#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4r s ARG 41 N 0.43 0.70 -0.00 0.00 3.52 -1.26 -4.83 118.95 117.51 1m4r s ARG 41 Ca 0.51 0.02 0.02 0.00 -0.13 0.00 0.00 55.73 56.15 1m4r s ARG 41 Cb -0.24 0.33 -0.01 0.00 -1.56 0.00 0.00 34.95 33.47 1m4r s ARG 41 CO 0.30 -0.25 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.96 1m4r s LEU 42 N -1.54 2.02 0.38 -0.88 1.43 0.05 -4.86 118.68 115.28 1m4r s LEU 42 Ca -0.00 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 52.69 1m4r s LEU 42 Cb -0.01 -0.33 -0.09 0.00 0.03 0.00 0.00 46.19 45.79 1m4r s LEU 42 CO -0.01 0.07 1.28 -1.81 0.23 0.00 0.00 176.35 176.11 1m4r s ASP 43 N -0.22 6.51 0.42 2.29 1.11 -1.26 -4.14 116.67 121.38 1m4r s ASP 43 Ca 0.02 2.61 0.17 0.00 0.18 0.00 0.00 52.55 55.52 1m4r s ASP 43 Cb -0.03 -2.64 1.06 0.00 1.07 0.00 0.00 42.92 42.39 1m4r s ASP 43 CO -0.00 -0.71 1.87 0.11 1.18 0.00 0.00 175.17 177.62 1m4r h LYS 44 N 2.91 0.41 -0.95 8.23 1.57 -1.98 -1.01 116.57 125.76 1m4r h LYS 44 Ca -0.49 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.40 1m4r h LYS 44 Cb 1.24 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 33.38 1m4r h LYS 44 CO 0.63 0.27 0.60 0.77 -0.57 0.00 0.00 179.45 181.16 1m4r h SER 45 N 0.42 0.79 -0.33 0.86 0.02 -1.97 -1.04 113.55 112.31 1m4r h SER 45 Ca 0.45 0.05 0.10 0.00 -0.84 0.00 0.00 61.79 61.54 1m4r h SER 45 Cb 1.09 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1m4r h SER 45 CO -0.17 0.40 0.27 0.78 -1.14 0.00 0.00 176.83 176.97 1m4r h ASN 46 N 0.84 0.00 -0.41 3.07 4.21 -1.55 -1.92 115.58 119.82 1m4r h ASN 46 Ca 0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.99 1m4r h ASN 46 Cb 0.62 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 1m4r h ASN 46 CO -0.24 0.00 0.00 0.49 -1.29 0.00 0.00 177.43 176.39 1m4r n PHE 47 N -4.21 0.54 -2.28 1.19 3.72 -0.41 -4.63 117.46 111.38 1m4r n PHE 47 Ca 0.05 -0.36 -0.41 0.00 -0.05 0.00 0.00 57.45 56.68 1m4r n PHE 47 Cb 0.44 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1m4r n PHE 47 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1m4r n GLN 48 N 1.10 4.54 -3.66 -1.08 6.02 -0.72 -4.77 117.38 118.80 1m4r n GLN 48 Ca 0.16 -3.80 -0.29 0.00 -0.01 0.00 0.00 57.00 53.06 1m4r n GLN 48 Cb 0.51 -2.65 -0.12 0.00 1.02 0.00 0.00 30.24 28.99 1m4r n GLN 48 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1m4r s GLN 49 N -1.56 1.27 0.23 -1.09 1.11 -1.26 -4.99 119.66 113.36 1m4r s GLN 49 Ca 0.46 -2.08 -0.07 0.00 0.01 0.00 0.00 55.36 53.68 1m4r s GLN 49 Cb 0.15 -2.20 0.20 0.00 -1.01 0.00 0.00 33.01 30.15 1m4r s GLN 49 CO -0.06 -1.21 1.84 -1.00 0.01 0.00 0.00 175.29 174.87 1m4r h PRO 50 N 6.48 1.23 0.53 2.91 0.13 -2.00 -1.84 132.00 139.44 1m4r h PRO 50 Ca 0.05 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 65.01 1m4r h PRO 50 Cb 0.91 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1m4r h PRO 50 CO 0.47 0.91 -0.34 -0.92 -0.23 0.00 0.00 178.00 177.89 1m4r h TYR 51 N 1.23 -0.89 -0.45 1.56 3.20 -2.00 -1.28 116.97 118.34 1m4r h TYR 51 Ca 0.31 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 1m4r h TYR 51 Cb 0.05 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1m4r h TYR 51 CO 0.01 -0.51 0.24 0.82 -1.64 0.00 0.00 178.16 177.08 1m4r h ILE 52 N -0.82 1.15 -0.06 1.81 2.04 -1.97 -0.52 117.51 119.13 1m4r h ILE 52 Ca -0.06 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1m4r h ILE 52 Cb 0.68 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1m4r h ILE 52 CO 0.05 0.16 0.03 0.74 0.00 0.00 0.00 178.15 179.13 1m4r h THR 53 N 0.63 1.11 -0.57 -0.27 2.02 -1.07 0.14 112.91 114.89 1m4r h THR 53 Ca 0.16 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1m4r h THR 53 Cb 0.03 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1m4r h THR 53 CO -0.03 0.09 0.34 0.78 0.37 0.00 0.00 175.52 177.07 1m4r h ASN 54 N -0.04 0.69 0.01 4.18 4.21 -0.76 -1.68 115.58 122.20 1m4r h ASN 54 Ca 0.02 -0.07 -0.06 0.00 1.21 0.00 0.00 56.30 57.40 1m4r h ASN 54 Cb 0.12 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 1m4r h ASN 54 CO -0.00 0.56 -0.16 0.03 -1.29 0.00 0.00 177.43 176.57 1m4r h ARG 55 N 0.77 0.30 -0.35 0.81 2.47 -0.89 -0.58 114.38 116.91 1m4r h ARG 55 Ca 0.20 -0.08 -0.08 0.00 -1.26 0.00 0.00 59.98 58.76 1m4r h ARG 55 Cb -0.00 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 1m4r h ARG 55 CO -0.04 0.46 -0.10 1.15 0.56 0.00 0.00 179.97 182.00 1m4r h THR 56 N 0.28 1.28 -0.08 2.04 2.02 -0.17 -0.35 112.91 117.93 1m4r h THR 56 Ca 0.05 -1.18 -0.08 0.00 0.77 0.00 0.00 66.41 65.97 1m4r h THR 56 Cb 0.45 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1m4r h THR 56 CO 0.03 0.39 -0.34 -0.26 0.37 0.00 0.00 175.52 175.70 1m4r h PHE 57 N 0.48 0.17 -0.27 3.16 -1.00 -0.87 -0.89 116.94 117.71 1m4r h PHE 57 Ca 0.09 -0.04 -0.19 0.00 2.81 0.00 0.00 57.97 60.64 1m4r h PHE 57 Cb 0.62 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.14 