#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2r h ARG 22 N 0.00 0.62 -0.64 -0.52 1.12 -2.04 -2.10 114.38 110.81 3d2r h ARG 22 Ca 0.00 -0.29 0.13 0.00 -1.11 0.00 0.00 59.98 58.71 3d2r h ARG 22 Cb 0.00 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 29.91 3d2r h ARG 22 CO 0.00 0.88 0.43 0.93 -3.11 0.00 0.00 179.97 179.10 3d2r h GLU 23 N 0.36 0.33 -0.28 0.20 3.07 -2.02 -1.20 114.58 115.03 3d2r h GLU 23 Ca 0.06 -0.02 -0.17 0.00 -0.50 0.00 0.00 59.36 58.72 3d2r h GLU 23 Cb 0.71 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 3d2r h GLU 23 CO 0.05 0.22 -0.50 0.28 -1.40 0.00 0.00 179.01 177.65 3d2r h VAL 24 N 0.34 1.28 0.21 3.13 2.07 -1.80 -1.27 116.25 120.22 3d2r h VAL 24 Ca 0.31 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 3d2r h VAL 24 Cb 0.74 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3d2r h VAL 24 CO -0.08 0.55 -0.10 -0.08 0.02 0.00 0.00 177.57 177.88 3d2r h GLU 25 N 0.61 -0.28 -0.13 1.57 4.57 -1.01 -1.72 114.58 118.19 3d2r h GLU 25 Ca 0.02 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 3d2r h GLU 25 Cb 1.11 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.70 3d2r h GLU 25 CO 0.11 0.00 -0.53 1.25 -1.18 0.00 0.00 179.01 178.67 3d2r h HIS 26 N -0.54 -1.57 0.00 0.92 2.76 -1.32 -2.65 115.15 112.75 3d2r h HIS 26 Ca -0.03 0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 3d2r h HIS 26 Cb 0.40 0.70 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 3d2r h HIS 26 CO 0.01 -0.54 -0.24 0.74 -1.30 0.00 0.00 177.93 176.60 3d2r h PHE 27 N -0.58 0.00 0.00 5.26 -1.00 -1.27 0.26 116.94 119.61 3d2r h PHE 27 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 3d2r h PHE 27 Cb 0.68 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.24 3d2r h PHE 27 CO -0.57 0.24 0.00 -1.13 -1.61 0.00 0.00 178.31 175.24 3d2r n SER 28 N -3.67 0.44 0.23 2.17 3.41 -0.65 -2.08 113.62 113.47 3d2r n SER 28 Ca -0.01 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 3d2r n SER 28 Cb 0.36 -0.72 0.44 0.00 -0.26 0.00 0.00 64.21 64.03 3d2r n SER 28 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3d2r h ARG 29 N 0.00 0.00 -6.76 4.33 3.08 -0.80 -3.45 114.38 110.78 3d2r h ARG 29 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 3d2r h ARG 29 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3d2r h ARG 29 CO 0.00 0.16 0.09 0.71 -1.07 0.00 0.00 179.97 179.86 3d2r s TYR 30 N -3.53 3.43 -0.07 3.04 1.51 -0.88 -5.08 117.35 115.77 3d2r s TYR 30 Ca 0.02 1.09 -0.07 0.00 -1.01 0.00 0.00 57.07 57.10 3d2r s TYR 30 Cb 0.09 -2.46 -0.04 0.00 -0.11 0.00 0.00 41.96 39.44 3d2r s TYR 30 CO 0.63 0.00 0.20 -1.54 -1.11 0.00 0.00 175.55 173.73 3d2r s SER 31 N -2.76 6.46 0.64 2.29 1.04 -1.26 -4.92 113.70 115.19 3d2r s SER 31 Ca 0.52 0.53 -0.17 0.00 0.48 0.00 0.00 55.95 57.31 3d2r s SER 31 Cb -0.10 -2.09 -0.08 0.00 0.10 0.00 0.00 66.02 63.85 3d2r s SER 31 CO 0.25 0.35 0.42 -2.65 0.98 0.00 0.00 173.24 172.60 3d2r n PRO 32 N 1.68 0.37 -3.77 4.02 -0.02 -1.26 -4.98 135.00 131.03 3d2r n PRO 32 Ca -0.17 0.15 -0.37 0.00 -2.02 0.00 0.00 63.50 61.10 3d2r n PRO 32 Cb 0.54 -1.67 -0.12 0.00 -0.02 0.00 0.00 33.50 32.23 3d2r n PRO 32 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3d2r s SER 33 N -1.27 5.24 0.48 2.55 0.01 -1.26 -5.10 113.70 114.35 3d2r s SER 33 Ca 0.65 -1.57 -0.22 0.00 1.31 0.00 0.00 55.95 56.12 3d2r s SER 33 Cb -0.40 -1.83 -0.07 0.00 0.21 0.00 0.00 66.02 63.92 3d2r s SER 33 CO 0.58 -0.43 1.12 -2.16 0.41 0.00 0.00 173.24 172.76 3d2r s PRO 34 N 1.27 3.72 0.07 12.44 0.05 -1.26 -5.05 135.00 146.24 3d2r s PRO 34 Ca 0.02 1.64 0.08 0.00 0.05 0.00 0.00 61.00 62.79 3d2r s PRO 34 Cb -0.21 -2.28 -0.03 0.00 0.05 0.00 0.00 34.50 32.02 3d2r s PRO 34 CO -0.01 -0.55 -0.20 -0.51 0.05 0.00 0.00 177.00 175.78 3d2r s LEU 35 N -3.23 2.55 0.41 -3.56 1.43 -1.26 -4.84 118.68 110.17 3d2r s LEU 35 Ca 0.66 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3d2r s LEU 35 Cb -0.25 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 3d2r s LEU 35 CO 0.30 0.23 0.63 -0.94 0.23 0.00 0.00 176.35 176.79 3d2r s SER 36 N -1.64 6.04 0.36 2.29 1.04 -1.26 -1.10 113.70 119.42 3d2r s SER 36 Ca 0.15 0.38 0.12 0.00 0.48 0.00 0.00 55.95 57.09 3d2r s SER 36 Cb -0.10 -1.77 0.67 0.00 0.10 0.00 0.00 66.02 64.92 3d2r s SER 36 CO 0.06 -0.53 1.80 -0.03 0.98 0.00 0.00 173.24 175.52 3d2r h MET 37 N 0.53 0.00 -0.67 4.02 4.05 -0.81 -2.27 114.93 119.79 3d2r h MET 37 Ca -0.48 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 58.92 3d2r h MET 37 Cb 1.24 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.01 3d2r h MET 37 CO 0.59 0.40 0.32 -0.22 0.23 0.00 0.00 176.91 178.23 3d2r h LYS 38 N 0.00 0.96 -0.35 0.39 3.64 -1.73 -1.13 116.57 118.36 3d2r h LYS 38 Ca -0.00 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 3d2r h LYS 38 Cb 0.71 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3d2r h LYS 38 CO 0.05 0.77 -0.25 1.96 -2.27 0.00 0.00 179.45 179.70 3d2r h GLN 39 N 0.93 0.70 -0.40 1.90 4.20 -1.77 -0.14 115.11 120.52 3d2r h GLN 39 Ca 0.23 -0.29 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 3d2r h GLN 39 Cb 0.12 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3d2r h GLN 39 CO -0.03 0.88 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.67 3d2r h LEU 40 N 0.60 0.87 0.88 1.46 3.38 -1.21 0.24 115.31 121.54 3d2r h LEU 40 Ca 0.08 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3d2r h LEU 40 Cb 0.75 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.27 3d2r h LEU 40 CO 0.06 1.09 -0.42 -0.07 0.09 0.00 0.00 178.44 179.19 3d2r h LEU 41 N 0.72 -1.00 -0.71 1.67 3.38 -1.05 -1.06 115.31 117.26 3d2r h LEU 41 Ca 0.09 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.24 3d2r h LEU 41 Cb 0.82 0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.70 3d2r h LEU 41 CO 0.07 -0.66 -0.10 0.44 0.09 0.00 0.00 178.44 178.28 3d2r h ASP 42 N -1.28 -0.52 -0.30 -0.43 3.32 -0.97 0.18 116.42 116.42 3d2r h ASP 42 Ca -0.12 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3d2r h ASP 42 Cb 0.90 0.39 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3d2r h ASP 42 CO 0.20 -0.21 0.00 0.49 -1.72 0.00 0.00 179.24 178.00 3d2r n PHE 43 N -5.41 0.88 -0.19 4.55 3.01 0.85 -3.52 117.46 117.64 3d2r n PHE 43 Ca 0.11 -0.32 0.00 0.00 1.01 0.00 0.00 57.45 58.24 3d2r n PHE 43 Cb 0.40 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 3d2r n PHE 43 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d2r n GLY 44 N 0.49 -0.93 0.07 1.37 0.00 0.55 -4.85 105.19 101.88 3d2r n GLY 44 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 3d2r n GLY 44 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d2r h SER 45 N 0.00 0.04 0.00 1.61 4.64 -1.40 -3.43 113.55 115.01 3d2r h SER 45 Ca 0.00 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 60.37 3d2r h SER 45 Cb 0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3d2r h SER 45 CO 0.00 0.98 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.58 3d2r h GLU 46 N -0.90 0.00 0.00 4.77 5.08 -1.88 -3.51 114.58 118.14 3d2r h GLU 46 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3d2r h GLU 46 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3d2r h GLU 46 CO 0.01 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.11 3d2r n ASN 47 N -4.46 0.00 0.00 1.42 4.13 -1.26 -5.09 115.26 110.00 3d2r n ASN 47 Ca -0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.25 3d2r n ASN 47 Cb 0.02 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.26 3d2r n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3d2r h GLU 50 N 0.00 0.37 -0.57 0.00 4.81 -1.98 -0.37 114.58 116.84 3d2r h GLU 50 Ca 0.00 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3d2r h GLU 50 Cb 0.00 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 3d2r h GLU 50 CO 0.00 0.25 0.35 0.07 -0.73 0.00 0.00 179.01 178.94 3d2r h ARG 51 N 0.39 0.67 -0.30 1.92 0.11 -1.87 -0.31 114.38 114.98 3d2r h ARG 51 Ca 0.20 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 60.20 3d2r h ARG 51 Cb 0.15 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 3d2r h ARG 51 CO -0.17 0.44 0.02 1.15 0.10 0.00 0.00 179.97 181.51 3d2r h THR 52 N 0.69 1.25 -0.38 0.08 2.02 -1.82 -1.46 112.91 113.28 3d2r h THR 52 Ca 0.23 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 3d2r h THR 52 Cb 0.01 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3d2r h THR 52 CO -0.09 0.29 0.08 -1.28 0.37 0.00 0.00 175.52 174.88 3d2r h SER 53 N 0.32 0.59 -0.07 4.18 0.87 -0.90 -1.54 113.55 117.01 3d2r h SER 53 Ca 0.09 -0.25 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 3d2r h SER 53 Cb 0.40 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 3d2r h SER 53 CO 0.01 0.68 -0.49 0.15 -0.53 0.00 0.00 176.83 176.65 3d2r h PHE 54 N 0.47 -1.44 -0.68 2.24 3.57 -1.05 0.87 116.94 120.91 3d2r h PHE 54 Ca 0.12 0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.80 3d2r h PHE 54 Cb 0.33 0.64 -0.09 0.00 2.79 0.00 0.00 35.95 39.62 3d2r h PHE 54 CO 0.02 -0.53 0.22 0.00 -2.23 0.00 0.00 178.31 175.79 3d2r h ALA 55 N -0.19 0.90 0.02 2.41 0.00 -1.17 -1.63 119.26 119.60 3d2r h ALA 55 Ca 0.04 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3d2r h ALA 55 Cb 0.68 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3d2r h ALA 55 CO -0.39 -0.25 -0.01 0.35 0.00 0.00 0.00 179.25 178.96 3d2r h PHE 56 N 0.36 -0.02 0.00 0.00 3.04 -1.07 -3.24 116.94 116.01 3d2r h PHE 56 Ca 0.37 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 62.21 3d2r h PHE 56 Cb 0.55 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 3d2r h PHE 56 CO -0.20 0.31 -0.53 -0.07 -2.02 0.00 0.00 178.31 175.79 3d2r h LEU 57 N -0.35 0.00 -1.58 0.59 3.38 -0.56 0.15 115.31 116.94 3d2r h LEU 57 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3d2r h LEU 57 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3d2r h LEU 57 CO 0.00 0.53 -0.22 0.08 0.09 0.00 0.00 178.44 178.93 3d2r h ARG 58 N 0.00 0.00 0.00 1.13 0.11 -1.35 -0.81 114.38 113.46 3d2r h ARG 58 Ca -0.01 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 3d2r h ARG 58 Cb 0.98 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.04 3d2r h ARG 58 CO 0.07 0.22 -0.69 0.37 0.10 0.00 0.00 179.97 180.03 3d2r h GLN 59 N 0.00 0.00 -0.94 0.08 5.75 -1.53 -3.40 115.11 115.07 3d2r h GLN 59 Ca -0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3d2r h GLN 59 Cb 0.49 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.00 3d2r h GLN 59 CO 0.03 0.46 0.56 1.49 -2.65 0.00 0.00 178.83 178.72 3d2r h GLU 60 N -1.00 1.29 0.04 1.69 4.57 -0.64 -2.43 114.58 118.10 3d2r h GLU 60 Ca -0.13 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 3d2r h GLU 60 Cb 0.79 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3d2r h GLU 60 CO -0.08 0.91 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.57 3d2r h LEU 61 N 1.31 -0.05 -0.95 1.64 3.38 -1.37 -1.76 115.31 117.51 3d2r h LEU 61 Ca 0.34 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.28 3d2r h LEU 61 Cb -0.04 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 3d2r h LEU 61 CO -0.06 0.11 0.58 -0.65 0.09 0.00 0.00 178.44 178.51 3d2r h PRO 62 N -0.20 0.93 -0.15 1.13 0.11 -1.75 -0.47 132.00 131.60 3d2r h PRO 62 Ca -0.01 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.07 3d2r h PRO 62 Cb 0.18 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 3d2r h PRO 62 CO 0.01 0.61 0.01 0.28 -0.21 0.00 0.00 178.00 178.70 3d2r h VAL 63 N 0.95 0.91 -0.41 3.15 2.07 -1.13 0.69 116.25 122.48 3d2r h VAL 63 Ca 0.46 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.83 3d2r h VAL 63 Cb 0.41 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3d2r h VAL 63 CO -0.25 0.01 -0.25 0.03 0.02 0.00 0.00 177.57 177.14 3d2r h ARG 64 N 0.06 0.85 -0.41 1.57 3.08 -1.02 -1.12 114.38 117.40 3d2r h ARG 64 Ca 0.07 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 3d2r h ARG 64 Cb 0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3d2r h ARG 64 CO -0.10 1.00 0.06 -0.07 -1.07 0.00 0.00 179.97 179.79 3d2r h LEU 65 N 0.73 0.66 -0.64 3.04 3.38 -0.94 -2.87 115.31 118.66 3d2r h LEU 65 Ca 0.09 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 3d2r h LEU 65 Cb 0.79 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3d2r h LEU 65 CO 0.07 0.76 0.04 0.00 0.09 0.00 0.00 178.44 179.39 3d2r h ALA 66 N 0.93 0.86 -0.33 1.53 0.00 -0.72 -0.16 119.26 121.37 3d2r h ALA 66 Ca 0.12 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3d2r h ALA 66 Cb 0.38 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3d2r h ALA 66 CO 0.01 0.67 