#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4r s THR 21 N 0.00 1.65 0.05 0.58 -4.23 -1.26 -2.74 115.64 109.69 1h4r s THR 21 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1h4r s THR 21 Cb 0.00 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 1h4r s THR 21 CO 0.00 0.00 -0.12 0.72 -0.54 0.00 0.00 174.62 174.68 1h4r s PHE 22 N -2.93 1.06 0.15 3.99 -0.71 0.47 -4.83 117.98 115.18 1h4r s PHE 22 Ca 0.34 -0.41 -0.30 0.00 -1.04 0.00 0.00 56.93 55.51 1h4r s PHE 22 Cb 0.09 -0.61 -0.07 0.00 -1.21 0.00 0.00 43.02 41.22 1h4r s PHE 22 CO 0.16 0.02 1.11 0.99 -1.34 0.00 0.00 175.22 176.16 1h4r s THR 23 N -1.10 3.96 -0.02 -4.49 2.01 -1.26 -0.04 115.64 114.69 1h4r s THR 23 Ca -0.02 1.62 0.07 0.00 0.31 0.00 0.00 61.69 63.67 1h4r s THR 23 Cb -0.09 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 1h4r s THR 23 CO 0.01 0.25 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.26 1h4r s VAL 24 N 0.05 1.87 -0.15 3.82 1.01 -0.40 -1.51 120.40 125.09 1h4r s VAL 24 Ca 0.51 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1h4r s VAL 24 Cb -0.29 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1h4r s VAL 24 CO 0.33 0.53 -0.06 -0.60 0.00 0.00 0.00 175.10 175.30 1h4r s ARG 25 N -0.48 3.59 -0.16 2.72 3.52 0.35 -1.74 118.95 126.76 1h4r s ARG 25 Ca 0.07 -0.57 -0.01 0.00 -0.13 0.00 0.00 55.73 55.10 1h4r s ARG 25 Cb -0.10 -2.84 -0.01 0.00 -1.56 0.00 0.00 34.95 30.45 1h4r s ARG 25 CO -0.00 0.23 -0.13 0.42 -0.81 0.00 0.00 175.30 175.01 1h4r s ILE 26 N 0.37 2.93 -0.30 4.11 -1.09 0.17 -1.17 121.20 126.22 1h4r s ILE 26 Ca -0.06 -0.68 -0.06 0.00 -2.23 0.00 0.00 60.65 57.61 1h4r s ILE 26 Cb -0.15 -2.25 0.02 0.00 -1.58 0.00 0.00 42.46 38.50 1h4r s ILE 26 CO 0.04 0.50 0.07 -0.69 -1.23 0.00 0.00 174.94 173.63 1h4r s VAL 27 N 0.74 3.80 0.57 2.92 1.01 -0.38 -0.77 120.40 128.30 1h4r s VAL 27 Ca -0.06 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.17 1h4r s VAL 27 Cb -0.15 -3.00 0.08 0.00 0.00 0.00 0.00 36.38 33.30 1h4r s VAL 27 CO 0.01 0.03 0.79 0.42 0.00 0.00 0.00 175.10 176.36 1h4r s THR 28 N 1.46 2.27 0.01 3.92 -4.23 0.17 -0.42 115.64 118.81 1h4r s THR 28 Ca 0.01 -0.94 0.32 0.00 -1.18 0.00 0.00 61.69 59.90 1h4r s THR 28 Cb -0.18 -2.34 0.35 0.00 1.34 0.00 0.00 72.50 71.68 1h4r s THR 28 CO 0.02 0.00 1.95 0.24 -0.54 0.00 0.00 174.62 176.28 1h4r h MET 29 N 0.15 0.00 0.06 3.99 2.86 -1.92 -3.27 114.93 116.80 1h4r h MET 29 Ca -0.32 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.03 1h4r h MET 29 Cb 1.28 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.92 1h4r h MET 29 CO 0.41 0.00 -1.57 -0.44 1.06 0.00 0.00 176.91 176.37 1h4r h ASP 30 N 0.00 0.21 -2.19 1.22 3.32 -1.96 -3.49 116.42 113.53 1h4r h ASP 30 Ca 0.00 -0.72 0.09 0.00 0.02 0.00 0.00 57.03 56.42 1h4r h ASP 30 Cb 0.38 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1h4r h ASP 30 CO 0.00 1.66 0.40 0.00 -1.72 0.00 0.00 179.24 179.58 1h4r n ALA 31 N -3.20 -1.91 -2.43 3.45 0.00 -1.23 -5.17 120.51 110.02 1h4r n ALA 31 Ca -0.31 -0.83 -0.28 0.00 0.00 0.00 0.00 53.44 52.02 1h4r n ALA 31 Cb 0.85 0.52 -0.13 0.00 0.00 0.00 0.00 19.45 20.69 1h4r n ALA 31 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1h4r s GLU 32 N -2.05 1.35 0.12 0.00 2.02 -1.26 -0.66 118.70 118.23 1h4r s GLU 32 Ca 0.16 -1.28 -0.12 0.00 0.02 0.00 0.00 54.97 53.75 1h4r s GLU 32 Cb -0.03 -1.77 0.01 0.00 0.10 0.00 0.00 34.13 32.44 1h4r s GLU 32 CO 0.05 0.42 0.29 0.00 0.02 0.00 0.00 175.26 176.05 1h4r s MET 33 N -1.96 1.00 0.07 1.61 0.23 0.05 -4.98 119.30 115.31 1h4r s MET 33 Ca 0.12 -0.91 0.08 0.00 -1.03 0.00 0.00 55.69 53.95 1h4r s MET 33 Cb -0.10 0.40 -0.03 0.00 -1.53 0.00 0.00 34.83 33.57 1h4r s MET 33 CO 0.05 -0.36 -0.22 -1.21 -2.03 0.00 0.00 175.02 171.25 1h4r s GLU 34 N -3.86 1.38 0.08 3.16 2.02 -1.26 0.45 118.70 120.67 1h4r s GLU 34 Ca 0.07 -1.07 0.02 0.00 0.02 0.00 0.00 54.97 54.01 1h4r s GLU 34 Cb 0.03 -1.59 -0.03 0.00 0.10 0.00 0.00 34.13 32.64 1h4r s GLU 34 CO -0.09 0.39 -0.08 -0.06 0.02 0.00 0.00 175.26 175.45 1h4r s PHE 35 N -0.92 0.84 -0.46 1.61 0.08 -0.71 -4.99 117.98 113.43 1h4r s PHE 35 Ca 0.09 -0.72 -0.22 0.00 0.12 0.00 0.00 56.93 56.19 1h4r s PHE 35 Cb -0.09 -0.49 0.03 0.00 -0.57 0.00 0.00 43.02 41.90 1h4r s PHE 35 CO 0.03 -0.10 0.76 -0.80 -0.10 0.00 0.00 175.22 175.00 1h4r s ASN 36 N -2.42 6.37 -0.16 1.36 0.01 -1.26 -1.28 114.94 117.57 1h4r s ASN 36 Ca 0.03 -0.24 -0.21 0.00 -0.71 0.00 0.00 52.86 51.73 1h4r s ASN 36 Cb -0.02 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.25 1h4r s ASN 36 CO -0.02 -0.91 0.63 0.00 -1.51 0.00 0.00 177.10 175.28 1h4r s GLU 38 N 1.50 4.19 0.53 0.00 2.02 -1.26 -0.40 118.70 125.28 1h4r s GLU 38 Ca 0.30 2.35 0.45 0.00 0.02 0.00 0.00 54.97 58.10 1h4r s GLU 38 Cb -0.16 -3.60 1.67 0.00 0.10 0.00 0.00 34.13 32.14 1h4r s GLU 38 CO 0.12 -0.74 1.58 0.52 0.02 0.00 0.00 175.26 176.75 1h4r h MET 39 N 8.36 0.00 -0.26 1.61 2.86 -1.83 0.41 114.93 126.07 1h4r h MET 39 Ca -0.43 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1h4r h MET 39 Cb 1.20 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1h4r h MET 39 CO 0.93 0.00 0.00 1.63 1.06 0.00 0.00 176.91 180.53 1h4r n LYS 40 N -4.17 2.06 -1.32 1.72 5.02 -1.26 -4.65 118.16 115.55 1h4r n LYS 40 Ca 0.43 -1.92 -0.35 0.00 -2.02 0.00 0.00 58.31 54.46 1h4r n LYS 40 Cb 1.89 -1.37 0.10 0.00 -0.02 0.00 0.00 35.03 35.63 1h4r n LYS 40 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1h4r n TRP 41 N 1.02 1.30 -2.73 2.13 8.01 0.14 -4.81 117.44 122.51 1h4r n TRP 41 Ca 0.14 0.41 -0.20 0.00 -1.31 0.00 0.00 57.50 56.53 1h4r n TRP 41 Cb 0.47 -2.14 0.04 0.00 -2.01 0.00 0.00 31.31 27.67 1h4r n TRP 41 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1h4r s LYS 42 N -3.75 2.47 0.28 -0.99 1.02 -1.26 -1.65 119.74 115.86 1h4r s LYS 42 Ca 0.76 -0.97 0.02 0.00 0.02 0.00 0.00 55.97 55.80 1h4r s LYS 42 Cb -0.33 -2.53 0.61 0.00 -0.52 0.00 0.00 37.83 35.06 1h4r s LYS 42 CO 0.48 -0.73 1.79 0.78 -0.92 0.00 0.00 175.35 176.75 1h4r h GLY 43 N 0.11 1.61 0.84 -3.33 0.00 -1.09 -2.20 103.07 99.02 1h4r h GLY 43 Ca -0.40 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 46.61 1h4r h GLY 43 CO 0.49 0.02 0.38 1.70 0.00 0.00 0.00 176.54 179.13 1h4r h LYS 44 N 0.80 0.72 0.13 4.80 3.64 -1.47 0.21 116.57 125.40 1h4r h LYS 44 Ca 0.51 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 1h4r h LYS 44 Cb 0.68 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1h4r h LYS 44 CO -0.33 0.48 -0.06 -0.44 -2.27 0.00 0.00 179.45 176.82 1h4r h ASP 45 N 0.74 -0.15 -0.37 4.20 3.32 -1.68 0.64 116.42 123.13 1h4r h ASP 45 Ca 0.26 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1h4r h ASP 45 Cb 0.05 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1h4r h ASP 45 CO -0.11 -0.07 0.08 0.25 -1.72 0.00 0.00 179.24 177.66 1h4r h LEU 46 N -0.20 0.56 -0.48 1.55 5.85 -1.30 -1.70 115.31 119.59 1h4r h LEU 46 Ca -0.02 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1h4r h LEU 46 Cb 0.16 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1h4r h LEU 46 CO 0.03 0.66 0.32 0.15 -0.34 0.00 0.00 178.44 179.25 1h4r h PHE 47 N 0.44 0.61 -0.75 1.25 3.57 -0.50 -1.60 116.94 119.95 1h4r h PHE 47 Ca 0.11 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1h4r h PHE 47 Cb 0.32 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1h4r h PHE 47 CO 0.02 0.39 0.31 -0.44 -2.23 0.00 0.00 178.31 176.35 1h4r h ASP 48 N 0.65 1.02 -0.16 0.41 3.32 -0.69 -1.22 116.42 119.75 1h4r h ASP 48 Ca 0.18 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1h4r h ASP 48 Cb -0.07 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1h4r h ASP 48 CO -0.04 0.90 0.08 0.25 -1.72 0.00 0.00 179.24 178.71 1h4r h LEU 49 N 1.09 0.20 -0.26 1.55 5.85 -0.99 -0.69 115.31 122.07 1h4r h LEU 49 Ca 0.25 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1h4r h LEU 49 Cb 0.19 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1h4r h LEU 49 CO -0.02 0.25 0.08 0.58 -0.34 0.00 0.00 178.44 178.99 1h4r h VAL 50 N 0.14 0.92 -0.46 1.05 2.07 -1.02 -1.37 116.25 117.57 1h4r h VAL 50 Ca 0.05 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1h4r h VAL 50 Cb 0.10 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1h4r h VAL 50 CO -0.01 0.03 0.25 0.00 0.02 0.00 0.00 177.57 177.87 1h4r h ARG 52 N 0.61 0.74 -0.81 0.00 3.08 -0.98 -0.06 114.38 116.96 1h4r h ARG 52 Ca 0.16 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1h4r h ARG 52 Cb 0.05 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1h4r h ARG 52 CO -0.03 0.49 0.38 1.15 -1.07 0.00 0.00 179.97 180.89 1h4r h THR 53 N 0.76 1.25 0.00 2.04 2.02 -0.79 -1.54 112.91 116.64 1h4r h THR 53 Ca 0.30 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1h4r h THR 53 Cb 0.13 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1h4r h THR 53 CO -0.15 0.31 0.00 0.18 0.37 0.00 0.00 175.52 176.22 1h4r n LEU 54 N -4.31 0.34 -0.81 2.58 4.77 -0.68 -4.91 117.00 113.99 1h4r n LEU 54 Ca 0.08 0.54 -0.08 0.00 -0.03 0.00 0.00 56.01 56.52 1h4r n LEU 54 Cb 0.15 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1h4r n LEU 54 CO 0.40 -0.12 -0.09 0.61 -1.33 0.00 0.00 177.39 176.85 1h4r n GLY 55 N 1.20 0.25 3.57 -0.72 0.00 -0.43 -4.96 105.19 104.11 1h4r n GLY 55 Ca 0.06 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 1h4r n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1h4r s LEU 56 N -2.10 3.91 -0.00 0.99 0.20 -0.17 -4.95 118.68 116.57 1h4r s LEU 56 Ca 0.00 -0.03 0.10 0.00 0.69 0.00 0.00 54.13 54.89 1h4r s LEU 56 Cb 0.00 -2.07 -0.13 0.00 -0.43 0.00 0.00 46.19 43.56 1h4r s LEU 56 CO 0.00 -0.02 0.39 0.54 -0.29 0.00 0.00 176.35 176.96 1h4r n ARG 57 N 4.86 2.68 -1.89 1.98 1.74 -1.26 -4.46 116.66 120.31 1h4r n ARG 57 Ca -0.15 -0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.50 1h4r n ARG 57 Cb 0.52 -1.06 -0.01 0.00 -1.02 0.00 0.00 32.46 30.89 1h4r n ARG 57 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1h4r n GLU 58 N -1.42 3.89 0.17 5.56 1.02 -1.26 -4.73 120.64 123.88 1h4r n GLU 58 Ca 0.01 -3.07 0.13 0.00 -0.02 0.00 0.00 57.16 54.21 1h4r n GLU 58 Cb 0.19 -2.84 0.38 0.00 -0.02 0.00 0.00 31.44 29.16 1h4r n GLU 58 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1h4r h THR 59 N 3.19 0.00 0.00 2.62 1.35 -1.98 -3.29 112.91 114.80 1h4r h THR 59 Ca 0.64 -0.61 -0.01 0.00 -0.55 0.00 0.00 66.41 65.89 1h4r