1m4r h PHE 57 CO 0.05 0.48 -0.57 0.52 -1.61 0.00 0.00 178.31 177.18 1m4r h MET 58 N 0.13 0.87 -0.44 1.51 2.86 -0.82 -0.91 114.93 118.14 1m4r h MET 58 Ca 0.02 -0.57 -0.01 0.00 -2.06 0.00 0.00 59.70 57.07 1m4r h MET 58 Cb 0.67 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1m4r h MET 58 CO 0.05 1.20 0.23 1.25 1.06 0.00 0.00 176.91 180.71 1m4r h LEU 59 N 0.66 0.56 -0.79 1.22 5.85 -0.77 -0.97 115.31 121.07 1m4r h LEU 59 Ca 0.01 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1m4r h LEU 59 Cb 1.19 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1m4r h LEU 59 CO 0.13 0.50 0.42 0.00 -0.34 0.00 0.00 178.44 179.15 1m4r h ALA 60 N 1.08 1.01 -0.41 1.25 0.00 -1.06 -1.90 119.26 119.22 1m4r h ALA 60 Ca 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1m4r h ALA 60 Cb 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1m4r h ALA 60 CO -0.02 0.53 0.19 0.87 0.00 0.00 0.00 179.25 180.82 1m4r h LYS 61 N 1.10 0.60 -0.07 0.00 1.57 -0.80 -0.23 116.57 118.73 1m4r h LYS 61 Ca 0.28 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1m4r h LYS 61 Cb 0.05 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1m4r h LYS 61 CO -0.04 0.54 0.04 1.49 -0.57 0.00 0.00 179.45 180.90 1m4r h GLU 62 N 0.52 0.08 -0.26 3.15 4.57 -0.89 -2.50 114.58 119.25 1m4r h GLU 62 Ca 0.14 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.23 1m4r h GLU 62 Cb 0.14 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1m4r h GLU 62 CO -0.02 0.06 -0.19 0.00 -1.18 0.00 0.00 179.01 177.68 1m4r h ALA 63 N 1.03 1.19 0.00 2.92 0.00 -1.30 -2.61 119.26 120.48 1m4r h ALA 63 Ca 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1m4r h ALA 63 Cb -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1m4r h ALA 63 CO -0.01 0.52 -0.03 0.77 0.00 0.00 0.00 179.25 180.50 1m4r h SER 64 N 0.42 0.00 -0.00 0.00 0.02 -0.60 -1.67 113.55 111.72 1m4r h SER 64 Ca 0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1m4r h SER 64 Cb 0.58 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1m4r h SER 64 CO 0.04 0.03 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.65 1m4r h LEU 65 N 0.00 0.10 -2.17 5.07 3.38 -1.15 -2.08 115.31 118.46 1m4r h LEU 65 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1m4r h LEU 65 Cb 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1m4r h LEU 65 CO 0.00 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1m4r n ALA 66 N -2.51 2.43 -2.72 1.53 0.00 -0.63 -4.91 120.51 113.70 1m4r n ALA 66 Ca -0.02 -0.94 -0.33 0.00 0.00 0.00 0.00 53.44 52.15 1m4r n ALA 66 Cb 0.16 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 1m4r n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1m4r s ASP 67 N -1.48 4.45 -0.34 0.00 2.15 -0.78 -4.99 116.67 115.68 1m4r s ASP 67 Ca 0.38 -0.13 -0.29 0.00 0.43 0.00 0.00 52.55 52.95 1m4r s ASP 67 Cb 0.22 -1.31 -0.00 0.00 -0.30 0.00 0.00 42.92 41.53 1m4r s ASP 67 CO 0.31 0.29 1.50 0.21 -0.17 0.00 0.00 175.17 177.31 1m4r s ASN 68 N -0.37 6.33 0.21 -0.34 2.47 -1.26 -4.89 114.94 117.08 1m4r s ASN 68 Ca 0.05 1.13 -0.10 0.00 0.42 0.00 0.00 52.86 54.37 1m4r s ASN 68 Cb -0.12 -2.54 0.24 0.00 -1.45 0.00 0.00 41.25 37.38 1m4r s ASN 68 CO 0.02 -1.38 1.79 0.78 -3.72 0.00 0.00 177.10 174.59 1m4r h ASN 69 N 10.83 0.46 0.00 -4.21 2.35 -1.98 -1.05 115.58 121.97 1m4r h ASN 69 Ca -0.30 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1m4r h ASN 69 Cb 1.12 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1m4r h ASN 69 CO 1.05 0.29 0.00 0.35 -1.65 0.00 0.00 177.43 177.47 1m4r n THR 70 N -4.85 0.00 -1.73 2.81 -2.24 -1.26 -4.78 114.28 102.23 1m4r n THR 70 Ca 0.08 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.57 1m4r n THR 70 Cb 0.20 -0.59 0.13 0.00 -2.10 0.00 0.00 70.33 67.97 1m4r n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1m4r s ASP 71 N -1.88 3.67 0.59 3.42 2.15 -0.40 -4.99 116.67 119.24 1m4r s ASP 71 Ca 0.24 0.73 -0.18 0.00 0.43 0.00 0.00 52.55 53.77 1m4r s ASP 71 Cb 0.11 -1.15 -0.06 0.00 -0.30 0.00 0.00 42.92 41.52 1m4r s ASP 71 CO 0.18 -2.42 0.77 0.55 -0.17 0.00 0.00 175.17 174.08 1m4r n VAL 72 N -3.65 3.13 -3.47 1.11 3.14 -1.26 -5.01 118.33 112.32 1m4r n VAL 72 Ca 0.09 -0.50 -0.22 0.00 -2.96 0.00 0.00 64.34 60.75 1m4r n VAL 72 Cb 0.60 -0.94 0.02 0.00 -1.06 0.00 0.00 33.84 32.46 1m4r n VAL 72 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1m4r s ARG 73 N -2.49 2.35 0.07 1.45 1.81 -1.26 -5.08 118.95 115.81 1m4r s ARG 73 Ca 0.73 -1.75 0.00 0.00 -1.72 0.00 0.00 55.73 52.99 1m4r s ARG 73 Cb -0.43 -2.39 0.00 0.00 -0.45 0.00 0.00 34.95 31.69 1m4r s ARG 73 CO 0.50 -0.62 0.00 1.28 -0.68 0.00 0.00 175.30 175.78 1m4r n LEU 74 N -1.91 0.68 -4.58 2.53 4.77 -1.26 -5.01 117.00 112.21 1m4r n LEU 74 Ca 0.06 0.10 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 1m4r n LEU 74 Cb 0.63 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1m4r