#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh4 n ALA 47 N 1.82 -0.03 0.00 0.00 0.00 -1.26 -5.05 120.51 115.98 3dh4 n ALA 47 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3dh4 n ALA 47 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3dh4 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dh4 n GLY 48 N -0.47 1.87 2.83 0.00 0.00 -1.26 -4.97 105.19 103.19 3dh4 n GLY 48 Ca 0.00 0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 3dh4 n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dh4 n LYS 49 N 0.00 2.25 -3.66 1.61 5.02 -1.26 -4.60 118.16 117.53 3dh4 n LYS 49 Ca 0.00 -2.09 -0.28 0.00 -2.02 0.00 0.00 58.31 53.92 3dh4 n LYS 49 Cb 0.00 -2.98 0.03 0.00 -0.02 0.00 0.00 35.03 32.06 3dh4 n LYS 49 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3dh4 n SER 50 N 6.22 -5.47 -4.68 4.39 3.41 -1.26 -4.81 113.62 111.42 3dh4 n SER 50 Ca 0.52 -0.93 -0.47 0.00 -0.26 0.00 0.00 58.87 57.74 3dh4 n SER 50 Cb 0.35 -3.23 -0.04 0.00 -0.26 0.00 0.00 64.21 61.03 3dh4 n SER 50 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dh4 n LEU 51 N -3.76 3.42 -4.96 1.04 4.77 -1.26 -4.80 117.00 111.44 3dh4 n LEU 51 Ca -0.11 1.01 -0.18 0.00 -0.03 0.00 0.00 56.01 56.69 3dh4 n LEU 51 Cb 0.59 -1.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.26 3dh4 n LEU 51 CO 0.66 -0.10 0.10 -2.16 -1.33 0.00 0.00 177.39 174.55 3dh4 s PRO 52 N 2.79 2.73 0.00 3.23 0.04 -1.26 -4.08 135.00 138.45 3dh4 s PRO 52 Ca 0.86 -1.34 0.00 0.00 0.04 0.00 0.00 61.00 60.57 3dh4 s PRO 52 Cb -0.65 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.26 3dh4 s PRO 52 CO 0.45 -0.24 0.00 1.87 0.04 0.00 0.00 177.00 179.12 3dh4 n TRP 53 N -1.74 0.00 -0.10 0.56 -0.00 -1.26 -1.51 117.44 113.38 3dh4 n TRP 53 Ca 0.06 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.37 3dh4 n TRP 53 Cb 0.60 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.81 3dh4 n TRP 53 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 177.69 177.80 3dh4 h TRP 54 N 0.00 0.00 -0.67 5.87 0.09 -1.94 -3.30 115.95 115.99 3dh4 h TRP 54 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 58.89 59.18 3dh4 h TRP 54 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 29.21 3dh4 h TRP 54 CO 0.00 1.26 0.52 0.00 0.09 0.00 0.00 178.44 180.31 3dh4 h ALA 55 N -0.56 2.59 -0.04 0.11 0.00 -1.65 -1.79 119.26 117.92 3dh4 h ALA 55 Ca -0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3dh4 h ALA 55 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3dh4 h ALA 55 CO -0.18 -0.86 0.00 0.28 0.00 0.00 0.00 179.25 178.49 3dh4 n VAL 56 N -4.20 0.00 -0.33 0.00 0.31 -0.66 -3.05 118.33 110.40 3dh4 n VAL 56 Ca 0.13 1.45 0.11 0.00 -0.01 0.00 0.00 64.34 66.03 3dh4 n VAL 56 Cb 0.77 -2.45 0.32 0.00 -0.91 0.00 0.00 33.84 31.58 3dh4 n VAL 56 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3dh4 h GLY 57 N 0.00 1.53 0.32 2.92 0.00 -1.42 -1.96 103.07 104.46 3dh4 h GLY 57 Ca 0.00 -0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.04 3dh4 h GLY 57 CO 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 176.54 176.49 3dh4 h ALA 58 N 1.60 0.18 -0.08 3.60 0.00 -1.46 -2.17 119.26 120.93 3dh4 h ALA 58 Ca 0.51 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 3dh4 h ALA 58 Cb 0.75 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3dh4 h ALA 58 CO -0.28 -0.48 0.04 1.03 0.00 0.00 0.00 179.25 179.56 3dh4 h SER 59 N -0.03 0.10 0.06 0.00 0.87 -1.27 0.74 113.55 114.02 3dh4 h SER 59 Ca 0.16 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.59 3dh4 h SER 59 Cb 0.27 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.22 3dh4 h SER 59 CO -0.35 0.08 -0.54 -0.07 -0.53 0.00 0.00 176.83 175.43 3dh4 h LEU 60 N 0.11 0.37 -0.10 2.23 3.38 -1.50 0.16 115.31 119.97 3dh4 h LEU 60 Ca 0.03 -0.88 0.01 0.00 0.09 0.00 0.00 57.88 57.13 3dh4 h LEU 60 Cb 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3dh4 h LEU 60 CO -0.00 1.21 0.02 0.40 0.09 0.00 0.00 178.44 180.16 3dh4 h ILE 61 N -0.42 0.96 -0.26 1.22 1.08 -1.02 0.61 117.51 119.69 3dh4 h ILE 61 Ca -0.08 -0.02 0.06 0.00 -0.39 0.00 0.00 64.86 64.43 3dh4 h ILE 61 Cb 1.35 0.89 -0.07 0.00 -3.07 0.00 0.00 36.82 35.93 3dh4 h ILE 61 CO 0.10 0.01 -0.19 0.00 -0.69 0.00 0.00 178.15 177.38 3dh4 h ALA 62 N 1.07 -0.02 -0.42 1.87 0.00 0.46 0.15 119.26 122.36 3dh4 h ALA 62 Ca 0.04 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3dh4 h ALA 62 Cb 0.03 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3dh4 h ALA 62 CO -0.06 -0.60 0.02 0.00 0.00 0.00 0.00 179.25 178.61 3dh4 h ALA 63 N 0.95 1.25 -0.33 0.00 0.00 -0.71 -2.93 119.26 117.50 3dh4 h ALA 63 Ca 0.14 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3dh4 h ALA 63 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3dh4 h ALA 63 CO -0.37 0.50 0.20 -0.97 0.00 0.00 0.00 179.25 178.62 3dh4 h ASN 64 N 0.63 0.34 -3.84 0.00 -0.73 0.12 -3.45 115.58 108.65 3dh4 h ASN 64 Ca 0.13 -0.00 -0.51 0.00 1.87 0.00 0.00 56.30 57.79 3dh4 h ASN 64 Cb 0.37 -0.08 0.03 0.00 0.27 0.00 0.00 38.32 38.91 3dh4 h ASN 64 CO 0.01 0.25 0.50 -0.63 -0.37 0.00 0.00 177.43 177.18 3dh4 s ILE 65 N -6.17 3.35 0.00 2.57 -1.09 0.42 -4.96 121.20 115.33 3dh4 s ILE 65 Ca -0.13 1.32 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 3dh4 s ILE 65 Cb 0.10 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 3dh4 s ILE 65 CO 0.71 0.28 0.00 -1.54 -1.23 0.00 0.00 174.94 173.16 3dh4 n SER 66 N 0.93 0.00 0.03 3.58 3.41 -1.26 -4.92 113.62 115.39 3dh4 n SER 66 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 3dh4 n SER 66 Cb 0.45 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 3dh4 n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dh4 h ALA 67 N 2.00 -0.17 -0.82 7.33 0.00 -1.94 -2.73 119.26 122.93 3dh4 h ALA 67 Ca 0.00 -0.25 0.33 0.00 0.00 0.00 0.00 54.91 54.99 3dh4 h ALA 67 Cb 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.71 3dh4 h ALA 67 CO 0.00 -0.26 0.39 0.39 0.00 0.00 0.00 179.25 179.77 3dh4 n GLU 68 N -4.88 -0.05 -0.01 0.00 1.02 -1.26 0.56 120.64 116.02 3dh4 n GLU 68 Ca -0.08 1.15 -0.04 0.00 -0.02 0.00 0.00 57.16 58.17 3dh4 n GLU 68 Cb 0.27 -2.03 -0.03 0.00 -0.02 0.00 0.00 31.44 29.64 3dh4 n GLU 68 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3dh4 h GLN 69 N 0.00 -0.10 0.00 3.49 1.08 -1.93 0.12 115.11 117.77 3dh4 h GLN 69 Ca 0.67 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.81 3dh4 h GLN 69 Cb 1.74 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 29.18 3dh4 h GLN 69 CO -0.65 0.07 -0.31 0.74 -0.95 0.00 0.00 178.83 177.73 3dh4 h PHE 70 N -1.01 0.00 0.00 2.96 0.05 -0.62 -3.05 116.94 115.26 3dh4 h PHE 70 Ca -0.01 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.74 3dh4 h PHE 70 Cb 0.22 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.16 3dh4 h PHE 70 CO 0.04 0.31 -0.64 -0.89 -0.18 0.00 0.00 178.31 176.95 3dh4 n ILE 71 N -3.42 0.99 -0.22 -0.55 5.41 0.19 -4.27 119.36 117.50 3dh4 n ILE 71 Ca 0.00 0.19 -0.02 0.00 1.00 0.00 0.00 62.75 63.92 3dh4 n ILE 71 Cb 0.50 -1.72 0.08 0.00 -0.71 0.00 0.00 39.64 37.80 3dh4 n ILE 71 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3dh4 h GLY 72 N -0.25 0.91 0.93 7.39 0.00 -1.25 0.74 103.07 111.55 3dh4 h GLY 72 Ca -0.06 -0.24 -0.25 0.00 0.00 0.00 0.00 47.33 46.77 3dh4 h GLY 72 CO -0.04 0.16 -1.12 1.98 0.00 0.00 0.00 176.54 177.52 3dh4 h MET 73 N 0.65 0.41 -0.50 4.80 1.85 -0.67 0.31 114.93 121.78 3dh4 h MET 73 Ca 0.28 -0.69 0.07 0.00 -0.61 0.00 0.00 59.70 58.74 3dh4 h MET 73 Cb 0.16 0.26 -0.06 0.00 0.43 0.00 0.00 31.60 32.39 3dh4 h MET 73 CO -0.17 1.33 0.18 0.66 -0.40 0.00 0.00 176.91 178.51 3dh4 h SER 74 N -0.15 0.17 0.53 1.39 4.64 -1.50 0.27 113.55 118.91 3dh4 h SER 74 Ca -0.20 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 3dh4 h SER 74 Cb 1.88 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 64.01 3dh4 h SER 74 CO 0.21 0.13 -0.09 1.23 -0.87 0.00 0.00 176.83 177.43 3dh4 h GLY 75 N 0.35 0.00 1.35 -0.77 0.00 0.58 -1.13 103.07 103.46 3dh4 h GLY 75 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.27 3dh4 h GLY 75 CO -0.25 0.00 -1.44 0.23 0.00 0.00 0.00 176.54 175.08 3dh4 h SER 76 N 0.00 0.51 -0.04 0.19 0.87 -0.32 -3.27 113.55 111.49 3dh4 h SER 76 Ca -0.00 -0.62 0.01 0.00 -1.23 0.00 0.00 61.79 59.95 3dh4 h SER 76 Cb 0.38 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3dh4 h SER 76 CO 0.01 1.50 0.03 1.23 -0.53 0.00 0.00 176.83 179.07 3dh4 h GLY 77 N 1.26 0.00 0.74 5.77 0.00 0.43 0.23 103.07 111.51 3dh4 h GLY 77 Ca -0.22 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3dh4 h GLY 77 CO 0.20 0.00 -0.35 -1.82 0.00 0.00 0.00 176.54 174.57 3dh4 h TYR 78 N 0.00 -0.93 0.06 5.60 5.03 -1.29 -2.13 116.97 123.31 3dh4 h TYR 78 Ca 0.02 -0.00 -0.24 0.00 2.58 0.00 0.00 58.73 61.09 3dh4 h TYR 78 Cb 0.08 0.35 -0.01 0.00 1.55 0.00 0.00 36.73 38.70 3dh4 h TYR 78 CO 0.00 -0.51 -1.08 0.77 -1.32 0.00 0.00 178.16 176.01 3dh4 h SER 79 N -0.80 0.31 0.00 -2.11 0.02 -1.10 -3.40 113.55 106.47 3dh4 h SER 79 Ca -0.05 -0.31 -0.14 0.00 -0.84 0.00 0.00 61.79 60.46 3dh4 h SER 79 Cb 0.68 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 3dh4 h SER 79 CO 0.00 1.19 -1.31 -0.38 -1.14 0.00 0.00 176.83 175.19 3dh4 n ILE 80 N -3.55 0.73 0.00 3.27 5.41 0.64 -5.02 119.36 120.84 3dh4 n ILE 80 Ca -0.06 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.65 3dh4 n ILE 80 Cb 0.94 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 3dh4 n ILE 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dh4 n GLY 81 N 2.44 0.19 0.34 7.39 0.00 -0.80 -4.33 105.19 110.41 3dh4 n GLY 81 Ca -0.17 -1.91 0.09 0.00 0.00 0.00 0.00 46.02 44.03 3dh4 n GLY 81 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dh4 h LEU 82 N 0.00 0.43 -1.84 0.99 5.85 -1.12 -2.35 115.31 117.28 3dh4 h LEU 82 Ca 0.00 0.00 0.51 0.00 0.84 0.00 0.00 57.88 59.24 3dh4 h LEU 82 Cb 0.00 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.85 3dh4 h LEU 82 CO 0.00 0.28 1.21 0.00 -0.34 0.00 0.00 178.44 179.58 3dh4 h ALA 83 N 1.70 3.49 0.00 1.25 0.00 -1.76 0.70 119.26 124.64 3dh4 h ALA 83 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3dh4 h ALA 83 Cb 0.35 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3dh4 h ALA 83 CO -0.07 -2.06 -0.05 1.51 0.00 0.00 0.00 179.25 178.59 3dh4 n ILE 84 N -4.17 0.43 0.18 0.00 3.06 -0.88 -3.32 119.36 114.65 3dh4 n ILE 84 Ca 0.41 -0.21 0.12 0.00 -2.50 0.00 0.00 62.75 60.56 3dh4 n ILE 84 Cb 1.78 -0.52 0.62 0.00 0.54 0.00 0.00 39.64 42.06 3dh4 n ILE 84 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3dh4 h ALA 85 N 2.64 1.02 -0.94 1.51 0.00 0.22 -1.71 119.26 122.00 3dh4 h ALA 85 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3dh4 h ALA 85 Cb 0.68 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 3dh4 h ALA 85 CO 0.00 -0.02 0.61 0.77 0.00 0.00 0.00 179.25 180.61 3dh4 h SER 86 N 0.00 0.99 -0.77 0.00 0.02 -1.72 0.67 113.55 112.75 3dh4 h SER 86 Ca 0.00 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.11 3dh4 h SER 86 Cb 0.04 -0.21 -0.10 0.00 0.14 0.00 0.00 62.40 62.27 3dh4 h SER 86 CO 0.00 0.66 0.28 1.88 -1.14 0.00 0.00 176.83 178.51 3dh4 h TYR 87 N 1.15 0.46 -0.01 3.45 -1.99 -1.58 0.56 116.97 119.01 3dh4 h TYR 87 Ca 0.39 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 61.15 3dh4 h TYR 87 Cb 0.08 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 38.72 3dh4 h TYR 87 CO -0.01 0.01 -0.02 0.93 -0.00 0.00 0.00 178.16 179.06 3dh4 h GLU 88 N 0.39 0.03 0.00 4.88 4.39 -1.61 -2.99 114.58 119.68 3dh4 h GLU 88 Ca 0.43 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 60.01 3dh4 h GLU 88 Cb 0.70 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 3dh4 h GLU 88 CO -0.45 0.63 -0.48 -1.49 -1.16 0.00 0.00 179.01 176.06 3dh4 h TRP 89 N -0.56 0.00 0.00 4.33 6.55 -0.12 -0.04 115.95 126.11 3dh4 h TRP 89 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3dh4 h TRP 89 Cb 0.63 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.93 3dh4 h TRP 89 CO 0.14 0.48 -0.35 -1.33 -1.05 0.00 0.00 178.44 176.32 3dh4 n MET 90 N -3.65 0.17 0.08 0.49 2.81 0.19 -3.23 117.12 113.98 3dh4 n MET 90 Ca -0.01 0.08 -0.09 0.00 -1.81 0.00 0.00 57.70 55.87 3dh4 n MET 90 Cb 0.55 -1.63 -0.06 0.00 -0.71 0.00 0.00 33.22 31.37 3dh4 n MET 90 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3dh4 h SER 91 N 0.00 0.16 -0.62 7.83 0.02 -1.06 -2.00 113.55 117.88 3dh4 h SER 91 Ca 0.00 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 3dh4 h SER 91 Cb 0.64 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 3dh4 h SER 91 CO 0.00 1.03 0.27 0.00 -1.14 0.00 0.00 176.83 177.00 3dh4 h ALA 92 N 0.95 0.80 0.01 3.77 0.00 -1.03 -1.39 119.26 122.37 3dh4 h ALA 92 Ca -0.04 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 3dh4 h ALA 92 Cb 1.66 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 3dh4 h ALA 92 CO 0.14 0.39 -0.94 0.97 0.00 0.00 0.00 179.25 179.81 3dh4 h ILE 93 N 0.86 1.44 -0.46 0.00 2.10 -1.61 -3.06 117.51 116.77 3dh4 h ILE 93 Ca 0.21 -2.54 0.09 0.00 1.08 0.00 0.00 64.86 63.70 3dh4 h ILE 93 Cb 0.16 2.47 -0.09 0.00 -1.09 0.00 0.00 36.82 38.27 3dh4 h ILE 93 CO -0.02 0.75 -0.12 0.00 -1.08 0.00 0.00 178.15 177.68 3dh4 h THR 94 N 0.18 0.53 -0.54 2.19 1.03 -1.08 -2.85 112.91 112.36 3dh4 h THR 94 Ca -0.07 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 66.40 3dh4 h THR 94 Cb 1.58 0.53 -0.06 0.00 -1.07 0.00 0.00 68.15 69.13 3dh4 h THR 94 CO 0.16 0.00 0.21 -0.07 -0.01 0.00 0.00 175.52 175.81 3dh4 h LEU 95 N -0.01 0.24 -0.77 0.00 3.38 -1.15 0.60 115.31 117.59 3dh4 h LEU 95 Ca 0.22 0.06 0.18 0.00 0.09 0.00 0.00 57.88 58.43 3dh4 h LEU 95 Cb 0.35 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.00 3dh4 h LEU 95 CO -0.48 0.16 0.09 0.40 0.09 0.00 0.00 178.44 178.70 3dh4 h ILE 96 N 0.41 0.37 0.10 1.22 2.04 -1.52 1.15 117.51 121.27 3dh4 h ILE 96 Ca 0.26 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 3dh4 h ILE 96 Cb 0.26 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3dh4 h ILE 96 CO -0.24 0.03 -0.05 0.40 0.00 0.00 0.00 178.15 178.29 3dh4 h ILE 97 N 0.16 1.13 -0.92 -0.67 1.08 0.23 0.17 117.51 118.69 3dh4 h ILE 97 Ca 0.44 -0.99 0.07 0.00 -0.39 0.00 0.00 64.86 64.00 3dh4 h ILE 97 Cb 0.80 1.74 -0.06 0.00 -3.07 0.00 0.00 36.82 36.22 3dh4 h ILE 97 CO -0.63 0.23 0.60 1.62 -0.69 0.00 0.00 178.15 179.28 3dh4 h VAL 98 N -0.60 1.04 0.12 1.67 3.04 -0.77 0.73 116.25 121.47 3dh4 h VAL 98 Ca -0.01 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 3dh4 h VAL 98 Cb 0.48 -0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.68 3dh4 h VAL 98 CO 0.02 0.19 -0.21 1.23 -1.01 0.00 0.00 177.57 177.79 3dh4 h GLY 99 N 1.02 -1.08 1.66 3.17 0.00 0.17 0.10 103.07 108.10 3dh4 h GLY 99 Ca 0.41 0.51 -0.08 0.00 0.00 0.00 0.00 47.33 48.17 3dh4 h GLY 99 CO -0.16 -0.35 -0.21 1.70 0.00 0.00 0.00 176.54 177.52 3dh4 h LYS 100 N -0.35 0.40 0.00 4.80 3.64 -0.49 -3.39 116.57 121.19 3dh4 h LYS 100 Ca -0.01 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 3dh4 h LYS 100 Cb 0.33 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3dh4 h LYS 100 CO -0.08 0.60 -1.32 0.66 -2.27 0.00 0.00 179.45 177.04 3dh4 n TYR 101 N -4.16 0.00 -0.09 1.91 4.02 0.23 -4.67 117.16 114.40 3dh4 n TYR 101 Ca -0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 3dh4 n TYR 101 Cb 0.36 -0.18 -0.04 0.00 -0.02 0.00 0.00 39.34 39.46 3dh4 n TYR 101 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3dh4 n PHE 102 N -1.85 0.00 -0.08 -0.72 3.01 -0.02 -4.55 117.46 113.25 3dh4 n PHE 102 Ca -0.03 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.33 3dh4 n PHE 102 Cb 0.30 -0.52 -0.04 0.00 -0.01 0.00 0.00 39.48 39.21 3dh4 n PHE 102 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3dh4 h LEU 103 N -0.93 -1.27 -1.78 4.37 -0.00 -1.63 -1.74 115.31 112.33 3dh4 h LEU 103 Ca -0.07 0.19 0.45 0.00 -0.00 0.00 0.00 57.88 58.46 3dh4 h LEU 103 Cb 1.00 0.56 -0.09 0.00 -0.00 0.00 0.00 40.66 42.13 3dh4 h LEU 103 CO -0.04 -0.37 1.06 -0.65 -0.00 0.00 0.00 178.44 178.44 3dh4 h PRO 104 N -0.35 0.05 0.09 1.13 0.11 -1.83 0.42 132.00 131.62 3dh4 h PRO 104 Ca 0.13 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 3dh4 h PRO 104 Cb 0.58 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3dh4 h PRO 104 CO -0.51 0.03 -0.04 0.82 -0.21 0.00 0.00 178.00 178.09 3dh4 h ILE 105 N 0.05 1.04 -1.01 4.15 2.04 -1.56 -1.94 117.51 120.28 3dh4 h ILE 105 Ca 0.79 -1.40 0.10 0.00 1.00 0.00 0.00 64.86 65.35 3dh4 h ILE 105 Cb 2.89 1.81 -0.08 0.00 -0.74 0.00 0.00 36.82 40.70 3dh4 h ILE 105 CO -0.15 0.29 0.64 -0.26 0.00 0.00 0.00 178.15 178.67 3dh4 h PHE 106 N -0.87 1.17 0.00 1.37 -1.00 -0.14 -0.72 116.94 116.76 3dh4 h PHE 106 Ca -0.01 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 3dh4 h PHE 106 Cb 0.58 -0.38 0.00 0.00 3.61 0.00 0.00 35.95 39.76 3dh4 h PHE 106 CO 0.12 0.51 -0.03 -0.84 -1.61 0.00 0.00 178.31 176.47 3dh4 h ILE 107 N 1.06 1.65 0.90 -0.55 -0.00 -0.60 0.26 117.51 120.23 3dh4 h ILE 107 Ca 0.48 -1.96 -0.04 0.00 -0.00 0.00 0.00 64.86 63.33 3dh4 h ILE 107 Cb 0.37 2.98 0.01 0.00 -0.00 0.00 0.00 36.82 40.18 3dh4 h ILE 107 CO -0.23 0.51 -0.43 -0.08 -0.00 0.00 0.00 178.15 177.92 3dh4 h GLU 108 N -0.80 -1.17 -5.87 0.16 4.57 -1.23 -3.19 114.58 107.06 3dh4 h GLU 108 Ca -0.00 0.08 -0.65 0.00 -1.18 0.00 0.00 59.36 57.60 3dh4 h GLU 108 Cb 0.85 0.26 -0.08 0.00 -0.16 0.00 0.00 28.75 29.63 3dh4 h GLU 108 CO 0.01 -0.78 2.07 0.15 -1.18 0.00 0.00 179.01 179.27 3dh4 s LYS 109 N -5.52 3.86 0.00 1.92 -0.14 -0.29 -4.82 119.74 114.75 3dh4 s LYS 109 Ca -0.18 -1.85 0.00 0.00 -1.36 0.00 0.00 55.97 52.58 3dh4 s LYS 109 Cb 0.02 -5.50 0.00 0.00 -1.68 0.00 0.00 37.83 30.67 3dh4 s LYS 109 CO 0.53 -2.35 0.72 0.41 -0.76 0.00 0.00 175.35 173.90 3dh4 n GLY 110 N 5.60 0.00 3.91 -3.33 0.00 -1.20 -4.67 105.19 105.49 3dh4 n GLY 110 Ca 0.47 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.21 3dh4 n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dh4 s ILE 111 N 0.78 5.01 0.00 -0.61 -1.09 0.92 -5.02 121.20 121.18 3dh4 s ILE 111 Ca 0.00 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.43 3dh4 s ILE 111 Cb 0.00 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 3dh4 s ILE 111 CO 0.00 -0.43 0.00 -1.22 -1.23 0.00 0.00 174.94 172.06 3dh4 n TYR 112 N -1.26 0.00 -4.38 3.97 4.02 -1.26 -4.61 117.16 113.63 3dh4 n TYR 112 Ca -0.02 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.63 3dh4 n TYR 112 Cb 0.54 0.13 -0.09 0.00 -0.02 0.00 0.00 39.34 39.91 3dh4 n TYR 112 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3dh4 s THR 113 N -1.36 2.86 0.01 -0.72 -4.23 -1.26 -4.29 115.64 106.65 3dh4 s THR 113 Ca 0.00 -2.14 -0.22 0.00 -1.18 0.00 0.00 61.69 58.14 3dh4 s THR 113 Cb 0.00 -2.60 -0.17 0.00 1.34 0.00 0.00 72.50 71.07 3dh4 s THR 113 CO 0.00 -0.35 1.31 0.40 -0.54 0.00 0.00 174.62 175.44 3dh4 h ILE 114 N 2.04 1.37 -1.00 2.99 1.08 -1.95 -2.75 117.51 119.28 3dh4 h ILE 114 Ca -0.42 -1.26 0.34 0.00 -0.39 0.00 0.00 64.86 63.13 3dh4 h ILE 114 Cb 1.25 2.00 -0.15 0.00 -3.07 0.00 0.00 36.82 36.85 3dh4 h ILE 114 CO 0.62 0.36 0.56 -0.65 -0.69 0.00 0.00 178.15 178.35 3dh4 h PRO 115 N -0.20 0.26 -0.29 2.37 0.10 -1.99 0.33 132.00 132.57 3dh4 h PRO 115 Ca 0.01 -0.02 0.02 0.00 0.10 0.00 0.00 66.00 66.12 3dh4 h PRO 115 Cb 0.61 -0.06 -0.02 0.00 0.10 0.00 0.00 31.00 31.63 3dh4 h PRO 115 CO 0.02 0.17 0.14 1.49 0.10 0.00 0.00 178.00 179.93 3dh4 h GLU 116 N 0.26 0.30 -0.81 1.05 4.81 -1.92 -0.68 114.58 117.59 3dh4 h GLU 116 Ca 0.76 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 60.11 3dh4 h GLU 116 Cb 1.78 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 31.04 3dh4 h GLU 116 CO -0.64 0.20 0.53 0.35 -0.73 0.00 0.00 179.01 178.72 3dh4 h PHE 117 N 0.30 0.63 0.36 0.92 3.57 -0.17 0.20 116.94 122.75 3dh4 h PHE 117 Ca 0.12 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3dh4 h PHE 117 Cb 0.04 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.59 3dh4 h PHE 117 CO -0.10 0.24 -0.17 0.28 -2.23 0.00 0.00 178.31 176.33 3dh4 h VAL 118 N 0.54 0.32 -0.98 1.41 2.07 -0.50 -0.12 116.25 118.99 3dh4 h VAL 118 Ca 0.40 -0.71 0.13 0.00 0.82 0.00 0.00 66.70 67.34 3dh4 h VAL 118 Cb 0.79 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.99 3dh4 h VAL 118 CO -0.15 0.08 0.61 -0.08 0.02 0.00 0.00 177.57 178.04 3dh4 h GLU 119 N -1.03 0.91 -0.21 1.57 4.81 -0.83 0.20 114.58 120.00 3dh4 h GLU 119 Ca -0.05 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 3dh4 h GLU 119 Cb 0.49 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 3dh4 h GLU 119 CO 0.08 0.60 -0.28 -0.22 -0.73 0.00 0.00 179.01 178.46 3dh4 h LYS 120 N 0.94 0.57 0.00 1.92 1.63 -0.67 -3.26 116.57 117.69 3dh4 h LYS 120 Ca 0.50 -0.32 -0.16 0.00 -0.85 0.00 0.00 60.65 59.81 3dh4 h LYS 120 Cb 0.53 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.16 3dh4 h LYS 120 CO -0.28 0.92 -0.76 -0.09 -3.45 0.00 0.00 179.45 175.79 3dh4 h ARG 121 N 0.25 0.00 0.00 1.90 9.65 -0.39 -3.46 114.38 122.33 3dh4 h ARG 121 Ca 0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3dh4 h ARG 121 Cb 0.85 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 3dh4 h ARG 121 CO 0.07 0.73 0.00 1.19 2.80 0.00 0.00 179.97 184.76 3dh4 n PHE 122 N -3.28 0.00 -3.61 2.20 3.01 0.64 -4.70 117.46 111.72 3dh4 n PHE 122 Ca 0.01 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.36 3dh4 n PHE 122 Cb 0.84 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.24 3dh4 n PHE 122 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3dh4 s ASN 123 N 1.00 -0.45 0.14 4.37 2.47 -1.15 -4.87 114.94 116.46 3dh4 s ASN 123 Ca 0.00 0.72 -0.10 0.00 0.42 0.00 0.00 52.86 53.89 3dh4 s ASN 123 Cb 0.00 0.68 -0.05 0.00 -1.45 0.00 0.00 41.25 40.43 3dh4 s ASN 123 CO 0.00 -0.26 1.44 0.07 -3.72 0.00 0.00 177.10 174.64 3dh4 h LYS 124 N 3.56 0.88 0.67 0.43 2.10 -1.90 -2.43 116.57 119.88 3dh4 h LYS 124 Ca -0.25 -0.52 -0.03 0.00 -2.00 0.00 0.00 60.65 57.85 3dh4 h LYS 124 Cb 1.17 0.05 0.01 0.00 -0.90 0.00 0.00 32.23 32.55 3dh4 h LYS 124 CO 0.20 1.16 -0.32 -0.22 -2.00 0.00 0.00 179.45 178.26 3dh4 h LYS 125 N 0.69 -0.87 -0.72 0.07 3.64 -1.98 -1.02 116.57 116.38 3dh4 h LYS 125 Ca 0.03 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.63 3dh4 h LYS 125 Cb 1.09 0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 33.00 3dh4 h LYS 125 CO 0.11 -0.55 0.17 1.25 -2.27 0.00 0.00 179.45 178.16 3dh4 h LEU 126 N -0.99 0.02 -0.52 5.20 5.85 -1.96 0.68 115.31 123.60 3dh4 h LEU 126 Ca -0.09 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.82 3dh4 h LEU 126 Cb 0.71 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 3dh4 h LEU 126 CO 0.15 -0.03 0.26 0.50 -0.34 0.00 0.00 178.44 178.98 3dh4 h LYS 127 N 0.27 0.49 -0.69 1.25 3.64 -1.27 -2.30 116.57 117.96 3dh4 h LYS 127 Ca 0.41 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.68 3dh4 h LYS 127 Cb 0.68 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 3dh4 h LYS 127 CO -0.50 0.32 0.14 1.15 -2.27 0.00 0.00 179.45 178.30 3dh4 h THR 128 N 0.50 1.26 -0.22 1.00 2.02 0.44 -0.73 112.91 117.19 3dh4 h THR 128 Ca 0.23 -1.01 0.05 0.00 0.77 0.00 0.00 66.41 66.46 3dh4 h THR 128 Cb 0.15 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 3dh4 h THR 128 CO -0.16 0.38 -0.14 0.40 0.37 0.00 0.00 175.52 176.37 3dh4 h ILE 129 N 1.06 0.59 -0.58 3.11 2.04 -0.78 -1.41 117.51 121.55 3dh4 h ILE 129 Ca 0.21 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.07 3dh4 h ILE 129 Cb 0.41 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3dh4 h ILE 129 CO 0.01 0.00 0.35 -0.07 0.00 0.00 0.00 178.15 178.44 3dh4 h LEU 130 N -0.12 0.69 -0.84 1.44 4.07 -1.12 -0.71 115.31 118.71 3dh4 h LEU 130 Ca 0.13 -0.05 0.20 0.00 0.08 0.00 0.00 57.88 58.24 3dh4 h LEU 130 Cb 0.31 -0.17 -0.15 0.00 1.08 0.00 0.00 40.66 41.73 3dh4 h LEU 130 CO -0.30 0.54 0.03 0.00 -1.08 0.00 0.00 178.44 177.63 3dh4 h ALA 131 N 1.18 0.94 -0.02 1.53 0.00 -0.64 0.60 119.26 122.85 3dh4 h ALA 131 Ca 0.21 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 3dh4 h ALA 131 Cb -0.03 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3dh4 h ALA 131 CO -0.04 -0.46 0.01 0.28 0.00 0.00 0.00 179.25 179.04 3dh4 h VAL 132 N 0.09 1.07 -0.24 0.00 2.07 -0.07 -0.45 116.25 118.72 3dh4 h VAL 132 Ca 0.48 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.79 3dh4 h VAL 132 Cb 0.90 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3dh4 h VAL 132 CO -0.74 0.06 0.15 -0.26 0.02 0.00 0.00 177.57 176.80 3dh4 h PHE 133 N -0.06 0.28 0.46 1.57 0.05 -0.18 -1.85 116.94 117.21 3dh4 h PHE 133 Ca 0.01 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.79 3dh4 h PHE 133 Cb 0.09 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 37.93 3dh4 h PHE 133 CO -0.05 0.17 -0.41 -1.49 -0.18 0.00 0.00 178.31 176.35 3dh4 h TRP 134 N 0.30 -1.12 -0.61 -0.55 6.55 0.29 -0.43 115.95 120.39 3dh4 h TRP 134 Ca 0.09 0.00 0.13 0.00 0.95 0.00 0.00 58.89 60.06 3dh4 h TRP 134 Cb -0.01 0.43 -0.11 0.00 -0.86 0.00 0.00 29.16 28.61 3dh4 h TRP 134 CO -0.07 -0.56 -0.04 -0.84 -1.05 0.00 0.00 178.44 175.88 3dh4 h ILE 135 N -0.85 0.47 -0.50 1.49 3.07 -1.03 0.29 117.51 120.45 3dh4 h ILE 135 Ca -0.06 -0.03 0.10 0.00 1.55 0.00 0.00 64.86 66.42 3dh4 h ILE 135 Cb 0.72 0.38 -0.10 0.00 -0.27 0.00 0.00 36.82 37.56 3dh4 h ILE 135 CO -0.02 0.01 -0.17 0.28 -1.05 0.00 0.00 178.15 177.20 3dh4 h SER 136 N 0.08 -0.61 -0.51 2.16 0.02 -1.12 -1.76 113.55 111.81 3dh4 h SER 136 Ca 0.31 0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 61.36 3dh4 h SER 136 Cb 0.50 0.36 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 3dh4 h SER 136 CO -0.55 -0.21 0.06 0.25 -1.14 0.00 0.00 176.83 175.25 3dh4 h LEU 137 N -0.05 0.82 -0.61 5.07 6.46 0.12 -1.70 115.31 125.42 3dh4 h LEU 137 Ca 0.24 -0.27 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 3dh4 h LEU 137 Cb 0.42 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 3dh4 h LEU 137 CO -0.55 0.89 0.23 1.88 -0.62 0.00 0.00 178.44 180.27 3dh4 h TYR 138 N 0.73 0.94 0.61 1.25 -1.99 -0.18 -2.32 116.97 116.00 3dh4 h TYR 138 Ca 0.15 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 3dh4 h TYR 138 Cb 0.43 -0.28 0.01 0.00 2.00 0.00 0.00 36.73 38.89 3dh4 h TYR 138 CO 0.03 0.75 -0.29 0.82 -0.00 0.00 0.00 178.16 179.47 3dh4 h ILE 139 N 0.85 0.00 0.00 -2.88 2.04 -1.28 0.44 117.51 116.68 3dh4 h ILE 139 Ca 0.20 -0.24 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 3dh4 h ILE 139 Cb 0.22 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 3dh4 h ILE 139 CO -0.01 0.00 -0.46 -0.26 0.00 0.00 0.00 178.15 177.42 3dh4 h PHE 140 N -1.06 0.00 0.00 1.37 0.05 -1.32 -2.97 116.94 113.02 3dh4 h PHE 140 Ca -0.08 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.71 3dh4 h PHE 140 Cb 0.63 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.58 3dh4 h PHE 140 CO 0.03 0.46 0.00 1.55 -0.18 0.00 0.00 178.31 180.17 3dh4 n VAL 141 N -3.45 0.00 -0.16 -0.55 3.14 -0.89 -4.63 118.33 111.79 3dh4 n VAL 141 Ca 0.00 0.10 -0.05 0.00 -2.96 0.00 0.00 64.34 61.44 3dh4 n VAL 141 Cb 0.60 -0.96 0.01 0.00 -1.06 0.00 0.00 33.84 32.43 3dh4 n VAL 141 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 3dh4 h ASN 142 N 0.00 -0.96 0.38 6.55 2.35 -1.45 1.22 115.58 123.67 3dh4 h ASN 142 Ca 0.00 0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3dh4 h ASN 142 Cb 0.00 0.49 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3dh4 h ASN 142 CO 0.00 -0.28 -0.18 -0.07 -1.65 0.00 0.00 177.43 175.24 3dh4 h LEU 143 N -0.16 -0.44 -0.53 1.61 3.38 -1.03 -2.29 115.31 115.85 3dh4 h LEU 143 Ca 0.22 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.15 3dh4 h LEU 143 Cb 0.52 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 3dh4 h LEU 143 CO -0.60 -0.07 -0.37 0.74 0.09 0.00 0.00 178.44 178.23 3dh4 h THR 144 N -0.86 0.15 -0.06 0.22 2.02 -0.97 0.67 112.91 114.08 3dh4 h THR 144 Ca -0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.16 3dh4 h THR 144 Cb 0.54 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 3dh4 h THR 144 CO 0.09 0.00 -0.16 0.77 0.37 0.00 0.00 175.52 176.58 3dh4 h SER 145 N -0.22 -0.49 -0.06 4.18 4.64 0.14 0.48 113.55 122.22 3dh4 h SER 145 Ca 0.20 0.08 -0.14 0.00 -0.47 0.00 0.00 61.79 61.46 3dh4 h SER 145 Cb 0.56 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 3dh4 h SER 145 CO -0.64 -0.22 -0.41 0.58 -0.87 0.00 0.00 176.83 175.27 3dh4 h VAL 146 N -0.24 1.30 -0.42 0.95 2.07 -0.79 0.62 116.25 119.74 3dh4 h VAL 146 Ca 0.07 -1.58 0.05 0.00 0.82 0.00 0.00 66.70 66.06 3dh4 h VAL 146 Cb 0.34 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3dh4 h VAL 146 CO -0.20 0.50 0.17 -0.07 0.02 0.00 0.00 177.57 177.99 3dh4 h LEU 147 N 0.48 0.21 0.60 2.57 3.38 0.65 0.26 115.31 123.47 3dh4 h LEU 147 Ca 0.04 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3dh4 h LEU 147 Cb 0.91 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.68 3dh4 h LEU 147 CO 0.08 0.16 -0.29 0.22 0.09 0.00 0.00 178.44 178.70 3dh4 h TYR 148 N 0.35 -0.75 -1.00 1.13 3.20 -0.42 -1.48 116.97 118.00 3dh4 h TYR 148 Ca 0.19 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.25 3dh4 h TYR 148 Cb 0.15 0.25 -0.11 0.00 1.54 0.00 0.00 36.73 38.56 3dh4 h TYR 148 CO -0.13 -0.47 0.61 -0.07 -1.64 0.00 0.00 178.16 176.46 3dh4 h LEU 149 N -1.15 0.70 0.09 2.82 3.38 0.25 0.13 115.31 121.53 3dh4 h LEU 149 Ca -0.08 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dh4 h LEU 149 Cb 0.62 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3dh4 h LEU 149 CO 0.14 0.21 -0.05 1.23 0.09 0.00 0.00 178.44 180.06 3dh4 h GLY 150 N 0.66 -0.13 0.17 0.83 0.00 -0.50 -3.09 103.07 101.00 3dh4 h GLY 150 Ca 0.59 0.05 0.07 0.00 0.00 0.00 0.00 47.33 48.04 3dh4 h GLY 150 CO -0.38 -0.05 -0.18 -1.33 0.00 0.00 0.00 176.54 174.59 3dh4 h GLY 151 N -0.30 0.02 -0.50 4.60 0.00 0.30 -1.50 103.07 105.70 3dh4 h GLY 151 Ca -0.01 0.23 0.19 0.00 0.00 0.00 0.00 47.33 47.74 3dh4 h GLY 151 CO 0.02 -0.18 -0.00 1.41 0.00 0.00 0.00 176.54 177.79 3dh4 h LEU 152 N -0.15 -0.40 -0.77 3.11 3.38 -1.15 -0.28 115.31 119.06 3dh4 h LEU 152 Ca 0.16 0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.39 3dh4 h LEU 152 Cb 0.39 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 3dh4 h LEU 152 CO -0.40 -0.22 0.47 0.00 0.09 0.00 0.00 178.44 178.39 3dh4 h ALA 153 N 1.77 1.04 0.19 1.53 0.00 -1.19 0.30 119.26 122.90 3dh4 h ALA 153 Ca 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 3dh4 h ALA 153 Cb 0.81 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3dh4 h ALA 153 CO -0.73 0.22 -0.09 -0.07 0.00 0.00 0.00 179.25 178.58 3dh4 h LEU 154 N 0.89 -0.22 -0.91 0.00 3.38 -0.90 0.40 115.31 117.95 3dh4 h LEU 154 Ca 0.33 -0.31 0.26 0.00 0.09 0.00 0.00 57.88 58.24 3dh4 h LEU 154 Cb 0.11 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 40.77 3dh4 h LEU 154 CO -0.15 0.28 0.25 -0.08 0.09 0.00 0.00 178.44 178.83 3dh4 h GLU 155 N -0.83 0.18 0.04 1.13 4.81 -1.05 0.40 114.58 119.26 3dh4 h GLU 155 Ca -0.03 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3dh4 h GLU 155 Cb 0.52 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3dh4 h GLU 155 CO 0.04 0.12 -0.02 1.15 -0.73 0.00 0.00 179.01 179.57 3dh4 h THR 156 N 0.18 0.05 -0.46 0.32 2.02 -0.85 -3.25 112.91 110.91 3dh4 h THR 156 Ca 0.59 -1.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.67 3dh4 h THR 156 Cb 1.23 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3dh4 h THR 156 CO -0.69 0.02 -0.11 -0.29 0.37 0.00 0.00 175.52 174.82 3dh4 h ILE 157 N -1.01 1.26 -6.11 3.11 2.10 -0.07 -3.43 117.51 113.35 3dh4 h ILE 157 Ca -0.01 -1.19 -0.47 0.00 1.08 0.00 0.00 64.86 64.27 3dh4 h ILE 157 Cb 0.06 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.82 3dh4 h ILE 157 CO 0.01 0.41 -0.13 0.18 -1.08 0.00 0.00 178.15 177.54 3dh4 n LEU 158 N -4.16 0.00 -4.23 2.19 4.77 0.14 -4.83 117.00 110.88 3dh4 n LEU 158 Ca 0.01 -2.40 -0.42 0.00 -0.03 0.00 0.00 56.01 53.18 3dh4 n LEU 158 Cb 0.37 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3dh4 n LEU 158 CO 0.44 -0.64 0.71 0.61 -1.33 0.00 0.00 177.39 177.17 3dh4 n GLY 159 N -1.29 4.31 3.14 -0.72 0.00 -1.26 -4.44 105.19 104.93 3dh4 n GLY 159 Ca 0.09 -2.60 -0.12 0.00 0.00 0.00 0.00 46.02 43.39 3dh4 n GLY 159 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dh4 s ILE 160 N -1.51 0.67 0.26 -0.61 1.01 -1.23 -5.03 121.20 114.76 3dh4 s ILE 160 Ca 0.30 -1.63 -0.06 0.00 0.00 0.00 0.00 60.65 59.27 3dh4 s ILE 160 Cb -0.07 -1.30 -0.06 0.00 0.01 0.00 0.00 42.46 41.04 3dh4 s ILE 160 CO -0.07 -0.68 0.53 -2.16 0.00 0.00 0.00 174.94 172.55 3dh4 s PRO 161 N -3.00 3.66 0.04 2.79 0.04 -1.26 -4.20 135.00 133.06 3dh4 s PRO 161 Ca 0.04 0.04 -0.25 0.00 0.04 0.00 0.00 61.00 60.87 3dh4 s PRO 161 Cb -0.00 -2.67 -0.17 0.00 0.04 0.00 0.00 34.50 31.69 3dh4 s PRO 161 CO -0.03 0.27 1.51 1.25 0.04 0.00 0.00 177.00 180.04 3dh4 h LEU 162 N 1.99 -0.06 -0.86 -3.56 5.85 -1.98 -0.78 115.31 115.90 3dh4 h LEU 162 Ca -0.47 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.05 3dh4 h LEU 162 Cb 1.18 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 3dh4 h LEU 162 CO 0.67 0.16 0.53 -0.03 -0.34 0.00 0.00 178.44 179.44 3dh4 h MET 163 N -0.29 1.16 -0.69 1.25 4.05 -1.97 0.33 114.93 118.78 3dh4 h MET 163 Ca -0.01 -0.10 -0.06 0.00 -0.28 0.00 0.00 59.70 59.25 3dh4 h MET 163 Cb 0.25 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 30.78 3dh4 h MET 163 CO 0.01 0.81 0.19 1.88 0.23 0.00 0.00 176.91 180.03 3dh4 h TYR 164 N 1.18 1.13 0.02 1.39 -1.99 -1.97 -2.59 116.97 114.14 3dh4 h TYR 164 Ca 0.31 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 60.92 3dh4 h TYR 164 Cb -0.06 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 38.34 3dh4 h TYR 164 CO -0.00 0.91 -0.01 0.77 -0.00 0.00 0.00 178.16 179.83 3dh4 h SER 165 N 1.04 -0.02 0.18 3.88 0.02 0.56 0.65 113.55 119.86 3dh4 h SER 165 Ca 0.22 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3dh4 h SER 165 Cb 0.33 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3dh4 h SER 165 CO -0.00 0.10 -0.17 0.16 -1.14 0.00 0.00 176.83 175.77 3dh4 h ILE 166 N -0.14 1.09 0.14 3.27 3.07 -0.42 0.45 117.51 124.97 3dh4 h ILE 166 Ca -0.00 -0.58 -0.31 0.00 1.55 0.00 0.00 64.86 65.52 3dh4 h ILE 166 Cb 0.13 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 38.00 3dh4 h ILE 166 CO 0.00 0.16 -1.48 -0.07 -1.05 0.00 0.00 178.15 175.72 3dh4 h LEU 167 N 0.00 0.47 -2.16 0.16 3.38 -1.30 0.43 115.31 116.28 3dh4 h LEU 167 Ca -0.00 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.38 3dh4 h LEU 167 Cb 0.30 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3dh4 h LEU 167 CO 0.02 1.48 0.03 1.23 0.09 0.00 0.00 178.44 181.29 3dh4 h GLY 168 N 1.41 0.00 0.56 0.83 0.00 0.10 0.39 103.07 106.36 3dh4 h GLY 168 Ca -0.23 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 3dh4 h GLY 168 CO 0.19 0.00 -0.81 1.41 0.00 0.00 0.00 176.54 177.32 3dh4 h LEU 169 N 0.00 0.38 -0.02 3.11 3.38 -0.06 -3.31 115.31 118.79 3dh4 h LEU 169 Ca 0.02 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.05 3dh4 h LEU 169 Cb 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3dh4 h LEU 169 CO -0.00 1.38 0.01 0.00 0.09 0.00 0.00 178.44 179.92 3dh4 h ALA 170 N 0.03 0.02 -0.97 1.53 0.00 0.59 0.15 119.26 120.62 3dh4 h ALA 170 Ca -0.16 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 54.89 3dh4 h ALA 170 Cb 1.57 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.26 3dh4 