#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ir4 s ASN -1 N 0.00 -0.02 -0.27 -3.46 2.20 -1.26 -5.14 114.94 106.99 3ir4 s ASN -1 Ca 0.00 -0.77 0.02 0.00 -0.94 0.00 0.00 52.86 51.17 3ir4 s ASN -1 Cb 0.00 0.46 0.07 0.00 -2.00 0.00 0.00 41.25 39.78 3ir4 s ASN -1 CO 0.00 -0.92 -0.04 0.00 -2.94 0.00 0.00 177.10 173.20 3ir4 s ALA 0 N -3.94 2.32 0.00 3.54 0.00 -1.26 -5.05 121.76 117.37 3ir4 s ALA 0 Ca 0.15 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.35 3ir4 s ALA 0 Cb 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.54 3ir4 s ALA 0 CO -0.01 -1.33 0.00 1.63 0.00 0.00 0.00 175.76 176.05 3ir4 n LYS 2 N 4.52 0.00 -4.85 0.00 5.02 -0.93 -4.71 118.16 117.21 3ir4 n LYS 2 Ca -0.09 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.88 3ir4 n LYS 2 Cb 0.43 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.30 3ir4 n LYS 2 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ir4 s LEU 3 N 0.00 2.72 -0.20 -0.35 1.43 -0.13 -0.31 118.68 121.83 3ir4 s LEU 3 Ca 0.00 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3ir4 s LEU 3 Cb 0.00 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 3ir4 s LEU 3 CO 0.00 0.26 -0.02 -0.31 0.23 0.00 0.00 176.35 176.51 3ir4 s TYR 4 N -0.24 3.00 0.19 0.29 1.51 -0.06 -0.12 117.35 121.93 3ir4 s TYR 4 Ca 0.01 -0.56 -0.06 0.00 -1.01 0.00 0.00 57.07 55.45 3ir4 s TYR 4 Cb -0.13 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 3ir4 s TYR 4 CO 0.03 -0.29 0.25 0.96 -1.11 0.00 0.00 175.55 175.38 3ir4 s ILE 5 N 1.01 0.03 -0.13 2.71 -4.36 -0.50 -1.89 121.20 118.07 3ir4 s ILE 5 Ca 0.01 -1.68 -0.02 0.00 -0.26 0.00 0.00 60.65 58.70 3ir4 s ILE 5 Cb -0.14 -2.18 -0.02 0.00 1.25 0.00 0.00 42.46 41.36 3ir4 s ILE 5 CO 0.01 -0.15 -0.07 -0.31 0.24 0.00 0.00 174.94 174.66 3ir4 s TYR 6 N -4.06 2.94 0.31 1.37 2.02 -1.26 -1.33 117.35 117.34 3ir4 s TYR 6 Ca 0.27 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3ir4 s TYR 6 Cb 0.04 -1.88 0.48 0.00 -0.40 0.00 0.00 41.96 40.20 3ir4 s TYR 6 CO 0.07 -0.05 1.98 -0.44 -1.57 0.00 0.00 175.55 175.53 3ir4 h ASP 7 N 6.51 0.91 0.93 2.29 3.32 -1.97 -2.47 116.42 125.94 3ir4 h ASP 7 Ca -0.31 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3ir4 h ASP 7 Cb 1.20 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.52 3ir4 h ASP 7 CO 0.59 0.66 0.00 1.12 -1.72 0.00 0.00 179.24 179.89 3ir4 h HIS 8 N 1.07 0.00 -3.02 4.55 2.07 -1.98 -3.45 115.15 114.39 3ir4 h HIS 8 Ca 0.29 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 57.25 3ir4 h HIS 8 Cb -0.12 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.82 3ir4 h HIS 8 CO -0.00 0.00 0.80 0.00 -3.07 0.00 0.00 177.93 175.66 3ir4 h PRO 10 N 7.76 0.19 -0.53 0.00 0.13 -1.89 -1.96 132.00 135.71 3ir4 h PRO 10 Ca -0.27 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.76 3ir4 h PRO 10 Cb 1.11 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 3ir4 h PRO 10 CO 0.94 0.27 0.05 0.74 -0.23 0.00 0.00 178.00 179.77 3ir4 h PHE 11 N 0.19 0.89 -0.54 1.56 -1.00 -1.92 -0.82 116.94 115.30 3ir4 h PHE 11 Ca 0.04 -0.11 -0.09 0.00 2.81 0.00 0.00 57.97 60.62 3ir4 h PHE 11 Cb 0.23 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 3ir4 h PHE 11 CO 0.00 0.79 -0.02 0.00 -1.61 0.00 0.00 178.31 177.47 3ir4 h VAL 13 N 0.86 1.17 -0.41 0.00 2.07 -0.91 -1.63 116.25 117.40 3ir4 h VAL 13 Ca 0.16 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 67.35 3ir4 h VAL 13 Cb 0.53 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 3ir4 h VAL 13 CO 0.03 0.18 -0.02 0.11 0.02 0.00 0.00 177.57 177.89 3ir4 h LYS 14 N 0.78 0.08 0.00 1.57 1.57 -0.95 -1.85 116.57 117.78 3ir4 h LYS 14 Ca 0.21 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3ir4 h LYS 14 Cb -0.01 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3ir4 h LYS 14 CO -0.04 0.05 -0.16 0.00 -0.57 0.00 0.00 179.45 178.73 3ir4 h ALA 15 N 1.37 1.71 0.00 3.86 0.00 -0.96 -3.38 119.26 121.86 3ir4 h ALA 15 Ca 0.20 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3ir4 h ALA 15 Cb 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3ir4 h ALA 15 CO -0.35 0.21 -0.10 0.54 0.00 0.00 0.00 179.25 179.54 3ir4 n ARG 16 N -4.32 1.17 0.00 0.00 1.74 -0.66 -4.56 116.66 110.04 3ir4 n ARG 16 Ca -0.02 -0.38 0.00 0.00 -0.77 0.00 0.00 57.85 56.67 3ir4 n ARG 16 Cb 0.23 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 3ir4 n ARG 16 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3ir4 n ILE 18 N 2.10 0.00 -0.19 0.55 2.08 -1.26 -2.79 119.36 119.85 3ir4 n ILE 18 Ca 0.17 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.45 3ir4 n ILE 18 Cb 0.55 0.00 0.08 0.00 -0.75 0.00 0.00 39.64 39.52 3ir4 n ILE 18 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 3ir4 h PHE 19 N 0.00 0.44 -0.14 1.39 0.04 -1.85 -1.08 116.94 115.74 3ir4 h PHE 19 Ca 0.00 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3ir4 h PHE 19 Cb 0.00 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.03 3ir4 h PHE 19 CO 0.00 0.17 -0.04 0.78 -0.60 0.00 0.00 178.31 178.62 3ir4 h GLY 20 N 0.46 0.30 1.67 -1.45 0.00 -1.62 -0.31 103.07 102.11 3ir4 h GLY 20 Ca 0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 3ir4 h GLY 20 CO -0.23 0.22 0.05 1.41 0.00 0.00 0.00 176.54 177.99 3ir4 h LEU 21 N -0.03 0.39 -1.91 3.11 3.38 -1.43 -2.63 115.31 116.18 3ir4 h LEU 21 Ca 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ir4 h LEU 21 Cb 0.46 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ir4 h LEU 21 CO 0.01 0.42 0.00 0.29 0.09 0.00 0.00 178.44 179.25 3ir4 n LYS 22 N -4.35 2.31 -3.79 1.13 5.02 -0.43 -4.98 118.16 113.07 3ir4 n LYS 22 Ca 0.01 -1.91 -0.27 0.00 -2.02 0.00 