#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5r s SER 3 N 0.00 5.74 0.50 1.61 0.01 -1.26 -5.07 113.70 115.23 3d5r s SER 3 Ca 0.00 -0.28 -0.23 0.00 1.31 0.00 0.00 55.95 56.75 3d5r s SER 3 Cb 0.00 -1.20 -0.07 0.00 0.21 0.00 0.00 66.02 64.96 3d5r s SER 3 CO 0.00 -0.35 1.33 0.54 0.41 0.00 0.00 173.24 175.17 3d5r n ARG 4 N -1.50 1.82 -1.42 12.44 3.00 -1.26 -4.98 116.66 124.75 3d5r n ARG 4 Ca -0.02 0.66 -0.30 0.00 -0.01 0.00 0.00 57.85 58.18 3d5r n ARG 4 Cb 0.59 -2.52 0.11 0.00 0.00 0.00 0.00 32.46 30.63 3d5r n ARG 4 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3d5r s SER 5 N -0.75 4.14 -0.13 0.55 0.15 -1.26 -5.00 113.70 111.40 3d5r s SER 5 Ca 0.67 1.39 -0.26 0.00 0.70 0.00 0.00 55.95 58.45 3d5r s SER 5 Cb -0.44 -2.10 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 3d5r s SER 5 CO 0.53 -2.20 0.85 -0.89 1.20 0.00 0.00 173.24 172.72 3d5r s THR 6 N -3.07 4.89 -0.20 6.45 2.01 -1.26 -4.97 115.64 119.49 3d5r s THR 6 Ca 0.62 1.69 -0.38 0.00 0.31 0.00 0.00 61.69 63.93 3d5r s THR 6 Cb -0.16 -4.16 -0.15 0.00 0.01 0.00 0.00 72.50 68.05 3d5r s THR 6 CO 0.55 0.07 1.76 -0.67 -0.69 0.00 0.00 174.62 175.64 3d5r n ASP 7 N 4.88 2.67 0.02 3.53 2.03 -1.26 -4.84 116.55 123.59 3d5r n ASP 7 Ca 0.04 1.05 0.20 0.00 0.52 0.00 0.00 54.79 56.61 3d5r n ASP 7 Cb 0.49 -1.21 0.72 0.00 -0.72 0.00 0.00 41.12 40.39 3d5r n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3d5r h ALA 8 N 7.64 2.39 0.00 -1.67 0.00 -1.93 -0.11 119.26 125.58 3d5r h ALA 8 Ca -0.47 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3d5r h ALA 8 Cb 1.30 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3d5r h ALA 8 CO 0.95 -0.65 -0.15 1.49 0.00 0.00 0.00 179.25 180.89 3d5r h GLU 9 N 0.00 0.00 0.00 0.00 4.57 -1.94 -0.48 114.58 116.73 3d5r h GLU 9 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3d5r h GLU 9 Cb 1.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 3d5r h GLU 9 CO -0.00 0.15 0.00 0.54 -1.18 0.00 0.00 179.01 178.51 3d5r n ARG 10 N -3.82 0.33 -0.01 1.92 5.12 -0.05 -3.41 116.66 116.75 3d5r n ARG 10 Ca -0.02 0.05 0.04 0.00 -1.93 0.00 0.00 57.85 55.99 3d5r n ARG 10 Cb 0.25 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.08 3d5r n ARG 10 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3d5r n LEU 11 N -1.30 1.69 0.18 0.55 4.77 -0.19 -4.67 117.00 118.03 3d5r n LEU 11 Ca 0.11 -1.08 0.17 0.00 -0.03 0.00 0.00 56.01 55.18 3d5r n LEU 11 Cb 0.20 -0.01 0.79 0.00 -2.33 0.00 0.00 43.42 42.07 3d5r n LEU 11 CO 0.19 0.35 1.14 0.07 -1.33 0.00 0.00 177.39 177.82 3d5r h LYS 12 N 1.44 0.00 0.00 3.23 2.10 -1.56 0.67 116.57 122.44 3d5r h LYS 12 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3d5r h LYS 12 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 3d5r h LYS 12 CO 0.00 0.00 0.00 -2.39 -2.00 0.00 0.00 179.45 175.06 3d5r n HIS 13 N -3.96 0.00 1.27 0.07 1.44 -1.26 -3.10 115.22 109.68 3d5r n HIS 13 Ca 0.02 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.87 3d5r n HIS 13 Cb 0.33 -0.29 0.52 0.00 0.12 0.00 0.00 29.99 30.68 3d5r n HIS 13 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3d5r n LEU 14 N -1.29 0.51 -4.47 2.39 4.77 0.23 -4.62 117.00 114.52 3d5r n LEU 14 Ca 0.12 0.02 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 3d5r n LEU 14 Cb 0.20 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 3d5r n LEU 14 CO 0.19 0.10 0.75 -0.63 -1.33 0.00 0.00 177.39 176.48 3d5r s ILE 15 N -2.62 4.33 0.17 -0.08 1.01 -1.18 -1.51 121.20 121.32 3d5r s ILE 15 Ca 0.24 -0.25 0.10 0.00 0.00 0.00 0.00 60.65 60.73 3d5r s ILE 15 Cb 0.19 -4.66 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 3d5r s ILE 15 CO 0.52 -1.41 -0.21 -0.69 0.00 0.00 0.00 174.94 173.16 3d5r s VAL 16 N 4.06 2.01 -0.20 2.92 1.01 -1.26 -5.01 120.40 123.93 3d5r s VAL 16 Ca 0.23 -1.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.08 3d5r s VAL 16 Cb -0.16 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3d5r s VAL 16 CO 0.12 -0.19 0.74 -0.89 0.00 0.00 0.00 175.10 174.87 3d5r s THR 17 N -1.75 4.93 0.15 3.92 2.01 -1.26 -4.82 115.64 118.81 3d5r s THR 17 Ca 0.16 1.41 -0.30 0.00 0.31 0.00 0.00 61.69 63.27 3d5r s THR 17 Cb -0.07 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.33 3d5r s THR 17 CO 0.07 0.03 0.98 -2.16 -0.69 0.00 0.00 174.62 172.86 3d5r s PRO 18 N 2.25 4.71 0.26 4.92 0.04 -1.26 -4.87 135.00 141.05 3d5r s PRO 18 Ca 0.33 1.51 -0.10 0.00 0.04 0.00 0.00 61.00 62.78 3d5r s PRO 18 Cb -0.16 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 3d5r s PRO 18 CO 0.10 0.24 0.46 -1.54 0.04 0.00 0.00 177.00 176.30 3d5r s SER 19 N -0.23 0.09 0.00 6.66 1.04 -1.26 -4.89 113.70 115.12 3d5r s SER 19 Ca 0.46 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.83 3d5r s SER 19 Cb -0.25 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3d5r s SER 19 CO 0.31 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.98 3d5r n GLY 20 N -0.41 -1.80 0.00 7.32 0.00 -1.26 -2.35 105.19 106.69 3d5r n GLY 20 Ca -0.01 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3d5r n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5r n ALA 21 N 0.22 0.00 -0.22 4.61 0.00 -1.26 -4.43 120.51 119.42 3d5r n ALA 21 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.72 3d5r n ALA 21 Cb 0.00 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.13 3d5r n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3d5r h GLY 22 N 0.00 0.21 0.04 0.00 0.00 -1.01 0.02 103.07 102.32 3d5r h GLY 22 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 47.33 46.94 3d5r h GLY 22 CO 0.00 -0.01 -1.94 1.18 0.00 0.00 0.00 176.54 175.76 3d5r n GLU 23 N -4.31 0.59 -0.26 4.80 1.02 -1.26 -4.21 120.64 117.00 3d5r n GLU 23 Ca 0.20 0.40 0.01 0.00 -0.02 0.00 0.00 57.16 57.74 3d5r n GLU 23 Cb 0.97 -1.62 0.22 0.00 -0.02 0.00 0.00 31.44 30.98 3d5r n GLU 23 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3d5r h GLN 24 N -0.89 1.06 -0.89 3.49 5.75 -1.79 -1.69 115.11 120.16 3d5r h GLN 24 Ca -0.53 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 57.91 3d5r h GLN 24 Cb 1.52 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 29.79 3d5r h GLN 24 CO -0.29 0.70 0.54 -0.97 -2.65 0.00 0.00 178.83 176.17 3d5r h ASN 25 N 1.09 1.06 0.75 -0.69 -1.24 -0.59 -1.34 115.58 114.62 3d5r h ASN 25 Ca 0.31 -0.06 -0.12 0.00 0.71 0.00 0.00 56.30 57.15 3d5r h ASN 25 Cb -0.08 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.69 3d5r h ASN 25 CO -0.08 0.80 -0.57 0.24 -1.29 0.00 0.00 177.43 176.54 3d5r h MET 26 N 1.22 0.00 -0.60 6.67 2.86 -1.51 -0.31 114.93 123.26 3d5r h MET 26 Ca 0.32 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.89 3d5r h MET 26 Cb -0.07 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3d5r h MET 26 CO -0.06 0.57 0.11 0.82 1.06 0.00 0.00 176.91 179.40 3d5r h ILE 27 N 0.00 1.25 0.09 -1.22 1.08 -0.49 -1.61 117.51 116.60 3d5r h ILE 27 Ca -0.01 -0.95 -0.26 0.00 -0.39 0.00 0.00 64.86 63.26 3d5r h ILE 27 Cb 1.10 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 3d5r h ILE 27 CO 0.07 0.35 -1.13 1.23 -0.69 0.00 0.00 178.15 177.98 3d5r h GLY 28 N 1.02 0.34 1.26 5.37 0.00 -1.03 -3.32 103.07 106.71 3d5r h GLY 28 Ca 0.19 -0.77 -0.09 0.00 0.00 0.00 0.00 47.33 46.66 3d5r h GLY 28 CO 0.01 0.67 -0.03 1.98 0.00 0.00 0.00 176.54 179.17 3d5r h MET 29 N 0.12 0.89 -0.10 4.80 -1.53 -0.89 -3.35 114.93 114.87 3d5r h MET 29 Ca -0.11 -0.27 0.02 0.00 -3.44 0.00 0.00 59.70 55.90 3d5r h MET 29 Cb 1.83 -0.09 -0.05 0.00 -0.55 0.00 0.00 31.60 32.74 3d5r h MET 29 CO 0.19 0.91 -0.44 1.15 0.14 0.00 0.00 176.91 178.85 3d5r h THR 30 N 0.82 0.00 -0.69 -0.77 2.02 -1.39 -1.46 112.91 111.44 3d5r h THR 30 Ca 0.15 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.40 3d5r h THR 30 Cb 0.53 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.88 3d5r h THR 30 CO 0.03 0.00 0.37 1.55 0.37 0.00 0.00 175.52 177.84 3d5r h PRO 31 N -0.48 0.63 -0.07 6.66 0.13 -1.74 -1.54 132.00 135.58 3d5r h PRO 31 Ca 0.02 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3d5r h PRO 31 Cb 0.56 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 3d5r h PRO 31 CO -0.35 0.42 0.03 1.15 -0.23 0.00 0.00 178.00 179.02 3d5r h THR 32 N 0.65 1.13 -0.31 1.56 2.02 -1.11 0.15 112.91 117.00 3d5r h THR 32 Ca 0.32 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 67.13 3d5r h THR 32 Cb 0.27 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 3d5r h THR 32 CO -0.22 0.11 0.15 0.58 0.37 0.00 0.00 175.52 176.51 3d5r h VAL 33 N -0.04 0.99 -0.11 3.16 2.07 -1.03 -1.87 116.25 119.42 3d5r h VAL 33 Ca 0.02 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 67.30 3d5r h VAL 33 Cb 0.15 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3d5r h VAL 33 CO -0.00 0.06 -0.53 -0.29 0.02 0.00 0.00 177.57 176.83 3d5r h ILE 34 N 0.32 1.35 -0.05 4.57 6.09 -1.15 -0.88 117.51 127.77 3d5r h ILE 34 Ca 0.13 -1.80 -0.00 0.00 -1.37 0.00 0.00 64.86 61.81 3d5r h ILE 34 Cb 0.04 1.85 -0.00 0.00 0.47 0.00 0.00 36.82 39.19 3d5r h ILE 34 CO -0.09 0.54 0.02 0.00 -3.07 0.00 0.00 178.15 175.55 3d5r h ALA 35 N 1.21 0.06 -0.67 0.18 0.00 -0.48 0.76 119.26 120.31 3d5r h ALA 35 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3d5r h ALA 35 Cb 1.01 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3d5r h ALA 35 CO 0.09 -0.37 0.32 0.28 0.00 0.00 0.00 179.25 179.56 3d5r h VAL 36 N -0.06 1.23 -0.50 0.00 2.07 -1.26 0.18 116.25 117.91 3d5r h VAL 36 Ca 0.02 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 66.95 3d5r h VAL 36 Cb 0.14 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 3d5r h VAL 36 CO -0.00 0.27 0.16 -0.74 0.02 0.00 0.00 177.57 177.28 3d5r h HIS 37 N 0.94 0.28 -0.28 1.57 6.17 -0.85 0.12 115.15 123.10 3d5r h HIS 37 Ca 0.23 0.03 -0.16 0.00 0.71 0.00 0.00 60.37 61.18 3d5r h HIS 37 Cb 0.13 -0.05 -0.00 0.00 2.52 0.00 0.00 27.41 30.01 3d5r h HIS 37 CO 0.01 0.08 -0.45 -0.92 0.71 0.00 0.00 177.93 177.36 3d5r h TYR 38 N 0.33 0.98 -0.07 5.26 3.20 -0.39 -2.59 116.97 123.70 3d5r h TYR 38 Ca 0.24 -0.34 -0.09 0.00 3.14 0.00 0.00 58.73 61.69 3d5r h TYR 38 Cb 0.27 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3d5r h TYR 38 CO -0.17 1.14 -0.37 -0.07 -1.64 0.00 0.00 178.16 177.04 3d5r h LEU 39 N 0.55 0.14 0.20 2.82 3.38 -0.32 -1.49 115.31 120.59 3d5r h LEU 39 Ca 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3d5r h LEU 39 Cb 1.