n LEU 74 CO 0.40 -0.50 0.09 -0.63 -1.33 0.00 0.00 177.39 175.41 1m4r s ILE 75 N -2.00 5.15 0.11 -0.08 1.01 -1.26 -4.78 121.20 119.34 1m4r s ILE 75 Ca 0.00 0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.90 1m4r s ILE 75 Cb 0.00 -3.77 0.06 0.00 0.01 0.00 0.00 42.46 38.75 1m4r s ILE 75 CO 0.00 0.04 0.77 0.61 0.00 0.00 0.00 174.94 176.35 1m4r n GLY 76 N 4.76 0.72 0.40 6.18 0.00 -1.26 -5.02 105.19 110.97 1m4r n GLY 76 Ca -0.08 -1.07 0.19 0.00 0.00 0.00 0.00 46.02 45.06 1m4r n GLY 76 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1m4r h GLU 77 N 0.00 0.46 -0.55 1.61 -0.00 -2.00 -0.44 114.58 113.66 1m4r h GLU 77 Ca -0.19 -0.03 0.03 0.00 -0.00 0.00 0.00 59.36 59.18 1m4r h GLU 77 Cb 0.85 -0.10 -0.03 0.00 -0.00 0.00 0.00 28.75 29.47 1m4r h GLU 77 CO 0.25 0.30 0.36 1.57 -0.00 0.00 0.00 179.01 181.50 1m4r h LYS 78 N 0.47 0.62 0.00 1.06 -0.00 -1.95 -0.69 116.57 116.08 1m4r h LYS 78 Ca 0.53 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.65 61.14 1m4r h LYS 78 Cb 1.24 -0.14 -0.00 0.00 -0.00 0.00 0.00 32.23 33.33 1m4r h LYS 78 CO -0.25 0.41 -0.03 1.25 -0.00 0.00 0.00 179.45 180.83 1m4r h LEU 79 N 0.64 0.00 -2.73 7.07 5.85 -1.38 -2.16 115.31 122.60 1m4r h LEU 79 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1m4r h LEU 79 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1m4r h LEU 79 CO -0.06 0.03 0.00 0.49 -0.34 0.00 0.00 178.44 178.56 1m4r n PHE 80 N -3.92 0.99 -1.63 1.25 3.01 -0.27 -4.83 117.46 112.06 1m4r n PHE 80 Ca -0.03 -0.50 -0.49 0.00 1.01 0.00 0.00 57.45 57.45 1m4r n PHE 80 Cb 0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.54 1m4r n PHE 80 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1m4r n HIS 81 N 1.67 2.13 -1.08 1.38 8.25 -0.82 -1.11 115.22 125.65 1m4r n HIS 81 Ca 0.25 0.06 -0.03 0.00 -0.26 0.00 0.00 57.72 57.74 1m4r n HIS 81 Cb 0.63 -2.64 -0.01 0.00 1.12 0.00 0.00 29.99 29.09 1m4r n HIS 81 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1m4r n GLY 82 N 4.97 0.54 3.53 -1.41 0.00 -1.26 -4.91 105.19 106.65 1m4r n GLY 82 Ca 0.27 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1m4r n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m4r s VAL 83 N -1.81 5.24 0.88 1.61 1.01 -0.27 -4.97 120.40 122.10 1m4r s VAL 83 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 1m4r s VAL 83 Cb 0.00 -3.67 0.12 0.00 0.00 0.00 0.00 36.38 32.83 1m4r s VAL 83 CO 0.00 0.02 1.09 -0.94 0.00 0.00 0.00 175.10 175.27 1m4r s SER 84 N 1.72 3.51 0.49 3.32 1.04 -1.26 -4.85 113.70 117.67 1m4r s SER 84 Ca 0.06 1.66 0.14 0.00 0.48 0.00 0.00 55.95 58.30 1m4r s SER 84 Cb -0.17 -2.32 1.16 0.00 0.10 0.00 0.00 66.02 64.79 1m4r s SER 84 CO 0.10 -2.64 2.10 0.24 0.98 0.00 0.00 173.24 174.02 1m4r h MET 85 N -1.55 0.17 0.00 4.02 0.00 -1.99 -1.40 114.93 114.18 1m4r h MET 85 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 59.70 59.21 1m4r h MET 85 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 31.60 32.83 1m4r h MET 85 CO 0.52 0.11 0.00 -1.13 0.00 0.00 0.00 176.91 176.41 1m4r n SER 86 N -4.50 0.42 -0.00 1.22 3.41 -1.26 -3.03 113.62 109.87 1m4r n SER 86 Ca 0.01 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.27 1m4r n SER 86 Cb 0.16 -0.67 -0.11 0.00 -0.26 0.00 0.00 64.21 63.33 1m4r n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1m4r n GLU 87 N -1.92 0.65 -0.23 4.33 1.02 -0.54 -4.62 120.64 119.33 1m4r n GLU 87 Ca 0.05 -0.01 -0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1m4r n GLU 87 Cb 0.32 -1.41 0.11 0.00 -0.02 0.00 0.00 31.44 30.44 1m4r n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1m4r h ARG 88 N 0.00 0.57 -0.54 3.49 3.08 -1.43 -0.36 114.38 119.20 1m4r h ARG 88 Ca 0.00 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1m4r h ARG 88 Cb 0.47 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1m4r h ARG 88 CO 0.00 0.38 -0.02 0.00 -1.07 0.00 0.00 179.97 179.26 1m4r h TYR 90 N 0.85 1.13 0.08 0.00 3.20 -1.77 0.12 116.97 120.58 1m4r h TYR 90 Ca 0.15 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1m4r h TYR 90 Cb 0.53 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.50 1m4r h TYR 90 CO 0.03 0.98 -0.04 1.25 -1.64 0.00 0.00 178.16 178.74 1m4r h LEU 91 N 0.97 -0.10 -1.50 2.82 5.85 -0.58 -2.53 115.31 120.24 1m4r h LEU 91 Ca 0.18 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1m4r h LEU 91 Cb 0.50 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1m4r h LEU 91 CO 0.02 -0.03 -0.26 0.24 -0.34 0.00 0.00 178.44 178.08 1m4r h MET 92 N -0.16 0.00 -0.46 1.25 2.86 -0.60 -2.41 114.93 115.42 1m4r h MET 92 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1m4r h MET 92 Cb 0.13 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1m4r h MET 92 CO 0.02 0.26 0.25 -0.22 1.06 0.00 0.00 176.91 178.28 1m4r h LYS 93 N 0.00 0.64 -0.44 1.72 3.64 -0.44 0.39 116.57 122.08 1m4r h LYS 93 