0.00 58.31 54.13 3ir4 n LYS 22 Cb 0.19 -1.46 0.04 0.00 -0.02 0.00 0.00 35.03 33.77 3ir4 n LYS 22 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ir4 n ASN 23 N 1.30 -4.24 -4.64 4.39 3.02 -0.48 -4.98 115.26 109.64 3ir4 n ASN 23 Ca 0.15 -0.73 -0.38 0.00 -0.03 0.00 0.00 54.58 53.58 3ir4 n ASN 23 Cb 0.59 -4.21 -0.08 0.00 -0.61 0.00 0.00 39.78 35.47 3ir4 n ASN 23 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ir4 s ILE 24 N -3.38 5.22 0.58 2.41 1.01 -0.25 -5.04 121.20 121.75 3ir4 s ILE 24 Ca 0.48 0.56 -0.20 0.00 0.00 0.00 0.00 60.65 61.49 3ir4 s ILE 24 Cb -0.23 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 3ir4 s ILE 24 CO 0.80 0.23 1.29 -2.65 0.00 0.00 0.00 174.94 174.61 3ir4 n PRO 25 N 4.79 1.41 -3.74 2.79 -0.02 -1.26 -4.62 135.00 134.35 3ir4 n PRO 25 Ca -0.10 0.53 -0.13 0.00 -2.02 0.00 0.00 63.50 61.79 3ir4 n PRO 25 Cb 0.51 -2.51 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 3ir4 n PRO 25 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ir4 s VAL 26 N -1.34 -0.00 -0.42 -1.45 0.11 -1.26 -4.96 120.40 111.07 3ir4 s VAL 26 Ca 0.76 0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 59.64 3ir4 s VAL 26 Cb -0.41 -0.53 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 3ir4 s VAL 26 CO 0.46 0.01 0.52 -0.70 -3.33 0.00 0.00 175.10 172.06 3ir4 s GLU 27 N 0.37 3.21 0.22 1.54 2.12 -1.26 -4.97 118.70 119.92 3ir4 s GLU 27 Ca -0.01 -0.57 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 3ir4 s GLU 27 Cb -0.04 -3.95 -0.08 0.00 0.26 0.00 0.00 34.13 30.32 3ir4 s GLU 27 CO -0.01 -0.89 0.95 -0.51 -0.54 0.00 0.00 175.26 174.25 3ir4 s LEU 28 N 2.41 4.62 -0.22 2.70 1.43 -1.26 -0.96 118.68 127.40 3ir4 s LEU 28 Ca 0.17 1.93 -0.03 0.00 -1.03 0.00 0.00 54.13 55.17 3ir4 s LEU 28 Cb -0.16 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.53 3ir4 s LEU 28 CO 0.16 0.11 0.06 0.20 0.23 0.00 0.00 176.35 177.11 3ir4 s ASN 29 N -0.96 3.16 -0.19 2.29 0.01 0.83 -4.92 114.94 115.16 3ir4 s ASN 29 Ca 0.42 -1.01 -0.24 0.00 -0.71 0.00 0.00 52.86 51.32 3ir4 s ASN 29 Cb -0.26 -0.60 -0.01 0.00 0.41 0.00 0.00 41.25 40.79 3ir4 s ASN 29 CO 0.32 -0.34 0.79 -0.69 -1.51 0.00 0.00 177.10 175.67 3ir4 s VAL 30 N 1.85 4.90 0.22 1.60 1.01 -1.26 -1.40 120.40 127.31 3ir4 s VAL 30 Ca 0.02 1.53 -0.14 0.00 0.00 0.00 0.00 61.98 63.39 3ir4 s VAL 30 Cb -0.17 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 3ir4 s VAL 30 CO -0.14 0.02 0.60 -0.76 0.00 0.00 0.00 175.10 174.82 3ir4 s LEU 31 N 2.29 4.23 0.41 3.92 1.43 -0.44 -4.89 118.68 125.63 3ir4 s LEU 31 Ca 0.35 1.10 -0.27 0.00 -1.03 0.00 0.00 54.13 54.29 3ir4 s LEU 31 Cb -0.16 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 3ir4 s LEU 31 CO 0.11 -0.02 1.45 -1.10 0.23 0.00 0.00 176.35 177.02 3ir4 s GLN 32 N -2.43 3.92 0.54 1.70 -1.52 -1.26 -4.35 119.66 116.26 3ir4 s GLN 32 Ca 0.45 2.49 0.29 0.00 -1.95 0.00 0.00 55.36 56.63 3ir4 s GLN 32 Cb -0.13 -2.82 1.53 0.00 -0.22 0.00 0.00 33.01 31.37 3ir4 s GLN 32 CO 0.20 -0.66 2.09 -0.97 -0.25 0.00 0.00 175.29 175.70 3ir4 h ASN 33 N 2.69 0.00 -0.45 5.90 -0.73 -1.16 -1.42 115.58 120.41 3ir4 h ASN 33 Ca -0.51 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.66 3ir4 h ASN 33 Cb 1.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.84 3ir4 h ASN 33 CO 0.63 0.10 0.00 -0.90 -0.37 0.00 0.00 177.43 176.88 3ir4 n ASP 34 N -3.55 2.76 -4.48 1.15 3.85 -1.26 -4.87 116.55 110.15 3ir4 n ASP 34 Ca -0.02 -1.95 -0.43 0.00 -0.71 0.00 0.00 54.79 51.68 3ir4 n ASP 34 Cb 0.23 -0.30 -0.04 0.00 -1.35 0.00 0.00 41.12 39.66 3ir4 n ASP 34 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3ir4 s ASP 35 N -1.17 6.20 0.03 -1.12 2.15 -0.54 -4.83 116.67 117.39 3ir4 s ASP 35 Ca 0.36 -0.92 -0.12 0.00 0.43 0.00 0.00 52.55 52.30 3ir4 s ASP 35 Cb 0.19 -2.45 -0.33 0.00 -0.30 0.00 0.00 42.92 40.03 3ir4 s ASP 35 CO 0.26 -1.52 0.98 -0.08 -0.17 0.00 0.00 175.17 174.63 3ir4 h GLU 36 N 9.65 0.44 -0.57 4.34 4.81 -1.89 -3.40 114.58 127.96 3ir4 h GLU 36 Ca -0.26 -0.76 -0.03 0.00 -0.13 0.00 0.00 59.36 58.19 3ir4 h GLU 36 Cb 1.06 0.28 -0.03 0.00 0.63 0.00 0.00 28.75 30.70 3ir4 h GLU 36 CO 1.21 1.35 0.25 0.00 -0.73 0.00 0.00 179.01 181.09 3ir4 h ALA 37 N 0.27 0.74 0.54 2.92 0.00 -1.98 -2.38 119.26 119.36 3ir4 h ALA 37 Ca -0.24 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3ir4 h ALA 37 Cb 2.11 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.68 3ir4 h ALA 37 CO 0.24 0.33 -0.26 1.15 0.00 0.00 0.00 179.25 180.71 3ir4 h THR 38 N 0.78 0.40 -0.16 0.00 2.02 -1.99 -0.77 112.91 113.19 3ir4 h THR 38 Ca 0.19 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 3ir4 h THR 38 Cb 0.17 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3ir4 h THR 38 CO -0.02 0.04 -0.12 1.55 0.37 0.00 0.00 175.52 177.34 3ir4 h PRO 39 N -0.92 0.26 -0.56 6.66 0.13 -1.78 -2.54 132.00 133.25 3ir4 h PRO 39 Ca -0.07 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.96 3ir4 h PRO 39 Cb 0.62 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.69 3ir4 h PRO 39 CO 0.12 0.39 0.21 1.15 -0.23 0.00 0.00 178.00 179.65 3ir4 h THR 40 N 0.25 1.21 0.00 1.56 2.02 -1.23 -0.80 112.91 115.91 3ir4 h THR 40 Ca 0.05 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3ir4 h THR 40 Cb 0.37 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3ir4 h THR 40 CO 0.02 0.26 0.00 -1.14 0.37 0.00 0.00 175.52 175.03 3ir4 n ARG 41 N -4.32 0.36 0.00 6.66 3.00 -0.31 -0.51 116.66 121.53 3ir4 n ARG 41 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 3ir4 n ARG 41 Cb 0.17 -1.20 0.00 0.00 0.00 0.00 0.00 32.46 31.43 3ir4 n ARG 41 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3ir4 