h THR 59 Cb 0.43 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1h4r h THR 59 CO 1.65 0.00 -0.04 4.11 -0.25 0.00 0.00 175.52 180.99 1h4r h TRP 60 N 0.00 0.00 0.00 4.73 0.09 -2.00 -1.73 115.95 117.04 1h4r h TRP 60 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1h4r h TRP 60 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.97 1h4r h TRP 60 CO 0.00 0.04 -0.26 0.74 0.09 0.00 0.00 178.44 179.05 1h4r h PHE 61 N 0.00 0.00 -1.99 0.12 0.04 -1.86 -3.45 116.94 109.80 1h4r h PHE 61 Ca -0.00 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.26 1h4r h PHE 61 Cb 0.25 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.34 1h4r h PHE 61 CO 0.00 0.00 -0.51 -0.06 -0.60 0.00 0.00 178.31 177.14 1h4r s PHE 62 N -3.16 2.91 0.34 -0.55 0.08 -0.65 0.50 117.98 117.44 1h4r s PHE 62 Ca 0.08 -0.25 -0.16 0.00 0.12 0.00 0.00 56.93 56.72 1h4r s PHE 62 Cb 0.11 -1.59 0.03 0.00 -0.57 0.00 0.00 43.02 41.00 1h4r s PHE 62 CO 0.66 0.36 0.71 0.20 -0.10 0.00 0.00 175.22 177.04 1h4r s GLY 63 N -3.89 0.37 -0.27 4.36 0.00 -0.41 -4.73 107.32 102.74 1h4r s GLY 63 Ca 0.37 -0.71 -0.04 0.00 0.00 0.00 0.00 44.72 44.34 1h4r s GLY 63 CO 0.25 -0.35 -0.00 1.08 0.00 0.00 0.00 173.10 174.08 1h4r s LEU 64 N -3.04 3.47 -0.04 0.66 1.43 -1.26 -2.11 118.68 117.79 1h4r s LEU 64 Ca 0.16 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1h4r s LEU 64 Cb -0.04 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1h4r s LEU 64 CO 0.11 -0.15 0.14 -1.58 0.23 0.00 0.00 176.35 175.09 1h4r s GLN 65 N 1.40 3.33 0.33 1.70 0.74 0.12 -1.31 119.66 125.97 1h4r s GLN 65 Ca 0.01 -0.31 0.06 0.00 0.05 0.00 0.00 55.36 55.16 1h4r s GLN 65 Cb -0.17 -3.05 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 1h4r s GLN 65 CO -0.02 0.70 0.23 1.52 -0.55 0.00 0.00 175.29 177.18 1h4r s TYR 66 N -1.19 1.70 -0.01 1.67 1.13 -0.37 -0.47 117.35 119.81 1h4r s TYR 66 Ca 0.22 -1.56 0.04 0.00 -1.41 0.00 0.00 57.07 54.36 1h4r s TYR 66 Cb -0.12 -0.78 -0.01 0.00 -1.10 0.00 0.00 41.96 39.95 1h4r s TYR 66 CO 0.13 -0.73 -0.13 0.95 -2.51 0.00 0.00 175.55 173.26 1h4r s THR 67 N -3.48 1.01 -0.25 -3.49 -4.23 -1.26 -1.07 115.64 102.86 1h4r s THR 67 Ca 0.37 -0.53 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1h4r s THR 67 Cb 0.03 -0.85 0.05 0.00 1.34 0.00 0.00 72.50 73.06 1h4r s THR 67 CO 0.23 0.29 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.87 1h4r s ILE 68 N -0.21 2.38 0.00 2.99 1.01 0.06 -4.95 121.20 122.48 1h4r s ILE 68 Ca 0.03 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.28 1h4r s ILE 68 Cb -0.06 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1h4r s ILE 68 CO -0.00 0.08 0.00 0.29 0.00 0.00 0.00 174.94 175.31 1h4r n LYS 69 N 4.52 0.00 -1.03 2.79 5.02 -1.26 -1.16 118.16 127.04 1h4r n LYS 69 Ca -0.15 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 55.99 1h4r n LYS 69 Cb 0.44 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.64 1h4r n LYS 69 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1h4r n ASP 70 N 6.11 3.17 -4.20 4.39 8.00 -1.26 -4.98 116.55 127.78 1h4r n ASP 70 Ca 0.00 -3.69 -0.28 0.00 0.71 0.00 0.00 54.79 51.53 1h4r n ASP 70 Cb 0.00 -0.74 -0.16 0.00 -0.02 0.00 0.00 41.12 40.19 1h4r n ASP 70 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1h4r s THR 71 N -3.27 1.71 0.48 -3.53 2.01 -0.31 -5.13 115.64 107.60 1h4r s THR 71 Ca 0.51 -0.88 -0.23 0.00 0.31 0.00 0.00 61.69 61.40 1h4r s THR 71 Cb 0.45 -1.45 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 1h4r s THR 71 CO 0.06 0.48 1.23 -0.69 -0.69 0.00 0.00 174.62 175.01 1h4r s VAL 72 N -0.15 2.79 0.03 3.82 1.01 -1.26 -0.76 120.40 125.88 1h4r s VAL 72 Ca -0.01 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.45 1h4r s VAL 72 Cb -0.12 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.97 1h4r s VAL 72 CO 0.02 -0.00 0.23 0.00 0.00 0.00 0.00 175.10 175.35 1h4r s ALA 73 N -1.46 -0.50 -0.05 5.51 0.00 -0.24 -4.82 121.76 120.20 1h4r s ALA 73 Ca 0.66 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.56 1h4r s ALA 73 Cb -0.32 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1h4r s ALA 73 CO 0.39 -0.34 -0.20 -1.58 0.00 0.00 0.00 175.76 174.03 1h4r s TRP 74 N -2.26 2.55 0.28 0.00 0.52 -1.26 -1.23 118.94 117.53 1h4r s TRP 74 Ca -0.07 -0.40 -0.30 0.00 0.02 0.00 0.00 56.10 55.34 1h4r s TRP 74 Cb -0.02 -1.61 -0.12 0.00 -1.15 0.00 0.00 33.47 30.57 1h4r s TRP 74 CO -0.02 0.00 1.52 1.28 0.02 0.00 0.00 176.95 179.75 1h4r n LEU 75 N 2.59 3.88 -4.79 2.99 4.77 -0.43 -4.97 117.00 121.06 1h4r n LEU 75 Ca -0.17 1.15 -0.39 0.00 -0.03 0.00 0.00 56.01 56.57 1h4r n LEU 75 Cb 0.52 -1.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.02 1h4r n LEU 75 CO 0.25 -0.10 0.32 -0.54 -1.33 0.00 0.00 177.39 175.99 1h4r s LYS 76 N -0.55 4.31 0.22 3.23 3.01 -1.26 -4.77 119.74 123.93 1h4r s LYS 76 Ca 0.65 0.83 -0.04 0.00 -1.01 0.00 0.00 55.97 56.40 1h4r s LYS 76 Cb -0.55 -3.27 0.22 0.00 -1.01 0.00 0.00 37.83 33.21 1h4r s LYS 76 CO 0.50 0.55 1.66 0.52 0.51 0.00 0.00 175.35 179.09 1h4r h MET 77 N 4.79 0.78 -0.61 1.68 2.86 -1.93 -3.14 114.93 119.36 1h4r h MET 77 Ca -0.48 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 56.87 1h4r h MET 77 Cb 1.21 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1h4r h MET 77 CO 0.66 0.90 0.00 -0.25 1.06 0.00 0.00 176.91 179.27 1h4r n ASP 78 N -4.14 3.63 -4.29 1.22 8.00 -1.26 -1.54 116.55 118.18 1h4r n ASP 78 Ca 0.01 -2.29 -0.30 0.00 0.71 0.00 0.00 54.79 52.93 1h4r n ASP 78 Cb 0.40 -0.48 -0.16 0.00 -0.02 0.00 0.00 41.12 40.86 1h4r n ASP 78 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1h4r s LYS 79 N -1.69 1.91 0.31 -1.24 2.20 -1.19 -4.94 119.74 115.10 1h4r s LYS 79 Ca 0.39 -0.91 -0.29 0.00 -0.36 0.00 0.00 55.97 54.80 1h4r s LYS 79 Cb 0.24 -1.89 -0.12 0.00 -1.51 0.00 0.00 37.83 34.55 1h4r s LYS 79 CO 0.20 0.51 1.37 1.63 -0.36 0.00 0.00 175.35 178.71 1h4r n LYS 80 N 2.35 2.21 -0.13 4.03 5.02 -1.26 -1.13 118.16 129.25 1h4r n LYS 80 Ca -0.16 0.78 -0.04 0.00 -2.02 0.00 0.00 58.31 56.87 1h4r n LYS 80 Cb 0.52 -2.42 0.03 0.00 -0.02 0.00 0.00 35.03 33.14 1h4r n LYS 80 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1h4r h VAL 81 N 2.81 0.69 0.00 -0.18 2.07 -1.57 -1.69 116.25 118.38 1h4r h VAL 81 Ca -0.46 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1h4r h VAL 81 Cb 1.27 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1h4r h VAL 81 CO 0.68 0.02 0.00 0.18 0.02 0.00 0.00 177.57 178.47 1h4r n LEU 82 N -5.20 0.00 0.00 2.57 4.77 -1.26 -2.45 117.00 115.44 1h4r n LEU 82 Ca 0.03 0.39 0.14 0.00 -0.03 0.00 0.00 56.01 56.54 1h4r n LEU 82 Cb 0.22 -0.39 0.53 0.00 -2.33 0.00 0.00 43.42 41.45 1h4r n LEU 82 CO 0.19 -0.11 0.85 0.47 -1.33 0.00 0.00 177.39 177.45 1h4r n ASP 83 N -1.39 0.13 -4.84 -1.43 8.00 -0.63 -4.87 116.55 111.50 1h4r n ASP 83 Ca 0.08 0.34 -0.31 0.00 0.71 0.00 0.00 54.79 55.60 1h4r n ASP 83 Cb 0.21 -0.34 0.01 0.00 -0.02 0.00 0.00 41.12 40.98 1h4r n ASP 83 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1h4r s HIS 84 N -3.00 3.38 -1.33 1.24 3.76 -1.02 -4.93 115.29 113.39 1h4r s HIS 84 Ca 0.13 1.38 -0.15 0.00 -0.15 0.00 0.00 55.06 56.28 1h4r s HIS 84 Cb 0.19 -2.81 -0.02 0.00 1.11 0.00 0.00 32.58 31.05 1h4r s HIS 84 CO 0.57 -0.83 2.25 -3.47 -0.85 0.00 0.00 174.74 172.41 1h4r n ASP 85 N -2.58 4.23 -4.20 1.40 -0.08 -1.26 -4.86 116.55 109.20 1h4r n ASP 85 Ca 0.07 -2.76 -0.18 0.00 -1.51 0.00 0.00 54.79 50.41 1h4r n ASP 85 Cb 0.54 -1.52 -0.12 0.00 2.34 0.00 0.00 41.12 42.36 1h4r n ASP 85 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1h4r s VAL 86 N 3.43 1.18 0.25 5.18 0.11 -1.26 -4.83 120.40 124.47 1h4r s VAL 86 Ca 0.51 -1.50 -0.30 0.00 -2.93 0.00 0.00 61.98 57.76 1h4r s VAL 86 Cb 0.14 -1.28 -0.14 0.00 -1.53 0.00 0.00 36.38 33.57 1h4r s VAL 86 CO -0.04 -0.33 1.23 -1.20 -3.33 0.00 0.00 175.10 171.43 1h4r n SER 87 N 0.92 2.04 0.03 3.54 7.64 -1.26 -4.86 113.62 121.68 1h4r n SER 87 Ca -0.18 1.16 0.13 0.00 1.01 0.00 0.00 58.87 60.98 1h4r n SER 87 Cb 0.56 -1.35 0.34 0.00 -1.01 0.00 0.00 64.21 62.74 1h4r n SER 87 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1h4r n LYS 88 N 1.40 0.12 -1.73 1.43 2.85 -1.26 -4.81 118.16 116.16 1h4r n LYS 88 Ca 0.11 0.05 -0.42 0.00 -1.05 0.00 0.00 58.31 57.00 1h4r n LYS 88 Cb 0.31 -1.60 -0.03 0.00 -0.65 0.00 0.00 35.03 33.07 1h4r n LYS 88 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1h4r s GLU 89 N -3.06 4.12 0.13 -1.58 2.12 -1.26 -4.82 118.70 114.34 1h4r s GLU 89 Ca 0.10 2.61 -0.25 0.00 0.36 0.00 0.00 54.97 57.80 1h4r s GLU 89 Cb 0.16 -3.05 -0.07 0.00 0.26 0.00 0.00 34.13 31.42 1h4r s GLU 89 CO 0.65 -0.72 0.76 -1.21 -0.54 0.00 0.00 175.26 174.19 1h4r s GLU 90 N 0.66 4.52 0.15 4.30 2.02 -1.26 -2.93 118.70 126.16 1h4r s GLU 90 Ca 0.71 1.10 -0.26 0.00 0.02 0.00 0.00 54.97 56.55 1h4r s GLU 90 Cb -0.49 -3.29 -0.08 0.00 0.10 0.00 0.00 34.13 30.37 1h4r s GLU 90 CO 0.37 0.50 0.79 -1.25 0.02 0.00 0.00 175.26 175.69 1h4r s PRO 91 N -0.86 4.57 -0.06 0.39 0.04 -1.26 -5.10 135.00 132.73 1h4r s PRO 91 Ca 0.36 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1h4r s PRO 91 Cb -0.22 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1h4r s PRO 91 CO 0.25 0.52 1.32 0.08 0.04 0.00 0.00 177.00 179.22 1h4r s VAL 92 N -0.98 4.00 -0.11 -0.36 1.01 -0.57 -4.66 120.40 118.73 1h4r s VAL 92 Ca 0.37 1.32 -0.02 0.00 0.00 0.00 0.00 61.98 63.65 1h4r s VAL 92 Cb -0.23 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1h4r s VAL 92 CO 0.26 -0.03 -0.05 -0.89 0.00 0.00 0.00 175.10 174.39 1h4r s THR 93 N 2.68 3.81 0.07 3.92 2.01 -1.26 -0.49 115.64 126.38 1h4r s THR 93 Ca 0.60 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 62.23 1h4r s THR 93 Cb -0.27 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 1h4r s THR 93 CO 0.23 0.55 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.23 1h4r s PHE 94 N -0.21 1.06 -0.25 4.92 0.08 -0.32 -4.82 117.98 118.45 1h4r s PHE 94 Ca 0.03 -0.50 -0.08 0.00 0.12 0.00 0.00 56.93 56.50 1h4r s PHE 94 Cb -0.13 -0.60 -0.03 0.00 -0.57 0.00 0.00 43.02 41.69 1h4r s PHE 94 CO 0.02 0.02 0.09 -1.01 -0.10 0.00 0.00 175.22 174.24 1h4r s HIS 95 N -1.51 3.13 -0.35 0.36 3.76 0.38 -1.24 115.29 119.81 1h4r s HIS 95 Ca -0.03 -0.25 -0.25 0.00 -0.15 0.00 0.00 55.06 54.38 1h4r s HIS 95 Cb -0.09 -2.24 0.01 0.00 1.11 0.00 0.00 32.58 31.37 1h4r s HIS 95 CO 0.01 -0.25 