0.04 -0.91 0.00 0.00 0.00 179.25 179.06 3d2r h ASN 67 N 1.01 -0.05 0.68 0.00 2.35 -1.18 -0.71 115.58 117.68 3d2r h ASN 67 Ca 0.19 0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.80 3d2r h ASN 67 Cb 0.52 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 3d2r h ASN 67 CO 0.02 0.01 -0.91 -0.29 -1.65 0.00 0.00 177.43 174.61 3d2r h ILE 68 N 0.14 1.54 -0.93 2.81 6.09 -1.30 -2.80 117.51 123.05 3d2r h ILE 68 Ca 0.16 -2.78 0.04 0.00 -1.37 0.00 0.00 64.86 60.90 3d2r h ILE 68 Cb 0.19 2.56 -0.06 0.00 0.47 0.00 0.00 36.82 39.98 3d2r h ILE 68 CO -0.23 0.81 0.60 -0.07 -3.07 0.00 0.00 178.15 176.19 3d2r h LEU 69 N 0.07 1.00 -1.08 2.19 3.38 -0.83 0.49 115.31 120.53 3d2r h LEU 69 Ca -0.04 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3d2r h LEU 69 Cb 1.56 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 3d2r h LEU 69 CO 0.13 0.68 -0.16 0.50 0.09 0.00 0.00 178.44 179.68 3d2r h LYS 70 N 1.17 0.46 -0.17 1.13 1.63 -1.02 -2.91 116.57 116.84 3d2r h LYS 70 Ca 0.37 -0.14 -0.07 0.00 -0.85 0.00 0.00 60.65 59.96 3d2r h LYS 70 Cb 0.02 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.60 3d2r h LYS 70 CO -0.12 0.61 -0.17 1.49 -3.45 0.00 0.00 179.45 177.80 3d2r h GLU 71 N 0.42 0.42 -1.17 1.90 4.81 -1.05 -2.59 114.58 117.31 3d2r h GLU 71 Ca 0.07 -0.22 0.34 0.00 -0.13 0.00 0.00 59.36 59.42 3d2r h GLU 71 Cb 0.53 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.82 3d2r h GLU 71 CO 0.03 0.79 0.77 0.82 -0.73 0.00 0.00 179.01 180.69 3d2r h ILE 72 N 0.07 0.36 0.00 2.32 2.04 -0.80 -1.55 117.51 119.95 3d2r h ILE 72 Ca 0.03 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3d2r h ILE 72 Cb 0.71 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3d2r h ILE 72 CO 0.04 0.04 0.00 0.47 0.00 0.00 0.00 178.15 178.71 3d2r n ASP 73 N -4.59 0.53 0.02 1.72 9.92 -0.98 -2.19 116.55 120.98 3d2r n ASP 73 Ca 0.30 0.60 0.12 0.00 -0.53 0.00 0.00 54.79 55.28 3d2r n ASP 73 Cb 1.14 -0.72 0.32 0.00 -0.64 0.00 0.00 41.12 41.22 3d2r n ASP 73 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3d2r n ILE 74 N -2.05 0.11 -1.13 0.53 2.08 -0.58 -4.96 119.36 113.36 3d2r n ILE 74 Ca 0.04 -0.07 -0.31 0.00 0.56 0.00 0.00 62.75 62.97 3d2r n ILE 74 Cb 0.28 -0.04 0.12 0.00 -0.75 0.00 0.00 39.64 39.24 3d2r n ILE 74 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3d2r s LEU 75 N -3.34 2.84 0.28 1.39 1.43 -0.93 -4.94 118.68 115.41 3d2r s LEU 75 Ca 0.11 1.84 -0.28 0.00 -1.03 0.00 0.00 54.13 54.76 3d2r s LEU 75 Cb 0.17 -4.42 -0.14 0.00 0.03 0.00 0.00 46.19 41.83 3d2r s LEU 75 CO 0.66 -2.38 1.00 -2.65 0.23 0.00 0.00 176.35 173.22 3d2r n PRO 76 N -3.74 1.31 -0.15 1.29 -0.02 -1.26 -4.72 135.00 127.70 3d2r n PRO 76 Ca 0.09 0.46 0.05 0.00 -2.02 0.00 0.00 63.50 62.08 3d2r n PRO 76 Cb 0.53 -1.82 0.35 0.00 -0.02 0.00 0.00 33.50 32.54 3d2r n PRO 76 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3d2r h THR 77 N 1.98 1.06 0.00 3.45 2.02 -1.95 -1.00 112.91 118.47 3d2r h THR 77 Ca -0.39 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.53 3d2r h THR 77 Cb 1.34 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3d2r h THR 77 CO 0.61 0.14 0.00 1.56 0.37 0.00 0.00 175.52 178.20 3d2r h GLN 78 N 0.76 0.00 0.04 6.66 1.08 -1.98 -1.60 115.11 120.07 3d2r h GLN 78 Ca 0.28 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.34 3d2r h GLN 78 Cb 0.15 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3d2r h GLN 78 CO -0.08 0.00 -0.73 1.25 -0.95 0.00 0.00 178.83 178.31 3d2r h LEU 79 N 0.00 0.13 -1.16 1.46 5.85 -1.56 -3.28 115.31 116.74 3d2r h LEU 79 Ca 0.00 -0.82 0.11 0.00 0.84 0.00 0.00 57.88 58.01 3d2r h LEU 79 Cb 0.60 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 3d2r h LEU 79 CO 0.00 1.31 0.59 0.58 -0.34 0.00 0.00 178.44 180.58 3d2r h VAL 80 N -0.79 0.93 0.00 1.05 2.07 -1.28 -1.10 116.25 117.13 3d2r h VAL 80 Ca -0.18 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3d2r h VAL 80 Cb 1.31 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3d2r h VAL 80 CO -0.03 0.16 0.00 0.59 0.02 0.00 0.00 177.57 178.31 3d2r n ASN 81 N -4.56 0.00 -4.70 0.57 3.02 -0.61 -3.62 115.26 105.37 3d2r n ASN 81 Ca 0.17 0.36 -0.34 0.00 -0.03 0.00 0.00 54.58 54.74 3d2r n ASN 81 Cb 0.35 -0.45 0.12 0.00 -0.61 0.00 0.00 39.78 39.18 3d2r n ASN 81 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3d2r s THR 82 N -2.90 2.08 0.35 3.41 -4.23 -0.42 -4.79 115.64 109.14 3d2r s THR 82 Ca 0.16 0.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.77 3d2r s THR 82 Cb 0.17 -2.54 0.13 0.00 1.34 0.00 0.00 72.50 71.60 3d2r s THR 82 CO 0.46 -0.02 1.85 0.77 -0.54 0.00 0.00 174.62 177.14 3d2r h SER 83 N -0.64 0.30 -0.26 3.99 4.64 -1.89 -1.81 113.55 117.89 3d2r h SER 83 Ca -0.47 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 60.75 3d2r h SER 83 Cb 1.30 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3d2r h SER 83 CO 0.47 0.49 0.06 0.28 -0.87 0.00 0.00 176.83 177.27 3d2r h SER 84 N 0.29 0.40 -0.31 4.97 0.02 -1.88 0.87 113.55 117.91 3d2r h SER 84 Ca 0.05 -0.23 -0.17 0.00 -0.84 0.00 0.00 61.79 60.61 3d2r h SER 84 Cb 0.47 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 3d2r h SER 84 CO 0.03 0.53 -0.46 0.58 -1.14 0.00 0.00 176.83 176.37 3d2r h VAL 85 N 0.25 1.28 -0.75 2.27 2.07 -1.76 -1.93 116.25 117.68 3d2r h VAL 85 Ca 0.08 -1.64 0.08 0.00 0.82 0.00 0.00 66.70 66.04 3d2r h VAL 85 Cb 0.28 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 3d2r h VAL 85 CO 0.00 0.54 0.42 1.56 0.02 0.00 0.00 177.57 180.10 3d2r h GLN 86 N 0.65 0.71 -0.05 1.57 1.08 -1.25 0.15 115.11 117.97 3d2r h GLN 86 Ca 0.03 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.23 3d2r h GLN 86 Cb 1.06 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 28.28 3d2r h GLN 86 CO 0.11 0.47 -0.27 -0.07 -0.95 0.00 0.00 178.83 178.11 3d2r h LEU 87 N 0.73 -0.82 -0.64 1.46 4.07 -0.64 -1.23 115.31 118.24 3d2r h LEU 87 Ca 0.35 0.12 0.04 0.00 0.08 0.00 0.00 57.88 58.47 3d2r h LEU 87 Cb 0.28 0.34 -0.05 0.00 1.08 0.00 0.00 40.66 42.31 3d2r h LEU 87 CO -0.22 -0.33 0.37 0.58 -1.08 0.00 0.00 178.44 177.76 3d2r h VAL 88 N -0.39 1.02 -0.48 1.22 2.07 -0.65 -0.79 116.25 118.26 3d2r h VAL 88 Ca 0.08 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3d2r h VAL 88 Cb 0.50 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3d2r h VAL 88 CO -0.27 0.13 0.07 0.50 0.02 0.00 0.00 177.57 178.02 3d2r h LYS 89 N 0.71 0.80 -0.62 1.57 3.64 -0.60 -1.37 116.57 120.70 3d2r h LYS 89 Ca 0.27 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3d2r h LYS 89 Cb 0.11 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3d2r h LYS 89 CO -0.15 0.81 0.12 0.66 -2.27 0.00 0.00 179.45 178.63 3d2r h SER 90 N 0.67 0.93 0.46 4.20 4.64 -0.76 -1.17 113.55 122.52 3d2r h SER 90 Ca 0.15 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3d2r h SER 90 Cb 0.40 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3d2r h SER 90 CO 0.01 0.92 -0.22 -0.50 -0.87 0.00 0.00 176.83 176.17 3d2r h TRP 91 N 0.93 -0.57 -0.96 4.77 6.55 -0.79 -0.87 115.95 125.01 3d2r h TRP 91 Ca 0.19 -0.01 0.14 0.00 0.95 0.00 0.00 58.89 60.16 3d2r h TRP 91 Cb 0.37 0.19 -0.09 0.00 -0.86 0.00 0.00 29.16 28.77 3d2r h TRP 91 CO 0.02 -0.31 0.58 1.88 -1.05 0.00 0.00 178.44 179.57 3d2r h TYR 92 N -0.72 1.04 -0.25 0.49 -1.99 -1.24 -0.47 116.97 113.84 3d2r h TYR 92 Ca -0.06 0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.57 3d2r h TYR 92 Cb 0.52 -0.32 -0.00 0.00 2.00 0.00 0.00 36.73 38.93 3d2r h TYR 92 CO -0.02 0.36 -0.34 0.82 -0.00 0.00 0.00 178.16 178.97 3d2r h ILE 93 N 0.87 1.31 -0.80 -2.88 2.04 -1.11 -1.06 117.51 115.89 3d2r h ILE 93 Ca 0.50 -1.53 0.01 0.00 1.00 0.00 0.00 64.86 64.84 3d2r h ILE 93 Cb 0.58 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 3d2r h ILE 93 CO -0.30 0.48 0.53 -0.61 0.00 0.00 0.00 178.15 178.25 3d2r h GLN 94 N 0.40 1.04 -0.58 2.37 5.75 -0.78 -1.49 115.11 121.81 3d2r h GLN 94 Ca 0.03 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.38 3d2r h GLN 94 Cb 0.93 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 3d2r h GLN 94 CO 0.08 0.69 0.01 0.77 -2.65 0.00 0.00 178.83 177.73 3d2r h SER 95 N 1.07 1.00 -0.75 -0.69 0.02 -1.00 -0.22 113.55 112.98 3d2r h SER 95 Ca 0.30 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3d2r h SER 95 Cb -0.10 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.14 3d2r h SER 95 CO -0.07 1.05 0.32 0.25 -1.14 0.00 0.00 176.83 177.24 3d2r h LEU 96 N 0.91 1.02 0.11 5.07 6.46 -0.92 -1.55 115.31 126.40 3d2r h LEU 96 Ca 0.17 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 3d2r h LEU 96 Cb 0.54 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 3d2r h LEU 96 CO 0.03 0.90 -0.05 0.24 -0.62 0.00 0.00 178.44 178.94 3d2r h MET 97 N 1.08 -0.14 -1.04 1.25 2.86 -0.95 -0.68 114.93 117.32 3d2r h MET 97 Ca 0.25 0.01 0.31 0.00 -2.06 0.00 0.00 59.70 58.21 3d2r h MET 97 Cb 0.18 0.03 -0.13 0.00 0.06 0.00 0.00 31.60 31.74 3d2r h MET 97 CO -0.02 0.12 0.62 -0.44 1.06 0.00 0.00 176.91 178.24 3d2r h ASP 98 N -0.38 0.52 0.71 1.22 3.32 -0.94 -2.04 116.42 118.84 3d2r h ASP 98 Ca -0.01 0.16 -0.26 0.00 0.02 0.00 0.00 57.03 56.93 3d2r h ASP 98 Cb 0.32 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3d2r h ASP 98 CO 0.02 -0.05 -1.29 -0.07 -1.72 0.00 0.00 179.24 176.13 3d2r h LEU 99 N 0.38 0.18 -0.91 1.55 3.38 -0.88 -3.22 115.31 115.78 3d2r h LEU 99 Ca 0.70 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 58.35 3d2r h LEU 99 Cb 1.62 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 3d2r h LEU 99 CO -0.51 1.18 -0.50 0.58 0.09 0.00 0.00 178.44 179.27 3d2r h VAL 100 N 0.03 1.23 -0.64 1.22 2.07 -0.43 -2.60 116.25 117.13 3d2r h VAL 100 Ca -0.14 -1.79 0.15 0.00 0.82 0.00 0.00 66.70 65.75 3d2r h VAL 100 Cb 1.91 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 33.64 3d2r h VAL 100 CO 0.14 0.49 0.44 -0.33 0.02 0.00 0.00 177.57 178.34 3d2r h GLU 101 N 0.00 0.21 0.00 1.57 5.08 -1.46 -0.73 114.58 119.25 3d2r h GLU 101 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3d2r h GLU 101 Cb 0.96 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3d2r h GLU 101 CO 0.07 0.14 0.00 1.19 -1.00 0.00 0.00 179.01 179.40 3d2r n PHE 102 N -4.43 0.00 0.32 4.33 3.01 -0.98 -2.67 117.46 117.04 3d2r n PHE 102 Ca 0.12 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.74 3d2r n PHE 102 Cb 0.56 -0.44 0.66 0.00 -0.01 0.00 0.00 39.48 40.24 3d2r n PHE 102 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3d2r h HIS 103 N 0.00 0.00 -0.01 1.38 3.86 -1.29 -2.57 115.15 116.52 3d2r h HIS 103 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3d2r h HIS 103 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3d2r h HIS 103 CO 0.00 0.00 -0.02 -0.85 0.86 0.00 0.00 177.93 177.92 3d2r n GLU 104 N -2.78 1.47 -3.98 2.45 0.28 -1.09 -4.92 120.64 112.07 3d2r n GLU 104 Ca 0.01 -0.74 -0.33 0.00 -0.16 0.00 0.00 57.16 55.94 3d2r n GLU 104 Cb 0.26 -1.48 -0.06 0.00 1.43 0.00 0.00 31.44 31.58 3d2r n GLU 104 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3d2r s LYS 105 N -2.04 3.27 0.31 3.44 -0.14 -0.97 -5.09 119.74 118.51 3d2r s LYS 105 Ca 0.39 -0.41 -0.28 0.00 -1.36 0.00 0.00 55.97 54.31 3d2r s LYS 105 Cb 0.21 -2.99 -0.09 0.00 -1.68 0.00 0.00 37.83 33.28 3d2r s LYS 105 CO 0.35 0.66 1.11 0.45 -0.76 0.00 0.00 175.35 177.16 3d2r s SER 106 N -1.91 7.11 0.00 2.83 0.15 -1.26 -4.93 113.70 115.69 3d2r s SER 106 Ca 0.26 2.28 0.09 0.00 0.70 0.00 0.00 55.95 59.28 3d2r s SER 106 Cb -0.12 -2.62 0.43 0.00 -1.71 0.00 0.00 66.02 62.00 3d2r s SER 106 CO 0.17 -0.26 1.20 -2.65 1.20 0.00 0.00 173.24 172.91 3d2r n PRO 107 N 0.92 0.09 0.00 5.44 -0.02 -1.26 -1.73 135.00 138.43 3d2r n PRO 107 Ca 0.00 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.85 3d2r n PRO 107 Cb 0.45 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.65 3d2r n PRO 107 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3d2r n ASP 108 N -1.35 2.11 -4.62 2.55 8.00 -1.26 -4.70 116.55 117.29 3d2r n ASP 108 Ca 0.04 -1.59 -0.42 0.00 0.71 0.00 0.00 54.79 53.52 3d2r n ASP 108 Cb 0.08 0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.28 3d2r n ASP 108 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3d2r s ASP 109 N -2.20 6.73 0.14 -2.24 -1.08 -0.71 -4.93 116.67 112.38 3d2r s ASP 109 Ca 0.27 0.73 0.05 0.00 -0.52 0.00 0.00 52.55 53.08 3d2r s ASP 109 Cb 0.20 -2.45 -0.10 0.00 -1.46 0.00 0.00 42.92 39.11 3d2r s ASP 109 CO 0.41 -0.72 1.33 1.56 0.52 0.00 0.00 175.17 178.27 3d2r h GLN 110 N 8.18 0.08 -0.62 4.34 1.08 -1.89 -1.48 115.11 124.80 3d2r h GLN 110 Ca -0.23 -0.11 0.03 0.00 -1.45 0.00 0.00 58.65 56.89 3d2r h GLN 110 Cb 1.08 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.51 3d2r h GLN 110 CO 0.94 0.97 0.37 -0.22 -0.95 0.00 0.00 178.83 179.93 3d2r h LYS 111 N 0.03 0.70 -0.25 1.46 3.64 -1.98 -1.34 116.57 118.84 3d2r h LYS 111 Ca -0.03 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3d2r h LYS 111 Cb 1.65 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 3d2r h LYS 111 CO 0.13 0.47 0.15 0.00 -2.27 0.00 0.00 179.45 177.93 3d2r h ALA 112 N 1.28 0.32 -0.78 5.00 0.00 -1.72 0.34 119.26 123.70 3d2r h ALA 112 Ca 0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3d2r h ALA 112 Cb 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3d2r h ALA 112 CO -0.11 -0.17 0.48 -0.07 0.00 0.00 0.00 179.25 179.39 3d2r h LEU 113 N 0.30 0.92 -0.15 0.00 3.38 -1.13 0.20 115.31 118.83 3d2r h LEU 113 Ca 0.09 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3d2r h LEU 113 Cb 0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3d2r h LEU 113 CO -0.02 0.69 -0.08 -1.28 0.09 0.00 0.00 178.44 177.84 3d2r h SER 114 N 1.06 0.33 -0.32 -0.43 0.87 -0.92 -2.53 113.55 111.61 3d2r h SER 114 Ca 0.28 -0.43 0.06 0.00 -1.23 0.00 0.00 61.79 60.48 3d2r h SER 114 Cb -0.07 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 3d2r h SER 114 CO -0.06 0.69 0.22 0.44 -0.53 0.00 0.00 176.83 177.59 3d2r h ASP 115 N -0.02 0.13 -0.18 6.23 3.32 0.01 -2.56 116.42 123.35 3d2r h ASP 115 Ca 0.03 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 3d2r h ASP 115 Cb 0.57 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 3d2r h ASP 115 CO 0.02 0.09 -0.25 0.15 -1.72 0.00 0.00 179.24 177.53 3d2r h PHE 116 N 0.15 0.60 -0.34 4.55 3.57 -0.38 -0.08 116.94 125.02 3d2r h PHE 116 Ca 0.15 -0.20 0.07 0.00 3.53 0.00 0.00 57.97 61.52 3d2r h PHE 116 Cb 0.39 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.94 3d2r h PHE 116 CO -0.00 0.89 -0.13 0.28 -2.23 0.00 0.00 178.31 177.12 3d2r h VAL 117 N 0.14 0.57 -1.01 1.41 2.07 -1.25 -0.49 116.25 117.70 3d2r h VAL 117 Ca 0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.61 3d2r h VAL 117 Cb 0.82 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 3d2r h VAL 117 CO 0.06 0.00 0.65 0.44 0.02 0.00 0.00 177.57 178.74 3d2r h ASP 118 N -0.06 1.03 -0.35 0.57 3.32 -1.35 -1.86 116.42 117.72 3d2r h ASP 118 Ca 0.17 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 3d2r h ASP 118 Cb 0.32 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3d2r h ASP 118 CO -0.38 0.65 0.01 0.74 -1.72 0.00 0.00 179.24 178.54 3d2r h THR 119 N 1.16 1.26 -0.94 0.35 2.02 -0.62 -1.67 112.91 114.47 3d2r h THR 119 Ca 0.44 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 3d2r h THR 119 Cb 0.20 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 3d2r h THR 119 CO -0.18 0.32 0.56 -0.07 0.37 0.00 0.00 175.52 176.51 3d2r h LEU 120 N 0.43 1.14 -0.85 2.58 3.38 -0.84 0.22 115.31 121.38 3d2r h LEU 120 Ca 0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3d2r h LEU 120 Cb 0.44 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3d2r h LEU 120 CO 0.02 0.88 0.36 0.40 0.09 0.00 0.00 178.44 180.18 3d2r h ILE 121 N 1.31 1.26 -0.45 1.22 2.04 -1.19 0.85 117.51 122.55 3d2r h ILE 121 Ca 0.34 -0.78 -0.10 0.00 1.00 0.00 0.00 64.86 65.32 3d2r h ILE 121 Cb -0.04 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 3d2r h ILE 121 CO -0.06 0.32 -0.13 0.50 0.00 0.00 0.00 178.15 178.79 3d2r h LYS 122 N 1.17 0.88 -0.19 2.37 3.64 -0.76 -1.25 116.57 122.44 3d2r h LYS 122 Ca 0.28 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3d2r h LYS 122 Cb 0.17 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3d2r h LYS 122 CO -0.03 0.99 0.08 0.28 -2.27 0.00 0.00 179.45 178.51 3d2r h VAL 123 N 0.72 1.15 -0.63 2.00 2.07 -0.76 -0.33 116.25 120.46 3d2r h VAL 123 Ca 0.11 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.27 3d2r h VAL 123 Cb 0.67 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 3d2r h VAL 123 CO 0.05 0.14 0.33 -0.09 0.02 0.00 0.00 177.57 178.01 3d2r h ARG 124 N 0.17 0.58 -0.47 1.57 2.43 -0.71 -0.58 114.38 117.37 3d2r h ARG 124 Ca 0.06 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3d2r h ARG 124 Cb 0.14 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3d2r h ARG 124 CO -0.01 0.38 0.22 -0.91 -1.51 0.00 0.00 179.97 178.14 3d2r h ASN 125 N 0.59 0.62 -0.85 -3.80 2.35 -1.09 -1.52 115.58 111.89 3d2r h ASN 125 Ca 0.29 -0.14 0.04 0.00 -0.55 0.00 0.00 56.30 55.95 3d2r h ASN 125 Cb 0.24 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 3d2r h ASN 125 CO -0.21 0.58 0.56 -0.09 -1.65 0.00 0.00 177.43 176.62 3d2r h ARG 126 N 0.61 0.99 -0.01 0.81 2.43 -0.42 -2.15 114.38 116.64 3d2r h ARG 126 Ca 0.16 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3d2r h ARG 126 Cb 0.14 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3d2r h ARG 126 CO -0.02 0.65 -0.12 0.72 -1.51 0.00 0.00 179.97 179.69 3d2r n HIS 127 N -4.46 0.00 -0.33 2.20 8.25 -0.28 -4.35 115.22 116.25 3d2r n HIS 127 Ca 0.12 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.74 3d2r n HIS 127 Cb 0.14 -0.06 0.40 0.00 1.12 0.00 0.00 29.99 31.59 3d2r n HIS 127 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3d2r h HIS 128 N 1.74 0.90 -0.54 4.41 6.17 -0.58 -0.73 115.15 126.51 3d2r h HIS 128 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 3d2r h HIS 128 Cb 0.50 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.16 3d2r h HIS 128 CO 0.00 0.16 0.00 0.09 0.71 0.00 0.00 177.93 178.89 3d2r n ASN 129 N -4.72 4.82 -0.18 3.26 3.02 -1.26 -4.63 115.26 115.57 3d2r n ASN 129 Ca 0.24 -2.64 -0.04 0.00 -0.03 0.00 0.00 54.58 52.11 3d2r n ASN 129 Cb 0.69 -0.62 0.06 0.00 -0.61 0.00 0.00 39.78 39.30 3d2r n ASN 129 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3d2r h VAL 130 N 3.60 0.96 -0.03 2.41 2.07 -1.42 -2.17 116.25 121.67 3d2r h VAL 130 Ca 0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3d2r h VAL 130 Cb 1.60 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3d2r h VAL 130 CO 0.34 0.10 -0.00 0.58 0.02 0.00 0.00 177.57 178.60 3d2r h VAL 131 N 0.53 1.28 -0.70 2.57 2.07 -1.82 0.14 116.25 120.32 3d2r h VAL 131 Ca 0.23 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.95 3d2r h VAL 131 Cb 0.14 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 3d2r h VAL 131 CO -0.16 0.23 0.46 -0.65 0.02 0.00 0.00 177.57 177.47 3d2r h PRO 132 N -0.29 0.78 -0.24 1.57 0.11 -1.91 -0.24 132.00 131.80 3d2r h PRO 132 Ca 0.01 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 3d2r h PRO 132 Cb 0.37 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 3d2r h PRO 132 CO 0.00 0.52 -0.29 1.15 -0.21 0.00 0.00 178.00 179.17 3d2r h THR 133 N 0.81 1.32 -0.01 -1.15 2.02 -1.03 0.50 112.91 115.37 3d2r h THR 133 Ca 0.29 -1.48 -0.00 0.00 0.77 0.00 0.00 66.41 65.99 3d2r h THR 133 Cb 0.12 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3d2r h THR 133 CO -0.08 0.46 0.00 -0.03 0.37 0.00 0.00 175.52 176.24 3d2r h MET 134 N 0.33 0.01 -0.73 6.66 1.85 -0.57 0.15 114.93 122.63 3d2r h MET 134 Ca 0.03 -0.00 0.11 0.00 -0.61 0.00 0.00 59.70 59.23 3d2r h MET 134 Cb 0.87 -0.00 -0.08 0.00 0.43 0.00 0.00 31.60 32.81 3d2r h MET 134 CO 0.07 0.09 0.33 0.00 -0.40 0.00 0.00 176.91 177.01 3d2r h ALA 135 N 0.91 1.01 -0.42 0.39 0.00 -0.92 -0.62 119.26 119.62 3d2r h ALA 135 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3d2r h ALA 135 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3d2r h ALA 135 CO -0.00 -0.12 0.22 0.37 0.00 0.00 0.00 179.25 179.73 3d2r h GLN 136 N 0.54 0.59 -0.69 0.00 5.75 0.59 -2.31 115.11 119.58 3d2r h GLN 136 Ca 0.38 -0.07 0.15 0.00 -0.15 0.00 0.00 58.65 58.95 3d2r h GLN 136 Cb 0.48 -0.11 -0.11 0.00 1.07 0.00 0.00 27.48 28.80 3d2r h GLN 136 CO -0.32 0.48 0.12 0.78 -2.65 0.00 0.00 178.83 177.24 3d2r h GLY 137 N 0.54 0.90 0.86 2.39 0.00 0.29 -0.46 103.07 107.59 3d2r h GLY 137 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.52 3d2r h GLY 137 CO -0.02 -0.20 0.51 -2.22 0.00 0.00 0.00 176.54 174.61 3d2r h ILE 138 N 0.22 1.11 -0.27 2.60 1.08 -0.87 -1.54 117.51 119.83 3d2r h ILE 138 Ca 0.38 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.51 3d2r h ILE 138 Cb 0.64 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 3d2r h ILE 138 CO -0.51 0.18 0.15 0.40 -0.69 0.00 0.00 178.15 177.68 3d2r h ILE 139 N 1.00 1.12 -1.00 -0.67 2.04 -0.72 -1.04 117.51 118.22 3d2r h ILE 139 Ca 0.33 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.89 3d2r h ILE 139 Cb 0.03 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 3d2r h ILE 139 CO -0.12 0.12 0.66 -0.33 0.00 0.00 0.00 178.15 178.48 3d2r h GLU 140 N 0.33 1.33 0.07 2.37 5.08 -0.83 0.13 114.58 123.06 3d2r h GLU 140 Ca 0.10 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3d2r h GLU 140 Cb 0.05 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.00 3d2r h GLU 140 CO -0.02 0.88 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.92 3d2r h TYR 141 N 1.36 -0.09 0.00 4.33 3.20 -1.19 0.17 116.97 124.76 3d2r h TYR 141 Ca 0.37 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.14 3d2r h TYR 141 Cb -0.15 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3d2r h TYR 141 CO 0.00 -0.04 -0.47 0.87 -1.64 0.00 0.00 178.16 176.89 3d2r h LYS 142 N -0.11 0.00 0.10 1.82 1.57 -0.77 0.46 116.57 119.63 3d2r h LYS 142 Ca -0.01 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.51 3d2r h LYS 142 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3d2r h LYS 142 CO 0.02 0.47 -1.17 -0.44 -0.57 0.00 0.00 179.45 177.75 3d2r h ASP 143 N 0.00 0.36 0.26 0.86 5.19 -0.98 -3.32 116.42 118.79 3d2r h ASP 143 Ca -0.00 -0.38 -0.18 0.00 -0.62 0.00 0.00 57.03 55.85 3d2r h ASP 143 Cb 1.00 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.39 3d2r h ASP 143 CO 0.06 1.28 -0.72 0.00 -3.12 0.00 0.00 179.24 176.74 3d2r h ALA 144 N 0.67 0.61 -3.00 3.45 0.00 -0.18 -3.51 119.26 117.30 3d2r h ALA 144 Ca -0.11 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3d2r h ALA 144 Cb 1.89 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3d2r h ALA 144 CO 0.19 0.76 0.00 0.00 0.00 0.00 0.00 179.25 180.20 3d2r n ASP 148 N 0.00 0.00 0.24 0.00 5.75 -1.26 -4.57 116.55 116.71 3d2r n ASP 148 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 54.93 3d2r n ASP 148 Cb 0.00 0.00 0.49 0.00 -1.03 0.00 0.00 41.12 40.58 3d2r n ASP 148 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 3d2r h PRO 149 N 0.00 0.00 0.02 0.11 0.13 -2.05 -1.08 132.00 129.13 3d2r h PRO 149 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3d2r h PRO 149 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3d2r h PRO 149 CO 0.00 0.00 -0.01 0.28 -0.23 0.00 0.00 178.00 178.04 3d2r h VAL 150 N 0.00 1.46 -0.80 1.56 2.07 -2.05 0.28 116.25 118.78 3d2r h VAL 150 Ca 0.00 -1.56 0.12 0.00 0.82 0.00 0.00 66.70 66.08 3d2r h VAL 150 Cb 0.66 2.49 -0.08 0.00 -1.52 0.00 0.00 31.29 32.85 3d2r h VAL 150 CO 0.00 0.39 0.41 0.74 0.02 0.00 0.00 177.57 179.14 3d2r h THR 151 N -0.71 0.81 -0.87 2.57 2.02 -1.88 -1.33 112.91 113.52 3d2r h THR 151 Ca -0.00 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 66.98 3d2r h THR 151 Cb 0.67 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 3d2r h THR 151 CO 0.00 0.12 0.57 -1.13 0.37 0.00 0.00 175.52 175.46 3d2r h ASN 152 N 0.65 0.96 -0.54 4.18 -1.24 -1.02 0.26 115.58 118.83 3d2r h ASN 152 Ca 0.41 -0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.32 3d2r h ASN 152 Cb 0.49 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 3d2r h ASN 152 CO -0.31 0.67 0.04 1.56 -1.29 0.00 0.00 177.43 178.10 3d2r h GLN 153 N 1.12 0.96 -0.39 6.67 4.20 -0.21 -2.09 115.11 125.37 3d2r h GLN 153 Ca 0.34 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3d2r h GLN 153 Cb -0.03 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3d2r h GLN 153 CO -0.09 0.92 0.04 -0.91 -0.67 0.00 0.00 178.83 178.12 3d2r h ASN 154 N 0.90 0.56 -0.31 1.46 2.35 0.03 -1.61 115.58 118.97 3d2r h ASN 154 Ca 0.17 -0.10 -0.15 0.00 -0.55 0.00 0.00 56.30 55.67 3d2r h ASN 154 Cb 0.47 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3d2r h ASN 154 CO 0.02 0.61 -0.37 -0.07 -1.65 0.00 0.00 177.43 175.97 3d2r h LEU 155 N 0.58 0.91 -0.41 1.61 3.38 -0.24 -0.41 115.31 120.73 3d2r h LEU 155 Ca 0.13 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3d2r h LEU 155 Cb 0.31 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3d2r h LEU 155 CO 0.01 1.17 0.20 -0.61 0.09 0.00 0.00 178.44 179.30 3d2r h GLN 156 N 0.70 0.58 -0.52 1.13 5.75 -1.09 