n ILE 43 N 0.38 0.00 -0.67 5.15 -5.35 -0.31 -5.10 119.36 113.47 3ir4 n ILE 43 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3ir4 n ILE 43 Cb 0.10 -0.99 0.00 0.00 -1.74 0.00 0.00 39.64 37.01 3ir4 n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ir4 n GLY 44 N -0.58 0.77 3.42 3.28 0.00 0.33 -5.01 105.19 107.40 3ir4 n GLY 44 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3ir4 n GLY 44 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ir4 s GLN 45 N -0.33 1.23 -0.21 1.61 -2.07 -1.26 -4.89 119.66 113.73 3ir4 s GLN 45 Ca 0.00 -0.84 -0.20 0.00 -1.82 0.00 0.00 55.36 52.51 3ir4 s GLN 45 Cb 0.00 0.48 -0.03 0.00 -1.09 0.00 0.00 33.01 32.38 3ir4 s GLN 45 CO 0.00 -0.50 0.58 0.21 -1.32 0.00 0.00 175.29 174.26 3ir4 s LYS 46 N -3.86 4.18 -0.08 9.60 2.20 -1.26 -3.12 119.74 127.40 3ir4 s LYS 46 Ca 0.08 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.90 3ir4 s LYS 46 Cb 0.01 -3.58 0.11 0.00 -1.51 0.00 0.00 37.83 32.85 3ir4 s LYS 46 CO -0.06 -0.23 0.92 0.14 -0.36 0.00 0.00 175.35 175.76 3ir4 s VAL 48 N 1.89 0.00 0.55 4.02 -7.23 -1.26 -5.06 120.40 113.31 3ir4 s VAL 48 Ca 0.26 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.27 3ir4 s VAL 48 Cb -0.16 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 35.72 3ir4 s VAL 48 CO 0.10 0.00 1.01 -2.16 -0.31 0.00 0.00 175.10 173.74 3ir4 s PRO 49 N -2.04 3.75 -0.08 4.82 0.04 -1.26 -4.75 135.00 135.48 3ir4 s PRO 49 Ca 0.01 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.05 3ir4 s PRO 49 Cb -0.01 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.45 3ir4 s PRO 49 CO -0.03 -0.44 -0.10 0.42 0.04 0.00 0.00 177.00 176.89 3ir4 s ILE 50 N -2.65 1.07 -0.12 0.56 1.01 -0.79 -3.79 121.20 116.48 3ir4 s ILE 50 Ca 0.60 -0.39 -0.13 0.00 0.00 0.00 0.00 60.65 60.72 3ir4 s ILE 50 Cb -0.11 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 3ir4 s ILE 50 CO 0.35 0.35 0.31 -0.22 0.00 0.00 0.00 174.94 175.74 3ir4 s LEU 51 N 1.05 4.32 -0.27 2.97 2.96 -0.19 -0.88 118.68 128.64 3ir4 s LEU 51 Ca -0.07 0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 54.36 3ir4 s LEU 51 Cb -0.15 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.10 3ir4 s LEU 51 CO -0.01 0.19 0.17 -1.58 -1.32 0.00 0.00 176.35 173.80 3ir4 s GLN 52 N -0.08 3.93 0.78 1.98 0.74 0.57 -0.25 119.66 127.33 3ir4 s GLN 52 Ca 0.19 -0.33 -0.12 0.00 0.05 0.00 0.00 55.36 55.15 3ir4 s GLN 52 Cb -0.14 -3.60 0.06 0.00 1.10 0.00 0.00 33.01 30.43 3ir4 s GLN 52 CO 0.06 -0.15 1.15 0.15 -0.55 0.00 0.00 175.29 175.96 3ir4 s LYS 53 N 1.64 2.20 0.48 1.67 1.02 0.02 -2.20 119.74 124.56 3ir4 s LYS 53 Ca 0.07 0.17 0.18 0.00 0.02 0.00 0.00 55.97 56.42 3ir4 s LYS 53 Cb -0.16 -1.98 1.19 0.00 -0.52 0.00 0.00 37.83 36.36 3ir4 s LYS 53 CO 0.09 -1.44 2.00 -0.44 -0.92 0.00 0.00 175.35 174.64 3ir4 h ASP 54 N -0.93 0.20 -0.03 2.83 3.32 -1.88 0.51 116.42 120.45 3ir4 h ASP 54 Ca -0.46 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3ir4 h ASP 54 Cb 1.31 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3ir4 h ASP 54 CO 0.65 0.12 0.00 -0.90 -1.72 0.00 0.00 179.24 177.39 3ir4 n ASP 55 N -4.44 0.33 0.00 6.45 5.75 -1.26 -4.90 116.55 118.48 3ir4 n ASP 55 Ca 0.09 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 3ir4 n ASP 55 Cb 0.45 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 3ir4 n ASP 55 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3ir4 n SER 56 N -0.58 0.00 -4.82 -1.12 7.64 0.17 -5.04 113.62 109.87 3ir4 n SER 56 Ca 0.15 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.72 3ir4 n SER 56 Cb 0.12 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.36 3ir4 n SER 56 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3ir4 s ARG 57 N -0.04 3.02 0.02 1.43 0.52 -1.26 -4.74 118.95 117.90 3ir4 s ARG 57 Ca 0.00 0.94 0.03 0.00 -0.52 0.00 0.00 55.73 56.18 3ir4 s ARG 57 Cb 0.00 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 3ir4 s ARG 57 CO 0.00 -1.03 -0.04 0.71 0.02 0.00 0.00 175.30 174.96 3ir4 s TYR 58 N -3.04 2.94 -0.17 -0.53 1.51 -1.26 -0.80 117.35 115.98 3ir4 s TYR 58 Ca 0.58 -0.02 -0.02 0.00 -1.01 0.00 0.00 57.07 56.61 3ir4 s TYR 58 Cb -0.14 -1.60 0.05 0.00 -0.11 0.00 0.00 41.96 40.16 3ir4 s TYR 58 CO 0.54 0.41 -0.00 -1.17 -1.11 0.00 0.00 175.55 174.23 3ir4 s LEU 59 N -1.63 1.36 0.00 -1.29 2.96 0.66 -4.98 118.68 115.76 3ir4 s LEU 59 Ca 0.19 -0.72 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 3ir4 s LEU 59 Cb -0.11 -0.72 0.16 0.00 0.50 0.00 0.00 46.19 46.02 3ir4 s LEU 59 CO 0.10 -0.25 1.05 -0.81 -1.32 0.00 0.00 176.35 175.12 3ir4 n PRO 60 N 4.98 -0.35 -1.07 0.98 -0.04 -1.26 -1.02 135.00 137.21 3ir4 n PRO 60 Ca -0.10 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.82 3ir4 n PRO 60 Cb 0.47 -0.80 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 3ir4 n PRO 60 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3ir4 n GLU 61 N -3.02 0.00 0.00 0.54 -0.58 -1.25 -4.49 120.64 111.84 3ir4 n GLU 61 Ca 0.16 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 3ir4 n GLU 61 Cb 0.58 -0.58 0.00 0.00 -0.57 0.00 0.00 31.44 30.86 3ir4 n GLU 61 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3ir4 n SER 62 N 0.00 0.00 0.00 1.62 3.41 -1.26 -1.28 113.62 116.11 3ir4 n SER 62 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ir4 n SER 62 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ir4 n SER 62 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ir4 n ASP 64 N 0.06 0.00 -0.00 4.04 8.00 -1.26 -0.95 116.55 126.43 3ir4 n ASP 64 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3ir4 n ASP 64 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3ir4 