h ALA 170 CO 0.11 -0.46 0.58 -0.07 0.00 0.00 0.00 179.25 179.41 3dh4 h LEU 171 N -0.01 0.79 -0.05 0.00 3.38 -0.45 -2.55 115.31 116.42 3dh4 h LEU 171 Ca 0.01 0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 3dh4 h LEU 171 Cb 0.03 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.72 3dh4 h LEU 171 CO -0.00 0.35 -0.83 -0.26 0.09 0.00 0.00 178.44 177.79 3dh4 h PHE 172 N 0.83 0.92 -0.59 1.13 -1.00 -1.47 -2.91 116.94 113.85 3dh4 h PHE 172 Ca 0.52 -0.47 0.06 0.00 2.81 0.00 0.00 57.97 60.89 3dh4 h PHE 172 Cb 0.68 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 40.09 3dh4 h PHE 172 CO -0.02 1.30 0.39 0.00 -1.61 0.00 0.00 178.31 178.36 3dh4 h ALA 173 N 0.42 1.83 0.65 2.45 0.00 -0.52 -2.40 119.26 121.70 3dh4 h ALA 173 Ca -0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3dh4 h ALA 173 Cb 1.49 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.14 3dh4 h ALA 173 CO 0.17 0.07 -0.31 -0.07 0.00 0.00 0.00 179.25 179.11 3dh4 h LEU 174 N 0.56 -0.73 -0.85 0.00 3.38 -1.41 -3.24 115.31 113.01 3dh4 h LEU 174 Ca 0.25 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.29 3dh4 h LEU 174 Cb 0.29 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 3dh4 h LEU 174 CO -0.07 -0.40 0.50 0.58 0.09 0.00 0.00 178.44 179.14 3dh4 h VAL 175 N -1.09 0.95 0.00 1.22 2.07 -1.30 0.19 116.25 118.30 3dh4 h VAL 175 Ca -0.09 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3dh4 h VAL 175 Cb 0.71 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3dh4 h VAL 175 CO 0.15 0.16 0.00 0.22 0.02 0.00 0.00 177.57 178.11 3dh4 h TYR 176 N 0.86 0.00 0.05 1.57 3.20 -1.54 -2.73 116.97 118.37 3dh4 h TYR 176 Ca 0.40 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 62.12 3dh4 h TYR 176 Cb 0.31 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3dh4 h TYR 176 CO -0.05 0.00 -0.78 0.77 -1.64 0.00 0.00 178.16 176.46 3dh4 h SER 177 N 0.00 0.15 -2.12 -2.11 0.02 -1.00 -3.52 113.55 104.97 3dh4 h SER 177 Ca 0.00 -0.83 -0.77 0.00 -0.84 0.00 0.00 61.79 59.35 3dh4 h SER 177 Cb 0.28 -0.05 -0.28 0.00 0.14 0.00 0.00 62.40 62.49 3dh4 h SER 177 CO 0.00 1.33 0.90 -0.38 -1.14 0.00 0.00 176.83 177.54 3dh4 n ILE 178 N -4.34 4.79 -0.04 3.27 -0.00 -0.81 -5.14 119.36 117.09 3dh4 n ILE 178 Ca -0.20 -5.23 0.00 0.00 -0.00 0.00 0.00 62.75 57.32 3dh4 n ILE 178 Cb 0.68 -1.40 0.00 0.00 -0.00 0.00 0.00 39.64 38.91 3dh4 n ILE 178 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.55 177.88 3dh4 n VAL 185 N -0.28 0.00 -0.59 1.39 0.24 -1.26 -4.98 118.33 112.85 3dh4 n VAL 185 Ca 0.49 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.79 3dh4 n VAL 185 Cb 0.27 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 3dh4 n VAL 185 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3dh4 n VAL 186 N 0.00 0.30 -0.25 3.34 0.31 -1.26 -4.30 118.33 116.47 3dh4 n VAL 186 Ca 0.00 -0.35 -0.07 0.00 -0.01 0.00 0.00 64.34 63.91 3dh4 n VAL 186 Cb 0.00 1.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.98 3dh4 n VAL 186 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 3dh4 h TRP 187 N 0.00 1.10 -0.00 3.52 7.01 -2.01 -3.28 115.95 122.29 3dh4 h TRP 187 Ca 0.00 -0.11 -0.27 0.00 2.11 0.00 0.00 58.89 60.62 3dh4 h TRP 187 Cb 0.67 -0.32 0.02 0.00 -2.10 0.00 0.00 29.16 27.43 3dh4 h TRP 187 CO 0.00 0.88 -1.05 1.79 -2.79 0.00 0.00 178.44 177.28 3dh4 h THR 188 N 1.01 1.28 0.00 2.65 1.35 -1.97 -3.22 112.91 114.00 3dh4 h THR 188 Ca 0.22 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 3dh4 h THR 188 Cb 0.29 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 3dh4 h THR 188 CO -0.01 0.69 0.00 0.47 -0.25 0.00 0.00 175.52 176.43 3dh4 n ASP 189 N -3.86 0.00 -0.08 5.36 8.00 -1.24 -2.44 116.55 122.28 3dh4 n ASP 189 Ca -0.11 -0.82 -0.16 0.00 0.71 0.00 0.00 54.79 54.40 3dh4 n ASP 189 Cb 0.88 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.93 3dh4 n ASP 189 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3dh4 n VAL 190 N -0.82 1.18 0.00 2.53 0.31 -1.23 -4.39 118.33 115.91 3dh4 n VAL 190 Ca 0.09 -0.12 0.14 0.00 -0.01 0.00 0.00 64.34 64.45 3dh4 n VAL 190 Cb 0.04 -1.88 0.59 0.00 -0.91 0.00 0.00 33.84 31.69 3dh4 n VAL 190 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3dh4 h ILE 191 N -0.70 0.86 -0.18 2.52 2.04 -1.56 -1.64 117.51 118.85 3dh4 h ILE 191 Ca -0.34 -0.07 -0.16 0.00 1.00 0.00 0.00 64.86 65.29 3dh4 h ILE 191 Cb 1.21 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3dh4 h ILE 191 CO -0.21 0.04 -0.50 1.56 0.00 0.00 0.00 178.15 179.03 3dh4 h GLN 192 N 0.20 0.66 -0.45 2.37 1.08 -1.75 -2.75 115.11 114.46 3dh4 h GLN 192 Ca 0.22 -0.47 0.01 0.00 -1.45 0.00 0.00 58.65 56.97 3dh4 h GLN 192 Cb 0.62 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.10 3dh4 h GLN 192 CO -0.04 1.09 0.29 0.28 -0.95 0.00 0.00 178.83 179.50 3dh4 h VAL 193 N 0.35 1.08 0.14 -0.54 2.07 -1.51 0.17 116.25 118.01 3dh4 h VAL 193 Ca -0.01 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3dh4 h VAL 193 Cb 1.12 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3dh4 h VAL 193 CO 0.11 0.11 -0.07 0.15 0.02 0.00 0.00 177.57 177.88 3dh4 h PHE 194 N 0.58 -0.18 -0.59 1.57 3.57 -1.60 -1.14 116.94 119.14 3dh4 h PHE 194 Ca 0.17 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.76 3dh4 h PHE 194 Cb -0.03 0.06 -0.11 0.00 2.79 0.00 0.00 35.95 38.66 3dh4 h PHE 194 CO -0.06 -0.11 -0.42 0.74 -2.23 0.00 0.00 178.31 176.23 3dh4 h PHE 195 N -0.20 -1.22 0.00 0.41 0.04 -1.08 -2.31 116.94 112.57 3dh4 h PHE 195 Ca -0.02 0.08 -0.24 0.00 2.80 0.00 0.00 57.97 60.60 3dh4 h PHE 195 Cb 0.15 0.62 -0.04 0.00 2.20 0.00 0.00 35.95 38.89 3dh4 h PHE 195 CO -0.07 -0.42 -1.25 -0.07 -0.60 0.00 0.00 178.31 175.90 3dh4 h LEU 196 N -0.21 0.00 -0.38 1.54 3.38 -0.96 -0.62 115.31 118.05 3dh4 h LEU 196 Ca 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3dh4 h LEU 196 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3dh4 h LEU 196 CO -0.70 1.00 0.13 0.58 0.09 0.00 0.00 178.44 179.54 3dh4 h VAL 197 N 0.00 1.21 -0.67 1.22 2.07 -1.14 0.38 116.25 119.32 3dh4 h VAL 197 Ca -0.11 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 3dh4 h VAL 197 Cb 1.85 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 3dh4 h VAL 197 CO 0.11 0.23 0.14 0.25 0.02 0.00 0.00 177.57 178.32 3dh4 h LEU 198 N 0.47 1.04 0.72 2.57 5.85 -1.44 -2.14 115.31 122.38 3dh4 h LEU 198 Ca 0.12 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 3dh4 h LEU 198 Cb 0.24 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3dh4 h LEU 198 CO -0.01 1.02 -0.46 1.23 -0.34 0.00 0.00 178.44 179.88 3dh4 h GLY 199 N 1.02 -1.24 0.67 3.75 0.00 -0.73 0.45 103.07 106.99 3dh4 h GLY 199 Ca 0.21 0.52 0.10 0.00 0.00 0.00 0.00 47.33 48.15 3dh4 h GLY 199 CO 0.01 -0.42 0.60 -1.33 0.00 0.00 0.00 176.54 175.40 3dh4 h GLY 200 N -1.11 1.41 1.03 4.60 0.00 -0.30 -1.14 103.07 107.57 3dh4 h GLY 200 Ca -0.09 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 3dh4 h GLY 200 CO 0.08 0.22 -0.23 -2.75 0.00 0.00 0.00 176.54 173.87 3dh4 h PHE 201 N 0.97 0.98 0.84 5.60 3.57 -1.26 -1.53 116.94 126.11 3dh4 h PHE 201 Ca 0.44 -0.25 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3dh4 h PHE 201 Cb 0.38 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3dh4 h PHE 201 CO -0.00 1.03 -0.48 0.52 -2.23 0.00 0.00 178.31 177.15 3dh4 h MET 202 N 0.64 -1.18 -0.29 1.11 2.86 0.10 0.62 114.93 118.80 3dh4 h MET 202 Ca 0.08 0.08 0.05 0.00 -2.06 0.00 0.00 59.70 57.85 3dh4 h MET 202 Cb 0.79 0.27 -0.08 0.00 0.06 0.00 0.00 31.60 32.64 3dh4 h MET 202 CO 0.06 -0.79 -0.49 1.15 1.06 0.00 0.00 176.91 177.90 3dh4 h THR 203 N -1.22 0.05 -0.83 2.22 2.02 -1.34 -1.42 112.91 112.39 3dh4 h THR 203 Ca -0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3dh4 h THR 203 Cb 0.96 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 3dh4 h THR 203 CO 0.14 0.00 0.54 0.00 0.37 0.00 0.00 175.52 176.57 3dh4 h THR 204 N -0.44 1.16 0.59 3.16 1.03 -1.10 -0.86 112.91 116.45 3dh4 h THR 204 Ca 0.08 -0.37 -0.03 0.00 -0.01 0.00 0.00 66.41 66.09 3dh4 h THR 204 Cb 0.62 -0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 67.70 3dh4 h THR 204 CO -0.52 0.20 -0.33 0.22 -0.01 0.00 0.00 175.52 175.08 3dh4 h TYR 205 N 1.07 -0.86 -0.02 0.00 3.20 0.68 -2.64 116.97 118.40 3dh4 h TYR 205 Ca 0.32 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 3dh4 h TYR 205 Cb -0.05 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3dh4 h TYR 205 CO -0.02 -0.51 -0.26 0.00 -1.64 0.00 0.00 178.16 175.73 3dh4 h MET 206 N -0.86 0.04 0.19 1.82 -0.00 -1.01 0.03 114.93 115.15 3dh4 h MET 206 Ca -0.08 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.60 3dh4 h MET 206 Cb 0.68 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.28 3dh4 h MET 206 CO 0.10 0.30 -0.09 0.00 -0.00 0.00 0.00 176.91 177.22 3dh4 h ALA 207 N 1.70 -0.26 -0.13 -3.00 0.00 -1.06 -1.71 119.26 114.81 3dh4 h ALA 207 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3dh4 h ALA 207 Cb 0.48 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3dh4 h ALA 207 CO 0.03 -0.60 -0.29 0.28 0.00 0.00 0.00 179.25 178.68 3dh4 h VAL 208 N -0.35 1.25 -0.72 0.00 2.07 -1.15 -2.08 116.25 115.27 3dh4 h VAL 208 Ca -0.03 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.35 3dh4 h VAL 208 Cb 0.27 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3dh4 h VAL 208 CO 0.04 0.37 0.47 -1.28 0.02 0.00 0.00 177.57 177.19 3dh4 h SER 209 N 0.22 0.65 -0.19 0.57 0.87 -0.80 -2.53 113.55 112.34 3dh4 h SER 209 Ca 0.03 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 3dh4 h SER 209 Cb 0.63 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3dh4 h SER 209 CO 0.05 0.42 -0.15 0.15 -0.53 0.00 0.00 176.83 176.76 3dh4 h PHE 210 N 0.74 0.52 -0.11 2.24 3.57 -0.59 -2.02 116.94 121.27 3dh4 h PHE 210 Ca 0.31 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3dh4 h PHE 210 Cb 0.27 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3dh4 h PHE 210 CO -0.00 0.78 0.07 0.82 -2.23 0.00 0.00 178.31 177.75 3dh4 h ILE 211 N 0.11 1.05 -0.23 1.41 2.04 -1.34 -2.65 117.51 117.90 3dh4 h ILE 211 Ca 0.03 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 3dh4 h ILE 211 Cb 0.68 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3dh4 h ILE 211 CO 0.04 0.04 -0.16 1.23 0.00 0.00 0.00 178.15 179.30 3dh4 h GLY 212 N 0.13 0.43 0.00 5.37 0.00 -1.53 -3.44 103.07 104.03 3dh4 h GLY 212 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3dh4 h GLY 212 CO -0.01 0.28 0.00 0.61 0.00 0.00 0.00 176.54 177.42 3dh4 n GLY 213 N -0.65 0.41 0.00 4.60 0.00 -0.76 -1.99 105.19 106.80 3dh4 n GLY 213 Ca -0.00 0.60 0.09 0.00 0.00 0.00 0.00 46.02 46.71 3dh4 n GLY 213 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dh4 n THR 214 N 0.00 0.00 -0.06 2.61 -2.24 -1.26 -4.29 114.28 109.04 3dh4 n THR 214 Ca 0.00 -0.05 0.09 0.00 -2.27 0.00 0.00 64.05 61.83 3dh4 n THR 214 Cb 0.00 0.96 0.28 0.00 -2.10 0.00 0.00 70.33 69.47 3dh4 n THR 214 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3dh4 n ASP 215 N -1.50 3.55 0.00 3.42 8.00 -0.84 -5.05 116.55 124.12 3dh4 n ASP 215 Ca 0.03 -2.11 0.00 0.00 0.71 0.00 0.00 54.79 53.43 3dh4 n ASP 215 Cb 0.32 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3dh4 n ASP 215 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dh4 n GLY 216 N 1.35 1.57 0.09 0.44 0.00 -1.26 -4.39 105.19 103.00 3dh4 n GLY 216 Ca 0.21 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 3dh4 n GLY 216 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3dh4 h TRP 217 N 0.00 -0.11 -0.62 1.61 7.01 -1.88 -3.11 115.95 118.84 3dh4 h TRP 217 Ca 0.00 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 3dh4 h TRP 217 Cb 0.00 0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 3dh4 h TRP 217 CO 0.00 0.19 0.33 0.35 -2.79 0.00 0.00 178.44 176.52 3dh4 h PHE 218 N -0.42 0.86 -0.93 2.65 3.57 -1.90 -2.24 116.94 118.52 3dh4 h PHE 218 Ca -0.01 -0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.67 3dh4 h PHE 218 Cb 0.36 -0.27 -0.12 0.00 2.79 0.00 0.00 35.95 38.71 3dh4 h PHE 218 CO 0.03 0.63 0.48 0.00 -2.23 0.00 0.00 178.31 177.21 3dh4 h ALA 219 N 1.15 1.53 -0.98 2.41 0.00 -1.76 0.30 119.26 121.91 3dh4 h ALA 219 Ca 0.22 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.30 3dh4 h ALA 219 Cb 0.06 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3dh4 h ALA 219 CO -0.03 -0.25 0.64 0.78 0.00 0.00 0.00 179.25 180.39 3dh4 h GLY 220 N 0.53 1.43 0.88 0.00 0.00 -1.34 0.28 103.07 104.86 3dh4 h GLY 220 Ca 0.57 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3dh4 h GLY 220 CO -0.47 0.40 -0.25 -2.08 0.00 0.00 0.00 176.54 174.14 3dh4 h VAL 221 N 1.22 0.48 -0.87 4.60 2.07 -0.32 -0.63 116.25 122.80 3dh4 h VAL 221 Ca 0.39 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.99 3dh4 h VAL 221 Cb 0.04 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 3dh4 h VAL 221 CO -0.13 0.00 0.57 -1.28 0.02 0.00 0.00 177.57 176.75 3dh4 h SER 222 N -0.62 0.83 0.05 0.57 0.87 -0.55 -1.58 113.55 113.13 3dh4 h SER 222 Ca -0.04 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3dh4 h SER 222 Cb 0.51 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3dh4 h SER 222 CO 0.04 0.52 -0.03 0.50 -0.53 0.00 0.00 176.83 177.34 3dh4 h LYS 223 N 0.93 -0.07 0.00 2.24 3.64 -0.25 -1.43 116.57 121.63 3dh4 h LYS 223 Ca 0.38 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.73 3dh4 h LYS 223 Cb 0.28 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3dh4 h LYS 223 CO -0.15 0.22 -0.19 0.00 -2.27 0.00 0.00 179.45 177.06 3dh4 h MET 224 N -0.36 0.00 -0.01 1.90 -0.00 -0.61 0.43 114.93 116.28 3dh4 h MET 224 Ca -0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.53 3dh4 h MET 224 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.90 3dh4 h MET 224 CO 0.01 0.19 -0.73 -0.24 -0.00 0.00 0.00 176.91 176.14 3dh4 h VAL 225 N 0.00 1.49 -0.25 -0.10 3.04 -1.23 -0.49 116.25 118.71 3dh4 h VAL 225 Ca -0.00 -2.41 -0.09 0.00 -1.01 0.00 0.00 66.70 63.19 3dh4 h VAL 225 Cb 0.38 2.30 -0.00 0.00 -2.01 0.00 0.00 31.29 31.95 3dh4 h VAL 225 CO 0.03 0.70 -0.20 -0.78 -1.01 0.00 0.00 177.57 176.30 3dh4 h ASP 226 N 0.06 0.60 1.83 3.17 3.58 0.14 -2.77 116.42 123.04 3dh4 h ASP 226 Ca -0.02 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 56.98 3dh4 h ASP 226 Cb 1.30 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.18 3dh4 h ASP 226 CO 0.10 0.93 -0.05 0.00 -2.88 0.00 0.00 179.24 177.35 3dh4 h ALA 227 N 0.69 0.97 -1.51 -0.78 0.00 -0.21 -3.37 119.26 115.05 3dh4 h ALA 227 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.51 3dh4 h ALA 227 Cb 0.75 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.20 3dh4 h ALA 227 CO 0.05 0.00 -0.99 0.00 0.00 0.00 0.00 179.25 178.31 3dh4 n ALA 228 N -2.03 1.40 0.25 0.00 0.00 -0.20 -4.95 120.51 114.97 3dh4 n ALA 228 Ca 0.04 -2.92 0.14 0.00 0.00 0.00 0.00 53.44 50.70 3dh4 n ALA 228 Cb 0.51 -0.97 0.57 0.00 0.00 0.00 0.00 19.45 19.57 3dh4 n ALA 228 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3dh4 h PRO 229 N 3.42 0.00 -0.24 0.00 0.13 -1.66 -2.38 132.00 131.27 3dh4 h PRO 229 Ca 0.04 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.24 3dh4 h PRO 229 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 3dh4 h PRO 229 CO 0.42 0.09 0.21 0.78 -0.23 0.00 0.00 178.00 179.27 3dh4 h GLY 230 N 2.13 0.00 -1.29 1.56 0.00 -1.93 -2.22 103.07 101.32 3dh4 h GLY 230 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dh4 h GLY 230 CO 0.01 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.97 3dh4 n HIS 231 N -4.10 0.47 -0.10 5.60 8.25 -0.89 -3.67 115.22 120.78 3dh4 n HIS 231 Ca 0.03 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3dh4 n HIS 231 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3dh4 n HIS 231 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3dh4 n PHE 232 N 0.54 0.00 -1.85 4.41 3.01 -0.84 -0.59 117.46 122.14 3dh4 n PHE 232 Ca 0.12 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.16 3dh4 n PHE 232 Cb 0.30 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.74 3dh4 n PHE 232 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3dh4 s GLU 233 N -0.32 4.18 0.02 -1.08 2.02 -1.22 -4.86 118.70 117.43 3dh4 s GLU 233 Ca 0.00 2.46 0.22 0.00 0.02 0.00 0.00 54.97 57.67 3dh4 s GLU 233 Cb 0.00 -3.12 -0.26 0.00 0.10 0.00 0.00 34.13 30.85 3dh4 s GLU 233 CO 0.00 -0.67 0.59 -1.33 0.02 0.00 0.00 175.26 173.87 3dh4 n MET 234 N 3.98 0.65 -3.79 1.61 2.81 -1.26 -3.33 117.12 117.78 3dh4 n MET 234 Ca 0.15 -0.11 -0.29 0.00 -1.81 0.00 0.00 57.70 55.64 3dh4 n MET 234 Cb 0.37 -1.59 -0.16 0.00 -0.71 0.00 0.00 33.22 31.13 3dh4 n MET 234 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3dh4 s ILE 235 N -3.43 0.85 0.43 2.02 1.09 -1.26 -4.67 121.20 116.23 3dh4 s ILE 235 Ca -0.06 -0.89 -0.21 0.00 -1.10 0.00 0.00 60.65 58.39 3dh4 s ILE 235 Cb 0.13 -1.35 -0.11 0.00 -1.06 0.00 0.00 42.46 40.07 3dh4 s ILE 235 CO 0.88 -0.27 0.95 -0.76 -0.10 0.00 0.00 174.94 175.64 3dh4 s LEU 236 N 1.69 3.95 0.41 2.97 1.43 -1.26 -4.86 118.68 123.01 3dh4 s LEU 236 Ca -0.00 1.70 -0.03 0.00 -1.03 0.00 0.00 54.13 54.76 3dh4 s LEU 236 Cb -0.18 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.48 3dh4 s LEU 236 CO -0.11 -0.36 0.67 -1.81 0.23 0.00 0.00 176.35 174.97 3dh4 s ASP 237 N -2.16 6.31 0.32 2.29 1.11 -1.26 -3.73 116.67 119.55 3dh4 s ASP 237 Ca 0.62 0.74 0.04 0.00 0.18 0.00 0.00 52.55 54.13 3dh4 s ASP 237 Cb -0.09 -2.16 0.65 0.00 1.07 0.00 0.00 42.92 42.39 3dh4 s ASP 237 CO 0.13 -0.42 1.90 1.56 1.18 0.00 0.00 175.17 179.52 3dh4 h GLN 238 N 0.64 0.85 -0.53 8.23 4.20 -1.98 -2.18 115.11 124.34 3dh4 h GLN 238 Ca -0.48 -0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.28 3dh4 h GLN 238 