0.52 115.11 122.18 3d2r h GLN 156 Ca 0.06 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 3d2r h GLN 156 Cb 0.94 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.36 3d2r h GLN 156 CO 0.09 0.50 0.22 -0.92 -2.65 0.00 0.00 178.83 176.07 3d2r h TYR 157 N 0.52 0.78 -0.57 3.99 3.20 -1.15 -0.77 116.97 122.98 3d2r h TYR 157 Ca 0.14 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3d2r h TYR 157 Cb 0.10 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3d2r h TYR 157 CO -0.01 0.64 0.20 0.35 -1.64 0.00 0.00 178.16 177.69 3d2r h PHE 158 N 0.70 0.89 -0.44 -3.82 3.57 -0.85 -2.50 116.94 114.50 3d2r h PHE 158 Ca 0.18 -0.08 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 3d2r h PHE 158 Cb 0.17 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3d2r h PHE 158 CO 0.00 0.73 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.52 3d2r h LEU 159 N 0.79 0.96 -0.65 0.59 3.38 -0.55 0.30 115.31 120.12 3d2r h LEU 159 Ca 0.19 -0.41 0.12 0.00 0.09 0.00 0.00 57.88 57.87 3d2r h LEU 159 Cb 0.24 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 3d2r h LEU 159 CO -0.01 1.16 0.20 0.44 0.09 0.00 0.00 178.44 180.32 3d2r h ASP 160 N 0.77 0.13 -0.11 -0.43 3.32 -1.05 -0.78 116.42 118.27 3d2r h ASP 160 Ca 0.10 0.10 -0.22 0.00 0.02 0.00 0.00 57.03 57.03 3d2r h ASP 160 Cb 0.80 0.11 0.01 0.00 0.22 0.00 0.00 39.33 40.48 3d2r h ASP 160 CO 0.07 0.06 -0.78 0.03 -1.72 0.00 0.00 179.24 176.90 3d2r h ARG 161 N 0.35 0.72 -0.40 3.56 3.08 -1.12 -1.56 114.38 119.01 3d2r h ARG 161 Ca 0.34 -0.63 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 3d2r h ARG 161 Cb 0.50 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3d2r h ARG 161 CO -0.38 1.23 0.07 0.35 -1.07 0.00 0.00 179.97 180.17 3d2r h PHE 162 N 0.42 0.71 -0.04 3.04 3.57 -0.12 -0.04 116.94 124.48 3d2r h PHE 162 Ca -0.07 -0.10 -0.21 0.00 3.53 0.00 0.00 57.97 61.13 3d2r h PHE 162 Cb 1.42 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 3d2r h PHE 162 CO 0.10 0.70 -0.84 1.88 -2.23 0.00 0.00 178.31 177.91 3d2r h TYR 163 N 0.52 0.59 -0.71 0.41 0.99 -1.22 -2.28 116.97 115.26 3d2r h TYR 163 Ca 0.12 -0.29 -0.03 0.00 2.00 0.00 0.00 58.73 60.53 3d2r h TYR 163 Cb 0.37 -0.08 -0.03 0.00 1.00 0.00 0.00 36.73 37.99 3d2r h TYR 163 CO 0.03 1.09 0.32 1.98 -0.00 0.00 0.00 178.16 181.57 3d2r h MET 164 N 0.26 1.05 -0.46 4.88 4.05 -1.10 0.54 114.93 124.15 3d2r h MET 164 Ca -0.06 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.19 3d2r h MET 164 Cb 1.45 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 32.05 3d2r h MET 164 CO 0.15 0.84 0.28 -0.97 0.23 0.00 0.00 176.91 177.44 3d2r h ASN 165 N 1.01 0.54 -0.56 1.39 -0.73 -0.89 -1.17 115.58 115.17 3d2r h ASN 165 Ca 0.24 -0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.34 3d2r h ASN 165 Cb 0.16 -0.14 -0.03 0.00 0.27 0.00 0.00 38.32 38.59 3d2r h ASN 165 CO -0.03 0.42 0.25 -0.09 -0.37 0.00 0.00 177.43 177.61 3d2r h ARG 166 N 0.61 0.82 -0.71 6.67 2.43 -1.20 -1.10 114.38 121.90 3d2r h ARG 166 Ca 0.16 -0.13 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 3d2r h ARG 166 Cb -0.03 -0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 29.30 3d2r h ARG 166 CO -0.03 0.69 0.32 0.82 -1.51 0.00 0.00 179.97 180.26 3d2r h ILE 167 N 0.76 0.78 -0.24 1.20 2.04 -0.41 -0.18 117.51 121.47 3d2r h ILE 167 Ca 0.19 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 3d2r h ILE 167 Cb 0.16 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 3d2r h ILE 167 CO -0.02 0.10 0.02 0.77 0.00 0.00 0.00 178.15 179.01 3d2r h SER 168 N 0.53 0.40 -0.02 1.72 4.64 -1.00 -0.60 113.55 119.21 3d2r h SER 168 Ca 0.36 -0.29 -0.18 0.00 -0.47 0.00 0.00 61.79 61.21 3d2r h SER 168 Cb 0.44 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3d2r h SER 168 CO -0.31 0.59 -0.62 0.71 -0.87 0.00 0.00 176.83 176.33 3d2r h THR 169 N 0.20 1.31 -0.84 2.95 1.35 -1.07 -1.83 112.91 114.98 3d2r h THR 169 Ca 0.07 -1.88 -0.04 0.00 -0.55 0.00 0.00 66.41 64.02 3d2r h THR 169 Cb 0.37 1.84 -0.04 0.00 -1.73 0.00 0.00 68.15 68.59 3d2r h THR 169 CO 0.01 0.59 0.39 -0.09 -0.25 0.00 0.00 175.52 176.16 3d2r h ARG 170 N 0.47 1.22 0.35 4.72 2.43 -1.01 -0.98 114.38 121.59 3d2r h ARG 170 Ca -0.01 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 3d2r h ARG 170 Cb 1.20 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3d2r h ARG 170 CO 0.12 0.95 -0.17 1.98 -1.51 0.00 0.00 179.97 181.34 3d2r h MET 171 N 1.21 -0.45 -0.06 0.20 4.05 -0.72 -1.58 114.93 117.57 3d2r h MET 171 Ca 0.29 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 3d2r h MET 171 Cb 0.14 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.04 3d2r h MET 171 CO -0.03 -0.30 0.03 -0.07 0.23 0.00 0.00 176.91 176.76 3d2r h LEU 172 N -0.47 0.05 -0.44 3.39 3.38 -1.21 -2.13 115.31 117.88 3d2r h LEU 172 Ca -0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3d2r h LEU 172 Cb 0.36 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3d2r h LEU 172 CO 0.08 0.04 0.28 0.24 0.09 0.00 0.00 178.44 179.16 3d2r h MET 173 N 0.06 0.55 -0.60 1.13 2.86 -1.17 -2.73 114.93 115.03 3d2r h MET 173 Ca 0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3d2r h MET 173 Cb 0.00 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3d2r h MET 173 CO -0.01 0.36 0.29 -0.91 1.06 0.00 0.00 176.91 177.69 3d2r h ASN 174 N 0.56 0.76 -0.44 1.22 -0.26 -1.24 -0.85 115.58 115.34 3d2r h ASN 174 Ca 0.17 -0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.80 3d2r h ASN 174 Cb -0.04 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.01 3d2r h ASN 174 CO -0.05 0.65 0.18 1.56 -1.06 0.00 0.00 177.43 178.71 3d2r h GLN 175 N 0.85 0.66 -0.12 0.81 1.08 -1.13 -0.82 115.11 116.43 3d2r h GLN 175 Ca 0.21 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 3d2r h GLN 175 Cb 0.09 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 3d2r h GLN 175 CO -0.03 0.60 0.00 1.25 -0.95 0.00 0.00 178.83 179.70 3d2r h HIS 176 N 0.57 0.23 -0.06 2.96 2.76 -1.20 -1.76 115.15 118.65 3d2r h HIS 176 Ca 0.15 -0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 3d2r h HIS 176 Cb 0.18 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.03 3d2r h HIS 176 CO 0.00 0.45 -0.30 0.82 -1.30 0.00 0.00 177.93 177.60 3d2r h ILE 177 N -0.06 0.33 -0.28 6.26 2.04 -1.16 0.13 117.51 124.78 3d2r h ILE 177 Ca 0.03 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 3d2r h ILE 177 Cb 0.36 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3d2r h ILE 177 CO 0.01 0.00 -0.25 -0.07 0.00 0.00 0.00 178.15 177.84 3d2r h LEU 178 N -0.42 0.54 0.10 1.44 3.38 -1.13 -0.71 115.31 118.51 3d2r h LEU 178 Ca 0.08 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 3d2r h LEU 178 Cb 0.53 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.15 3d2r h LEU 178 CO -0.30 0.78 -0.67 0.40 0.09 0.00 0.00 178.44 178.75 3d2r h ILE 179 N 0.47 1.53 -0.01 1.22 2.04 -1.29 -3.41 117.51 118.07 3d2r h ILE 179 Ca 0.07 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.52 3d2r h ILE 179 Cb 0.69 3.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.86 3d2r h ILE 179 CO 0.05 0.68 -0.81 0.49 0.00 0.00 0.00 178.15 178.56 3d2r n PHE 180 N -4.21 0.00 -2.43 1.37 3.01 0.44 -5.00 117.46 110.65 3d2r n PHE 180 Ca -0.13 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.09 3d2r n PHE 180 Cb 0.75 -0.01 0.14 0.00 -0.01 0.00 0.00 39.48 40.35 3d2r n PHE 180 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3d2r n SER 181 N -1.01 1.02 -3.79 4.37 3.41 -0.27 -5.03 113.62 112.32 3d2r n SER 181 Ca 0.06 -1.96 -0.30 0.00 -0.26 0.00 0.00 58.87 56.41 3d2r n SER 181 Cb 0.38 -0.73 -0.14 0.00 -0.26 0.00 0.00 64.21 63.45 3d2r n SER 181 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3d2r s ASP 182 N -5.22 3.99 0.00 4.04 1.01 -1.26 -5.00 116.67 114.22 3d2r s ASP 182 Ca 0.68 -2.30 0.00 0.00 0.71 0.00 0.00 52.55 51.64 3d2r s ASP 182 Cb -0.03 -1.13 0.00 0.00 1.01 0.00 0.00 42.92 42.77 3d2r s ASP 182 CO 0.46 -0.33 0.00 -0.24 0.21 0.00 0.00 175.17 175.27 3d2r n SER 189 N 4.00 0.00 -4.78 0.27 2.88 -1.26 -5.15 113.62 109.58 3d2r n SER 189 Ca 0.04 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.28 3d2r n SER 189 Cb 0.38 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.92 3d2r n SER 189 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3d2r s HIS 190 N 0.00 2.73 -0.47 0.66 4.02 -1.26 -4.56 115.29 116.40 3d2r s HIS 190 Ca 0.00 1.46 -0.05 0.00 1.02 0.00 0.00 55.06 57.49 3d2r s HIS 190 Cb 0.00 -3.01 0.12 0.00 -1.02 0.00 0.00 32.58 28.67 3d2r s HIS 190 CO 0.00 -1.69 0.30 0.42 1.02 0.00 0.00 174.74 174.79 3d2r s ILE 191 N -2.97 3.71 0.00 0.60 1.09 0.19 -4.95 121.20 118.87 3d2r s ILE 191 Ca 0.60 -2.12 0.00 0.00 -1.10 0.00 0.00 60.65 58.03 3d2r s ILE 191 Cb -0.16 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.76 3d2r s ILE 191 CO 0.56 -0.76 0.00 0.61 -0.10 0.00 0.00 174.94 175.25 3d2r n GLY 192 N 4.51 3.33 0.75 6.18 0.00 -1.26 -1.48 105.19 117.22 3d2r n GLY 192 Ca -0.02 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 45.97 3d2r n GLY 192 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d2r n SER 193 N 6.49 2.24 -4.69 1.61 3.41 -1.26 -4.88 113.62 116.55 3d2r n SER 193 Ca 0.00 -1.85 -0.38 0.00 -0.26 0.00 0.00 58.87 56.39 3d2r n SER 193 Cb 0.00 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 3d2r n SER 193 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3d2r s ILE 194 N -1.63 5.22 -0.31 -1.33 1.01 -0.55 -4.06 121.20 119.54 3d2r s ILE 194 Ca 0.33 0.69 -0.15 0.00 0.00 0.00 0.00 60.65 61.52 3d2r s ILE 194 Cb 0.18 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 3d2r s ILE 194 CO 0.26 0.29 0.38 -0.62 0.00 0.00 0.00 174.94 175.25 3d2r s ASP 195 N 0.88 6.22 0.09 3.58 3.68 0.11 -0.64 116.67 130.58 3d2r s ASP 195 Ca 0.19 -0.01 0.21 0.00 2.13 0.00 0.00 52.55 55.08 3d2r s ASP 195 Cb -0.14 -2.21 0.86 0.00 -1.45 0.00 0.00 42.92 39.98 3d2r s ASP 195 CO 0.07 -0.29 1.66 -0.81 0.13 0.00 0.00 175.17 175.93 3d2r n PRO 196 N 5.40 0.08 -3.09 4.34 -0.04 -1.26 -2.02 135.00 138.40 3d2r n PRO 196 Ca -0.08 0.23 -0.22 0.00 -0.04 0.00 0.00 63.50 63.39 3d2r n PRO 196 Cb 0.50 -1.62 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 3d2r n PRO 196 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3d2r n ASN 197 N -1.76 2.37 -4.66 3.54 3.02 -1.26 -3.86 115.26 112.66 3d2r n ASN 197 Ca 0.04 -3.29 -0.43 0.00 -0.03 0.00 0.00 54.58 50.88 3d2r n ASN 197 Cb 0.25 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 3d2r n ASN 197 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d2r s ASP 199 N 2.86 6.56 0.21 0.00 3.68 -1.26 -2.60 116.67 126.13 3d2r s ASP 199 Ca 0.67 -1.69 -0.09 0.00 2.13 0.00 0.00 52.55 53.57 3d2r s ASP 199 Cb -0.29 -2.52 0.27 0.00 -1.45 0.00 0.00 42.92 38.93 3d2r s ASP 199 CO 0.24 -1.35 1.79 0.58 0.13 0.00 0.00 175.17 176.56 3d2r h VAL 200 N 6.43 0.92 -0.42 1.11 2.07 -1.90 -1.45 116.25 123.01 3d2r h VAL 200 Ca 0.20 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 3d2r h VAL 200 Cb 1.01 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3d2r h VAL 200 CO 1.34 0.12 -0.12 0.58 0.02 0.00 0.00 177.57 179.50 3d2r h VAL 201 N 0.64 1.26 -0.57 2.57 2.07 -1.90 -0.50 116.25 119.83 3d2r h VAL 201 Ca 0.31 -1.