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3d5r h LEU 39 CO 0.10 0.51 -0.10 0.44 0.09 0.00 0.00 178.44 179.48 3d5r h ASP 40 N 0.12 -0.23 -0.75 -0.43 5.19 -0.75 -1.41 116.42 118.17 3d5r h ASP 40 Ca 0.01 -0.24 0.01 0.00 -0.62 0.00 0.00 57.03 56.19 3d5r h ASP 40 Cb 0.72 0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.25 3d5r h ASP 40 CO 0.05 0.14 0.49 -0.08 -3.12 0.00 0.00 179.24 176.72 3d5r h GLU 41 N -0.63 0.99 -0.09 3.56 4.22 -1.36 -1.89 114.58 119.38 3d5r h GLU 41 Ca -0.03 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.35 3d5r h GLU 41 Cb 0.46 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3d5r h GLU 41 CO 0.05 0.66 0.00 0.25 -2.18 0.00 0.00 179.01 177.78 3d5r n THR 42 N -4.56 0.11 -3.83 0.32 -2.24 -0.57 -4.92 114.28 98.58 3d5r n THR 42 Ca 0.07 -0.21 -0.38 0.00 -2.27 0.00 0.00 64.05 61.26 3d5r n THR 42 Cb 0.02 0.14 0.03 0.00 -2.10 0.00 0.00 70.33 68.42 3d5r n THR 42 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d5r n GLU 43 N -0.11 -0.83 -0.20 -0.78 1.02 -0.60 -4.89 120.64 114.25 3d5r n GLU 43 Ca 0.16 0.31 0.06 0.00 -0.02 0.00 0.00 57.16 57.67 3d5r n GLU 43 Cb 0.24 -3.48 0.15 0.00 -0.02 0.00 0.00 31.44 28.34 3d5r n GLU 43 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3d5r n GLN 44 N -4.50 2.80 -0.06 3.49 6.02 -0.79 -4.63 117.38 119.71 3d5r n GLN 44 Ca -0.10 -2.18 -0.13 0.00 -0.01 0.00 0.00 57.00 54.58 3d5r n GLN 44 Cb 0.58 -1.37 -0.01 0.00 1.02 0.00 0.00 30.24 30.46 3d5r n GLN 44 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 3d5r h TRP 45 N 1.47 0.98 0.60 1.08 4.06 -1.91 -3.11 115.95 119.12 3d5r h TRP 45 Ca 0.00 -0.34 -0.03 0.00 2.06 0.00 0.00 58.89 60.58 3d5r h TRP 45 Cb 0.88 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.85 3d5r h TRP 45 CO 0.24 1.14 -0.33 0.93 -3.56 0.00 0.00 178.44 176.86 3d5r h GLU 46 N 0.60 -0.82 -2.11 0.49 5.08 -1.91 1.31 114.58 117.21 3d5r h GLU 46 Ca 0.02 0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3d5r h GLU 46 Cb 1.12 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 3d5r h GLU 46 CO 0.11 -0.55 -0.10 1.63 -1.00 0.00 0.00 179.01 179.11 3d5r n LYS 47 N -4.42 1.16 0.00 2.33 5.02 -1.24 -3.45 118.16 117.56 3d5r n LYS 47 Ca -0.11 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 3d5r n LYS 47 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3d5r n LYS 47 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3d5r n PHE 48 N 2.11 0.00 0.00 2.13 7.35 -0.90 -4.98 117.46 123.16 3d5r n PHE 48 Ca 0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 3d5r n PHE 48 Cb 0.55 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.38 3d5r n PHE 48 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3d5r n GLY 49 N -0.48 0.02 0.39 7.13 0.00 0.44 -4.95 105.19 107.73 3d5r n GLY 49 Ca 0.00 -0.08 0.19 0.00 0.00 0.00 0.00 46.02 46.13 3d5r n GLY 49 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3d5r h LEU 50 N 0.00 0.00 0.00 0.99 6.46 -1.48 0.38 115.31 121.65 3d5r h LEU 50 Ca 0.00 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.64 3d5r h LEU 50 Cb 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 3d5r h LEU 50 CO 0.00 0.00 -0.75 1.05 -0.62 0.00 0.00 178.44 178.12 3d5r h GLU 51 N 0.00 0.00 0.00 1.25 -0.00 -1.95 -3.24 114.58 110.65 3d5r h GLU 51 Ca 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.50 3d5r h GLU 51 Cb 1.26 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.00 3d5r h GLU 51 CO -0.00 0.47 -0.11 0.87 -0.00 0.00 0.00 179.01 180.24 3d5r h LYS 52 N 0.00 0.00 -0.23 1.06 1.57 -0.60 -2.91 116.57 115.45 3d5r h LYS 52 Ca -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3d5r h LYS 52 Cb 1.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 3d5r h LYS 52 CO 0.06 0.11 0.05 -0.09 -0.57 0.00 0.00 179.45 179.02 3d5r h ARG 53 N 0.00 0.37 -0.56 3.15 2.43 -1.58 -0.46 114.38 117.74 3d5r h ARG 53 Ca -0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3d5r h ARG 53 Cb 0.35 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 3d5r h ARG 53 CO 0.01 0.49 0.37 0.37 -1.51 0.00 0.00 179.97 179.70 3d5r h GLN 54 N 0.19 0.74 -0.38 0.20 5.75 -1.69 0.24 115.11 120.16 3d5r h GLN 54 Ca 0.07 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 3d5r h GLN 54 Cb 0.29 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 3d5r h GLN 54 CO 0.00 0.49 0.09 0.78 -2.65 0.00 0.00 178.83 177.55 3d5r h GLY 55 N 0.76 0.66 1.02 2.39 0.00 -1.42 -0.64 103.07 105.86 3d5r h GLY 55 Ca 0.20 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3d5r h GLY 55 CO -0.04 0.39 0.29 0.00 0.00 0.00 0.00 176.54 177.17 3d5r h ALA 56 N 0.94 0.93 -0.98 3.60 0.00 0.18 -1.88 119.26 122.04 3d5r h ALA 56 Ca 0.12 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3d5r h ALA 56 Cb 0.31 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3d5r h ALA 56 CO 0.00 0.54 0.64 -0.07 0.00 0.00 0.00 179.25 180.37 3d5r h LEU 57 N 1.02 1.07 -0.83 0.00 4.07 -0.27 -0.43 115.31 119.93 3d5r h LEU 57 Ca 0.24 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.15 3d5r h LEU 57 Cb 0.20 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.66 3d5r h LEU 57 CO -0.02 0.73 0.38 -0.08 -1.08 0.00 0.00 178.44 178.37 3d5r h GLU 58 N 1.23 1.20 -0.08 1.13 4.57 -0.37 -0.35 114.58 121.93 3d5r h GLU 58 Ca 0.39 -0.19 -0.11 0.00 -1.18 0.00 0.00 59.36 58.28 3d5r h GLU 58 Cb 0.02 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 3d5r h GLU 58 CO -0.13 0.94 -0.44 -0.07 -1.18 0.00 0.00 179.01 178.13 3d5r h LEU 59 N 1.19 0.18 -0.20 1.64 3.38 -0.52 -1.41 115.31 119.56 3d5r h LEU 59 Ca 0.28 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 3d5r h LEU 59 Cb 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3d5r h LEU 59 CO -0.03 0.61 -0.57 0.40 0.09 0.00 0.00 178.44 178.93 3d5r h ILE 60 N 0.14 1.30 -0.80 1.22 2.04 -0.57 -0.29 117.51 120.55 3d5r h ILE 60 Ca 0.01 -1.79 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 3d5r h ILE 60 Cb 0.84 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.75 3d5r h ILE 60 CO 0.07 0.57 0.42 0.11 0.00 0.00 0.00 178.15 179.32 3d5r h LYS 61 N 0.47 1.12 -0.50 2.37 1.57 -0.92 0.34 116.57 121.03 3d5r h LYS 61 Ca -0.01 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3d5r h LYS 61 Cb 1.19 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 3d5r h LYS 61 CO 0.12 0.84 0.25 -0.22 -0.57 0.00 0.00 179.45 179.87 3d5r h LYS 62 N 1.13 0.71 -0.48 3.15 3.64 -1.03 -1.06 116.57 122.62 3d5r h LYS 62 Ca 0.28 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3d5r h LYS 62 Cb 0.05 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3d5r h LYS 62 CO -0.04 0.59 0.06 0.78 -2.27 0.00 0.00 179.45 178.56 3d5r h GLY 63 N 0.66 0.88 0.82 5.01 0.00 -0.33 -2.00 103.07 108.11 3d5r h GLY 63 Ca 0.17 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3d5r h GLY 63 CO -0.02 0.55 -0.14 -1.82 0.00 0.00 0.00 176.54 175.11 3d5r h TYR 64 N 0.68 -0.37 -0.32 5.60 3.20 -0.68 0.56 116.97 125.63 3d5r h TYR 64 Ca 0.14 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3d5r h TYR 64 Cb 0.42 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 3d5r h TYR 64 CO 0.03 -0.22 0.20 1.15 -1.64 0.00 0.00 178.16 177.68 3d5r h THR 65 N -0.31 1.07 -0.62 1.81 2.02 -1.16 -2.28 112.91 113.43 3d5r h THR 65 Ca 0.01 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3d5r h THR 65 Cb 0.30 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 3d5r h THR 65 CO -0.04 0.08 0.34 1.56 0.37 0.00 0.00 175.52 177.83 3d5r h GLN 66 N 0.42 0.85 -0.10 6.66 4.20 -1.21 -1.93 115.11 124.00 3d5r h GLN 66 Ca 0.12 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 3d5r h GLN 66 Cb -0.03 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3d5r h GLN 66 CO -0.04 0.62 -0.26 0.37 -0.67 0.00 0.00 178.83 178.86 3d5r h GLN 67 N 0.86 0.17 0.00 1.46 5.75 -0.38 -2.47 115.11 120.50 3d5r h GLN 67 Ca 0.22 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 3d5r h GLN 67 Cb 0.02 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 3d5r h GLN 67 CO -0.04 0.43 -0.05 -0.07 -2.65 0.00 0.00 178.83 176.45 3d5r h LEU 68 N 0.16 0.00 0.00 -2.39 3.38 -0.80 -0.71 115.31 114.95 3d5r h LEU 68 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3d5r h LEU 68 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3d5r h LEU 68 CO 0.04 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3d5r n ALA 69 N -2.21 1.62 -0.07 1.53 0.00 -0.93 -2.15 120.51 118.30 3d5r n ALA 69 Ca -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.41 3d5r n ALA 69 Cb 0.16 -1.22 0.09 0.00 0.00 0.00 0.00 19.45 18.49 3d5r n ALA 69 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3d5r n PHE 70 N -1.49 0.27 -2.54 0.00 3.72 -0.27 -4.77 117.46 112.38 3d5r n PHE 70 Ca 0.03 -0.44 -0.43 0.00 -0.05 0.00 0.00 57.45 56.57 3d5r n PHE 70 Cb 0.15 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 3d5r n PHE 70 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3d5r s ARG 71 N -0.95 4.28 0.59 -1.08 3.52 -0.91 -3.96 118.95 120.44 3d5r s ARG 71 Ca 0.15 1.53 -0.07 0.00 -0.13 0.00 0.00 55.73 57.21 3d5r s ARG 71 Cb 0.08 -3.66 -0.00 0.00 -1.56 0.00 0.00 34.95 29.80 3d5r s ARG 71 CO 0.10 -0.59 0.92 -0.65 -0.81 0.00 0.00 175.30 174.28 3d5r s GLN 72 N 3.00 3.08 0.56 5.12 -0.21 0.59 -4.91 119.66 126.89 3d5r s GLN 72 Ca 0.51 0.17 0.33 0.00 0.02 0.00 0.00 55.36 56.38 3d5r s GLN 72 Cb -0.20 -2.23 1.47 0.00 1.00 0.00 0.00 33.01 33.05 3d5r s GLN 72 CO 0.13 -0.65 1.81 -1.35 -2.12 0.00 0.00 175.29 173.11 3d5r h PRO 73 N -0.19 0.00 0.00 2.91 0.11 -1.93 0.29 132.00 133.19 3d5r h PRO 73 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3d5r h PRO 73 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3d5r h PRO 73 CO 0.61 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 3d5r n SER 74 N -4.00 0.00 0.00 -2.05 3.41 -1.26 -4.89 113.62 104.83 3d5r n SER 74 Ca 0.19 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3d5r n SER 74 Cb 1.04 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3d5r n SER 74 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3d5r n SER 75 N -1.47 0.00 -4.93 4.04 7.64 0.10 -4.73 113.62 114.27 3d5r n SER 75 Ca 0.08 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.71 3d5r n SER 75 Cb 0.32 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.57 3d5r n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d5r s ALA 76 N -2.90 3.31 0.12 -0.43 0.00 -1.26 -4.00 121.76 116.62 3d5r s ALA 76 Ca 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.14 3d5r s ALA 76 Cb 0.00 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 3d5r s ALA 76 CO 0.00 -1.04 -0.19 -0.06 0.00 0.00 0.00 175.76 174.47 3d5r s PHE 77 N -3.08 1.74 0.23 0.00 0.40 -1.26 -0.30 117.98 115.71 3d5r s PHE 77 Ca 0.57 -0.45 -0.14 0.00 -0.60 0.00 0.00 56.93 56.31 3d5r s PHE 77 Cb -0.11 -0.92 0.01 0.00 0.51 0.00 0.00 43.02 42.51 3d5r s PHE 77 CO 0.44 0.24 0.50 0.00 0.70 0.00 0.00 175.22 177.09 3d5r s ALA 78 N -1.56 -0.48 0.42 5.36 0.00 -1.25 -1.35 121.76 122.89 3d5r s ALA 78 Ca 0.10 -0.67 0.09 0.00 0.00 0.00 0.00 51.96 51.48 3d5r s ALA 78 Cb -0.08 0.97 0.90 0.00 0.00 0.00 0.00 23.12 24.92 3d5r s ALA 78 CO 0.05 -0.84 2.03 0.00 0.00 0.00 0.00 175.76 177.00 3d5r h ALA 79 N 2.24 1.80 -3.59 0.00 0.00 -1.90 -3.38 119.26 114.43 3d5r h ALA 79 Ca -0.26 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.27 3d5r h ALA 79 Cb 1.25 -0.14 -0.24 0.00 0.00 0.00 0.00 17.79 18.65 3d5r h ALA 79 CO 0.36 0.14 -0.76 -0.06 0.00 0.00 0.00 179.25 178.93 3d5r s PHE 80 N -5.47 0.86 0.62 0.00 0.08 -1.26 -0.58 117.98 112.22 3d5r s PHE 80 Ca -0.08 -0.34 0.32 0.00 0.12 0.00 0.00 56.93 56.95 3d5r s PHE 80 Cb 0.18 -0.52 1.84 0.00 -0.57 0.00 0.00 43.02 43.96 3d5r s PHE 80 CO 0.74 -0.02 2.16 -0.39 -0.10 0.00 0.00 175.22 177.61 3d5r h VAL 81 N 4.62 0.32 -0.05 -0.44 -1.51 -1.85 -1.35 116.25 116.00 3d5r h VAL 81 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 3d5r h VAL 81 Cb 1.19 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 3d5r h VAL 81 CO 0.44 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 177.07 3d5r n LYS 82 N -3.54 2.25 -2.89 5.19 4.76 -1.26 -4.89 118.16 117.79 3d5r n LYS 82 Ca -0.01 -1.91 -0.37 0.00 -2.87 0.00 0.00 58.31 53.15 3d5r n LYS 82 Cb 0.24 -1.45 -0.06 0.00 -1.84 0.00 0.00 35.03 31.92 3d5r n LYS 82 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3d5r s ARG 83 N -1.91 4.47 0.23 1.97 3.52 -0.51 -4.98 118.95 121.74 3d5r s ARG 83 Ca 0.28 1.17 -0.31 0.00 -0.13 0.00 0.00 55.73 56.74 3d5r s ARG 83 Cb 0.20 -2.82 -0.13 0.00 -1.56 0.00 0.00 34.95 30.64 3d5r s ARG 83 CO 0.29 0.31 1.44 0.00 -0.81 0.00 0.00 175.30 176.54 3d5r n ALA 84 N 0.59 1.23 -1.75 6.12 0.00 -1.26 -4.81 120.51 120.63 3d5r n ALA 84 Ca 0.01 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.44 3d5r n ALA 84 Cb 0.50 -2.30 -0.00 0.00 0.00 0.00 0.00 19.45 17.66 3d5r n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3d5r n PRO 85 N 2.21 2.54 -3.46 0.00 -0.04 -1.26 -4.82 135.00 130.17 3d5r n PRO 85 Ca 0.12 0.89 -0.37 0.00 -0.04 0.00 0.00 63.50 64.10 3d5r n PRO 85 Cb 0.31 -2.59 -0.07 0.00 -0.04 0.00 0.00 33.50 31.12 3d5r n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3d5r s SER 86 N -0.14 6.52 0.01 3.54 0.15 -0.46 -4.20 113.70 119.12 3d5r s SER 86 Ca 0.54 0.61 -0.25 0.00 0.70 0.00 0.00 55.95 57.56 3d5r s SER 86 Cb -0.50 -2.22 -0.18 0.00 -1.71 0.00 0.00 66.02 61.41 3d5r s SER 86 CO 0.63 0.06 1.40 0.74 1.20 0.00 0.00 173.24 177.27 3d5r h THR 87 N 4.71 1.18 0.04 6.45 2.02 -1.84 -1.84 112.91 123.62 3d5r h THR 87 Ca -0.41 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.04 3d5r h THR 87 Cb 1.17 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 3d5r h THR 87 CO 0.76 0.19 -0.07 -0.25 0.37 0.00 0.00 175.52 176.51 3d5r h TRP 88 N -0.39 -0.19 -0.83 3.16 7.01 -1.91 -1.58 115.95 121.23 3d5r h TRP 88 Ca -0.01 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 3d5r h TRP 88 Cb 0.35 0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.45 3d5r h TRP 88 CO 0.04 -0.12 0.48 1.25 -2.79 0.00 0.00 178.44 177.30 3d5r h LEU 89 N -0.15 1.00 -0.72 0.65 5.85 -1.88 0.19 115.31 120.26 3d5r h LEU 89 Ca 0.02 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3d5r h LEU 89 Cb 0.16 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3d5r h LEU 89 CO -0.05 0.79 0.29 0.74 -0.34 0.00 0.00 178.44 179.87 3d5r h THR 90 N 1.14 1.25 -0.33 1.05 2.02 -1.17 0.40 112.91 117.26 3d5r h THR 90 Ca 0.29 -0.77 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 3d5r h THR 90 Cb -0.02 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 3d5r h THR 90 CO -0.05 0.31 -0.19 0.00 0.37 0.00 0.00 175.52 175.95 3d5r h ALA 91 N 1.14 1.05 -0.34 6.16 0.00 -0.71 -2.15 119.26 124.41 3d5r h ALA 91 Ca 0.24 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3d5r h ALA 91 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3d5r h ALA 91 CO -0.02 0.57 -0.42 -0.92 0.00 0.00 0.00 179.25 178.46 3d5r h TYR 92 N 0.55 1.03 -0.55 0.00 3.20 0.08 -0.44 116.97 120.84 3d5r h TYR 92 Ca 0.09 -0.32 -0.04 0.00 3.14 0.00 0.00 58.73 61.60 3d5r h TYR 92 Cb 0.64 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 3d5r h TYR 92 CO 0.03 1.13 0.18 0.28 -1.64 0.00 0.00 178.16 178.14 3d5r h VAL 93 N 0.69 1.21 -0.44 1.81 2.07 -0.76 0.14 116.25 120.98 3d5r h VAL 93 Ca 0.05 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 3d5r h VAL 93 Cb 1.01 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3d5r h VAL 93 CO 0.10 0.27 -0.09 0.58 0.02 0.00 0.00 177.57 178.45 3d5r h VAL 94 N 0.79 1.27 0.07 2.57 2.07 -1.06 0.42 116.25 122.39 3d5r h VAL 94 Ca 0.18 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3d5r h VAL 94 Cb 0.21 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3d5r h VAL 94 CO -0.01 0.41 -0.03 0.50 0.02 0.00 0.00 177.57 178.45 3d5r h LYS 95 N 0.67 -0.09 0.03 1.57 3.64 -0.41 -1.04 116.57 120.94 3d5r h LYS 95 Ca 0.11 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3d5r h LYS 95 Cb 0.62 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3d5r h LYS 95 CO 0.04 -0.04 -0.01 0.28 -2.27 0.00 0.00 179.45 177.45 3d5r h VAL 96 N -0.12 1.24 -0.31 2.00 2.07 -0.95 -3.04 116.25 117.14 3d5r h VAL 96 Ca -0.01 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.71 3d5r h VAL 96 Cb 0.09 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3d5r h VAL 96 CO 0.02 0.21 0.21 -0.26 0.02 0.00 0.00 177.57 177.77 3d5r h PHE 97 N -0.40 0.27 -0.46 1.57 -1.00 -0.91 -1.07 116.94 114.94 3d5r h PHE 97 Ca -0.00 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 3d5r h PHE 97 Cb 0.38 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 3d5r h PHE 97 CO 0.05 0.16 -0.02 0.77 -1.61 0.00 0.00 178.31 177.65 3d5r h SER 98 N 0.28 0.74 0.88 2.17 0.02 -1.11 -2.00 113.55 114.51 3d5r h SER 98 Ca 0.13 -0.18 -0.19 0.00 -0.84 0.00 0.00 61.79 60.71 3d5r h SER 98 Cb 0.18 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 3d5r h SER 98 CO -0.03 0.82 -0.88 0.25 -1.14 0.00 0.00 176.83 175.85 3d5r h LEU 99 N 0.71 0.01 0.00 5.07 5.85 -1.19 -3.15 115.31 122.61 3d5r h LEU 99 Ca 0.14 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3d5r h LEU 99 Cb 0.46 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3d5r h LEU 99 CO 0.02 0.89 0.00 0.00 -0.34 0.00 0.00 178.44 179.01 3d5r n ALA 100 N -2.37 2.65 0.28 1.25 0.00 -0.50 -3.56 120.51 118.26 3d5r n ALA 100 Ca -0.00 -0.19 0.15 0.00 0.00 0.00 0.00 53.44 53.40 3d5r n ALA 100 Cb 0.84 -1.51 0.80 0.00 0.00 0.00 0.00 19.45 19.58 3d5r n ALA 100 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3d5r h VAL 101 N 0.00 0.38 -0.01 0.00 -1.51 -1.34 -1.38 116.25 112.41 3d5r h VAL 101 Ca 0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 3d5r h VAL 101 Cb 0.03 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3d5r h VAL 101 CO 0.00 0.08 -0.17 0.59 -1.23 0.00 0.00 177.57 176.84 3d5r n ASN 102 N -3.46 0.70 -0.04 4.19 4.13 -1.23 -4.38 115.26 115.17 3d5r n ASN 102 Ca -0.02 -0.70 -0.05 0.00 1.68 0.00 0.00 54.58 55.49 3d5r n ASN 102 Cb 0.22 0.01 -0.04 0.00 -1.54 0.00 0.00 39.78 38.43 3d5r n ASN 102 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3d5r n LEU 103 N -0.83 2.40 -4.21 3.41 4.77 -0.57 -5.09 117.00 116.88 3d5r n LEU 103 Ca 0.13 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 3d5r n LEU 103 Cb 0.31 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 3d5r n LEU 103 CO 0.25 0.55 -0.24 0.27 -1.33 0.00 0.00 177.39 176.89 3d5r s ILE 104 N -2.17 0.01 0.07 -0.08 -4.36 -0.91 -5.04 121.20 108.71 3d5r s ILE 104 Ca -0.10 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 57.98 3d5r s ILE 104 Cb 0.03 -2.50 -0.06 0.00 1.25 0.00 0.00 42.46 41.17 3d5r s ILE 104 CO 0.21 0.00 1.25 0.00 0.24 0.00 0.00 174.94 176.65 3d5r s ALA 105 N -4.13 3.45 -0.10 2.27 0.00 -1.26 -4.59 121.76 117.40 3d5r s ALA 105 Ca 0.39 0.91 -0.00 0.00 0.00 0.00 0.00 51.96 53.25 3d5r s ALA 105 Cb 0.07 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.74 3d5r s ALA 105 CO 0.12 -0.51 -0.07 0.42 0.00 0.00 0.00 175.76 175.72 3d5r s ILE 106 N 1.18 0.92 -0.08 0.00 -1.09 -1.26 -5.08 121.20 115.79 3d5r s ILE 106 Ca 0.60 -0.24 -0.30 0.00 -2.23 0.00 0.00 60.65 58.49 3d5r s ILE 106 Cb -0.31 -0.95 -0.05 0.00 -1.58 0.00 0.00 42.46 39.57 3d5r s ILE 106 CO 0.29 0.35 1.68 -0.62 -1.23 0.00 0.00 174.94 175.41 3d5r s ASP 107 N 1.62 6.57 0.40 3.58 -1.08 -1.26 -4.87 116.67 121.62 3d5r s ASP 107 Ca 0.03 2.15 0.10 0.00 -0.52 0.00 0.00 52.55 54.30 3d5r s ASP 107 Cb -0.13 -2.53 0.89 0.00 -1.46 0.00 0.00 42.92 39.69 3d5r s ASP 107 CO -0.06 -1.02 1.98 0.28 0.52 0.00 0.00 175.17 176.86 3d5r h SER 108 N 9.97 0.51 0.93 -0.34 0.02 -1.99 -1.48 113.55 121.17 3d5r h SER 108 Ca -0.39 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.52 3d5r h SER 108 Cb 1.18 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 3d5r h SER 108 CO 0.96 0.32 -0.20 1.56 -1.14 0.00 0.00 176.83 178.33 3d5r h GLN 109 N 0.57 0.00 -0.04 3.45 4.20 -1.96 0.42 115.11 121.74 3d5r h GLN 109 Ca 0.28 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.89 3d5r h GLN 109 Cb 0.37 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.15 3d5r h GLN 109 CO -0.09 0.20 -0.39 0.28 -0.67 0.00 0.00 178.83 178.16 3d5r h VAL 110 N 0.00 1.44 0.10 -0.54 2.07 -1.67 0.39 116.25 118.04 3d5r h VAL 110 Ca -0.00 -1.86 -0.00 0.00 0.82 0.00 0.00 66.70 65.65 3d5r h VAL 110 Cb 0.71 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 3d5r h VAL 110 CO 0.03 0.53 -0.05 0.25 0.02 0.00 0.00 177.57 178.35 3d5r h LEU 111 N -0.19 -0.11 -0.81 2.57 5.85 -1.23 -2.27 115.31 119.12 3d5r h LEU 111 Ca -0.04 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 3d5r h LEU 111 Cb 1.07 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3d5r h LEU 111 CO 0.08 0.21 -0.34 0.00 -0.34 0.00 0.00 178.44 178.05 3d5r h GLY 113 N 2.36 0.99 1.22 0.00 0.00 -0.87 0.17 103.07 106.94 3d5r h GLY 113 Ca -0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 47.33 46.48 3d5r h GLY 113 CO 0.04 0.70 0.01 0.00 0.00 0.00 0.00 176.54 177.29 3d5r h ALA 114 N 0.92 0.98 -0.25 3.60 0.00 -1.11 -1.43 119.26 121.96 3d5r h ALA 114 Ca 0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3d5r h ALA 114 Cb 0.