Cb 1.21 -0.19 -0.08 0.00 0.30 0.00 0.00 27.48 28.71 3dh4 h GLN 238 CO 0.62 0.57 0.06 0.66 -0.67 0.00 0.00 178.83 180.07 3dh4 h SER 239 N 0.88 -0.10 -2.51 1.46 4.64 -2.04 -3.41 113.55 112.48 3dh4 h SER 239 Ca 0.41 0.11 -0.58 0.00 -0.47 0.00 0.00 61.79 61.26 3dh4 h SER 239 Cb 0.40 0.17 0.07 0.00 -0.31 0.00 0.00 62.40 62.74 3dh4 h SER 239 CO -0.17 -0.02 0.69 -3.20 -0.87 0.00 0.00 176.83 173.25 3dh4 n ASN 240 N -5.17 2.89 0.02 4.97 2.85 -0.82 -4.90 115.26 115.10 3dh4 n ASN 240 Ca 0.07 1.12 -0.12 0.00 -0.11 0.00 0.00 54.58 55.54 3dh4 n ASN 240 Cb 0.28 -1.43 0.01 0.00 1.24 0.00 0.00 39.78 39.88 3dh4 n ASN 240 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3dh4 h PRO 241 N 4.91 0.54 0.00 1.20 0.13 -1.86 -3.08 132.00 133.83 3dh4 h PRO 241 Ca -0.45 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 3dh4 h PRO 241 Cb 1.27 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3dh4 h PRO 241 CO 0.81 1.05 0.00 1.96 -0.23 0.00 0.00 178.00 181.59 3dh4 h GLN 242 N 0.37 0.00 -0.80 0.86 1.08 -1.93 -3.21 115.11 111.48 3dh4 h GLN 242 Ca -0.03 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.32 3dh4 h GLN 242 Cb 1.30 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.59 3dh4 h GLN 242 CO 0.13 0.00 -0.24 0.98 -0.95 0.00 0.00 178.83 178.75 3dh4 n TYR 243 N -3.01 0.19 0.30 2.96 9.36 -1.17 -0.19 117.16 125.61 3dh4 n TYR 243 Ca -0.02 0.97 0.17 0.00 3.32 0.00 0.00 57.90 62.34 3dh4 n TYR 243 Cb 0.11 -0.90 0.85 0.00 -0.63 0.00 0.00 39.34 38.77 3dh4 n TYR 243 CO 0.00 0.00 0.00 1.98 0.22 0.00 0.00 176.86 179.06 3dh4 h MET 244 N 0.00 0.00 0.00 2.98 4.05 -1.80 0.41 114.93 120.57 3dh4 h MET 244 Ca 0.34 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.73 3dh4 h MET 244 Cb 0.54 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 3dh4 h MET 244 CO -0.81 0.00 -1.49 0.09 0.23 0.00 0.00 176.91 174.94 3dh4 n ASN 245 N -3.05 0.50 -2.99 1.39 5.03 0.73 -3.66 115.26 113.20 3dh4 n ASN 245 Ca -0.01 0.20 -0.15 0.00 0.87 0.00 0.00 54.58 55.49 3dh4 n ASN 245 Cb 0.38 1.02 0.01 0.00 -1.02 0.00 0.00 39.78 40.16 3dh4 n ASN 245 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 3dh4 n LEU 246 N -2.55 -0.82 -4.05 3.41 7.94 0.13 -4.77 117.00 116.29 3dh4 n LEU 246 Ca -0.04 -4.29 -0.40 0.00 -1.11 0.00 0.00 56.01 50.17 3dh4 n LEU 246 Cb 0.62 0.78 -0.03 0.00 0.53 0.00 0.00 43.42 45.32 3dh4 n LEU 246 CO 0.43 2.13 2.11 -2.65 -1.11 0.00 0.00 177.39 178.30 3dh4 n PRO 247 N 0.81 2.21 0.00 1.96 -0.02 -0.17 -4.37 135.00 135.43 3dh4 n PRO 247 Ca 0.16 -2.46 0.00 0.00 -2.02 0.00 0.00 63.50 59.18 3dh4 n PRO 247 Cb 0.64 -3.30 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 3dh4 n PRO 247 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dh4 n GLY 248 N 4.86 4.03 0.04 -1.23 0.00 -1.24 -2.52 105.19 109.12 3dh4 n GLY 248 Ca 0.49 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.73 3dh4 n GLY 248 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dh4 n ILE 249 N 0.00 0.47 -0.34 -0.61 -5.35 -1.26 -2.36 119.36 109.90 3dh4 n ILE 249 Ca 0.00 0.02 0.24 0.00 -0.27 0.00 0.00 62.75 62.74 3dh4 n ILE 249 Cb 0.00 -0.72 0.50 0.00 -1.74 0.00 0.00 39.64 37.68 3dh4 n ILE 249 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dh4 h ALA 250 N 2.69 2.19 -0.67 -1.28 0.00 -1.87 0.56 119.26 120.88 3dh4 h ALA 250 Ca 0.00 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.11 3dh4 h ALA 250 Cb 0.48 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.21 3dh4 h ALA 250 CO 0.00 -0.66 -0.38 0.28 0.00 0.00 0.00 179.25 178.49 3dh4 h VAL 251 N 0.38 0.11 0.01 0.00 2.07 -1.68 0.28 116.25 117.42 3dh4 h VAL 251 Ca 0.65 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.17 3dh4 h VAL 251 Cb 1.61 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3dh4 h VAL 251 CO -0.38 0.00 -0.00 -0.07 0.02 0.00 0.00 177.57 177.14 3dh4 h LEU 252 N -0.15 -0.01 0.00 2.57 3.38 -0.72 -3.42 115.31 116.96 3dh4 h LEU 252 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3dh4 h LEU 252 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3dh4 h LEU 252 CO -0.74 0.16 -0.69 0.16 0.09 0.00 0.00 178.44 177.42 3dh4 h ILE 253 N -0.35 0.00 -0.68 1.22 3.07 -0.15 -3.45 117.51 117.17 3dh4 h ILE 253 Ca -0.00 -0.52 0.00 0.00 1.55 0.00 0.00 64.86 65.89 3dh4 h ILE 253 Cb 0.01 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 37.63 3dh4 h ILE 253 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 3dh4 n GLY 254 N 1.33 3.52 0.00 0.16 0.00 0.99 -4.95 105.19 106.24 3dh4 n GLY 254 Ca 0.03 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3dh4 n GLY 254 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dh4 n GLY 255 N 5.00 -0.18 0.08 -0.02 0.00 -1.22 -2.01 105.19 106.84 3dh4 n GLY 255 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3dh4 n GLY 255 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dh4 h LEU 256 N 0.00 0.12 -0.93 0.99 5.85 -1.82 -3.01 115.31 116.51 3dh4 h LEU 256 Ca 0.00 -0.13 0.26 0.00 0.84 0.00 0.00 57.88 58.85 3dh4 h LEU 256 Cb 0.12 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 40.98 3dh4 h LEU 256 CO 0.00 0.22 0.40 -0.50 -0.34 0.00 0.00 178.44 178.22 3dh4 h TRP 257 N 0.02 0.65 -0.19 1.25 4.06 -1.68 0.96 115.95 121.01 3dh4 h TRP 257 Ca 0.03 0.04 0.05 0.00 2.06 0.00 0.00 58.89 61.08 3dh4 h TRP 257 Cb 0.13 -0.14 -0.07 0.00 -1.00 0.00 0.00 29.16 28.09 3dh4 h TRP 257 CO -0.03 -0.14 -0.27 0.28 -3.56 0.00 0.00 178.44 174.72 3dh4 h VAL 258 N 0.32 0.35 -0.52 1.49 2.07 -1.74 0.64 116.25 118.85 3dh4 h VAL 258 Ca 0.62 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.24 3dh4 h VAL 258 Cb 1.28 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 3dh4 h VAL 258 CO -0.60 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.02 3dh4 h ALA 259 N 0.63 0.52 0.09 1.67 0.00 0.88 -2.25 119.26 120.80 3dh4 h ALA 259 Ca 0.12 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3dh4 h ALA 259 Cb 0.50 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3dh4 h ALA 259 CO -0.37 -0.37 -0.04 -0.91 0.00 0.00 0.00 179.25 177.56 3dh4 h ASN 260 N 0.15 -0.11 -0.77 0.00 -0.26 -0.26 -2.64 115.58 111.69 3dh4 h ASN 260 Ca 0.26 -0.15 0.08 0.00 -0.56 0.00 0.00 56.30 55.94 3dh4 h ASN 260 Cb 0.39 0.03 -0.11 0.00 -1.06 0.00 0.00 38.32 37.57 3dh4 h ASN 260 CO -0.41 0.44 -0.55 -0.07 -1.06 0.00 0.00 177.43 175.78 3dh4 h LEU 261 N -1.02 -1.97 -0.56 1.61 4.07 0.21 0.46 115.31 118.11 3dh4 h LEU 261 Ca -0.01 0.29 0.10 0.00 0.08 0.00 0.00 57.88 58.34 3dh4 h LEU 261 Cb 0.25 0.86 -0.07 0.00 1.08 0.00 0.00 40.66 42.77 3dh4 h LEU 261 CO 0.02 -0.30 0.15 0.22 -1.08 0.00 0.00 178.44 177.45 3dh4 h TYR 262 N -0.15 0.25 0.57 1.13 3.20 -1.54 0.11 116.97 120.54 3dh4 h TYR 262 Ca 0.14 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3dh4 h TYR 262 Cb 0.50 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.74 3dh4 h TYR 262 CO -0.89 0.02 -0.27 -0.92 -1.64 0.00 0.00 178.16 174.45 3dh4 h TYR 263 N 0.30 -0.71 0.00 -3.82 5.03 -0.56 -2.01 116.97 115.20 3dh4 h TYR 263 Ca 0.29 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.58 3dh4 h TYR 263 Cb 0.39 0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.90 3dh4 h TYR 263 CO -0.21 -0.38 0.00 0.91 -1.32 0.00 0.00 178.16 177.16 3dh4 n TRP 264 N -5.34 0.00 -0.37 -3.82 7.02 0.14 -2.16 117.44 112.91 3dh4 n TRP 264 Ca -0.12 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.40 3dh4 n TRP 264 Cb 0.34 -0.44 0.10 0.00 -2.42 0.00 0.00 31.31 28.90 3dh4 n TRP 264 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3dh4 n GLY 265 N 2.01 -1.81 0.00 6.99 0.00 0.35 -3.44 105.19 109.28 3dh4 n GLY 265 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 46.02 47.11 3dh4 n GLY 265 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dh4 n PHE 266 N -5.57 0.00 -0.22 1.61 3.01 -1.20 -4.79 117.46 110.30 3dh4 n PHE 266 Ca 0.14 0.00 0.21 0.00 1.01 0.00 0.00 57.45 58.80 3dh4 n PHE 266 Cb 0.46 0.00 0.36 0.00 -0.01 0.00 0.00 39.48 40.30 3dh4 n PHE 266 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3dh4 n ASN 267 N -0.26 0.17 -4.37 4.37 5.15 -0.75 -4.13 115.26 115.44 3dh4 n ASN 267 Ca 0.00 0.91 -0.11 0.00 -0.60 0.00 0.00 54.58 54.78 3dh4 n ASN 267 Cb 0.00 -0.45 -0.10 0.00 -0.53 0.00 0.00 39.78 38.70 3dh4 n ASN 267 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dh4 n GLN 268 N -4.14 0.13 -0.19 1.20 1.13 -0.92 -4.62 117.38 109.96 3dh4 n GLN 268 Ca 0.23 -0.56 -0.05 0.00 -1.94 0.00 0.00 57.00 54.68 3dh4 n GLN 268 Cb 0.82 -2.19 0.13 0.00 0.11 0.00 0.00 30.24 29.10 3dh4 n GLN 268 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 3dh4 h TYR 269 N 10.83 1.01 0.00 1.08 -1.99 -1.92 -2.83 116.97 123.15 3dh4 h TYR 269 Ca 0.01 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 3dh4 h TYR 269 Cb 1.03 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 39.47 3dh4 h TYR 269 CO 1.33 0.83 -0.06 0.82 -0.00 0.00 0.00 178.16 181.09 3dh4 h ILE 270 N 0.93 0.18 0.43 -2.88 2.04 -1.93 1.17 117.51 117.44 3dh4 h ILE 270 Ca 0.20 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3dh4 h ILE 270 Cb 0.33 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3dh4 h ILE 270 CO 0.00 0.06 -0.21 -0.29 0.00 0.00 0.00 178.15 177.71 3dh4 h ILE 271 N 0.00 0.48 0.55 -0.67 2.10 -1.88 -3.04 117.51 115.06 3dh4 h ILE 271 Ca -0.00 -0.47 -0.03 0.00 1.08 0.00 0.00 64.86 65.44 3dh4 h ILE 271 Cb 0.46 0.67 0.01 0.00 -1.09 0.00 0.00 36.82 36.87 3dh4 h ILE 271 CO 0.01 0.07 -0.26 -0.61 -1.08 0.00 0.00 178.15 176.28 3dh4 h GLN 272 N -0.89 -0.71 -0.91 2.19 5.75 -0.46 1.36 115.11 121.43 3dh4 h GLN 272 Ca -0.06 0.05 0.12 0.00 -0.15 0.00 0.00 58.65 58.61 3dh4 h GLN 272 Cb 0.56 0.16 -0.07 0.00 1.07 0.00 0.00 27.48 29.20 3dh4 h GLN 272 CO 0.10 -0.42 0.59 0.00 -2.65 0.00 0.00 178.83 176.45 3dh4 h ARG 273 N -0.88 0.81 0.00 1.69 -0.00 0.10 -1.15 114.38 114.95 3dh4 h ARG 273 Ca -0.08 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.98 59.27 3dh4 h ARG 273 Cb 0.62 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 30.39 3dh4 h ARG 273 CO 0.12 0.54 -0.73 1.15 0.00 0.00 0.00 179.97 181.05 3dh4 h THR 274 N 0.83 0.52 -0.01 2.04 2.02 -1.30 -3.29 112.91 113.72 3dh4 h THR 274 Ca 0.45 -1.81 -0.15 0.00 0.77 0.00 0.00 66.41 65.67 3dh4 h THR 274 Cb 0.55 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 3dh4 h THR 274 CO -0.21 0.30 -0.67 -0.07 0.37 0.00 0.00 175.52 175.24 3dh4 h LEU 275 N 0.00 0.07 -3.63 2.58 3.38 0.28 -3.28 115.31 114.72 3dh4 h LEU 275 Ca -0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3dh4 h LEU 275 Cb 1.33 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 3dh4 h LEU 275 CO 0.04 0.72 0.01 0.00 0.09 0.00 0.00 178.44 179.30 3dh4 n ALA 276 N -2.43 2.87 -1.07 1.53 0.00 -0.53 -4.05 120.51 116.82 3dh4 n ALA 276 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3dh4 n ALA 276 Cb 0.66 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3dh4 n ALA 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dh4 n ALA 277 N 1.88 0.37 -2.54 0.00 0.00 -1.24 -4.89 120.51 114.09 3dh4 n ALA 277 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.22 3dh4 n ALA 277 Cb 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.62 3dh4 n ALA 277 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3dh4 s LYS 278 N 0.00 1.82 0.00 0.00 2.20 -1.26 -4.54 119.74 117.96 3dh4 s LYS 278 Ca 0.00 -2.02 0.00 0.00 -0.36 0.00 0.00 55.97 53.59 3dh4 s LYS 278 Cb 0.00 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.05 3dh4 s LYS 278 CO 0.00 -0.12 0.00 0.43 -0.36 0.00 0.00 175.35 175.30 3dh4 n SER 279 N -0.84 0.00 -0.33 1.43 7.64 -1.26 -4.16 113.62 116.09 3dh4 n SER 279 Ca -0.04 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.95 3dh4 n SER 279 Cb 0.67 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 64.16 3dh4 n SER 279 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3dh4 h VAL 280 N 0.00 0.71 -0.98 0.44 2.07 -1.97 1.03 116.25 117.54 3dh4 h VAL 280 Ca 0.00 -0.24 0.12 0.00 0.82 0.00 0.00 66.70 67.40 3dh4 h VAL 280 Cb 0.00 -0.07 -0.14 0.00 -1.52 0.00 0.00 31.29 29.56 3dh4 h VAL 280 CO 0.00 0.13 -0.48 -0.24 0.02 0.00 0.00 177.57 177.00 3dh4 n SER 281 N -4.81 -0.83 0.05 0.57 2.88 -1.26 -1.33 113.62 108.90 3dh4 n SER 281 Ca 0.21 1.73 -0.11 0.00 -1.33 0.00 0.00 58.87 59.37 3dh4 n SER 281 Cb 0.53 -0.31 -0.00 0.00 -0.75 0.00 0.00 64.21 63.67 3dh4 n SER 281 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3dh4 h GLU 282 N 0.00 0.41 -0.80 -1.46 4.81 0.38 -3.11 114.58 114.82 3dh4 h GLU 282 Ca 0.25 -0.37 0.20 0.00 -0.13 0.00 0.00 59.36 59.31 3dh4 h GLU 282 Cb 0.50 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 3dh4 h GLU 282 CO -0.95 1.02 0.55 0.00 -0.73 0.00 0.00 179.01 178.90 3dh4 h ALA 283 N 0.86 2.39 -0.46 2.92 0.00 0.13 0.60 119.26 125.72 3dh4 h ALA 283 Ca -0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3dh4 h ALA 283 Cb 1.40 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3dh4 h ALA 283 CO 0.14 -0.63 0.13 1.96 0.00 0.00 0.00 179.25 180.85 3dh4 h GLN 284 N 0.24 0.72 -0.52 0.00 4.20 -1.13 -2.91 115.11 115.71 3dh4 h GLN 284 Ca 0.40 -0.16 0.08 0.00 0.06 0.00 0.00 58.65 59.02 3dh4 h GLN 284 Cb 1.20 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.85 3dh4 h GLN 284 CO -0.09 0.70 0.35 0.87 -0.67 0.00 0.00 178.83 179.99 3dh4 h LYS 285 N 0.60 0.36 -0.18 1.46 1.57 -0.95 -0.13 116.57 119.30 3dh4 h LYS 285 Ca 0.15 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 3dh4 h LYS 285 Cb 0.29 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3dh4 h LYS 285 CO -0.00 0.24 -0.43 0.78 -0.57 0.00 0.00 179.45 179.47 3dh4 h GLY 286 N 0.37 0.47 1.04 3.86 0.00 -1.37 -0.48 103.07 106.97 3dh4 h GLY 286 Ca 0.23 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 3dh4 h GLY 286 CO -0.06 0.43 0.01 -2.22 0.00 0.00 0.00 176.54 174.69 3dh4 h ILE 287 N 0.36 1.26 0.01 2.60 2.04 -0.90 0.15 117.51 123.03 3dh4 h ILE 287 Ca 0.03 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 3dh4 h ILE 287 Cb 0.90 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3dh4 h ILE 287 CO 0.08 0.39 -0.00 0.58 0.00 0.00 0.00 178.15 179.20 3dh4 h VAL 288 N 0.83 1.13 -0.56 1.67 2.07 -1.00 0.22 116.25 120.62 3dh4 h VAL 288 Ca 0.15 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3dh4 h VAL 288 Cb 0.53 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 3dh4 h VAL 288 CO 0.03 0.11 0.30 0.15 0.02 0.00 0.00 177.57 178.17 3dh4 h PHE 289 N -0.19 0.55 -0.24 1.57 3.57 -1.05 0.29 116.94 121.45 3dh4 h PHE 289 Ca -0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3dh4 h PHE 289 Cb 0.18 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3dh4 h PHE 289 CO -0.02 0.27 0.06 0.00 -2.23 0.00 0.00 178.31 176.39 3dh4 h ALA 290 N 1.30 0.25 -0.87 2.41 0.00 -0.60 -1.54 119.26 120.20 3dh4 h ALA 290 Ca 0.25 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.30 3dh4 h ALA 290 Cb 0.14 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 3dh4 h ALA 290 CO -0.16 -0.36 0.51 0.00 0.00 0.00 0.00 179.25 179.23 3dh4 h ALA 291 N 1.17 1.26 -0.90 0.00 0.00 0.28 -1.11 119.26 119.95 3dh4 h ALA 291 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3dh4 h ALA 291 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3dh4 h ALA 291 CO -0.13 0.13 0.53 0.35 0.00 0.00 0.00 179.25 180.12 3dh4 h PHE 292 N 0.84 1.20 -0.84 0.00 3.57 0.02 -2.93 116.94 118.79 3dh4 h PHE 292 Ca 0.42 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.88 3dh4 h PHE 292 Cb 0.39 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3dh4 h PHE 292 CO -0.05 0.81 0.38 -0.07 -2.23 0.00 0.00 178.31 177.15 3dh4 h LEU 293 N 1.24 1.12 -2.05 0.59 3.38 -0.21 -2.42 115.31 116.96 3dh4 h LEU 293 Ca 0.32 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.25 3dh4 h LEU 293 Cb -0.03 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3dh4 h LEU 293 CO -0.06 0.95 0.37 0.11 0.09 0.00 0.00 178.44 179.90 3dh4 h LYS 294 N 1.20 0.00 -0.78 1.13 1.79 -1.25 0.41 116.57 119.07 3dh4 h LYS 294 Ca 0.29 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.74 3dh4 h LYS 294 Cb 0.15 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 3dh4 h LYS 294 CO -0.03 0.00 0.41 -0.07 -1.08 0.00 0.00 179.45 178.68 3dh4 h LEU 295 N 0.00 0.98 0.00 2.94 3.38 -1.49 -3.18 115.31 117.94 3dh4 h LEU 295 Ca 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dh4 h LEU 295 Cb 0.91 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3dh4 h LEU 295 CO -0.00 0.80 -0.49 0.40 0.09 0.00 0.00 178.44 179.24 3dh4 h ILE 296 N 1.10 0.00 -0.30 1.22 1.08 -0.31 -3.38 117.51 116.92 3dh4 h ILE 296 Ca 0.28 -0.68 0.05 0.00 -0.39 0.00 0.00 64.86 64.12 3dh4 h ILE 296 Cb 0.05 1.39 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 3dh4 h ILE 296 CO -0.04 0.00 0.00 0.58 -0.69 0.00 0.00 178.15 178.00 3dh4 h VAL 297 N 0.00 0.79 -0.84 1.67 2.07 -1.43 -2.82 116.25 115.69 3dh4 h VAL 297 Ca 0.00 -0.03 0.24 0.00 0.82 0.00 0.00 66.70 67.73 3dh4 h VAL 297 Cb 0.84 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3dh4 h VAL 297 CO 0.00 0.02 0.60 -0.65 0.02 0.00 0.00 177.57 177.56 3dh4 h PRO 298 N 0.09 0.02 0.00 1.57 0.11 -1.77 0.19 132.00 132.22 3dh4 h PRO 298 Ca 0.14 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3dh4 h PRO 298 Cb 0.