0.89 0.12 -0.85 0.00 0.00 174.74 174.67 1h4r s PHE 96 N 1.46 3.11 0.07 1.40 5.36 0.43 0.16 117.98 129.98 1h4r s PHE 96 Ca 0.06 0.78 -0.08 0.00 -0.96 0.00 0.00 56.93 56.73 1h4r s PHE 96 Cb -0.15 -3.55 -0.01 0.00 -0.34 0.00 0.00 43.02 38.98 1h4r s PHE 96 CO 0.05 -0.77 0.16 -0.51 -1.46 0.00 0.00 175.22 172.69 1h4r s LEU 97 N 3.35 1.55 0.05 6.12 1.43 -0.90 -4.36 118.68 125.92 1h4r s LEU 97 Ca 0.37 -0.63 -0.31 0.00 -1.03 0.00 0.00 54.13 52.53 1h4r s LEU 97 Cb -0.12 0.90 -0.06 0.00 0.03 0.00 0.00 46.19 46.94 1h4r s LEU 97 CO 0.17 -0.67 1.36 0.00 0.23 0.00 0.00 176.35 177.44 1h4r s ALA 98 N -3.55 3.55 -0.16 4.21 0.00 -1.26 -1.29 121.76 123.26 1h4r s ALA 98 Ca 0.03 0.96 0.18 0.00 0.00 0.00 0.00 51.96 53.12 1h4r s ALA 98 Cb 0.04 -3.54 -0.25 0.00 0.00 0.00 0.00 23.12 19.36 1h4r s ALA 98 CO -0.09 -0.71 0.22 1.17 0.00 0.00 0.00 175.76 176.34 1h4r n LYS 99 N 4.59 0.68 -4.27 0.00 4.81 0.18 -4.91 118.16 119.24 1h4r n LYS 99 Ca 0.12 0.02 -0.20 0.00 -0.87 0.00 0.00 58.31 57.37 1h4r n LYS 99 Cb 0.44 -1.57 -0.11 0.00 0.02 0.00 0.00 35.03 33.81 1h4r n LYS 99 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1h4r s PHE 100 N -2.64 1.57 0.06 5.64 0.08 -0.78 -5.05 117.98 116.85 1h4r s PHE 100 Ca -0.09 -0.51 0.09 0.00 0.12 0.00 0.00 56.93 56.54 1h4r s PHE 100 Cb 0.07 -0.81 -0.03 0.00 -0.57 0.00 0.00 43.02 41.68 1h4r s PHE 100 CO 0.84 0.21 -0.25 0.71 -0.10 0.00 0.00 175.22 176.63 1h4r s TYR 101 N -2.00 2.15 0.75 0.36 1.51 -1.26 -4.77 117.35 114.09 1h4r s TYR 101 Ca 0.11 -0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.66 1h4r s TYR 101 Cb -0.06 -1.27 0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1h4r s TYR 101 CO 0.04 0.14 1.08 -1.25 -1.11 0.00 0.00 175.55 174.45 1h4r s PRO 102 N -1.34 2.45 0.04 -1.71 0.04 -1.26 -4.73 135.00 128.48 1h4r s PRO 102 Ca 0.11 0.96 -0.15 0.00 0.04 0.00 0.00 61.00 61.96 1h4r s PRO 102 Cb -0.10 -1.93 -0.35 0.00 0.04 0.00 0.00 34.50 32.16 1h4r s PRO 102 CO 0.03 -1.45 1.02 0.93 0.04 0.00 0.00 177.00 177.57 1h4r h GLU 103 N -0.97 0.52 -3.56 4.56 5.08 -1.99 -3.42 114.58 114.79 1h4r h GLU 103 Ca -0.45 -0.88 -0.55 0.00 -1.00 0.00 0.00 59.36 56.48 1h4r h GLU 103 Cb 1.23 0.33 -0.40 0.00 0.50 0.00 0.00 28.75 30.41 1h4r h GLU 103 CO 0.55 1.42 -0.76 1.21 -1.00 0.00 0.00 179.01 180.43 1h4r s ASN 104 N -7.54 3.49 0.34 1.42 2.47 -1.26 -5.01 114.94 108.85 1h4r s ASN 104 Ca -0.08 -1.22 0.03 0.00 0.42 0.00 0.00 52.86 52.01 1h4r s ASN 104 Cb 0.04 -0.73 0.65 0.00 -1.45 0.00 0.00 41.25 39.76 1h4r s ASN 104 CO 0.94 -0.36 1.95 0.00 -3.72 0.00 0.00 177.10 175.92 1h4r h ALA 105 N 8.17 1.61 -0.30 1.71 0.00 -1.92 -0.61 119.26 127.92 1h4r h ALA 105 Ca -0.15 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1h4r h ALA 105 Cb 1.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1h4r h ALA 105 CO 0.41 0.28 -0.25 1.49 0.00 0.00 0.00 179.25 181.17 1h4r h GLU 106 N 0.87 0.58 0.10 0.00 4.81 -1.92 -1.78 114.58 117.24 1h4r h GLU 106 Ca 0.33 -0.23 -0.19 0.00 -0.13 0.00 0.00 59.36 59.13 1h4r h GLU 106 Cb 0.18 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 29.55 1h4r h GLU 106 CO -0.11 0.78 -0.82 0.93 -0.73 0.00 0.00 179.01 179.06 1h4r h GLU 107 N 0.51 0.38 0.02 1.92 5.08 -1.85 -3.41 114.58 117.23 1h4r h GLU 107 Ca 0.07 -0.54 -0.31 0.00 -1.00 0.00 0.00 59.36 57.58 1h4r h GLU 107 Cb 0.70 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1h4r h GLU 107 CO 0.05 1.22 -1.79 0.39 -1.00 0.00 0.00 179.01 177.88 1h4r n GLU 108 N -4.10 0.65 -2.96 2.33 1.02 -0.29 -4.72 120.64 112.57 1h4r n GLU 108 Ca -0.13 0.27 -0.44 0.00 -0.02 0.00 0.00 57.16 56.85 1h4r n GLU 108 Cb 0.81 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 1h4r n GLU 108 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1h4r s LEU 109 N -6.17 5.01 0.05 -4.62 1.43 -0.68 -4.89 118.68 108.82 1h4r s LEU 109 Ca -0.07 -1.70 0.02 0.00 -1.03 0.00 0.00 54.13 51.34 1h4r s LEU 109 Cb 0.08 -2.38 -0.25 0.00 0.03 0.00 0.00 46.19 43.67 1h4r s LEU 109 CO 0.82 -1.15 1.05 0.58 0.23 0.00 0.00 176.35 177.87 1h4r h VAL 110 N 5.83 1.39 -3.47 -1.59 2.07 -1.87 -3.45 116.25 115.16 1h4r h VAL 110 Ca -0.03 -3.07 -0.53 0.00 0.82 0.00 0.00 66.70 63.89 1h4r h VAL 110 Cb 1.05 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 33.58 1h4r h VAL 110 CO 1.11 0.85 -0.02 -1.10 0.02 0.00 0.00 177.57 178.42 1h4r s GLN 111 N -2.66 3.98 0.17 1.57 -0.21 -1.26 -5.00 119.66 116.26 1h4r s GLN 111 Ca -0.04 0.53 -0.13 0.00 0.02 0.00 0.00 55.36 55.75 1h4r s GLN 111 Cb 0.08 -2.75 0.06 0.00 1.00 0.00 0.00 33.01 31.40 1h4r s GLN 111 CO 0.85 0.36 1.73 1.49 -2.12 0.00 0.00 175.29 177.59 1h4r h GLU 112 N 3.01 0.82 -0.81 2.91 4.81 -1.98 -1.45 114.58 121.90 1h4r h GLU 112 Ca -0.48 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 58.62 1h4r h GLU 112 Cb 1.18 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 1h4r h GLU 112 CO 0.66 0.70 0.53 0.97 -0.73 0.00 0.00 179.01 181.15 1h4r h ILE 113 N 0.76 1.20 -0.17 2.32 6.09 -1.93 -0.34 117.51 125.43 1h4r h ILE 113 Ca 0.19 -0.37 -0.02 0.00 -1.37 0.00 0.00 64.86 63.29 1h4r h ILE 113 Cb 0.18 0.02 -0.01 0.00 0.47 0.00 0.00 36.82 37.48 1h4r h ILE 113 CO -0.02 0.20 0.05 0.74 -3.07 0.00 0.00 178.15 176.05 1h4r h THR 114 N 1.08 1.20 -0.63 2.19 2.02 -1.88 -1.20 112.91 115.70 1h4r h THR 114 Ca 0.30 -0.63 0.05 0.00 0.77 0.00 0.00 66.41 66.90 1h4r h THR 114 Cb -0.11 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1h4r h THR 114 CO -0.07 0.19 0.36 1.56 0.37 0.00 0.00 175.52 177.93 1h4r h GLN 115 N 0.09 0.65 -0.27 6.66 4.20 -1.01 -2.25 115.11 123.18 1h4r h GLN 115 Ca 0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1h4r h GLN 115 Cb 0.26 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1h4r h GLN 115 CO 0.00 0.43 0.10 1.25 -0.67 0.00 0.00 178.83 179.94 1h4r h HIS 116 N 0.67 0.42 -0.30 2.96 2.76 -0.76 -0.42 115.15 120.49 1h4r h HIS 116 Ca 0.28 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.29 1h4r h HIS 116 Cb 0.14 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1h4r h HIS 116 CO -0.08 0.43 -0.32 -0.07 -1.30 0.00 0.00 177.93 176.59 1h4r h LEU 117 N 0.29 0.66 -0.35 0.26 3.38 -1.08 -1.41 115.31 117.06 1h4r h LEU 117 Ca 0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1h4r h LEU 117 Cb 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1h4r h LEU 117 CO -0.01 0.94 0.18 -0.26 0.09 0.00 0.00 178.44 179.38 1h4r h PHE 118 N 0.54 0.48 -0.24 1.13 0.04 -1.28 -1.90 116.94 115.71 1h4r h PHE 118 Ca 0.06 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.86 1h4r h PHE 118 Cb 0.82 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.77 1h4r h PHE 118 CO 0.04 0.39 -0.04 0.35 -0.60 0.00 0.00 178.31 178.45 1h4r h PHE 119 N 0.43 -0.10 -0.56 -0.55 3.57 -0.68 0.47 116.94 119.53 1h4r h PHE 119 Ca 0.12 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 1h4r h PHE 119 Cb 0.08 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1h4r h PHE 119 CO -0.02 -0.09 0.01 -0.07 -2.23 0.00 0.00 178.31 175.91 1h4r h LEU 120 N 0.02 0.96 -0.33 0.59 3.38 -1.22 -0.42 115.31 118.29 1h4r h LEU 120 Ca 0.12 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1h4r h LEU 120 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1h4r h LEU 120 CO -0.24 1.03 0.04 -0.61 0.09 0.00 0.00 178.44 178.75 1h4r h GLN 121 N 0.87 0.55 -0.34 1.13 4.15 -1.01 -2.27 115.11 118.19 1h4r h GLN 121 Ca 0.16 -0.16 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 1h4r h GLN 121 Cb 0.53 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1h4r h GLN 121 CO 0.03 0.65 -0.42 0.28 -1.93 0.00 0.00 178.83 177.44 1h4r h VAL 122 N 0.38 1.28 -0.68 2.39 2.07 -0.86 -2.43 116.25 118.39 1h4r h VAL 122 Ca 0.10 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 66.03 1h4r h VAL 122 Cb 0.38 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1h4r h VAL 122 CO 0.01 0.53 0.45 0.50 0.02 0.00 0.00 177.57 179.07 1h4r h LYS 123 N 0.69 0.88 -0.78 1.57 3.64 -1.04 -0.84 116.57 120.68 1h4r h LYS 123 Ca 0.05 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1h4r h LYS 123 Cb 1.00 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 1h4r h LYS 123 CO 0.10 0.58 0.41 -0.22 -2.27 0.00 0.00 179.45 178.05 1h4r h LYS 124 N 0.90 1.10 -0.93 1.90 1.63 -1.28 0.12 116.57 120.00 1h4r h LYS 124 Ca 0.26 -0.14 0.03 0.00 -0.85 0.00 0.00 60.65 59.95 1h4r h LYS 124 Cb -0.08 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 31.29 1h4r h LYS 124 CO -0.07 0.82 0.61 1.96 -3.45 0.00 0.00 179.45 179.33 1h4r h GLN 125 N 1.09 1.15 -0.10 1.90 4.20 -0.88 0.26 115.11 122.72 1h4r h GLN 125 Ca 0.27 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1h4r h GLN 125 Cb 0.06 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 1h4r h GLN 125 CO -0.04 0.76 -0.03 0.82 -0.67 0.00 0.00 178.83 179.67 1h4r h ILE 126 N 1.19 1.30 -0.07 2.54 1.08 -0.49 0.19 117.51 123.24 1h4r h ILE 126 Ca 0.37 -0.97 -0.09 0.00 -0.39 0.00 0.00 64.86 63.78 1h4r h ILE 126 Cb -0.01 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 1h4r h ILE 126 CO -0.12 0.28 -0.37 -0.07 -0.69 0.00 0.00 178.15 177.18 1h4r h LEU 127 N -0.13 0.14 -1.00 1.44 3.38 -0.61 -2.31 115.31 116.21 1h4r h LEU 127 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1h4r h LEU 127 Cb 0.45 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1h4r h LEU 127 CO 0.01 0.50 0.00 0.47 0.09 0.00 0.00 178.44 179.51 1h4r n ASP 128 N -4.07 1.51 -2.03 -0.43 8.00 0.06 -4.49 116.55 115.10 1h4r n ASP 128 Ca -0.02 -1.66 -0.16 0.00 0.71 0.00 0.00 54.79 53.66 1h4r n ASP 128 Cb 0.43 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.45 1h4r n ASP 128 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1h4r n GLU 129 N 0.21 -2.59 0.07 -1.24 1.02 -0.85 -4.91 120.64 112.35 1h4r n GLU 129 Ca 0.16 0.69 -0.10 0.00 -0.02 0.00 0.00 57.16 57.89 1h4r n GLU 129 Cb 0.31 -5.03 -0.13 0.00 -0.02 0.00 0.00 31.44 26.57 1h4r n GLU 129 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1h4r h LYS 130 N -0.59 0.09 -5.06 3.49 1.79 -0.89 -3.41 116.57 111.99 1h4r h LYS 130 Ca -0.37 -0.16 -0.66 0.00 -2.18 0.00 0.00 60.65 57.28 1h4r h LYS 130 Cb 1.27 0.06 -0.29 0.00 -1.58 0.00 0.00 32.23 31.68 1h4r h LYS 130 CO 0.42 1.06 -0.76 0.42 -1.08 0.00 0.00 179.45 179.51 1h4r s ILE 131 N -2.69 3.03 0.27 1.86 1.01 -1.18 -5.01 121.20 118.49 1h4r s ILE 131 Ca -0.01 -0.62 -0.31 0.00 0.00 0.00 0.00 