n ASP 64 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3ir4 h ILE 65 N 0.00 1.11 -0.24 0.53 2.04 -1.41 -1.08 117.51 118.45 3ir4 h ILE 65 Ca 0.00 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.61 3ir4 h ILE 65 Cb 0.00 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 3ir4 h ILE 65 CO 0.00 0.09 -0.24 0.58 0.00 0.00 0.00 178.15 178.58 3ir4 h VAL 66 N 0.00 0.39 -0.37 1.67 2.07 -1.30 -1.23 116.25 117.47 3ir4 h VAL 66 Ca 0.03 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.40 3ir4 h VAL 66 Cb 0.11 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3ir4 h VAL 66 CO -0.00 0.00 -0.35 0.45 0.02 0.00 0.00 177.57 177.69 3ir4 h HIS 67 N -0.25 1.00 -0.30 1.57 3.86 -1.82 -0.96 115.15 118.25 3ir4 h HIS 67 Ca 0.14 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3ir4 h HIS 67 Cb 0.46 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 3ir4 h HIS 67 CO -0.40 1.07 0.19 -0.92 0.86 0.00 0.00 177.93 178.73 3ir4 h TYR 68 N 0.70 0.38 -0.37 2.45 3.20 -0.94 -0.86 116.97 121.53 3ir4 h TYR 68 Ca 0.07 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 3ir4 h TYR 68 Cb 0.91 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 3ir4 h TYR 68 CO 0.05 0.26 -0.38 0.28 -1.64 0.00 0.00 178.16 176.73 3ir4 h VAL 69 N 0.40 1.28 -0.05 1.81 2.07 -1.20 -1.53 116.25 119.02 3ir4 h VAL 69 Ca 0.11 -1.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 3ir4 h VAL 69 Cb -0.03 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3ir4 h VAL 69 CO -0.02 0.52 -0.16 -0.78 0.02 0.00 0.00 177.57 177.14 3ir4 h ASP 70 N 0.71 0.08 0.48 0.57 3.58 -1.01 -3.04 116.42 117.79 3ir4 h ASP 70 Ca 0.06 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3ir4 h ASP 70 Cb 0.97 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.00 3ir4 h ASP 70 CO 0.09 0.25 -0.87 0.59 -2.88 0.00 0.00 179.24 176.42 3ir4 n ASN 71 N -4.31 0.63 -0.20 2.28 3.02 -0.34 -3.61 115.26 112.73 3ir4 n ASN 71 Ca -0.02 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 3ir4 n ASN 71 Cb 0.25 0.62 0.09 0.00 -0.61 0.00 0.00 39.78 40.13 3ir4 n ASN 71 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3ir4 h LEU 72 N 0.00 -0.31 -0.78 3.41 3.38 -1.15 -1.83 115.31 118.01 3ir4 h LEU 72 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ir4 h LEU 72 Cb 0.67 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3ir4 h LEU 72 CO 0.00 -0.13 0.00 -0.90 0.09 0.00 0.00 178.44 177.50 3ir4 n ASP 73 N -5.30 1.18 0.00 -0.43 3.85 -1.26 -4.91 116.55 109.69 3ir4 n ASP 73 Ca 0.08 -1.56 0.00 0.00 -0.71 0.00 0.00 54.79 52.61 3ir4 n ASP 73 Cb 0.34 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 3ir4 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ir4 n GLY 74 N 1.06 0.91 2.58 6.12 0.00 -0.69 -4.97 105.19 110.21 3ir4 n GLY 74 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3ir4 n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ir4 s LYS 75 N -0.15 1.40 0.55 1.61 2.20 -1.26 -5.08 119.74 119.01 3ir4 s LYS 75 Ca 0.00 -2.44 -0.21 0.00 -0.36 0.00 0.00 55.97 52.96 3ir4 s LYS 75 Cb 0.00 -2.11 -0.05 0.00 -1.51 0.00 0.00 37.83 34.16 3ir4 s LYS 75 CO 0.00 -1.33 1.26 -2.30 -0.36 0.00 0.00 175.35 172.63 3ir4 n PRO 76 N 2.70 1.49 0.11 4.03 -0.02 -1.24 -4.91 135.00 137.16 3ir4 n PRO 76 Ca 0.24 0.55 0.10 0.00 -2.02 0.00 0.00 63.50 62.37 3ir4 n PRO 76 Cb 0.42 -2.47 0.01 0.00 -0.02 0.00 0.00 33.50 31.44 3ir4 n PRO 76 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ir4 h LEU 77 N 1.22 0.00 -8.12 2.45 3.38 -1.97 -3.43 115.31 108.82 3ir4 h LEU 77 Ca -0.50 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 56.87 3ir4 h LEU 77 Cb 1.32 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.97 3ir4 h LEU 77 CO 0.56 0.10 1.47 -0.76 0.09 0.00 0.00 178.44 179.89 3ir4 s LEU 78 N -5.55 3.50 0.00 1.67 1.43 -1.26 -4.52 118.68 113.95 3ir4 s LEU 78 Ca 0.00 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.70 3ir4 s LEU 78 Cb 0.09 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.74 3ir4 s LEU 78 CO 0.78 -1.52 0.32 0.35 0.23 0.00 0.00 176.35 176.50 3ir4 n THR 79 N 6.85 0.00 -3.60 5.49 -2.24 -0.80 -4.97 114.28 115.01 3ir4 n THR 79 Ca 0.31 -0.48 -0.23 0.00 -2.27 0.00 0.00 64.05 61.39 3ir4 n THR 79 Cb 0.51 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.76 3ir4 n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3ir4 s GLY 80 N -0.31 1.32 0.79 3.38 0.00 0.25 -4.96 107.32 107.78 3ir4 s GLY 80 Ca 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 43.60 3ir4 s GLY 80 CO 0.00 -0.98 1.09 -1.59 0.00 0.00 0.00 173.10 171.62 3ir4 s LYS 81 N -4.15 2.11 0.21 2.90 -2.85 -1.26 -4.67 119.74 112.04 3ir4 s LYS 81 Ca 0.38 1.15 0.06 0.00 -1.00 0.00 0.00 55.97 56.56 3ir4 s LYS 81 Cb -0.09 -1.88 -0.04 0.00 -2.06 0.00 0.00 37.83 33.76 3ir4 s LYS 81 CO 0.33 -1.74 0.15 1.03 0.10 0.00 0.00 175.35 175.23 3ir4 s ARG 82 N -4.90 2.87 -0.26 1.78 0.52 -1.26 -4.77 118.95 112.93 3ir4 s ARG 82 Ca 0.62 -0.99 -0.03 0.00 -0.52 0.00 0.00 55.73 54.81 3ir4 s ARG 82 Cb -0.17 -2.58 0.02 0.00 0.52 0.00 0.00 34.95 32.74 3ir4 s ARG 82 CO 0.56 0.44 -0.03 1.21 0.02 0.00 0.00 175.30 177.50 3ir4 s ASN 83 N -3.46 4.49 0.50 0.23 3.84 -1.26 -4.99 114.94 114.28 3ir4 s ASN 83 Ca 0.32 -0.86 0.23 0.00 0.21 0.00 0.00 52.86 52.76 3ir4 s ASN 83 Cb -0.09 -1.71 1.30 0.00 -0.55 0.00 0.00 41.25 40.20 3ir4 s ASN 83 CO 0.24 -0.14 1.95 -0.65 -2.79 0.00 0.00 177.10 175.71 3ir4 h PRO 84 N 8.05 0.13 -0.48 0.43 0.11 -2.00 0.08 132.00 138.32 3ir4 h PRO 84 Ca -0.32 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.79 3ir4 h PRO 84 Cb 1.11 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3ir4 h PRO 84 CO 0.58 0.09 0.32 0.00 -0.21 0.00 0.00 178.00 178.77 3ir4 h ALA 85 N 1.68 1.67 -0.19 -0.75 0.00 -1.99 -1.63 119.26 118.06 3ir4 h ALA 85 Ca 0.32 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 3ir4 h ALA 85 Cb 1.