#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r n LYS 2 N 0.00 0.00 -0.15 0.00 3.00 -1.26 -2.95 118.16 116.81 3i1r n LYS 2 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 3i1r n LYS 2 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.08 3i1r n LYS 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3i1r h LEU 3 N 0.00 0.12 -0.55 3.14 -0.00 -1.97 1.52 115.31 117.57 3i1r h LEU 3 Ca 0.00 0.06 0.11 0.00 -0.00 0.00 0.00 57.88 58.05 3i1r h LEU 3 Cb 0.00 0.06 -0.10 0.00 -0.00 0.00 0.00 40.66 40.62 3i1r h LEU 3 CO 0.00 0.10 -0.07 -0.74 -0.00 0.00 0.00 178.44 177.73 3i1r h HIS 4 N 0.30 -0.17 -0.40 1.13 2.76 -1.87 0.46 115.15 117.36 3i1r h HIS 4 Ca 0.22 0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.37 3i1r h HIS 4 Cb 0.25 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 3i1r h HIS 4 CO -0.17 -0.19 -0.02 -0.44 -1.30 0.00 0.00 177.93 175.81 3i1r h ASP 5 N 0.05 0.70 -0.40 3.26 3.45 -1.18 -2.19 116.42 120.11 3i1r h ASP 5 Ca 0.27 -0.32 0.08 0.00 0.43 0.00 0.00 57.03 57.50 3i1r h ASP 5 Cb 0.43 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 3i1r h ASP 5 CO -0.52 0.85 0.28 0.22 -1.57 0.00 0.00 179.24 178.50 3i1r h TYR 6 N 0.54 0.19 -0.44 4.55 3.20 0.32 -2.41 116.97 122.91 3i1r h TYR 6 Ca 0.11 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3i1r h TYR 6 Cb 0.50 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 3i1r h TYR 6 CO 0.04 0.09 0.23 -0.92 -1.64 0.00 0.00 178.16 175.96 3i1r h TYR 7 N 0.18 0.61 0.00 -3.82 5.03 0.52 -3.36 116.97 116.13 3i1r h TYR 7 Ca 0.19 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.48 3i1r h TYR 7 Cb 0.50 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.59 3i1r h TYR 7 CO -0.00 0.48 0.00 1.63 -1.32 0.00 0.00 178.16 178.95 3i1r n LYS 8 N -4.69 0.00 -1.53 1.82 4.76 -0.92 -2.01 118.16 115.59 3i1r n LYS 8 Ca 0.01 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.04 3i1r n LYS 8 Cb 0.09 -0.31 -0.05 0.00 -1.84 0.00 0.00 35.03 32.92 3i1r n LYS 8 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3i1r n ASP 9 N 0.00 2.28 0.00 4.39 5.68 -1.17 -3.92 116.55 123.81 3i1r n ASP 9 Ca 0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 3i1r n ASP 9 Cb 0.00 -1.44 0.00 0.00 -1.14 0.00 0.00 41.12 38.54 3i1r n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3i1r n GLU 10 N 8.73 0.00 0.00 0.11 1.02 -1.26 -4.57 120.64 124.67 3i1r n GLU 10 Ca 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 3i1r n GLU 10 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 3i1r n GLU 10 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i1r n VAL 11 N -1.22 0.00 0.03 2.62 0.31 -1.25 -3.92 118.33 114.89 3i1r n VAL 11 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3i1r n VAL 11 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 3i1r n VAL 11 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 3i1r h VAL 12 N 0.00 1.03 -0.74 2.52 3.04 -1.52 0.52 116.25 121.10 3i1r h VAL 12 Ca 0.00 -0.10 0.16 0.00 -1.01 0.00 0.00 66.70 65.75 3i1r h VAL 12 Cb 0.00 1.07 -0.14 0.00 -2.01 0.00 0.00 31.29 30.21 3i1r h VAL 12 CO 0.00 0.03 -0.11 0.50 -1.01 0.00 0.00 177.57 176.98 3i1r h LYS 13 N -0.01 0.04 0.13 4.17 1.63 -1.79 0.36 116.57 121.09 3i1r h LYS 13 Ca 0.01 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 3i1r h LYS 13 Cb 0.04 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3i1r h LYS 13 CO -0.00 0.02 -0.06 -0.22 -3.45 0.00 0.00 179.45 175.74 3i1r h LYS 14 N 0.04 -0.17 -0.18 1.90 3.11 -1.38 -3.24 116.57 116.65 3i1r h LYS 14 Ca 0.38 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 58.16 3i1r h LYS 14 Cb 0.62 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.89 3i1r h LYS 14 CO -0.72 -0.08 -0.16 -0.07 -2.81 0.00 0.00 179.45 175.60 3i1r h LEU 15 N -0.21 0.45 -0.82 5.20 3.38 0.32 -2.85 115.31 120.78 3i1r h LEU 15 Ca -0.02 -0.47 0.18 0.00 0.09 0.00 0.00 57.88 57.66 3i1r h LEU 15 Cb 0.16 -0.13 -0.16 0.00 0.09 0.00 0.00 40.66 40.63 3i1r h LEU 15 CO 0.03 0.82 -0.16 0.23 0.09 0.00 0.00 178.44 179.45 3i1r n MET 16 N -4.51 -0.07 0.08 1.13 2.81 0.08 0.75 117.12 117.39 3i1r n MET 16 Ca -0.06 1.27 -0.07 0.00 -1.81 0.00 0.00 57.70 57.03 3i1r n MET 16 Cb 0.37 -1.91 -0.07 0.00 -0.71 0.00 0.00 33.22 30.90 3i1r n MET 16 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3i1r h THR 17 N 0.00 1.63 -0.84 2.03 1.35 -1.59 0.32 112.91 115.80 3i1r h THR 17 Ca 0.41 -3.10 0.05 0.00 -0.55 0.00 0.00 66.41 63.22 3i1r h THR 17 Cb 0.68 2.71 -0.05 0.00 -1.73 0.00 0.00 68.15 69.76 3i1r h THR 17 CO -0.83 0.89 0.55 -0.33 -0.25 0.00 0.00 175.52 175.55 3i1r h GLU 18 N 0.02 0.95 0.00 4.72 5.08 0.57 -3.23 114.58 122.69 3i1r h GLU 18 Ca -0.03 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3i1r h GLU 18 Cb 1.67 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.70 3i1r h GLU 18 CO 0.13 0.63 -0.09 1.19 -1.00 0.00 0.00 179.01 179.87 3i1r n PHE 19 N -4.47 0.00 -2.09 4.33 3.01 -0.27 -5.04 117.46 112.93 3i1r n PHE 19 Ca 0.12 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.98 3i1r n PHE 19 Cb 0.17 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 3i1r n PHE 19 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 3i1r n ASN 20 N -0.82 0.00 -4.73 4.37 0.23 0.11 -4.88 115.26 109.55 3i1r n ASN 20 Ca 0.08 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.82 3i1r n ASN 20 Cb 0.54 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.36 3i1r n ASN 20 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 3i1r s TYR 21 N -1.77 2.30 -0.09 -2.53 2.02 -1.20 -5.02 117.35 111.06 3i1r s TYR 21 Ca 0.00 1.55 -0.00 0.00 -0.37 0.00 0.00 57.07 58.25 3i1r s TYR 21 Cb 0.00 -3.13 -0.00 0.00 -0.40 0.00 0.00 41.96 38.43 3i1r s TYR 21 CO 0.00 -2.16 -0.01 -0.91 -1.57 0.00 0.00 175.55 170.90 3i1r h ASN 22 N -1.39 0.00 -3.03 2.29 -0.26 -1.95 -3.47 115.58 107.77 3i1r h ASN 22 Ca -0.45 0.00 -0.64 0.00 -0.56 0.00 0.00 56.30 54.65 3i1r h ASN 22 Cb 1.25 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 38.43 3i1r h ASN 22 CO 0.50 0.47 -0.55 -0.55 -1.06 0.00 0.00 177.43 176.24 3i1r s SER 23 N -5.36 5.89 0.60 5.81 0.15 -1.26 -4.98 113.70 114.54 