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3d5r h ALA 114 CO 0.03 0.63 -0.00 0.28 0.00 0.00 0.00 179.25 180.19 3d5r h VAL 115 N 0.87 1.26 -0.39 0.00 2.07 -1.00 -2.07 116.25 117.00 3d5r h VAL 115 Ca 0.16 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 66.83 3d5r h VAL 115 Cb 0.49 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 3d5r h VAL 115 CO 0.02 0.29 0.08 0.50 0.02 0.00 0.00 177.57 178.48 3d5r h LYS 116 N 0.22 0.20 -0.62 1.57 1.63 -0.45 -2.05 116.57 117.08 3d5r h LYS 116 Ca 0.07 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.87 3d5r h LYS 116 Cb 0.42 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 3d5r h LYS 116 CO 0.01 0.13 0.40 2.35 -3.45 0.00 0.00 179.45 178.90 3d5r h TRP 117 N 0.21 0.76 -0.71 1.91 7.01 -1.13 -0.91 115.95 123.10 3d5r h TRP 117 Ca 0.19 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.22 3d5r h TRP 117 Cb 0.22 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.98 3d5r h TRP 117 CO -0.19 0.46 0.46 -0.07 -2.79 0.00 0.00 178.44 176.31 3d5r h LEU 118 N 0.81 0.77 0.68 0.65 3.38 -0.92 0.63 115.31 121.32 3d5r h LEU 118 Ca 0.23 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3d5r h LEU 118 Cb -0.06 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.51 3d5r h LEU 118 CO -0.06 0.55 -0.33 0.40 0.09 0.00 0.00 178.44 179.08 3d5r h ILE 119 N 0.91 0.00 -0.84 1.22 1.08 -0.88 -1.56 117.51 117.43 3d5r h ILE 119 Ca 0.27 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 3d5r h ILE 119 Cb -0.05 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.66 3d5r h ILE 119 CO -0.08 0.00 0.44 -0.07 -0.69 0.00 0.00 178.15 177.75 3d5r h LEU 120 N -1.08 1.07 0.00 1.44 4.07 -1.18 -3.19 115.31 116.44 3d5r h LEU 120 Ca -0.09 -0.11 -0.37 0.00 0.08 0.00 0.00 57.88 57.38 3d5r h LEU 120 Cb 0.70 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 42.10 3d5r h LEU 120 CO 0.15 0.88 -2.40 -0.62 -1.08 0.00 0.00 178.44 175.37 3d5r n GLU 121 N -4.36 0.69 0.00 1.13 -0.58 0.21 -4.72 120.64 113.01 3d5r n GLU 121 Ca 0.08 0.01 0.05 0.00 -0.42 0.00 0.00 57.16 56.89 3d5r n GLU 121 Cb 0.11 -1.52 -0.02 0.00 -0.57 0.00 0.00 31.44 29.44 3d5r n GLU 121 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3d5r n LYS 122 N -2.81 2.53 -3.56 3.49 4.76 -0.63 -4.97 118.16 116.97 3d5r n LYS 122 Ca -0.34 -0.44 -0.36 0.00 -2.87 0.00 0.00 58.31 54.29 3d5r n LYS 122 Cb 1.14 -1.06 -0.07 0.00 -1.84 0.00 0.00 35.03 33.19 3d5r n LYS 122 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3d5r s GLN 123 N -1.56 4.23 0.64 1.97 0.74 -0.98 -1.92 119.66 122.77 3d5r s GLN 123 Ca 0.07 0.02 -0.10 0.00 0.05 0.00 0.00 55.36 55.40 3d5r s GLN 123 Cb 0.08 -3.45 -0.01 0.00 1.10 0.00 0.00 33.01 30.73 3d5r s GLN 123 CO 0.31 0.20 1.02 0.15 -0.55 0.00 0.00 175.29 176.42 3d5r s LYS 124 N 0.59 3.23 0.57 1.67 1.02 0.51 -4.92 119.74 122.41 3d5r s LYS 124 Ca 0.15 0.51 0.27 0.00 0.02 0.00 0.00 55.97 56.91 3d5r s LYS 124 Cb -0.13 -2.10 1.63 0.00 -0.52 0.00 0.00 37.83 36.71 3d5r s LYS 124 CO 0.03 -0.74 2.15 -1.35 -0.92 0.00 0.00 175.35 174.53 3d5r h PRO 125 N -0.39 0.00 -0.01 -1.68 0.11 -1.98 0.99 132.00 129.04 3d5r h PRO 125 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3d5r h PRO 125 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3d5r h PRO 125 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3d5r n ASP 126 N -3.98 0.29 0.00 -2.05 5.75 -1.26 -4.91 116.55 110.38 3d5r n ASP 126 Ca 0.00 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.63 3d5r n ASP 126 Cb 0.23 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 3d5r n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d5r n GLY 127 N 1.01 3.07 3.76 6.12 0.00 0.34 -4.42 105.19 115.07 3d5r n GLY 127 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3d5r n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5r s VAL 128 N -2.80 2.61 -0.14 1.61 1.01 -1.26 -4.04 120.40 117.39 3d5r s VAL 128 Ca 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.38 3d5r s VAL 128 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3d5r s VAL 128 CO 0.00 -0.03 -0.05 -0.36 0.00 0.00 0.00 175.10 174.66 3d5r s PHE 129 N -1.48 3.01 0.09 5.22 0.08 -1.26 -0.37 117.98 123.27 3d5r s PHE 129 Ca 0.71 -0.27 0.08 0.00 0.12 0.00 0.00 56.93 57.57 3d5r s PHE 129 Cb -0.33 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 3d5r s PHE 129 CO 0.38 0.01 -0.15 -0.65 -0.10 0.00 0.00 175.22 174.72 3d5r s GLN 130 N 0.19 1.99 -0.31 0.44 -0.21 -0.81 -4.43 119.66 116.52 3d5r s GLN 130 Ca -0.02 -1.07 -0.07 0.00 0.02 0.00 0.00 55.36 54.21 3d5r s GLN 130 Cb -0.14 -2.21 0.01 0.00 1.00 0.00 0.00 33.01 31.67 3d5r s GLN 130 CO 0.03 0.51 0.11 -2.00 -2.12 0.00 0.00 175.29 171.81 3d5r s GLU 131 N -2.01 3.01 0.00 2.91 2.56 -1.26 -4.72 118.70 119.20 3d5r s GLU 131 Ca 0.19 -0.92 0.21 0.00 0.00 0.00 0.00 54.97 54.45 3d5r s GLU 131 Cb -0.11 -3.45 -0.17 0.00 2.00 0.00 0.00 34.13 32.41 3d5r s GLU 131 CO 0.10 -0.50 0.95 -0.25 -0.56 0.00 0.00 175.26 175.00 3d5r n ASP 132 N 4.88 1.23 -3.20 -1.70 8.00 -1.26 -4.70 116.55 119.81 3d5r n ASP 132 Ca -0.14 -1.11 -0.20 0.00 0.71 0.00 0.00 54.79 54.05 3d5r n ASP 132 Cb 0.47 0.87 -0.07 0.00 -0.02 0.00 0.00 41.12 42.38 3d5r n ASP 132 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d5r n ALA 133 N -1.16 1.52 -1.50 2.24 0.00 -1.26 -5.07 120.51 115.28 3d5r n ALA 133 Ca 0.05 -2.57 -0.41 0.00 0.00 0.00 0.00 53.44 50.52 3d5r n ALA 133 Cb 0.36 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.87 3d5r n ALA 133 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3d5r n PRO 134 N 2.68 0.77 -1.83 0.00 -0.02 -1.26 -4.21 135.00 131.14 3d5r n PRO 134 Ca 0.25 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.69 3d5r n PRO 134 Cb 0.51 -1.69 0.04 0.00 -0.02 0.00 0.00 33.50 32.33 3d5r n PRO 134 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3d5r s VAL 135 N -1.45 3.45 0.10 -1.45 -7.23 -1.26 -4.95 120.40 107.62 3d5r s VAL 135 Ca 0.64 0.67 -0.17 0.00 -1.81 0.00 0.00 61.98 61.31 3d5r s VAL 135 Cb -0.57 -3.20 -0.06 0.00 0.56 0.00 0.00 36.38 33.12 3d5r s VAL 135 CO 0.57 -0.43 1.54 0.40 -0.31 0.00 0.00 175.10 176.87 3d5r h ILE 136 N 0.10 1.26 -0.47 -0.62 2.04 -2.02 -3.35 117.51 114.46 3d5r h ILE 136 Ca -0.47 -0.97 -0.71 0.00 1.00 0.00 0.00 64.86 63.72 3d5r h ILE 136 Cb 1.24 1.26 -0.07 0.00 -0.74 0.00 0.00 36.82 38.51 3d5r h ILE 136 CO 0.55 0.31 2.70 1.41 0.00 0.00 0.00 178.15 183.13 3d5r n HIS 137 N -4.54 3.84 0.22 1.37 8.25 -1.26 -4.77 115.22 118.33 3d5r n HIS 137 Ca -0.02 -2.94 0.14 0.00 -0.26 0.00 0.00 57.72 54.63 3d5r n HIS 137 Cb 0.27 -2.50 0.72 0.00 1.12 0.00 0.00 29.99 29.60 3d5r n HIS 137 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3d5r h GLN 138 N 6.44 0.00 0.00 -0.41 1.08 -1.99 -0.45 115.11 119.78 3d5r h GLN 138 Ca 0.51 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.71 3d5r h GLN 138 Cb 0.71 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 3d5r h GLN 138 CO 1.72 0.00 -0.02 -0.85 -0.95 0.00 0.00 178.83 178.73 3d5r n GLU 139 N -2.48 0.16 0.00 1.46 0.00 -1.26 -3.56 120.64 114.96 3d5r n GLU 139 Ca -0.02 0.13 0.13 0.00 0.00 0.00 0.00 57.16 57.40 3d5r n GLU 139 Cb 0.12 -1.68 0.43 0.00 0.00 0.00 0.00 31.44 30.32 3d5r n GLU 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3d5r n MET 140 N -1.95 0.74 -0.37 3.44 0.00 -0.18 -3.92 117.12 114.88 3d5r n MET 140 Ca 0.06 -0.39 0.10 0.00 0.00 0.00 0.00 57.70 57.47 3d5r n MET 140 Cb 0.39 -1.49 0.29 0.00 0.00 0.00 0.00 33.22 32.41 3d5r n MET 140 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 3d5r n ILE 141 N -0.79 1.19 -3.41 3.17 -0.00 -1.23 -4.03 119.36 114.25 3d5r n ILE 141 Ca 0.12 -1.06 0.00 0.00 -0.00 0.00 0.00 62.75 61.81 3d5r n ILE 141 Cb 0.33 0.41 0.00 0.00 -0.00 0.00 0.00 39.64 40.38 3d5r n ILE 141 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3d5r n GLY 142 N 1.23 2.65 0.25 3.28 0.00 -1.25 -2.58 105.19 108.76 3d5r n GLY 142 Ca 0.22 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 46.05 3d5r n GLY 142 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3d5r h GLY 143 N 0.00 0.00 1.19 -0.02 0.00 -1.92 -1.08 103.07 101.24 3d5r h GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d5r h GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3d5r n LEU 144 N -2.52 0.00 0.16 3.11 4.32 -1.07 -2.41 117.00 118.59 3d5r n LEU 144 Ca -0.02 0.10 0.02 0.00 -0.02 0.00 0.00 56.01 56.09 3d5r n LEU 144 Cb 0.25 -0.10 0.24 0.00 -1.62 0.00 0.00 43.42 42.19 3d5r n LEU 144 CO 0.11 -0.04 0.57 -0.09 -1.22 0.00 0.00 177.39 176.72 3d5r h ARG 145 N 0.00 0.00 -6.79 3.23 2.43 -1.39 -3.43 114.38 108.42 3d5r h ARG 145 Ca 0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 3d5r h ARG 145 Cb 0.05 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 29.67 3d5r h ARG 145 CO 0.00 0.51 0.79 1.21 -1.51 0.00 0.00 179.97 180.97 3d5r s ASN 146 N -6.64 6.54 0.40 -3.80 3.84 -1.01 -4.92 114.94 109.35 3d5r s ASN 146 Ca -0.00 2.79 0.21 0.00 0.21 0.00 0.00 52.86 56.07 3d5r s ASN 146 Cb 0.12 -2.63 0.36 0.00 -0.55 0.00 0.00 41.25 38.54 3d5r s ASN 146 CO 0.73 -0.77 1.60 0.78 -2.79 0.00 0.00 177.10 176.64 3d5r h ASN 147 N 4.65 0.00 -3.59 -4.21 4.21 -1.90 -3.44 115.58 111.30 3d5r h ASN 147 Ca -0.47 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.52 3d5r h ASN 147 Cb 1.22 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.45 3d5r h ASN 147 CO 0.76 0.15 0.57 0.20 -1.29 0.00 0.00 177.43 177.82 3d5r s ASN 148 N -6.25 7.05 -1.63 5.81 0.01 -1.26 -3.22 114.94 115.45 3d5r s ASN 148 Ca 0.05 2.34 -0.02 0.00 -0.71 0.00 0.00 52.86 54.52 3d5r s ASN 148 Cb 0.06 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.11 3d5r s ASN 148 CO 0.68 -0.37 0.29 -0.62 -1.51 0.00 0.00 177.10 175.57 3d5r n GLU 149 N 2.00 -3.19 -0.31 -0.60 1.02 -1.26 -4.90 120.64 113.40 3d5r n GLU 149 Ca 0.03 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 3d5r n GLU 149 Cb 0.44 -5.65 0.18 0.00 -0.02 0.00 0.00 31.44 26.39 3d5r n GLU 149 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3d5r h LYS 150 N -0.67 1.15 -0.67 3.49 3.64 -1.83 -0.25 116.57 121.42 3d5r h LYS 150 Ca -0.50 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.79 3d5r h LYS 150 Cb 1.36 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 3d5r h LYS 150 CO 0.56 0.76 0.32 -0.44 -2.27 0.00 0.00 179.45 178.39 3d5r h ASP 151 N 1.18 0.87 0.03 4.20 3.32 -1.90 0.22 116.42 124.34 3d5r h ASP 151 Ca 0.34 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3d5r h ASP 151 Cb -0.07 