52 3mv3 h GLN 247 CO -0.30 0.48 -0.23 0.82 -0.67 0.00 0.00 178.83 178.94 3mv3 h ILE 248 N 0.75 0.00 -0.02 2.54 2.04 0.77 0.59 117.51 124.18 3mv3 h ILE 248 Ca 0.50 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 66.12 3mv3 h ILE 248 Cb 0.68 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3mv3 h ILE 248 CO -0.34 0.00 0.51 0.71 0.00 0.00 0.00 178.15 179.03 3mv3 h THR 249 N -0.88 0.01 0.07 -0.27 1.35 -1.04 0.65 112.91 112.80 3mv3 h THR 249 Ca -0.06 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.48 3mv3 h THR 249 Cb 0.48 0.50 -0.03 0.00 -1.73 0.00 0.00 68.15 67.37 3mv3 h THR 249 CO 0.11 0.00 -1.76 -0.11 -0.25 0.00 0.00 175.52 173.51 3mv3 n LEU 250 N -2.82 2.32 0.08 3.87 0.00 -0.34 -3.88 117.00 116.23 3mv3 n LEU 250 Ca -0.01 0.28 0.17 0.00 0.00 0.00 0.00 56.01 56.46 3mv3 n LEU 250 Cb 0.55 -1.04 0.69 0.00 0.00 0.00 0.00 43.42 43.62 3mv3 n LEU 250 CO 0.11 0.62 1.15 0.00 0.00 0.00 0.00 177.39 179.27 3mv3 h ALA 251 N -0.20 2.32 0.00 1.96 0.00 0.24 -3.02 119.26 120.55 3mv3 h ALA 251 Ca -0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3mv3 h ALA 251 Cb 1.73 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 3mv3 h ALA 251 CO -0.06 -0.47 -0.03 1.28 0.00 0.00 0.00 179.25 179.97 3mv3 n LEU 252 N -4.35 4.56 0.00 0.00 4.77 0.15 -0.84 117.00 121.29 3mv3 n LEU 252 Ca 0.06 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.90 3mv3 n LEU 252 Cb 0.46 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 3mv3 n LEU 252 CO 0.35 0.92 0.00 0.00 -1.33 0.00 0.00 177.39 177.33 3mv3 n GLN 254 N 1.68 0.00 -3.45 3.23 10.64 -1.14 -4.57 117.38 123.76 3mv3 n GLN 254 Ca 0.04 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 55.01 3mv3 n GLN 254 Cb 0.47 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 29.88 3mv3 n GLN 254 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3mv3 n GLY 255 N 0.00 -1.13 3.47 2.61 0.00 -0.90 -5.00 105.19 104.24 3mv3 n GLY 255 Ca 0.00 0.51 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 3mv3 n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mv3 s LEU 256 N -5.48 2.97 0.25 0.99 1.43 -0.02 -4.99 118.68 113.82 3mv3 s LEU 256 Ca 0.31 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3mv3 s LEU 256 Cb -0.09 -1.67 0.54 0.00 0.03 0.00 0.00 46.19 45.01 3mv3 s LEU 256 CO 0.81 0.24 1.34 0.47 0.23 0.00 0.00 176.35 179.44 3mv3 n ASP 257 N 3.03 -0.19 -0.05 2.29 8.00 -1.26 -2.10 116.55 126.27 3mv3 n ASP 257 Ca -0.18 1.46 0.04 0.00 0.71 0.00 0.00 54.79 56.82 3mv3 n ASP 257 Cb 0.53 -0.49 0.06 0.00 -0.02 0.00 0.00 41.12 41.19 3mv3 n ASP 257 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3mv3 n THR 258 N -5.31 0.00 -0.16 -3.53 -1.04 -1.26 -2.67 114.28 100.31 3mv3 n THR 258 Ca 0.17 0.11 0.12 0.00 -2.04 0.00 0.00 64.05 62.41 3mv3 n THR 258 Cb 0.56 -0.19 0.22 0.00 -1.82 0.00 0.00 70.33 69.10 3mv3 n THR 258 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3mv3 n GLU 259 N -2.03 -0.03 0.00 -2.82 2.13 -0.89 -1.03 120.64 115.96 3mv3 n GLU 259 Ca 0.03 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.56 3mv3 n GLU 259 Cb 0.15 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 30.66 3mv3 n GLU 259 