3i1r s SER 23 Ca -0.01 0.18 0.38 0.00 0.70 0.00 0.00 55.95 57.20 3i1r s SER 23 Cb 0.00 -1.72 1.88 0.00 -1.71 0.00 0.00 66.02 64.47 3i1r s SER 23 CO 0.01 0.24 2.18 -0.37 1.20 0.00 0.00 173.24 176.50 3i1r h VAL 24 N 2.86 0.10 -0.05 4.45 -1.51 -1.99 -1.89 116.25 118.22 3i1r h VAL 24 Ca -0.48 -0.27 -0.06 0.00 -1.23 0.00 0.00 66.70 64.66 3i1r h VAL 24 Cb 1.18 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 3i1r h VAL 24 CO 0.66 0.02 -0.24 0.24 -1.23 0.00 0.00 177.57 177.02 3i1r h MET 25 N 0.00 0.09 0.00 5.19 2.86 -2.01 0.56 114.93 121.62 3i1r h MET 25 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3i1r h MET 25 Cb 0.24 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3i1r h MET 25 CO 0.00 0.33 0.00 0.94 1.06 0.00 0.00 176.91 179.24 3i1r n GLN 26 N -4.22 0.35 -2.77 1.72 7.27 -0.71 -4.74 117.38 114.27 3i1r n GLN 26 Ca -0.02 0.06 -0.42 0.00 0.07 0.00 0.00 57.00 56.69 3i1r n GLN 26 Cb 0.32 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.43 3i1r n GLN 26 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3i1r s VAL 27 N -2.20 4.77 0.35 1.69 0.11 0.18 -4.99 120.40 120.32 3i1r s VAL 27 Ca 0.18 1.83 -0.25 0.00 -2.93 0.00 0.00 61.98 60.80 3i1r s VAL 27 Cb 0.09 -4.22 -0.13 0.00 -1.53 0.00 0.00 36.38 30.59 3i1r s VAL 27 CO 0.18 -0.09 0.79 -2.65 -3.33 0.00 0.00 175.10 169.99 3i1r n PRO 28 N 5.89 0.92 -3.84 1.54 -0.02 -1.26 -4.96 135.00 133.27 3i1r n PRO 28 Ca 0.08 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.77 3i1r n PRO 28 Cb 0.47 -1.67 -0.12 0.00 -0.02 0.00 0.00 33.50 32.17 3i1r n PRO 28 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3i1r s ARG 29 N -1.59 0.23 -0.24 -0.52 1.70 -1.26 -4.94 118.95 112.32 3i1r s ARG 29 Ca 0.62 0.03 -0.29 0.00 -0.47 0.00 0.00 55.73 55.62 3i1r s ARG 29 Cb -0.67 0.10 -0.03 0.00 -0.57 0.00 0.00 34.95 33.79 3i1r s ARG 29 CO 0.58 -0.04 1.77 0.54 -1.08 0.00 0.00 175.30 177.07 3i1r s VAL 30 N -0.29 3.50 -0.08 4.99 0.11 -1.26 -2.33 120.40 125.04 3i1r s VAL 30 Ca -0.04 0.54 -0.07 0.00 -2.93 0.00 0.00 61.98 59.49 3i1r s VAL 30 Cb -0.03 -3.57 -0.28 0.00 -1.53 0.00 0.00 36.38 30.97 3i1r s VAL 30 CO 0.00 -0.29 0.53 -0.08 -3.33 0.00 0.00 175.10 171.93 3i1r h GLU 31 N 11.95 0.30 -1.34 1.54 4.81 -1.23 -3.49 114.58 127.11 3i1r h GLU 31 Ca -0.35 -0.52 0.13 0.00 -0.13 0.00 0.00 59.36 58.49 3i1r h GLU 31 Cb 1.17 0.19 -0.29 0.00 0.63 0.00 0.00 28.75 30.46 3i1r h GLU 31 CO 1.00 1.21 0.67 -1.59 -0.73 0.00 0.00 179.01 179.58 3i1r s LYS 32 N -2.57 0.30 -0.28 1.92 -2.85 -0.97 -4.85 119.74 110.44 3i1r s LYS 32 Ca -0.18 0.29 -0.04 0.00 -1.00 0.00 0.00 55.97 55.04 3i1r s LYS 32 Cb 0.06 0.15 0.02 0.00 -2.06 0.00 0.00 37.83 36.00 3i1r s LYS 32 CO 0.81 -0.05 0.02 0.42 0.10 0.00 0.00 175.35 176.65 3i1r s ILE 33 N -0.10 3.45 -0.24 3.79 1.01 -0.90 -0.28 121.20 127.93 3i1r s ILE 33 Ca 0.05 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 3i1r s ILE 33 Cb -0.04 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 3i1r s ILE 33 CO -0.09 0.10 0.12 0.42 0.00 0.00 0.00 174.94 175.49 3i1r s THR 34 N 1.41 4.94 -0.15 2.92 -4.23 -0.59 -0.47 115.64 119.48 3i1r s THR 34 Ca 0.01 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 3i1r s THR 34 Cb -0.17 -3.31 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 3i1r s THR 34 CO -0.01 0.34 -0.14 -1.48 -0.54 0.00 0.00 174.62 172.80 3i1r s LEU 35 N 1.24 2.58 0.25 4.79 0.05 -0.73 -0.00 118.68 126.86 3i1r s LEU 35 Ca 0.06 -0.41 0.05 0.00 0.05 0.00 0.00 54.13 53.88 3i1r s LEU 35 Cb -0.14 -1.59 -0.05 0.00 -2.05 0.00 0.00 46.19 42.36 3i1r s LEU 35 CO 0.05 0.11 -0.04 0.21 -0.55 0.00 0.00 176.35 176.13 3i1r s ASN 36 N 0.65 2.29 0.00 1.48 2.47 -0.91 -1.46 114.94 119.46 3i1r s ASN 36 Ca -0.07 -1.18 0.00 0.00 0.42 0.00 0.00 52.86 52.02 3i1r s ASN 36 Cb -0.16 -0.08 0.00 0.00 -1.45 0.00 0.00 41.25 39.56 3i1r s ASN 36 CO 0.02 -0.41 0.00 0.23 -3.72 0.00 0.00 177.10 173.23 3i1r n MET 37 N -0.48 0.00 -1.38 0.43 2.81 0.61 -2.27 117.12 116.85 3i1r n MET 37 Ca -0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 3i1r n MET 37 Cb 0.63 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.14 3i1r n MET 37 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i1r n GLY 38 N 3.69 -0.76 0.22 3.03 0.00 -1.25 -4.84 105.19 105.29 3i1r n GLY 38 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 3i1r n GLY 38 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3i1r h VAL 39 N 0.00 0.58 0.00 1.61 3.04 -1.90 -3.45 116.25 116.13 3i1r h VAL 39 Ca 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 3i1r h VAL 39 Cb 0.00 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 29.68 3i1r h VAL 39 CO 0.00 0.03 0.00 0.61 -1.01 0.00 0.00 177.57 177.20 3i1r n GLY 40 N -1.33 0.79 0.78 3.17 0.00 -1.24 -4.52 105.19 102.84 3i1r n GLY 40 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3i1r n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1r n GLU 41 N 0.00 2.06 0.19 1.61 -0.58 -1.26 -4.11 120.64 118.55 3i1r n GLU 41 Ca 0.00 -1.57 0.14 0.00 -0.42 0.00 0.00 57.16 55.31 3i1r n GLU 41 Cb 0.00 -1.47 0.60 0.00 -0.57 0.00 0.00 31.44 30.01 3i1r n GLU 41 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i1r h ALA 42 N 4.56 1.00 -0.90 0.62 0.00 -1.79 0.13 119.26 122.87 3i1r h ALA 42 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.13 3i1r h ALA 42 Cb 0.83 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3i1r h ALA 42 CO 0.00 0.00 0.61 -0.84 0.00 0.00 0.00 179.25 179.02 3i1r h ILE 43 N 0.00 0.64 0.00 0.00 3.07 -1.87 -2.88 117.51 116.47 3i1r h ILE 43 Ca 0.00 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.31 3i1r h ILE 43 Cb 0.33 0.31 0.00 0.00 -0.27 0.00 0.00 36.82 37.19 3i1r h ILE 43 CO 0.00 0.06 -0.33 0.00 -1.05 0.00 0.00 178.15 176.83 3i1r n ALA 44 N -2.56 0.41 -2.69 0.16 0.00 -0.12 -4.82 120.51 110.90 3i1r n ALA 44 Ca 0.19 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 3i1r n ALA 44 Cb 0.77 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 20.21 3i1r n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i1r s ASP 45 N -4.68 6.69 0.46 0.00 -0.00 -0.33 -4.82 116.67 113.98 3i1r s ASP 45 Ca -0.10 -2.03 