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3dh4 h PRO 298 CO -0.24 0.01 0.00 1.19 -0.21 0.00 0.00 178.00 178.76 3dh4 n PHE 299 N -4.30 0.05 -0.01 0.65 3.01 -1.06 -0.98 117.46 114.82 3dh4 n PHE 299 Ca 0.17 0.02 0.04 0.00 1.01 0.00 0.00 57.45 58.69 3dh4 n PHE 299 Cb 0.90 -0.53 -0.08 0.00 -0.01 0.00 0.00 39.48 39.76 3dh4 n PHE 299 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3dh4 n LEU 300 N -1.54 0.00 0.00 4.37 4.77 0.63 -4.63 117.00 120.60 3dh4 n LEU 300 Ca 0.05 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.00 3dh4 n LEU 300 Cb 0.27 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3dh4 n LEU 300 CO 0.21 0.03 -0.26 1.33 -1.33 0.00 0.00 177.39 177.37 3dh4 n VAL 301 N -1.92 1.25 0.12 4.08 0.24 -0.87 -4.70 118.33 116.53 3dh4 n VAL 301 Ca -0.04 0.29 -0.00 0.00 -2.04 0.00 0.00 64.34 62.55 3dh4 n VAL 301 Cb 0.34 -1.81 -0.00 0.00 -1.47 0.00 0.00 33.84 30.90 3dh4 n VAL 301 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 3dh4 h VAL 302 N -0.31 1.15 -0.02 3.34 -1.51 -1.46 -3.28 116.25 114.17 3dh4 h VAL 302 Ca -0.02 -2.57 -0.22 0.00 -1.23 0.00 0.00 66.70 62.66 3dh4 h VAL 302 Cb 0.38 2.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 3dh4 h VAL 302 CO -0.01 0.64 -0.91 0.25 -1.23 0.00 0.00 177.57 176.31 3dh4 h LEU 303 N 0.00 0.59 -0.97 4.19 5.85 -1.32 -2.81 115.31 120.84 3dh4 h LEU 303 Ca -0.01 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.33 3dh4 h LEU 303 Cb 1.48 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.26 3dh4 h LEU 303 CO 0.09 1.25 0.62 -0.65 -0.34 0.00 0.00 178.44 179.40 3dh4 h PRO 304 N 0.27 1.08 -0.84 5.25 0.11 -1.83 -2.33 132.00 133.72 3dh4 h PRO 304 Ca -0.08 -0.06 0.10 0.00 0.11 0.00 0.00 66.00 66.07 3dh4 h PRO 304 Cb 1.54 -0.24 -0.08 0.00 0.11 0.00 0.00 31.00 32.33 3dh4 h PRO 304 CO 0.16 0.71 0.47 0.78 -0.21 0.00 0.00 178.00 179.92 3dh4 h GLY 305 N 1.11 1.32 1.18 -0.55 0.00 -1.59 0.32 103.07 104.85 3dh4 h GLY 305 Ca 0.42 -0.31 -0.18 0.00 0.00 0.00 0.00 47.33 47.27 3dh4 h GLY 305 CO -0.18 0.10 -0.50 -2.22 0.00 0.00 0.00 176.54 173.74 3dh4 h ILE 306 N 0.77 1.28 -0.26 2.60 2.04 -1.33 -1.99 117.51 120.60 3dh4 h ILE 306 Ca 0.41 -1.68 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 3dh4 h ILE 306 Cb 0.42 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3dh4 h ILE 306 CO -0.27 0.55 0.12 0.00 0.00 0.00 0.00 178.15 178.55 3dh4 h ALA 307 N 0.74 0.34 -0.24 1.87 0.00 -0.84 -2.23 119.26 118.90 3dh4 h ALA 307 Ca 0.03 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3dh4 h ALA 307 Cb 1.10 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3dh4 h ALA 307 CO 0.11 -0.08 0.08 0.00 0.00 0.00 0.00 179.25 179.36 3dh4 h ALA 308 N 0.97 0.26 0.09 0.00 0.00 -0.37 -2.22 119.26 118.00 3dh4 h ALA 308 Ca 0.09 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3dh4 h ALA 308 Cb 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3dh4 h ALA 308 CO -0.01 -0.34 -0.36 -0.92 0.00 0.00 0.00 179.25 177.62 3dh4 h TYR 309 N 0.19 -1.00 -0.48 0.00 3.20 -1.28 -1.27 116.97 116.33 3dh4 h TYR 309 Ca 0.10 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.10 3dh4 h TYR 309 Cb 0.07 0.43 -0.09 0.00 1.54 0.00 0.00 36.73 38.68 3dh4 h TYR 309 CO -0.13 -0.46 -0.08 0.28 -1.64 0.00 0.00 178.16 176.13 3dh4 h VAL 310 N -0.57 0.55 -0.00 1.81 2.07 -1.11 0.61 116.25 119.60 3dh4 h VAL 310 Ca 0.04 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.55 3dh4 h VAL 310 Cb 0.62 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3dh4 h VAL 310 CO -0.23 0.01 -0.05 0.40 0.02 0.00 0.00 177.57 177.71 3dh4 h ILE 311 N 0.03 0.86 -0.09 4.57 2.04 -1.28 -1.26 117.51 122.39 3dh4 h ILE 311 Ca 0.23 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.10 3dh4 h ILE 311 Cb 0.36 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3dh4 h ILE 311 CO -0.46 0.00 0.04 0.74 0.00 0.00 0.00 178.15 178.47 3dh4 h THR 312 N -0.09 1.00 0.00 -0.27 2.02 0.04 -2.48 112.91 113.12 3dh4 h THR 312 Ca 0.02 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3dh4 h THR 312 Cb 0.12 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3dh4 h THR 312 CO -0.06 0.02 0.00 -1.54 0.37 0.00 0.00 175.52 174.31 3dh4 n SER 313 N -5.05 0.00 -4.66 4.18 3.41 0.07 -4.64 113.62 106.93 3dh4 n SER 313 Ca -0.05 0.01 -0.38 0.00 -0.26 0.00 0.00 58.87 58.19 3dh4 n SER 313 Cb 0.04 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 63.57 3dh4 n SER 313 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dh4 s ASP 314 N -2.66 6.31 0.10 4.04 -1.08 -0.48 -5.00 116.67 117.89 3dh4 s ASP 314 Ca 0.24 0.36 0.05 0.00 -0.52 0.00 0.00 52.55 52.68 3dh4 s ASP 314 Cb 0.19 -2.19 -0.23 0.00 -1.46 0.00 0.00 42.92 39.24 3dh4 s ASP 314 CO 0.46 -0.04 1.20 1.55 0.52 0.00 0.00 175.17 178.86 3dh4 h PRO 315 N 7.48 0.07 -0.24 4.34 0.13 -1.82 -2.94 132.00 139.02 3dh4 h PRO 315 Ca -0.36 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3dh4 h PRO 315 Cb 1.16 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3dh4 h PRO 315 CO 0.69 1.02 0.10 1.96 -0.23 0.00 0.00 178.00 181.55 3dh4 h GLN 316 N 0.02 0.35 -0.18 0.86 7.50 -1.94 -1.38 115.11 120.33 3dh4 h GLN 316 Ca -0.06 -0.06 -0.15 0.00 0.50 0.00 0.00 58.65 58.88 3dh4 h GLN 316 Cb 1.84 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 29.30 3dh4 h GLN 316 CO 0.14 0.38 -0.52 -0.07 -1.50 0.00 0.00 178.83 177.27 3dh4 h LEU 317 N 0.24 0.57 0.07 1.46 3.38 -1.87 -2.26 115.31 116.90 3dh4 h LEU 317 Ca 0.08 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3dh4 h LEU 317 Cb 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3dh4 h LEU 317 CO -0.01 0.99 -0.03 -0.03 0.09 0.00 0.00 178.44 179.45 3dh4 h MET 318 N 0.41 -0.09 0.00 1.13 4.05 -1.32 -1.36 114.93 117.75 3dh4 h MET 318 Ca 0.01 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 3dh4 h MET 318 Cb 1.05 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.86 3dh4 h MET 318 CO 0.10 0.36 -0.17 0.00 0.23 0.00 0.00 176.91 177.43 3dh4 h ALA 319 N 0.31 1.34 -0.34 0.39 0.00 -1.35 -2.77 119.26 116.85 3dh4 h ALA 319 Ca -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3dh4 h ALA 319 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3dh4 h ALA 319 CO 0.01 0.21 0.06 1.03 0.00 0.00 0.00 179.25 180.56 3dh4 h SER 320 N 0.00 0.54 -0.30 0.00 0.87 -1.05 -2.97 113.55 110.64 3dh4 h SER 320 Ca -0.00 -0.26 0.07 0.00 -1.23 0.00 0.00 61.79 60.37 3dh4 h SER 320 Cb 0.40 -0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 62.14 3dh4 h SER 320 CO 0.02 0.66 -0.27 -0.07 -0.53 0.00 0.00 176.83 176.64 3dh4 h LEU 321 N 0.40 -0.86 0.00 2.23 3.38 -0.96 -3.48 115.31 116.00 3dh4 h LEU 321 Ca 0.10 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3dh4 h LEU 321 Cb 0.35 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3dh4 h LEU 321 CO 0.01 -0.29 0.00 0.61 0.09 0.00 0.00 178.44 178.86 3dh4 n GLY 322 N -1.39 0.71 0.18 0.83 0.00 -1.12 -4.77 105.19 99.62 3dh4 n GLY 322 Ca 0.00 -2.12 0.06 0.00 0.00 0.00 0.00 46.02 43.95 3dh4 n GLY 322 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dh4 h ASP 323 N 0.00 0.00 -0.29 1.61 3.32 -1.90 -3.25 116.42 115.92 3dh4 h ASP 323 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dh4 h ASP 323 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3dh4 h ASP 323 CO 0.00 0.38 0.00 -0.38 -1.72 0.00 0.00 179.24 177.52 3dh4 n ILE 324 N -3.40 0.99 -0.64 0.35 5.41 -1.26 -4.19 119.36 116.63 3dh4 n ILE 324 Ca 0.01 -0.57 -0.18 0.00 1.00 0.00 0.00 62.75 63.00 3dh4 n ILE 324 Cb 0.57 -0.20 -0.02 0.00 -0.71 0.00 0.00 39.64 39.28 3dh4 n ILE 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dh4 n ALA 325 N 0.35 4.21 -2.27 -1.39 0.00 -1.23 -4.81 120.51 115.38 3dh4 n ALA 325 Ca 0.12 -1.69 -0.43 0.00 0.00 0.00 0.00 53.44 51.45 3dh4 n ALA 325 Cb 0.55 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.11 3dh4 n ALA 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dh4 n ALA 326 N 4.21 4.65 -0.45 0.00 0.00 -1.26 -4.86 120.51 122.80 3dh4 n ALA 326 Ca 0.38 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.83 3dh4 n ALA 326 Cb 0.13 -3.40 0.00 0.00 0.00 0.00 0.00 19.45 16.18 3dh4 n ALA 326 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3dh4 n THR 327 N 5.15 0.00 -2.51 0.00 -1.04 -1.26 -4.82 114.28 109.80 3dh4 n THR 327 Ca 0.47 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.35 3dh4 n THR 327 Cb 0.41 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.92 3dh4 n THR 327 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3dh4 n ASN 328 N -3.55 -3.83 -4.70 8.00 3.02 -1.26 -4.93 115.26 108.01 3dh4 n ASN 328 Ca 0.00 0.16 -0.41 0.00 -0.03 0.00 0.00 54.58 54.30 3dh4 n ASN 328 Cb 0.00 -3.25 -0.04 0.00 -0.61 0.00 0.00 39.78 35.88 3dh4 n ASN 328 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dh4 s LEU 329 N -5.67 4.28 0.64 3.41 1.02 -1.26 -4.67 118.68 116.44 3dh4 s LEU 329 Ca 0.03 1.30 -0.15 0.00 0.02 0.00 0.00 54.13 55.33 3dh4 s LEU 329 Cb -0.02 -3.26 -0.01 0.00 0.02 0.00 0.00 46.19 42.93 3dh4 s LEU 329 CO 0.04 -0.25 1.09 -2.16 0.02 0.00 0.00 176.35 175.10 3dh4 s PRO 330 N 1.30 2.94 0.32 1.29 0.04 -1.26 -4.86 135.00 134.77 3dh4 s PRO 330 Ca 0.41 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.59 3dh4 s PRO 330 Cb -0.18 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.44 3dh4 s PRO 330 CO 0.19 -1.13 0.86 -1.54 0.04 0.00 0.00 177.00 175.41 3dh4 s SER 331 N -2.69 -0.01 0.34 6.66 1.04 -1.17 -4.95 113.70 112.90 3dh4 s SER 331 Ca 0.66 -0.97 0.09 0.00 0.48 0.00 0.00 55.95 56.20 3dh4 s SER 331 Cb -0.19 0.74 0.81 0.00 0.10 0.00 0.00 66.02 67.48 3dh4 s SER 331 CO 0.41 -1.47 1.82 0.00 0.98 0.00 0.00 173.24 174.98 3dh4 h ALA 332 N 2.00 1.81 -2.47 5.32 0.00 -1.97 -1.13 119.26 122.82 3dh4 h ALA 332 Ca -0.30 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3dh4 h ALA 332 Cb 1.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3dh4 h ALA 332 CO 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3dh4 n ALA 333 N -2.40 -0.07 -3.76 0.00 0.00 -1.26 -4.38 120.51 108.63 3dh4 n ALA 333 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.31 3dh4 n ALA 333 Cb 0.55 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.96 3dh4 n ALA 333 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3dh4 s ASN 334 N -2.17 5.32 0.38 0.00 0.02 -1.19 -3.95 114.94 113.35 3dh4 s ASN 334 Ca 0.00 -3.49 0.16 0.00 -1.02 0.00 0.00 52.86 48.50 3dh4 s ASN 334 Cb 0.00 -1.79 0.77 0.00 0.02 0.00 0.00 41.25 40.25 3dh4 s ASN 334 CO 0.00 -0.20 1.82 0.00 0.02 0.00 0.00 177.10 178.74 3dh4 h ALA 335 N 6.12 1.26 -0.24 0.60 0.00 -1.08 -3.09 119.26 122.83 3dh4 h ALA 335 Ca 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3dh4 h ALA 335 Cb 0.84 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3dh4 h ALA 335 CO 0.77 0.46 0.12 -0.44 0.00 0.00 0.00 179.25 180.15 3dh4 h ASP 336 N 0.00 0.28 0.00 0.00 3.32 -1.72 -1.42 116.42 116.88 3dh4 h ASP 336 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3dh4 h ASP 336 Cb 0.71 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3dh4 h ASP 336 CO 0.05 0.24 0.26 0.29 -1.72 0.00 0.00 179.24 178.36 3dh4 n LYS 337 N -4.46 0.08 0.00 3.56 5.02 -1.18 -3.83 118.16 117.34 3dh4 n LYS 337 Ca 0.00 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 3dh4 n LYS 337 Cb 0.10 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 3dh4 n LYS 337 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dh4 n ALA 338 N -1.54 -0.03 -0.19 7.82 0.00 -0.54 -1.60 120.51 124.43 3dh4 n ALA 338 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 3dh4 n ALA 338 Cb 0.28 0.32 0.05 0.00 0.00 0.00 0.00 19.45 20.10 3dh4 n ALA 338 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3dh4 h TYR 339 N 0.00 0.65 0.00 0.00 3.20 -1.85 -1.74 116.97 117.23 3dh4 h TYR 339 Ca 0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 3dh4 h TYR 339 Cb 0.00 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 3dh4 h TYR 339 CO -0.35 0.38 -0.22 -1.00 -1.64 0.00 0.00 178.16 175.33 3dh4 h PRO 340 N 0.69 0.00 -0.03 1.82 0.13 -1.80 -1.33 132.00 131.48 3dh4 h PRO 340 Ca 0.23 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.26 3dh4 h PRO 340 Cb 0.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 3dh4 h PRO 340 CO -0.09 0.22 -0.45 2.35 -0.23 0.00 0.00 178.00 179.80 3dh4 h TRP 341 N 0.00 0.09 -0.33 1.56 7.01 -0.41 -2.16 115.95 121.70 3dh4 h TRP 341 Ca -0.00 -0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.84 3dh4 h TRP 341 Cb 0.43 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.46 3dh4 h TRP 341 CO 0.00 0.51 -0.34 -0.07 -2.79 0.00 0.00 178.44 175.75 3dh4 h LEU 342 N 0.06 0.77 -1.17 0.65 3.38 -0.77 -2.98 115.31 115.25 3dh4 h LEU 342 Ca 0.00 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 3dh4 h LEU 342 Cb 0.82 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3dh4 h LEU 342 CO 0.06 1.04 -0.32 0.71 0.09 0.00 0.00 178.44 180.02 3dh4 h THR 343 N 0.62 0.88 -0.23 0.22 1.35 -1.23 -1.85 112.91 112.67 3dh4 h THR 343 Ca 0.06 -1.29 0.07 0.00 -0.55 0.00 0.00 66.41 64.70 3dh4 h THR 343 Cb 0.87 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 3dh4 h THR 343 CO 0.08 0.32 0.40 -0.61 -0.25 0.00 0.00 175.52 175.46 3dh4 h GLN 344 N 0.00 0.00 -0.28 4.72 4.15 -1.23 -2.05 115.11 120.42 3dh4 h GLN 344 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3dh4 h GLN 344 Cb 0.75 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.44 3dh4 h GLN 344 CO 0.04 0.00 0.00 0.34 -1.93 0.00 0.00 178.83 177.28 3dh4 n PHE 345 N -3.34 0.38 -1.03 3.99 7.35 -0.70 -5.03 117.46 119.07 3dh4 n PHE 345 Ca 0.03 -0.41 -0.30 0.00 -0.76 0.00 0.00 57.45 56.02 3dh4 n PHE 345 Cb 0.52 -0.02 0.23 0.00 0.35 0.00 0.00 39.48 40.56 3dh4 n PHE 345 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3dh4 s LEU 346 N -0.99 0.79 0.00 -2.13 2.96 -0.77 -5.07 118.68 113.47 3dh4 s LEU 346 Ca 0.21 0.82 0.00 0.00 -0.22 0.00 0.00 54.13 54.94 3dh4 s LEU 346 Cb 0.12 -2.64 0.00 0.00 0.50 0.00 0.00 46.19 44.16 3dh4 s LEU 346 CO 0.15 -3.98 0.00 -2.65 -1.32 0.00 0.00 176.35 168.56 3dh4 n PRO 347 N -4.69 0.29 0.00 0.98 -0.02 -1.26 -4.87 135.00 125.42 3dh4 n PRO 347 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3dh4 n PRO 347 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 3dh4 n PRO 347 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3dh4 n VAL 348 N -1.67 0.00 0.43 -1.45 0.24 -1.26 -2.44 118.33 112.19 3dh4 n VAL 348 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 3dh4 n VAL 348 Cb 0.00 -0.11 0.08 0.00 -1.47 0.00 0.00 33.84 32.34 3dh4 n VAL 348 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dh4 n GLY 349 N 0.00 -1.36 0.34 7.63 0.00 -1.26 -3.96 105.19 106.58 3dh4 n GLY 349 Ca 0.00 -0.29 0.20 0.00 0.00 0.00 0.00 46.02 45.93 3dh4 n GLY 349 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dh4 h VAL 350 N 0.00 0.45 -0.00 1.61 2.07 -1.93 0.63 116.25 119.07 3dh4 h VAL 350 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3dh4 h VAL 350 Cb 0.81 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3dh4 h VAL 350 CO 0.00 0.09 -0.02 0.11 0.02 0.00 0.00 177.57 177.77 3dh4 h LYS 351 N 0.48 -0.02 -0.27 1.57 1.57 -1.60 0.38 116.57 118.68 3dh4 h LYS 351 Ca 0.68 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.54 3dh4 h LYS 351 Cb 1.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 3dh4 h LYS 351 CO -0.52 -0.01 0.21 0.78 -0.57 0.00 0.00 179.45 179.34 3dh4 h GLY 352 N -0.02 0.00 0.27 3.86 0.00 -1.28 1.62 103.07 107.52 3dh4 h GLY 352 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3dh4 h GLY 352 CO -0.01 0.00 -0.09 -2.08 0.00 0.00 0.00 176.54 174.35 3dh4 h VAL 353 N 0.00 0.45 -0.83 4.60 2.07 -0.80 0.28 116.25 122.02 3dh4 h VAL 353 Ca 0.13 -1.01 0.10 0.00 0.82 0.00 0.00 66.70 66.73 3dh4 h VAL 353 Cb 0.55 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 3dh4 h VAL 353 CO -0.00 0.13 0.47 0.58 0.02 0.00 0.00 177.57 178.77 3dh4 h VAL 354 N -1.00 0.90 0.37 2.57 2.07 0.54 0.37 116.25 122.08 3dh4 h VAL 354 Ca -0.03 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3dh4 h VAL 354 Cb 0.41 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3dh4 h VAL 354 CO 0.04 0.14 -0.18 0.15 0.02 0.00 0.00 177.57 177.75 3dh4 h PHE 355 N 0.79 -0.46 -0.29 1.57 3.57 0.23 -1.95 116.94 120.39 3dh4 h PHE 355 Ca 0.40 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3dh4 h PHE 355 Cb 0.38 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3dh4 h PHE 355 CO -0.06 -0.20 0.19 0.00 -2.23 0.00 0.00 178.31 176.00 3dh4 h ALA 356 N -0.08 1.79 -0.32 2.41 0.00 -0.07 0.32 119.26 123.31 3dh4 h ALA 356 Ca -0.05 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3dh4 h ALA 356 Cb 0.47 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3dh4 h ALA 356 CO 0.08 0.19 0.15 0.00 0.00 0.00 0.00 179.25 179.67 3dh4 h ALA 357 N 1.82 0.38 -0.28 0.00 0.00 -0.12 -1.99 119.26 119.06 3dh4 h ALA 357 Ca 0.11 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3dh4 h ALA 357 Cb -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3dh4 h ALA 357 CO -0.02 -0.24 -0.01 -0.07 0.00 0.00 0.00 179.25 178.90 3dh4 h LEU 358 N 0.31 0.51 -0.69 0.00 3.38 -0.40 -2.44 115.31 115.97 3dh4 h LEU 358 Ca 0.13 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.85 3dh4 h LEU 358 Cb 0.06 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.58 3dh4 h LEU 358 CO -0.10 0.71 -0.53 0.00 0.09 0.00 0.00 178.44 178.60 3dh4 h ALA 359 N 0.82 -0.60 -0.37 1.53 0.00 -0.15 -1.08 119.26 119.41 3dh4 h ALA 359 Ca 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3dh4 h ALA 359 Cb 0.45 1.