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.57 3d2r h VAL 201 Cb 0.25 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3d2r h VAL 201 CO -0.21 0.40 -0.01 0.00 0.02 0.00 0.00 177.57 177.76 3d2r h ALA 202 N 1.18 0.90 -0.40 1.67 0.00 -1.69 -1.71 119.26 119.21 3d2r h ALA 202 Ca 0.12 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3d2r h ALA 202 Cb 0.59 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3d2r h ALA 202 CO 0.04 0.65 -0.09 0.28 0.00 0.00 0.00 179.25 180.12 3d2r h VAL 203 N 0.91 1.25 0.05 0.00 2.07 -0.79 -0.75 116.25 118.98 3d2r h VAL 203 Ca 0.16 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.60 3d2r h VAL 203 Cb 0.55 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3d2r h VAL 203 CO 0.03 0.37 -0.13 0.58 0.02 0.00 0.00 177.57 178.44 3d2r h VAL 204 N 0.64 0.69 -0.77 2.57 2.07 -0.89 -0.50 116.25 120.06 3d2r h VAL 204 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 3d2r h VAL 204 Cb 0.54 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3d2r h VAL 204 CO 0.03 0.00 0.46 1.56 0.02 0.00 0.00 177.57 179.64 3d2r h GLN 205 N -0.25 1.04 0.17 1.57 4.20 -1.08 0.58 115.11 121.34 3d2r h GLN 205 Ca 0.03 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3d2r h GLN 205 Cb 0.28 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3d2r h GLN 205 CO -0.09 0.73 -0.08 0.22 -0.67 0.00 0.00 178.83 178.93 3d2r h ASP 206 N 1.06 -0.19 -0.55 1.46 3.58 -0.91 -1.42 116.42 119.45 3d2r h ASP 206 Ca 0.28 -0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 3d2r h ASP 206 Cb -0.04 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 3d2r h ASP 206 CO -0.05 0.02 0.16 0.00 -2.88 0.00 0.00 179.24 176.49 3d2r h ALA 207 N 0.39 1.18 -0.14 -0.78 0.00 -0.81 -2.13 119.26 116.96 3d2r h ALA 207 Ca -0.02 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3d2r h ALA 207 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3d2r h ALA 207 CO 0.04 0.57 0.03 0.35 0.00 0.00 0.00 179.25 180.24 3d2r h PHE 208 N 0.87 0.06 -0.88 0.00 3.57 -0.78 -2.04 116.94 117.73 3d2r h PHE 208 Ca 0.19 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.73 3d2r h PHE 208 Cb 0.28 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 3d2r h PHE 208 CO 0.02 0.02 0.58 1.49 -2.23 0.00 0.00 178.31 178.20 3d2r h GLU 209 N 0.10 1.11 -0.59 1.11 4.57 -0.84 0.17 114.58 120.20 3d2r h GLU 209 Ca 0.06 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3d2r h GLU 209 Cb 0.05 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 3d2r h GLU 209 CO -0.08 0.73 0.28 0.00 -1.18 0.00 0.00 179.01 178.76 3d2r h SER 211 N 0.81 0.48 -0.67 0.00 0.87 -0.76 -2.98 113.55 111.30 3d2r h SER 211 Ca 0.20 -0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 3d2r h SER 211 Cb 0.13 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 3d2r h SER 211 CO -0.02 0.57 0.44 -0.09 -0.53 0.00 0.00 176.83 177.20 3d2r h ARG 212 N 0.37 0.78 -0.12 2.24 2.43 -0.46 0.11 114.38 119.72 3d2r h ARG 212 Ca 0.10 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3d2r h ARG 212 Cb 0.27 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3d2r h ARG 212 CO -0.00 0.52 -0.04 0.52 -1.51 0.00 0.00 179.97 179.45 3d2r h MET 213 N 0.80 0.24 -0.26 0.20 2.86 -1.24 0.60 114.93 118.14 3d2r h MET 213 Ca 0.26 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 3d2r h MET 213 Cb 0.06 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3d2r h MET 213 CO -0.07 0.56 0.09 -0.07 1.06 0.00 0.00 176.91 178.48 3d2r h LEU 214 N -0.10 0.09 -0.06 1.22 3.38 -1.36 -2.02 115.31 116.46 3d2r h LEU 214 Ca 0.03 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3d2r h LEU 214 Cb 0.48 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3d2r h LEU 214 CO 0.01 0.09 -0.12 0.00 0.09 0.00 0.00 178.44 178.51 3d2r h ASP 216 N -0.18 0.51 -0.44 0.00 3.45 -0.72 0.35 116.42 119.40 3d2r h ASP 216 Ca 0.06 0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.52 3d2r h ASP 216 Cb 0.27 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 3d2r h ASP 216 CO -0.17 0.28 0.01 -0.61 -1.57 0.00 0.00 179.24 177.18 3d2r h GLN 217 N 0.64 0.76 0.06 3.56 4.15 -0.95 -0.96 115.11 122.37 3d2r h GLN 217 Ca 0.38 -0.24 -0.08 0.00 0.77 0.00 0.00 58.65 59.49 3d2r h GLN 217 Cb 0.42 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 28.05 3d2r h GLN 217 CO -0.28 0.83 -0.33 -0.92 -1.93 0.00 0.00 178.83 176.19 3d2r h TYR 218 N 0.61 0.22 -0.01 3.99 3.20 -1.05 -3.39 116.97 120.54 3d2r h TYR 218 Ca 0.13 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3d2r h TYR 218 Cb 0.47 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3d2r h TYR 218 CO 0.04 1.12 -0.76 0.66 -1.64 0.00 0.00 178.16 177.58 3d2r n TYR 219 N -4.41 0.00 -0.52 -3.82 4.01 0.12 -4.97 117.16 107.57 3d2r n TYR 219 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3d2r n TYR 219 Cb 0.62 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 3d2r n TYR 219 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3d2r n LEU 220 N -0.92 0.25 -3.90 7.72 4.77 -0.36 -4.94 117.00 119.61 3d2r n LEU 220 Ca 0.06 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 3d2r n LEU 220 Cb 0.38 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3d2r n LEU 220 CO 0.37 -0.13 0.38 -0.94 -1.33 0.00 0.00 177.39 175.74 3d2r s SER 221 N -2.82 -0.18 -0.01 -1.43 1.04 -1.26 -4.94 113.70 104.09 3d2r s SER 221 Ca 0.00 -0.74 -0.29 0.00 0.48 0.00 0.00 55.95 55.40 3d2r s SER 221 Cb 0.00 0.69 0.08 0.00 0.10 0.00 0.00 66.02 66.89 3d2r s SER 221 CO 0.00 -1.30 0.71 -0.94 0.98 0.00 0.00 173.24 172.69 3d2r s SER 222 N -2.96 -0.59 0.59 7.02 1.04 -1.26 -4.07 113.70 113.47 3d2r s SER 222 Ca 0.15 0.48 -0.17 0.00 0.48 0.00 0.00 55.95 56.89 3d2r s SER 222 Cb -0.04 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 3d2r s SER 222 CO 0.08 -0.66 1.08 -2.84 0.98 0.00 0.00 173.24 171.88 3d2r s PRO 223 N -1.86 3.25 0.59 4.02 0.02 -1.26 -4.96 135.00 134.79 3d2r s PRO 223 Ca -0.06 1.33 -0.07 0.00 0.02 0.00 0.00 61.00 62.21 3d2r s PRO 223 Cb -0.00 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 3d2r s PRO 223 CO 0.03 -0.88 0.93 -1.21 -0.33 0.00 0.00 177.00 175.53 3d2r s GLU 224 N -3.86 3.18 -0.19 5.54 2.02 -1.26 -4.82 118.70 119.31 3d2r s GLU 224 Ca 0.66 0.25 -0.09 0.00 0.02 0.00 0.00 54.97 55.81 3d2r s GLU 224 Cb -0.18 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 3d2r s GLU 224 CO 0.35 -0.61 0.11 -1.17 0.02 0.00 0.00 175.26 173.96 3d2r s LEU 225 N -5.02 4.12 -0.28 1.80 2.96 -1.26 -0.47 118.68 120.54 3d2r s LEU 225 Ca 0.53 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3d2r s LEU 225 Cb -0.11 -2.06 0.05 0.00 0.50 0.00 0.00 46.19 44.58 3d2r s LEU 225 CO 0.48 0.19 -0.06 -0.54 -1.32 0.00 0.00 176.35 175.10 3d2r s LYS 226 N 0.26 2.36 -0.07 1.98 1.02 -0.24 -4.95 119.74 120.12 3d2r s LYS 226 Ca 0.07 -1.29 0.05 0.00 0.02 0.00 0.00 55.97 54.82 3d2r s LYS 226 Cb -0.11 -3.02 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 3d2r s LYS 226 CO -0.01 -0.58 -0.21 -1.17 -0.92 0.00 0.00 175.35 172.46 3d2r s LEU 227 N 1.18 2.29 0.08 3.17 0.20 -1.26 -0.66 118.68 123.69 3d2r s LEU 227 Ca -0.07 -0.42 0.05 0.00 0.69 0.00 0.00 54.13 54.38 3d2r s LEU 227 Cb -0.20 -1.44 -0.03 0.00 -0.43 0.00 0.00 46.19 44.09 3d2r s LEU 227 CO -0.03 0.26 -0.14 -0.89 -0.29 0.00 0.00 176.35 175.26 3d2r s THR 228 N -0.21 1.13 0.01 3.68 2.01 -0.11 -4.98 115.64 117.16 3d2r s THR 228 Ca -0.01 -1.41 -0.01 0.00 0.31 0.00 0.00 61.69 60.56 3d2r s THR 228 Cb -0.13 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 3d2r s THR 228 CO 0.03 -0.29 0.01 0.00 -0.69 0.00 0.00 174.62 173.68 3d2r s GLN 229 N -2.01 0.26 -0.04 4.92 -2.07 -1.26 -1.56 119.66 117.89 3d2r s GLN 229 Ca 0.01 -0.39 -0.01 0.00 -1.82 0.00 0.00 55.36 53.14 3d2r s GLN 229 Cb -0.08 0.10 0.03 0.00 -1.09 0.00 0.00 33.01 31.96 3d2r s GLN 229 CO 0.02 -0.05 0.04 0.08 -1.32 0.00 0.00 175.29 174.06 3d2r s VAL 230 N -1.02 0.02 -0.62 3.63 1.01 0.69 -4.95 120.40 119.17 3d2r s VAL 230 Ca -0.11 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 3d2r s VAL 230 Cb -0.07 -0.23 0.16 0.00 0.00 0.00 0.00 36.38 36.23 3d2r s VAL 230 CO -0.00 0.18 0.57 0.21 0.00 0.00 0.00 175.10 176.06 3d2r s ASN 231 N 1.90 6.31 0.11 3.32 3.84 -1.26 -1.26 114.94 127.89 3d2r s ASN 231 Ca 0.02 -2.08 -0.10 0.00 0.21 0.00 0.00 52.86 50.92 3d2r s ASN 231 Cb -0.12 -2.19 -0.14 0.00 -0.55 0.00 0.00 41.25 38.25 3d2r s ASN 231 CO -0.03 -0.76 1.28 1.23 -2.79 0.00 0.00 177.10 176.03 3d2r h GLY 232 N 8.51 0.70 1.43 1.21 0.00 -0.81 -2.89 103.07 111.22 3d2r h GLY 232 Ca -0.17 -1.11 -0.09 0.00 0.00 0.00 0.00 47.33 45.96 3d2r h GLY 232 CO 0.94 0.99 -0.13 1.70 0.00 0.00 0.00 176.54 180.04 3d2r h LYS 233 N 0.39 0.68 -2.06 4.80 3.64 -1.63 -3.39 116.57 119.00 3d2r h LYS 233 Ca -0.08 -0.22 -0.49 0.00 -1.27 0.00 0.00 60.65 58.58 3d2r h LYS 233 Cb 1.53 -0.06 -0.33 0.00 -0.41 0.00 0.00 32.23 32.96 3d2r h LYS 233 CO 0.17 0.78 -0.87 -0.06 -2.27 0.00 0.00 179.45 177.20 3d2r s PHE 234 N -4.75 0.49 0.27 1.91 0.08 -1.24 -5.05 117.98 109.69 3d2r s PHE 234 Ca -0.09 -1.94 -0.29 0.00 0.12 0.00 0.00 56.93 54.74 3d2r s PHE 234 Cb 0.14 -0.64 -0.14 0.00 -0.57 0.00 0.00 43.02 41.81 3d2r s PHE 234 CO 0.81 -0.93 1.08 -2.30 -0.10 0.00 0.00 175.22 173.78 3d2r n PRO 235 N 2.87 1.44 -0.33 0.24 -0.02 -1.09 -1.84 135.00 136.27 3d2r n PRO 235 Ca 0.27 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3d2r n PRO 235 Cb 0.50 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3d2r n PRO 235 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3d2r n ASP 236 N 1.35 0.00 -4.87 2.55 8.00 -1.26 -5.02 116.55 117.30 3d2r n ASP 236 Ca 0.10 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.30 3d2r n ASP 236 Cb 0.31 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.29 3d2r n ASP 236 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3d2r s GLN 237 N -0.01 3.23 0.96 -1.24 -0.21 -0.77 -5.10 119.66 116.51 3d2r s GLN 237 Ca 0.00 -0.56 -0.11 0.00 0.02 0.00 0.00 55.36 54.71 3d2r s GLN 237 Cb 0.00 -2.91 0.16 0.00 1.00 0.00 0.00 33.01 31.27 3d2r s GLN 237 CO 0.00 0.58 1.09 -1.25 -2.12 0.00 0.00 175.29 173.59 3d2r s PRO 238 N -2.55 0.75 -0.33 2.91 0.04 -1.26 -4.73 135.00 129.83 3d2r s PRO 238 Ca 0.33 0.96 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 3d2r s PRO 238 Cb -0.12 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.69 3d2r s PRO 238 CO 0.26 -2.63 0.14 0.42 0.04 0.00 0.00 177.00 175.23 3d2r s ILE 239 N -2.78 4.33 0.00 0.56 1.01 -1.26 -5.04 121.20 118.02 3d2r s ILE 239 Ca 0.65 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.64 3d2r s ILE 239 Cb -0.20 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 3d2r s ILE 239 CO 0.59 -0.04 -0.10 -1.00 0.00 0.00 0.00 174.94 174.39 3d2r s HIS 240 N 1.54 0.89 0.19 3.97 3.76 -1.26 -3.27 115.29 121.11 3d2r s HIS 240 Ca 0.03 -0.20 -0.02 0.00 -0.15 0.00 0.00 55.06 54.72 3d2r s HIS 240 Cb -0.18 -0.56 -0.04 0.00 1.11 0.00 0.00 32.58 32.91 3d2r s HIS 240 CO 0.05 -0.01 0.13 0.96 -0.85 0.00 0.00 174.74 175.02 3d2r s ILE 241 N -0.37 0.02 -0.15 0.60 -4.36 -1.07 -4.87 121.20 111.01 3d2r s ILE 241 Ca 0.03 -1.95 -0.29 0.00 -0.26 0.00 0.00 60.65 58.17 3d2r s ILE 241 Cb -0.05 -2.38 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 3d2r s ILE 241 CO -0.00 -0.11 1.15 -0.69 0.24 0.00 0.00 174.94 175.53 3d2r s VAL 242 N -4.13 4.46 0.18 8.37 1.01 -1.25 0.06 120.40 129.11 3d2r s VAL 242 Ca 0.35 1.76 -0.21 0.00 0.00 0.00 0.00 61.98 63.88 3d2r s VAL 242 Cb 0.07 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.36 3d2r s VAL 242 CO 0.09 -0.09 0.60 -0.47 0.00 0.00 0.00 175.10 175.23 3d2r s TYR 243 N 2.87 -0.40 -0.77 5.22 5.04 -0.86 -4.86 117.35 123.59 3d2r s TYR 243 Ca 0.51 0.12 -0.20 0.00 -2.44 0.00 0.00 57.07 55.06 3d2r s TYR 243 Cb -0.20 0.55 0.10 0.00 0.35 0.00 0.00 41.96 42.76 3d2r s TYR 243 CO 0.15 -0.92 1.00 0.08 -1.34 0.00 0.00 175.55 174.51 3d2r s VAL 244 N -3.80 4.60 0.32 3.14 1.01 -1.26 0.05 120.40 124.46 3d2r s VAL 244 Ca 0.04 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.02 3d2r s VAL 244 Cb -0.02 -4.70 0.30 0.00 0.00 0.00 0.00 36.38 31.96 3d2r s VAL 244 CO -0.08 -1.43 1.89 -0.65 0.00 0.00 0.00 175.10 174.83 3d2r h PRO 245 N 9.15 0.86 -0.72 2.72 0.11 -1.93 -1.17 132.00 141.03 3d2r h PRO 245 Ca -0.08 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.06 3d2r h PRO 245 Cb 1.05 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.92 3d2r h PRO 245 CO 1.13 0.57 0.47 0.66 -0.21 0.00 0.00 178.00 180.62 3d2r h SER 246 N 0.89 0.60 -0.23 -2.05 4.64 -1.93 0.42 113.55 115.88 3d2r h SER 246 Ca 0.42 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.68 3d2r h SER 246 Cb 0.43 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3d2r h SER 246 CO -0.18 0.38 -0.15 0.45 -0.87 0.00 0.00 176.83 176.45 3d2r h HIS 247 N 0.68 0.59 -0.32 4.77 3.86 -1.62 -1.68 115.15 121.43 3d2r h HIS 247 Ca 0.32 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 3d2r h HIS 247 Cb 0.36 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3d2r h HIS 247 CO -0.00 0.80 0.00 1.25 0.86 0.00 0.00 177.93 180.84 3d2r h LEU 248 N 0.21 0.55 -0.25 2.43 5.85 -1.01 -2.14 115.31 120.95 3d2r h LEU 248 Ca 0.05 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.52 3d2r h LEU 248 Cb 0.67 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 3d2r h LEU 248 CO 0.04 0.72 -0.15 -0.74 -0.34 0.00 0.00 178.44 177.98 3d2r h HIS 249 N 0.36 -0.36 -0.14 1.25 2.76 -0.22 -1.66 115.15 117.13 3d2r h HIS 249 Ca 0.09 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.33 3d2r h HIS 249 Cb 0.44 0.20 -0.05 0.00 1.55 0.00 0.00 27.41 29.55 3d2r h HIS 249 CO 0.04 -0.21 -0.15 1.25 -1.30 0.00 0.00 177.93 177.55 3d2r h HIS 250 N -0.12 -0.37 -0.38 5.26 -0.00 -1.02 0.16 115.15 118.67 3d2r h HIS 250 Ca 0.14 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.58 3d2r h HIS 250 Cb 0.33 