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3mv3 n ASP 260 N -4.33 0.00 -0.54 4.31 8.00 -1.09 -2.25 116.55 120.66 3mv3 n ASP 260 Ca 0.15 0.13 0.40 0.00 0.71 0.00 0.00 54.79 56.18 3mv3 n ASP 260 Cb 0.51 -0.10 0.62 0.00 -0.02 0.00 0.00 41.12 42.13 3mv3 n ASP 260 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3mv3 n LEU 261 N -0.80 0.00 0.00 0.64 7.94 -1.02 0.44 117.00 124.21 3mv3 n LEU 261 Ca 0.00 0.76 0.00 0.00 -1.11 0.00 0.00 56.01 55.66 3mv3 n LEU 261 Cb 0.00 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 43.57 3mv3 n LEU 261 CO 0.00 -0.76 0.00 0.41 -1.11 0.00 0.00 177.39 175.93 3mv3 n THR 262 N -3.46 0.00 0.34 1.96 -1.04 -0.20 -3.97 114.28 107.90 3mv3 n THR 262 Ca 0.34 0.27 0.02 0.00 -2.04 0.00 0.00 64.05 62.64 3mv3 n THR 262 Cb 1.52 -0.85 0.11 0.00 -1.82 0.00 0.00 70.33 69.29 3mv3 n THR 262 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3mv3 n ASN 263 N -1.36 0.00 -0.05 8.00 0.23 -0.46 0.09 115.26 121.71 3mv3 n ASN 263 Ca 0.00 -0.23 -0.15 0.00 -0.53 0.00 0.00 54.58 53.67 3mv3 n ASN 263 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 3mv3 n ASN 263 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3mv3 h GLN 264 N 0.00 0.53 0.79 -3.83 1.08 -0.14 -0.32 115.11 113.22 3mv3 h GLN 264 Ca 0.00 -0.36 -0.03 0.00 -1.45 0.00 0.00 58.65 56.81 3mv3 h GLN 264 Cb 0.00 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3mv3 h GLN 264 CO 0.00 0.97 -0.50 -0.07 -0.95 0.00 0.00 178.83 178.29 3mv3 h LEU 265 N 0.16 -1.27 -0.87 1.46 4.07 -0.48 -1.07 115.31 117.32 3mv3 h LEU 265 Ca -0.00 0.07 0.16 0.00 0.08 0.00 0.00 57.88 58.19 3mv3 h LEU 265 Cb 0.98 0.37 -0.10 0.00 1.08 0.00 0.00 40.66 42.99 3mv3 h LEU 265 CO 0.08 -0.76 0.45 0.58 -1.08 0.00 0.00 178.44 177.71 3mv3 h VAL 266 N -1.21 0.70 0.00 1.22 2.07 -1.57 -3.06 116.25 114.41 3mv3 h VAL 266 Ca -0.11 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3mv3 h VAL 266 Cb 0.97 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3mv3 h VAL 266 CO 0.10 0.11 0.00 1.17 0.02 0.00 0.00 177.57 178.97 3mv3 n LYS 267 N -4.88 0.00 -0.80 1.57 4.81 -0.13 -0.00 118.16 118.73 3mv3 n LYS 267 Ca 0.18 0.36 -0.25 0.00 -0.87 0.00 0.00 58.31 57.74 3mv3 n LYS 267 Cb 0.47 -1.33 -0.02 0.00 0.02 0.00 0.00 35.03 34.17 3mv3 n LYS 267 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3mv3 n LEU 268 N -1.59 4.91 0.09 3.14 4.77 -0.43 -3.15 117.00 124.74 3mv3 n LEU 268 Ca 0.00 -2.92 0.00 0.00 -0.03 0.00 0.00 56.01 53.06 3mv3 n LEU 268 Cb 0.00 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 3mv3 n LEU 268 CO 0.00 0.54 0.00 -0.67 -1.33 0.00 0.00 177.39 175.93 3mv3 n ASP 269 N 4.55 -1.64 -3.03 -1.43 -0.08 -1.17 -4.88 116.55 108.87 3mv3 n ASP 269 Ca 0.45 0.53 -0.15 0.00 -1.51 0.00 0.00 54.79 54.12 3mv3 n ASP 269 Cb 0.16 1.77 -0.04 0.00 2.34 0.00 0.00 41.12 45.35 3mv3 n ASP 269 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 3mv3 n HIS 270 N -2.91 0.33 -2.86 -0.67 -0.00 1.00 -5.09 115.22 105.02 3mv3 n HIS 270 Ca 0.00 -1.30 -0.12 0.00 0.46 0.00 0.00 57.72 56.76 3mv3 n HIS 270 Cb 0.00 -0.09 0.02 0.00 -0.12 0.00 0.00 29.99 29.81 3mv3 n HIS 270 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 3mv3 n GLU 271 N -0.55 0.77 -4.61 1.57 