60.65 59.72 1h4r s ILE 131 Cb 0.09 -2.35 -0.12 0.00 0.01 0.00 0.00 42.46 40.09 1h4r s ILE 131 CO 0.84 0.46 1.52 0.00 0.00 0.00 0.00 174.94 177.76 1h4r n TYR 132 N 4.58 2.54 -3.67 3.97 9.36 -1.26 -4.67 117.16 128.02 1h4r n TYR 132 Ca -0.19 0.33 -0.20 0.00 3.32 0.00 0.00 57.90 61.16 1h4r n TYR 132 Cb 0.51 -2.54 -0.18 0.00 -0.63 0.00 0.00 39.34 36.50 1h4r n TYR 132 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1h4r s PRO 134 N 2.19 1.68 0.15 0.00 0.04 -1.26 -4.77 135.00 133.03 1h4r s PRO 134 Ca 0.05 0.75 -0.16 0.00 0.04 0.00 0.00 61.00 61.67 1h4r s PRO 134 Cb -0.12 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1h4r s PRO 134 CO -0.04 -1.93 1.78 -1.00 0.04 0.00 0.00 177.00 175.86 1h4r h PRO 135 N -1.32 0.57 -0.38 0.56 0.13 -1.98 -0.87 132.00 128.71 1h4r h PRO 135 Ca -0.48 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.51 1h4r h PRO 135 Cb 1.27 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1h4r h PRO 135 CO 0.57 0.42 -0.09 0.93 -0.23 0.00 0.00 178.00 179.60 1h4r h GLU 136 N 0.55 0.73 -0.98 0.86 4.39 -2.00 -1.81 114.58 116.31 1h4r h GLU 136 Ca 0.15 -0.28 0.07 0.00 0.34 0.00 0.00 59.36 59.65 1h4r h GLU 136 Cb 0.00 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.54 1h4r h GLU 136 CO -0.03 0.87 0.63 0.00 -1.16 0.00 0.00 179.01 179.33 1h4r h ALA 137 N 0.83 1.45 -0.27 3.43 0.00 -1.92 -2.02 119.26 120.76 1h4r h ALA 137 Ca 0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1h4r h ALA 137 Cb 0.60 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1h4r h ALA 137 CO 0.04 0.39 -0.09 0.66 0.00 0.00 0.00 179.25 180.25 1h4r h SER 138 N 1.11 0.42 -0.11 0.00 4.64 -0.47 -0.15 113.55 119.00 1h4r h SER 138 Ca 0.43 -0.09 -0.21 0.00 -0.47 0.00 0.00 61.79 61.45 1h4r h SER 138 Cb 0.22 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1h4r h SER 138 CO -0.18 0.55 -0.76 0.58 -0.87 0.00 0.00 176.83 176.16 1h4r h VAL 139 N 0.42 1.30 -0.40 0.95 2.07 -0.82 -1.22 116.25 118.55 1h4r h VAL 139 Ca 0.08 -1.99 -0.00 0.00 0.82 0.00 0.00 66.70 65.61 1h4r h VAL 139 Cb 0.42 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1h4r h VAL 139 CO 0.02 0.62 0.24 0.25 0.02 0.00 0.00 177.57 178.72 1h4r h LEU 140 N 0.40 0.48 -0.34 2.57 5.85 -1.10 -1.53 115.31 121.64 1h4r h LEU 140 Ca -0.06 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1h4r h LEU 140 Cb 1.40 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1h4r h LEU 140 CO 0.15 0.40 0.19 -0.07 -0.34 0.00 0.00 178.44 178.77 1h4r h LEU 141 N 0.52 0.30 -1.22 2.25 3.38 -1.00 -2.50 115.31 117.03 1h4r h LEU 141 Ca 0.14 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1h4r h LEU 141 Cb 0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1h4r h LEU 141 CO -0.03 0.22 0.54 0.00 0.09 0.00 0.00 178.44 179.27 1h4r h ALA 142 N 1.16 1.53 -0.30 1.53 0.00 -0.88 -0.77 119.26 121.53 1h4r h ALA 142 Ca 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1h4r h ALA 142 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1h4r h ALA 142 CO -0.07 0.37 0.07 0.66 0.00 0.00 0.00 179.25 180.27 1h4r h SER 143 N 0.98 0.39 0.49 0.00 4.64 -0.83 0.48 113.55 119.69 1h4r h SER 143 Ca 0.34 -0.05 -0.25 0.00 -0.47 0.00 0.00 61.79 61.37 1h4r h SER 143 Cb 0.11 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1h4r h SER 143 CO -0.11 0.41 -1.08 1.88 -0.87 0.00 0.00 176.83 177.05 1h4r h TYR 144 N 0.43 0.54 -0.86 4.77 0.05 -1.03 -1.88 116.97 118.99 1h4r h TYR 144 Ca 0.10 -0.34 -0.02 0.00 0.05 0.00 0.00 58.73 58.52 1h4r h TYR 144 Cb 0.17 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.83 1h4r h TYR 144 CO 0.01 1.21 0.44 0.00 -1.05 0.00 0.00 178.16 178.76 1h4r h ALA 145 N 0.67 1.17 -0.33 3.88 0.00 -0.59 0.06 119.26 124.12 1h4r h ALA 145 Ca -0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1h4r h ALA 145 Cb 1.76 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1h4r h ALA 145 CO 0.18 0.65 0.01 0.28 0.00 0.00 0.00 179.25 180.37 1h4r h VAL 146 N 1.21 1.26 -0.70 0.00 2.07 -0.88 -1.91 116.25 117.29 1h4r h VAL 146 Ca 0.30 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.93 1h4r h VAL 146 Cb 0.07 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1h4r h VAL 146 CO -0.04 0.31 0.41 -0.61 0.02 0.00 0.00 177.57 177.65 1h4r h GLN 147 N 0.38 0.74 -0.46 1.57 5.75 -0.97 0.15 115.11 122.27 1h4r h GLN 147 Ca 0.09 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1h4r h GLN 147 Cb 0.43 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1h4r h GLN 147 CO 0.02 0.49 0.08 0.00 -2.65 0.00 0.00 178.83 176.76 1h4r h ALA 148 N 1.34 1.27 0.08 3.38 0.00 -0.82 -0.85 119.26 123.67 1h4r h ALA 148 Ca 0.30 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 1h4r h ALA 148 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1h4r h ALA 148 CO -0.16 0.50 -1.50 -0.22 0.00 0.00 0.00 179.25 177.87 1h4r h LYS 149 N 0.68 0.17 0.00 0.00 3.64 -0.87 -3.41 116.57 116.78 1h4r h LYS 149 Ca 0.15 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1h4r h LYS 149 Cb 0.31 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1h4r h LYS 149 CO 0.00 1.14 -1.34 0.66 -2.27 0.00 0.00 179.45 177.64 1h4r n TYR 150 N -3.97 0.10 -4.21 1.91 4.02 0.49 -5.10 117.16 110.41 1h4r n TYR 150 Ca -0.29 0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 1h4r n TYR 150 Cb 0.87 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1h4r n TYR 150 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h4r n GLY 151 N 1.37 -0.96 3.77 2.72 0.00 -0.32 -4.89 105.19 106.87 1h4r n GLY 151 Ca 0.01 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1h4r n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h4r n ASP 152 N -0.60 3.83 -4.76 1.61 8.00 -1.26 -4.57 116.55 118.79 1h4r n ASP 152 Ca 0.00 1.21 -0.41 0.00 0.71 0.00 0.00 54.79 56.30 1h4r n ASP 152 Cb 0.00 -1.62 -0.01 0.00 -0.02 0.00 0.00 41.12 39.47 1h4r n ASP 152 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1h4r s TYR 153 N -0.90 2.71 -0.27 1.24 5.04 -1.26 -5.00 117.35 118.90 1h4r s TYR 153 Ca 0.55 0.96 -0.02 0.00 -2.44 0.00 0.00 57.07 56.12 1h4r s TYR 153 Cb -0.48 -4.03 0.12 0.00 0.35 0.00 0.00 41.96 37.92 1h4r s TYR 153 CO 0.61 -3.28 0.24 0.34 -1.34 0.00 0.00 175.55 172.12 1h4r s ASP 154 N 0.22 2.07 0.37 4.32 -1.08 -1.26 -5.02 116.67 116.28 1h4r s ASP 154 Ca 0.59 -0.78 0.22 0.00 -0.52 0.00 0.00 52.55 52.06 1h4r s ASP 154 Cb -0.47 0.28 1.21 0.00 -1.46 0.00 0.00 42.92 42.48 1h4r s ASP 154 CO 0.54 -0.39 1.66 1.55 0.52 0.00 0.00 175.17 179.05 1h4r h PRO 155 N 8.31 0.00 0.00 4.34 0.13 -1.95 0.36 132.00 143.19 1h4r h PRO 155 Ca -0.16 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.85 1h4r h PRO 155 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1h4r h PRO 155 CO 0.35 0.00 -0.63 0.66 -0.23 0.00 0.00 178.00 178.15 1h4r h SER 156 N 0.00 0.00 0.00 1.44 4.64 -2.02 -3.38 113.55 114.23 1h4r h SER 156 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1h4r h SER 156 Cb 0.17 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 1h4r h SER 156 CO 0.00 0.58 -2.11 0.52 -0.87 0.00 0.00 176.83 174.95 1h4r n VAL 157 N -3.22 1.11 -2.93 0.95 0.31 -0.24 -4.78 118.33 109.53 1h4r n VAL 157 Ca 0.01 -0.39 -0.44 0.00 -0.01 0.00 0.00 64.34 63.51 1h4r n VAL 157 Cb 0.77 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 1h4r n VAL 157 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1h4r n HIS 158 N -3.28 4.60 -2.33 3.52 8.25 0.11 -5.01 115.22 121.07 1h4r n HIS 158 Ca -0.36 -3.34 -0.27 0.00 -0.26 0.00 0.00 57.72 53.49 1h4r n HIS 158 Cb 0.84 -2.02 0.03 0.00 1.12 0.00 0.00 29.99 29.97 1h4r n HIS 158 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1h4r s LYS 159 N 0.62 2.96 -0.24 -0.41 2.47 -1.26 -4.53 119.74 119.35 1h4r s LYS 159 Ca 0.40 0.09 -0.43 0.00 -1.56 0.00 0.00 55.97 54.46 1h4r s LYS 159 Cb -0.02 -2.24 -0.19 0.00 -1.46 0.00 0.00 37.83 33.92 1h4r s LYS 159 CO -0.01 -0.71 1.39 -2.13 0.16 0.00 0.00 175.35 174.05 1h4r n ARG 160 N -2.62 0.19 0.00 4.03 0.63 -1.26 -1.15 116.66 116.48 1h4r n ARG 160 Ca 0.05 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 1h4r n ARG 160 Cb 0.57 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.88 1h4r n ARG 160 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1h4r n GLY 161 N 2.95 0.47 0.25 5.14 0.00 -1.26 -4.97 105.19 107.77 1h4r n GLY 161 Ca 0.25 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.45 1h4r n GLY 161 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1h4r h PHE 162 N 0.00 0.00 -0.48 1.61 -0.00 -1.47 -1.84 116.94 114.75 1h4r h PHE 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1h4r h PHE 162 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1h4r h PHE 162 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 179.59 1h4r n LEU 163 N -2.76 3.39 0.23 2.10 4.77 -1.26 -4.69 117.00 118.78 1h4r n LEU 163 Ca -0.01 -1.80 0.18 0.00 -0.03 0.00 0.00 56.01 54.35 1h4r n LEU 163 Cb 0.13 -0.32 0.84 0.00 -2.33 0.00 0.00 43.42 41.74 1h4r n LEU 163 CO 0.19 0.81 1.15 0.00 -1.33 0.00 0.00 177.39 178.21 1h4r h ALA 164 N 3.53 1.65 -0.23 -1.18 0.00 -1.75 -2.17 119.26 119.11 1h4r h ALA 164 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h4r h ALA 164 Cb 0.88 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1h4r h ALA 164 CO 0.00 -0.39 0.00 1.04 0.00 0.00 0.00 179.25 179.90 1h4r n GLN 165 N -3.37 2.74 -3.75 0.00 6.02 -1.26 -5.01 117.38 112.75 1h4r n GLN 165 Ca 0.01 -2.28 -0.37 0.00 -0.01 0.00 0.00 57.00 54.36 1h4r n GLN 165 Cb 0.41 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 30.17 1h4r n GLN 165 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1h4r s GLU 166 N -1.79 3.72 -0.55 -1.09 0.41 -0.82 -5.04 118.70 113.54 1h4r s GLU 166 Ca 0.27 -0.02 -0.21 0.00 -0.41 0.00 0.00 54.97 54.59 1h4r s GLU 166 Cb 0.19 -3.25 0.06 0.00 -1.78 0.00 0.00 34.13 29.34 1h4r s GLU 166 CO 0.10 0.64 0.80 -2.00 -0.49 0.00 0.00 175.26 174.31 1h4r s GLU 167 N -0.69 3.20 -0.00 1.61 2.12 -1.26 -4.84 118.70 118.83 1h4r s GLU 167 Ca 0.16 -0.66 0.03 0.00 0.36 0.00 0.00 54.97 54.86 1h4r s GLU 167 Cb -0.13 -4.11 -0.05 0.00 0.26 0.00 0.00 34.13 30.11 1h4r s GLU 167 CO 0.05 -1.42 0.09 1.28 -0.54 0.00 0.00 175.26 174.72 1h4r n LEU 168 N 6.88 0.04 -4.16 2.70 4.77 -1.26 -5.07 117.00 120.89 1h4r n LEU 168 Ca -0.03 -0.13 -0.17 0.00 -0.03 0.00 0.00 56.01 55.65 1h4r n LEU 168 Cb 0.46 