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1m4r h LYS 93 Cb 0.49 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1m4r h LYS 93 CO 0.03 0.50 0.29 1.96 -2.27 0.00 0.00 179.45 179.97 1m4r h GLN 94 N 0.60 0.57 -0.24 1.90 1.08 -1.03 -0.83 115.11 117.17 1m4r h GLN 94 Ca 0.16 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 1m4r h GLN 94 Cb 0.05 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1m4r h GLN 94 CO -0.03 0.38 0.09 0.28 -0.95 0.00 0.00 178.83 178.60 1m4r h VAL 95 N 0.59 1.18 -0.34 -0.54 2.07 -1.13 -1.80 116.25 116.28 1m4r h VAL 95 Ca 0.16 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.19 1m4r h VAL 95 Cb -0.07 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 1m4r h VAL 95 CO -0.04 0.18 0.05 0.25 0.02 0.00 0.00 177.57 178.03 1m4r h LEU 96 N 0.23 -0.03 -0.54 2.57 5.85 0.06 -0.84 115.31 122.61 1m4r h LEU 96 Ca 0.08 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1m4r h LEU 96 Cb 0.20 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1m4r h LEU 96 CO -0.01 0.02 0.02 0.78 -0.34 0.00 0.00 178.44 178.92 1m4r h ASN 97 N 0.16 0.91 -0.19 1.25 2.35 -1.08 -0.36 115.58 118.61 1m4r h ASN 97 Ca 0.16 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1m4r h ASN 97 Cb 0.20 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1m4r h ASN 97 CO -0.23 0.98 0.12 0.15 -1.65 0.00 0.00 177.43 176.80 1m4r h PHE 98 N 0.81 0.25 -0.59 1.19 3.57 -1.11 -1.18 116.94 119.88 1m4r h PHE 98 Ca 0.15 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1m4r h PHE 98 Cb 0.50 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1m4r h PHE 98 CO 0.04 0.17 0.30 1.15 -2.23 0.00 0.00 178.31 177.74 1m4r h THR 99 N 0.25 1.20 0.32 4.41 2.02 -0.99 0.19 112.91 120.31 1m4r h THR 99 Ca 0.07 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1m4r h THR 99 Cb -0.01 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1m4r h THR 99 CO -0.01 0.23 -0.16 -0.07 0.37 0.00 0.00 175.52 175.88 1m4r h LEU 100 N 0.80 -0.37 -0.24 2.58 3.38 -0.85 0.23 115.31 120.84 1m4r h LEU 100 Ca 0.20 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1m4r h LEU 100 Cb 0.09 0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1m4r h LEU 100 CO -0.03 -0.14 -0.72 -0.33 0.09 0.00 0.00 178.44 177.31 1m4r h GLU 101 N -0.58 0.75 0.00 1.13 5.08 -1.16 0.21 114.58 120.01 1m4r h GLU 101 Ca -0.04 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 1m4r h GLU 101 Cb 0.43 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1m4r h GLU 101 CO 0.07 1.19 -1.00 0.39 -1.00 0.00 0.00 179.01 178.67 1m4r n GLU 102 N -3.94 0.14 0.07 2.33 -0.58 0.67 -4.51 120.64 114.82 1m4r n GLU 102 Ca -0.06 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1m4r n GLU 102 Cb 0.71 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 1m4r n GLU 102 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1m4r n VAL 103 N -1.70 0.87 0.16 2.62 0.31 -0.38 -4.79 118.33 115.41 1m4r n VAL 103 Ca 0.03 0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 64.51 1m4r n VAL 103 Cb 0.38 -1.31 -0.08 0.00 -0.91 0.00 0.00 33.84 31.92 1m4r n VAL 103 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1m4r h LEU 104 N 0.00 -0.34 -0.58 7.52 3.38 -0.54 -2.34 115.31 122.41 1m4r h LEU 104 Ca 0.00 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 57.90 1m4r h LEU 104 Cb 0.05 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 1m4r h LEU 104 CO 0.00 0.00 0.18 -0.26 0.09 0.00 0.00 178.44 178.45 1m4r h PHE 105 N -0.72 0.31 0.00 1.13 0.04 -0.81 0.51 116.94 117.40 1m4r h PHE 105 Ca -0.04 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1m4r h PHE 105 Cb 0.49 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 1m4r h PHE 105 CO 0.02 0.05 -0.08 -1.35 -0.60 0.00 0.00 178.31 176.34 1m4r h PRO 106 N 0.34 0.00 -0.48 1.51 0.11 -1.78 -1.71 132.00 129.99 1m4r h PRO 106 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1m4r h PRO 106 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1m4r h PRO 106 CO -0.33 0.08 0.00 1.04 -0.21 0.00 0.00 178.00 178.58 1m4r n GLN 107 N -3.76 2.92 0.30 1.05 1.13 -0.10 -4.69 117.38 114.22 1m4r n GLN 107 Ca -0.02 -2.36 0.16 0.00 -1.94 0.00 0.00 57.00 52.83 1m4r n GLN 107 Cb 0.19 -1.45 0.79 0.00 0.11 0.00 0.00 30.24 29.87 1m4r n GLN 107 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1m4r h SER 108 N 2.84 0.00 -0.10 1.08 4.64 0.90 0.47 113.55 123.38 1m4r h SER 108 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1m4r h SER 108 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1m4r h SER 108 CO 0.04 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.47 1m4r n ASP 109 N -3.01 3.09 -4.93 4.97 9.92 -1.26 -4.58 116.55 120.75 1m4r n ASP 109 Ca -0.01 -2.00 -0.25 0.00 -0.53 0.00 0.00 54.79 52.01 1m4r n ASP 109 Cb 0.43 -0.05 0.01 0.00 -0.64 0.00 0.00 41.12 40.86 1m4r n ASP 109 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1m4r