0.19 0.00 -0.00 0.00 0.00 52.55 50.62 3i1r s ASP 45 Cb 0.01 -2.52 1.17 0.00 -0.00 0.00 0.00 42.92 41.58 3i1r s ASP 45 CO 0.14 -1.24 1.92 0.07 -0.00 0.00 0.00 175.17 176.07 3i1r h LYS 46 N 8.69 0.28 0.00 8.23 -0.00 -1.77 0.04 116.57 132.04 3i1r h LYS 46 Ca 0.27 -0.02 -0.09 0.00 -0.00 0.00 0.00 60.65 60.81 3i1r h LYS 46 Cb 0.96 -0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 33.11 3i1r h LYS 46 CO 1.35 0.19 -0.45 -0.22 -0.00 0.00 0.00 179.45 180.32 3i1r h LYS 47 N 0.29 0.00 -0.81 0.07 3.64 -1.87 -3.11 116.57 114.78 3i1r h LYS 47 Ca 0.37 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.83 3i1r h LYS 47 Cb 1.01 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.76 3i1r h LYS 47 CO -0.09 0.45 0.47 1.25 -2.27 0.00 0.00 179.45 179.26 3i1r h LEU 48 N 0.00 0.70 -0.54 5.20 5.85 -1.35 -2.71 115.31 122.45 3i1r h LEU 48 Ca -0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3i1r h LEU 48 Cb 1.19 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 3i1r h LEU 48 CO 0.06 0.42 0.28 0.25 -0.34 0.00 0.00 178.44 179.11 3i1r h LEU 49 N 0.82 0.69 -1.58 2.25 5.85 -1.57 -2.10 115.31 119.68 3i1r h LEU 49 Ca 0.38 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.13 3i1r h LEU 49 Cb 0.28 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3i1r h LEU 49 CO -0.22 0.60 0.50 0.44 -0.34 0.00 0.00 178.44 179.42 3i1r h ASP 50 N 0.73 0.40 -0.17 1.25 5.19 -1.59 -0.66 116.42 121.56 3i1r h ASP 50 Ca 0.19 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.58 3i1r h ASP 50 Cb 0.08 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 3i1r h ASP 50 CO -0.03 0.21 -0.04 0.78 -3.12 0.00 0.00 179.24 177.04 3i1r h ASN 51 N 0.42 0.33 -0.28 6.45 2.35 -1.32 -2.13 115.58 121.41 3i1r h ASN 51 Ca 0.36 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3i1r h ASN 51 Cb 0.82 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 3i1r h ASN 51 CO -0.12 0.63 0.16 0.00 -1.65 0.00 0.00 177.43 176.45 3i1r h ALA 52 N 0.72 1.73 0.09 -0.83 0.00 -0.89 0.11 119.26 120.18 3i1r h ALA 52 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i1r h ALA 52 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3i1r h ALA 52 CO 0.02 0.24 -0.04 0.00 0.00 0.00 0.00 179.25 179.46 3i1r h ALA 53 N 1.77 -0.12 -0.18 0.00 0.00 -1.25 -2.40 119.26 117.08 3i1r h ALA 53 Ca 0.11 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3i1r h ALA 53 Cb 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3i1r h ALA 53 CO -0.02 -0.12 0.66 0.00 0.00 0.00 0.00 179.25 179.78 3i1r h ALA 54 N -0.84 1.85 0.17 0.00 0.00 -1.39 0.53 119.26 119.58 3i1r h ALA 54 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3i1r h ALA 54 Cb 0.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3i1r h ALA 54 CO 0.02 -0.76 -0.08 -0.44 0.00 0.00 0.00 179.25 177.99 3i1r h ASP 55 N 0.00 -0.19 -0.16 0.00 3.45 -0.68 -3.20 116.42 115.64 3i1r h ASP 55 Ca 0.08 -0.34 -0.01 0.00 0.43 0.00 0.00 57.03 57.19 3i1r h ASP 55 Cb 1.41 0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 40.22 3i1r h ASP 55 CO -0.00 0.36 0.07 -0.07 -1.57 0.00 0.00 179.24 178.03 3i1r h LEU 56 N -0.88 0.27 -0.49 1.55 3.38 -0.17 -1.91 115.31 117.06 3i1r h LEU 56 Ca -0.02 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.02 3i1r h LEU 56 Cb 0.52 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 3i1r h LEU 56 CO 0.04 0.27 -0.33 0.00 0.09 0.00 0.00 178.44 178.50 3i1r h ALA 57 N 1.78 -0.12 0.01 1.53 0.00 -0.18 -0.49 119.26 121.78 3i1r h ALA 57 Ca 0.08 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3i1r h ALA 57 Cb 0.10 0.74 0.01 0.00 0.00 0.00 0.00 17.79 18.64 3i1r h ALA 57 CO -0.01 -0.70 -0.63 0.00 0.00 0.00 0.00 179.25 177.91 3i1r h ALA 58 N 0.87 0.06 -0.94 0.00 0.00 -1.38 -3.29 119.26 114.59 3i1r h ALA 58 Ca 0.20 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.62 3i1r h ALA 58 Cb 0.54 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 3i1r h ALA 58 CO -0.60 0.36 0.60 0.82 0.00 0.00 0.00 179.25 180.43 3i1r h ILE 59 N -0.12 0.98 -4.56 0.00 2.04 -1.34 -3.42 117.51 111.09 3i1r h ILE 59 Ca -0.08 -0.33 -0.69 0.00 1.00 0.00 0.00 64.86 64.76 3i1r h ILE 59 Cb 1.35 -0.07 -0.30 0.00 -0.74 0.00 0.00 36.82 37.07 3i1r h ILE 59 CO 0.12 0.17 -0.88 -0.94 0.00 0.00 0.00 178.15 176.62 3i1r s SER 60 N -5.86 2.98 0.04 1.72 1.04 -0.20 -4.99 113.70 108.42 3i1r s SER 60 Ca -0.11 -0.47 -0.02 0.00 0.48 0.00 0.00 55.95 55.83 3i1r s SER 60 Cb 0.21 -0.33 0.04 0.00 0.10 0.00 0.00 66.02 66.04 3i1r s SER 60 CO 0.80 0.31 0.23 0.61 0.98 0.00 0.00 173.24 176.17 3i1r n GLY 61 N 2.41 -0.30 0.00 7.32 0.00 -1.26 -4.54 105.19 108.81 3i1r n GLY 61 Ca -0.16 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3i1r n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1r n GLN 62 N -4.23 0.69 -2.55 1.61 1.13 -1.26 -4.93 117.38 107.85 3i1r n GLN 62 Ca 0.02 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 3i1r n GLN 62 Cb 0.06 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.39 3i1r n GLN 62 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3i1r s LYS 63 N 1.50 3.40 0.49 -1.09 2.20 -1.26 -4.17 119.74 120.80 3i1r s LYS 63 Ca 0.00 0.15 -0.20 0.00 -0.36 0.00 0.00 55.97 55.55 3i1r s LYS 63 Cb 0.00 -4.07 -0.11 0.00 -1.51 0.00 0.00 37.83 32.14 3i1r s LYS 63 CO 0.00 -1.84 0.56 -2.30 -0.36 0.00 0.00 175.35 171.41 3i1r n PRO 64 N 8.72 0.60 -4.54 4.03 -0.02 -1.26 -4.97 135.00 137.56 3i1r n PRO 64 Ca 0.08 0.23 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 3i1r n PRO 64 Cb 0.49 -1.63 -0.13 0.00 -0.02 0.00 0.00 33.50 32.21 3i1r n PRO 64 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i1r s LEU 65 N 1.19 3.01 0.26 2.45 2.96 0.05 -4.94 118.68 123.66 3i1r s LEU 65 Ca 0.65 -0.22 -0.24 0.00 -0.22 0.00 0.00 54.13 54.10 3i1r s LEU 65 Cb -0.53 -1.71 -0.09 0.00 0.50 0.00 0.00 46.19 44.37 3i1r s LEU 65 CO 0.57 0.16 0.84 0.27 -1.32 0.00 0.00 176.35 176.86 3i1r s ILE 66 N 0.39 4.36 -0.22 6.68 -4.36 -1.26 -1.22 121.20 125.57 3i1r s ILE 66 Ca -0.07 1.63 -0.00 0.00 -0.26 0.00 0.00 60.65 61.95 3i1r s ILE 66 Cb -0.15 -4.00 0.03 0.00 1.25 0.00 0.00 42.46 39.59 3i1r s ILE 66 CO 0.04 0.25 -0.12 0.42 