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.43 1h4r n LEU 168 CO 0.59 0.01 -0.45 -0.76 -1.33 0.00 0.00 177.39 175.46 1h4r s LEU 169 N -2.94 2.30 0.38 2.23 1.02 -1.26 -4.56 118.68 115.84 1h4r s LEU 169 Ca -0.01 -0.65 -0.27 0.00 0.02 0.00 0.00 54.13 53.23 1h4r s LEU 169 Cb 0.02 -0.45 -0.10 0.00 0.02 0.00 0.00 46.19 45.68 1h4r s LEU 169 CO 0.13 -0.12 1.33 -2.84 0.02 0.00 0.00 176.35 174.88 1h4r s PRO 170 N -1.92 4.12 0.33 1.29 0.02 -1.26 -4.92 135.00 132.66 1h4r s PRO 170 Ca -0.01 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.28 1h4r s PRO 170 Cb -0.09 -2.90 0.62 0.00 0.02 0.00 0.00 34.50 32.16 1h4r s PRO 170 CO 0.02 -0.40 1.94 0.87 -0.33 0.00 0.00 177.00 179.10 1h4r h LYS 171 N 2.97 0.88 -0.40 5.54 1.57 -1.93 -1.04 116.57 124.16 1h4r h LYS 171 Ca -0.50 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.30 1h4r h LYS 171 Cb 1.24 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1h4r h LYS 171 CO 0.64 0.58 0.27 -0.09 -0.57 0.00 0.00 179.45 180.28 1h4r h ARG 172 N 0.90 0.25 -0.21 3.15 2.43 -1.94 -1.50 114.38 117.46 1h4r h ARG 172 Ca 0.34 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.35 1h4r h ARG 172 Cb 0.19 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1h4r h ARG 172 CO -0.12 0.17 -0.50 0.28 -1.51 0.00 0.00 179.97 178.29 1h4r h VAL 173 N 0.26 1.31 -0.38 0.20 2.07 -1.53 -2.66 116.25 115.51 1h4r h VAL 173 Ca 0.18 -1.71 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 1h4r h VAL 173 Cb 0.38 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1h4r h VAL 173 CO -0.04 0.54 0.03 0.40 0.02 0.00 0.00 177.57 178.52 1h4r h ILE 174 N 0.44 1.20 0.00 4.57 1.08 -1.30 -2.21 117.51 121.29 1h4r h ILE 174 Ca 0.02 -0.78 -0.08 0.00 -0.39 0.00 0.00 64.86 63.63 1h4r h ILE 174 Cb 1.02 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.64 1h4r h ILE 174 CO 0.09 0.27 -0.38 0.78 -0.69 0.00 0.00 178.15 178.23 1h4r h ASN 175 N 0.57 0.00 0.98 1.72 2.35 -1.13 -3.17 115.58 116.89 1h4r h ASN 175 Ca 0.12 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.67 1h4r h ASN 175 Cb 0.31 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 1h4r h ASN 175 CO 0.01 0.38 -1.05 -0.07 -1.65 0.00 0.00 177.43 175.05 1h4r h LEU 176 N 0.00 0.00 -9.12 1.61 3.38 -1.11 -3.45 115.31 106.62 1h4r h LEU 176 Ca -0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.28 1h4r h LEU 176 Cb 0.68 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.24 1h4r h LEU 176 CO 0.05 0.93 -0.71 -0.31 0.09 0.00 0.00 178.44 178.49 1h4r s TYR 177 N -2.73 2.88 -0.95 1.13 2.02 -1.02 -5.04 117.35 113.63 1h4r s TYR 177 Ca 0.01 -0.03 -0.01 0.00 -0.37 0.00 0.00 57.07 56.66 1h4r s TYR 177 Cb 0.09 -1.65 0.30 0.00 -0.40 0.00 0.00 41.96 40.30 1h4r s TYR 177 CO 0.81 0.33 1.34 1.04 -1.57 0.00 0.00 175.55 177.50 1h4r n GLN 178 N 1.92 4.11 -4.26 -0.62 3.00 -1.26 -4.79 117.38 115.48 1h4r n GLN 178 Ca -0.17 -4.62 -0.27 0.00 -0.01 0.00 0.00 57.00 51.93 1h4r n GLN 178 Cb 0.53 -2.43 -0.09 0.00 0.00 0.00 0.00 30.24 28.24 1h4r n GLN 178 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1h4r s MET 179 N -2.97 2.11 0.71 -1.09 -1.94 -1.26 -5.12 119.30 109.74 1h4r s MET 179 Ca 0.35 -1.19 -0.11 0.00 -1.71 0.00 0.00 55.69 53.03 1h4r s MET 179 Cb 0.10 -2.22 0.02 0.00 2.01 0.00 0.00 34.83 34.74 1h4r s MET 179 CO 0.04 0.45 1.07 0.95 -0.01 0.00 0.00 175.02 177.53 1h4r s THR 180 N -1.58 3.73 0.21 2.05 -4.23 -1.26 -4.84 115.64 109.72 1h4r s THR 180 Ca 0.24 0.56 -0.10 0.00 -1.18 0.00 0.00 61.69 61.21 1h4r s THR 180 Cb -0.09 -3.41 0.17 0.00 1.34 0.00 0.00 72.50 70.50 1h4r s THR 180 CO 0.15 -0.74 1.69 -0.65 -0.54 0.00 0.00 174.62 174.53 1h4r h PRO 181 N -0.74 0.19 -0.74 3.99 0.11 -2.00 -1.61 132.00 131.20 1h4r h PRO 181 Ca -0.45 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1h4r h PRO 181 Cb 1.23 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1h4r h PRO 181 CO 0.60 0.13 0.47 0.93 -0.21 0.00 0.00 178.00 179.92 1h4r h GLU 182 N 0.20 0.89 -0.28 1.05 3.07 -1.99 -1.60 114.58 115.92 1h4r h GLU 182 Ca 0.31 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.99 1h4r h GLU 182 Cb 0.48 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1h4r h GLU 182 CO -0.44 0.59 -0.35 0.52 -1.40 0.00 0.00 179.01 177.92 1h4r h MET 183 N 0.92 0.62 -0.44 2.33 2.86 -1.74 -0.33 114.93 119.16 1h4r h MET 183 Ca 0.30 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 1h4r h MET 183 Cb 0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1h4r h MET 183 CO -0.11 0.88 0.10 -1.49 1.06 0.00 0.00 176.91 177.35 1h4r h TRP 184 N 0.52 0.75 -0.79 -0.22 4.06 -1.03 -1.48 115.95 117.75 1h4r h TRP 184 Ca 0.05 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 1h4r h TRP 184 Cb 0.86 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 28.77 1h4r h TRP 184 CO 0.04 0.70 0.46 1.49 -3.56 0.00 0.00 178.44 177.56 1h4r h GLU 185 N 0.58 1.09 -0.58 0.49 4.81 -1.06 -2.40 114.58 117.51 1h4r h GLU 185 Ca 0.14 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1h4r h GLU 185 Cb 0.33 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1h4r h GLU 185 CO 0.00 0.79 0.30 1.49 -0.73 0.00 0.00 179.01 180.86 1h4r h GLU 186 N 1.09 0.82 -0.51 1.92 4.81 -0.80 -0.24 114.58 121.67 1h4r h GLU 186 Ca 0.28 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1h4r h GLU 186 Cb -0.00 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 1h4r h GLU 186 CO -0.05 0.65 0.29 0.00 -0.73 0.00 0.00 179.01 179.17 1h4r h ARG 187 N 0.78 0.56 -0.13 1.92 2.47 -0.97 0.57 114.38 119.57 1h4r h ARG 187 Ca 0.20 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.86 1h4r h ARG 187 Cb 0.08 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1h4r h ARG 187 CO -0.03 0.37 -0.00 0.82 0.56 0.00 0.00 179.97 181.69 1h4r h ILE 188 N 0.57 1.26 -0.95 2.04 2.04 -1.16 -3.16 117.51 118.16 1h4r h ILE 188 Ca 0.21 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.31 1h4r h ILE 188 Cb 0.06 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 1h4r h ILE 188 CO -0.12 0.24 0.61 0.74 0.00 0.00 0.00 178.15 179.63 1h4r h THR 189 N -0.03 1.06 -0.42 -0.27 2.02 -0.82 -0.56 112.91 113.88 1h4r h THR 189 Ca 0.04 -0.37 0.06 0.00 0.77 0.00 0.00 66.41 66.91 1h4r h THR 189 Cb 0.37 -0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 1h4r h THR 189 CO 0.01 0.20 0.11 0.00 0.37 0.00 0.00 175.52 176.20 1h4r h ALA 190 N 1.49 0.47 -0.23 6.16 0.00 -0.85 0.13 119.26 126.43 1h4r h ALA 190 Ca 0.41 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.29 1h4r h ALA 190 Cb 0.22 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1h4r h ALA 190 CO -0.16 -0.29 -0.26 -1.49 0.00 0.00 0.00 179.25 177.05 1h4r h TRP 191 N 0.25 0.71 -0.75 0.00 -0.00 -1.41 -3.25 115.95 111.49 1h4r h TRP 191 Ca 0.20 -0.22 0.12 0.00 -0.00 0.00 0.00 58.89 58.99 1h4r h TRP 191 Cb 0.23 -0.15 -0.08 0.00 -0.00 0.00 0.00 29.16 29.16 1h4r h TRP 191 CO -0.19 0.93 0.35 -0.92 -0.00 0.00 0.00 178.44 178.61 1h4r h TYR 192 N 0.29 0.61 -0.13 0.49 3.20 -0.56 -0.89 116.97 119.98 1h4r h TYR 192 Ca 0.03 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.97 1h4r h TYR 192 Cb 0.82 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1h4r h TYR 192 CO 0.08 0.16 0.11 0.00 -1.64 0.00 0.00 178.16 176.87 1h4r h ALA 193 N 1.50 1.94 -0.00 1.82 0.00 -0.79 -1.77 119.26 121.94 1h4r h ALA 193 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1h4r h ALA 193 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1h4r h ALA 193 CO -0.33 -0.18 -0.08 0.39 0.00 0.00 0.00 179.25 179.04 1h4r n GLU 194 N -4.19 0.83 -0.27 0.00 1.02 -0.34 -3.54 120.64 114.15 1h4r n GLU 194 Ca 0.00 -0.28 0.12 0.00 -0.02 0.00 0.00 57.16 56.98 1h4r n GLU 194 Cb 0.23 -1.49 0.27 0.00 -0.02 0.00 0.00 31.44 30.42 1h4r n GLU 194 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1h4r n HIS 195 N -0.84 0.70 -1.65 -0.32 8.25 -0.67 -4.98 115.22 115.72 1h4r n HIS 195 Ca 0.16 -0.35 -0.47 0.00 -0.26 0.00 0.00 57.72 56.80 1h4r n HIS 195 Cb 0.26 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.33 1h4r n HIS 195 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1h4r n ARG 196 N 1.50 1.84 -0.02 -0.41 1.74 -1.23 -1.68 116.66 118.40 1h4r n ARG 196 Ca 0.21 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 1h4r n ARG 196 Cb 0.59 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 1h4r n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h4r n GLY 197 N 2.71 0.33 3.69 -0.13 0.00 -1.26 -5.07 105.19 105.47 1h4r n GLY 197 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1h4r n GLY 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h4r s ARG 198 N -0.96 4.28 0.77 1.61 0.52 -0.68 -5.06 118.95 119.42 1h4r s ARG 198 Ca 0.00 0.48 -0.11 0.00 -0.52 0.00 0.00 55.73 55.58 1h4r s ARG 198 Cb 0.00 -3.50 0.06 0.00 0.52 0.00 0.00 34.95 32.03 1h4r s ARG 198 CO 0.00 -0.00 1.09 0.00 0.02 0.00 0.00 175.30 176.41 1h4r s ALA 199 N 1.15 2.26 0.18 2.13 0.00 -1.26 -4.79 121.76 121.42 1h4r s ALA 199 Ca 0.26 0.27 -0.17 0.00 0.00 0.00 0.00 51.96 52.31 1h4r s ALA 199 Cb -0.15 -3.27 0.13 0.00 0.00 0.00 0.00 23.12 19.83 1h4r s ALA 199 CO 0.10 -1.76 1.64 -0.09 0.00 0.00 0.00 175.76 175.65 1h4r h ARG 200 N -1.12 -0.06 -0.17 0.00 2.43 -1.86 -1.28 114.38 112.33 1h4r h ARG 200 Ca -0.44 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.68 1h4r h ARG 200 Cb 1.23 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1h4r h ARG 200 CO 0.51 -0.04 -0.16 0.38 -1.51 0.00 0.00 179.97 179.16 1h4r h ASP 201 N -0.06 0.26 -0.51 -3.80 2.03 -1.92 -2.12 116.42 110.30 1h4r h ASP 201 Ca 0.22 -0.06 -0.08 0.00 -0.73 0.00 0.00 57.03 56.38 1h4r h ASP 201 Cb 0.40 -0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 38.82 1h4r h ASP 201 CO -0.51 0.44 0.01 -0.33 -1.03 0.00 0.00 179.24 177.83 1h4r h GLU 202 N 0.26 0.89 -0.77 4.15 5.08 -1.68 -2.33 114.58 120.18 1h4r h GLU 202 Ca 0.05 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1h4r h GLU 202 Cb 0.43 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1h4r h GLU 202 CO 0.03 0.91 0.39 0.00 -1.00 0.00 0.00 179.01 179.34 1h4r h ALA 203 N 0.95 1.00 -0.50 3.43 0.00 -0.65 -0.72 119.26 122.77 1h4r h ALA 203 Ca 0.15 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1h4r h ALA 203 Cb 0.50 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1h4r h ALA 203 CO 0.02 0.55 0.02 0.93 0.00 0.00 0.00 179.25 180.77 1h4r h GLU 204 N 1.09 