0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 27.88 3d2r h HIS 250 CO -0.32 -0.22 0.08 0.52 -0.00 0.00 0.00 177.93 178.00 3d2r h MET 251 N -0.18 0.21 -0.24 5.26 2.07 -1.20 -1.29 114.93 119.56 3d2r h MET 251 Ca 0.10 -0.01 -0.07 0.00 -2.07 0.00 0.00 59.70 57.64 3d2r h MET 251 Cb 0.32 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 3d2r h MET 251 CO -0.25 0.14 -0.14 -0.07 1.07 0.00 0.00 176.91 177.66 3d2r h LEU 252 N 0.21 0.54 -0.42 1.22 3.38 -0.94 -1.73 115.31 117.58 3d2r h LEU 252 Ca 0.18 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.80 3d2r h LEU 252 Cb 0.21 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 3d2r h LEU 252 CO -0.23 0.85 0.03 0.15 0.09 0.00 0.00 178.44 179.32 3d2r h PHE 253 N 0.24 0.03 -0.51 1.13 3.57 -0.81 0.14 116.94 120.73 3d2r h PHE 253 Ca 0.05 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 3d2r h PHE 253 Cb 0.65 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 3d2r h PHE 253 CO 0.07 -0.05 0.02 0.93 -2.23 0.00 0.00 178.31 177.05 3d2r h GLU 254 N 0.14 0.88 -0.45 1.11 4.39 -1.09 -0.35 114.58 119.21 3d2r h GLU 254 Ca 0.21 -0.27 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 3d2r h GLU 254 Cb 0.28 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3d2r h GLU 254 CO -0.32 0.90 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.21 3d2r h LEU 255 N 0.75 0.87 -0.63 1.33 3.38 -1.01 -2.39 115.31 117.61 3d2r h LEU 255 Ca 0.15 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 3d2r h LEU 255 Cb 0.49 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3d2r h LEU 255 CO 0.02 1.02 -0.06 -0.26 0.09 0.00 0.00 178.44 179.25 3d2r h PHE 256 N 0.77 1.11 -0.93 1.13 0.05 -0.58 -0.49 116.94 118.00 3d2r h PHE 256 Ca 0.12 -0.21 -0.01 0.00 3.82 0.00 0.00 57.97 61.69 3d2r h PHE 256 Cb 0.68 -0.28 -0.05 0.00 2.00 0.00 0.00 35.95 38.30 3d2r h PHE 256 CO 0.04 1.01 0.56 0.87 -0.18 0.00 0.00 178.31 180.61 3d2r h LYS 257 N 0.91 1.27 -0.14 1.51 1.57 -0.97 0.12 116.57 120.84 3d2r h LYS 257 Ca 0.15 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3d2r h LYS 257 Cb 0.61 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3d2r h LYS 257 CO 0.04 0.89 0.01 -0.91 -0.57 0.00 0.00 179.45 178.91 3d2r h ASN 258 N 1.29 0.24 -0.57 0.86 2.35 -1.22 -1.40 115.58 117.12 3d2r h ASN 258 Ca 0.33 -0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3d2r h ASN 258 Cb -0.05 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3d2r h ASN 258 CO -0.06 0.46 0.18 0.00 -1.65 0.00 0.00 177.43 176.36 3d2r h ALA 259 N 0.79 1.18 -0.09 -0.83 0.00 -0.82 -1.98 119.26 117.50 3d2r h ALA 259 Ca 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3d2r h ALA 259 Cb 0.33 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3d2r h ALA 259 CO 0.00 0.57 -0.05 0.52 0.00 0.00 0.00 179.25 180.30 3d2r h MET 260 N 0.89 0.20 -0.67 0.00 2.86 -0.71 -1.68 114.93 115.82 3d2r h MET 260 Ca 0.20 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3d2r h MET 260 Cb 0.27 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3d2r h MET 260 CO -0.01 0.57 0.44 -0.09 1.06 0.00 0.00 176.91 178.88 3d2r h ARG 261 N -0.17 0.87 -0.48 1.72 2.43 -1.22 -0.22 114.38 117.32 3d2r h ARG 261 Ca 0.02 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3d2r h ARG 261 Cb 0.51 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3d2r h ARG 261 CO 0.01 0.58 0.26 0.00 -1.51 0.00 0.00 179.97 179.31 3d2r h ALA 262 N 1.25 0.61 0.43 2.80 0.00 -1.34 -0.66 119.26 122.36 3d2r h ALA 262 Ca 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3d2r h ALA 262 Cb -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3d2r h ALA 262 CO -0.06 0.14 -0.21 1.15 0.00 0.00 0.00 179.25 180.27 3d2r h THR 263 N 0.63 0.57 -0.42 0.00 2.02 -0.96 -1.51 112.91 113.24 3d2r h THR 263 Ca 0.17 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.24 3d2r h THR 263 Cb 0.06 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3d2r h THR 263 CO -0.03 0.02 0.27 0.58 0.37 0.00 0.00 175.52 176.73 3d2r h VAL 264 N -0.65 1.09 -0.22 3.16 2.07 -0.92 -0.89 116.25 119.89 3d2r h VAL 264 Ca -0.06 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 3d2r h VAL 264 Cb 0.48 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3d2r h VAL 264 CO 0.10 0.10 -0.50 -0.33 0.02 0.00 0.00 177.57 176.96 3d2r h GLU 265 N 0.55 0.60 -0.04 1.57 5.08 -1.10 -2.34 114.58 118.90 3d2r h GLU 265 Ca 0.16 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 58.04 3d2r h GLU 265 Cb -0.04 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3d2r h GLU 265 CO -0.05 0.96 -0.57 1.25 -1.00 0.00 0.00 179.01 179.61 3d2r h HIS 266 N 0.47 0.14 -0.69 4.33 2.76 -1.12 -3.17 115.15 117.88 3d2r h HIS 266 Ca 0.02 -0.05 -0.36 0.00 -2.20 0.00 0.00 60.37 57.78 3d2r h HIS 266 Cb 1.04 -0.03 -0.21 0.00 1.55 0.00 0.00 27.41 29.76 3d2r h HIS 266 CO 0.05 0.65 0.29 1.04 -1.30 0.00 0.00 177.93 178.66 3d2r n GLN 267 N -3.88 2.05 0.23 5.26 6.02 -0.35 -4.68 117.38 122.02 3d2r n GLN 267 Ca -0.02 -3.11 0.16 0.00 -0.01 0.00 0.00 57.00 54.03 3d2r n GLN 267 Cb 0.58 -2.00 0.81 0.00 1.02 0.00 0.00 30.24 30.64 3d2r n GLN 267 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 3d2r h GLU 268 N 1.01 0.00 -0.51 -1.09 4.11 -1.40 -0.66 114.58 116.04 3d2r h GLU 268 Ca 0.44 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.66 3d2r h GLU 268 Cb 2.28 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 31.40 3d2r h GLU 268 CO 0.76 0.00 0.13 0.09 0.07 0.00 0.00 179.01 180.06 3d2r n ASN 269 N -2.64 3.37 -4.61 3.06 5.03 -1.26 -4.96 115.26 113.26 3d2r n ASN 269 Ca -0.01 -3.51 -0.31 0.00 0.87 0.00 0.00 54.58 51.62 3d2r n ASN 269 Cb 0.11 -0.67 -0.10 0.00 -1.02 0.00 0.00 39.78 38.10 3d2r n ASN 269 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3d2r s GLN 270 N -3.13 2.38 0.43 3.52 -1.52 -0.25 -5.02 119.66 116.07 3d2r s GLN 270 Ca 0.48 -0.87 0.24 0.00 -1.95 0.00 0.00 55.36 53.26 3d2r s GLN 270 Cb 0.41 -2.43 0.80 0.00 -0.22 0.00 0.00 33.01 31.57 3d2r s GLN 270 CO 0.06 0.55 1.77 -1.00 -0.25 0.00 0.00 175.29 176.42 3d2r h PRO 271 N 3.93 0.00 0.00 2.91 0.13 -1.93 -3.46 132.00 133.58 3d2r h PRO 271 Ca -0.48 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.36 3d2r h PRO 271 Cb 1.17 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 3d2r h PRO 271 CO 0.54 0.22 -0.28 -1.13 -0.23 0.00 0.00 178.00 177.13 3d2r n SER 272 N -3.31 -0.46 -4.07 1.44 3.41 -1.26 -5.16 113.62 104.21 3d2r n SER 272 Ca 0.01 -2.33 -0.23 0.00 -0.26 0.00 0.00 58.87 56.05 3d2r n SER 272 Cb 0.47 1.06 -0.16 0.00 -0.26 0.00 0.00 64.21 65.32 3d2r n SER 272 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3d2r s LEU 273 N 0.00 1.84 0.44 1.04 1.43 -1.26 -5.00 118.68 117.18 3d2r s LEU 273 Ca 0.24 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.83 3d2r s LEU 273 Cb 0.01 -0.77 -0.08 0.00 0.03 0.00 0.00 46.19 45.39 3d2r s LEU 273 CO 0.17 0.11 1.21 0.42 0.23 0.00 0.00 176.35 178.49 3d2r s THR 274 N 0.14 2.93 0.97 5.49 -4.23 -1.26 -4.77 115.64 114.90 3d2r s THR 274 Ca -0.04 0.74 -0.12 0.00 -1.18 0.00 0.00 61.69 61.09 3d2r s THR 274 Cb -0.10 -3.40 0.17 0.00 1.34 0.00 0.00 72.50 70.51 3d2r s THR 274 CO 0.01 0.03 1.09 -2.16 -0.54 0.00 0.00 174.62 173.06 3d2r s PRO 275 N -2.53 0.69 -0.21 3.99 0.04 -1.26 -4.58 135.00 131.13 3d2r s PRO 275 Ca 0.62 0.68 -0.15 0.00 0.04 0.00 0.00 61.00 62.19 3d2r s PRO 275 Cb -0.32 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3d2r s PRO 275 CO 0.39 -2.60 0.35 0.42 0.04 0.00 0.00 177.00 175.61 3d2r s ILE 276 N -2.91 5.23 -0.17 0.56 1.01 0.38 -4.60 121.20 120.70 3d2r s ILE 276 Ca 0.65 0.60 -0.09 0.00 0.00 0.00 0.00 60.65 61.81 3d2r s ILE 276 Cb -0.19 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 3d2r s ILE 276 CO 0.58 0.28 0.12 -1.61 0.00 0.00 0.00 174.94 174.31 3d2r s GLU 277 N 1.22 3.95 -0.04 2.79 2.02 0.05 -1.07 118.70 127.61 3d2r s GLU 277 Ca 0.17 -0.21 0.03 0.00 0.02 0.00 0.00 54.97 54.98 3d2r s GLU 277 Cb -0.14 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.76 3d2r s GLU 277 CO 0.07 0.43 -0.12 0.08 0.02 0.00 0.00 175.26 175.74 3d2r s VAL 278 N -0.04 1.05 -0.05 2.63 1.01 0.17 -0.15 120.40 125.02 3d2r s VAL 278 Ca 0.09 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3d2r s VAL 278 Cb -0.11 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 3d2r s VAL 278 CO -0.00 0.32 -0.19 -0.51 0.00 0.00 0.00 175.10 174.72 3d2r s ILE 279 N 0.22 1.56 -0.17 2.22 2.07 -0.63 -0.93 121.20 125.54 3d2r s ILE 279 Ca -0.05 -0.78 -0.03 0.00 -1.41 0.00 0.00 60.65 58.38 3d2r s ILE 279 Cb -0.11 -1.35 -0.02 0.00 0.13 0.00 0.00 42.46 41.12 3d2r s ILE 279 CO 0.01 0.45 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.73 3d2r s VAL 280 N 0.08 3.44 -0.07 4.00 1.01 -0.60 -0.85 120.40 127.41 3d2r s VAL 280 Ca -0.06 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3d2r s VAL 280 Cb -0.13 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.76 3d2r s VAL 280 CO 0.03 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 3d2r s VAL 281 N 0.78 1.06 -0.28 2.92 1.01 0.59 -0.22 120.40 126.26 3d2r s VAL 281 Ca -0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 3d2r s VAL 281 Cb -0.15 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.24 3d2r s VAL 281 CO 0.02 0.35 0.05 -0.22 0.00 0.00 0.00 175.10 175.30 3d2r s LEU 282 N 0.87 3.63 0.00 3.92 2.96 -0.39 -0.12 118.68 129.55 3d2r s LEU 282 Ca -0.11 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.19 3d2r s LEU 282 Cb -0.15 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.68 3d2r s LEU 282 CO 0.01 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.51 3d2r n GLY 283 N 4.85 3.80 0.25 7.98 0.00 0.47 -0.02 105.19 122.52 3d2r n GLY 283 Ca -0.15 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.56 3d2r n GLY 283 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d2r h LYS 284 N 0.00 -0.43 0.00 1.61 1.57 -1.96 -3.31 116.57 114.04 3d2r h LYS 284 Ca 0.00 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 3d2r h LYS 284 Cb 0.00 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3d2r h LYS 284 CO 0.00 -0.29 -2.00 0.39 -0.57 0.00 0.00 179.45 176.98 3d2r n GLU 285 N -5.34 0.66 -4.32 3.15 1.02 -1.26 -4.84 120.64 109.72 3d2r n GLU 285 Ca -0.08 -0.09 -0.21 0.00 -0.02 0.00 0.00 57.16 56.76 3d2r n GLU 285 Cb 0.25 -1.56 -0.13 0.00 -0.02 0.00 0.00 31.44 29.98 3d2r n GLU 285 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3d2r s ASP 286 N -4.94 1.91 -0.18 1.62 1.01 -1.25 -0.77 116.67 114.08 3d2r s ASP 286 Ca -0.08 -0.55 -0.05 0.00 0.71 0.00 0.00 52.55 52.58 3d2r s ASP 286 Cb 0.11 -0.11 -0.03 0.00 1.01 0.00 0.00 42.92 43.91 3d2r s ASP 286 CO 0.87 0.02 -0.01 -0.22 0.21 0.00 0.00 175.17 176.04 3d2r s LEU 287 N -1.46 3.33 -0.00 1.23 1.98 0.03 -0.40 118.68 123.39 3d2r s LEU 287 Ca 0.02 -0.13 0.07 0.00 -2.89 0.00 0.00 54.13 51.19 3d2r s LEU 287 Cb -0.09 -1.83 -0.02 0.00 0.66 0.00 0.00 46.19 44.92 3d2r s LEU 287 CO 0.02 0.12 -0.21 -0.89 -1.89 0.00 0.00 176.35 173.51 3d2r s THR 288 N 0.64 1.65 -0.08 3.68 2.01 0.83 -1.06 115.64 123.30 3d2r s THR 288 Ca -0.01 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.05 3d2r s THR 288 Cb -0.14 -1.38 0.02 0.00 0.01 0.00 0.00 72.50 71.01 3d2r s THR 288 CO 0.02 0.41 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.66 3d2r s ILE 289 N -0.55 0.90 -0.11 1.82 1.01 -0.19 -0.30 121.20 123.78 3d2r s ILE 289 Ca 0.08 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.49 3d2r s ILE 289 Cb -0.08 -0.90 -0.00 0.00 0.01 0.00 0.00 42.46 41.48 3d2r s ILE 289 CO -0.00 0.33 -0.21 -0.75 0.00 0.00 0.00 174.94 174.30 3d2r s LYS 290 N 1.28 3.14 -0.22 2.79 2.20 -0.03 -0.66 119.74 128.24 3d2r s LYS 290 Ca -0.04 -0.83 -0.02 0.00 -0.36 0.00 0.00 55.97 54.72 3d2r s LYS 290 Cb -0.14 -2.39 0.01 0.00 -1.51 0.00 0.00 37.83 33.80 3d2r s LYS 290 CO -0.03 0.18 -0.08 0.42 -0.36 0.00 0.00 175.35 175.48 3d2r s ILE 291 N 0.36 2.95 -0.10 5.43 1.01 0.50 -1.61 121.20 129.74 3d2r s ILE 291 Ca -0.17 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.81 3d2r s ILE 291 Cb -0.17 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 3d2r s ILE 291 CO 0.08 0.41 -0.21 -0.44 0.00 0.00 0.00 174.94 174.78 3d2r s SER 292 N 1.40 3.40 0.23 3.58 0.01 0.79 -0.38 113.70 122.74 3d2r s SER 292 Ca 0.05 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 56.89 3d2r s SER 292 Cb -0.14 -1.34 -0.05 0.00 0.21 0.00 0.00 66.02 64.70 3d2r s SER 292 CO -0.06 0.19 -0.05 1.51 0.41 0.00 0.00 173.24 175.23 3d2r s ASP 293 N 0.20 2.20 -0.62 2.44 1.47 -0.60 -0.77 116.67 120.98 3d2r s ASP 293 Ca -0.12 -1.15 0.03 0.00 