s ARG 110 N -1.90 2.27 -1.49 -1.24 0.52 0.16 -4.70 118.95 112.57 1m4r s ARG 110 Ca 0.30 -1.93 -0.09 0.00 -0.52 0.00 0.00 55.73 53.49 1m4r s ARG 110 Cb 0.21 -2.21 0.06 0.00 0.52 0.00 0.00 34.95 33.53 1m4r s ARG 110 CO 0.30 -0.65 0.74 1.19 0.02 0.00 0.00 175.30 176.91 1m4r n PHE 111 N -1.84 -1.94 -2.52 -0.53 3.72 -1.26 -4.50 117.46 108.57 1m4r n PHE 111 Ca 0.02 0.83 -0.34 0.00 -0.05 0.00 0.00 57.45 57.90 1m4r n PHE 111 Cb 0.64 -3.79 -0.03 0.00 -0.94 0.00 0.00 39.48 35.35 1m4r n PHE 111 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1m4r s GLN 112 N -6.54 3.81 0.00 -1.08 -0.21 -1.26 -2.02 119.66 112.36 1m4r s GLN 112 Ca 0.38 1.40 0.22 0.00 0.02 0.00 0.00 55.36 57.38 1m4r s GLN 112 Cb -0.20 -2.14 0.51 0.00 1.00 0.00 0.00 33.01 32.19 1m4r s GLN 112 CO 0.86 -0.43 1.44 -0.35 -2.12 0.00 0.00 175.29 174.69 1m4r n PRO 113 N -0.89 2.31 0.27 2.91 -0.04 -1.26 -4.90 135.00 133.40 1m4r n PRO 113 Ca 0.09 -1.99 -0.16 0.00 -0.04 0.00 0.00 63.50 61.40 1m4r n PRO 113 Cb 0.52 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 1m4r n PRO 113 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1m4r h TYR 114 N 3.84 -0.58 -0.77 0.54 0.05 -1.85 -3.19 116.97 115.01 1m4r h TYR 114 Ca 0.00 -0.01 0.17 0.00 0.05 0.00 0.00 58.73 58.93 1m4r h TYR 114 Cb 0.85 0.19 -0.11 0.00 1.01 0.00 0.00 36.73 38.67 1m4r h TYR 114 CO 0.23 -0.35 0.23 1.98 -1.05 0.00 0.00 178.16 179.20 1m4r h MET 115 N -0.64 0.31 -0.00 4.88 4.05 -1.64 -1.51 114.93 120.38 1m4r h MET 115 Ca -0.06 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1m4r h MET 115 Cb 0.49 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1m4r h MET 115 CO 0.10 0.20 0.00 1.96 0.23 0.00 0.00 176.91 179.41 1m4r h GLN 116 N 0.32 0.00 0.01 0.39 7.50 -1.80 -1.85 115.11 119.68 1m4r h GLN 116 Ca 0.44 0.00 -0.39 0.00 0.50 0.00 0.00 58.65 59.20 1m4r h GLN 116 Cb 0.76 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 28.22 1m4r h GLN 116 CO -0.50 0.00 -2.44 0.39 -1.50 0.00 0.00 178.83 174.78 1m4r n GLU 117 N -3.30 0.66 -0.12 1.46 1.02 -0.62 -4.44 120.64 115.30 1m4r n GLU 117 Ca -0.03 0.15 -0.11 0.00 -0.02 0.00 0.00 57.16 57.15 1m4r n GLU 117 Cb 0.08 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 29.94 1m4r n GLU 117 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1m4r h VAL 118 N 0.01 1.27 -0.22 2.62 2.07 -1.23 -3.21 116.25 117.57 1m4r h VAL 118 Ca -0.57 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 65.89 1m4r h VAL 118 Cb 1.92 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.93 1m4r h VAL 118 CO -0.07 0.36 0.05 0.58 0.02 0.00 0.00 177.57 178.51 1m4r h VAL 119 N 0.45 0.92 -0.78 2.57 2.07 -1.58 -0.25 116.25 119.64 1m4r h VAL 119 Ca 0.09 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1m4r h VAL 119 Cb 0.54 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1m4r h VAL 119 CO 0.03 0.03 0.45 -0.65 0.02 0.00 0.00 177.57 177.44 1m4r h PRO 120 N 0.15 0.77 0.02 1.57 0.11 -1.78 0.18 132.00 133.02 1m4r h PRO 120 Ca 0.10 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1m4r h PRO 120 Cb 0.08 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1m4r h PRO 120 CO -0.12 0.51 -0.01 0.35 -0.21 0.00 0.00 178.00 178.52 1m4r h PHE 121 N 0.79 -0.03 -0.31 0.65 3.57 -1.44 -1.12 116.94 119.05 1m4r h PHE 121 Ca 0.36 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.82 1m4r h PHE 121 Cb 0.28 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1m4r h PHE 121 CO -0.06 0.04 0.01 -0.07 -2.23 0.00 0.00 178.31 176.00 1m4r h LEU 122 N -0.08 0.43 -0.42 0.59 3.38 -0.50 -2.48 115.31 116.23 1m4r h LEU 122 Ca -0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1m4r h LEU 122 Cb 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1m4r h LEU 122 CO 0.00 0.49 0.15 0.00 0.09 0.00 0.00 178.44 179.17 1m4r h ALA 123 N 1.57 0.55 -0.62 1.53 0.00 -0.25 -1.64 119.26 120.40 1m4r h ALA 123 Ca 0.10 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1m4r h ALA 123 Cb 0.28 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1m4r h ALA 123 CO 0.01 0.18 0.34 0.00 0.00 0.00 0.00 179.25 179.79 1m4r h ARG 124 N 0.54 0.63 -0.85 0.00 3.08 -0.83 -0.01 114.38 116.95 1m4r h ARG 124 Ca 0.14 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1m4r h ARG 124 Cb 0.23 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1m4r h ARG 124 CO -0.01 0.42 0.41 -0.07 -1.07 0.00 0.00 179.97 179.65 1m4r h LEU 125 N 0.65 1.11 -0.69 3.04 3.38 -1.17 0.65 115.31 122.29 1m4r h LEU 125 Ca 0.27 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1m4r h LEU 125 Cb 0.14 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1m4r h LEU 125 CO -0.16 0.93 0.38 -1.28 0.09 0.00 0.00 178.44 178.40 1m4r h SER 126 N 1.21 0.86 -0.72 -0.43 0.87 -0.64 -1.23 113.55 113.47 1m4r h SER 126 Ca 0.29 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1m4r h SER 126 Cb 0.12 