4.71 -1.26 -4.59 120.64 116.68 3mv3 n GLU 271 Ca -0.07 -2.11 -0.28 0.00 -0.01 0.00 0.00 57.16 54.69 3mv3 n GLU 271 Cb 0.32 -1.40 -0.11 0.00 -1.01 0.00 0.00 31.44 29.25 3mv3 n GLU 271 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 3mv3 s HIS 272 N 0.20 2.35 0.00 -0.32 -3.43 -1.26 -4.74 115.29 108.08 3mv3 s HIS 272 Ca 0.32 -0.76 0.00 0.00 -0.80 0.00 0.00 55.06 53.83 3mv3 s HIS 272 Cb 0.22 -1.67 0.00 0.00 -1.43 0.00 0.00 32.58 29.70 3mv3 s HIS 272 CO -0.21 0.34 0.00 0.00 -2.00 0.00 0.00 174.74 172.88 3mv3 n ALA 273 N -0.96 0.00 -0.26 -1.38 0.00 -1.26 0.10 120.51 116.76 3mv3 n ALA 273 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.43 3mv3 n ALA 273 Cb 0.67 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.28 3mv3 n ALA 273 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3mv3 h PHE 274 N 0.00 -0.03 -0.03 0.00 3.57 -1.99 0.16 116.94 118.62 3mv3 h PHE 274 Ca 0.00 0.06 -0.24 0.00 3.53 0.00 0.00 57.97 61.31 3mv3 h PHE 274 Cb 0.00 0.14 0.01 0.00 2.79 0.00 0.00 35.95 38.89 3mv3 h PHE 274 CO 0.00 -0.24 -0.96 0.82 -2.23 0.00 0.00 178.31 175.70 3mv3 h ILE 275 N 0.11 1.32 -0.24 1.41 1.08 0.34 0.16 117.51 121.68 3mv3 h ILE 275 Ca 0.42 -2.26 0.06 0.00 -0.39 0.00 0.00 64.86 62.69 3mv3 h ILE 275 Cb 0.75 2.32 -0.07 0.00 -3.07 0.00 0.00 36.82 36.75 3mv3 h ILE 275 CO -0.67 0.69 -0.20 0.50 -0.69 0.00 0.00 178.15 177.79 3mv3 h LYS 276 N 0.36 -0.19 0.19 2.37 1.63 0.56 -0.72 116.57 120.78 3mv3 h LYS 276 Ca -0.10 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 3mv3 h LYS 276 Cb 1.59 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.27 3mv3 h LYS 276 CO 0.18 -0.12 -0.09 0.45 -3.45 0.00 0.00 179.45 176.41 3mv3 h HIS 277 N -0.19 -0.24 -1.36 1.91 3.86 -0.81 -2.79 115.15 115.53 3mv3 h HIS 277 Ca 0.14 -0.01 0.40 0.00 -1.16 0.00 0.00 60.37 59.74 3mv3 h HIS 277 Cb 0.40 0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.89 3mv3 h HIS 277 CO -0.36 0.09 0.97 1.25 0.86 0.00 0.00 177.93 180.74 3mv3 h HIS 278 N -0.59 0.07 0.25 2.45 -0.00 -0.29 0.12 115.15 117.16 3mv3 h HIS 278 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 3mv3 h HIS 278 Cb 0.44 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 3mv3 h HIS 278 CO 0.03 -0.01 -0.12 1.96 -0.00 0.00 0.00 177.93 179.79 3mv3 h GLN 279 N 0.03 -0.32 -0.71 5.26 1.08 -1.00 -2.38 115.11 117.06 3mv3 h GLN 279 Ca 0.66 0.02 0.13 0.00 -1.45 0.00 0.00 58.65 58.02 3mv3 h GLN 279 Cb 2.57 0.07 -0.13 0.00 -0.05 0.00 0.00 27.48 29.94 3mv3 h GLN 279 CO -0.05 -0.22 -0.26 1.49 -0.95 0.00 0.00 178.83 178.85 3mv3 h GLU 280 N -0.90 -0.06 -0.66 1.46 4.81 -0.76 -0.53 114.58 117.94 3mv3 h GLU 280 Ca -0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3mv3 h GLU 280 Cb 0.26 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3mv3 h GLU 280 CO 0.06 -0.04 0.34 0.97 -0.73 0.00 0.00 179.01 179.61 3mv3 h ILE 281 N -0.06 1.21 -0.68 2.32 -0.00 -0.96 -0.13 117.51 119.21 3mv3 h ILE 281 Ca 0.31 -0.57 -0.02 0.00 -0.00 0.00 0.00 64.86 64.58 3mv3 h ILE 281 Cb 0.56 0.39 -0.03 0.00 -0.00 0.00 0.00 36.82 37.73 3mv3 h ILE 281 CO -0.76 0.24 0.34 -0.78 -0.00 0.00 0.00 178.15 177.19 3mv3 h ASP 282 N 0.90 0.86 0.39 2.19 1.82 -0.62 -2.48 116.42 