1.18 0.00 0.00 52.55 52.48 3d2r s ASP 293 Cb -0.16 -0.07 0.37 0.00 -0.34 0.00 0.00 42.92 42.72 3d2r s ASP 293 CO 0.07 -0.39 1.32 0.54 0.68 0.00 0.00 175.17 177.39 3d2r n ARG 294 N -0.43 3.49 -0.49 2.11 1.74 -1.26 -2.11 116.66 119.71 3d2r n ARG 294 Ca -0.06 -4.45 0.06 0.00 -0.77 0.00 0.00 57.85 52.63 3d2r n ARG 294 Cb 0.63 -2.28 0.26 0.00 -1.02 0.00 0.00 32.46 30.05 3d2r n ARG 294 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d2r n GLY 295 N -0.38 2.12 0.87 -0.13 0.00 -1.21 -4.78 105.19 101.69 3d2r n GLY 295 Ca 0.40 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3d2r n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2r n GLY 296 N 0.77 1.47 7.00 -0.02 0.00 -0.30 -4.53 105.19 109.58 3d2r n GLY 296 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3d2r n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2r n GLY 297 N -2.00 -1.26 2.94 -0.02 0.00 -1.26 0.16 105.19 103.75 3d2r n GLY 297 Ca 0.00 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 3d2r n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d2r s VAL 298 N 0.00 -0.01 0.56 1.61 1.01 -1.26 -4.70 120.40 117.61 3d2r s VAL 298 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 3d2r s VAL 298 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.21 3d2r s VAL 298 CO 0.00 0.01 1.32 -2.84 0.00 0.00 0.00 175.10 173.59 3d2r s PRO 299 N 0.25 3.08 0.38 2.72 0.02 -1.26 -4.21 135.00 135.98 3d2r s PRO 299 Ca -0.02 2.14 0.07 0.00 0.02 0.00 0.00 61.00 63.21 3d2r s PRO 299 Cb -0.03 -2.18 0.75 0.00 0.02 0.00 0.00 34.50 33.06 3d2r s PRO 299 CO -0.01 -1.20 1.94 1.25 -0.33 0.00 0.00 177.00 178.65 3d2r h LEU 300 N 1.32 0.38 -1.22 -5.54 5.85 -2.01 -1.16 115.31 112.94 3d2r h LEU 300 Ca -0.51 -0.06 0.33 0.00 0.84 0.00 0.00 57.88 58.48 3d2r h LEU 300 Cb 1.30 -0.10 -0.12 0.00 0.37 0.00 0.00 40.66 42.11 3d2r h LEU 300 CO 0.57 0.43 0.68 -0.09 -0.34 0.00 0.00 178.44 179.68 3d2r h ARG 301 N 0.41 0.30 -0.00 1.25 2.43 -2.04 -2.12 114.38 114.61 3d2r h ARG 301 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3d2r h ARG 301 Cb 0.23 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3d2r h ARG 301 CO 0.00 0.20 -0.88 -0.89 -1.51 0.00 0.00 179.97 176.89 3d2r n ILE 302 N -4.81 0.00 -0.02 1.20 5.41 -0.44 -4.56 119.36 116.13 3d2r n ILE 302 Ca 0.31 -0.06 -0.09 0.00 1.00 0.00 0.00 62.75 63.91 3d2r n ILE 302 Cb 1.05 1.02 -0.02 0.00 -0.71 0.00 0.00 39.64 40.97 3d2r n ILE 302 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3d2r h ILE 303 N 0.21 0.66 -0.80 1.39 1.08 -1.32 -2.17 117.51 116.57 3d2r h ILE 303 Ca 0.00 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 3d2r h ILE 303 Cb 0.49 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 3d2r h ILE 303 CO 0.00 0.00 0.52 0.44 -0.69 0.00 0.00 178.15 178.42 3d2r h ASP 304 N -0.11 0.88 0.59 1.72 3.32 -1.80 -0.78 116.42 120.23 3d2r h ASP 304 Ca 0.10 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3d2r h ASP 304 Cb 0.27 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3d2r h ASP 304 CO -0.25 0.62 0.00 0.08 -1.72 0.00 0.00 179.24 177.98 3d2r h ARG 305 N 1.04 0.00 -0.33 3.56 0.11 -1.69 -1.76 114.38 115.31 3d2r h ARG 305 Ca 0.31 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.38 3d2r h ARG 305 Cb -0.06 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.00 3d2r h ARG 305 CO -0.09 0.00 0.16 -0.07 0.10 0.00 0.00 179.97 180.07 3d2r h LEU 306 N 0.00 0.40 -0.35 0.08 3.38 -0.79 -1.92 115.31 116.11 3d2r h LEU 306 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3d2r h LEU 306 Cb 0.29 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3d2r h LEU 306 CO 0.00 0.35 -0.00 0.49 0.09 0.00 0.00 178.44 179.36 3d2r n PHE 307 N -4.43 0.00 -1.89 1.13 3.72 -0.66 -4.75 117.46 110.59 3d2r n PHE 307 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 3d2r n PHE 307 Cb 0.11 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 3d2r n PHE 307 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3d2r s SER 308 N -2.02 6.54 0.23 4.37 0.01 -0.72 -4.30 113.70 117.80 3d2r s SER 308 Ca 0.44 2.68 -0.32 0.00 1.31 0.00 0.00 55.95 60.05 3d2r s SER 308 Cb 0.22 -2.60 -0.13 0.00 0.21 0.00 0.00 66.02 63.72 3d2r s SER 308 CO 0.36 -0.86 1.53 -1.22 0.41 0.00 0.00 173.24 173.46 3d2r n TYR 309 N 3.97 2.40 0.00 2.43 4.02 -1.26 -1.91 117.16 126.81 3d2r n TYR 309 Ca 0.14 0.31 0.00 0.00 -0.01 0.00 0.00 57.90 58.34 3d2r n TYR 309 Cb 0.38 -2.53 0.00 0.00 -0.02 0.00 0.00 39.34 37.16 3d2r n TYR 309 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3d2r n THR 310 N 2.57 0.00 -1.80 -0.72 -2.24 -0.32 -5.01 114.28 106.76 3d2r n THR 310 Ca 0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.49 3d2r n THR 310 Cb 0.32 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 3d2r n THR 310 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3d2r s TYR 311 N -1.08 1.82 -0.16 4.78 5.04 -0.80 -4.41 117.35 122.54 3d2r s TYR 311 Ca 0.00 -0.09 -0.16 0.00 -2.44 0.00 0.00 57.07 54.38 3d2r s TYR 311 Cb 0.00 -4.11 0.04 0.00 0.35 0.00 0.00 41.96 38.24 3d2r s TYR 311 CO 0.00 -4.74 0.46 0.45 -1.34 0.00 0.00 175.55 170.37 3d2r s SER 312 N 3.46 -0.47 0.00 4.32 0.15 -1.26 -4.39 113.70 115.52 3d2r s SER 312 Ca 0.81 0.87 0.17 0.00 0.70 0.00 0.00 55.95 58.50 3d2r s SER 312 Cb -0.41 0.89 0.51 0.00 -1.71 0.00 0.00 66.02 65.30 3d2r s SER 312 CO 0.36 -0.19 1.41 0.35 1.20 0.00 0.00 173.24 176.37 3d2r n THR 313 N 2.68 0.50 -3.46 6.45 -2.24 -1.26 -4.89 114.28 112.05 3d2r n THR 313 Ca -0.14 -0.57 -0.19 0.00 -2.27 0.00 0.00 64.05 60.88 3d2r n THR 313 Cb 0.57 0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 69.21 3d2r n THR 313 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d2r s ALA 314 N -1.50 4.19 0.66 6.98 0.00 -1.26 -5.10 121.76 125.72 3d2r s ALA 314 Ca 0.33 -1.61 -0.01 0.00 0.00 0.00 0.00 51.96 50.66 3d2r s ALA 314 Cb 0.18 -1.46 0.08 0.00 0.00 0.00 0.00 23.12 21.92 3d2r s ALA 314 CO 0.24 -0.10 0.92 -1.25 0.00 0.00 0.00 175.76 175.56 3d2r s PRO 315 N -4.17 2.09 0.00 0.00 0.04 -1.26 -4.75 135.00 126.95 3d2r s PRO 315 Ca 0.47 -0.81 0.00 0.00 0.04 0.00 0.00 61.00 60.70 3d2r s PRO 315 Cb -0.08 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3d2r s PRO 315 CO 0.30 -1.14 0.00 -2.37 0.04 0.00 0.00 177.00 173.83 3d2r n THR 316 N -2.68 0.00 -3.21 1.26 5.66 -1.26 -4.46 114.28 109.59 3d2r n THR 316 Ca 0.11 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.72 3d2r n THR 316 Cb 0.60 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.32 3d2r n THR 316 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3d2r s ALA 325 N -1.59 3.45 0.72 1.79 0.00 -1.26 -5.07 121.76 119.80 3d2r s ALA 325 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 3d2r s ALA 325 Cb 0.00 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.36 3d2r s ALA 325 CO 0.00 -0.14 1.07 -1.25 0.00 0.00 0.00 175.76 175.44 3d2r s PRO 326 N 0.93 2.70 0.14 0.00 0.04 -1.26 -4.63 135.00 132.93 3d2r s PRO 326 Ca 0.29 0.96 0.07 0.00 0.04 0.00 0.00 61.00 62.36 3d2r s PRO 326 Cb -0.16 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 3d2r s PRO 326 CO 0.12 -1.27 1.33 -0.07 0.04 0.00 0.00 177.00 177.16 3d2r h LEU 327 N -0.84 0.04 -9.08 -3.56 3.38 -1.95 -3.48 115.31 99.82 3d2r h LEU 327 Ca -0.44 -0.04 -0.45 0.00 0.09 0.00 0.00 57.88 57.04 3d2r h LEU 327 Cb 1.22 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 3d2r h LEU 327 CO 0.56 0.96 -0.65 0.00 0.09 0.00 0.00 178.44 179.40 3d2r s ALA 328 N -2.88 2.17 0.00 1.53 0.00 -1.26 -4.95 121.76 116.37 3d2r s ALA 328 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.06 3d2r s ALA 328 Cb 0.10 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.65 3d2r s ALA 328 CO 0.81 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.78 3d2r n GLY 329 N -0.56 1.43 0.12 0.00 0.00 -1.26 -4.75 105.19 100.16 3d2r n GLY 329 Ca -0.04 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3d2r n GLY 329 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3d2r h PHE 330 N 0.00 0.00 -0.67 1.61 0.05 -1.90 -3.44 116.94 112.59 3d2r h PHE 330 Ca 0.00 0.00 -0.17 0.00 3.82 0.00 0.00 57.97 61.62 3d2r h PHE 330 Cb 0.00 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 37.90 3d2r h PHE 330 CO 0.00 0.00 -0.18 0.41 -0.18 0.00 0.00 178.31 178.36 3d2r n GLY 331 N 1.22 0.71 0.00 -1.45 0.00 -1.26 -3.96 105.19 100.45 3d2r n GLY 331 Ca 0.02 -0.61 0.05 0.00 0.00 0.00 0.00 46.02 45.48 3d2r n GLY 331 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d2r n TYR 332 N -3.16 0.00 0.02 1.61 4.02 -1.26 -1.17 117.16 117.22 3d2r n TYR 332 Ca -0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.68 3d2r n TYR 332 Cb 0.38 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.63 3d2r n TYR 332 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3d2r h GLY 333 N 2.51 -0.62 0.75 2.72 0.00 -1.95 -2.08 103.07 104.40 3d2r h GLY 333 Ca 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 3d2r h GLY 333 CO 0.00 -0.23 -0.13 1.41 0.00 0.00 0.00 176.54 177.59 3d2r h LEU 334 N -0.48 -0.32 -0.69 3.11 3.38 -1.87 -2.15 115.31 116.29 3d2r h LEU 334 Ca 0.08 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3d2r h LEU 334 Cb 0.60 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3d2r h LEU 334 CO -0.36 -0.02 0.24 1.55 0.09 0.00 0.00 178.44 179.94 3d2r h PRO 335 N -0.62 1.06 -0.32 1.13 0.13 -1.74 -1.96 132.00 129.67 3d2r h PRO 335 Ca -0.04 -0.22 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 3d2r h PRO 335 Cb 0.45 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 3d2r h PRO 335 CO 0.06 0.91 0.08 0.82 -0.23 0.00 0.00 178.00 179.63 3d2r h ILE 336 N 1.01 1.22 -0.59 -3.56 1.08 -1.47 -1.70 117.51 113.50 3d2r h ILE 336 Ca 0.23 -0.74 0.02 0.00 -0.39 0.00 0.00 64.86 63.98 3d2r h ILE 336 Cb 0.27 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 3d2r h ILE 336 CO -0.01 0.25 0.39 0.28 -0.69 0.00 0.00 178.15 178.37 3d2r h SER 337 N 0.36 0.62 -0.15 1.72 0.02 -1.31 -1.37 113.55 113.44 3d2r h SER 337 Ca 0.10 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.85 3d2r h SER 337 Cb 0.30 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3d2r h SER 337 CO 0.00 0.44 -0.63 -0.09 -1.14 0.00 0.00 176.83 175.41 3d2r h ARG 338 N 0.73 0.76 -0.47 3.45 2.43 -1.10 -2.19 114.38 117.99 3d2r h ARG 338 Ca 0.23 -0.53 0.04 0.00 -0.81 0.00 0.00 59.98 58.91 3d2r h ARG 338 Cb 0.02 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3d2r h ARG 338 CO -0.06 1.15 0.23 -0.07 -1.51 0.00 0.00 179.97 179.72 3d2r h LEU 339 N 0.56 0.33 -0.58 3.80 3.38 -0.57 -0.38 115.31 121.85 3d2r h LEU 339 Ca -0.01 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3d2r h LEU 339 Cb 1.23 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 3d2r h LEU 339 CO 0.13 0.23 0.28 1.88 0.09 0.00 0.00 178.44 181.05 3d2r h TYR 340 N 0.46 0.51 -0.36 1.13 -1.99 -1.17 -0.53 116.97 115.02 3d2r h TYR 340 Ca 0.21 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.96 3d2r h TYR 340 Cb 0.12 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 3d2r h TYR 340 CO -0.11 0.22 0.21 0.00 -0.00 0.00 0.00 178.16 178.48 3d2r h ALA 341 N 1.34 0.46 0.00 3.88 0.00 -1.07 -3.05 119.26 120.82 3d2r h ALA 341 Ca 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3d2r h ALA 341 Cb 0.23 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3d2r h ALA 341 CO -0.21 -0.04 -0.05 0.87 0.00 0.00 0.00 179.25 179.82 3d2r h LYS 342 N 0.47 0.00 -0.91 0.00 1.57 -0.74 -0.60 116.57 116.36 3d2r h LYS 342 Ca 0.13 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.99 3d2r h LYS 342 Cb 0.01 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 3d2r h LYS 342 CO -0.02 0.05 0.59 -0.92 -0.57 0.00 0.00 179.45 178.58 3d2r h TYR 343 N 0.00 1.02 -0.72 -1.35 3.20 -0.98 0.12 116.97 118.25 3d2r h TYR 343 Ca -0.00 0.03 -0.45 0.00 3.14 0.00 0.00 58.73 61.45 3d2r h TYR 343 Cb 0.76 -0.33 -0.26 0.00 1.54 0.00 0.00 36.73 38.44 3d2r h TYR 343 CO 0.00 0.50 0.17 1.19 -1.64 0.00 0.00 178.16 178.39 3d2r n PHE 344 N -4.51 2.35 -1.57 -3.82 0.99 -1.25 0.12 117.46 109.77 3d2r n PHE 344 Ca 0.15 -2.15 -0.11 0.00 -0.00 0.00 0.00 57.45 55.34 3d2r n PHE 344 Cb 0.25 -0.81 -0.04 0.00 -1.00 0.00 0.00 39.48 37.88 3d2r n PHE 344 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3d2r n GLN 345 N -1.00 -0.80 0.00 -1.08 1.13 0.41 -3.99 117.38 112.05 3d2r n GLN 345 Ca 0.48 0.79 0.00 0.00 -1.94 0.00 0.00 57.00 56.33 3d2r n GLN 345 Cb 1.05 -4.80 0.00 0.00 0.11 0.00 0.00 30.24 26.61 3d2r n GLN 345 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d2r n GLY 346 N -1.46 0.52 3.77 1.08 