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ir4 h ALA 85 CO -0.04 0.30 -0.43 0.82 0.00 0.00 0.00 179.25 179.90 3ir4 h ILE 86 N 0.64 1.33 -0.78 0.00 1.08 -1.40 -0.71 117.51 117.66 3ir4 h ILE 86 Ca 0.18 -1.67 0.03 0.00 -0.39 0.00 0.00 64.86 63.01 3ir4 h ILE 86 Cb -0.05 1.91 -0.05 0.00 -3.07 0.00 0.00 36.82 35.56 3ir4 h ILE 86 CO -0.04 0.52 0.50 -0.08 -0.69 0.00 0.00 178.15 178.36 3ir4 h GLU 87 N 0.29 0.95 -0.41 2.37 4.81 -1.36 -0.20 114.58 121.04 3ir4 h GLU 87 Ca -0.00 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 3ir4 h GLU 87 Cb 1.04 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 3ir4 h GLU 87 CO 0.09 0.63 -0.13 1.49 -0.73 0.00 0.00 179.01 180.36 3ir4 h GLU 88 N 0.98 0.81 -0.27 1.92 4.81 -1.20 -1.35 114.58 120.28 3ir4 h GLU 88 Ca 0.31 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3ir4 h GLU 88 Cb 0.00 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3ir4 h GLU 88 CO -0.11 0.95 0.10 2.35 -0.73 0.00 0.00 179.01 181.57 3ir4 h TRP 89 N 0.63 0.42 -0.75 0.92 7.01 -0.75 -1.78 115.95 121.65 3ir4 h TRP 89 Ca 0.10 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 3ir4 h TRP 89 Cb 0.67 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.57 3ir4 h TRP 89 CO 0.05 0.43 0.45 -0.07 -2.79 0.00 0.00 178.44 176.51 3ir4 h LEU 90 N 0.29 0.91 -0.89 0.65 3.38 -0.95 -0.62 115.31 118.08 3ir4 h LEU 90 Ca 0.09 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3ir4 h LEU 90 Cb 0.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3ir4 h LEU 90 CO -0.01 0.71 0.06 -0.09 0.09 0.00 0.00 178.44 179.21 3ir4 h ARG 91 N 1.03 0.88 0.13 1.13 2.43 -0.94 0.12 114.38 119.17 3ir4 h ARG 91 Ca 0.27 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3ir4 h ARG 91 Cb -0.02 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3ir4 h ARG 91 CO -0.05 0.84 -0.06 -0.22 -1.51 0.00 0.00 179.97 178.97 3ir4 h LYS 92 N 0.83 -0.17 -0.24 0.20 3.64 -1.01 -2.75 116.57 117.07 3ir4 h LYS 92 Ca 0.17 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3ir4 h LYS 92 Cb 0.41 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3ir4 h LYS 92 CO 0.01 0.11 -0.05 0.28 -2.27 0.00 0.00 179.45 177.53 3ir4 h VAL 93 N -0.44 1.28 0.00 2.00 2.07 -0.95 -2.33 116.25 117.87 3ir4 h VAL 93 Ca -0.02 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3ir4 h VAL 93 Cb 0.35 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3ir4 h VAL 93 CO 0.03 0.32 0.00 0.78 0.02 0.00 0.00 177.57 178.72 3ir4 h ASN 94 N 0.19 0.00 0.57 0.57 2.35 -0.86 -0.22 115.58 118.19 3ir4 h ASN 94 Ca 0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 3ir4 h ASN 94 Cb 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3ir4 h ASN 94 CO 0.02 0.00 -0.31 1.23 -1.65 0.00 0.00 177.43 176.72 3ir4 h GLY 95 N 0.05 0.00 0.00 2.83 0.00 -1.10 -3.36 103.07 101.50 3ir4 h GLY 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ir4 h GLY 95 CO 0.00 0.00 -0.55 1.58 0.00 0.00 0.00 176.54 177.57 3ir4 n TYR 96 N -3.75 0.00 0.27 5.60 4.11 -0.63 -4.84 117.16 117.91 3ir4 n TYR 96 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.01 3ir4 n TYR 96 Cb 0.41 0.00 0.75 0.00 -0.00 0.00 0.00 39.34 40.50 3ir4 n TYR 96 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.86 176.62 3ir4 h VAL 97 N 0.00 0.68 0.00 -3.48 3.04 -1.22 -1.86 116.25 113.41 3ir4 h VAL 97 Ca 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 3ir4 h VAL 97 Cb 0.00 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 3ir4 h VAL 97 CO 0.00 0.08 0.00 0.78 -1.01 0.00 0.00 177.57 177.42 3ir4 h ASN 98 N 0.00 0.00 0.39 3.17 2.35 -1.84 -0.40 115.58 119.24 3ir4 h ASN 98 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3ir4 h ASN 98 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3ir4 h ASN 98 CO 0.01 0.00 -0.21 1.56 -1.65 0.00 0.00 177.43 177.14 3ir4 h GLN 99 N 0.00 0.00 0.09 0.81 4.20 -1.72 -1.17 115.11 117.32 3ir4 h GLN 99 Ca 0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 3ir4 h GLN 99 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3ir4 h GLN 99 CO 0.00 0.21 -0.92 -0.07 -0.67 0.00 0.00 178.83 177.38 3ir4 h LEU 100 N 0.00 0.30 0.00 1.46 3.38 -1.31 -3.42 115.31 115.73 3ir4 h LEU 100 Ca -0.00 -0.88 -0.02 0.00 0.09 0.00 0.00 57.88 57.07 3ir4 h LEU 100 Cb 0.47 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ir4 h LEU 100 CO 0.03 1.41 -0.08 -0.07 0.09 0.00 0.00 178.44 179.82 3ir4 h LEU 101 N -0.53 0.06 -0.60 1.67 3.38 -1.03 -3.31 115.31 114.95 3ir4 h LEU 101 Ca -0.19 -0.83 0.01 0.00 0.09 0.00 0.00 57.88 56.95 3ir4 h LEU 101 Cb 1.53 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 3ir4 h LEU 101 CO 0.05 0.89 0.40 -0.07 0.09 0.00 0.00 178.44 179.80 3ir4 h LEU 102 N -0.75 0.69 -1.42 1.67 3.38 -1.49 0.16 115.31 117.54 3ir4 h LEU 102 Ca -0.01 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3ir4 h LEU 102 Cb 0.90 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3ir4 h LEU 102 CO 0.02 0.50 -0.12 -0.65 0.09 0.00 0.00 178.44 178.27 3ir4 h PRO 103 N 0.81 0.23 -0.03 1.13 0.11 -1.76 -1.74 132.00 130.75 3ir4 h PRO 103 Ca 0.22 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 66.06 3ir4 h PRO 103 Cb -0.09 -0.03 0.02 0.00 0.11 0.00 0.00 31.00 31.01 3ir4 h PRO 103 CO -0.05 0.36 -0.86 0.00 -0.21 0.00 0.00 178.00 177.24 3ir4 h ARG 104 N 0.22 0.63 -0.64 1.05 3.08 -1.44 -3.08 114.38 114.21 3ir4 h ARG 104 Ca 0.05 -0.64 0.10 0.00 0.07 0.00 0.00 59.98 59.56 3ir4 h ARG 104 Cb 0.35 0.17 -0.08 0.00 0.08 0.00 0.00 29.97 30.50 3ir4 h ARG 104 CO 0.02 1.24 0.24 0.74 -1.07 0.00 0.00 179.97 181.15 3ir4 h PHE 105 N 0.27 0.42 0.00 3.04 0.04 -0.46 -1.84 116.94 118.41 3ir4 h PHE 105 Ca -0.10 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 3ir4 h PHE 105 Cb 1.52 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 39.58 3ir4 h PHE 105 CO 0.11 0.10 -0.02 0.00 -0.60 0.00 0.00 178.31 177.91 3ir4 h ALA 106 N 1.44 1.04 -0.05 2.45 0.00 -1.31 -2.08 119.26 120.75 3ir4 h ALA 106 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3ir4 h ALA 106 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ir4 h ALA 106 CO -0.32 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.58 3ir4 n LYS 107 N -3.16 2.22 -4.16 0.00 5.02 -0.73 -5.03 118.16 112.32 3ir4 n LYS 107 Ca -0.01 -1.90 -0.23 0.00 -2.02 0.00 0.00 58.31 54.14 3ir4 n LYS 107 Cb 0.19 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 3ir4 n LYS 107 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3ir4 s SER 108 N -1.90 4.57 -1.07 4.39 0.01 -0.78 -5.05 113.70 113.87 3ir4 s SER 108 Ca 0.28 -0.82 -0.21 0.00 1.31 0.00 0.00 55.95 56.50 3ir4 s SER 108 Cb 0.19 -0.69 0.06 0.00 0.21 0.00 0.00 66.02 65.80 3ir4 s SER 108 CO 0.29 -0.28 1.47 0.00 0.41 0.00 0.00 173.24 175.13 3ir4 s ALA 109 N -2.44 2.91 -0.07 1.44 0.00 -1.26 -4.93 121.76 117.41 3ir4 s ALA 109 Ca 0.37 -2.45 0.06 0.00 0.00 0.00 0.00 51.96 49.93 3ir4 s ALA 109 Cb -0.02 -4.50 -0.01 0.00 0.00 0.00 0.00 23.12 18.59 3ir4 s ALA 109 CO 0.22 -3.48 -0.25 -0.06 0.00 0.00 0.00 175.76 172.19 3ir4 s PHE 110 N 4.55 2.47 0.49 0.00 0.08 -1.26 -5.04 117.98 119.27 3ir4 s PHE 110 Ca 0.46 -0.79 0.18 0.00 0.12 0.00 0.00 56.93 56.90 3ir4 s PHE 110 Cb 0.00 -1.63 1.21 0.00 -0.57 0.00 0.00 43.02 42.04 3ir4 s PHE 110 CO -0.06 -0.26 2.04 -0.44 -0.10 0.00 0.00 175.22 176.40 3ir4 h ASP 111 N 6.21 0.14 0.44 1.36 3.32 -1.96 0.01 116.42 125.94 3ir4 h ASP 111 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3ir4 h ASP 111 Cb 1.19 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3ir4 h ASP 111 CO 0.47 0.09 0.00 -1.84 -1.72 0.00 0.00 179.24 176.24 3ir4 n GLU 112 N -4.46 0.14 -0.47 3.56 0.00 -1.26 -1.81 120.64 116.33 3ir4 n GLU 112 Ca 0.05 0.46 0.09 0.00 0.00 0.00 0.00 57.16 57.76 3ir4 n GLU 112 Cb 0.34 -1.82 0.27 0.00 0.00 0.00 0.00 31.44 30.23 3ir4 n GLU 112 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3ir4 n PHE 113 N -2.08 1.01 0.18 -1.84 3.72 -0.01 -0.62 117.46 117.82 3ir4 n PHE 113 Ca 0.01 -0.87 0.04 0.00 -0.05 0.00 0.00 57.45 56.58 3ir4 n PHE 113 Cb 0.15 -0.33 0.46 0.00 -0.94 0.00 0.00 39.48 38.82 3ir4 n PHE 113 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ir4 h SER 114 N 1.93 0.09 -3.20 4.37 4.64 -1.40 -3.38 113.55 116.59 3ir4 h SER 114 Ca 0.00 -0.02 -0.58 0.00 -0.47 0.00 0.00 61.79 60.73 3ir4 h SER 114 Cb 1.48 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 63.50 3ir4 h SER 114 CO 0.24 0.26 -0.21 0.42 -0.87 0.00 0.00 176.83 176.67 3ir4 s THR 115 N -4.68 5.04 0.31 2.95 -4.23 -1.26 -4.98 115.64 108.79 3ir4 s THR 115 Ca -0.05 0.45 0.05 0.00 -1.18 0.00 0.00 61.69 60.97 3ir4 s THR 115 Cb 0.16 -3.65 0.30 0.00 1.34 0.00 0.00 72.50 70.65 3ir4 s THR 115 CO 0.71 0.19 1.82 -0.65 -0.54 0.00 0.00 174.62 176.15 3ir4 h PRO 116 N 3.38 0.80 -0.60 3.99 0.11 -2.00 -2.02 132.00 135.67 3ir4 h PRO 116 Ca -0.48 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3ir4 h PRO 116 Cb 1.19 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3ir4 h PRO 116 CO 0.68 0.53 0.29 0.00 -0.21 0.00 0.00 178.00 179.28 3ir4 h ALA 117 N 1.59 0.77 -0.69 -0.75 0.00 -1.93 -1.20 119.26 117.05 3ir4 h ALA 117 Ca 0.52 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 3ir4 h ALA 117 Cb 0.73 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3ir4 h ALA 117 CO -0.30 0.33 0.14 0.00 0.00 0.00 0.00 179.25 179.42 3ir4 h ALA 118 N 1.12 0.94 -0.34 0.00 0.00 -1.74 -1.20 119.26 118.05 3ir4 h ALA 118 Ca 0.20 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3ir4 h ALA 118 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ir4 h ALA 118 CO -0.03 0.67 -0.07 -0.09 0.00 0.00 0.00 179.25 179.73 3ir4 h ARG 119 N 1.05 0.64 -0.72 0.00 2.43 -1.21 -2.48 114.38 114.09 3ir4 h ARG 119 Ca 0.21 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3ir4 h ARG 119 Cb 0.41 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3ir4 h ARG 119 CO 0.01 0.81 0.39 0.37 -1.51 0.00 0.00 179.97 180.04 3ir4 h GLN 120 N 0.43 1.01 -0.54 0.20 4.15 -1.09 -1.87 115.11 117.40 3ir4 h GLN 120 Ca 0.09 -0.12 0.08 0.00 0.77 0.00 0.00 58.65 59.47 3ir4 h GLN 120 Cb 0.57 -0.20 -0.07 0.00 0.21 0.00 0.00 27.48 27.99 3ir4 h GLN 120 CO 0.03 0.76 0.17 -0.92 -1.93 0.00 0.00 178.83 176.94 3ir4 h TYR 121 N 1.00 0.29 -0.07 3.99 5.03 -1.05 -0.51 116.97 125.67 3ir4 h TYR 121 Ca 0.25 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.59 3ir4 h TYR 121 Cb 0.04 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 38.27 3ir4 h TYR 121 CO -0.00 0.06 0.03 0.35 -1.32 0.00 0.00 178.16 177.28 3ir4 h PHE 122 N 0.34 0.10 -0.10 -3.82 3.57 -1.09 -2.15 116.94 113.78 3ir4 h PHE 122 Ca 0.27 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.78 3ir4 h PHE 122 Cb 0.33 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3ir4 h PHE 122 CO -0.19 0.20 -0.01 0.82 -2.23 0.00 0.00 178.31 176.91 3ir4 h ILE 123 N -0.03 0.92 -0.38 1.41 2.04 -1.02 -1.46 117.51 118.99 3ir4 h ILE 123 Ca 0.02 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.88 3ir4 h ILE 123 Cb 0.14 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3ir4 