0.24 0.00 0.00 174.94 175.77 3i1r s THR 67 N -1.48 2.49 0.95 8.37 -4.23 0.32 -4.95 115.64 117.11 3i1r s THR 67 Ca 0.45 -1.04 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 3i1r s THR 67 Cb -0.19 -2.21 0.16 0.00 1.34 0.00 0.00 72.50 71.60 3i1r s THR 67 CO 0.24 0.31 1.10 -0.54 -0.54 0.00 0.00 174.62 175.19 3i1r s LYS 68 N 1.29 0.84 -0.12 3.99 3.01 -1.26 -1.39 119.74 126.10 3i1r s LYS 68 Ca 0.01 0.58 -0.30 0.00 -1.01 0.00 0.00 55.97 55.25 3i1r s LYS 68 Cb -0.16 -1.78 -0.02 0.00 -1.01 0.00 0.00 37.83 34.87 3i1r s LYS 68 CO -0.08 -2.47 1.15 0.00 0.51 0.00 0.00 175.35 174.47 3i1r s ALA 69 N -3.01 3.55 0.33 5.17 0.00 -0.19 -4.69 121.76 122.92 3i1r s ALA 69 Ca 0.64 0.47 0.10 0.00 0.00 0.00 0.00 51.96 53.17 3i1r s ALA 69 Cb -0.18 -3.53 0.86 0.00 0.00 0.00 0.00 23.12 20.28 3i1r s ALA 69 CO 0.57 -0.88 1.77 -0.09 0.00 0.00 0.00 175.76 177.14 3i1r h ARG 70 N 7.57 0.61 -2.26 0.00 2.43 -1.93 -2.51 114.38 118.30 3i1r h ARG 70 Ca -0.29 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.77 3i1r h ARG 70 Cb 1.13 -0.14 -0.21 0.00 -0.42 0.00 0.00 29.97 30.33 3i1r h ARG 70 CO 0.91 0.41 0.03 0.21 -1.51 0.00 0.00 179.97 180.02 3i1r s LYS 71 N -5.74 0.81 0.07 0.20 2.47 -1.26 -4.81 119.74 111.48 3i1r s LYS 71 Ca -0.10 0.60 -0.31 0.00 -1.56 0.00 0.00 55.97 54.60 3i1r s LYS 71 Cb 0.25 0.39 -0.07 0.00 -1.46 0.00 0.00 37.83 36.94 3i1r s LYS 71 CO 0.80 -0.16 1.45 0.45 0.16 0.00 0.00 175.35 178.05 3i1r s SER 72 N -0.24 6.78 -0.07 1.43 0.15 -1.26 -4.72 113.70 115.76 3i1r s SER 72 Ca -0.04 2.29 -0.03 0.00 0.70 0.00 0.00 55.95 58.87 3i1r s SER 72 Cb -0.03 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.75 3i1r s SER 72 CO 0.04 -0.73 0.15 0.68 1.20 0.00 0.00 173.24 174.57 3i1r s VAL 73 N 1.88 -0.12 0.30 4.45 -7.23 -1.12 -4.90 120.40 113.66 3i1r s VAL 73 Ca 0.66 0.24 0.31 0.00 -1.81 0.00 0.00 61.98 61.38 3i1r s VAL 73 Cb -0.36 -0.26 0.33 0.00 0.56 0.00 0.00 36.38 36.65 3i1r s VAL 73 CO 0.29 0.10 2.03 0.00 -0.31 0.00 0.00 175.10 177.22 3i1r h ALA 74 N 7.64 1.11 -1.20 1.32 0.00 -1.95 -3.25 119.26 122.93 3i1r h ALA 74 Ca -0.33 -0.09 0.34 0.00 0.00 0.00 0.00 54.91 54.84 3i1r h ALA 74 Cb 1.13 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 3i1r h ALA 74 CO 0.33 0.12 0.80 0.78 0.00 0.00 0.00 179.25 181.28 3i1r h GLY 75 N 1.32 0.82 -0.44 0.00 0.00 -1.97 -2.28 103.07 100.51 3i1r h GLY 75 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3i1r h GLY 75 CO 0.01 -0.15 -0.18 0.69 0.00 0.00 0.00 176.54 176.92 3i1r n PHE 76 N -4.48 0.00 -2.17 5.60 0.99 -1.23 -5.01 117.46 111.17 3i1r n PHE 76 Ca 0.29 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.63 3i1r n PHE 76 Cb 1.17 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 39.64 3i1r n PHE 76 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3i1r n LYS 77 N -0.21 -0.91 -4.06 -1.08 5.02 -0.86 -5.03 118.16 111.03 3i1r n LYS 77 Ca 0.04 0.58 -0.35 0.00 -2.02 0.00 0.00 58.31 56.56 3i1r n LYS 77 Cb 0.20 -4.70 -0.12 0.00 -0.02 0.00 0.00 35.03 30.39 3i1r n LYS 77 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3i1r s ILE 78 N -2.56 4.27 0.35 -0.18 -4.36 -1.24 -5.02 121.20 112.46 3i1r s ILE 78 Ca 0.00 -0.21 -0.08 0.00 -0.26 0.00 0.00 60.65 60.10 3i1r s ILE 78 Cb 0.00 -2.93 -0.06 0.00 1.25 0.00 0.00 42.46 40.72 3i1r s ILE 78 CO 0.00 0.43 0.67 -0.60 0.24 0.00 0.00 174.94 175.68 3i1r s ARG 79 N 0.82 3.73 0.32 0.37 3.52 -1.26 -2.78 118.95 123.67 3i1r s ARG 79 Ca 0.02 0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 55.61 3i1r s ARG 79 Cb -0.14 -2.51 -0.10 0.00 -1.56 0.00 0.00 34.95 30.64 3i1r s ARG 79 CO 0.02 0.09 1.27 -1.14 -0.81 0.00 0.00 175.30 174.73 3i1r s GLN 80 N -3.63 4.41 -0.03 5.12 -0.44 -1.26 -2.58 119.66 121.25 3i1r s GLN 80 Ca 0.48 2.14 0.00 0.00 -2.50 0.00 0.00 55.36 55.48 3i1r s GLN 80 Cb -0.10 -3.09 0.00 0.00 -1.64 0.00 0.00 33.01 28.17 3i1r s GLN 80 CO 0.29 -0.12 0.00 0.41 0.50 0.00 0.00 175.29 176.38 3i1r n GLY 81 N 0.90 0.47 3.57 2.59 0.00 -0.95 -4.92 105.19 106.85 3i1r n GLY 81 Ca -0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 3i1r n GLY 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i1r s TYR 82 N -1.97 3.00 -0.82 1.61 6.04 -1.06 -4.60 117.35 119.54 3i1r s TYR 82 Ca 0.00 0.40 -0.22 0.00 0.04 0.00 0.00 57.07 57.29 3i1r s TYR 82 Cb 0.00 -3.74 -0.19 0.00 -1.04 0.00 0.00 41.96 36.98 3i1r s TYR 82 CO 0.00 -0.97 2.39 -0.35 -1.54 0.00 0.00 175.55 175.08 3i1r n PRO 83 N 6.86 0.41 -2.24 4.97 -0.04 -1.26 -1.03 135.00 142.67 3i1r n PRO 83 Ca 0.05 -0.31 -0.20 0.00 -0.04 0.00 0.00 63.50 63.00 3i1r n PRO 83 Cb 0.48 -2.54 0.02 0.00 -0.04 0.00 0.00 33.50 31.43 3i1r n PRO 83 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3i1r n ILE 84 N 7.51 2.26 0.00 0.52 0.13 -0.49 -4.80 119.36 124.49 3i1r n ILE 84 Ca 0.54 -4.10 0.00 0.00 -1.10 0.00 0.00 62.75 58.09 3i1r n ILE 84 Cb 0.31 -0.73 0.00 0.00 -0.84 0.00 0.00 39.64 38.38 3i1r n ILE 84 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3i1r n GLY 85 N -0.63 4.26 3.27 4.50 0.00 -1.23 -3.70 105.19 111.66 3i1r n GLY 85 Ca 0.36 -1.41 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 3i1r n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1r s LYS 87 N -3.10 1.95 -0.28 0.00 -2.85 -0.36 -0.29 119.74 114.82 3i1r s LYS 87 Ca 0.14 -1.76 -0.22 0.00 -1.00 0.00 0.00 55.97 53.13 3i1r s LYS 87 Cb -0.03 0.46 0.09 0.00 -2.06 0.00 0.00 37.83 36.29 3i1r s LYS 87 CO 0.03 -0.82 0.81 0.08 0.10 0.00 0.00 175.35 175.56 3i1r s VAL 88 N -2.96 0.00 -0.23 1.79 1.01 -0.53 -0.77 120.40 118.69 3i1r s VAL 88 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 3i1r s VAL 88 Cb -0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3i1r s VAL 88 CO 0.20 0.00 -0.02 -0.89 0.00 0.00 0.00 175.10 174.39 3i1r s THR 89 N 0.71 3.50 -0.10 3.92 2.01 -1.26 -1.77 115.64 122.64 3i1r s THR 89 Ca -0.02 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 3i1r s THR 89 Cb -0.05 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 3i1r s THR 89 CO -0.07 0.36 0.28 -0.76 -0.69 0.00 0.00 174.62 173.74 3i1r s LEU 90 N 1.48 4.36 0.00 4.42 2.01 0.38 -4.98 118.68 126.35 3i1r s LEU 90 Ca 0.05 