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.26 3d5r h ASP 151 CO -0.09 0.76 -0.01 0.24 -1.72 0.00 0.00 179.24 178.42 3d5r h MET 152 N 0.93 -0.04 -0.14 3.56 2.86 -1.85 -1.46 114.93 118.79 3d5r h MET 152 Ca 0.23 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.90 3d5r h MET 152 Cb 0.11 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3d5r h MET 152 CO -0.03 0.46 -0.02 0.00 1.06 0.00 0.00 176.91 178.38 3d5r h ALA 153 N 0.37 0.10 -0.49 6.32 0.00 -0.95 0.21 119.26 124.83 3d5r h ALA 153 Ca -0.00 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3d5r h ALA 153 Cb 0.52 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3d5r h ALA 153 CO 0.01 -0.47 -0.21 1.25 0.00 0.00 0.00 179.25 179.82 3d5r h LEU 154 N 0.02 1.04 -0.70 0.00 5.85 -0.65 -1.06 115.31 119.80 3d5r h LEU 154 Ca 0.07 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 3d5r h LEU 154 Cb 0.09 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3d5r h LEU 154 CO -0.13 1.20 0.36 0.74 -0.34 0.00 0.00 178.44 180.27 3d5r h THR 155 N 0.87 1.22 -0.25 1.05 2.02 -1.04 -0.70 112.91 116.09 3d5r h THR 155 Ca 0.11 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 3d5r h THR 155 Cb 0.80 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3d5r h THR 155 CO 0.07 0.26 0.11 0.00 0.37 0.00 0.00 175.52 176.33 3d5r h ALA 156 N 1.18 0.32 -0.14 6.16 0.00 -0.78 0.23 119.26 126.23 3d5r h ALA 156 Ca 0.24 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3d5r h ALA 156 Cb 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3d5r h ALA 156 CO -0.03 -0.11 -0.10 0.35 0.00 0.00 0.00 179.25 179.36 3d5r h PHE 157 N 0.26 -0.23 -0.53 0.00 3.57 -0.75 0.35 116.94 119.60 3d5r h PHE 157 Ca 0.08 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3d5r h PHE 157 Cb 0.13 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3d5r h PHE 157 CO -0.02 -0.15 0.14 0.28 -2.23 0.00 0.00 178.31 176.33 3d5r h VAL 158 N -0.10 1.24 -0.65 1.41 2.07 -1.02 -2.17 116.25 117.04 3d5r h VAL 158 Ca 0.08 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.79 3d5r h VAL 158 Cb 0.22 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3d5r h VAL 158 CO -0.20 0.31 0.40 0.25 0.02 0.00 0.00 177.57 178.35 3d5r h LEU 159 N 0.74 0.66 -0.78 2.57 5.85 -0.64 -0.30 115.31 123.40 3d5r h LEU 159 Ca 0.17 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3d5r h LEU 159 Cb 0.32 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 3d5r h LEU 159 CO 0.00 0.46 0.50 0.40 -0.34 0.00 0.00 178.44 179.45 3d5r h ILE 160 N 0.79 1.10 -0.57 4.05 2.04 -0.55 0.39 117.51 124.76 3d5r h ILE 160 Ca 0.26 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3d5r h ILE 160 Cb 0.02 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 3d5r h ILE 160 CO -0.10 0.17 0.22 0.28 0.00 0.00 0.00 178.15 178.72 3d5r h SER 161 N 0.95 0.79 -0.33 1.72 0.02 -0.68 -0.67 113.55 115.36 3d5r h SER 161 Ca 0.32 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3d5r h SER 161 Cb 0.04 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3d5r h SER 161 CO -0.12 0.75 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.22 3d5r h LEU 162 N 0.79 0.69 -0.25 5.07 3.38 -0.42 -1.58 115.31 122.99 3d5r h LEU 162 Ca 0.19 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3d5r h LEU 162 Cb 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3d5r h LEU 162 CO -0.01 0.78 -0.20 1.56 0.09 0.00 0.00 178.44 180.66 3d5r h GLN 163 N 0.67 0.57 0.00 1.13 4.20 -0.65 -0.96 115.11 120.07 3d5r h GLN 163 Ca 0.13 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3d5r h GLN 163 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3d5r h GLN 163 CO 0.02 0.87 0.00 0.93 -0.67 0.00 0.00 178.83 179.98 3d5r h GLU 164 N 0.29 0.00 0.00 1.46 5.08 -0.96 -2.39 114.58 118.06 3d5r h GLU 164 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3d5r h GLU 164 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3d5r h GLU 164 CO 0.05 0.00 -0.96 0.00 -1.00 0.00 0.00 179.01 177.10 3d5r n ALA 165 N -1.97 4.09 -0.18 3.43 0.00 -0.61 -4.63 120.51 120.65 3d5r n ALA 165 Ca 0.01 -0.50 -0.12 0.00 0.00 0.00 0.00 53.44 52.83 3d5r n ALA 165 Cb 0.25 -0.89 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 3d5r n ALA 165 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3d5r h LYS 166 N 0.00 -0.31 -0.74 0.00 3.64 -0.63 -0.05 116.57 118.48 3d5r h LYS 166 Ca 0.00 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.57 3d5r h LYS 166 Cb 0.58 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.36 3d5r h LYS 166 CO 0.00 -0.21 0.15 -0.44 -2.27 0.00 0.00 179.45 176.68 3d5r h ASP 167 N -0.32 -0.06 0.35 4.20 3.32 -1.82 0.69 116.42 122.77 3d5r h ASP 167 Ca 0.11 0.16 -0.16 0.00 0.02 0.00 0.00 57.03 57.16 3d5r h ASP 167 Cb 0.57 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 3d5r h ASP 167 CO -0.65 -0.07 -0.65 0.40 -1.72 0.00 0.00 179.24 176.55 3d5r h ILE 168 N 0.23 1.39 -0.01 0.35 2.04 -1.68 -3.33 117.51 116.50 3d5r h ILE 168 Ca 0.42 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 64.21 3d5r h ILE 168 Cb 0.73 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3d5r h ILE 168 CO -0.54 0.61 -0.18 0.00 0.00 0.00 0.00 178.15 178.04 3d5r h GLU 170 N 2.13 -0.10 0.00 0.00 4.39 0.24 -1.76 114.58 119.47 3d5r h GLU 170 Ca 0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3d5r h GLU 170 Cb 0.54 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3d5r h GLU 170 CO 0.00 -0.07 -0.04 0.93 -1.16 0.00 0.00 179.01 178.67 3d5r h GLU 171 N -0.11 0.00 -0.01 2.33 4.39 -1.84 -3.18 114.58 116.16 3d5r h GLU 171 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3d5r h GLU 171 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3d5r h GLU 171 CO -0.67 0.04 -0.11 0.00 -1.16 0.00 0.00 179.01 177.12 3d5r n GLN 172 N -3.68 1.28 -3.77 2.33 10.64 -0.85 -4.80 117.38 118.52 3d5r n GLN 172 Ca -0.02 -0.99 -0.29 0.00 -1.83 0.00 0.00 57.00 53.86 3d5r n GLN 172 Cb 0.14 -1.20 -0.13 0.00 -0.86 0.00 0.00 30.24 28.20 3d5r n GLN 172 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3d5r s VAL 173 N -1.25 1.89 0.37 -0.39 1.01 -0.72 -4.98 120.40 116.33 3d5r s VAL 173 Ca 0.13 -3.13 0.14 0.00 0.00 0.00 0.00 61.98 59.11 3d5r s VAL 173 Cb 0.10 -2.30 0.36 0.00 0.00 0.00 0.00 36.38 34.54 3d5r s VAL 173 CO 0.22 -0.94 1.80 0.78 0.00 0.00 0.00 175.10 176.96 3d5r h ASN 174 N 6.26 0.55 0.78 3.32 -0.26 -1.87 -1.32 115.58 123.04 3d5r h ASN 174 Ca 0.04 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 3d5r h ASN 174 Cb 0.88 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 3d5r h ASN 174 CO 0.57 0.17 -0.06 -1.54 -1.06 0.00 0.00 177.43 175.52 3d5r n SER 175 N -4.64 0.09 -0.05 5.81 3.41 -1.26 -4.17 113.62 112.81 3d5r n SER 175 Ca 0.23 0.17 -0.08 0.00 -0.26 0.00 0.00 58.87 58.93 3d5r n SER 175 Cb 0.72 -0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 3d5r n SER 175 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3d5r h LEU 176 N 0.05 -0.63 -0.35 1.04 5.85 -1.61 0.09 115.31 119.74 3d5r h LEU 176 Ca 0.00 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.92 3d5r h LEU 176 Cb 0.43 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 3d5r h LEU 176 CO 0.00 -0.23 -0.08 -0.65 -0.34 0.00 0.00 178.44 177.13 3d5r h PRO 177 N -0.19 0.00 -0.65 5.25 0.11 -1.79 -1.27 132.00 133.46 3d5r h PRO 177 Ca 0.14 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 3d5r h PRO 177 Cb 0.40 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 3d5r h PRO 177 CO -0.36 0.00 0.18 0.78 -0.21 0.00 0.00 178.00 178.39 3d5r h GLY 178 N 0.00 1.09 0.95 -0.55 0.00 -1.70 -2.48 103.07 100.38 3d5r h GLY 178 Ca 0.17 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3d5r h GLY 178 CO -0.36 0.60 0.18 0.23 0.00 0.00 0.00 176.54 177.20 3d5r h SER 179 N 0.97 0.49 -0.29 0.19 0.87 -0.43 -1.73 113.55 113.63 3d5r h SER 179 Ca 0.21 -0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 3d5r h SER 179 Cb 0.31 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 3d5r h SER 179 CO -0.00 0.48 -0.07 0.40 -0.53 0.00 0.00 176.83 177.11 3d5r h ILE 180 N 0.47 0.72 -0.08 2.23 1.08 -1.04 -0.92 117.51 119.97 3d5r h ILE 180 Ca 0.13 -0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.62 3d5r h ILE 180 Cb 0.11 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 3d5r h ILE 180 CO -0.02 0.00 -0.08 0.74 -0.69 0.00 0.00 178.15 178.10 3d5r h THR 181 N 0.01 0.76 -0.65 -0.27 2.02 -1.16 0.06 112.91 113.68 3d5r h THR 181 Ca 0.14 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.35 3d5r h THR 181 Cb 0.21 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 3d5r h THR 181 CO -0.29 0.00 0.40 0.11 0.37 0.00 0.00 175.52 176.11 3d5r h LYS 182 N -0.11 0.76 -0.71 6.66 1.79 -0.92 0.11 116.57 124.14 3d5r h LYS 182 Ca 0.06 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 3d5r h LYS 182 Cb 0.20 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 3d5r h LYS 182 CO -0.15 0.50 0.23 0.00 -1.08 0.00 0.00 179.45 178.95 3d5r h ALA 183 N 1.28 0.93 -0.58 3.86 0.00 -0.93 -2.19 119.26 121.63 3d5r h ALA 183 Ca 0.26 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3d5r h ALA 183 Cb 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3d5r h ALA 183 CO -0.11 0.61 0.37 0.78 0.00 0.00 0.00 179.25 180.90 3d5r h GLY 184 N 1.05 0.83 0.76 0.00 0.00 0.05 -1.78 103.07 103.99 3d5r h GLY 184 Ca 0.23 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.33 3d5r h GLY 184 CO -0.01 0.25 0.42 -0.55 0.00 0.00 0.00 176.54 176.65 3d5r h ASP 185 N 0.73 0.65 -0.22 0.19 3.32 -0.45 0.90 116.42 121.54 3d5r h ASP 185 Ca 0.23 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3d5r h ASP 185 Cb -0.02 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3d5r h ASP 185 CO -0.08 0.43 0.12 0.15 -1.72 0.00 0.00 179.24 178.14 3d5r h PHE 186 N 0.78 0.30 -0.35 4.55 3.57 -0.84 -1.36 116.94 123.59 3d5r h PHE 186 Ca 0.30 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 3d5r h PHE 186 Cb 0.12 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3d5r h PHE 186 CO -0.06 0.27 0.19 -0.07 -2.23 0.00 0.00 178.31 176.41 3d5r h LEU 187 N 0.24 0.43 -0.38 0.59 3.38 -0.84 -3.04 115.31 115.70 3d5r h LEU 187 Ca 0.08 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3d5r h LEU 187 Cb 0.07 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3d5r h LEU 187 CO -0.01 0.40 0.17 -0.08 0.09 0.00 0.00 178.44 179.00 3d5r h GLU 188 N 0.43 0.34 0.00 1.13 4.81 -0.63 0.08 114.58 120.75 3d5r h GLU 188 Ca 0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3d5r