h ILE 123 CO -0.00 0.00 0.24 0.03 0.00 0.00 0.00 178.15 178.42 3ir4 h ARG 124 N 0.03 0.48 -0.34 2.37 3.08 -1.07 -0.39 114.38 118.53 3ir4 h ARG 124 Ca 0.05 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3ir4 h ARG 124 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3ir4 h ARG 124 CO -0.09 0.32 0.11 -0.22 -1.07 0.00 0.00 179.97 179.01 3ir4 h LYS 125 N 0.49 0.53 -0.24 0.04 3.64 -1.15 -2.17 116.57 117.71 3ir4 h LYS 125 Ca 0.15 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 3ir4 h LYS 125 Cb -0.03 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3ir4 h LYS 125 CO -0.05 0.56 -0.42 0.87 -2.27 0.00 0.00 179.45 178.13 3ir4 h LYS 126 N 0.39 0.71 0.00 1.90 1.79 -1.12 -3.07 116.57 117.18 3ir4 h LYS 126 Ca 0.11 -0.45 -0.04 0.00 -2.18 0.00 0.00 60.65 58.09 3ir4 h LYS 126 Cb 0.25 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 3ir4 h LYS 126 CO -0.00 1.07 -0.21 0.93 -1.08 0.00 0.00 179.45 180.16 3ir4 h GLU 127 N 0.44 0.00 0.00 3.15 5.08 -1.05 -0.24 114.58 121.95 3ir4 h GLU 127 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3ir4 h GLU 127 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3ir4 h GLU 127 CO 0.10 0.21 0.00 0.00 -1.00 0.00 0.00 179.01 178.31 3ir4 n ALA 128 N -2.35 2.46 0.00 3.43 0.00 -0.82 -3.17 120.51 120.07 3ir4 n ALA 128 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3ir4 n ALA 128 Cb 0.31 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3ir4 n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ir4 n SER 129 N -1.17 3.23 0.00 0.00 3.41 -0.68 -4.90 113.62 113.51 3ir4 n SER 129 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3ir4 n SER 129 Cb 0.17 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3ir4 n SER 129 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ir4 n SER 130 N -2.06 1.46 0.00 4.04 3.41 -0.19 -5.12 113.62 115.15 3ir4 n SER 130 Ca 0.00 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 3ir4 n SER 130 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3ir4 n SER 130 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ir4 n GLY 131 N -0.36 -3.15 3.69 5.00 0.00 -1.19 -5.00 105.19 104.18 3ir4 n GLY 131 Ca 0.00 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 3ir4 n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ir4 s SER 132 N -1.02 6.86 0.20 1.61 0.15 -1.26 -4.30 113.70 115.94 3ir4 s SER 132 Ca 0.00 2.10 -0.10 0.00 0.70 0.00 0.00 55.95 58.65 3ir4 s SER 132 Cb 0.00 -2.56 0.14 0.00 -1.71 0.00 0.00 66.02 61.88 3ir4 s SER 132 CO 0.00 -0.71 1.80 -0.26 1.20 0.00 0.00 173.24 175.27 3ir4 h PHE 133 N 7.77 1.04 -0.64 3.44 0.04 -1.95 -1.60 116.94 125.05 3ir4 h PHE 133 Ca -0.38 -0.05 -0.09 0.00 2.80 0.00 0.00 57.97 60.26 3ir4 h PHE 133 Cb 1.18 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 3ir4 h PHE 133 CO 0.75 0.76 0.05 -0.44 -0.60 0.00 0.00 178.31 178.83 3ir4 h ASP 134 N 1.02 1.05 -0.20 2.17 3.32 -1.99 0.56 116.42 122.35 3ir4 h ASP 134 Ca 0.25 -0.27 0.02 0.00 0.02 0.00 0.00 57.03 57.05 3ir4 h ASP 134 Cb 0.10 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3ir4 h ASP 134 CO -0.03 1.07 0.06 -1.13 -1.72 0.00 0.00 179.24 177.48 3ir4 h ASN 135 N 1.00 0.05 -0.58 6.45 -0.73 -1.91 -1.14 115.58 118.73 3ir4 h ASN 135 Ca 0.19 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 3ir4 h ASN 135 Cb 0.50 0.02 -0.03 0.00 0.27 0.00 0.00 38.32 39.09 3ir4 h ASN 135 CO 0.02 0.06 0.28 0.45 -0.37 0.00 0.00 177.43 177.87 3ir4 h HIS 136 N 0.15 0.85 -0.64 0.67 3.86 -0.99 -2.44 115.15 116.60 3ir4 h HIS 136 Ca 0.09 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3ir4 h HIS 136 Cb 0.07 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 3ir4 h HIS 136 CO -0.13 0.65 0.32 -0.07 0.86 0.00 0.00 177.93 179.57 3ir4 h LEU 137 N 0.80 0.81 -1.76 2.43 3.38 -0.69 -1.91 115.31 118.36 3ir4 h LEU 137 Ca 0.20 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ir4 h LEU 137 Cb 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3ir4 h LEU 137 CO -0.02 0.67 0.00 0.00 0.09 0.00 0.00 178.44 179.18 3ir4 h ALA 138 N 1.45 1.00 -0.55 1.53 0.00 -0.79 -2.12 119.26 119.78 3ir4 h ALA 138 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ir4 h ALA 138 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ir4 h ALA 138 CO -0.03 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.94 3ir4 n HIS 139 N -3.07 1.31 -0.37 0.00 8.25 -0.73 -4.63 115.22 115.99 3ir4 n HIS 139 Ca -0.00 -0.51 0.02 0.00 -0.26 0.00 0.00 57.72 56.96 3ir4 n HIS 139 Cb 0.25 -0.23 0.16 0.00 1.12 0.00 0.00 29.99 31.30 3ir4 n HIS 139 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3ir4 h SER 140 N 3.48 1.05 -0.06 0.41 0.02 -1.26 -2.41 113.55 114.79 3ir4 h SER 140 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3ir4 h SER 140 Cb 1.31 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3ir4 h SER 140 CO 0.22 0.68 -0.01 0.00 -1.14 0.00 0.00 176.83 176.57 3ir4 h ALA 141 N 1.44 0.04 -0.65 3.77 0.00 -1.84 0.19 119.26 122.21 3ir4 h ALA 141 Ca 0.42 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 3ir4 h ALA 141 Cb 0.12 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3ir4 h ALA 141 CO -0.16 -0.49 0.10 0.78 0.00 0.00 0.00 179.25 179.47 3ir4 h GLY 142 N -0.00 1.15 1.05 0.00 0.00 -1.89 -1.84 103.07 101.53 3ir4 h GLY 142 Ca 0.03 -0.76 -0.08 0.00 0.00 0.00 0.00 47.33 46.52 3ir4 h GLY 142 CO -0.06 0.70 0.03 1.41 0.00 0.00 0.00 176.54 178.62 3ir4 h LEU 143 N 1.00 0.97 -0.74 3.11 3.38 -1.01 -1.03 115.31 121.00 3ir4 h LEU 143 Ca 0.20 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3ir4 h LEU 143 Cb 0.44 