0.00 -0.23 -4.62 105.19 104.25 3d2r n GLY 346 Ca -0.12 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.06 3d2r n GLY 346 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d2r s ASP 347 N -1.00 -0.22 -0.12 1.61 -1.08 -0.27 -3.80 116.67 111.79 3d2r s ASP 347 Ca 0.00 -0.44 -0.05 0.00 -0.52 0.00 0.00 52.55 51.54 3d2r s ASP 347 Cb 0.00 0.56 0.06 0.00 -1.46 0.00 0.00 42.92 42.08 3d2r s ASP 347 CO 0.00 -1.03 0.25 -0.22 0.52 0.00 0.00 175.17 174.69 3d2r s LEU 348 N -2.91 -0.06 0.15 -1.34 0.20 -1.26 -0.86 118.68 112.60 3d2r s LEU 348 Ca 0.11 0.55 0.06 0.00 0.69 0.00 0.00 54.13 55.54 3d2r s LEU 348 Cb -0.03 0.68 -0.04 0.00 -0.43 0.00 0.00 46.19 46.37 3d2r s LEU 348 CO 0.03 -0.22 -0.12 0.20 -0.29 0.00 0.00 176.35 175.95 3d2r s ASN 349 N 2.05 2.04 -0.06 3.68 0.01 -0.68 -4.95 114.94 117.03 3d2r s ASN 349 Ca -0.02 -0.96 0.04 0.00 -0.71 0.00 0.00 52.86 51.21 3d2r s ASN 349 Cb -0.12 -0.06 -0.00 0.00 0.41 0.00 0.00 41.25 41.49 3d2r s ASN 349 CO -0.08 -0.24 -0.20 -0.22 -1.51 0.00 0.00 177.10 174.85 3d2r s LEU 350 N -3.02 1.94 -0.04 0.60 2.96 -1.26 -0.92 118.68 118.94 3d2r s LEU 350 Ca 0.16 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3d2r s LEU 350 Cb -0.00 -1.14 0.01 0.00 0.50 0.00 0.00 46.19 45.56 3d2r s LEU 350 CO 0.03 0.15 -0.09 -0.72 -1.32 0.00 0.00 176.35 174.40 3d2r s TYR 351 N 0.19 1.05 0.11 5.38 -0.85 0.01 -5.01 117.35 118.23 3d2r s TYR 351 Ca -0.10 -0.31 0.08 0.00 -0.52 0.00 0.00 57.07 56.22 3d2r s TYR 351 Cb -0.14 -0.79 -0.04 0.00 0.38 0.00 0.00 41.96 41.37 3d2r s TYR 351 CO 0.05 -0.17 -0.19 0.45 -1.52 0.00 0.00 175.55 174.17 3d2r s SER 352 N 0.48 2.44 -0.49 -0.18 0.15 -1.26 0.20 113.70 115.04 3d2r s SER 352 Ca -0.08 -0.73 -0.01 0.00 0.70 0.00 0.00 55.95 55.83 3d2r s SER 352 Cb -0.12 -0.13 0.13 0.00 -1.71 0.00 0.00 66.02 64.19 3d2r s SER 352 CO 0.01 0.01 0.27 -0.76 1.20 0.00 0.00 173.24 173.97 3d2r s LEU 353 N -2.11 5.08 0.13 3.45 1.02 0.74 -4.87 118.68 122.12 3d2r s LEU 353 Ca 0.08 -2.44 -0.31 0.00 0.02 0.00 0.00 54.13 51.48 3d2r s LEU 353 Cb -0.09 -1.79 -0.10 0.00 0.02 0.00 0.00 46.19 44.24 3d2r s LEU 353 CO 0.04 -0.43 1.66 -0.55 0.02 0.00 0.00 176.35 177.09 3d2r s SER 354 N 1.09 6.55 0.00 2.29 0.15 -1.26 -0.52 113.70 121.99 3d2r s SER 354 Ca 0.12 2.61 0.00 0.00 0.70 0.00 0.00 55.95 59.39 3d2r s SER 354 Cb -0.22 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 3d2r s SER 354 CO -0.04 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.12 3d2r n GLY 355 N 3.94 0.81 1.65 9.45 0.00 0.12 -4.90 105.19 116.26 3d2r n GLY 355 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3d2r n GLY 355 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3d2r n TYR 356 N -1.59 -1.04 -4.01 1.61 9.36 0.32 -4.78 117.16 117.03 3d2r n TYR 356 Ca 0.00 0.18 0.02 0.00 3.32 0.00 0.00 57.90 61.43 3d2r n TYR 356 Cb 0.00 0.36 0.01 0.00 -0.63 0.00 0.00 39.34 39.07 3d2r n TYR 356 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3d2r n GLY 357 N 2.23 0.26 3.02 2.98 0.00 -0.37 -1.15 105.19 112.16 3d2r n GLY 357 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 3d2r n GLY 357 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d2r s THR 358 N -2.02 0.55 -0.18 2.61 2.01 -0.90 -0.18 115.64 117.53 3d2r s THR 358 Ca 0.18 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.53 3d2r s THR 358 Cb -0.00 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 3d2r s THR 358 CO -0.01 -0.05 0.01 -1.81 -0.69 0.00 0.00 174.62 172.07 3d2r s ASP 359 N -0.70 5.12 -0.09 3.53 -0.00 0.13 -1.56 116.67 123.09 3d2r s ASP 359 Ca -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 52.55 52.47 3d2r s ASP 359 Cb -0.05 -1.86 -0.03 0.00 -0.00 0.00 0.00 42.92 40.98 3d2r s ASP 359 CO 0.00 0.14 -0.09 0.00 -0.00 0.00 0.00 175.17 175.23 3d2r s ALA 360 N 0.53 2.86 -0.05 5.23 0.00 0.49 -0.81 121.76 130.02 3d2r s ALA 360 Ca -0.00 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.07 3d2r s ALA 360 Cb -0.14 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.78 3d2r s ALA 360 CO 0.02 0.46 -0.06 -1.50 0.00 0.00 0.00 175.76 174.68 3d2r s ILE 361 N -0.41 0.61 -0.12 0.00 2.07 -0.10 -0.37 121.20 122.89 3d2r s ILE 361 Ca 0.05 -0.17 -0.03 0.00 -1.41 0.00 0.00 60.65 59.09 3d2r s ILE 361 Cb -0.12 -0.62 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 3d2r s ILE 361 CO 0.02 0.24 0.01 -0.63 -1.91 0.00 0.00 174.94 172.67 3d2r s ILE 362 N 0.86 4.32 -0.07 2.00 1.01 0.16 -1.68 121.20 127.80 3d2r s ILE 362 Ca -0.12 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.36 3d2r s ILE 362 Cb -0.15 -2.86 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 3d2r s ILE 362 CO 0.01 0.55 -0.24 -0.31 0.00 0.00 0.00 174.94 174.95 3d2r s TYR 363 N -0.33 2.36 0.04 3.97 1.51 -0.04 -1.02 117.35 123.84 3d2r s TYR 363 Ca 0.07 -0.77 0.06 0.00 -1.01 0.00 0.00 57.07 55.41 3d2r s TYR 363 Cb -0.12 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.14 3d2r s TYR 363 CO 0.02 -0.26 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.52 3d2r s LEU 364 N 0.01 2.17 0.20 -1.29 1.43 -0.23 -1.12 118.68 119.85 3d2r s LEU 364 Ca -0.08 -0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 52.23 3d2r s LEU 364 Cb -0.15 -0.75 -0.10 0.00 0.03 0.00 0.00 46.19 45.23 3d2r s LEU 364 CO 0.05 0.08 1.47 -0.54 0.23 0.00 0.00 176.35 177.64 3d2r s LYS 365 N -1.17 4.26 0.20 1.70 -0.14 -1.26 -0.79 119.74 122.54 3d2r s LYS 365 Ca 0.04 2.27 0.25 0.00 -1.36 0.00 0.00 55.97 57.17 3d2r s LYS 365 Cb -0.08 -3.15 0.90 0.00 -1.68 0.00 0.00 37.83 33.81 3d2r s LYS 365 CO 0.02 -0.48 1.76 0.00 -0.76 0.00 0.00 175.35 175.88 3d2r n ALA 366 N 3.17 2.06 -3.07 5.17 0.00 0.05 -4.73 120.51 123.16 3d2r n ALA 366 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 3d2r n ALA 366 Cb 0.40 -1.43 -0.15 0.00 0.00 0.00 0.00 19.45 18.27 3d2r n ALA 366 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3d2r s LEU 367 N -4.31 2.66 0.36 0.00 1.43 -1.26 -4.68 118.68 112.87 3d2r s LEU 367 Ca 0.09 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3d2r s LEU 367 Cb 0.12 -1.59 0.67 0.00 0.03 0.00 0.00 46.19 45.41 3d2r s LEU 367 CO 0.51 0.17 1.96 0.77 0.23 0.00 0.00 176.35 179.99 3d2r h SER 368 N 6.67 0.57 0.46 2.29 4.64 -1.89 -1.42 113.55 124.86 3d2r h SER 368 Ca -0.25 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 60.98 3d2r h SER 368 Cb 1.21 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3d2r h SER 368 CO 0.55 0.51 -0.13 0.77 -0.87 0.00 0.00 176.83 177.65 3d2r h SER 369 N 0.63 0.00 0.17 4.97 4.64 -1.95 -2.55 113.55 119.46 3d2r h SER 369 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3d2r h SER 369 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3d2r h SER 369 CO -0.02 0.13 -0.78 -0.62 -0.87 0.00 0.00 176.83 174.68 3d2r n GLU 370 N -3.58 0.11 -2.78 4.77 1.02 -0.57 -4.69 120.64 114.92 3d2r n GLU 370 Ca -0.01 -0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 56.61 3d2r n GLU 370 Cb 0.27 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.18 3d2r n GLU 370 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3d2r s SER 371 N -2.95 6.77 -0.06 1.62 0.01 -0.98 -4.84 113.70 113.28 3d2r s SER 371 Ca 0.10 -2.27 0.03 0.00 1.31 0.00 0.00 55.95 55.12 3d2r s SER 371 Cb 0.17 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 3d2r s SER 371 CO 0.78 -1.09 -0.14 -0.63 0.41 0.00 0.00 173.24 172.57 3d2r s ILE 372 N 3.20 3.06 0.32 1.44 1.01 -1.26 -0.68 121.20 128.29 3d2r s ILE 372 Ca 0.43 -0.72 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 3d2r s ILE 372 Cb -0.01 -2.20 -0.11 0.00 0.01 0.00 0.00 42.46 40.15 3d2r s ILE 372 CO -0.03 0.59 1.51 -1.61 0.00 0.00 0.00 174.94 175.40 3d2r s GLU 373 N -0.65 4.15 -0.44 2.79 2.02 -0.26 -3.96 118.70 122.35 3d2r s GLU 373 Ca 0.10 2.52 -0.13 0.00 0.02 0.00 0.00 54.97 57.48 3d2r s GLU 373 Cb -0.11 -3.01 0.06 0.00 0.10 0.00 0.00 34.13 31.17 3d2r s GLU 373 CO 0.01 -0.54 0.32 0.21 0.02 0.00 0.00 175.26 175.27 3d2r s LYS 374 N -1.22 2.83 -0.02 1.61 2.20 0.12 -4.75 119.74 120.51 3d2r s LYS 374 Ca 0.58 -1.32 0.08 0.00 -0.36 0.00 0.00 55.97 54.95 3d2r s LYS 374 Cb -0.46 -3.95 -0.02 0.00 -1.51 0.00 0.00 37.83 31.89 3d2r s LYS 374 CO 0.54 -0.93 -0.26 -0.51 -0.36 0.00 0.00 175.35 173.83 3d2r s LEU 375 N 1.56 2.07 0.46 5.43 1.43 -1.26 -4.83 118.68 123.55 3d2r s LEU 375 Ca 0.03 -0.46 -0.22 0.00 -1.03 0.00 0.00 54.13 52.45 3d2r s LEU 375 Cb -0.23 -1.35 -0.08 0.00 0.03 0.00 0.00 46.19 44.57 3d2r s LEU 375 CO 0.05 0.32 1.10 -2.16 0.23 0.00 0.00 176.35 175.89 3d2r s PRO 376 N -0.59 3.81 -0.01 1.29 0.04 -1.26 -5.07 135.00 133.21 3d2r s PRO 376 Ca 0.09 1.58 0.02 0.00 0.04 0.00 0.00 61.00 62.73 3d2r s PRO 376 Cb -0.10 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 3d2r s PRO 376 CO -0.01 -0.47 -0.07 0.08 0.04 0.00 0.00 177.00 176.58 3d2r s VAL 377 N -1.72 0.54 -0.51 -0.36 1.01 -1.26 -4.85 120.40 113.25 3d2r s VAL 377 Ca 0.65 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 62.15 3d2r s VAL 377 Cb -0.23 -0.46 0.07 0.00 0.00 0.00 0.00 36.38 35.76 3d2r s VAL 377 CO 0.28 0.15 0.57 0.12 0.00 0.00 0.00 175.10 176.22 3d2r s PHE 378 N -0.17 3.10 0.22 5.22 5.36 -1.26 -4.67 117.98 125.78 3d2r s PHE 378 Ca 0.03 -0.73 0.04 0.00 -0.96 0.00 0.00 56.93 55.31 3d2r s PHE 378 Cb -0.03 -3.52 -0.02 0.00 -0.34 0.00 0.00 43.02 39.12 3d2r s PHE 378 CO -0.00 -1.01 0.15 0.27 -1.46 0.00 0.00 175.22 173.17 3d2r n ASN 379 N 5.90 -0.02 0.15 6.13 0.23 -1.26 -5.01 115.26 121.39 3d2r n ASN 379 Ca -0.09 -2.34 0.02 0.00 -0.53 0.00 0.00 54.58 51.65 3d2r n ASN 379 Cb 0.44 0.92 0.39 0.00 -2.08 0.00 0.00 39.78 39.45 3d2r n ASN 379 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3d2r h LYS 380 N 0.00 0.15 -0.16 -3.83 1.57 -2.00 -2.67 116.57 109.63 3d2r h LYS 380 Ca -0.16 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 3d2r h LYS 380 Cb 0.74 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3d2r h LYS 380 CO 0.24 0.37 -0.26 1.03 -0.57 0.00 0.00 179.45 180.25 3d2r h SER 381 N 0.14 0.29 -0.23 0.86 0.87 -1.95 0.16 113.55 113.69 3d2r h SER 381 Ca 0.03 -0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.37 3d2r h SER 381 Cb 0.47 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3d2r h SER 381 CO 0.03 0.56 -0.32 0.00 -0.53 0.00 0.00 176.83 176.57 3d2r h ALA 382 N 1.47 0.35 -0.11 6.23 0.00 -1.76 -2.99 119.26 122.45 3d2r h ALA 382 Ca 0.04 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.57 3d2r h ALA 382 Cb 0.61 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3d2r h ALA 382 CO 0.04 0.39 -0.09 0.35 0.00 0.00 0.00 179.25 179.95 3d2r h PHE 383 N 0.33 -0.21 -1.03 0.00 3.57 -1.13 -1.40 116.94 117.07 3d2r h PHE 383 Ca 0.03 0.02 0.29 0.00 3.53 0.00 0.00 57.97 61.84 3d2r h PHE 383 Cb 0.90 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 3d2r h PHE 383 CO 0.08 -0.13 0.73 0.87 -2.23 0.00 0.00 178.31 177.63 3d2r h LYS 384 N -0.10 0.05 0.00 1.11 1.57 -0.72 -0.11 116.57 118.38 3d2r h LYS 384 Ca 0.07 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 3d2r h LYS 384 Cb 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3d2r h LYS 384 CO -0.17 0.04 -0.35 1.25 -0.57 0.00 0.00 179.45 179.64 3d2r h HIS 385 N 0.06 0.00 -0.21 -1.35 2.76 -1.10 -3.51 115.15 111.79 3d2r h HIS 385 Ca 0.50 0.00 -0.71 0.00 -2.20 0.00 0.00 60.37 57.96 3d2r h HIS 385 Cb 1.91 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.81 3d2r h HIS 385 CO -0.00 0.35 2.95 0.66 -1.30 0.00 0.00 177.93 180.59 3d2r n TYR 386 N -3.32 3.59 -3.65 5.26 4.01 -0.06 -4.99 117.16 117.99 3d2r n TYR 386 Ca 0.01 -2.95 -0.15 0.00 -0.16 0.00 0.00 57.90 54.65 3d2r n TYR 386 Cb 0.58 -2.51 -0.08 0.00 -0.31 0.00 0.00 39.34 37.03 3d2r n TYR 386 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3d2r s ASP 393 N 3.06 -0.45 0.50 7.72 -1.08 -1.26 -5.08 116.67 120.08 3d2r s ASP 393 Ca 0.47 0.55 0.29 0.00 -0.52 0.00 0.00 52.55 53.34 3d2r s ASP 393 Cb 0.13 0.57 1.13 0.00 -1.46 0.00 0.00 42.92 43.29 3d2r s ASP 393 CO -0.07 -0.45 1.90 -2.24 0.52 0.00 0.00 175.17 174.83 3d2r h ASP 394 N 3.87 0.00 -4.31 -0.34 2.03 -2.17 -3.42 116.42 112.08 3d2r h ASP 394 Ca -0.28 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.46 3d2r h ASP 394 Cb 1.16 0.00 -0.27 0.00 -0.83 0.00 0.00 39.33 39.40 3d2r h ASP 394 CO 0.34 0.08 -0.83 0.26 -1.03 0.00 0.00 179.24 178.07 3d2r s TRP 395 N -3.63 1.67 0.18 4.15 0.52 -1.26 -5.11 118.94 115.46 3d2r s TRP 395 Ca 0.01 -0.35 -0.32 0.00 0.02 0.00 0.00 56.10 55.46 3d2r s TRP 395 Cb 0.09 -1.02 -0.11 0.00 -1.15 0.00 0.00 33.47 31.28 3d2r s TRP 395 CO 0.59 0.05 1.64 0.00 0.02 0.00 0.00 176.95 179.25