0.83 -0.43 0.00 5.08 -1.29 -0.93 114.58 118.93 1h4r h GLU 204 Ca 0.27 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1h4r h GLU 204 Cb 0.10 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1h4r h GLU 204 CO -0.04 0.82 -0.15 1.98 -1.00 0.00 0.00 179.01 180.63 1h4r h MET 205 N 0.78 0.86 -0.87 2.33 4.05 -1.03 -2.10 114.93 118.95 1h4r h MET 205 Ca 0.15 -0.35 0.02 0.00 -0.28 0.00 0.00 59.70 59.25 1h4r h MET 205 Cb 0.45 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.16 1h4r h MET 205 CO 0.02 0.99 0.58 0.93 0.23 0.00 0.00 176.91 179.65 1h4r h GLU 206 N 0.69 1.10 -0.05 0.39 4.39 -0.78 0.30 114.58 120.61 1h4r h GLU 206 Ca 0.10 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1h4r h GLU 206 Cb 0.70 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1h4r h GLU 206 CO 0.05 0.72 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.68 1h4r h TYR 207 N 1.13 -0.07 -0.74 4.33 5.03 -0.94 -2.43 116.97 123.28 1h4r h TYR 207 Ca 0.33 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.64 1h4r h TYR 207 Cb -0.05 0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.24 1h4r h TYR 207 CO -0.00 -0.05 0.41 -0.07 -1.32 0.00 0.00 178.16 177.13 1h4r h LEU 208 N -0.04 0.90 -1.16 2.82 3.38 -0.61 -0.88 115.31 119.73 1h4r h LEU 208 Ca 0.03 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1h4r h LEU 208 Cb 0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1h4r h LEU 208 CO -0.07 0.72 0.57 0.11 0.09 0.00 0.00 178.44 179.86 1h4r h LYS 209 N 1.02 1.12 -0.00 1.13 1.57 -0.60 0.23 116.57 121.04 1h4r h LYS 209 Ca 0.26 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1h4r h LYS 209 Cb 0.01 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.07 1h4r h LYS 209 CO -0.04 0.74 -0.08 0.82 -0.57 0.00 0.00 179.45 180.31 1h4r h ILE 210 N 1.15 1.61 -0.82 1.86 2.04 -1.00 -3.35 117.51 119.00 1h4r h ILE 210 Ca 0.32 -1.90 0.04 0.00 1.00 0.00 0.00 64.86 64.31 1h4r h ILE 210 Cb -0.12 2.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 1h4r h ILE 210 CO -0.07 0.50 0.54 0.00 0.00 0.00 0.00 178.15 179.12 1h4r h ALA 211 N 0.22 1.51 0.00 1.87 0.00 -0.94 -2.53 119.26 119.39 1h4r h ALA 211 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1h4r h ALA 211 Cb 0.87 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1h4r h ALA 211 CO 0.02 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1h4r n GLN 212 N -4.45 0.17 0.04 0.00 10.64 0.05 -1.42 117.38 122.41 1h4r n GLN 212 Ca 0.11 0.42 0.12 0.00 -1.83 0.00 0.00 57.00 55.82 1h4r n GLN 212 Cb 0.12 -1.84 0.27 0.00 -0.86 0.00 0.00 30.24 27.93 1h4r n GLN 212 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1h4r n ASP 213 N -2.17 0.55 -4.76 2.61 8.00 -0.95 -4.86 116.55 114.97 1h4r n ASP 213 Ca 0.02 0.08 -0.41 0.00 0.71 0.00 0.00 54.79 55.19 1h4r n ASP 213 Cb 0.21 0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1h4r n ASP 213 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1h4r s LEU 214 N -3.68 4.37 0.43 0.64 1.43 -0.51 -4.90 118.68 116.45 1h4r s LEU 214 Ca 0.09 2.85 0.14 0.00 -1.03 0.00 0.00 54.13 56.19 1h4r s LEU 214 Cb 0.15 -3.65 1.03 0.00 0.03 0.00 0.00 46.19 43.76 1h4r s LEU 214 CO 0.68 -0.76 1.95 -0.33 0.23 0.00 0.00 176.35 178.13 1h4r h GLU 215 N 3.94 0.41 -0.01 1.70 5.08 -1.88 -1.76 114.58 122.06 1h4r h GLU 215 Ca -0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1h4r h GLU 215 Cb 1.23 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1h4r h GLU 215 CO 0.71 0.27 -0.28 -1.33 -1.00 0.00 0.00 179.01 177.38 1h4r n MET 216 N -4.47 0.94 -1.70 2.33 2.81 -1.26 -4.90 117.12 110.86 1h4r n MET 216 Ca 0.12 -0.59 -0.42 0.00 -1.81 0.00 0.00 57.70 54.99 1h4r n MET 216 Cb 0.43 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.42 1h4r n MET 216 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1h4r n TYR 217 N -0.51 2.68 -1.06 2.03 4.19 -0.66 -2.44 117.16 121.38 1h4r n TYR 217 Ca 0.12 -0.04 -0.02 0.00 3.31 0.00 0.00 57.90 61.27 1h4r n TYR 217 Cb 0.37 -2.70 -0.01 0.00 0.49 0.00 0.00 39.34 37.49 1h4r n TYR 217 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1h4r n GLY 218 N 4.08 0.45 3.71 2.98 0.00 -1.26 -4.99 105.19 110.15 1h4r n GLY 218 Ca 0.17 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1h4r n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h4r s VAL 219 N -1.70 5.36 -0.34 1.61 1.01 -1.02 -4.50 120.40 120.82 1h4r s VAL 219 Ca 0.00 0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.12 1h4r s VAL 219 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1h4r s VAL 219 CO 0.00 0.39 0.46 0.20 0.00 0.00 0.00 175.10 176.15 1h4r s ASN 220 N 0.61 6.28 -0.10 3.32 0.01 -0.32 -4.93 114.94 119.81 1h4r s ASN 220 Ca 0.11 -0.05 -0.07 0.00 -0.71 0.00 0.00 52.86 52.14 1h4r s ASN 220 Cb -0.12 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 1h4r s ASN 220 CO 0.02 -0.41 0.16 -0.31 -1.51 0.00 0.00 177.10 175.04 1h4r s TYR 221 N 2.25 3.60 -0.01 2.20 1.51 -1.26 -0.92 117.35 124.72 1h4r s TYR 221 Ca 0.16 0.52 0.01 0.00 -1.01 0.00 0.00 57.07 56.75 1h4r s TYR 221 Cb -0.16 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 1h4r s TYR 221 CO 0.12 0.72 -0.03 -0.06 -1.11 0.00 0.00 175.55 175.19 1h4r s PHE 222 N -1.08 0.38 -0.02 2.71 0.08 0.18 -4.97 117.98 115.27 1h4r s PHE 222 Ca 0.17 -0.07 -0.30 0.00 0.12 0.00 0.00 56.93 56.86 1h4r s PHE 222 Cb -0.12 -0.30 -0.03 0.00 -0.57 0.00 0.00 43.02 42.00 1h4r s PHE 222 CO 0.07 -0.04 1.10 0.00 -0.10 0.00 0.00 175.22 176.24 1h4r s ALA 223 N 0.17 3.35 0.30 5.36 0.00 -1.26 -0.33 121.76 129.34 1h4r s ALA 223 Ca -0.01 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.59 1h4r s ALA 223 Cb -0.05 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1h4r s ALA 223 CO -0.00 -0.49 0.18 0.96 0.00 0.00 0.00 175.76 176.41 1h4r s ILE 224 N 1.51 0.21 -0.02 0.00 -4.36 -0.50 -4.79 121.20 113.26 1h4r s ILE 224 Ca 0.54 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.95 1h4r s ILE 224 Cb -0.24 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 40.98 1h4r s ILE 224 CO 0.25 0.00 -0.07 -0.13 0.24 0.00 0.00 174.94 175.23 1h4r s ARG 225 N -3.79 0.77 1.02 0.37 0.52 -0.78 -1.08 118.95 115.98 1h4r s ARG 225 Ca 0.37 -0.25 -0.17 0.00 -0.52 0.00 0.00 55.73 55.16 1h4r s ARG 225 Cb 0.05 -0.74 0.23 0.00 0.52 0.00 0.00 34.95 35.01 1h4r s ARG 225 CO 0.19 0.10 1.33 0.54 0.02 0.00 0.00 175.30 177.47 1h4r s ASN 226 N 0.17 2.57 0.60 0.23 2.20 -0.66 -0.64 114.94 119.41 1h4r s ASN 226 Ca -0.02 0.20 0.37 0.00 -0.94 0.00 0.00 52.86 52.47 1h4r s ASN 226 Cb -0.07 -0.17 1.85 0.00 -2.00 0.00 0.00 41.25 40.86 1h4r s ASN 226 CO 0.00 -3.07 2.17 0.11 -2.94 0.00 0.00 177.10 173.38 1h4r h LYS 227 N -1.87 0.00 -0.06 3.55 1.79 -1.92 -0.08 116.57 117.98 1h4r h LYS 227 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1h4r h LYS 227 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1h4r h LYS 227 CO 0.32 0.02 0.00 1.63 -1.08 0.00 0.00 179.45 180.34 1h4r n LYS 228 N -3.19 1.50 -0.72 3.15 5.02 -1.26 -4.92 118.16 117.74 1h4r n LYS 228 Ca -0.01 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 1h4r n LYS 228 Cb 0.19 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1h4r n LYS 228 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h4r n GLY 229 N 1.09 0.66 3.73 0.72 0.00 -0.04 -5.03 105.19 106.31 1h4r n GLY 229 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1h4r n GLY 229 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h4r s THR 230 N -2.11 4.09 -0.03 2.61 2.01 -1.26 -4.77 115.64 116.18 1h4r s THR 230 Ca 0.00 1.65 -0.30 0.00 0.31 0.00 0.00 61.69 63.35 1h4r s THR 230 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1h4r s THR 230 CO 0.00 0.21 1.24 -1.61 -0.69 0.00 0.00 174.62 173.77 1h4r s GLU 231 N 0.29 4.35 0.31 4.92 0.41 -1.26 -1.66 118.70 126.06 1h4r s GLU 231 Ca 0.53 1.74 0.05 0.00 -0.41 0.00 0.00 54.97 56.88 1h4r s GLU 231 Cb -0.28 -3.53 -0.03 0.00 -1.78 0.00 0.00 34.13 28.50 1h4r s GLU 231 CO 0.32 -0.45 0.24 -0.51 -0.49 0.00 0.00 175.26 174.37 1h4r s LEU 232 N 2.11 1.66 -0.06 1.80 1.43 -0.24 -4.45 118.68 120.93 1h4r s LEU 232 Ca 0.58 -1.68 0.06 0.00 -1.03 0.00 0.00 54.13 52.05 1h4r s LEU 232 Cb -0.27 0.46 -0.01 0.00 0.03 0.00 0.00 46.19 46.41 1h4r s LEU 232 CO 0.24 -1.01 -0.25 -0.76 0.23 0.00 0.00 176.35 174.80 1h4r s LEU 233 N -3.35 2.06 -0.14 1.79 1.43 -0.28 -1.42 118.68 118.78 1h4r s LEU 233 Ca 0.39 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.81 1h4r s LEU 233 Cb 0.03 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 1h4r s LEU 233 CO 0.24 0.23 0.44 -0.22 0.23 0.00 0.00 176.35 177.27 1h4r s LEU 234 N -0.10 4.25 -0.16 1.79 2.96 0.55 -0.59 118.68 127.37 1h4r s LEU 234 Ca -0.05 0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 54.56 1h4r s LEU 234 Cb -0.14 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 1h4r s LEU 234 CO 0.04 0.00 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.16 1h4r s GLY 235 N 0.66 1.61 -0.16 7.98 0.00 -0.01 -0.64 107.32 116.75 1h4r s GLY 235 Ca 0.23 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 44.00 1h4r s GLY 235 CO 0.09 0.01 -0.12 0.14 0.00 0.00 0.00 173.10 173.22 1h4r s VAL 236 N 0.65 2.92 0.18 1.40 1.01 -0.10 -0.97 120.40 125.49 1h4r s VAL 236 Ca -0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1h4r s VAL 236 Cb -0.15 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1h4r s VAL 236 CO 0.02 0.50 0.25 -0.90 0.00 0.00 0.00 175.10 174.97 1h4r n ASP 237 N 4.09 -0.68 0.27 3.32 5.68 -0.85 -1.18 116.55 127.21 1h4r n ASP 237 Ca -0.19 -1.99 0.16 0.00 -0.50 0.00 0.00 54.79 52.27 1h4r n ASP 237 Cb 0.52 1.28 0.70 0.00 -1.14 0.00 0.00 41.12 42.48 1h4r n ASP 237 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h4r h ALA 238 N 1.73 1.05 0.02 2.12 0.00 -1.85 -3.05 119.26 119.27 1h4r h ALA 238 Ca -0.14 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.42 1h4r h ALA 238 Cb 0.62 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1h4r h ALA 238 CO 0.19 0.09 -1.60 -0.07 0.00 0.00 0.00 179.25 177.86 1h4r h LEU 239 N 0.00 0.06 0.00 0.00 3.38 -1.95 -3.42 115.31 113.38 1h4r h LEU 239 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1h4r h LEU 239 Cb 0.48 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1h4r h LEU 239 CO 0.01 1.09 0.00 0.61 0.09 0.00 0.00 178.44 180.24 1h4r n GLY 240 N 1.56 -0.56 3.56 0.83 0.00 -1.16 -2.37 