0.63 0.01 0.00 0.01 0.00 0.00 54.13 54.83 3i1r s LEU 90 Cb -0.15 -2.34 -0.00 0.00 0.01 0.00 0.00 46.19 43.71 3i1r s LEU 90 CO -0.02 0.26 0.08 0.54 1.01 0.00 0.00 176.35 178.22 3i1r n ARG 91 N 2.58 0.11 0.00 1.70 1.74 -1.26 -2.11 116.66 119.41 3i1r n ARG 91 Ca -0.15 -0.67 0.00 0.00 -0.77 0.00 0.00 57.85 56.26 3i1r n ARG 91 Cb 0.53 0.58 0.00 0.00 -1.02 0.00 0.00 32.46 32.55 3i1r n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1r n GLY 92 N -0.13 1.63 0.42 -0.13 0.00 -1.26 -0.65 105.19 105.06 3i1r n GLY 92 Ca 0.01 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 3i1r n GLY 92 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i1r h GLU 93 N 0.00 -0.92 -0.83 1.61 4.57 -2.01 -3.21 114.58 113.81 3i1r h GLU 93 Ca 0.00 0.06 0.21 0.00 -1.18 0.00 0.00 59.36 58.45 3i1r h GLU 93 Cb 0.00 0.21 -0.14 0.00 -0.16 0.00 0.00 28.75 28.66 3i1r h GLU 93 CO 0.00 -0.61 0.13 0.00 -1.18 0.00 0.00 179.01 177.35 3i1r h ARG 94 N -0.95 0.16 -0.07 1.92 3.08 -1.95 0.43 114.38 117.00 3i1r h ARG 94 Ca -0.08 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3i1r h ARG 94 Cb 0.77 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 3i1r h ARG 94 CO 0.08 0.11 -0.37 1.98 -1.07 0.00 0.00 179.97 180.70 3i1r h MET 95 N 0.17 -0.40 -0.63 0.04 4.05 -0.89 0.37 114.93 117.63 3i1r h MET 95 Ca 0.49 0.03 0.09 0.00 -0.28 0.00 0.00 59.70 60.03 3i1r h MET 95 Cb 0.93 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 31.75 3i1r h MET 95 CO -0.66 -0.27 0.26 -1.49 0.23 0.00 0.00 176.91 174.99 3i1r h TRP 96 N -0.42 0.47 0.08 1.39 4.06 -0.95 0.81 115.95 121.39 3i1r h TRP 96 Ca 0.02 0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.00 3i1r h TRP 96 Cb 0.48 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 3i1r h TRP 96 CO -0.52 0.14 -0.10 0.93 -3.56 0.00 0.00 178.44 175.33 3i1r h GLU 97 N 0.47 -0.20 0.30 0.49 5.08 -1.11 0.13 114.58 119.74 3i1r h GLU 97 Ca 0.31 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3i1r h GLU 97 Cb 0.36 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3i1r h GLU 97 CO -0.29 -0.14 -0.31 0.35 -1.00 0.00 0.00 179.01 177.63 3i1r h PHE 98 N -0.21 -0.84 -0.98 4.33 3.57 0.12 -1.72 116.94 121.22 3i1r h PHE 98 Ca 0.01 0.01 0.30 0.00 3.53 0.00 0.00 57.97 61.82 3i1r h PHE 98 Cb 0.21 0.33 -0.18 0.00 2.79 0.00 0.00 35.95 39.10 3i1r h PHE 98 CO -0.12 -0.44 0.16 0.35 -2.23 0.00 0.00 178.31 176.02 3i1r h PHE 99 N -0.65 0.18 0.25 0.41 3.57 0.10 0.19 116.94 120.99 3i1r h PHE 99 Ca -0.01 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3i1r h PHE 99 Cb 0.59 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.42 3i1r h PHE 99 CO -0.19 -0.42 -0.12 1.49 -2.23 0.00 0.00 178.31 176.83 3i1r h GLU 100 N 0.03 -0.32 0.00 1.11 4.81 0.17 -2.50 114.58 117.87 3i1r h GLU 100 Ca 0.65 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.90 3i1r h GLU 100 Cb 1.45 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.90 3i1r h GLU 100 CO -0.87 -0.22 0.02 2.89 -0.73 0.00 0.00 179.01 180.11 3i1r n ARG 101 N -2.96 0.05 0.20 1.92 1.85 -0.91 0.90 116.66 117.71 3i1r n ARG 101 Ca -0.04 0.54 -0.13 0.00 -1.00 0.00 0.00 57.85 57.22 3i1r n ARG 101 Cb 0.13 -1.69 -0.07 0.00 -1.05 0.00 0.00 32.46 29.78 3i1r n ARG 101 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 3i1r h LEU 102 N 0.00 -0.45 0.00 2.89 7.12 -0.42 0.87 115.31 125.32 3i1r h LEU 102 Ca 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.89 3i1r h LEU 102 Cb 0.05 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.30 3i1r h LEU 102 CO 0.00 -0.05 -0.68 0.16 -0.13 0.00 0.00 178.44 177.74 3i1r h ILE 103 N -0.95 0.00 0.00 4.05 3.07 -0.24 0.14 117.51 123.58 3i1r h ILE 103 Ca -0.05 -0.73 -0.10 0.00 1.55 0.00 0.00 64.86 65.53 3i1r h ILE 103 Cb 0.55 1.33 -0.02 0.00 -0.27 0.00 0.00 36.82 38.42 3i1r h ILE 103 CO 0.09 0.00 -0.55 0.74 -1.05 0.00 0.00 178.15 177.38 3i1r h THR 104 N 0.00 1.40 0.00 0.16 2.02 0.39 -3.43 112.91 113.44 3i1r h THR 104 Ca 0.00 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.92 3i1r h THR 104 Cb 0.86 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 3i1r h THR 104 CO 0.00 0.47 -0.02 2.30 0.37 0.00 0.00 175.52 178.65 3i1r n ILE 105 N -4.53 0.00 -0.11 3.11 -5.35 -1.17 -4.76 119.36 106.55 3i1r n ILE 105 Ca -0.20 -0.04 -0.21 0.00 -0.27 0.00 0.00 62.75 62.03 3i1r n ILE 105 Cb 0.56 0.85 -0.09 0.00 -1.74 0.00 0.00 39.64 39.22 3i1r n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1r n ALA 106 N -0.11 0.86 0.00 -1.28 0.00 0.29 -4.13 120.51 116.15 3i1r n ALA 106 Ca 0.00 -0.67 0.06 0.00 0.00 0.00 0.00 53.44 52.83 3i1r n ALA 106 Cb 0.00 -0.27 0.45 0.00 0.00 0.00 0.00 19.45 19.63 3i1r n ALA 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1r h VAL 107 N -1.00 1.06 -0.65 0.00 2.07 -0.91 -2.42 116.25 114.40 3i1r h VAL 107 Ca -0.39 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3i1r h VAL 107 Cb 1.28 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3i1r h VAL 107 CO -0.23 0.09 0.42 -0.65 0.02 0.00 0.00 177.57 177.22 3i1r h PRO 108 N 0.49 0.82 0.00 1.57 0.11 -1.81 -3.01 132.00 130.17 3i1r h PRO 108 Ca 0.16 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3i1r h PRO 108 Cb 0.05 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.98 3i1r h PRO 108 CO -0.04 0.54 0.00 0.54 -0.21 0.00 0.00 178.00 178.83 3i1r n ARG 109 N -4.66 0.48 -2.64 1.05 3.00 -0.91 -4.77 116.66 108.20 3i1r n ARG 109 Ca 0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.47 3i1r n ARG 109 Cb 0.05 -1.24 -0.02 0.00 0.00 0.00 0.00 32.46 31.25 3i1r n ARG 109 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3i1r s ILE 110 N -2.00 4.66 0.00 0.55 1.01 -1.14 -4.71 121.20 119.57 3i1r s ILE 110 Ca 0.11 1.98 0.00 0.00 0.00 0.00 0.00 60.65 62.74 3i1r s ILE 110 Cb 0.05 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.25 3i1r s ILE 110 CO 0.09 -0.12 0.00 0.54 0.00 0.00 0.00 174.94 175.44 3i1r n ARG 111 N 5.97 0.00 -0.23 2.79 5.12 -1.26 -0.57 116.66 128.48 3i1r n ARG 111 Ca 0.11 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 56.06 3i1r n ARG 111 Cb 0.47 0.00 0.15 0.00 -1.16 0.00 0.00 32.46 31.91 3i1r n ARG 111 