119.48 3mv3 h ASP 282 Ca 0.23 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.76 3mv3 h ASP 282 Cb 0.08 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.87 3mv3 h ASP 282 CO -0.03 0.72 -0.19 0.00 -1.61 0.00 0.00 179.24 178.13 3mv3 h ALA 283 N 1.41 -0.52 -1.08 -0.78 0.00 -0.63 -2.61 119.26 115.04 3mv3 h ALA 283 Ca 0.24 -0.19 0.42 0.00 0.00 0.00 0.00 54.91 55.38 3mv3 h ALA 283 Cb 0.08 0.20 -0.17 0.00 0.00 0.00 0.00 17.79 17.91 3mv3 h ALA 283 CO -0.03 -0.59 0.62 0.87 0.00 0.00 0.00 179.25 180.11 3mv3 h LYS 284 N -0.93 0.04 0.04 0.00 1.57 -0.76 0.26 116.57 116.79 3mv3 h LYS 284 Ca -0.05 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3mv3 h LYS 284 Cb 0.55 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3mv3 h LYS 284 CO 0.09 0.03 -0.02 0.35 -0.57 0.00 0.00 179.45 179.33 3mv3 h PHE 285 N 0.04 -0.05 -0.01 -1.35 3.57 -1.37 -2.83 116.94 114.94 3mv3 h PHE 285 Ca 0.84 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.34 3mv3 h PHE 285 Cb 2.31 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 41.06 3mv3 h PHE 285 CO -0.01 0.59 0.01 -0.44 -2.23 0.00 0.00 178.31 176.23 3mv3 h ASP 286 N -0.75 0.00 0.23 0.41 3.32 -0.68 0.23 116.42 119.18 3mv3 h ASP 286 Ca -0.01 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 3mv3 h ASP 286 Cb 0.65 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3mv3 h ASP 286 CO 0.01 0.00 -0.39 -0.08 -1.72 0.00 0.00 179.24 177.06 3mv3 h GLU 287 N 0.00 0.22 0.00 3.56 4.81 -0.44 -2.57 114.58 120.17 3mv3 h GLU 287 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3mv3 h GLU 287 Cb 0.03 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3mv3 h GLU 287 CO -0.00 0.59 -0.45 -0.07 -0.73 0.00 0.00 179.01 178.35 3mv3 h LEU 288 N 0.19 0.00 -0.53 1.64 3.38 -0.32 -2.93 115.31 116.74 3mv3 h LEU 288 Ca 0.02 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 3mv3 h LEU 288 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3mv3 h LEU 288 CO 0.06 0.03 -0.35 0.58 0.09 0.00 0.00 178.44 178.85 3mv3 h VAL 289 N 0.00 1.28 -0.30 1.22 2.07 -0.99 -2.68 116.25 116.86 3mv3 h VAL 289 Ca 0.00 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 65.95 3mv3 h VAL 289 Cb 0.89 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3mv3 h VAL 289 CO 0.00 0.50 -0.00 0.03 0.02 0.00 0.00 177.57 178.12 3mv3 h ARG 290 N 0.67 0.54 0.00 1.57 2.47 -1.51 -2.75 114.38 115.37 3mv3 h ARG 290 Ca 0.06 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 3mv3 h ARG 290 Cb 0.91 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 3mv3 h ARG 290 CO 0.08 0.68 0.00 1.17 0.56 0.00 0.00 179.97 182.46 3mv3 n LYS 291 N -4.56 0.41 -3.08 0.04 4.81 -1.06 -4.00 118.16 110.72 3mv3 n LYS 291 Ca -0.03 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.25 3mv3 n LYS 291 Cb 0.26 -1.49 -0.01 0.00 0.02 0.00 0.00 35.03 33.81 3mv3 n LYS 291 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3mv3 n TYR 292 N -0.99 -0.64 0.00 5.64 4.02 -1.03 -5.06 117.16 119.09 3mv3 n TYR 292 Ca 0.10 -3.37 0.00 0.00 -0.01 0.00 0.00 57.90 54.62 3mv3 n TYR 292 Cb 0.04 0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 3mv3 n TYR 292 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60