105.19 107.05 1h4r n GLY 240 Ca -0.15 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1h4r n GLY 240 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h4r s LEU 241 N 0.00 3.06 0.01 0.99 1.43 -0.54 -2.01 118.68 121.61 1h4r s LEU 241 Ca 0.00 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1h4r s LEU 241 Cb 0.00 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 1h4r s LEU 241 CO 0.00 0.35 -0.03 -1.00 0.23 0.00 0.00 176.35 175.90 1h4r s HIS 242 N -0.82 0.22 -0.23 0.29 3.76 -0.14 -0.19 115.29 118.18 1h4r s HIS 242 Ca 0.13 -0.19 -0.06 0.00 -0.15 0.00 0.00 55.06 54.79 1h4r s HIS 242 Cb -0.11 -0.15 -0.02 0.00 1.11 0.00 0.00 32.58 33.41 1h4r s HIS 242 CO 0.02 -0.05 0.03 0.42 -0.85 0.00 0.00 174.74 174.31 1h4r s ILE 243 N -0.50 4.04 0.08 0.60 -1.09 0.59 -0.83 121.20 124.09 1h4r s ILE 243 Ca -0.04 -0.27 0.06 0.00 -2.23 0.00 0.00 60.65 58.17 1h4r s ILE 243 Cb -0.04 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 1h4r s ILE 243 CO -0.00 0.38 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.68 1h4r s TYR 244 N 1.42 2.75 0.29 3.97 1.51 0.24 -0.45 117.35 127.08 1h4r s TYR 244 Ca 0.05 -0.14 -0.29 0.00 -1.01 0.00 0.00 57.07 55.68 1h4r s TYR 244 Cb -0.15 -1.47 -0.10 0.00 -0.11 0.00 0.00 41.96 40.14 1h4r s TYR 244 CO 0.02 0.40 1.16 -0.51 -1.11 0.00 0.00 175.55 175.51 1h4r s ASP 245 N -2.00 7.13 0.55 2.29 1.01 -1.26 -1.13 116.67 123.26 1h4r s ASP 245 Ca 0.20 2.38 0.26 0.00 0.71 0.00 0.00 52.55 56.10 1h4r s ASP 245 Cb -0.11 -2.63 1.44 0.00 1.01 0.00 0.00 42.92 42.63 1h4r s ASP 245 CO 0.12 -0.26 1.99 -0.65 0.21 0.00 0.00 175.17 176.58 1h4r h PRO 246 N 3.79 0.00 -0.01 8.23 0.11 -1.89 -0.83 132.00 141.41 1h4r h PRO 246 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h4r h PRO 246 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1h4r h PRO 246 CO 0.67 0.00 -0.05 0.39 -0.21 0.00 0.00 178.00 178.80 1h4r n GLU 247 N -4.21 1.14 -3.47 1.05 4.71 -1.26 -4.58 120.64 114.01 1h4r n GLU 247 Ca 0.09 -0.45 -0.29 0.00 -0.01 0.00 0.00 57.16 56.49 1h4r n GLU 247 Cb 0.59 -1.49 -0.13 0.00 -1.01 0.00 0.00 31.44 29.40 1h4r n GLU 247 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1h4r s ASN 248 N -2.18 3.06 0.00 1.62 3.84 -0.32 -4.95 114.94 116.01 1h4r s ASN 248 Ca 0.37 -2.02 0.29 0.00 0.21 0.00 0.00 52.86 51.71 1h4r s ASN 248 Cb 0.21 -0.38 1.30 0.00 -0.55 0.00 0.00 41.25 41.83 1h4r s ASN 248 CO 0.40 -0.33 1.89 0.54 -2.79 0.00 0.00 177.10 176.80 1h4r n ARG 249 N 4.26 1.32 0.03 0.43 1.74 -1.26 -4.19 116.66 118.99 1h4r n ARG 249 Ca 0.09 -0.58 -0.21 0.00 -0.77 0.00 0.00 57.85 56.37 1h4r n ARG 249 Cb 0.38 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.19 1h4r n ARG 249 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1h4r h LEU 250 N 1.42 0.43 -7.54 0.55 4.07 -1.92 -3.43 115.31 108.88 1h4r h LEU 250 Ca 0.00 -0.88 -0.55 0.00 0.08 0.00 0.00 57.88 56.53 1h4r h LEU 250 Cb 0.34 -0.14 -0.38 0.00 1.08 0.00 0.00 40.66 41.56 1h4r h LEU 250 CO 0.00 1.59 -0.78 -0.89 -1.08 0.00 0.00 178.44 177.28 1h4r s THR 251 N -2.48 1.02 0.47 0.22 2.01 -1.26 -4.80 115.64 110.83 1h4r s THR 251 Ca -0.18 -0.67 -0.21 0.00 0.31 0.00 0.00 61.69 60.94 1h4r s THR 251 Cb 0.04 -1.28 -0.09 0.00 0.01 0.00 0.00 72.50 71.18 1h4r s THR 251 CO 0.79 0.03 1.02 -2.16 -0.69 0.00 0.00 174.62 173.62 1h4r s PRO 252 N 1.66 3.89 0.10 4.92 0.04 -1.26 -4.77 135.00 139.58 1h4r s PRO 252 Ca -0.00 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.38 1h4r s PRO 252 Cb -0.16 -2.12 -0.23 0.00 0.04 0.00 0.00 34.50 32.03 1h4r s PRO 252 CO -0.07 -0.35 1.23 0.87 0.04 0.00 0.00 177.00 178.71 1h4r h LYS 253 N 1.65 0.12 -4.43 4.56 1.79 -1.13 -3.46 116.57 115.68 1h4r h LYS 253 Ca -0.49 -0.20 -0.35 0.00 -2.18 0.00 0.00 60.65 57.42 1h4r h LYS 253 Cb 1.21 0.08 -0.29 0.00 -1.58 0.00 0.00 32.23 31.65 1h4r h LYS 253 CO 0.59 1.09 -0.76 0.42 -1.08 0.00 0.00 179.45 179.71 1h4r s ILE 254 N -2.72 0.52 0.00 1.86 1.01 -1.15 -5.00 121.20 115.73 1h4r s ILE 254 Ca -0.01 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.41 1h4r s ILE 254 Cb 0.09 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 42.10 1h4r s ILE 254 CO 0.85 0.15 -0.14 -0.44 0.00 0.00 0.00 174.94 175.36 1h4r s SER 255 N -0.07 1.61 -0.38 3.58 0.01 -1.26 -0.30 113.70 116.89 1h4r s SER 255 Ca 0.01 -0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.01 1h4r s SER 255 Cb -0.04 -0.16 0.11 0.00 0.21 0.00 0.00 66.02 66.14 1h4r s SER 255 CO -0.00 0.13 0.11 -0.36 0.41 0.00 0.00 173.24 173.53 1h4r s PHE 256 N -0.45 3.21 0.46 2.43 0.08 0.73 -4.99 117.98 119.45 1h4r s PHE 256 Ca 0.04 -2.80 -0.24 0.00 0.12 0.00 0.00 56.93 54.05 1h4r s PHE 256 Cb -0.06 -2.65 -0.09 0.00 -0.57 0.00 0.00 43.02 39.66 1h4r s PHE 256 CO -0.00 -0.89 1.22 -2.30 -0.10 0.00 0.00 175.22 173.15 1h4r n PRO 257 N 4.08 1.71 -0.24 0.24 -0.02 -1.26 -1.47 135.00 138.03 1h4r n PRO 257 Ca 0.04 0.62 0.05 0.00 -2.02 0.00 0.00 63.50 62.18 1h4r n PRO 257 Cb 0.40 -2.35 0.29 0.00 -0.02 0.00 0.00 33.50 31.82 1h4r n PRO 257 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1h4r h TRP 258 N 1.74 0.91 -0.05 6.00 4.06 -1.83 -0.96 115.95 125.83 1h4r h TRP 258 Ca -0.48 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.49 1h4r h TRP 258 Cb 1.31 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 1h4r h TRP 258 CO 0.46 0.48 0.00 0.27 -3.56 0.00 0.00 178.44 176.09 1h4r n ASN 259 N -4.48 0.30 -0.03 -3.49 6.94 -1.26 -2.85 115.26 110.39 1h4r n ASN 259 Ca 0.12 -1.79 0.03 0.00 -0.02 0.00 0.00 54.58 52.92 1h4r n ASN 259 Cb 0.21 -0.03 0.04 0.00 -2.36 0.00 0.00 39.78 37.64 1h4r n ASN 259 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1h4r n GLU 260 N -0.44 2.52 -4.12 -3.83 1.02 -0.37 -4.96 120.64 110.46 1h4r n GLU 260 Ca 0.07 -1.81 -0.34 0.00 -0.02 0.00 0.00 57.16 55.06 1h4r n GLU 260 Cb 0.07 -1.14 -0.14 0.00 -0.02 0.00 0.00 31.44 30.21 1h4r n GLU 260 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1h4r s ILE 261 N -1.53 3.14 -0.05 -3.67 1.01 -1.13 -0.99 121.20 117.97 1h4r s ILE 261 Ca 0.09 -0.59 -0.22 0.00 0.00 0.00 0.00 60.65 59.93 1h4r s ILE 261 Cb 0.08 -2.39 -0.30 0.00 0.01 0.00 0.00 42.46 39.86 1h4r s ILE 261 CO 0.01 0.46 0.92 -0.09 0.00 0.00 0.00 174.94 176.24 1h4r h ARG 262 N 7.77 0.29 -2.78 2.79 2.43 0.88 -3.45 114.38 122.32 1h4r h ARG 262 Ca -0.39 -0.45 -0.10 0.00 -0.81 0.00 0.00 59.98 58.23 1h4r h ARG 262 Cb 1.17 0.16 -0.20 0.00 -0.42 0.00 0.00 29.97 30.68 1h4r h ARG 262 CO 0.60 1.19 -0.16 1.21 -1.51 0.00 0.00 179.97 181.30 1h4r s ASN 263 N -6.85 -0.31 -0.21 -3.80 3.84 -1.17 -5.01 114.94 101.43 1h4r s ASN 263 Ca -0.14 0.24 -0.02 0.00 0.21 0.00 0.00 52.86 53.15 1h4r s ASN 263 Cb 0.01 0.37 0.06 0.00 -0.55 0.00 0.00 41.25 41.14 1h4r s ASN 263 CO 0.82 -0.49 0.03 -0.51 -2.79 0.00 0.00 177.10 174.16 1h4r s ILE 264 N -1.29 0.65 0.31 -5.21 1.10 -1.26 -1.13 121.20 114.38 1h4r s ILE 264 Ca -0.13 -0.72 0.10 0.00 -0.51 0.00 0.00 60.65 59.39 1h4r s ILE 264 Cb -0.04 -1.18 -0.06 0.00 0.15 0.00 0.00 42.46 41.33 1h4r s ILE 264 CO 0.06 -0.26 -0.13 -0.94 -2.11 0.00 0.00 174.94 171.56 1h4r s SER 265 N 1.79 3.56 -0.03 4.50 1.04 -0.94 -4.97 113.70 118.65 1h4r s SER 265 Ca -0.00 -1.13 -0.02 0.00 0.48 0.00 0.00 55.95 55.28 1h4r s SER 265 Cb -0.17 -0.31 0.02 0.00 0.10 0.00 0.00 66.02 65.65 1h4r s SER 265 CO -0.10 -0.13 0.07 -0.47 0.98 0.00 0.00 173.24 173.60 1h4r s TYR 266 N -2.62 -0.07 -0.26 5.02 5.04 -1.26 -1.01 117.35 122.18 1h4r s TYR 266 Ca 0.31 0.22 -0.02 0.00 -2.44 0.00 0.00 57.07 55.14 1h4r s TYR 266 Cb -0.00 -0.04 0.15 0.00 0.35 0.00 0.00 41.96 42.42 1h4r s TYR 266 CO 0.15 -0.07 0.46 -1.54 -1.34 0.00 0.00 175.55 173.21 1h4r s SER 267 N 0.43 -0.34 0.60 4.32 1.04 -0.61 -5.01 113.70 114.13 1h4r s SER 267 Ca -0.03 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1h4r s SER 267 Cb -0.05 1.49 0.00 0.00 0.10 0.00 0.00 66.02 67.56 1h4r s SER 267 CO -0.02 -0.29 0.00 0.47 0.98 0.00 0.00 173.24 174.39 1h4r n ASP 268 N 5.39 0.00 -0.65 7.02 8.00 -1.26 -2.70 116.55 132.35 1h4r n ASP 268 Ca -0.03 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.50 1h4r n ASP 268 Cb 0.50 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.70 1h4r n ASP 268 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1h4r n LYS 269 N 11.62 1.77 -5.03 -1.24 2.85 -1.26 -4.87 118.16 122.00 1h4r n LYS 269 Ca 0.00 -0.76 -0.32 0.00 -1.05 0.00 0.00 58.31 56.18 1h4r n LYS 269 Cb 0.00 -1.47 -0.16 0.00 -0.65 0.00 0.00 35.03 32.75 1h4r n LYS 269 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1h4r s GLU 270 N -1.58 3.12 0.05 -1.58 2.12 -1.10 -0.49 118.70 119.25 1h4r s GLU 270 Ca 0.14 -0.83 0.02 0.00 0.36 0.00 0.00 54.97 54.65 1h4r s GLU 270 Cb 0.09 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 1h4r s GLU 270 CO 0.06 0.16 0.10 -0.06 -0.54 0.00 0.00 175.26 174.98 1h4r s PHE 271 N 0.42 3.27 -0.09 5.30 0.08 0.10 -1.57 117.98 125.50 1h4r s PHE 271 Ca -0.15 0.14 -0.01 0.00 0.12 0.00 0.00 56.93 57.03 1h4r s PHE 271 Cb -0.17 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.63 1h4r s PHE 271 CO 0.07 0.54 -0.04 0.99 -0.10 0.00 0.00 175.22 176.68 1h4r s THR 272 N -1.36 0.69 -0.28 0.64 2.01 -0.18 -2.15 115.64 115.00 1h4r s THR 272 Ca 0.29 -0.08 -0.14 0.00 0.31 0.00 0.00 61.69 62.07 1h4r s THR 272 Cb -0.12 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 1h4r s THR 272 CO 0.21 0.31 0.31 -0.63 -0.69 0.00 0.00 174.62 174.13 1h4r s ILE 273 N 1.82 5.22 -0.41 1.82 1.01 0.39 -2.21 121.20 128.84 1h4r s ILE 273 Ca 0.05 0.39 -0.09 0.00 0.00 0.00 0.00 60.65 60.99 1h4r s ILE 273 Cb -0.12 -3.66 0.07 0.00 0.01 0.00 0.00 42.46 38.76 1h4r s ILE 273 CO -0.06 0.16 0.25 -0.54 0.00 0.00 0.00 174.94 174.74 1h4r s LYS 274 N 1.97 2.63 0.53 2.79 1.02 -0.28 -0.80 119.74 127.59 1h4r s LYS 274 Ca 0.12 -1.41 -0.22 0.00 0.02 0.00 0.00 55.97 54.49 1h4r s LYS 274 Cb -0.16 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.34 1h4r s LYS 274 CO 0.10 -0.91 1.31 -2.14 -0.92 0.00 0.00 175.35 172.79 1h4r s PRO 275 N 1.44 3.27 0.17 -1.68 0.02 -1.26 0.13 135.00 137.08 1h4r s PRO 275 Ca 0.03 2.12 -0.10 0.00 0.02 0.00 0.00 61.00 63.07 1h4r s PRO 275 Cb -0.22 -2.28 0.04 0.00 0.02 0.00 0.00 34.50 32.06 1h4r s PRO 275 CO 0.03 -1.05 1.62 -0.07 -0.33 0.00 0.00 177.00 177.19 1h4r h LEU 276 N 1.57 0.98 -8.76 -5.54 3.38 -1.37 -3.41 115.31 102.17 1h4r h LEU 276 Ca -0.51 -0.31 -0.56 0.00 0.09 