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 1m4r h SER 126 CO -0.04 0.71 0.48 -1.13 -0.53 0.00 0.00 176.83 176.32 1m4r h ASN 127 N 0.95 0.82 -0.62 6.23 -1.24 -0.25 -2.18 115.58 119.30 1m4r h ASN 127 Ca 0.24 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.20 1m4r h ASN 127 Cb 0.04 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 38.85 1m4r h ASN 127 CO -0.04 0.60 0.29 0.03 -1.29 0.00 0.00 177.43 177.01 1m4r h ARG 128 N 0.97 0.93 -0.02 6.67 2.47 -0.23 -2.31 114.38 122.86 1m4r h ARG 128 Ca 0.26 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1m4r h ARG 128 Cb -0.11 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.04 1m4r h ARG 128 CO -0.06 0.74 0.00 1.28 0.56 0.00 0.00 179.97 182.49 1m4r n LEU 129 N -4.33 0.17 -3.80 3.04 4.77 -0.53 -4.94 117.00 111.38 1m4r n LEU 129 Ca 0.06 -0.07 -0.54 0.00 -0.03 0.00 0.00 56.01 55.43 1m4r n LEU 129 Cb 0.15 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1m4r n LEU 129 CO 0.39 0.04 0.89 -1.20 -1.33 0.00 0.00 177.39 176.17 1m4r n SER 130 N -0.66 0.90 0.00 -1.43 7.64 -0.87 -1.63 113.62 117.56 1m4r n SER 130 Ca 0.13 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1m4r n SER 130 Cb 0.09 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1m4r n SER 130 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1m4r n THR 131 N 3.07 0.00 -1.69 0.44 -2.24 -1.26 -4.91 114.28 107.68 1m4r n THR 131 Ca 0.24 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.59 1m4r n THR 131 Cb -0.04 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 67.94 1m4r n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m4r n HIS 133 N 1.23 -0.37 -4.03 0.00 1.44 -1.26 -4.76 115.22 107.47 1m4r n HIS 133 Ca 0.08 -0.51 -0.27 0.00 -2.01 0.00 0.00 57.72 55.02 1m4r n HIS 133 Cb 0.34 0.08 -0.03 0.00 0.12 0.00 0.00 29.99 30.51 1m4r n HIS 133 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1m4r s ILE 134 N -2.37 1.70 0.00 0.61 -4.36 -1.26 -4.08 121.20 111.43 1m4r s ILE 134 Ca 0.07 -1.58 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 1m4r s ILE 134 Cb 0.00 -2.28 0.00 0.00 1.25 0.00 0.00 42.46 41.43 1m4r s ILE 134 CO 0.05 0.00 0.02 -0.62 0.24 0.00 0.00 174.94 174.63 1m4r n GLU 135 N -1.62 0.00 -4.09 0.37 4.71 -1.26 -4.93 120.64 113.81 1m4r n GLU 135 Ca -0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 56.96 1m4r n GLU 135 Cb 0.65 -0.52 -0.14 0.00 -1.01 0.00 0.00 31.44 30.41 1m4r n GLU 135 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1m4r s GLY 136 N 0.00 0.20 -0.24 0.62 0.00 -1.26 -5.02 107.32 101.63 1m4r s GLY 136 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 44.72 44.51 1m4r s GLY 136 CO 0.00 -0.13 0.08 1.34 0.00 0.00 0.00 173.10 174.38 1m4r n ASP 137 N 3.00 -5.08 -1.86 1.64 -0.08 -1.26 -4.95 116.55 107.96 1m4r n ASP 137 Ca -0.13 1.26 0.05 0.00 -1.51 0.00 0.00 54.79 54.46 1m4r n ASP 137 Cb 0.58 -4.87 0.38 0.00 2.34 0.00 0.00 41.12 39.56 1m4r n ASP 137 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1m4r n ASP 138 N 0.93 5.51 -0.17 1.67 5.75 -1.26 -4.65 116.55 124.33 1m4r n ASP 138 Ca -0.13 -2.99 -0.01 0.00 -0.01 0.00 0.00 54.79 51.65 1m4r n ASP 138 Cb 0.20 -0.69 0.08 0.00 -1.03 0.00 0.00 41.12 39.68 1m4r n ASP 138 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1m4r h LEU 139 N 3.67 -0.02 -1.42 -2.12 5.85 -1.99 0.05 115.31 119.32 1m4r h LEU 139 Ca 0.04 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1m4r h LEU 139 Cb 2.02 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 43.18 1m4r h LEU 139 CO 0.52 0.01 0.07 1.12 -0.34 0.00 0.00 178.44 179.82 1m4r h HIS 140 N 0.23 0.46 -0.03 1.25 2.07 -1.96 -0.75 115.15 116.41 1m4r h HIS 140 Ca 0.28 -0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.76 1m4r h HIS 140 Cb 0.39 -0.14 -0.00 0.00 2.57 0.00 0.00 27.41 30.23 1m4r h HIS 140 CO -0.25 0.41 -0.03 0.82 -3.07 0.00 0.00 177.93 175.81 1m4r h ILE 141 N 0.45 1.40 -0.79 6.12 2.04 -1.52 -2.44 117.51 122.76 1m4r h ILE 141 Ca 0.11 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.74 1m4r h ILE 141 Cb 0.19 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 1m4r h ILE 141 CO -0.00 0.33 0.52 1.56 0.00 0.00 0.00 178.15 180.56 1m4r h GLN 142 N -0.41 1.05 -0.63 2.37 1.08 -0.77 -1.29 115.11 116.51 1m4r h GLN 142 Ca 0.00 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.07 1m4r h GLN 142 Cb 0.55 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 1m4r h GLN 142 CO 0.01 0.70 0.14 -0.09 -0.95 0.00 0.00 178.83 178.64 1m4r h ARG 143 N 1.08 1.02 -0.58 1.46 2.43 -1.13 0.15 114.38 118.81 1m4r h ARG 143 Ca 0.29 -0.25 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 1m4r h ARG 143 Cb -0.11 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 1m4r h ARG 143 CO -0.06 0.93 -0.03 -0.91 -1.51 0.00 0.00 179.97 178.39 1m4r h ASN 144 N 0.93 1.03 -0.25 -3.80 4.21 -0.91 -2.69 115.58 114.10 1m4r h ASN 