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 3dh4 h ALA 359 CO 0.02 -0.93 0.21 0.00 0.00 0.00 0.00 179.25 178.55 3dh4 h ALA 360 N 0.15 0.47 0.00 0.00 0.00 -1.41 -2.75 119.26 115.72 3dh4 h ALA 360 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dh4 h ALA 360 Cb 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3dh4 h ALA 360 CO -0.73 -0.02 0.10 0.00 0.00 0.00 0.00 179.25 178.60 3dh4 n ALA 361 N -2.23 0.89 -0.11 0.00 0.00 -0.49 -1.31 120.51 117.26 3dh4 n ALA 361 Ca -0.00 0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.41 3dh4 n ALA 361 Cb 0.07 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 3dh4 n ALA 361 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3dh4 n ILE 362 N -2.07 1.51 -0.01 0.00 -0.00 -0.71 -3.76 119.36 114.31 3dh4 n ILE 362 Ca -0.01 -0.06 0.22 0.00 -0.00 0.00 0.00 62.75 62.90 3dh4 n ILE 362 Cb 0.12 -2.17 0.71 0.00 -0.00 0.00 0.00 39.64 38.31 3dh4 n ILE 362 CO 0.00 0.00 0.00 1.62 -0.00 0.00 0.00 176.55 178.17 3dh4 h VAL 363 N -1.00 0.61 0.00 1.39 3.04 -1.35 -1.00 116.25 117.95 3dh4 h VAL 363 Ca -0.27 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3dh4 h VAL 363 Cb 1.24 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3dh4 h VAL 363 CO -0.17 0.00 0.00 -0.24 -1.01 0.00 0.00 177.57 176.15 3dh4 n SER 364 N -4.20 0.00 -0.24 3.17 2.88 -0.42 -2.78 113.62 112.02 3dh4 n SER 364 Ca 0.11 0.82 0.24 0.00 -1.33 0.00 0.00 58.87 58.71 3dh4 n SER 364 Cb 0.68 -0.32 0.60 0.00 -0.75 0.00 0.00 64.21 64.42 3dh4 n SER 364 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3dh4 h SER 365 N 0.00 0.24 0.76 -3.46 0.02 -1.30 -0.98 113.55 108.84 3dh4 h SER 365 Ca 0.00 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3dh4 h SER 365 Cb 0.00 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.54 3dh4 h SER 365 CO 0.00 0.08 -0.37 -0.07 -1.14 0.00 0.00 176.83 175.33 3dh4 h LEU 366 N 0.23 -0.87 -0.37 5.07 3.38 -1.47 -1.90 115.31 119.38 3dh4 h LEU 366 Ca 0.49 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.55 3dh4 h LEU 366 Cb 1.52 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 42.40 3dh4 h LEU 366 CO -0.13 -0.56 -0.32 0.00 0.09 0.00 0.00 178.44 177.52 3dh4 h ALA 367 N -0.96 -0.20 -0.54 1.53 0.00 -1.01 0.95 119.26 119.04 3dh4 h ALA 367 Ca -0.10 0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3dh4 h ALA 367 Cb 0.80 0.69 -0.09 0.00 0.00 0.00 0.00 17.79 19.19 3dh4 h ALA 367 CO 0.17 -0.73 -0.53 0.77 0.00 0.00 0.00 179.25 178.94 3dh4 h SER 368 N -0.26 -1.80 -0.95 0.00 0.02 -1.51 0.36 113.55 109.41 3dh4 h SER 368 Ca 0.16 0.26 0.07 0.00 -0.84 0.00 0.00 61.79 61.44 3dh4 h SER 368 Cb 0.54 0.77 -0.07 0.00 0.14 0.00 0.00 62.40 63.77 3dh4 h SER 368 CO -0.52 -0.36 0.60 0.24 -1.14 0.00 0.00 176.83 175.65 3dh4 h MET 369 N -0.30 1.05 0.09 3.45 2.07 -0.22 -2.13 114.93 118.94 3dh4 h MET 369 Ca 0.12 -0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.68 3dh4 h MET 369 Cb 0.56 -0.24 -0.00 0.00 -1.87 0.00 0.00 31.60 30.06 3dh4 h MET 369 CO -0.67 0.69 -0.06 -0.07 1.07 0.00 0.00 176.91 177.88 3dh4 h LEU 370 N 1.08 -0.15 -0.92 1.22 3.38 0.28 -2.43 115.31 117.77 3dh4 h LEU 370 Ca 0.42 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.42 3dh4 h LEU 370 Cb 0.20 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3dh4 h LEU 370 CO -0.18 -0.09 0.60 -0.55 0.09 0.00 0.00 178.44 178.31 3dh4 h ASN 371 N -0.14 1.01 -0.37 -0.43 7.08 -1.06 -0.69 115.58 120.98 3dh4 h ASN 371 Ca -0.01 -0.01 0.08 0.00 -3.08 0.00 0.00 56.30 53.27 3dh4 h ASN 371 Cb 0.11 -0.23 -0.08 0.00 -2.08 0.00 0.00 38.32 36.04 3dh4 h ASN 371 CO 0.01 0.70 -0.21 0.28 -2.08 0.00 0.00 177.43 176.13 3dh4 h SER 372 N 1.18 -0.71 -0.08 6.14 0.02 -1.43 1.14 113.55 119.80 3dh4 h SER 372 Ca 0.36 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.46 3dh4 h SER 372 Cb -0.02 0.37 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 3dh4 h SER 372 CO -0.11 -0.24 0.05 0.74 -1.14 0.00 0.00 176.83 176.12 3dh4 h THR 373 N -0.16 1.06 0.88 -2.27 2.02 -0.80 0.15 112.91 113.80 3dh4 h THR 373 Ca 0.18 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 3dh4 h THR 373 Cb 0.44 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3dh4 h THR 373 CO -0.46 0.05 -0.47 0.00 0.37 0.00 0.00 175.52 175.01 3dh4 h ALA 374 N 0.97 -1.31 -0.25 6.16 0.00 -0.29 0.59 119.26 125.14 3dh4 h ALA 374 Ca 0.03 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3dh4 h ALA 374 Cb 0.05 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 3dh4 h ALA 374 CO -0.00 -1.24 -0.48 1.79 0.00 0.00 0.00 179.25 179.31 3dh4 h THR 375 N -1.24 0.07 -0.85 0.00 1.35 0.13 0.62 112.91 112.99 3dh4 h THR 375 Ca -0.12 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.88 3dh4 h THR 375 Cb 0.97 0.07 -0.14 0.00 -1.73 0.00 0.00 68.15 67.32 3dh4 h THR 375 CO 0.17 0.00 -0.36 0.40 -0.25 0.00 0.00 175.52 175.48 3dh4 h ILE 376 N -0.46 0.07 0.62 6.82 2.04 -0.64 0.32 117.51 126.27 3dh4 h ILE 376 Ca 0.08 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 3dh4 h ILE 376 Cb 0.63 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3dh4 h ILE 376 CO -0.49 0.00 -0.30 0.15 0.00 0.00 0.00 178.15 177.52 3dh4 h PHE 377 N -0.06 -0.77 -0.75 1.37 3.57 0.18 -0.27 116.94 120.21 3dh4 h PHE 377 Ca 0.31 -0.02 0.22 0.00 3.53 0.00 0.00 57.97 62.01 3dh4 h PHE 377 Cb 0.58 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 3dh4 h PHE 377 CO -0.78 -0.48 0.54 1.79 -2.23 0.00 0.00 178.31 177.15 3dh4 h THR 378 N -0.86 0.63 0.00 4.41 1.35 0.51 -0.59 112.91 118.36 3dh4 h THR 378 Ca -0.09 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3dh4 h THR 378 Cb 0.64 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 3dh4 h THR 378 CO 0.14 0.00 -0.01 0.24 -0.25 0.00 0.00 175.52 175.64 3dh4 h MET 379 N 0.01 0.00 0.00 4.72 2.86 -0.86 0.13 114.93 121.80 3dh4 h MET 379 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 3dh4 h MET 379 Cb 1.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.07 3dh4 h MET 379 CO -0.01 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.71 3dh4 n ASP 380 N -2.31 0.59 -0.06 1.22 8.00 -0.12 -0.67 116.55 123.19 3dh4 n ASP 380 Ca -0.00 0.56 -0.10 0.00 0.71 0.00 0.00 54.79 55.95 3dh4 n ASP 380 Cb 0.01 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 40.36 3dh4 n ASP 380 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3dh4 n ILE 381 N -2.05 1.32 0.02 0.53 2.08 -0.29 -4.45 119.36 116.51 3dh4 n ILE 381 Ca 0.06 0.08 -0.18 0.00 0.56 0.00 0.00 62.75 63.27 3dh4 n ILE 381 Cb 0.40 -2.01 -0.13 0.00 -0.75 0.00 0.00 39.64 37.15 3dh4 n ILE 381 CO 0.00 0.00 0.00 0.22 0.56 0.00 0.00 176.55 177.33 3dh4 h TYR 382 N -0.69 0.51 0.05 1.39 3.20 -1.41 -2.05 116.97 117.97 3dh4 h TYR 382 Ca -0.14 -0.32 -0.00 0.00 3.14 0.00 0.00 58.73 61.41 3dh4 h TYR 382 Cb 0.90 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.13 3dh4 h TYR 382 CO -0.23 1.19 -0.02 -0.22 -1.64 0.00 0.00 178.16 177.23 3dh4 h LYS 383 N -0.31 -0.06 0.00 1.82 3.64 0.16 0.11 116.57 121.92 3dh4 h LYS 383 Ca -0.10 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.11 3dh4 h LYS 383 Cb 1.41 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.22 3dh4 h LYS 383 CO 0.12 0.54 -0.82 1.49 -2.27 0.00 0.00 179.45 178.51 3dh4 h GLU 384 N -0.74 0.07 0.00 1.90 4.81 -1.05 -3.04 114.58 116.53 3dh4 h GLU 384 Ca -0.01 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3dh4 h GLU 384 Cb 0.63 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3dh4 h GLU 384 CO 0.01 0.85 -1.12 0.66 -0.73 0.00 0.00 179.01 178.68 3dh4 n TYR 385 N -3.62 0.00 -0.09 0.92 4.01 -0.92 -4.83 117.16 112.64 3dh4 n TYR 385 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 3dh4 n TYR 385 Cb 0.78 -0.08 -0.12 0.00 -0.31 0.00 0.00 39.34 39.61 3dh4 n TYR 385 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3dh4 h ILE 386 N 0.00 1.30 -1.92 -0.72 2.04 -0.74 -3.49 117.51 113.98 3dh4 h ILE 386 Ca -0.04 -2.21 -0.03 0.00 1.00 0.00 0.00 64.86 63.57 3dh4 h ILE 386 Cb 0.91 2.70 -0.20 0.00 -0.74 0.00 0.00 36.82 39.49 3dh4 h ILE 386 CO 0.00 0.44 0.25 -0.94 0.00 0.00 0.00 178.15 177.90 3dh4 s SER 387 N -6.50 -0.61 -0.02 1.72 1.04 0.31 -5.03 113.70 104.60 3dh4 s SER 387 Ca -0.23 0.69 -0.24 0.00 0.48 0.00 0.00 55.95 56.66 3dh4 s SER 387 Cb 0.01 0.54 -0.20 0.00 0.10 0.00 0.00 66.02 66.47 3dh4 s SER 387 CO 0.62 -0.55 1.18 1.55 0.98 0.00 0.00 173.24 177.03 3dh4 h PRO 388 N 3.01 0.18 -3.66 4.02 0.13 -1.78 -3.33 132.00 130.57 3dh4 h PRO 388 Ca -0.26 -0.13 -0.52 0.00 -0.87 0.00 0.00 66.00 64.22 3dh4 h PRO 388 Cb 1.14 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.90 3dh4 h PRO 388 CO 0.36 0.75 -0.77 -0.51 -0.23 0.00 0.00 178.00 177.61 3dh4 s ASP 389 N -6.09 2.90 -0.08 1.44 1.01 -1.26 -4.83 116.67 109.75 3dh4 s ASP 389 Ca -0.15 -0.80 -0.24 0.00 0.71 0.00 0.00 52.55 52.07 3dh4 s ASP 389 Cb 0.02 -0.65 -0.29 0.00 1.01 0.00 0.00 42.92 43.01 3dh4 s ASP 389 CO 0.73 -0.29 0.83 0.77 0.21 0.00 0.00 175.17 177.42 3dh4 h SER 390 N 8.22 0.29 0.00 0.27 4.64 -1.97 -3.51 113.55 121.49 3dh4 h SER 390 Ca -0.17 -0.96 0.00 0.00 -0.47 0.00 0.00 61.79 60.19 3dh4 h SER 390 Cb 1.12 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3dh4 h SER 390 CO 0.34 1.26 0.00 0.61 -0.87 0.00 0.00 176.83 178.18 3dh4 n GLY 391 N 1.65 -0.63 0.28 -0.77 0.00 -1.26 -4.81 105.19 99.65 3dh4 n GLY 391 Ca -0.13 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.36 3dh4 n GLY 391 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dh4 n ASP 392 N 0.00 1.38 -0.09 1.61 -0.08 -1.26 -4.35 116.55 113.76 3dh4 n ASP 392 Ca 0.00 -1.19 -0.12 0.00 -1.51 0.00 0.00 54.79 51.97 3dh4 n ASP 392 Cb 0.00 0.38 -0.04 0.00 2.34 0.00 0.00 41.12 43.80 3dh4 n ASP 392 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 3dh4 n HIS 393 N -0.08 0.38 0.29 -0.67 -0.00 -1.26 -3.96 115.22 109.92 3dh4 n HIS 393 Ca 0.05 0.16 0.15 0.00 0.46 0.00 0.00 57.72 58.54 3dh4 n HIS 393 Cb 0.23 -0.71 0.88 0.00 -0.12 0.00 0.00 29.99 30.28 3dh4 n HIS 393 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3dh4 h LYS 394 N -1.00 0.00 -0.43 1.57 1.79 -1.87 -1.15 116.57 115.48 3dh4 h LYS 394 Ca -0.13 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.37 3dh4 h LYS 394 Cb 0.97 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.58 3dh4 h LYS 394 CO -0.08 0.03 0.22 1.25 -1.08 0.00 0.00 179.45 179.79 3dh4 h LEU 395 N 0.00 0.33 0.04 2.94 6.46 -1.76 0.19 115.31 123.51 3dh4 h LEU 395 Ca -0.00 0.02 -0.26 0.00 -0.12 0.00 0.00 57.88 57.52 3dh4 h LEU 395 Cb 0.08 -0.05 0.02 0.00 -0.73 0.00 0.00 40.66 39.98 3dh4 h LEU 395 CO 0.00 0.24 -1.03 0.58 -0.62 0.00 0.00 178.44 177.61 3dh4 h VAL 396 N 0.45 1.31 0.26 1.05 2.07 -1.49 0.63 116.25 120.52 3dh4 h VAL 396 Ca 0.18 -2.30 0.01 0.00 0.82 0.00 0.00 66.70 65.41 3dh4 h VAL 396 Cb 0.07 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 3dh4 h VAL 396 CO -0.12 0.70 -0.32 -1.13 0.02 0.00 0.00 177.57 176.73 3dh4 h ASN 397 N 0.26 -0.87 0.90 0.57 -0.00 -1.21 0.84 115.58 116.06 3dh4 h ASN 397 Ca -0.14 0.08 -0.01 0.00 -0.00 0.00 0.00 56.30 56.23 3dh4 h ASN 397 Cb 1.71 0.31 -0.00 0.00 -0.00 0.00 0.00 38.32 40.33 3dh4 h ASN 397 CO 0.20 -0.43 -0.07 0.58 -0.00 0.00 0.00 177.43 177.71 3dh4 h VAL 398 N -0.62 0.18 -0.37 2.57 2.07 -0.70 -3.02 116.25 116.36 3dh4 h VAL 398 Ca -0.00 -0.64 -0.16 0.00 0.82 0.00 0.00 66.70 66.72 3dh4 h VAL 398 Cb 0.59 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3dh4 h VAL 398 CO -0.10 0.06 -0.38 1.23 0.02 0.00 0.00 177.57 178.41 3dh4 h GLY 399 N 1.87 0.99 -3.08 2.17 0.00 0.12 -3.14 103.07 102.00 3dh4 h GLY 399 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.31 3dh4 h GLY 399 CO 0.01 0.92 0.00 -0.96 0.00 0.00 0.00 176.54 176.51 3dh4 n ARG 400 N -4.09 4.06 -0.07 4.80 1.85 0.20 -4.01 116.66 119.40 3dh4 n ARG 400 Ca -0.03 -2.68 -0.06 0.00 -1.00 0.00 0.00 57.85 54.09 3dh4 n ARG 400 Cb 0.54 -2.05 -0.03 0.00 -1.05 0.00 0.00 32.46 29.87 3dh4 n ARG 400 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 3dh4 h THR 401 N 3.55 0.16 -1.02 8.89 2.02 -1.48 -3.37 112.91 121.66 3dh4 h THR 401 Ca 0.00 -1.17 0.24 0.00 0.77 0.00 0.00 66.41 66.25 3dh4 h THR 401 Cb 1.63 0.36 -0.11 0.00 -1.74 0.00 0.00 68.15 68.29 3dh4 h THR 401 CO 0.35 0.05 0.63 0.00 0.37 0.00 0.00 175.52 176.93 3dh4 h ALA 402 N -0.91 1.98 -0.97 6.16 0.00 -1.74 0.43 119.26 124.20 3dh4 h ALA 402 Ca -0.04 0.09 0.31 0.00 0.00 0.00 0.00 54.91 55.27 3dh4 h ALA 402 Cb 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.13 3dh4 h ALA 402 CO -0.02 -0.40 0.46 0.00 0.00 0.00 0.00 179.25 179.28 3dh4 h ALA 403 N 1.66 1.79 0.02 0.00 0.00 -1.73 0.58 119.26 121.59 3dh4 h ALA 403 Ca 0.61 0.22 -0.14 0.00 0.00 0.00 0.00 54.91 55.60 3dh4 h ALA 403 Cb 1.30 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3dh4 h ALA 403 CO -0.37 -0.60 -0.72 0.28 0.00 0.00 0.00 179.25 177.84 3dh4 h VAL 404 N 0.24 1.34 -1.08 0.00 2.07 -1.09 -1.97 116.25 115.75 3dh4 h VAL 404 Ca 0.70 -2.30 0.29 0.00 0.82 0.00 0.00 66.70 66.21 3dh4 h VAL 404 Cb 1.60 2.85 -0.08 0.00 -1.52 0.00 0.00 31.29 34.14 3dh4 h VAL 404 CO -0.66 0.52 0.72 0.58 0.02 0.00 0.00 177.57 178.75 3dh4 h VAL 405 N -0.86 0.48 0.00 2.57 2.07 -0.81 0.38 116.25 120.06 3dh4 h VAL 405 Ca -0.18 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3dh4 h VAL 405 Cb 1.26 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3dh4 h VAL 405 CO -0.06 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.58 3dh4 n ALA 406 N -2.54 -0.30 -0.31 1.67 0.00 0.20 -3.41 120.51 115.81 3dh4 n ALA 406 Ca 0.26 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.90 3dh4 n ALA 406 Cb 0.99 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.83 3dh4 n ALA 406 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dh4 n LEU 407 N -1.85 0.07 -0.22 0.00 0.00 0.05 0.67 117.00 115.72 3dh4 n LEU 407 Ca 0.00 1.57 -0.08 0.00 0.00 0.00 0.00 56.01 57.50 3dh4 n LEU 407 Cb 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 43.42 42.80 3dh4 n LEU 407 CO 0.00 -1.66 0.87 0.16 0.00 0.00 0.00 177.39 176.76 3dh4 h ILE 408 N 0.00 1.26 -0.19 1.96 3.07 -0.51 0.33 117.51 123.43 3dh4 h ILE 408 Ca 0.66 -1.06 -0.04 0.00 1.55 0.00 0.00 64.86 65.97 3dh4 h ILE 408 Cb 1.56 0.71 -0.01 0.00 -0.27 0.00 0.00 36.82 38.82 3dh4 h ILE 408 CO -0.81 0.39 -0.04 0.40 -1.05 0.00 0.00 178.15 177.04 3dh4 h ILE 409 N 0.98 1.28 -0.73 0.16 2.04 0.22 0.46 117.51 121.91 3dh4 h ILE 409 Ca 0.19 -1.00 0.16 0.00 1.00 0.00 0.00 64.86 65.21 3dh4 h ILE 409 Cb 0.47 1.55 -0.11 0.00 -0.74 0.00 0.00 36.82 37.99 3dh4 h ILE 409 CO 0.02 0.30 0.15 0.00 0.00 0.00 0.00 178.15 178.62 3dh4 h ALA 410 N 0.74 0.92 0.00 1.87 0.00 -0.87 0.74 119.26 122.66 3dh4 h ALA 410 Ca 0.05 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3dh4 h ALA 410 Cb 0.47 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3dh4 h ALA 410 CO 0.02 -0.36 -0.39 0.00 0.00 0.00 0.00 179.25 178.52 3dh4 h LEU 412 N 0.00 -0.01 0.00 0.00 5.85 0.17 -3.27 115.31 118.05 3dh4 h LEU 412 Ca -0.00 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.09 3dh4 h LEU 412 Cb 0.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3dh4 h LEU 412 CO 0.05 0.63 -0.48 2.30 -0.34 0.00 0.00 178.44 180.60 3dh4 n ILE 413 N -4.79 0.09 -0.15 4.05 -5.35 0.07 -4.38 119.36 108.90 3dh4 n ILE 413 Ca -0.09 -0.07 -0.10 0.00 -0.27 0.00 0.00 62.75 62.22 3dh4 n ILE 413 Cb 0.32 0.07 -0.05 0.00 -1.74 0.00 0.00 39.64 38.24 3dh4 n ILE 413 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dh4 h ALA 414 N 2.87 -0.44 0.00 -1.28 0.00 -0.44 -2.27 119.26 117.70 3dh4 h ALA 414 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dh4 h ALA 414 Cb 0.56 0.94 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3dh4 h ALA 414 CO 0.00 -0.88 0.00 -1.00 0.00 0.00 0.00 179.25 177.37 3dh4 h PRO 415 N -0.31 0.00 0.00 0.00 0.13 -1.76 -3.18 132.00 126.88 3dh4 h PRO 415 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3dh4 h PRO 415 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 3dh4 h PRO 415 CO -0.61 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 175.83 3dh4 n MET 416 N -2.80 0.03 -0.06 0.86 2.81 -0.85 -2.18 117.12 114.93 3dh4 n MET 416 Ca -0.01 0.36 0.10 0.00 -1.81 0.00 0.00 57.70 56.34 3dh4 n MET 416 Cb 0.15 -1.57 0.41 0.00 -0.71 0.00 0.00 33.22 31.50 3dh4 n MET 416 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3dh4 n LEU 417 N -1.63 1.11 0.23 4.03 4.77 -1.20 -3.78 117.00 120.53 3dh4 n LEU 417 Ca 0.02 -0.47 0.16 0.00 -0.03 0.00 0.00 56.01 55.69 3dh4 n LEU 417 Cb 0.12 -0.08 0.61 0.00 -2.33 0.00 0.00 43.42 41.75 3dh4 n LEU 417 CO 0.10 0.23 0.95 1.23 -1.33 0.00 0.00 177.39 178.58 3dh4 h GLY 418 N 5.18 0.00 -4.43 -0.72 0.00 -1.72 -2.75 103.07 98.63 3dh4 h GLY 418 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 3dh4 h GLY 418 CO 0.00 0.00 0.93 0.61 0.00 0.00 0.00 176.54 178.08 3dh4 n GLY 419 N 0.11 5.60 2.97 4.60 0.00 -1.25 -4.89 105.19 112.33 3dh4 n GLY 419 Ca 0.01 -2.32 -0.11 0.00 0.00 0.00 0.00 46.02 43.60 3dh4 n GLY 419 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dh4 s ILE 420 N -4.75 0.22 -0.06 -0.61 1.01 -1.04 -5.09 121.20 110.89 3dh4 s ILE 420 Ca 0.58 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 3dh4 s ILE 420 Cb 0.47 -0.29 -0.07 0.00 0.01 0.00 0.00 42.46 42.57 3dh4 s ILE 420 CO -0.19 -0.28 0.50 1.23 0.00 0.00 0.00 174.94 176.20 3dh4 h GLY 421 N 5.13 -0.38 -7.32 6.18 0.00 -1.85 -3.43 103.07 101.40 3dh4 h GLY 421 Ca -0.31 0.14 -0.60 0.00 0.00 0.00 0.00 47.33 46.56 3dh4 h GLY 421 CO 0.44 -0.14 -0.80 1.20 0.00 0.00 0.00 176.54 177.25 3dh4 s GLN 422 N -2.87 1.72 0.20 4.80 -0.21 -1.26 -2.94 119.66 119.10 3dh4 s GLN 422 Ca -0.07 -0.85 -0.11 0.00 0.02 0.00 0.00 55.36 54.36 3dh4 s GLN 422 Cb 0.01 -2.42 0.18 0.00 1.00 0.00 0.00 33.01 31.77 3dh4 s GLN 422 CO 0.21 -0.51 1.84 0.00 -2.12 0.00 0.00 175.29 174.71 3dh4 h ALA 423 N 7.99 0.88 -0.91 6.09 0.00 -1.86 -2.81 119.26 128.65 3dh4 h ALA 423 Ca -0.22 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 54.91 3dh4 h ALA 423 Cb 1.09 -0.21 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 3dh4 h ALA 423 CO 0.43 0.18 0.34 0.35 0.00 0.00 0.00 179.25 180.56 3dh4 h PHE 424 N 0.82 0.55 0.00 0.00 3.57 -1.89 0.46 116.94 120.45 3dh4 h PHE 424 Ca 0.27 0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.68 