h GLU 188 Cb 0.06 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3d5r h GLU 188 CO -0.02 0.22 0.00 0.00 -0.73 0.00 0.00 179.01 178.48 3d5r n ALA 189 N -2.30 1.55 -0.28 2.92 0.00 -0.53 -3.13 120.51 118.74 3d5r n ALA 189 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3d5r n ALA 189 Cb 0.11 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3d5r n ALA 189 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3d5r n ASN 190 N -1.55 0.57 -0.16 0.00 3.02 -0.93 -4.82 115.26 111.39 3d5r n ASN 190 Ca 0.03 -0.90 -0.04 0.00 -0.03 0.00 0.00 54.58 53.64 3d5r n ASN 190 Cb 0.14 0.11 0.05 0.00 -0.61 0.00 0.00 39.78 39.47 3d5r n ASN 190 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3d5r h TYR 191 N 0.00 0.39 0.00 3.10 3.20 -0.94 -2.24 116.97 120.47 3d5r h TYR 191 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3d5r h TYR 191 Cb 0.14 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 3d5r h TYR 191 CO 0.00 0.16 -0.05 0.52 -1.64 0.00 0.00 178.16 177.15 3d5r h MET 192 N 0.42 0.00 -0.00 1.82 2.86 -1.87 -1.94 114.93 116.22 3d5r h MET 192 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3d5r h MET 192 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3d5r h MET 192 CO -0.20 0.05 -0.06 0.09 1.06 0.00 0.00 176.91 177.86 3d5r n ASN 193 N -4.03 0.33 -4.76 1.22 5.03 -0.85 -4.92 115.26 107.28 3d5r n ASN 193 Ca -0.03 -0.60 -0.39 0.00 0.87 0.00 0.00 54.58 54.43 3d5r n ASN 193 Cb 0.14 -0.11 0.02 0.00 -1.02 0.00 0.00 39.78 38.81 3d5r n ASN 193 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3d5r s LEU 194 N -2.38 4.04 -0.00 3.41 1.43 -0.73 -4.94 118.68 119.50 3d5r s LEU 194 Ca 0.33 2.73 0.01 0.00 -1.03 0.00 0.00 54.13 56.17 3d5r s LEU 194 Cb 0.21 -4.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.33 3d5r s LEU 194 CO 0.44 -1.20 0.03 0.00 0.23 0.00 0.00 176.35 175.85 3d5r n GLN 195 N -0.44 1.22 -3.79 1.70 1.13 -1.26 -5.02 117.38 110.92 3d5r n GLN 195 Ca 0.07 -0.01 -0.35 0.00 -1.94 0.00 0.00 57.00 54.76 3d5r n GLN 195 Cb 0.44 -0.94 -0.08 0.00 0.11 0.00 0.00 30.24 29.77 3d5r n GLN 195 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3d5r s ARG 196 N -1.90 3.99 0.36 -1.09 0.52 -1.26 -4.97 118.95 114.59 3d5r s ARG 196 Ca -0.00 -0.21 0.04 0.00 -0.52 0.00 0.00 55.73 55.04 3d5r s ARG 196 Cb 0.01 -3.35 0.69 0.00 0.52 0.00 0.00 34.95 32.82 3d5r s ARG 196 CO 0.05 0.42 2.00 0.77 0.02 0.00 0.00 175.30 178.55 3d5r h SER 197 N 6.26 0.68 0.33 0.23 0.02 -1.95 -1.50 113.55 117.62 3d5r h SER 197 Ca -0.44 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3d5r h SER 197 Cb 1.17 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3d5r h SER 197 CO 0.71 0.48 -0.27 0.22 -1.14 0.00 0.00 176.83 176.83 3d5r h TYR 198 N 0.80 -0.70 -0.72 3.45 3.20 -1.90 -0.46 116.97 120.64 3d5r h TYR 198 Ca 0.25 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 3d5r h TYR 198 Cb 0.02 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 3d5r h TYR 198 CO -0.00 -0.40 0.36 1.15 -1.64 0.00 0.00 178.16 177.63 3d5r h THR 199 N -0.60 1.22 -0.53 1.81 2.02 -1.88 -1.35 112.91 113.60 3d5r h THR 199 Ca -0.02 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.56 3d5r h THR 199 Cb 0.53 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3d5r h THR 199 CO -0.02 0.26 0.34 0.58 0.37 0.00 0.00 175.52 177.06 3d5r h VAL 200 N 1.01 1.12 0.29 3.16 2.07 -0.92 -0.18 116.25 122.80 3d5r h VAL 200 Ca 0.25 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3d5r h VAL 200 Cb 0.08 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3d5r h VAL 200 CO -0.03 0.13 -0.14 0.00 0.02 0.00 0.00 177.57 177.54 3d5r h ALA 201 N 1.20 -0.39 -0.42 1.67 0.00 -0.55 0.36 119.26 121.14 3d5r h ALA 201 Ca 0.20 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3d5r h ALA 201 Cb -0.06 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3d5r h ALA 201 CO -0.05 -0.59 -0.12 0.97 0.00 0.00 0.00 179.25 179.46 3d5r h ILE 202 N -0.64 1.27 0.00 0.00 2.10 -1.24 -1.07 117.51 117.93 3d5r h ILE 202 Ca -0.04 -1.22 -0.07 0.00 1.08 0.00 0.00 64.86 64.61 3d5r h ILE 202 Cb 0.46 1.20 -0.01 0.00 -1.09 0.00 0.00 36.82 37.37 3d5r h ILE 202 CO 0.06 0.41 -0.31 0.00 -1.08 0.00 0.00 178.15 177.24 3d5r h ALA 203 N 0.85 1.21 -0.13 0.18 0.00 -1.07 -1.85 119.26 118.44 3d5r h ALA 203 Ca 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3d5r h ALA 203 Cb 0.65 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3d5r h ALA 203 CO 0.04 0.39 0.03 0.78 0.00 0.00 0.00 179.25 180.50 3d5r h GLY 204 N 1.42 0.22 1.00 0.00 0.00 0.31 -0.89 103.07 105.13 3d5r h GLY 204 Ca -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 3d5r h GLY 204 CO 0.04 0.13 0.28 -1.82 0.00 0.00 0.00 176.54 175.16 3d5r h TYR 205 N 0.01 0.94 -0.46 5.60 3.20 -0.92 0.07 116.97 125.41 3d5r h TYR 205 Ca 0.04 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.86 3d5r h TYR 205 Cb 0.25 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3d5r h TYR 205 CO 0.01 0.73 0.30 0.00 -1.64 0.00 0.00 178.16 177.55 3d5r h ALA 206 N 1.12 0.58 -0.36 1.82 0.00 -1.18 -1.73 119.26 119.51 3d5r h ALA 206 Ca 0.21 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 3d5r h ALA 206 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3d5r h ALA 206 CO -0.02 0.02 -0.40 -0.07 0.00 0.00 0.00 179.25 178.78 3d5r h LEU 207 N 0.61 0.93 -1.26 0.00 3.38 -0.95 -3.11 115.31 114.92 3d5r h LEU 207 Ca 0.17 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3d5r h LEU 207 Cb -0.06 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 3d5r h LEU 207 CO -0.04 1.21 0.50 0.00 0.09 0.00 0.00 178.44 180.21 3d5r h ALA 208 N 0.83 1.47 0.00 1.53 0.00 -0.73 0.25 119.26 122.61 3d5r h ALA 208 Ca 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3d5r h ALA 208 Cb 0.98 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3d5r h ALA 208 CO 0.09 0.48 -0.09 1.96 0.00 0.00 0.00 179.25 181.69 3d5r h GLN 209 N 1.01 0.00 -0.59 0.00 4.20 -1.25 -1.47 115.11 117.02 3d5r h GLN 209 Ca 0.28 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.81 3d5r h GLN 209 Cb -0.09 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.58 3d5r h GLN 209 CO -0.06 0.09 0.17 0.00 -0.67 0.00 0.00 178.83 178.36 3d5r n MET 210 N -4.25 3.19 -2.68 1.46 0.00 -0.73 -4.94 117.12 109.17 3d5r n MET 210 Ca -0.03 -3.06 -0.19 0.00 0.00 0.00 0.00 57.70 54.43 3d5r n MET 210 Cb 0.17 -2.08 0.00 0.00 0.00 0.00 0.00 33.22 31.32 3d5r n MET 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3d5r n GLY 211 N -0.44 -0.50 0.48 3.17 0.00 -0.55 -4.86 105.19 102.49 3d5r n GLY 211 Ca 0.37 0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.47 3d5r n GLY 211 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5r n ARG 212 N -3.27 2.79 -3.26 1.61 1.74 0.00 -4.84 116.66 111.44 3d5r n ARG 212 Ca -0.15 -1.89 -0.46 0.00 -0.77 0.00 0.00 57.85 54.58 3d5r n ARG 212 Cb 0.63 -1.20 -0.02 0.00 -1.02 0.00 0.00 32.46 30.84 3d5r n ARG 212 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3d5r s LEU 213 N -0.99 6.44 0.00 0.55 2.96 -1.21 -4.85 118.68 121.58 3d5r s LEU 213 Ca 0.17 -2.64 -0.07 0.00 -0.22 0.00 0.00 54.13 51.37 3d5r s LEU 213 Cb 0.09 -2.24 0.03 0.00 0.50 0.00 0.00 46.19 44.57 3d5r s LEU 213 CO 0.12 -0.64 0.47 2.29 -1.32 0.00 0.00 176.35 177.27 3d5r n LYS 214 N 4.34 0.67 0.00 1.98 -0.00 -1.26 -4.54 118.16 119.35 3d5r n LYS 214 Ca 0.16 -1.58 0.00 0.00 -0.00 0.00 0.00 58.31 56.89 3d5r n LYS 214 Cb 0.47 1.83 0.00 0.00 -0.00 0.00 0.00 35.03 37.33 3d5r n LYS 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3d5r n GLY 215 N -0.36 3.21 0.23 2.58 0.00 -1.26 -1.68 105.19 107.91 3d5r n GLY 215 Ca -0.04 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.87 3d5r n GLY 215 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d5r h PRO 216 N 0.00 0.00 -0.13 1.61 0.13 -1.99 -2.59 132.00 129.02 3d5r h PRO 216 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 3d5r h PRO 216 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3d5r h PRO 216 CO 0.00 0.21 0.00 -0.07 -0.23 0.00 0.00 178.00 177.91 3d5r h LEU 217 N 0.00 0.23 -0.78 1.56 4.07 -1.70 -0.42 115.31 118.26 3d5r h LEU 217 Ca -0.00 -0.31 -0.02 0.00 0.08 0.00 0.00 57.88 57.63 3d5r h LEU 217 Cb 0.54 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.19 3d5r h LEU 217 CO 0.03 0.48 0.40 0.25 -1.08 0.00 0.00 178.44 178.52 3d5r h LEU 218 N -0.03 1.00 -0.58 1.67 5.85 -1.39 -0.27 115.31 121.55 3d5r h LEU 218 Ca 0.04 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3d5r h LEU 218 Cb 0.36 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3d5r h LEU 218 CO 0.01 0.83 0.38 -1.13 -0.34 0.00 0.00 178.44 178.19 3d5r h ASN 219 N 1.09 0.64 0.21 1.25 -1.24 -1.27 -0.09 115.58 116.18 3d5r h ASN 219 Ca 0.27 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.27 3d5r h ASN 219 Cb 0.08 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 3d5r h ASN 219 CO -0.04 0.46 -0.15 0.50 -1.29 0.00 0.00 177.43 176.91 3d5r h LYS 220 N 0.76 -0.35 -0.34 6.67 3.64 -0.41 -0.28 116.57 126.25 3d5r h LYS 220 Ca 0.22 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.70 3d5r h LYS 220 Cb -0.06 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 31.76 3d5r h LYS 220 CO -0.06 -0.24 -0.23 0.35 -2.27 0.00 0.00 179.45 177.00 3d5r h PHE 221 N -0.37 -0.60 -0.17 1.91 3.57 -0.62 -1.04 116.94 119.62 3d5r h PHE 221 Ca -0.01 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3d5r h PHE 221 Cb 0.32 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3d5r h PHE 221 CO -0.11 -0.31 0.02 -0.07 -2.23 0.00 0.00 178.31 175.62 3d5r h LEU 222 N -0.19 0.28 -0.42 0.59 3.38 -0.90 -3.02 115.31 115.03 3d5r h LEU 222 Ca 0.17 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3d5r h LEU 222 Cb 0.45 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3d5r h LEU 222 CO -0.45 0.47 0.00 0.35 0.09 0.00 0.00 178.44 178.90 3d5r n THR 223 N -4.77 0.98 0.15 0.22 -2.24 -0.13 -2.20 114.28 106.29 3d5r n THR 223 Ca -0.05 0.29 0.02 0.00 -2.27 0.00 0.00 64.05 62.04 3d5r n THR 223 Cb 0.19 -1.15 0.19 0.00 -2.10 0.00 0.00 70.33 67.45 3d5r n THR 223 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3d5r h THR 224 N 0.00 1.10 -4.01 4.28 2.02 -1.05 -3.45 112.91 111.79 3d5r h THR 224 Ca 0.00 -2.01 -0.54 0.00 0.77 0.00 0.00 66.41 64.62 3d5r h THR 224 Cb 0.27 2.18 0.12 0.00 -1.74 0.00 0.00 68.15 68.99 3d5r h THR 224 CO 0.00 0.52 0.65 0.00 0.37 0.00 0.00 175.52 177.05 3d5r s ALA 225 N -3.37 3.04 -0.21 6.16 0.00 -0.94 -4.79 121.76 