144 Ca 0.20 -0.32 -0.13 0.00 1.21 0.00 0.00 56.30 57.26 1m4r h ASN 144 Cb 0.38 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 1m4r h ASN 144 CO 0.01 1.10 -0.29 0.58 -1.29 0.00 0.00 177.43 177.53 1m4r h VAL 145 N 0.93 1.28 -1.01 2.81 2.07 -1.00 -2.88 116.25 118.45 1m4r h VAL 145 Ca 0.16 -1.43 0.08 0.00 0.82 0.00 0.00 66.70 66.33 1m4r h VAL 145 Cb 0.59 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 1m4r h VAL 145 CO 0.04 0.47 0.65 -0.61 0.02 0.00 0.00 177.57 178.14 1m4r h GLN 146 N 0.65 1.10 -0.34 1.57 5.75 -0.47 0.13 115.11 123.50 1m4r h GLN 146 Ca 0.08 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1m4r h GLN 146 Cb 0.82 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 1m4r h GLN 146 CO 0.07 0.73 0.22 0.87 -2.65 0.00 0.00 178.83 178.07 1m4r h LYS 147 N 1.14 0.44 -0.41 1.69 1.57 -1.26 0.21 116.57 119.95 1m4r h LYS 147 Ca 0.45 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.18 1m4r h LYS 147 Cb 0.25 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1m4r h LYS 147 CO -0.20 0.29 0.18 1.25 -0.57 0.00 0.00 179.45 180.40 1m4r h LEU 148 N 0.46 0.55 -0.48 2.94 6.46 -1.31 -2.43 115.31 121.50 1m4r h LEU 148 Ca 0.13 -0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1m4r h LEU 148 Cb -0.05 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.71 1m4r h LEU 148 CO -0.03 0.55 0.30 0.11 -0.62 0.00 0.00 178.44 178.75 1m4r h LYS 149 N 0.51 0.59 -0.80 1.25 1.57 -0.57 -2.30 116.57 116.83 1m4r h LYS 149 Ca 0.14 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1m4r h LYS 149 Cb 0.16 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1m4r h LYS 149 CO -0.01 0.39 0.47 -0.44 -0.57 0.00 0.00 179.45 179.29 1m4r h ASP 150 N 0.61 0.97 -0.52 0.86 3.32 -0.44 -0.71 116.42 120.51 1m4r h ASP 150 Ca 0.18 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1m4r h ASP 150 Cb -0.03 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1m4r h ASP 150 CO -0.06 0.76 0.29 0.74 -1.72 0.00 0.00 179.24 179.25 1m4r h THR 151 N 1.09 1.18 -0.29 0.35 2.02 -1.19 0.98 112.91 117.06 1m4r h THR 151 Ca 0.28 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 1m4r h THR 151 Cb -0.02 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1m4r h THR 151 CO -0.05 0.19 0.03 0.58 0.37 0.00 0.00 175.52 176.64 1m4r h VAL 152 N 0.70 1.24 -0.48 3.16 2.07 -1.10 -2.99 116.25 118.85 1m4r h VAL 152 Ca 0.18 -0.84 -0.11 0.00 0.82 0.00 0.00 66.70 66.76 1m4r h VAL 152 Cb 0.04 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1m4r h VAL 152 CO -0.03 0.27 -0.12 0.11 0.02 0.00 0.00 177.57 177.82 1m4r h LYS 153 N 0.29 0.93 -0.19 1.57 1.79 -0.92 -2.93 116.57 117.11 1m4r h LYS 153 Ca 0.09 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 58.18 1m4r h LYS 153 Cb 0.37 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1m4r h LYS 153 CO 0.01 1.02 0.06 -0.22 -1.08 0.00 0.00 179.45 179.24 1m4r h LYS 154 N 0.78 0.26 -0.00 3.15 3.64 -0.83 -2.14 116.57 121.43 1m4r h LYS 154 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1m4r h LYS 154 Cb 0.68 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1m4r h LYS 154 CO 0.05 0.24 -0.10 1.28 -2.27 0.00 0.00 179.45 178.64 1m4r n LEU 155 N -4.44 0.41 0.00 5.20 4.77 -1.12 -5.01 117.00 116.81 1m4r n LEU 155 Ca -0.00 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1m4r n LEU 155 Cb 0.13 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1m4r n LEU 155 CO 0.36 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1m4r n GLY 156 N 1.29 3.26 0.37 -0.72 0.00 -0.81 -2.37 105.19 106.20 1m4r n GLY 156 Ca 0.14 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1m4r n GLY 156 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1m4r h GLU 157 N 0.00 0.97 -0.10 1.61 4.81 -1.91 0.84 114.58 120.80 1m4r h GLU 157 Ca 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1m4r h GLU 157 Cb 0.00 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1m4r h GLU 157 CO 0.00 0.64 -0.07 0.77 -0.73 0.00 0.00 179.01 179.62 1m4r h SER 158 N 1.00 0.13 -0.66 1.04 0.02 -1.83 -1.37 113.55 111.89 1m4r h SER 158 Ca 0.40 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.25 1m4r h SER 158 Cb 0.26 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1m4r h SER 158 CO -0.16 0.22 0.08 1.23 -1.14 0.00 0.00 176.83 177.07 1m4r h GLY 159 N 0.48 1.19 0.94 -3.77 0.00 -0.70 -0.21 103.07 101.00 1m4r h GLY 159 Ca 0.03 -0.81 -0.06 0.00 0.00 0.00 0.00 47.33 46.49 1m4r h GLY 159 CO 0.01 0.75 0.03 0.83 0.00 0.00 0.00 176.54 178.16 1m4r h GLU 160 N 1.02 0.69 -0.59 4.80 5.08 -0.95 -1.53 114.58 123.10 1m4r h GLU 160 Ca 0.20 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1m4r h GLU 160 Cb 0.47 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1m4r h GLU 160 CO 0.02 0.76 0.32 0.82 -1.00 0.00 0.00 179.01 179.93 1m4r h ILE 161 N 0.52 1.19 -0.94 3.13 2.04 -1.05 -1.58 117.51 120.82 1m4r