3dh4 h PHE 424 Cb 0.02 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3dh4 h PHE 424 CO -0.05 -0.16 -0.63 1.96 -2.23 0.00 0.00 178.31 177.21 3dh4 h GLN 425 N 0.28 0.00 0.03 1.11 1.08 -1.84 -1.50 115.11 114.27 3dh4 h GLN 425 Ca 0.59 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.79 3dh4 h GLN 425 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 3dh4 h GLN 425 CO -0.61 0.63 -0.01 -0.92 -0.95 0.00 0.00 178.83 176.96 3dh4 h TYR 426 N 0.00 -0.04 0.02 2.96 3.20 -0.06 -0.79 116.97 122.26 3dh4 h TYR 426 Ca -0.01 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.88 3dh4 h TYR 426 Cb 1.24 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 3dh4 h TYR 426 CO 0.00 0.11 -0.14 0.82 -1.64 0.00 0.00 178.16 177.31 3dh4 h ILE 427 N -0.18 0.66 -0.46 1.81 2.04 -0.72 -2.46 117.51 118.20 3dh4 h ILE 427 Ca -0.00 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 3dh4 h ILE 427 Cb 0.17 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3dh4 h ILE 427 CO 0.01 0.00 -0.07 1.56 0.00 0.00 0.00 178.15 179.64 3dh4 h GLN 428 N -0.25 0.80 -0.50 2.37 1.08 -1.29 -2.94 115.11 114.37 3dh4 h GLN 428 Ca 0.04 -0.25 -0.06 0.00 -1.45 0.00 0.00 58.65 56.93 3dh4 h GLN 428 Cb 0.30 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 3dh4 h GLN 428 CO -0.12 0.85 0.08 1.49 -0.95 0.00 0.00 178.83 180.18 3dh4 h GLU 429 N 0.73 0.83 0.00 1.46 4.81 -1.02 -3.20 114.58 118.19 3dh4 h GLU 429 Ca 0.13 -0.22 -0.29 0.00 -0.13 0.00 0.00 59.36 58.85 3dh4 h GLU 429 Cb 0.55 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 3dh4 h GLU 429 CO 0.03 0.82 -1.81 0.66 -0.73 0.00 0.00 179.01 177.99 3dh4 n TYR 430 N -4.41 0.81 0.26 0.92 4.01 -0.94 -2.56 117.16 115.26 3dh4 n TYR 430 Ca 0.01 0.29 0.12 0.00 -0.16 0.00 0.00 57.90 58.16 3dh4 n TYR 430 Cb 0.25 -1.14 0.73 0.00 -0.31 0.00 0.00 39.34 38.88 3dh4 n TYR 430 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3dh4 h THR 431 N 0.00 0.68 0.00 -0.72 1.35 -1.68 -0.66 112.91 111.89 3dh4 h THR 431 Ca -0.32 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3dh4 h THR 431 Cb 2.01 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 3dh4 h THR 431 CO 0.07 0.09 0.17 0.61 -0.25 0.00 0.00 175.52 176.21 3dh4 n GLY 432 N -0.96 -0.67 0.15 5.82 0.00 -1.06 0.13 105.19 108.60 3dh4 n GLY 432 Ca -0.02 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 3dh4 n GLY 432 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dh4 h LEU 433 N 0.00 0.48 0.00 0.99 3.38 -1.19 -3.41 115.31 115.56 3dh4 h LEU 433 Ca 0.00 -0.38 -0.21 0.00 0.09 0.00 0.00 57.88 57.37 3dh4 h LEU 433 Cb 0.33 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3dh4 h LEU 433 CO 0.00 1.18 -1.76 0.55 0.09 0.00 0.00 178.44 178.50 3dh4 n VAL 434 N -3.73 0.75 -0.34 1.22 3.14 0.01 -4.66 118.33 114.72 3dh4 n VAL 434 Ca -0.06 -0.24 0.18 0.00 -2.96 0.00 0.00 64.34 61.26 3dh4 n VAL 434 Cb 0.83 -1.31 0.41 0.00 -1.06 0.00 0.00 33.84 32.70 3dh4 n VAL 434 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 3dh4 h SER 435 N -0.24 0.64 -0.24 6.55 4.64 0.78 -2.03 113.55 123.63 3dh4 h SER 435 Ca -0.32 0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.04 3dh4 h SER 435 Cb 1.38 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 3dh4 h SER 435 CO -0.13 0.12 -0.15 -0.65 -0.87 0.00 0.00 176.83 175.16 3dh4 h PRO 436 N 0.56 0.53 -0.65 4.77 0.11 -1.78 0.32 132.00 135.87 3dh4 h PRO 436 Ca 0.63 -0.24 -0.08 0.00 0.11 0.00 0.00 66.00 66.41 3dh4 h PRO 436 Cb 1.25 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3dh4 h PRO 436 CO -0.42 0.81 0.10 0.78 -0.21 0.00 0.00 178.00 179.05 3dh4 h GLY 437 N 0.25 1.16 0.56 -0.55 0.00 -1.68 0.94 103.07 103.74 3dh4 h GLY 437 Ca 0.05 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3dh4 h GLY 437 CO 0.04 0.72 -0.33 0.29 0.00 0.00 0.00 176.54 177.26 3dh4 n ILE 438 N -4.24 0.00 -0.07 2.60 -5.35 -0.83 -2.40 119.36 109.08 3dh4 n ILE 438 Ca 0.04 -0.08 -0.14 0.00 -0.27 0.00 0.00 62.75 62.30 3dh4 n ILE 438 Cb 0.29 0.31 -0.12 0.00 -1.74 0.00 0.00 39.64 38.38 3dh4 n ILE 438 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3dh4 h LEU 439 N 0.74 0.00 -0.89 7.28 5.85 -0.19 -3.20 115.31 124.89 3dh4 h LEU 439 Ca 0.00 -0.91 0.24 0.00 0.84 0.00 0.00 57.88 58.04 3dh4 h LEU 439 Cb 0.50 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.39 3dh4 h LEU 439 CO 0.00 1.00 0.33 0.00 -0.34 0.00 0.00 178.44 179.43 3dh4 h ALA 440 N -0.09 1.40 0.14 1.25 0.00 -0.72 0.48 119.26 121.72 3dh4 h ALA 440 Ca -0.02 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3dh4 h ALA 440 Cb 0.96 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3dh4 h ALA 440 CO -0.01 -0.43 -0.22 0.28 0.00 0.00 0.00 179.25 178.86 3dh4 h VAL 441 N 0.29 0.50 0.15 0.00 2.07 -1.61 -2.80 116.25 114.84 3dh4 h VAL 441 Ca 0.57 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.09 3dh4 h VAL 441 Cb 1.15 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3dh4 h VAL 441 CO -0.60 0.00 -0.12 -0.26 0.02 0.00 0.00 177.57 176.61 3dh4 h PHE 442 N -0.43 -0.31 -0.08 1.57 0.05 -0.13 0.65 116.94 118.26 3dh4 h PHE 442 Ca 0.02 0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.85 3dh4 h PHE 442 Cb 0.44 0.12 -0.05 0.00 2.00 0.00 0.00 35.95 38.46 3dh4 h PHE 442 CO -0.20 -0.19 -0.19 -0.07 -0.18 0.00 0.00 178.31 177.48 3dh4 h LEU 443 N -0.28 -0.59 -0.71 1.54 -0.00 -1.00 0.21 115.31 114.50 3dh4 h LEU 443 Ca -0.00 0.09 -0.05 0.00 -0.00 0.00 0.00 57.88 57.93 3dh4 h LEU 443 Cb 0.26 0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 41.14 3dh4 h LEU 443 CO -0.02 -0.25 0.26 -0.07 -0.00 0.00 0.00 178.44 178.37 3dh4 h LEU 444 N -0.27 0.99 0.19 1.67 3.38 -1.45 0.22 115.31 120.04 3dh4 h LEU 444 Ca 0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3dh4 h LEU 444 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3dh4 h LEU 444 CO -0.24 0.91 -0.29 1.23 0.09 0.00 0.00 178.44 180.14 3dh4 h GLY 445 N 1.02 -1.10 -0.23 0.83 0.00 -0.08 0.86 103.07 104.37 3dh4 h GLY 445 Ca 0.23 0.52 0.07 0.00 0.00 0.00 0.00 47.33 48.16 3dh4 h GLY 445 CO -0.02 -0.34 -0.40 1.41 0.00 0.00 0.00 176.54 177.19 3dh4 h LEU 446 N -0.51 -1.33 0.00 3.11 3.38 -0.51 -3.33 115.31 116.12 3dh4 h LEU 446 Ca -0.02 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3dh4 h LEU 446 Cb 0.47 0.59 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3dh4 h LEU 446 CO -0.09 -0.36 -0.96 0.49 0.09 0.00 0.00 178.44 177.61 3dh4 n PHE 447 N -5.42 0.00 -3.95 1.13 3.01 0.76 -4.80 117.46 108.19 3dh4 n PHE 447 Ca -0.01 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 3dh4 n PHE 447 Cb 0.35 -0.06 -0.15 0.00 -0.01 0.00 0.00 39.48 39.61 3dh4 n PHE 447 CO 0.00 0.00 0.00 -0.46 1.01 0.00 0.00 176.76 177.31 3dh4 s TRP 448 N -2.69 3.16 -0.67 1.38 -0.00 0.30 -4.97 118.94 115.44 3dh4 s TRP 448 Ca 0.04 -2.59 0.14 0.00 -0.00 0.00 0.00 56.10 53.69 3dh4 s TRP 448 Cb 0.13 -2.51 0.66 0.00 -0.00 0.00 0.00 33.47 31.75 3dh4 s TRP 448 CO 0.70 -0.92 1.42 0.36 -0.00 0.00 0.00 176.95 178.52 3dh4 n LYS 449 N 4.43 0.08 0.18 5.86 2.85 -1.26 -1.49 118.16 128.81 3dh4 n LYS 449 Ca 0.01 0.47 0.12 0.00 -1.05 0.00 0.00 58.31 57.86 3dh4 n LYS 449 Cb 0.42 -1.71 0.23 0.00 -0.65 0.00 0.00 35.03 33.33 3dh4 n LYS 449 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3dh4 h LYS 450 N 0.00 0.00 -6.95 -1.58 1.63 -1.90 -2.73 116.57 105.05 3dh4 h LYS 450 Ca 0.00 0.00 -0.54 0.00 -0.85 0.00 0.00 60.65 59.26 3dh4 h LYS 450 Cb 0.12 0.00 0.11 0.00 -0.60 0.00 0.00 32.23 31.86 3dh4 h LYS 450 CO 0.00 0.00 0.76 0.99 -3.45 0.00 0.00 179.45 177.75 3dh4 s THR 451 N -3.18 2.08 0.19 1.00 2.01 -0.55 -4.49 115.64 112.69 3dh4 s THR 451 Ca 0.08 0.07 0.10 0.00 0.31 0.00 0.00 61.69 62.25 3dh4 s THR 451 Cb 0.08 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 3dh4 s THR 451 CO 0.66 0.02 -0.21 0.42 -0.69 0.00 0.00 174.62 174.82 3dh4 s THR 452 N -1.13 2.10 0.25 -0.82 -4.23 -1.26 -4.65 115.64 105.90 3dh4 s THR 452 Ca 0.54 -2.03 -0.03 0.00 -1.18 0.00 0.00 61.69 58.99 3dh4 s THR 452 Cb -0.46 -2.01 0.22 0.00 1.34 0.00 0.00 72.50 71.59 3dh4 s THR 452 CO 0.62 -0.25 1.76 0.28 -0.54 0.00 0.00 174.62 176.48 3dh4 h SER 453 N 3.10 0.45 0.27 3.99 0.02 -1.89 0.49 113.55 119.98 3dh4 h SER 453 Ca -0.43 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3dh4 h SER 453 Cb 1.21 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 3dh4 h SER 453 CO 0.51 0.20 -0.32 0.11 -1.14 0.00 0.00 176.83 176.19 3dh4 h LYS 454 N 0.57 -0.61 0.45 3.45 6.56 -1.98 -0.54 116.57 124.47 3dh4 h LYS 454 Ca 0.42 0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 60.05 3dh4 h LYS 454 Cb 0.58 0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.35 3dh4 h LYS 454 CO -0.35 -0.41 -0.43 0.78 -2.06 0.00 0.00 179.45 176.98 3dh4 h GLY 455 N -0.64 -1.06 -0.99 3.86 0.00 -1.72 -2.19 103.07 100.34 3dh4 h GLY 455 Ca -0.00 0.50 0.11 0.00 0.00 0.00 0.00 47.33 47.94 3dh4 h GLY 455 CO -0.10 -0.34 -0.52 0.00 0.00 0.00 0.00 176.54 175.58 3dh4 n ALA 456 N -2.74 -0.46 0.14 3.60 0.00 0.12 -1.28 120.51 119.89 3dh4 n ALA 456 Ca -0.11 0.89 -0.14 0.00 0.00 0.00 0.00 53.44 54.08 3dh4 n ALA 456 Cb 0.42 -0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 3dh4 n ALA 456 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3dh4 h ILE 457 N 0.00 0.30 0.15 0.00 1.08 -0.87 -1.66 117.51 116.51 3dh4 h ILE 457 Ca 0.22 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.71 3dh4 h ILE 457 Cb 0.47 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 3dh4 h ILE 457 CO -0.95 0.00 -0.41 0.40 -0.69 0.00 0.00 178.15 176.51 3dh4 h ILE 458 N -0.60 0.18 -0.28 -0.67 2.04 -0.76 -2.56 117.51 114.87 3dh4 h ILE 458 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 3dh4 h ILE 458 Cb 0.60 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 3dh4 h ILE 458 CO -0.16 0.00 -0.04 1.23 0.00 0.00 0.00 178.15 179.18 3dh4 h GLY 459 N -0.66 0.23 1.19 5.37 0.00 -1.02 0.25 103.07 108.42 3dh4 h GLY 459 Ca 0.02 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 3dh4 h GLY 459 CO -0.21 -0.09 0.11 -0.24 0.00 0.00 0.00 176.54 176.10 3dh4 h VAL 460 N 0.03 1.25 0.02 4.60 3.04 -1.27 -0.94 116.25 122.98 3dh4 h VAL 460 Ca 0.13 -0.97 -0.00 0.00 -1.01 0.00 0.00 66.70 64.85 3dh4 h VAL 460 Cb 0.19 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 3dh4 h VAL 460 CO -0.26 0.36 -0.01 0.58 -1.01 0.00 0.00 177.57 177.24 3dh4 h VAL 461 N 0.94 1.26 0.00 1.51 2.07 -1.02 -3.04 116.25 117.96 3dh4 h VAL 461 Ca 0.19 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3dh4 h VAL 461 Cb 0.40 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3dh4 h VAL 461 CO 0.01 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.81 3dh4 n ALA 462 N -2.29 1.28 0.28 1.67 0.00 0.84 -2.68 120.51 119.61 3dh4 n ALA 462 Ca -0.08 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 3dh4 n ALA 462 Cb 0.20 -1.18 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 3dh4 n ALA 462 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3dh4 h SER 463 N 0.00 -0.58 -0.46 0.00 0.02 -1.05 -3.28 113.55 108.19 3dh4 h SER 463 Ca 0.00 -0.04 0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3dh4 h SER 463 Cb 0.12 0.15 -0.09 0.00 0.14 0.00 0.00 62.40 62.72 3dh4 h SER 463 CO 0.00 -0.30 -0.48 0.40 -1.14 0.00 0.00 176.83 175.31 3dh4 h ILE 464 N -0.85 0.06 -0.49 3.27 2.04 -1.65 0.52 117.51 120.42 3dh4 h ILE 464 Ca -0.07 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.89 3dh4 h ILE 464 Cb 0.59 0.06 -0.10 0.00 -0.74 0.00 0.00 36.82 36.64 3dh4 h ILE 464 CO 0.12 0.00 -0.23 1.55 0.00 0.00 0.00 178.15 179.59 3dh4 h PRO 465 N -0.32 -0.12 0.04 2.37 0.13 -1.75 0.32 132.00 132.67 3dh4 h PRO 465 Ca 0.13 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.29 3dh4 h PRO 465 Cb 0.58 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 3dh4 h PRO 465 CO -0.62 -0.08 -0.23 0.35 -0.23 0.00 0.00 178.00 177.19 3dh4 h PHE 466 N -0.12 -0.62 -0.57 1.56 3.57 -0.94 0.84 116.94 120.66 3dh4 h PHE 466 Ca 0.23 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.82 3dh4 h PHE 466 Cb 0.48 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 3dh4 h PHE 466 CO -0.50 -0.33 0.24 0.00 -2.23 0.00 0.00 178.31 175.49 3dh4 h ALA 467 N 0.43 0.73 -0.61 2.41 0.00 0.60 -1.21 119.26 121.62 3dh4 h ALA 467 Ca 0.05 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3dh4 h ALA 467 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3dh4 h ALA 467 CO -0.18 -0.15 0.07 -0.07 0.00 0.00 0.00 179.25 178.92 3dh4 h LEU 468 N 0.45 0.97 -0.02 0.00 3.38 -0.01 0.48 115.31 120.57 3dh4 h LEU 468 Ca 0.27 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3dh4 h LEU 468 Cb 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3dh4 h LEU 468 CO -0.24 0.99 -0.07 0.15 0.09 0.00 0.00 178.44 179.36 3dh4 h PHE 469 N 0.95 -0.16 -0.57 1.13 3.57 0.15 0.22 116.94 122.23 3dh4 h PHE 469 Ca 0.18 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3dh4 h PHE 469 Cb 0.45 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3dh4 h PHE 469 CO 0.03 -0.10 0.13 -0.07 -2.23 0.00 0.00 178.31 176.07 3dh4 h LEU 470 N -0.11 0.87 -1.36 0.59 3.38 -1.20 -2.78 115.31 114.70 3dh4 h LEU 470 Ca 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3dh4 h LEU 470 Cb 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3dh4 h LEU 470 CO -0.08 0.88 0.32 0.50 0.09 0.00 0.00 178.44 180.15 3dh4 h LYS 471 N 0.81 0.75 -1.06 1.13 1.63 -0.48 -3.26 116.57 116.10 3dh4 h LYS 471 Ca 0.18 -0.07 -0.56 0.00 -0.85 0.00 0.00 60.65 59.35 3dh4 h LYS 471 Cb 0.36 -0.16 -0.42 0.00 -0.60 0.00 0.00 32.23 31.40 3dh4 h LYS 471 CO 0.00 0.54 -0.80 1.19 -3.45 0.00 0.00 179.45 176.94 3dh4 n PHE 472 N -4.41 2.96 -4.30 1.91 3.72 0.74 -5.00 117.46 113.09 3dh4 n PHE 472 Ca 0.05 -2.59 -0.22 0.00 -0.05 0.00 0.00 57.45 54.64 3dh4 n PHE 472 Cb 0.09 -0.23 -0.12 0.00 -0.94 0.00 0.00 39.48 38.27 3dh4 n PHE 472 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 3dh4 s MET 473 N -3.57 1.17 0.09 -1.08 1.75 -1.06 -4.94 119.30 111.66 3dh4 s MET 473 Ca 0.49 -1.26 -0.29 0.00 -1.25 0.00 0.00 55.69 53.38 3dh4 s MET 473 Cb 0.40 -1.30 -0.12 0.00 2.84 0.00 0.00 34.83 36.66 3dh4 s MET 473 CO -0.05 0.28 1.46 -1.00 -0.65 0.00 0.00 175.02 175.06 3dh4 h PRO 474 N 3.70 -0.54 0.00 4.11 0.13 -1.90 -3.42 132.00 134.07 3dh4 h PRO 474 Ca -0.44 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3dh4 h PRO 474 Cb 1.19 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3dh4 h PRO 474 CO 0.45 -0.36 0.00 1.47 -0.23 0.00 0.00 178.00 179.33 3dh4 n LEU 475 N -4.97 0.00 -4.62 1.56 -0.00 -1.26 -4.62 117.00 103.09 3dh4 n LEU 475 Ca -0.06 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.52 3dh4 n LEU 475 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.73 3dh4 n LEU 475 CO 0.10 0.00 1.38 -0.44 -0.00 0.00 0.00 177.39 178.43 3dh4 s SER 476 N 0.00 6.26 -0.11 1.45 0.01 -1.26 -4.94 113.70 115.12 3dh4 s SER 476 Ca 0.00 1.43 -0.05 0.00 1.31 0.00 0.00 55.95 58.64 3dh4 s SER 476 Cb 0.00 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.75 3dh4 s SER 476 CO 0.00 -1.38 0.24 -0.32 0.41 0.00 0.00 173.24 172.19 3dh4 s MET 477 N 4.93 0.18 0.74 12.44 0.00 -1.26 -5.15 119.30 131.18 3dh4 s MET 477 Ca 0.72 0.56 -0.15 0.00 0.00 0.00 0.00 55.69 56.81 3dh4 s MET 477 Cb -0.23 -0.11 0.04 0.00 0.00 0.00 0.00 34.83 34.53 3dh4 s MET 477 CO 0.30 -0.19 1.22 -2.30 0.00 0.00 0.00 175.02 174.05 3dh4 n PRO 478 N 4.46 0.57 0.14 4.11 -0.02 -1.26 -4.72 135.00 138.28 3dh4 n PRO 478 Ca -0.21 0.26 -0.01 0.00 -2.02 0.00 0.00 63.50 61.52 3dh4 n PRO 478 Cb 0.52 -2.46 0.21 0.00 -0.02 0.00 0.00 33.50 31.76 3dh4 n PRO 478 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3dh4 h PHE 479 N -0.30 0.05 0.53 6.00 -5.15 -1.91 0.58 116.94 116.74 3dh4 h PHE 479 Ca -0.48 -0.02 -0.03 0.00 -0.20 0.00 0.00 57.97 57.25 3dh4 h PHE 479 Cb 1.32 -0.01 0.01 0.00 0.22 0.00 0.00 35.95 37.48 3dh4 h PHE 479 CO 0.44 0.58 -0.25 0.52 -2.00 0.00 0.00 178.31 177.59 3dh4 h MET 480 N 0.03 -0.68 -1.03 6.09 2.86 -1.86 0.70 114.93 121.04 3dh4 h MET 480 Ca -0.00 0.05 0.27 0.00 -2.06 0.00 0.00 59.70 57.95 3dh4 h MET 480 Cb 0.98 0.16 -0.12 0.00 0.06 0.00 0.00 31.60 32.68 3dh4 h MET 480 CO 0.07 -0.38 0.62 -0.44 1.06 0.00 0.00 176.91 177.85 3dh4 h ASP 481 N -0.97 0.58 0.70 1.22 3.32 -1.90 -2.58 116.42 116.79 3dh4 h ASP 481 Ca -0.07 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3dh4 h ASP 481 Cb 0.62 0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.22 3dh4 h ASP 481 CO 0.12 0.06 -0.34 -0.61 -1.72 0.00 0.00 179.24 176.75 3dh4 h GLN 482 N 0.48 -0.91 0.00 3.56 4.15 0.80 -3.24 115.11 119.96 3dh4 h GLN 482 Ca 0.65 0.06 0.00 0.00 0.77 0.00 0.00 58.65 60.13 3dh4 h GLN 482 Cb 1.41 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.31 3dh4 h GLN 482 CO -0.44 -0.58 0.00 0.00 -1.93 0.00 0.00 178.83 175.88 3dh4 n MET 483 N -5.43 0.09 0.12 1.69 0.00 0.24 -1.50 117.12 112.33 3dh4 n MET 483 Ca -0.13 0.13 -0.05 0.00 0.00 0.00 0.00 57.70 57.66 3dh4 n MET 483 Cb 0.39 -1.50 -0.02 0.00 0.00 0.00 0.00 33.22 32.08 3dh4 n MET 483 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3dh4 h LEU 484 N 0.00 -0.28 -1.00 3.17 6.46 -1.55 -3.15 115.31 118.97 3dh4 h LEU 484 Ca 0.00 0.01 0.38 0.00 -0.12 0.00 0.00 57.88 58.15 3dh4 h LEU 484 Cb 0.30 0.07 -0.17 0.00 -0.73 0.00 0.00 40.66 40.13 3dh4 h LEU 484 CO 0.00 -0.12 0.48 1.88 -0.62 0.00 0.00 178.44 180.06 3dh4 h TYR 485 N -0.48 0.74 0.41 1.25 -1.99 -1.29 0.15 116.97 115.75 3dh4 h TYR 485 Ca -0.03 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 3dh4 h TYR 485 Cb 0.25 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 3dh4 h TYR 485 CO 0.08 -0.40 -0.38 1.15 -0.00 0.00 0.00 178.16 178.61 3dh4 h