121.65 3d5r s ALA 225 Ca 0.01 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.17 3d5r s ALA 225 Cb 0.11 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 3d5r s ALA 225 CO 0.73 -1.23 0.45 0.15 0.00 0.00 0.00 175.76 175.86 3d5r s LYS 226 N -2.65 4.16 -1.59 0.00 -0.14 0.14 -4.03 119.74 115.63 3d5r s LYS 226 Ca 0.66 0.28 0.00 0.00 -1.36 0.00 0.00 55.97 55.54 3d5r s LYS 226 Cb -0.41 -3.56 0.00 0.00 -1.68 0.00 0.00 37.83 32.17 3d5r s LYS 226 CO 0.51 -0.12 0.00 -0.25 -0.76 0.00 0.00 175.35 174.73 3d5r n ASP 227 N 4.74 -4.66 -1.96 2.83 8.00 -1.26 -1.98 116.55 122.25 3d5r n ASP 227 Ca -0.07 0.25 -0.16 0.00 0.71 0.00 0.00 54.79 55.52 3d5r n ASP 227 Cb 0.51 -4.06 -0.04 0.00 -0.02 0.00 0.00 41.12 37.51 3d5r n ASP 227 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3d5r n LYS 228 N -2.51 -1.69 0.00 -1.24 5.02 -1.26 -4.77 118.16 111.71 3d5r n LYS 228 Ca -0.18 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 3d5r n LYS 228 Cb 0.60 -5.31 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 3d5r n LYS 228 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3d5r n ASN 229 N -1.36 0.12 -3.47 4.39 2.04 -0.84 -4.41 115.26 111.73 3d5r n ASN 229 Ca -0.17 -0.70 -0.14 0.00 -0.44 0.00 0.00 54.58 53.13 3d5r n ASN 229 Cb 0.58 0.06 -0.04 0.00 -2.53 0.00 0.00 39.78 37.86 3d5r n ASN 229 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3d5r s ARG 230 N -0.06 1.13 -0.28 -3.83 1.70 -1.17 -4.21 118.95 112.22 3d5r s ARG 230 Ca 0.00 -0.14 -0.01 0.00 -0.47 0.00 0.00 55.73 55.11 3d5r s ARG 230 Cb 0.00 0.53 0.05 0.00 -0.57 0.00 0.00 34.95 34.95 3d5r s ARG 230 CO 0.00 -0.44 -0.03 -1.58 -1.08 0.00 0.00 175.30 172.17 3d5r s TRP 231 N -2.57 3.22 0.05 5.89 0.51 -1.26 0.28 118.94 125.06 3d5r s TRP 231 Ca -0.04 -1.86 0.00 0.00 -2.12 0.00 0.00 56.10 52.08 3d5r s TRP 231 Cb -0.01 -2.07 -0.03 0.00 -0.81 0.00 0.00 33.47 30.55 3d5r s TRP 231 CO -0.03 -0.80 -0.04 -1.83 -0.51 0.00 0.00 176.95 173.74 3d5r s GLU 232 N 1.25 0.59 0.11 4.98 -1.05 -1.26 -4.14 118.70 119.18 3d5r s GLU 232 Ca -0.05 -1.07 0.02 0.00 -0.15 0.00 0.00 54.97 53.73 3d5r s GLU 232 Cb -0.19 0.03 -0.04 0.00 -0.44 0.00 0.00 34.13 33.49 3d5r s GLU 232 CO -0.02 -0.06 -0.07 -0.51 0.95 0.00 0.00 175.26 175.55 3d5r s ASP 233 N -2.49 1.28 -0.10 0.83 1.01 -1.26 -4.66 116.67 111.29 3d5r s ASP 233 Ca 0.01 -0.99 -0.29 0.00 0.71 0.00 0.00 52.55 51.99 3d5r s ASP 233 Cb 0.01 0.07 -0.04 0.00 1.01 0.00 0.00 42.92 43.97 3d5r s ASP 233 CO -0.06 -0.42 1.60 -2.16 0.21 0.00 0.00 175.17 174.34 3d5r s PRO 234 N -3.73 4.11 0.00 8.23 0.04 -1.26 -4.76 135.00 137.63 3d5r s PRO 234 Ca 0.12 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.19 3d5r s PRO 234 Cb 0.04 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.61 3d5r s PRO 234 CO -0.03 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.49 3d5r n GLY 235 N 4.18 -0.52 3.74 0.56 0.00 -1.26 -5.12 105.19 106.77 3d5r n GLY 235 Ca 0.17 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 3d5r n GLY 235 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5r s LYS 236 N -1.64 4.25 0.50 1.61 -0.14 -1.26 -4.89 119.74 118.17 3d5r s LYS 236 Ca 0.00 2.33 0.15 0.00 -1.36 0.00 0.00 55.97 57.09 3d5r s LYS 236 Cb 0.00 -3.11 1.20 0.00 -1.68 0.00 0.00 37.83 34.24 3d5r s LYS 236 CO 0.00 -0.46 2.12 1.96 -0.76 0.00 0.00 175.35 178.21 3d5r h GLN 237 N 5.22 0.06 -0.56 1.68 1.08 -2.00 -1.98 115.11 118.62 3d5r h GLN 237 Ca -0.46 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.78 3d5r h GLN 237 Cb 1.22 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.60 3d5r h GLN 237 CO 0.79 0.06 0.37 -0.07 -0.95 0.00 0.00 178.83 179.03 3d5r h LEU 238 N 0.06 0.53 -0.93 1.46 3.38 -1.98 -1.17 115.31 116.66 3d5r h LEU 238 Ca 0.02 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3d5r h LEU 238 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3d5r h LEU 238 CO -0.00 0.36 -0.25 1.88 0.09 0.00 0.00 178.44 180.52 3d5r h TYR 239 N 0.61 0.55 -0.13 1.13 0.05 -1.74 -1.71 116.97 115.74 3d5r h TYR 239 Ca 0.23 -0.12 -0.18 0.00 0.05 0.00 0.00 58.73 58.71 3d5r h TYR 239 Cb 0.15 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 3d5r h TYR 239 CO -0.00 0.70 -0.67 -0.91 -1.05 0.00 0.00 178.16 176.23 3d5r h ASN 240 N 0.44 0.59 -0.58 3.88 2.35 -1.29 0.18 115.58 121.14 3d5r h ASN 240 Ca 0.06 -0.36 -0.07 0.00 -0.55 0.00 0.00 56.30 55.38 3d5r h ASN 240 Cb 0.67 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 3d5r h ASN 240 CO 0.05 1.09 0.07 0.58 -1.65 0.00 0.00 177.43 177.58 3d5r h VAL 241 N 0.36 1.26 -0.28 2.81 2.07 -1.10 0.60 116.25 121.98 3d5r h VAL 241 Ca -0.02 -1.02 -0.07 0.00 0.82 0.00 0.00 66.70 66.41 3d5r h VAL 241 Cb 1.24 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3d5r h VAL 241 CO 0.12 0.37 -0.11 -0.08 0.02 0.00 0.00 177.57 177.89 3d5r h GLU 242 N 0.87 0.57 0.10 1.57 4.81 -1.18 -2.04 114.58 119.27 3d5r h GLU 242 Ca 0.17 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3d5r h GLU 242 Cb 0.45 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3d5r h GLU 242 CO 0.02 0.80 -0.05 0.00 -0.73 0.00 0.00 179.01 179.04 3d5r h ALA 243 N 0.76 -0.13 0.00 2.92 0.00 -0.48 -1.63 119.26 120.70 3d5r h ALA 243 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3d5r h ALA 243 Cb 0.61 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3d5r h ALA 243 CO 0.04 -0.56 -0.13 1.15 0.00 0.00 0.00 179.25 179.75 3d5r h THR 244 N -0.17 0.86 -0.28 0.00 2.02 -0.90 -0.48 112.91 113.97 3d5r h THR 244 Ca -0.01 -0.48 -0.17 0.00 0.77 0.00 0.00 66.41 66.51 3d5r h THR 244 Cb 0.13 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3d5r h THR 244 CO 0.02 0.13 -0.51 0.28 0.37 0.00 0.00 175.52 175.81 3d5r h SER 245 N 0.00 0.93 -0.66 4.18 0.02 -0.94 -0.21 113.55 116.88 3d5r h SER 245 Ca -0.00 -0.53 -0.06 0.00 -0.84 0.00 0.00 61.79 60.36 3d5r h SER 245 Cb 0.26 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3d5r h SER 245 CO 0.02 1.29 0.19 1.88 -1.14 0.00 0.00 176.83 179.06 3d5r h TYR 246 N 0.61 1.07 -0.83 3.45 0.05 -0.37 -1.66 116.97 119.29 3d5r h TYR 246 Ca 0.02 -0.12 0.01 0.00 0.05 0.00 0.00 58.73 58.69 3d5r h TYR 246 Cb 1.12 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 38.51 3d5r h TYR 246 CO 0.08 0.88 0.55 0.00 -1.05 0.00 0.00 178.16 178.61 3d5r h ALA 247 N 1.08 1.05 -0.53 3.88 0.00 -0.89 -0.48 119.26 123.36 3d5r h ALA 247 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3d5r h ALA 247 Cb 0.32 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3d5r h ALA 247 CO -0.00 0.46 0.24 1.25 0.00 0.00 0.00 179.25 181.21 3d5r h LEU 248 N 1.13 0.71 -1.45 0.00 5.85 -0.60 0.03 115.31 120.98 3d5r h LEU 248 Ca 0.30 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3d5r h LEU 248 Cb -0.13 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 3d5r h LEU 248 CO -0.07 0.65 0.21 -0.07 -0.34 0.00 0.00 178.44 178.82 3d5r h LEU 249 N 0.72 0.52 -0.12 2.25 3.38 -0.66 -0.35 115.31 121.04 3d5r h LEU 249 Ca 0.18 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3d5r h LEU 249 Cb 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3d5r h LEU 249 CO -0.02 0.44 -0.08 0.00 0.09 0.00 0.00 178.44 178.87 3d5r h ALA 250 N 1.65 0.17 -0.97 1.53 0.00 -0.37 -1.92 119.26 119.34 3d5r h ALA 250 Ca 0.15 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3d5r h ALA 250 Cb 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3d5r h ALA 250 CO -0.02 -0.03 0.63 -0.07 0.00 0.00 0.00 179.25 179.76 3d5r h LEU 251 N -0.11 1.04 -0.81 0.00 3.38 -0.49 -0.17 115.31 118.14 3d5r h LEU 251 Ca 0.02 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3d5r h LEU 251 Cb 0.56 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3d5r h LEU 251 CO 0.02 0.70 -0.09 -0.07 0.09 0.00 0.00 178.44 179.08 3d5r h LEU 252 N 1.20 0.78 -1.15 1.67 3.38 -1.01 0.77 115.31 120.94 3d5r h LEU 252 Ca 0.40 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3d5r h LEU 252 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3d5r h LEU 252 CO -0.14 0.90 -0.05 -0.61 0.09 0.00 0.00 178.44 178.63 3d5r h GLN 253 N 0.72 0.53 0.00 1.13 5.75 -0.45 -1.79 115.11 120.99 3d5r h GLN 253 Ca 0.12 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3d5r h GLN 253 Cb 0.57 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.06 3d5r h GLN 253 CO 0.04 0.59 -0.13 -0.07 -2.65 0.00 0.00 178.83 176.61 3d5r h LEU 254 N 0.50 0.00 1.40 -2.39 3.38 -0.50 -3.47 115.31 114.22 3d5r h LEU 254 Ca 0.10 -0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.78 3d5r h LEU 254 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 3d5r h LEU 254 CO 0.02 0.01 -0.38 0.29 0.09 0.00 0.00 178.44 178.47 3d5r n LYS 255 N -2.66 -1.95 -2.18 1.13 5.02 0.16 -4.91 118.16 112.78 3d5r n LYS 255 Ca 0.04 0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 56.56 3d5r n LYS 255 Cb 0.48 -4.91 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 3d5r n LYS 255 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3d5r n ASP 256 N -0.82 5.85 0.00 4.39 -0.08 -0.59 -4.77 116.55 120.52 3d5r n ASP 256 Ca -0.13 -3.08 0.05 0.00 -1.51 0.00 0.00 54.79 50.11 3d5r n ASP 256 Cb 0.61 -1.46 0.25 0.00 2.34 0.00 0.00 41.12 42.86 3d5r n ASP 256 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3d5r n PHE 257 N 3.46 0.00 0.09 -0.67 3.72 -1.26 -2.14 117.46 120.66 3d5r n PHE 257 Ca 0.47 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.73 3d5r n PHE 257 Cb 0.33 -0.28 -0.14 0.00 -0.94 0.00 0.00 39.48 38.45 3d5r n PHE 257 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3d5r h ASP 258 N 0.00 0.33 1.32 4.37 5.19 -1.98 -3.31 116.42 122.34 3d5r h ASP 258 Ca 0.00 -0.36 -0.02 0.00 -0.62 0.00 0.00 57.03 56.03 3d5r h ASP 258 Cb 0.09 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.49 3d5r h ASP 258 CO 0.00 1.28 -0.69 0.15 -3.12 0.00 0.00 179.24 176.86 3d5r h PHE 259 N 0.06 0.00 0.23 4.55 3.04 -1.85 -3.40 116.94 119.57 3d5r h PHE 259 Ca -0.11 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.83 3d5r h PHE 259 Cb 1.93 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.44 3d5r h PHE 259 CO 0.05 0.08 -0.11 0.28 -2.02 0.00 0.00 178.31 176.58 3d5r h VAL 260 N 0.00 0.80 -0.90 1.41 2.07 -1.62 -3.34 116.25 114.67 3d5r h VAL 260 Ca -0.01 -0.17 0.17 0.00 0.82 0.00 0.00 66.70 67.50 3d5r h VAL 260 Cb 1.07 0.91 -0.17 0.00 -1.52 0.00 0.00 31.29 31.58 3d5r h VAL 260 CO 0.01 0.04 -0.26 -0.65 0.02 0.00 0.00 177.57 176.73 3d5r h PRO 261 N -0.40 -0.01 -0.65 1.57 0.11 -1.78 0.41 132.00 131.24 3d5r h PRO 261 Ca -0.03 