h ILE 161 Ca 0.12 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1m4r h ILE 161 Cb 0.43 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1m4r h ILE 161 CO 0.01 0.21 0.57 0.50 0.00 0.00 0.00 178.15 179.44 1m4r h LYS 162 N 0.79 1.27 -0.69 2.37 3.64 -0.87 -0.67 116.57 122.42 1m4r h LYS 162 Ca 0.21 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1m4r h LYS 162 Cb 0.05 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 1m4r h LYS 162 CO -0.03 0.89 0.15 0.00 -2.27 0.00 0.00 179.45 178.19 1m4r h ALA 163 N 1.33 0.96 -0.09 5.00 0.00 -0.72 -2.35 119.26 123.39 1m4r h ALA 163 Ca 0.34 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1m4r h ALA 163 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1m4r h ALA 163 CO -0.06 0.66 -0.45 0.82 0.00 0.00 0.00 179.25 180.22 1m4r h ILE 164 N 1.05 1.33 0.00 0.00 2.04 -0.80 -2.43 117.51 118.71 1m4r h ILE 164 Ca 0.22 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1m4r h ILE 164 Cb 0.39 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1m4r h ILE 164 CO 0.00 0.48 0.00 1.23 0.00 0.00 0.00 178.15 179.87 1m4r h GLY 165 N 1.29 0.00 -1.66 5.37 0.00 -0.61 -2.22 103.07 105.24 1m4r h GLY 165 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1m4r h GLY 165 CO 0.07 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.79 1m4r n GLU 166 N -2.58 2.98 0.30 4.80 -0.58 -0.93 -4.58 120.64 120.04 1m4r n GLU 166 Ca 0.01 -2.37 0.16 0.00 -0.42 0.00 0.00 57.16 54.54 1m4r n GLU 166 Cb 0.22 -1.49 0.94 0.00 -0.57 0.00 0.00 31.44 30.53 1m4r n GLU 166 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1m4r h LEU 167 N 2.38 0.00 -0.40 -4.62 3.38 -1.20 -1.23 115.31 113.62 1m4r h LEU 167 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1m4r h LEU 167 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1m4r h LEU 167 CO 0.08 0.01 -0.10 -2.24 0.09 0.00 0.00 178.44 176.28 1m4r h ASP 168 N 0.00 0.79 0.17 -0.43 2.03 -1.81 -0.59 116.42 116.58 1m4r h ASP 168 Ca -0.00 -0.36 -0.11 0.00 -0.73 0.00 0.00 57.03 55.83 1m4r h ASP 168 Cb 0.04 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.31 1m4r h ASP 168 CO 0.00 0.97 -0.38 -0.07 -1.03 0.00 0.00 179.24 178.74 1m4r h LEU 169 N 0.60 0.30 -0.27 0.15 3.38 -1.60 -1.58 115.31 116.29 1m4r h LEU 169 Ca 0.10 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1m4r h LEU 169 Cb 0.63 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1m4r h LEU 169 CO 0.04 0.66 -0.01 0.25 0.09 0.00 0.00 178.44 179.48 1m4r h LEU 170 N 0.25 0.48 -0.12 1.67 5.85 -1.09 -0.05 115.31 122.30 1m4r h LEU 170 Ca 0.03 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 1m4r h LEU 170 Cb 0.79 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1m4r h LEU 170 CO 0.06 0.68 0.06 0.15 -0.34 0.00 0.00 178.44 179.06 1m4r h PHE 171 N 0.27 0.17 -0.55 1.25 3.04 -0.92 -0.56 116.94 119.63 1m4r h PHE 171 Ca 0.08 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.91 1m4r h PHE 171 Cb 0.44 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 1m4r h PHE 171 CO 0.04 0.19 -0.09 0.52 -2.02 0.00 0.00 178.31 176.95 1m4r h MET 172 N 0.09 1.03 -0.63 1.11 2.86 -1.27 -2.14 114.93 115.98 1m4r h MET 172 Ca 0.04 -0.37 -0.09 0.00 -2.06 0.00 0.00 59.70 57.22 1m4r h MET 172 Cb 0.08 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1m4r h MET 172 CO -0.01 1.06 0.04 0.77 1.06 0.00 0.00 176.91 179.83 1m4r h SER 173 N 0.92 1.05 -0.41 1.22 0.02 -0.89 -2.07 113.55 113.39 1m4r h SER 173 Ca 0.15 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1m4r h SER 173 Cb 0.65 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1m4r h SER 173 CO 0.04 1.07 0.16 -0.07 -1.14 0.00 0.00 176.83 176.90 1m4r h LEU 174 N 0.99 0.57 0.29 5.07 3.38 -0.99 -1.07 115.31 123.56 1m4r h LEU 174 Ca 0.18 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1m4r h LEU 174 Cb 0.52 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1m4r h LEU 174 CO 0.02 0.59 -0.22 -0.09 0.09 0.00 0.00 178.44 178.84 1m4r h ARG 175 N 0.53 -0.49 0.00 1.13 2.43 -1.21 -0.19 114.38 116.57 1m4r h ARG 175 Ca 0.14 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1m4r h ARG 175 Cb 0.19 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1m4r h ARG 175 CO -0.01 -0.32 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.10 1m4r h ASN 176 N -0.51 0.00 0.77 -3.80 4.21 -1.32 -1.60 115.58 113.34 1m4r h ASN 176 Ca -0.02 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.37 1m4r h ASN 176 Cb 0.44 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 1m4r h ASN 176 CO -0.00 0.11 -1.31 0.00 -1.29 0.00 0.00 177.43 174.94 1m4r n ALA 177 N -2.23 2.11 -0.02 -0.83 0.00 -0.41 -4.57 120.51 114.56 1m4r n ALA 177 Ca -0.01 -0.46 0.02 0.00 0.00 0.00 0.00 53.44 52.99 1m4r n ALA 177 Cb 0.27 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 1m4r n ALA 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50