THR 486 N 0.08 0.00 -0.47 -2.88 2.02 -1.61 0.48 112.91 110.53 3dh4 h THR 486 Ca 0.79 0.00 0.10 0.00 0.77 0.00 0.00 66.41 68.07 3dh4 h THR 486 Cb 1.99 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.30 3dh4 h THR 486 CO -0.75 0.00 -0.14 0.25 0.37 0.00 0.00 175.52 175.25 3dh4 h LEU 487 N -0.78 -0.50 -0.59 2.58 6.46 -0.69 0.37 115.31 122.16 3dh4 h LEU 487 Ca -0.05 0.15 0.07 0.00 -0.12 0.00 0.00 57.88 57.93 3dh4 h LEU 487 Cb 0.67 0.31 -0.06 0.00 -0.73 0.00 0.00 40.66 40.85 3dh4 h LEU 487 CO -0.03 -0.17 0.26 -0.07 -0.62 0.00 0.00 178.44 177.80 3dh4 h LEU 488 N -0.02 0.32 0.07 2.25 3.38 -1.19 0.15 115.31 120.26 3dh4 h LEU 488 Ca 0.23 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 3dh4 h LEU 488 Cb 0.37 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3dh4 h LEU 488 CO -0.50 0.20 -0.03 0.15 0.09 0.00 0.00 178.44 178.35 3dh4 h PHE 489 N 0.47 -0.09 -0.47 1.13 3.04 0.07 -1.71 116.94 119.39 3dh4 h PHE 489 Ca 0.28 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.32 3dh4 h PHE 489 Cb 0.28 0.03 -0.10 0.00 2.56 0.00 0.00 35.95 38.72 3dh4 h PHE 489 CO -0.13 0.02 -0.31 1.15 -2.02 0.00 0.00 178.31 177.02 3dh4 h THR 490 N -0.18 0.24 -0.19 4.41 2.02 0.59 -0.93 112.91 118.87 3dh4 h THR 490 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.21 3dh4 h THR 490 Cb 0.15 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 3dh4 h THR 490 CO 0.02 0.00 -0.03 0.24 0.37 0.00 0.00 175.52 176.11 3dh4 h MET 491 N -0.20 0.02 0.00 6.66 2.86 -0.66 -2.10 114.93 121.51 3dh4 h MET 491 Ca 0.20 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 3dh4 h MET 491 Cb 0.53 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 3dh4 h MET 491 CO -0.58 0.01 -0.11 -0.24 1.06 0.00 0.00 176.91 177.05 3dh4 h VAL 492 N 0.02 0.89 0.00 -2.22 3.04 -0.34 0.25 116.25 117.89 3dh4 h VAL 492 Ca 0.09 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 3dh4 h VAL 492 Cb 0.13 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 3dh4 h VAL 492 CO -0.18 0.10 0.00 0.52 -1.01 0.00 0.00 177.57 177.00 3dh4 n VAL 493 N -4.15 0.00 -0.27 1.51 0.31 -0.45 -3.08 118.33 112.21 3dh4 n VAL 493 Ca -0.03 1.01 0.27 0.00 -0.01 0.00 0.00 64.34 65.58 3dh4 n VAL 493 Cb 0.19 -1.92 0.62 0.00 -0.91 0.00 0.00 33.84 31.82 3dh4 n VAL 493 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 3dh4 h ILE 494 N 0.00 0.53 0.00 2.52 3.07 -1.11 0.95 117.51 123.47 3dh4 h ILE 494 Ca 0.00 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.34 3dh4 h ILE 494 Cb 0.00 0.32 -0.01 0.00 -0.27 0.00 0.00 36.82 36.86 3dh4 h ILE 494 CO 0.00 0.04 -0.08 0.00 -1.05 0.00 0.00 178.15 177.05 3dh4 h ALA 495 N 1.55 -0.57 -0.54 0.16 0.00 -0.63 0.22 119.26 119.45 3dh4 h ALA 495 Ca 0.52 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 3dh4 h ALA 495 Cb 1.67 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 20.01 3dh4 h ALA 495 CO -0.13 -0.60 0.10 0.74 0.00 0.00 0.00 179.25 179.36 3dh4 h PHE 496 N -0.11 0.89 0.73 0.00 0.04 -0.84 0.42 116.94 118.08 3dh4 h PHE 496 Ca 0.00 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 3dh4 h PHE 496 Cb 0.11 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 38.00 3dh4 h PHE 496 CO -0.38 0.76 -0.45 1.15 -0.60 0.00 0.00 178.31 178.79 3dh4 h THR 497 N 0.82 0.09 0.00 -1.55 2.02 -0.94 -1.31 112.91 112.03 3dh4 h THR 497 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 3dh4 h THR 497 Cb 0.35 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3dh4 h THR 497 CO 0.00 0.00 0.00 0.77 0.37 0.00 0.00 175.52 176.66 3dh4 h SER 498 N -1.11 0.00 0.30 4.18 4.64 -0.42 -2.00 113.55 119.13 3dh4 h SER 498 Ca -0.09 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.00 3dh4 h SER 498 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3dh4 h SER 498 CO 0.09 0.00 -0.95 0.25 -0.87 0.00 0.00 176.83 175.36 3dh4 h LEU 499 N 0.00 0.58 -2.34 5.97 5.85 -0.37 -2.58 115.31 122.42 3dh4 h LEU 499 Ca 0.00 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3dh4 h LEU 499 Cb 0.27 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3dh4 h LEU 499 CO 0.00 1.26 0.00 -1.20 -0.34 0.00 0.00 178.44 178.16 3dh4 n SER 500 N -3.76 3.47 -0.05 1.25 7.64 -0.55 -4.27 113.62 117.36 3dh4 n SER 500 Ca -0.07 -1.98 -0.05 0.00 1.01 0.00 0.00 58.87 57.78 3dh4 n SER 500 Cb 0.84 -0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 3dh4 n SER 500 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3dh4 n THR 501 N 1.47 0.66 -1.55 0.44 -2.24 -0.80 -4.93 114.28 107.32 3dh4 n THR 501 Ca 0.20 -0.39 -0.38 0.00 -2.27 0.00 0.00 64.05 61.21 3dh4 n THR 501 Cb 0.59 -0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 68.02 3dh4 n THR 501 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3dh4 n SER 502 N -2.40 2.32 0.16 3.42 3.41 -0.97 -4.80 113.62 114.77 3dh4 n SER 502 Ca -0.16 -0.31 -0.15 0.00 -0.26 0.00 0.00 58.87 57.98 3dh4 n SER 502 Cb 0.80 -1.52 -0.08 0.00 -0.26 0.00 0.00 64.21 63.15 3dh4 n SER 502 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3dh4 h ILE 503 N 7.62 0.13 -2.92 -1.33 5.03 -1.91 -3.42 117.51 120.70 3dh4 h ILE 503 Ca -0.26 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.48 3dh4 h ILE 503 Cb 1.27 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 35.19 3dh4 h ILE 503 CO 1.14 0.00 0.00 -0.46 -0.68 0.00 0.00 178.15 178.15 3dh4 n ASN 504 N -5.49 0.00 0.00 1.72 0.23 -1.26 -5.10 115.26 105.37 3dh4 n ASN 504 Ca -0.09 -0.57 0.00 0.00 -0.53 0.00 0.00 54.58 53.40 3dh4 n ASN 504 Cb 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 3dh4 n ASN 504 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3dh4 n ASP 505 N -1.71 0.00 -4.69 0.53 2.03 -1.26 -4.81 116.55 106.64 3dh4 n ASP 505 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 3dh4 n ASP 505 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 3dh4 n ASP 505 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 3dh4 s ASP 506 N -1.44 6.96 -0.03 1.67 1.01 -1.26 -4.81 116.67 118.76 3dh4 s ASP 506 Ca 0.00 2.01 -0.39 0.00 0.71 0.00 0.00 52.55 54.89 3dh4 s ASP 506 Cb 0.00 -2.56 -0.17 0.00 1.01 0.00 0.00 42.92 41.19 3dh4 s ASP 506 CO 0.00 -0.63 1.36 -0.67 0.21 0.00 0.00 175.17 175.45 3dh4 n ASP 507 N 4.96 1.37 -0.01 0.27 4.64 -1.03 -4.81 116.55 121.94 3dh4 n ASP 507 Ca 0.12 1.13 0.03 0.00 -1.38 0.00 0.00 54.79 54.68 3dh4 n ASP 507 Cb 0.45 -1.10 0.39 0.00 -1.04 0.00 0.00 41.12 39.82 3dh4 n ASP 507 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3dh4 h PRO 508 N 4.68 0.56 0.00 -0.67 0.13 -1.91 0.66 132.00 135.45 3dh4 h PRO 508 Ca -0.48 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3dh4 h PRO 508 Cb 1.36 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3dh4 h PRO 508 CO 0.79 0.41 0.00 1.17 -0.23 0.00 0.00 178.00 180.14 3dh4 n LYS 509 N -4.44 0.89 -1.43 0.86 4.81 -1.26 -4.91 118.16 112.68 3dh4 n LYS 509 Ca 0.03 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.15 3dh4 n LYS 509 Cb 0.09 -1.07 0.08 0.00 0.02 0.00 0.00 35.03 34.15 3dh4 n LYS 509 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3dh4 s GLY 510 N -1.23 1.95 0.06 3.14 0.00 0.23 -4.69 107.32 106.77 3dh4 s GLY 510 Ca 0.06 0.48 -0.30 0.00 0.00 0.00 0.00 44.72 44.95 3dh4 s GLY 510 CO 0.04 0.84 1.14 -1.50 0.00 0.00 0.00 173.10 173.63 3dh4 s ILE 511 N -2.55 4.21 0.12 0.90 -1.16 -1.26 -4.87 121.20 116.58 3dh4 s ILE 511 Ca 0.65 1.61 -0.35 0.00 -0.51 0.00 0.00 60.65 62.05 3dh4 s ILE 511 Cb -0.20 -4.03 -0.16 0.00 0.61 0.00 0.00 42.46 38.67 3dh4 s ILE 511 CO 0.49 0.14 1.30 -1.20 -2.81 0.00 0.00 174.94 172.86 3dh4 n SER 512 N 3.77 1.63 -2.41 4.50 7.64 -1.26 -4.61 113.62 122.88 3dh4 n SER 512 Ca 0.08 1.12 -0.06 0.00 1.01 0.00 0.00 58.87 61.02 3dh4 n SER 512 Cb 0.47 -1.21 -0.07 0.00 -1.01 0.00 0.00 64.21 62.40 3dh4 n SER 512 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3dh4 n VAL 513 N 2.23 0.00 -2.41 0.44 0.24 -1.26 -4.82 118.33 112.75 3dh4 n VAL 513 Ca 0.17 -0.28 -0.38 0.00 -2.04 0.00 0.00 64.34 61.81 3dh4 n VAL 513 Cb 0.21 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.55 3dh4 n VAL 513 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3dh4 s THR 514 N 0.00 3.41 0.14 3.34 -4.23 -1.26 -5.04 115.64 112.00 3dh4 s THR 514 Ca 0.38 1.15 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 3dh4 s THR 514 Cb -0.25 -3.63 -0.00 0.00 1.34 0.00 0.00 72.50 69.96 3dh4 s THR 514 CO 0.16 0.08 0.01 -1.20 -0.54 0.00 0.00 174.62 173.14 3dh4 n SER 515 N 0.08 1.95 -3.60 3.99 7.64 -1.26 -5.00 113.62 117.42 3dh4 n SER 515 Ca 0.04 -1.65 -0.43 0.00 1.01 0.00 0.00 58.87 57.83 3dh4 n SER 515 Cb 0.48 0.17 -0.08 0.00 -1.01 0.00 0.00 64.21 63.77 3dh4 n SER 515 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3dh4 n SER 516 N -1.36 2.04 -0.12 6.43 7.64 -1.26 -4.12 113.62 122.87 3dh4 n SER 516 Ca -0.05 -2.62 0.02 0.00 1.01 0.00 0.00 58.87 57.23 3dh4 n SER 516 Cb 0.19 -0.93 0.01 0.00 -1.01 0.00 0.00 64.21 62.46 3dh4 n SER 516 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 3dh4 n MET 517 N 7.34 0.23 0.09 1.43 3.85 -1.26 -4.55 117.12 124.26 3dh4 n MET 517 Ca 0.49 -0.63 -0.18 0.00 -1.00 0.00 0.00 57.70 56.38 3dh4 n MET 517 Cb 0.41 -1.02 -0.11 0.00 -1.05 0.00 0.00 33.22 31.46 3dh4 n MET 517 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 175.97 176.71 3dh4 h PHE 518 N 0.60 0.79 0.00 3.17 -1.00 -1.83 -3.46 116.94 115.21 3dh4 h PHE 518 Ca 0.00 -0.49 0.00 0.00 2.81 0.00 0.00 57.97 60.29 3dh4 h PHE 518 Cb 0.14 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.63 3dh4 h PHE 518 CO 0.00 1.34 0.00 1.33 -1.61 0.00 0.00 178.31 179.37 3dh4 n VAL 519 N -3.73 0.00 -3.32 -0.55 0.24 -1.26 -4.85 118.33 104.86 3dh4 n VAL 519 Ca -0.10 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.01 3dh4 n VAL 519 Cb 0.95 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 33.32 3dh4 n VAL 519 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3dh4 s THR 520 N 0.00 3.70 0.34 3.34 -1.32 -1.26 -5.09 115.64 115.35 3dh4 s THR 520 Ca 0.00 -1.00 -0.14 0.00 -1.21 0.00 0.00 61.69 59.33 3dh4 s THR 520 Cb 0.00 -3.27 -0.09 0.00 -1.51 0.00 0.00 72.50 67.64 3dh4 s THR 520 CO 0.00 -0.10 0.75 1.51 -2.21 0.00 0.00 174.62 174.56 3dh4 s ASP 521 N -4.23 6.74 -1.14 8.08 -4.77 -1.26 -4.87 116.67 115.21 3dh4 s ASP 521 Ca 0.48 1.27 -0.22 0.00 -3.30 0.00 0.00 52.55 50.78 3dh4 s ASP 521 Cb -0.10 -2.37 -0.01 0.00 -1.09 0.00 0.00 42.92 39.35 3dh4 s ASP 521 CO 0.32 -0.24 1.81 -0.60 0.70 0.00 0.00 175.17 177.15 3dh4 s ARG 522 N -3.12 3.11 0.00 2.11 6.06 -1.26 -1.08 118.95 124.77 3dh4 s ARG 522 Ca 0.54 -1.25 0.00 0.00 -2.50 0.00 0.00 55.73 52.52 3dh4 s ARG 522 Cb -0.10 -5.32 0.00 0.00 0.06 0.00 0.00 34.95 29.59 3dh4 s ARG 522 CO 0.19 -3.11 0.00 0.45 -2.50 0.00 0.00 175.30 170.34 3dh4 n SER 523 N 11.74 0.00 0.07 -2.12 2.88 -1.26 -4.82 113.62 120.11 3dh4 n SER 523 Ca 0.43 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.86 3dh4 n SER 523 Cb 0.47 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 3dh4 n SER 523 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3dh4 h PHE 524 N 0.00 -0.38 0.07 0.66 3.57 -1.89 -2.09 116.94 116.88 3dh4 h PHE 524 Ca 0.00 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.52 3dh4 h PHE 524 Cb 0.00 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3dh4 h PHE 524 CO 0.00 -0.22 -0.32 -0.91 -2.23 0.00 0.00 178.31 174.62 3dh4 h ASN 525 N -0.27 -0.98 -0.97 0.41 -0.26 -1.43 0.86 115.58 112.94 3dh4 h ASN 525 Ca 0.04 0.10 0.15 0.00 -0.56 0.00 0.00 56.30 56.03 3dh4 h ASN 525 Cb 0.31 0.36 -0.09 0.00 -1.06 0.00 0.00 38.32 37.85 3dh4 h ASN 525 CO -0.12 -0.34 0.61 -0.29 -1.06 0.00 0.00 177.43 176.23 3dh4 h ILE 526 N -0.46 0.84 -0.06 2.81 2.10 -1.80 -0.66 117.51 120.27 3dh4 h ILE 526 Ca -0.00 -0.29 -0.01 0.00 1.08 0.00 0.00 64.86 65.64 3dh4 h ILE 526 Cb 0.46 -0.08 -0.00 0.00 -1.09 0.00 0.00 36.82 36.11 3dh4 h ILE 526 CO -0.18 0.15 0.01 0.00 -1.08 0.00 0.00 178.15 177.06 3dh4 h ALA 527 N 1.58 0.07 -0.88 0.18 0.00 -1.02 -2.72 119.26 116.49 3dh4 h ALA 527 Ca 0.51 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.51 3dh4 h ALA 527 Cb 0.68 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.32 3dh4 h ALA 527 CO -0.28 -0.31 0.34 0.00 0.00 0.00 0.00 179.25 179.01 3dh4 h ALA 528 N 0.80 1.36 0.74 0.00 0.00 0.70 -1.54 119.26 121.32 3dh4 h ALA 528 Ca 0.02 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3dh4 h ALA 528 Cb 0.23 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3dh4 h ALA 528 CO 0.00 -0.37 -0.35 1.88 0.00 0.00 0.00 179.25 180.40 3dh4 h TYR 529 N 0.34 -0.92 -0.86 0.00 0.99 -1.24 -2.42 116.97 112.88 3dh4 h TYR 529 Ca 0.55 -0.02 0.22 0.00 2.00 0.00 0.00 58.73 61.47 3dh4 h TYR 529 Cb 1.05 0.30 -0.15 0.00 1.00 0.00 0.00 36.73 38.94 3dh4 h TYR 529 CO -0.17 -0.55 0.09 0.78 -0.00 0.00 0.00 178.16 178.31 3dh4 h GLY 530 N -1.14 1.12 0.39 3.88 0.00 -1.09 0.54 103.07 106.77 3dh4 h GLY 530 Ca -0.10 0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.33 3dh4 h GLY 530 CO 0.17 -0.37 -0.33 -2.22 0.00 0.00 0.00 176.54 173.78 3dh4 h ILE 531 N 0.11 0.30 0.07 2.60 2.04 -1.27 0.18 117.51 121.54 3dh4 h ILE 531 Ca 0.51 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.38 3dh4 h ILE 531 Cb 0.98 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3dh4 h ILE 531 CO -0.73 0.00 -0.12 0.24 0.00 0.00 0.00 178.15 177.54 3dh4 h MET 532 N -0.54 -0.23 -0.92 2.37 2.86 0.42 -0.39 114.93 118.50 3dh4 h MET 532 Ca 0.04 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.87 3dh4 h MET 532 Cb 0.58 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.19 3dh4 h MET 532 CO -0.21 -0.15 0.50 0.82 1.06 0.00 0.00 176.91 178.93 3dh4 h ILE 533 N -0.24 0.68 -0.66 -1.22 2.04 -0.55 0.46 117.51 118.03 3dh4 h ILE 533 Ca 0.02 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 3dh4 h ILE 533 Cb 0.26 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 3dh4 h ILE 533 CO -0.07 0.12 0.14 0.58 0.00 0.00 0.00 178.15 178.92 3dh4 h VAL 534 N 0.65 1.26 0.27 1.67 2.07 0.31 -1.79 116.25 120.68 3dh4 h VAL 534 Ca 0.53 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3dh4 h VAL 534 Cb 0.81 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3dh4 h VAL 534 CO -0.39 0.37 -0.13 -0.07 0.02 0.00 0.00 177.57 177.37 3dh4 h LEU 535 N 0.99 -0.30 -0.57 2.57 3.38 -0.28 -3.08 115.31 118.02 3dh4 h LEU 535 Ca 0.20 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3dh4 h LEU 535 Cb 0.39 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 3dh4 h LEU 535 CO 0.01 0.17 -0.34 0.00 0.09 0.00 0.00 178.44 178.37 3dh4 n ALA 536 N -2.72 -0.37 -0.16 1.53 0.00 0.16 -0.10 120.51 118.85 3dh4 n ALA 536 Ca -0.06 0.49 -0.02 0.00 0.00 0.00 0.00 53.44 53.85 3dh4 n ALA 536 Cb 0.18 -0.03 0.06 0.00 0.00 0.00 0.00 19.45 19.66 3dh4 n ALA 536 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3dh4 h VAL 537 N 0.00 0.60 -0.33 0.00 3.04 -1.44 -0.99 116.25 117.14 3dh4 h VAL 537 Ca 0.09 -0.04 -0.15 0.00 -1.01 0.00 0.00 66.70 65.59 3dh4 h VAL 537 Cb 0.23 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 29.99 3dh4 h VAL 537 CO -0.54 0.02 -0.41 0.17 -1.01 0.00 0.00 177.57 175.80 3dh4 h LEU 538 N 0.10 0.86 -0.82 3.16 8.10 -0.41 1.03 115.31 127.34 3dh4 h LEU 538 Ca 0.25 -0.40 -0.05 0.00 0.11 0.00 0.00 57.88 57.79 3dh4 h LEU 538 Cb 0.38 -0.24 -0.03 0.00 -0.44 0.00 0.00 40.66 40.32 3dh4 h LEU 538 CO -0.43 1.16 0.26 1.88 -4.11 0.00 0.00 178.44 177.20 3dh4 h TYR 539 N 0.65 1.17 -0.06 0.17 0.05 -0.56 -0.63 116.97 117.76 3dh4 h TYR 539 Ca 0.05 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 3dh4 h TYR 539 Cb 0.98 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 38.37 3dh4 h TYR 539 CO 0.05 0.91 0.00 1.15 -1.05 0.00 0.00 178.16 179.23 3dh4 h THR 540 N 1.10 1.23 -0.92 -2.88 2.02 -0.84 -2.58 112.91 110.04 3dh4 h THR 540 Ca 0.25 -0.72 0.27 0.00 0.77 0.00 0.00 66.41 66.97 3dh4 h THR 540 Cb 0.26 1.60 -0.16 0.00 -1.74 0.00 0.00 68.15 68.12 3dh4 h THR 540 CO -0.01 0.20 0.24 0.25 0.37 0.00 0.00 175.52 176.57 3dh4 h LEU 541 N -0.16 -0.04 0.09 2.58 5.85 0.20 0.39 115.31 124.21 3dh4 h LEU 541 Ca 0.02 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3dh4 h LEU 541 Cb 0.31 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3dh4 h LEU 541 CO 0.00 -0.23 -0.04 -0.26 -0.34 0.00 0.00 178.44 177.57 3dh4 h PHE 542 N 0.15 -0.11 -0.95 1.25 0.04 -1.18 -3.21 116.94 112.93 3dh4 h PHE 542 Ca 0.61 -0.00 0.36 0.00 2.80 0.00 0.00 57.97 61.74 3dh4 h PHE 542 Cb 1.30 0.04 -0.17 0.00 2.20 0.00 0.00 35.95 39.31 3dh4 h PHE 542 CO -0.27 -0.07 0.39 1.87 -0.60 0.00 0.00 178.31 179.63 3dh4 n TRP 543 N -4.09 0.98 0.51 -0.55 -0.00 -0.97 0.14 117.44 113.47 3dh4 n TRP 543 Ca -0.01 1.12 0.09 0.00 -0.00 0.00 0.00 57.50 58.70 3dh4 n TRP 543 Cb 0.05 -1.45 0.39 0.00 -0.00 0.00 0.00 31.31 30.30 3dh4 n TRP 543 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 3dh4 n VAL 544 N -5.20 0.87 0.17 5.87 3.14 0.13 -0.98 118.33 122.33 3dh4 n VAL 544 Ca 0.33 0.21 0.06 0.00 -2.96 0.00 0.00 64.34 61.98 3dh4 n VAL 544 Cb 1.10 -0.99 0.09 0.00 -1.06 0.00 0.00 33.84 32.98 3dh4 n VAL 544 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3dh4 h LEU 545 N 0.00 0.00 -6.05 6.55 3.38 0.12 -3.39 115.31 115.92 3dh4 h LEU 545 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3dh4 h LEU 545 Cb 0.32 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.65 3dh4 h LEU 545 CO 0.00 0.29 -0.66 -1.22 0.09 0.00 0.00 178.44 176.94 3dh4 n TYR 546 N -3.18 3.25 0.00 1.13 4.02 -0.15 -5.14 117.16 117.09 3dh4 n TYR 546 Ca 0.03 -4.07 0.00 0.00 -0.01 0.00 0.00 57.90 53.85 3dh4 n TYR 546 Cb 0.65 -0.53 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 3dh4 n TYR 546 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48