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 3d5r h PRO 261 Cb 0.31 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 3d5r h PRO 261 CO 0.05 -0.01 0.30 -1.35 -0.21 0.00 0.00 178.00 176.78 3d5r h PRO 262 N -0.01 0.93 -0.19 1.05 0.11 -1.86 -0.48 132.00 131.54 3d5r h PRO 262 Ca 0.41 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 66.36 3d5r h PRO 262 Cb 0.64 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3d5r h PRO 262 CO -0.92 0.73 0.00 0.28 -0.21 0.00 0.00 178.00 177.87 3d5r h VAL 263 N 0.92 1.25 -0.70 3.15 2.07 -1.10 -0.48 116.25 121.36 3d5r h VAL 263 Ca 0.22 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 3d5r h VAL 263 Cb 0.12 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3d5r h VAL 263 CO -0.03 0.26 0.26 0.58 0.02 0.00 0.00 177.57 178.67 3d5r h VAL 264 N 0.10 1.24 -0.39 2.57 2.07 -1.01 -1.57 116.25 119.25 3d5r h VAL 264 Ca 0.05 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3d5r h VAL 264 Cb 0.39 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3d5r h VAL 264 CO 0.01 0.31 0.20 -0.09 0.02 0.00 0.00 177.57 178.02 3d5r h ARG 265 N 1.02 0.56 -0.47 1.57 2.43 -0.85 -1.25 114.38 117.39 3d5r h ARG 265 Ca 0.23 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3d5r h ARG 265 Cb 0.22 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3d5r h ARG 265 CO -0.02 0.48 0.25 2.35 -1.51 0.00 0.00 179.97 181.52 3d5r h TRP 266 N 0.50 0.66 -0.08 2.20 7.01 -0.70 0.04 115.95 125.58 3d5r h TRP 266 Ca 0.14 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.12 3d5r h TRP 266 Cb 0.09 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 3d5r h TRP 266 CO -0.02 0.50 0.04 -0.07 -2.79 0.00 0.00 178.44 176.10 3d5r h LEU 267 N 0.62 0.07 -0.55 0.65 3.38 -1.09 -2.27 115.31 116.13 3d5r h LEU 267 Ca 0.17 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3d5r h LEU 267 Cb 0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3d5r h LEU 267 CO -0.03 0.05 0.35 0.78 0.09 0.00 0.00 178.44 179.69 3d5r h ASN 268 N 0.09 0.60 0.05 -0.43 2.35 -1.03 -1.28 115.58 115.94 3d5r h ASN 268 Ca 0.03 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3d5r h ASN 268 Cb -0.00 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.22 3d5r h ASN 268 CO -0.02 0.43 0.00 -0.33 -1.65 0.00 0.00 177.43 175.87 3d5r h GLU 269 N 0.72 0.00 0.00 0.81 5.08 -0.70 0.51 114.58 121.00 3d5r h GLU 269 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3d5r h GLU 269 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3d5r h GLU 269 CO -0.06 0.00 0.00 1.96 -1.00 0.00 0.00 179.01 179.91 3d5r h GLN 270 N 0.00 0.00 -6.65 2.33 1.08 -0.64 -3.47 115.11 107.76 3d5r h GLN 270 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 3d5r h GLN 270 Cb 0.03 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.39 3d5r h GLN 270 CO 0.00 0.00 -0.93 0.54 -0.95 0.00 0.00 178.83 177.49 3d5r n ARG 271 N -2.97 -2.14 -3.53 1.46 1.74 0.17 -4.91 116.66 106.48 3d5r n ARG 271 Ca 0.03 0.30 -0.41 0.00 -0.77 0.00 0.00 57.85 57.00 3d5r n ARG 271 Cb 0.41 -4.04 -0.11 0.00 -1.02 0.00 0.00 32.46 27.70 3d5r n ARG 271 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3d5r s TYR 272 N -3.95 3.23 -0.21 -1.55 5.04 -1.26 -4.95 117.35 113.69 3d5r s TYR 272 Ca 0.11 -0.47 0.15 0.00 -2.44 0.00 0.00 57.07 54.42 3d5r s TYR 272 Cb -0.05 -2.49 0.62 0.00 0.35 0.00 0.00 41.96 40.38 3d5r s TYR 272 CO 0.92 -0.48 1.53 0.66 -1.34 0.00 0.00 175.55 176.84 3d5r n TYR 273 N 5.09 1.34 -1.09 4.97 4.01 -1.26 -5.05 117.16 125.17 3d5r n TYR 273 Ca -0.12 -0.91 0.15 0.00 -0.16 0.00 0.00 57.90 56.85 3d5r n TYR 273 Cb 0.48 -0.40 -0.04 0.00 -0.31 0.00 0.00 39.34 39.07 3d5r n TYR 273 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d5r n GLY 274 N -0.26 -1.75 0.00 2.72 0.00 -1.26 -4.88 105.19 99.76 3d5r n GLY 274 Ca 0.25 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3d5r n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5r n GLY 275 N -3.46 -0.36 0.00 -0.02 0.00 -1.26 -5.00 105.19 95.10 3d5r n GLY 275 Ca 0.01 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3d5r n GLY 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5r n GLY 276 N 0.11 1.62 3.63 -0.02 0.00 -1.26 -4.72 105.19 104.55 3d5r n GLY 276 Ca 0.00 -1.95 -0.50 0.00 0.00 0.00 0.00 46.02 43.58 3d5r n GLY 276 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3d5r n TYR 277 N 1.90 1.84 -1.12 1.61 9.36 -1.26 -1.90 117.16 127.58 3d5r n TYR 277 Ca 0.00 0.48 -0.04 0.00 3.32 0.00 0.00 57.90 61.66 3d5r n TYR 277 Cb 0.00 -2.42 -0.02 0.00 -0.63 0.00 0.00 39.34 36.27 3d5r n TYR 277 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3d5r n GLY 278 N 2.93 0.63 0.58 2.98 0.00 -1.26 -4.90 105.19 106.15 3d5r n GLY 278 Ca 0.18 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3d5r n GLY 278 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d5r n SER 279 N -0.15 2.11 -0.11 1.61 3.41 -0.80 -4.71 113.62 114.99 3d5r n SER 279 Ca -0.04 -1.56 -0.08 0.00 -0.26 0.00 0.00 58.87 56.93 3d5r n SER 279 Cb 0.28 0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 3d5r n SER 279 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3d5r h THR 280 N 2.84 0.00 -0.59 6.66 2.02 -1.83 0.31 112.91 122.32 3d5r h THR 280 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3d5r h THR 280 Cb 0.77 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3d5r h THR 280 CO 0.00 0.00 0.34 1.56 0.37 0.00 0.00 175.52 177.79 3d5r h GLN 281 N -0.20 0.81 -0.35 6.66 1.08 -1.84 -1.40 115.11 119.87 3d5r h GLN 281 Ca 0.05 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 3d5r h GLN 281 Cb 0.34 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 3d5r h GLN 281 CO -0.40 0.60 -0.06 0.00 -0.95 0.00 0.00 178.83 178.02 3d5r h ALA 282 N 1.16 1.23 0.03 3.87 0.00 -1.77 0.15 119.26 123.95 3d5r h ALA 282 Ca 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3d5r h ALA 282 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3d5r h ALA 282 CO -0.04 0.50 -0.02 1.15 0.00 0.00 0.00 179.25 180.85 3d5r h THR 283 N 0.55 1.29 -0.04 0.00 2.02 -0.08 -1.63 112.91 115.01 3d5r h THR 283 Ca 0.11 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 3d5r h THR 283 Cb 0.44 1.99 -0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3d5r h THR 283 CO 0.02 0.27 0.03 0.15 0.37 0.00 0.00 175.52 176.36 3d5r h PHE 284 N -0.52 0.06 -0.12 3.16 3.04 -1.16 -3.05 116.94 118.35 3d5r h PHE 284 Ca -0.00 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 3d5r h PHE 284 Cb 0.48 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.96 3d5r h PHE 284 CO 0.08 0.08 -0.02 0.52 -2.02 0.00 0.00 178.31 176.96 3d5r h MET 285 N 0.01 0.23 -0.84 1.11 2.86 -1.02 -1.36 114.93 115.91 3d5r h MET 285 Ca 0.02 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.63 3d5r h MET 285 Cb 0.04 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.63 3d5r h MET 285 CO -0.00 0.51 0.52 -0.24 1.06 0.00 0.00 176.91 178.76 3d5r h VAL 286 N -0.08 1.06 0.00 -2.22 3.04 -1.36 -0.38 116.25 116.31 3d5r h VAL 286 Ca 0.03 -0.33 -0.11 0.00 -1.01 0.00 0.00 66.70 65.27 3d5r h VAL 286 Cb 0.42 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.68 3d5r h VAL 286 CO 0.01 0.18 -0.60 -0.26 -1.01 0.00 0.00 177.57 175.89 3d5r h PHE 287 N 0.97 0.00 -0.34 3.17 0.04 -1.52 -0.43 116.94 118.83 3d5r h PHE 287 Ca 0.36 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.99 3d5r h PHE 287 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 3d5r h PHE 287 CO -0.03 0.53 -0.33 0.37 -0.60 0.00 0.00 178.31 178.24 3d5r h GLN 288 N 0.00 0.82 -0.18 1.51 4.15 -0.92 -0.86 115.11 119.63 3d5r h GLN 288 Ca -0.02 -0.43 -0.03 0.00 0.77 0.00 0.00 58.65 58.94 3d5r h GLN 288 Cb 1.42 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.11 3d5r h GLN 288 CO 0.07 1.07 -0.02 0.00 -1.93 0.00 0.00 178.83 178.01 3d5r h ALA 289 N 0.74 0.24 -0.45 3.38 0.00 -1.02 -0.32 119.26 121.83 3d5r h ALA 289 Ca 0.05 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3d5r h ALA 289 Cb 0.91 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3d5r h ALA 289 CO 0.08 -0.01 -0.14 -0.07 0.00 0.00 0.00 179.25 179.11 3d5r h LEU 290 N 0.06 0.84 -0.12 0.00 3.38 -1.09 0.38 115.31 118.77 3d5r h LEU 290 Ca 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3d5r h LEU 290 Cb 0.44 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3d5r h LEU 290 CO 0.01 0.99 0.06 0.00 0.09 0.00 0.00 178.44 179.59 3d5r h ALA 291 N 1.09 0.15 -0.83 1.53 0.00 -1.08 -0.40 119.26 119.71 3d5r h ALA 291 Ca 0.12 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3d5r h ALA 291 Cb 0.65 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3d5r h ALA 291 CO 0.05 -0.30 0.52 0.37 0.00 0.00 0.00 179.25 179.89 3d5r h GLN 292 N 0.07 0.96 -0.12 0.00 5.75 -0.79 0.25 115.11 121.22 3d5r h GLN 292 Ca 0.04 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.50 3d5r h GLN 292 Cb 0.10 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 3d5r h GLN 292 CO -0.01 0.63 -0.00 -0.92 -2.65 0.00 0.00 178.83 175.89 3d5r h TYR 293 N 0.99 -0.01 -0.84 3.99 3.20 -0.49 0.13 116.97 123.94 3d5r h TYR 293 Ca 0.35 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.24 3d5r h TYR 293 Cb 0.09 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 3d5r h TYR 293 CO -0.03 -0.01 0.55 1.96 -1.64 0.00 0.00 178.16 178.99 3d5r h GLN 294 N 0.04 1.08 -0.21 1.82 1.08 -0.38 -1.49 115.11 117.05 3d5r h GLN 294 Ca 0.05 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.09 3d5r h GLN 294 Cb 0.07 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.25 3d5r h GLN 294 CO -0.09 0.71 -0.25 -0.22 -0.95 0.00 0.00 178.83 178.03 3d5r h LYS 295 N 1.11 0.53 0.00 1.46 3.64 -0.22 -3.41 116.57 119.68 3d5r h LYS 295 Ca 0.31 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3d5r h LYS 295 Cb -0.09 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3d5r h LYS 295 CO -0.07 0.89 -0.78 -0.25 -2.27 0.00 0.00 179.45 176.97 3d5r n ASP 296 N -4.38 1.85 -2.70 4.20 8.00 0.37 -5.01 116.55 118.88 3d5r n ASP 296 Ca -0.05 0.54 -0.32 0.00 0.71 0.00 0.00 54.79 55.67 3d5r n ASP 296 Cb 0.44 -0.85 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 3d5r n ASP 296 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d5r n ALA 297 N -3.82 -2.25 0.24 2.24 0.00 -0.58 -5.09 120.51 111.26 3d5r n ALA 297 Ca -0.13 0.30 0.02 0.00 0.00 0.00 0.00 53.44 53.63 3d5r n ALA 297 Cb 0.39 -1.01 0.12 0.00 0.00 0.00 0.00 19.45 18.94 3d5r n ALA 297 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20