0.00 0.00 57.88 56.59 1h4r h LEU 276 Cb 1.29 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 1h4r h LEU 276 CO 0.58 1.05 1.02 -0.62 0.09 0.00 0.00 178.44 180.57 1h4r s ASP 277 N -6.50 6.43 0.26 -0.43 -1.08 -1.26 -4.88 116.67 109.20 1h4r s ASP 277 Ca -0.12 0.67 0.21 0.00 -0.52 0.00 0.00 52.55 52.79 1h4r s ASP 277 Cb 0.13 -2.54 0.99 0.00 -1.46 0.00 0.00 42.92 40.03 1h4r s ASP 277 CO 0.85 -1.39 1.63 2.29 0.52 0.00 0.00 175.17 179.07 1h4r n LYS 278 N 8.03 0.15 0.26 4.34 2.85 -1.26 -1.52 118.16 131.00 1h4r n LYS 278 Ca 0.15 0.52 0.15 0.00 -1.05 0.00 0.00 58.31 58.07 1h4r n LYS 278 Cb 0.48 -1.87 0.58 0.00 -0.65 0.00 0.00 35.03 33.57 1h4r n LYS 278 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1h4r h LYS 279 N 0.00 0.00 -5.45 -1.58 1.57 -1.94 -3.42 116.57 105.75 1h4r h LYS 279 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1h4r h LYS 279 Cb 0.17 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.38 1h4r h LYS 279 CO 0.00 0.06 -0.31 0.42 -0.57 0.00 0.00 179.45 179.05 1h4r s ILE 280 N -3.62 5.29 0.72 1.86 1.01 -0.58 -5.08 121.20 120.80 1h4r s ILE 280 Ca 0.01 0.56 -0.12 0.00 0.00 0.00 0.00 60.65 61.10 1h4r s ILE 280 Cb 0.09 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.95 1h4r s ILE 280 CO 0.58 0.36 1.10 -1.81 0.00 0.00 0.00 174.94 175.17 1h4r s ASP 281 N 0.64 4.74 0.48 3.58 1.01 -1.26 -4.66 116.67 121.21 1h4r s ASP 281 Ca 0.16 1.91 -0.23 0.00 0.71 0.00 0.00 52.55 55.10 1h4r s ASP 281 Cb -0.13 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.19 1h4r s ASP 281 CO 0.05 -1.87 1.31 0.68 0.21 0.00 0.00 175.17 175.54 1h4r s VAL 282 N -2.65 2.44 -0.28 -1.27 -7.23 -1.26 -4.71 120.40 105.44 1h4r s VAL 282 Ca 0.64 0.35 -0.09 0.00 -1.81 0.00 0.00 61.98 61.08 1h4r s VAL 282 Cb -0.19 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.54 1h4r s VAL 282 CO 0.50 0.02 0.11 0.12 -0.31 0.00 0.00 175.10 175.54 1h4r s PHE 283 N -1.34 3.14 0.02 2.82 2.19 0.02 -4.94 117.98 119.89 1h4r s PHE 283 Ca 0.65 -0.43 0.04 0.00 0.33 0.00 0.00 56.93 57.53 1h4r s PHE 283 Cb -0.37 -2.30 -0.03 0.00 -1.31 0.00 0.00 43.02 39.00 1h4r s PHE 283 CO 0.46 -0.38 -0.10 0.15 1.83 0.00 0.00 175.22 177.19 1h4r s LYS 284 N 1.63 2.41 0.13 10.12 1.02 -1.26 -0.46 119.74 133.33 1h4r s LYS 284 Ca 0.06 -0.80 -0.15 0.00 0.02 0.00 0.00 55.97 55.10 1h4r s LYS 284 Cb -0.16 -2.41 0.03 0.00 -0.52 0.00 0.00 37.83 34.76 1h4r s LYS 284 CO 0.05 0.58 0.37 -0.59 -0.92 0.00 0.00 175.35 174.85 1h4r s PHE 285 N -0.99 -0.11 0.06 3.18 -0.12 -0.92 -3.99 117.98 115.10 1h4r s PHE 285 Ca 0.17 -0.23 0.05 0.00 -0.05 0.00 0.00 56.93 56.87 1h4r s PHE 285 Cb -0.11 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 1h4r s PHE 285 CO 0.07 -0.70 -0.09 -0.80 -0.05 0.00 0.00 175.22 173.65 1h4r s ASN 286 N -2.83 4.47 -0.05 1.98 0.02 0.19 -0.72 114.94 117.99 1h4r s ASN 286 Ca 0.05 -0.28 -0.02 0.00 -1.02 0.00 0.00 52.86 51.58 1h4r s ASN 286 Cb 0.02 -0.93 0.04 0.00 0.02 0.00 0.00 41.25 40.39 1h4r s ASN 286 CO -0.10 0.23 0.09 -0.55 0.02 0.00 0.00 177.10 176.79 1h4r s SER 287 N -1.82 0.99 0.20 -1.22 0.15 0.35 -1.86 113.70 110.49 1h4r s SER 287 Ca 0.19 0.16 -0.06 0.00 0.70 0.00 0.00 55.95 56.94 1h4r s SER 287 Cb -0.11 -0.00 0.13 0.00 -1.71 0.00 0.00 66.02 64.32 1h4r s SER 287 CO 0.11 -0.25 1.61 -1.28 1.20 0.00 0.00 173.24 174.64 1h4r h SER 288 N 8.39 0.89 -3.50 5.45 0.87 -1.86 -3.43 113.55 120.37 1h4r h SER 288 Ca -0.13 -0.31 -0.61 0.00 -1.23 0.00 0.00 61.79 59.51 1h4r h SER 288 Cb 1.12 -0.24 -0.11 0.00 -0.44 0.00 0.00 62.40 62.72 1h4r h SER 288 CO 0.15 1.06 0.02 -0.54 -0.53 0.00 0.00 176.83 176.99 1h4r s LYS 289 N -4.70 4.14 0.21 2.24 1.02 -1.26 -4.95 119.74 116.43 1h4r s LYS 289 Ca -0.10 0.43 -0.09 0.00 0.02 0.00 0.00 55.97 56.22 1h4r s LYS 289 Cb 0.13 -3.61 0.25 0.00 -0.52 0.00 0.00 37.83 34.08 1h4r s LYS 289 CO 0.85 -0.27 1.79 1.25 -0.92 0.00 0.00 175.35 178.05 1h4r h LEU 290 N 8.42 0.48 -1.46 3.17 5.85 -1.98 0.39 115.31 130.18 1h4r h LEU 290 Ca -0.31 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.40 1h4r h LEU 290 Cb 1.14 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1h4r h LEU 290 CO 0.74 0.30 -0.28 0.08 -0.34 0.00 0.00 178.44 178.95 1h4r h ARG 291 N 0.62 0.00 0.03 1.25 0.11 -1.99 -0.53 114.38 113.86 1h4r h ARG 291 Ca 0.30 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.19 1h4r h ARG 291 Cb 0.23 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.33 1h4r h ARG 291 CO -0.21 0.28 -0.77 0.28 0.10 0.00 0.00 179.97 179.65 1h4r h VAL 292 N 0.00 1.40 -0.62 0.08 2.07 -1.72 -2.90 116.25 114.55 1h4r h VAL 292 Ca -0.00 -2.20 -0.01 0.00 0.82 0.00 0.00 66.70 65.31 1h4r h VAL 292 Cb 0.50 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 1h4r h VAL 292 CO 0.04 0.65 0.33 0.78 0.02 0.00 0.00 177.57 179.39 1h4r h ASN 293 N -0.01 0.76 -0.69 0.57 2.35 -0.32 1.00 115.58 119.25 1h4r h ASN 293 Ca -0.10 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 1h4r h ASN 293 Cb 1.48 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.63 1h4r h ASN 293 CO 0.15 0.62 0.28 0.11 -1.65 0.00 0.00 177.43 176.94 1h4r h LYS 294 N 0.86 1.02 -0.50 0.81 1.57 -1.13 -1.84 116.57 117.35 1h4r h LYS 294 Ca 0.22 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1h4r h LYS 294 Cb 0.03 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1h4r h LYS 294 CO -0.04 0.84 0.05 1.25 -0.57 0.00 0.00 179.45 180.98 1h4r h LEU 295 N 0.97 0.82 -0.54 2.94 6.46 -1.03 -1.96 115.31 122.97 1h4r h LEU 295 Ca 0.23 -0.28 0.06 0.00 -0.12 0.00 0.00 57.88 57.77 1h4r h LEU 295 Cb 0.19 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 39.85 1h4r h LEU 295 CO -0.02 0.90 0.25 0.40 -0.62 0.00 0.00 178.44 179.35 1h4r h ILE 296 N 0.72 0.90 -0.49 4.05 2.04 -0.56 -0.84 117.51 123.34 1h4r h ILE 296 Ca 0.15 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1h4r h ILE 296 Cb 0.44 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1h4r h ILE 296 CO 0.02 0.09 0.25 -0.07 0.00 0.00 0.00 178.15 178.43 1h4r h LEU 297 N 0.48 0.63 -0.22 1.44 3.38 -1.14 0.36 115.31 120.23 1h4r h LEU 297 Ca 0.25 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1h4r h LEU 297 Cb 0.21 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1h4r h LEU 297 CO -0.20 0.57 -0.11 1.56 0.09 0.00 0.00 178.44 180.34 1h4r h GLN 298 N 0.65 -0.08 -0.25 1.13 4.20 -0.79 -1.69 115.11 118.27 1h4r h GLN 298 Ca 0.17 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.79 1h4r h GLN 298 Cb 0.09 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1h4r h GLN 298 CO -0.02 -0.05 -0.26 -0.07 -0.67 0.00 0.00 178.83 177.75 1h4r h LEU 299 N -0.08 0.50 -0.08 1.46 3.38 -0.84 -2.25 115.31 117.40 1h4r h LEU 299 Ca 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1h4r h LEU 299 Cb 0.26 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1h4r h LEU 299 CO -0.28 0.75 -0.01 0.00 0.09 0.00 0.00 178.44 178.99 1h4r h ILE 301 N -0.17 1.00 -0.27 0.00 2.04 -1.28 -0.64 117.51 118.19 1h4r h ILE 301 Ca 0.02 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1h4r h ILE 301 Cb 0.39 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1h4r h ILE 301 CO 0.01 0.05 -0.02 1.23 0.00 0.00 0.00 178.15 179.41 1h4r h GLY 302 N 0.27 0.53 1.02 5.37 0.00 -1.44 -1.93 103.07 106.90 1h4r h GLY 302 Ca 0.10 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1h4r h GLY 302 CO -0.06 0.38 0.13 3.43 0.00 0.00 0.00 176.54 180.41 1h4r h ASN 303 N 0.26 0.92 -0.41 0.19 2.35 -1.26 -1.85 115.58 115.78 1h4r h ASN 303 Ca 0.07 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1h4r h ASN 303 Cb 0.47 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1h4r h ASN 303 CO 0.02 0.93 0.24 -0.74 -1.65 0.00 0.00 177.43 176.22 1h4r h HIS 304 N 0.87 0.44 0.07 1.19 2.76 -1.00 -1.33 115.15 118.16 1h4r h HIS 304 Ca 0.18 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.39 1h4r h HIS 304 Cb 0.38 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.16 1h4r h HIS 304 CO 0.03 0.25 -0.29 0.22 -1.30 0.00 0.00 177.93 176.84 1h4r h ASP 305 N 0.48 -0.83 0.00 3.26 3.58 -1.13 -2.68 116.42 119.10 1h4r h ASP 305 Ca 0.17 0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.65 1h4r h ASP 305 Cb 0.02 0.32 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1h4r h ASP 305 CO -0.08 -0.37 -0.18 -0.07 -2.88 0.00 0.00 179.24 175.66 1h4r h LEU 306 N -0.47 0.32 -0.74 2.28 3.38 -1.19 -1.48 115.31 117.40 1h4r h LEU 306 Ca 0.04 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1h4r h LEU 306 Cb 0.53 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1h4r h LEU 306 CO -0.20 0.52 0.44 0.15 0.09 0.00 0.00 178.44 179.45 1h4r h PHE 307 N 0.31 0.82 -0.15 1.13 3.04 -0.98 0.93 116.94 122.04 1h4r h PHE 307 Ca 0.06 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.87 1h4r h PHE 307 Cb 0.50 -0.26 0.01 0.00 2.56 0.00 0.00 35.95 38.76 1h4r h PHE 307 CO 0.01 0.43 -0.54 0.52 -2.02 0.00 0.00 178.31 176.71 1h4r h MET 308 N 0.83 0.64 -0.82 1.11 0.00 -1.12 -3.02 114.93 112.55 1h4r h MET 308 Ca 0.31 -0.48 -0.01 0.00 0.00 0.00 0.00 59.70 59.53 1h4r h MET 308 Cb 0.12 0.09 -0.04 0.00 0.00 0.00 0.00 31.60 31.77 1h4r h MET 308 CO -0.15 1.10 0.49 0.00 0.00 0.00 0.00 176.91 178.35 1h4r h ARG 309 N 0.30 1.12 0.00 1.72 3.08 -0.71 -0.12 114.38 119.77 1h4r h ARG 309 Ca -0.02 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1h4r h ARG 309 Cb 1.17 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1h4r h ARG 309 CO 0.11 0.79 0.00 -2.13 -1.07 0.00 0.00 179.97 177.68 1h4r n ARG 310 N -4.44 0.23 -0.05 0.04 0.63 0.27 -3.75 116.66 109.59 1h4r n ARG 310 Ca 0.08 0.35 -0.21 0.00 -0.92 0.00 0.00 57.85 57.14 1h4r n ARG 310 Cb 0.06 -1.86 -0.13 0.00 0.45 0.00 0.00 32.46 30.99 1h4r n ARG 310 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1h4r n ARG 311 N -2.27 0.69 -3.73 -0.14 0.63 -0.14 -5.06 116.66 106.64 1h4r n ARG 311 Ca 0.03 0.29 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 1h4r n ARG 311 Cb 0.31 -1.66 0.00 0.00 0.45 0.00 0.00 32.46 31.56 1h4r n ARG 311 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1h4r n LYS 312 N -3.65 -1.95 0.00 -0.14 3.00 -0.68 -5.11 118.16 109.63 1h4r n LYS 312 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.94 1h4r n LYS 312 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.99 1h4r n LYS 312 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40