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 3i1r h ASP 112 N 0.00 0.29 -3.73 0.55 2.03 -1.92 -3.49 116.42 110.14 3i1r h ASP 112 Ca 0.00 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 3i1r h ASP 112 Cb 0.00 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 3i1r h ASP 112 CO 0.00 0.14 -0.46 0.33 -1.03 0.00 0.00 179.24 178.23 3i1r n PHE 113 N -4.98 -2.34 -0.26 4.15 7.35 0.27 -5.00 117.46 116.66 3i1r n PHE 113 Ca 0.12 1.40 0.00 0.00 -0.76 0.00 0.00 57.45 58.21 3i1r n PHE 113 Cb 0.34 -2.83 0.00 0.00 0.35 0.00 0.00 39.48 37.33 3i1r n PHE 113 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 3i1r n ARG 114 N 0.89 -0.03 0.00 -4.13 -4.01 -1.26 -5.09 116.66 103.03 3i1r n ARG 114 Ca 0.00 -0.31 0.00 0.00 -1.04 0.00 0.00 57.85 56.50 3i1r n ARG 114 Cb 0.00 -0.79 0.00 0.00 -3.04 0.00 0.00 32.46 28.63 3i1r n ARG 114 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3i1r n GLY 115 N 0.09 3.45 3.84 2.89 0.00 -1.26 -4.81 105.19 109.38 3i1r n GLY 115 Ca 0.00 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 3i1r n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1r s LEU 116 N 0.00 2.15 -0.18 0.99 2.01 -1.25 -4.78 118.68 117.61 3i1r s LEU 116 Ca 0.00 0.39 -0.09 0.00 0.01 0.00 0.00 54.13 54.44 3i1r s LEU 116 Cb 0.00 -2.35 -0.05 0.00 0.01 0.00 0.00 46.19 43.80 3i1r s LEU 116 CO 0.00 -3.10 0.11 -0.55 1.01 0.00 0.00 176.35 173.82 3i1r s SER 117 N -4.60 6.09 -0.06 2.29 0.15 -1.26 -2.23 113.70 114.07 3i1r s SER 117 Ca 0.73 0.22 0.14 0.00 0.70 0.00 0.00 55.95 57.74 3i1r s SER 117 Cb -0.06 -2.05 0.51 0.00 -1.71 0.00 0.00 66.02 62.71 3i1r s SER 117 CO 0.54 0.21 1.39 0.00 1.20 0.00 0.00 173.24 176.58 3i1r n ALA 118 N 3.32 2.81 0.66 5.45 0.00 -1.26 -3.61 120.51 127.88 3i1r n ALA 118 Ca -0.17 -1.08 0.07 0.00 0.00 0.00 0.00 53.44 52.26 3i1r n ALA 118 Cb 0.52 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 3i1r n ALA 118 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1r n LYS 119 N 0.83 1.77 -1.63 0.00 5.02 -1.26 -4.77 118.16 118.12 3i1r n LYS 119 Ca 0.18 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 56.05 3i1r n LYS 119 Cb 0.62 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 34.36 3i1r n LYS 119 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3i1r n SER 120 N -1.43 3.39 -3.86 4.39 7.64 -1.24 -4.85 113.62 117.67 3i1r n SER 120 Ca 0.02 -2.77 -0.19 0.00 1.01 0.00 0.00 58.87 56.94 3i1r n SER 120 Cb 0.26 -1.47 -0.16 0.00 -1.01 0.00 0.00 64.21 61.83 3i1r n SER 120 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i1r s PHE 121 N 4.68 0.57 -2.00 1.43 0.08 -1.26 -4.24 117.98 117.25 3i1r s PHE 121 Ca 0.54 -0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.49 3i1r s PHE 121 Cb 0.12 -0.57 0.18 0.00 -0.57 0.00 0.00 43.02 42.17 3i1r s PHE 121 CO 0.03 -0.17 0.54 -0.40 -0.10 0.00 0.00 175.22 175.12 3i1r n ASP 122 N 4.13 0.00 0.00 1.36 5.75 -0.80 -4.72 116.55 122.26 3i1r n ASP 122 Ca -0.25 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 3i1r n ASP 122 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3i1r n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i1r n GLY 123 N -0.20 0.48 2.71 6.12 0.00 -1.26 -4.90 105.19 108.14 3i1r n GLY 123 Ca 0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 3i1r n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1r n ARG 124 N -2.92 1.35 -3.48 1.61 1.74 -1.26 -4.38 116.66 109.31 3i1r n ARG 124 Ca 0.00 -2.42 -0.20 0.00 -0.77 0.00 0.00 57.85 54.46 3i1r n ARG 124 Cb 0.00 -0.59 0.08 0.00 -1.02 0.00 0.00 32.46 30.93 3i1r n ARG 124 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1r n GLY 125 N -0.70 -0.42 2.86 -0.13 0.00 -1.25 -4.70 105.19 100.85 3i1r n GLY 125 Ca -0.01 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 3i1r n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i1r s ASN 126 N -3.92 0.11 0.00 1.61 0.01 -1.26 -2.59 114.94 108.90 3i1r s ASN 126 Ca 0.24 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 3i1r s ASN 126 Cb -0.10 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.52 3i1r s ASN 126 CO 0.72 -0.02 0.00 0.00 -1.51 0.00 0.00 177.10 176.29 3i1r n TYR 127 N 3.29 0.00 -0.42 2.20 9.36 -0.01 -1.91 117.16 129.67 3i1r n TYR 127 Ca -0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.07 3i1r n TYR 127 Cb 0.58 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.29 3i1r n TYR 127 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3i1r n SER 128 N 0.00 -1.66 -3.67 2.98 7.64 -1.26 -4.04 113.62 113.61 3i1r n SER 128 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 3i1r n SER 128 Cb 0.00 -0.83 -0.05 0.00 -1.01 0.00 0.00 64.21 62.32 3i1r n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1r s MET 129 N -2.99 1.01 0.26 1.43 0.23 -0.51 -4.83 119.30 113.91 3i1r s MET 129 Ca 0.00 -0.67 0.06 0.00 -1.03 0.00 0.00 55.69 54.06 3i1r s MET 129 Cb 0.00 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.71 3i1r s MET 129 CO 0.00 -0.38 0.28 0.20 -2.03 0.00 0.00 175.02 173.09 3i1r s GLY 130 N -2.64 1.39 0.00 3.16 0.00 -1.26 -2.43 107.32 105.54 3i1r s GLY 130 Ca 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.35 3i1r s GLY 130 CO -0.10 -1.40 0.27 3.33 0.00 0.00 0.00 173.10 175.21 3i1r n VAL 131 N -1.30 0.00 -2.36 1.40 0.24 0.46 -4.97 118.33 111.79 3i1r n VAL 131 Ca -0.07 -0.47 -0.15 0.00 -2.04 0.00 0.00 64.34 61.61 3i1r n VAL 131 Cb 0.58 1.03 0.01 0.00 -1.47 0.00 0.00 33.84 33.99 3i1r n VAL 131 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i1r n ARG 132 N -0.39 -0.75 -0.38 7.34 1.74 -1.25 -4.36 116.66 118.60 3i1r n ARG 132 Ca 0.00 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3i1r n ARG 132 Cb 0.01 -0.85 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 3i1r n ARG 132 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3i1r n GLU 133 N -0.50 0.00 0.00 5.56 2.13 -1.25 -4.85 120.64 121.73 3i1r n GLU 133 Ca -0.07 0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.94 3i1r n GLU 133 Cb 0.29 -0.20 0.00 0.00 0.27 0.00 0.00 31.44 31.80 3i1r n GLU 133 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i1r n GLN 134 N 1.81 0.00 0.00 5.31 0.00 -1.19 -4.44 117.38 118.86 3i1r n GLN 134 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3i1r n GLN 134 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3i1r n GLN 134 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 3i1r n ILE 135 N 0.00 0.00 0.04 -0.39 5.41 -1.26 -4.11 119.36 119.06 3i1r n ILE 135 Ca 0.00 0.00 0.21 0.00 1.00 0.00 0.00 62.75 63.96 3i1r n ILE 135 Cb 0.00 0.00 0.63 0.00 -0.71 0.00 0.00 39.64 39.56 3i1r n ILE 135 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 176.55 176.71 3i1r h ILE 136 N 0.00 0.20 -3.41 1.39 3.07 -1.84 -3.34 117.51 113.58 3i1r h ILE 136 Ca 0.00 0.00 -0.60 0.00 1.55 0.00 0.00 64.86 65.81 3i1r h ILE 136 Cb 0.00 0.43 -0.10 0.00 -0.27 0.00 0.00 36.82 36.88 3i1r h ILE 136 CO 0.00 0.00 0.37 -0.36 -1.05 0.00 0.00 178.15 177.11 3i1r s PHE 137 N -4.47 3.24 0.52 0.16 0.08 -1.26 -4.19 117.98 112.07 3i1r s PHE 137 Ca -0.03 0.88 0.17 0.00 0.12 0.00 0.00 56.93 58.07 3i1r s PHE 137 Cb 0.13 -3.12 1.31 0.00 -0.57 0.00 0.00 43.02 40.77 3i1r s PHE 137 CO 0.46 -0.49 2.14 -1.35 -0.10 0.00 0.00 175.22 175.88 3i1r h PRO 138 N 7.99 0.00 0.00 0.24 0.11 -1.90 -2.42 132.00 136.02 3i1r h PRO 138 Ca -0.24 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.84 3i1r h PRO 138 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3i1r h PRO 138 CO 0.86 0.00 -0.13 0.93 -0.21 0.00 0.00 178.00 179.45 3i1r h GLU 139 N 0.00 0.00 -6.35 1.05 3.07 -1.92 -3.39 114.58 107.04 3i1r h GLU 139 Ca 0.02 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.31 3i1r h GLU 139 Cb 0.08 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 3i1r h GLU 139 CO -0.00 0.13 1.09 0.42 -1.40 0.00 0.00 179.01 179.25 3i1r s ILE 140 N -4.59 3.84 -0.60 3.13 1.09 -0.91 -4.96 121.20 118.20 3i1r s ILE 140 Ca -0.04 0.92 -0.27 0.00 -1.10 0.00 0.00 60.65 60.16 3i1r s ILE 140 Cb 0.15 -3.93 0.00 0.00 -1.06 0.00 0.00 42.46 37.63 3i1r s ILE 140 CO 0.65 -0.45 1.58 -0.62 -0.10 0.00 0.00 174.94 176.01 3i1r s ASP 141 N 3.96 5.80 0.54 3.58 2.15 -1.26 -4.88 116.67 126.56 3i1r s ASP 141 Ca 0.66 0.24 0.31 0.00 0.43 0.00 0.00 52.55 54.19 3i1r s ASP 141 Cb -0.20 -2.54 1.47 0.00 -0.30 0.00 0.00 42.92 41.35 3i1r s ASP 141 CO 0.29 -1.98 1.90 0.22 -0.17 0.00 0.00 175.17 175.42 3i1r h TYR 142 N 12.42 0.00 -0.00 -5.34 3.20 -1.92 0.66 116.97 125.99 3i1r h TYR 142 Ca -0.27 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.60 3i1r h TYR 142 Cb 1.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.39 3i1r h TYR 142 CO 1.05 0.00 -0.00 -0.25 -1.64 0.00 0.00 178.16 177.32 3i1r n ASP 143 N -4.23 0.01 -0.42 -2.11 8.00 -1.26 -3.00 116.55 113.54 3i1r n ASP 143 Ca 0.17 0.01 0.04 0.00 0.71 0.00 0.00 54.79 55.72 3i1r n ASP 143 Cb 0.91 -0.34 0.09 0.00 -0.02 0.00 0.00 41.12 41.77 3i1r n ASP 143 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i1r n LYS 144 N -1.34 2.26 -0.71 -1.24 4.76 0.23 -5.04 118.16 117.09 3i1r n LYS 144 Ca 0.12 -1.67 -0.29 0.00 -2.87 0.00 0.00 58.31 53.60 3i1r n LYS 144 Cb 0.27 -1.18 0.20 0.00 -1.84 0.00 0.00 35.03 32.48 3i1r n LYS 144 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3i1r s VAL 145 N -0.92 2.14 0.00 -0.18 -7.23 -1.06 -4.97 120.40 108.19 3i1r s VAL 145 Ca 0.15 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 3i1r s VAL 145 Cb 0.08 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.86 3i1r s VAL 145 CO 0.11 -0.06 0.18 0.47 -0.31 0.00 0.00 175.10 175.49 3i1r n ASP 146 N -4.52 0.00 0.00 4.85 9.92 -1.26 -5.11 116.55 120.43 3i1r n ASP 146 Ca 0.07 -1.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.33 3i1r n ASP 146 Cb 0.54 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 3i1r n ASP 146 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3i1r n ARG 147 N 0.00 0.00 0.10 -1.24 3.00 -1.26 -5.01 116.66 112.24 3i1r n ARG 147 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 3i1r n ARG 147 Cb 0.37 0.00 0.20 0.00 0.00 0.00 0.00 32.46 33.03 3i1r n ARG 147 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 3i1r h VAL 148 N 2.22 1.33 0.00 5.15 -1.51 -2.01 -3.45 116.25 117.98 3i1r h VAL 148 Ca 0.00 -1.64 0.00 0.00 -1.23 0.00 0.00 66.70 63.83 3i1r h VAL 148 Cb 0.00 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 3i1r h VAL 148 CO 0.00 0.49 0.00 -1.14 -1.23 0.00 0.00 177.57 175.69 3i1r n ARG 149 N -3.98 0.00 -0.74 5.19 0.63 -1.26 -3.18 116.66 113.31 3i1r n ARG 149 Ca -0.02 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.00 3i1r n ARG 149 Cb 0.51 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.38 3i1r n ARG 149 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1r n GLY 150 N 0.00 -2.95 3.37 5.14 0.00 -1.26 -4.49 105.19 105.00 3i1r n GLY 150 Ca 0.00 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 3i1r n GLY 150 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i1r s LEU 151 N -5.73 1.09 -0.09 0.99 0.05 -1.26 -4.75 118.68 108.98 3i1r s LEU 151 Ca 0.00 -1.42 -0.02 0.00 0.05 0.00 0.00 54.13 52.74 3i1r s LEU 151 Cb 0.00 0.97 0.04 0.00 -2.05 0.00 0.00 46.19 45.15 3i1r s LEU 151 CO 0.00 -1.07 0.05 1.51 -0.55 0.00 0.00 176.35 176.28 3i1r s ASP 152 N -3.20 1.67 0.33 1.48 3.84 -0.96 -0.41 116.67 119.42 3i1r s ASP 152 Ca 0.34 -0.19 -0.02 0.00 -0.00 0.00 0.00 52.55 52.68 3i1r s ASP 152 Cb 0.03 -0.29 -0.04 0.00 -1.38 0.00 0.00 42.92 41.23 3i1r s ASP 152 CO 0.17 -0.26 0.56 0.27 -0.00 0.00 0.00 175.17 175.92 3i1r s ILE 153 N 2.08 5.06 -0.08 2.11 -5.25 -1.02 -2.14 121.20 121.97 3i1r s ILE 153 Ca 0.04 -0.21 -0.04 0.00 -0.99 0.00 0.00 60.65 59.45 3i1r s ILE 153 Cb -0.13 -3.81 0.04 0.00 2.95 0.00 0.00 42.46 41.50 3i1r s ILE 153 CO -0.05 -0.48 0.18 0.42 -1.79 0.00 0.00 174.94 173.22 3i1r s THR 154 N -2.25 -0.04 -0.16 8.37 -4.23 1.00 -1.42 115.64 116.92 3i1r s THR 154 Ca 0.42 0.13 -0.15 0.00 -1.18 0.00 0.00 61.69 60.91 3i1r s THR 154 Cb -0.10 -0.29 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 3i1r s THR 154 CO 0.34 0.05 0.35 -0.63 -0.54 0.00 0.00 174.62 174.20 3i1r s ILE 155 N 0.98 5.26 -0.29 2.99 1.01 -1.26 -1.54 121.20 128.36 3i1r s ILE 155 Ca -0.07 0.67 -0.06 0.00 0.00 0.00 0.00 60.65 61.19 3i1r s ILE 155 Cb -0.09 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.70 3i1r s ILE 155 CO -0.06 0.35 0.05 -0.89 0.00 0.00 0.00 174.94 174.40 3i1r s THR 156 N 0.66 3.73 0.12 2.92 2.01 0.61 -0.83 115.64 124.86 3i1r s THR 156 Ca 0.19 -0.78 0.10 0.00 0.31 0.00 0.00 61.69 61.51 3i1r s THR 156 Cb -0.14 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 3i1r s THR 156 CO 0.06 0.09 -0.25 0.42 -0.69 0.00 0.00 174.62 174.26 3i1r s THR 157 N 1.46 2.05 -2.00 -0.82 -4.23 -1.07 -0.63 115.64 110.40 3i1r s THR 157 Ca 0.02 -1.68 0.01 0.00 -1.18 0.00 0.00 61.69 58.86 3i1r s THR 157 Cb -0.17 -1.83 0.03 0.00 1.34 0.00 0.00 72.50 71.86 3i1r s THR 157 CO 0.01 0.03 0.48 0.35 -0.54 0.00 0.00 174.62 174.95 3i1r n THR 158 N 0.96 0.00 -2.20 3.99 -2.24 -0.98 -4.73 114.28 109.08 3i1r n THR 158 Ca -0.18 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.23 3i1r n THR 158 Cb 0.53 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3i1r n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1r s ALA 159 N -2.00 2.84 -0.18 6.98 0.00 -1.26 -4.76 121.76 123.38 3i1r s ALA 159 Ca 0.02 0.94 -0.19 0.00 0.00 0.00 0.00 51.96 52.73 3i1r s ALA 159 Cb 0.01 -3.40 -0.16 0.00 0.00 0.00 0.00 23.12 19.58 3i1r s ALA 159 CO 0.01 -0.79 0.20 0.87 0.00 0.00 0.00 175.76 176.06 3i1r h LYS 160 N 1.66 0.00 -6.06 0.00 6.56 -1.87 -3.37 116.57 113.49 3i1r h LYS 160 Ca -0.50 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 58.55 3i1r h LYS 160 Cb 1.26 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.89 3i1r h LYS 160 CO 0.59 0.72 -0.45 -1.54 -2.06 0.00 0.00 179.45 176.71 3i1r s SER 161 N -6.43 6.35 0.49 0.86 1.04 -1.26 -4.26 113.70 110.49 3i1r s SER 161 Ca -0.22 0.21 0.28 0.00 0.48 0.00 0.00 55.95 56.70 3i1r s SER 161 Cb 0.03 -1.93 1.00 0.00 0.10 0.00 0.00 66.02 65.22 3i1r s SER 161 CO 0.49 0.05 1.85 -2.24 0.98 0.00 0.00 173.24 174.36 3i1r h ASP 162 N 2.18 0.00 -0.97 7.02 3.04 -1.87 -1.30 116.42 124.52 3i1r h ASP 162 Ca -0.48 0.00 0.16 0.00 -3.24 0.00 0.00 57.03 53.47 3i1r h ASP 162 Cb 1.19 0.00 -0.16 0.00 -1.04 0.00 0.00 39.33 39.32 3i1r h ASP 162 CO 0.69 0.07 -0.37 -0.08 -2.04 0.00 0.00 179.24 177.52 3i1r h GLU 163 N 0.00 -0.01 0.05 4.15 4.57 -1.94 0.36 114.58 121.76 3i1r h GLU 163 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3i1r h GLU 163 Cb 0.70 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 3i1r h GLU 163 CO 0.01 -0.01 -0.02 0.93 -1.18 0.00 0.00 179.01 178.74 3i1r h GLU 164 N -0.01 -0.06 -0.90 1.92 5.08 -1.67 -3.10 114.58 115.83 3i1r h GLU 164 Ca 0.36 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.94 3i1r h GLU 164 Cb 0.61 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.75 3i1r h GLU 164 CO -0.97 0.54 0.41 0.78 -1.00 0.00 0.00 179.01 178.76 3i1r h GLY 165 N -0.75 1.56 0.88 -3.84 0.00 -0.97 0.19 103.07 100.13 3i1r h GLY 165 Ca -0.01 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.15 3i1r h GLY 165 CO 0.01 -0.26 -0.04 -0.09 0.00 0.00 0.00 176.54 176.16 3i1r h ARG 166 N 0.42 -0.06 -0.50 4.80 2.43 -0.34 -0.83 114.38 120.28 3i1r h ARG 166 Ca 0.56 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.83 3i1r h ARG 166 Cb 1.06 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 3i1r h ARG 166 CO -0.52 -0.04 0.34 0.00 -1.51 0.00 0.00 179.97 178.24 3i1r h ALA 167 N 0.94 2.10 0.47 2.80 0.00 -0.67 0.31 119.26 125.21 3i1r h ALA 167 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3i1r h ALA 167 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i1r h ALA 167 CO -0.05 -0.21 -0.23 1.25 0.00 0.00 0.00 179.25 180.01 3i1r h LEU 168 N 0.28 -0.54 -1.78 0.00 5.85 0.46 -2.26 115.31 117.33 3i1r h LEU 168 Ca 0.23 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3i1r h LEU 168 Cb 0.54 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 3i1r h LEU 168 CO -0.05 -0.14 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.70 3i1r h LEU 169 N -1.03 0.00 -1.76 2.25 4.07 -1.03 -1.34 115.31 116.47 3i1r h LEU 169 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3i1r h LEU 169 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 3i1r h LEU 169 CO 0.11 0.13 0.00 0.00 -1.08 0.00 0.00 178.44 177.60 3i1r h ALA 170 N 1.87 1.00 0.03 1.53 0.00 -0.24 -2.82 119.26 120.62 3i1r h ALA 170 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 3i1r h ALA 170 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3i1r h ALA 170 CO 0.02 0.00 -1.03 0.00 0.00 0.00 0.00 179.25 178.24 3i1r h ALA 171 N 2.03 0.32 -2.22 0.00 0.00 -0.63 -3.42 119.26 115.33 3i1r h ALA 171 Ca 0.00 -0.89 -0.48 0.00 0.00 0.00 0.00 54.91 53.55 3i1r h ALA 171 Cb 0.35 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i1r h ALA 171 CO 0.00 1.17 0.24 -0.06 0.00 0.00 0.00 179.25 180.59 3i1r s PHE 172 N -2.75 3.41 0.31 0.00 0.40 -1.06 -4.92 117.98 113.36 3i1r s PHE 172 Ca -0.00 1.33 0.18 0.00 -0.60 0.00 0.00 56.93 57.84 3i1r s PHE 172 Cb 0.09 -2.66 1.11 0.00 0.51 0.00 0.00 43.02 42.08 3i1r s PHE 172 CO 0.83 -0.14 1.29 -0.25 0.70 0.00 0.00 175.22 177.65 3i1r n ASP 173 N -1.01 0.28 0.00 1.36 8.00 -1.26 -4.81 116.55 119.10 3i1r n ASP 173 Ca 0.05 1.34 0.00 0.00 0.71 0.00 0.00 54.79 56.88 3i1r n ASP 173 Cb 0.54 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 3i1r n ASP 173 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3i1r n PHE 174 N -4.80 0.00 0.00 1.24 -0.00 -1.25 -4.81 117.46 107.84 3i1r n PHE 174 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.76 3i1r n PHE 174 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.55 3i1r n PHE 174 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3i1r n PRO 175 N 0.15 0.00 -0.97 -7.13 -0.02 -1.26 -4.80 135.00 120.97 3i1r n PRO 175 Ca 0.00 0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 3i1r n PRO 175 Cb 0.00 -0.59 -0.03 0.00 -0.02 0.00 0.00 33.50 32.86 3i1r n PRO 175 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3i1r n PHE 176 N -0.56 -3.09 0.32 6.00 3.01 -1.26 -4.83 117.46 117.05 3i1r n PHE 176 Ca 0.00 1.21 0.03 0.00 1.01 0.00 0.00 57.45 59.70 3i1r n PHE 176 Cb 0.00 -2.23 0.15 0.00 -0.01 0.00 0.00 39.48 37.40 3i1r n PHE 176 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64