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3ir4 h LEU 143 CO 0.01 1.02 0.33 0.40 0.09 0.00 0.00 178.44 180.30 3ir4 h ILE 144 N 0.89 1.24 -0.49 1.22 2.04 -0.50 -1.20 117.51 120.71 3ir4 h ILE 144 Ca 0.17 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 3ir4 h ILE 144 Cb 0.51 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3ir4 h ILE 144 CO 0.02 0.30 0.10 0.50 0.00 0.00 0.00 178.15 179.07 3ir4 h LYS 145 N 1.04 0.79 -0.65 2.37 3.64 -1.12 -0.87 116.57 121.78 3ir4 h LYS 145 Ca 0.25 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3ir4 h LYS 145 Cb 0.15 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3ir4 h LYS 145 CO -0.03 0.78 0.36 -0.22 -2.27 0.00 0.00 179.45 178.07 3ir4 h LYS 146 N 0.67 0.90 -0.10 1.90 3.64 -0.88 -0.78 116.57 121.92 3ir4 h LYS 146 Ca 0.15 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3ir4 h LYS 146 Cb 0.35 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3ir4 h LYS 146 CO 0.00 0.68 0.07 0.82 -2.27 0.00 0.00 179.45 178.75 3ir4 h ILE 147 N 0.89 1.04 -0.64 2.00 1.08 -1.14 -1.58 117.51 119.16 3ir4 h ILE 147 Ca 0.23 -0.07 0.12 0.00 -0.39 0.00 0.00 64.86 64.74 3ir4 h ILE 147 Cb 0.03 0.90 -0.09 0.00 -3.07 0.00 0.00 36.82 34.59 3ir4 h ILE 147 CO -0.04 0.03 0.19 1.23 -0.69 0.00 0.00 178.15 178.87 3ir4 h GLY 148 N 0.13 0.87 0.98 5.37 0.00 -0.81 0.21 103.07 109.83 3ir4 h GLY 148 Ca 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 3ir4 h GLY 148 CO -0.01 -0.09 0.19 -0.55 0.00 0.00 0.00 176.54 176.08 3ir4 h ASP 149 N 0.33 0.37 -0.69 0.19 3.32 -0.83 -2.25 116.42 116.87 3ir4 h ASP 149 Ca 0.34 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 3ir4 h ASP 149 Cb 0.49 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3ir4 h ASP 149 CO -0.38 0.32 0.29 0.44 -1.72 0.00 0.00 179.24 178.18 3ir4 h ASP 150 N 0.40 0.96 0.14 6.45 3.32 -0.23 -2.42 116.42 125.04 3ir4 h ASP 150 Ca 0.11 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3ir4 h ASP 150 Cb 0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3ir4 h ASP 150 CO -0.02 0.85 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.12 3ir4 h LEU 151 N 1.03 0.04 -1.21 1.55 3.38 -0.36 -2.28 115.31 117.47 3ir4 h LEU 151 Ca 0.24 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3ir4 h LEU 151 Cb 0.19 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3ir4 h LEU 151 CO -0.02 0.21 0.08 0.03 0.09 0.00 0.00 178.44 178.84 3ir4 h ARG 152 N 0.05 0.63 -0.06 1.13 3.08 -0.89 -0.45 114.38 117.88 3ir4 h ARG 152 Ca 0.01 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 3ir4 h ARG 152 Cb 0.32 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3ir4 h ARG 152 CO 0.02 0.59 -0.18 1.25 -1.07 0.00 0.00 179.97 180.58 3ir4 h LEU 153 N 0.61 0.26 -1.01 3.04 5.85 -1.48 -3.24 115.31 119.35 3ir4 h LEU 153 Ca 0.14 -0.62 0.17 0.00 0.84 0.00 0.00 57.88 58.41 3ir4 h LEU 153 Cb 0.26 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.12 3ir4 h LEU 153 CO -0.00 0.83 0.62 0.25 -0.34 0.00 0.00 178.44 179.80 3ir4 h LEU 154 N -0.30 0.84 -0.99 2.25 5.85 -1.11 -0.99 115.31 120.85 3ir4 h LEU 154 Ca -0.01 0.08 0.18 0.00 0.84 0.00 0.00 57.88 58.98 3ir4 h LEU 154 Cb 0.81 -0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.66 3ir4 h LEU 154 CO 0.04 0.35 0.60 -0.78 -0.34 0.00 0.00 178.44 178.31 3ir4 h ASP 155 N 0.84 0.78 1.17 1.25 3.58 -1.10 0.32 116.42 123.26 3ir4 h ASP 155 Ca 0.55 0.10 0.00 0.00 0.42 0.00 0.00 57.03 58.10 3ir4 h ASP 155 Cb 0.77 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.77 3ir4 h ASP 155 CO -0.34 0.28 0.00 0.29 -2.88 0.00 0.00 179.24 176.59 3ir4 n LYS 156 N -4.77 0.24 -0.00 0.28 5.02 -0.38 -3.65 118.16 114.90 3ir4 n LYS 156 Ca 0.23 0.31 0.10 0.00 -2.02 0.00 0.00 58.31 56.93 3ir4 n LYS 156 Cb 0.55 -1.85 -0.15 0.00 -0.02 0.00 0.00 35.03 33.57 3ir4 n LYS 156 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ir4 n LEU 157 N -2.28 0.11 -4.64 -0.35 4.77 0.04 -4.89 117.00 109.77 3ir4 n LEU 157 Ca 0.04 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.63 3ir4 n LEU 157 Cb 0.35 0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 3ir4 n LEU 157 CO 0.26 0.00 1.16 -0.63 -1.33 0.00 0.00 177.39 176.85 3ir4 s ILE 158 N -3.45 4.09 0.05 -0.08 1.01 -0.84 -4.78 121.20 117.20 3ir4 s ILE 158 Ca -0.07 1.25 -0.18 0.00 0.00 0.00 0.00 60.65 61.65 3ir4 s ILE 158 Cb 0.13 -4.04 -0.14 0.00 0.01 0.00 0.00 42.46 38.41 3ir4 s ILE 158 CO 0.89 -0.37 1.31 0.58 0.00 0.00 0.00 174.94 177.35 3ir4 h VAL 159 N 5.89 1.35 -3.11 2.92 2.07 -1.04 -3.48 116.25 120.86 3ir4 h VAL 159 Ca -0.28 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 65.71 3ir4 h VAL 159 Cb 1.11 1.95 -0.09 0.00 -1.52 0.00 0.00 31.29 32.74 3ir4 h VAL 159 CO 1.01 0.47 0.15 0.00 0.02 0.00 0.00 177.57 179.22 3ir4 s GLN 160 N -4.05 1.49 0.34 1.57 -2.07 -1.14 -4.95 119.66 110.85 3ir4 s GLN 160 Ca -0.13 -0.78 0.26 0.00 -1.82 0.00 0.00 55.36 52.89 3ir4 s GLN 160 Cb 0.06 0.57 1.11 0.00 -1.09 0.00 0.00 33.01 33.66 3ir4 s GLN 160 CO 0.80 -0.66 1.79 -1.35 -1.32 0.00 0.00 175.29 174.55 3ir4 h PRO 161 N 2.07 0.00 -0.33 9.60 0.11 -1.90 -2.71 132.00 138.84 3ir4 h PRO 161 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3ir4 h PRO 161 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3ir4 h PRO 161 CO 0.33 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.39 3ir4 n ASN 162 N -2.47 2.87 -3.22 -2.05 6.94 -1.26 -4.45 115.26 111.63 3ir4 n ASN 162 Ca 0.01 -1.92 0.04 0.00 -0.02 0.00 0.00 54.58 52.70 3ir4 n ASN 162 Cb 0.24 -0.22 -0.03 0.00 -2.36 0.00 0.00 39.78 37.41 3ir4 n ASN 162 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ir4 s ALA 163 N -1.01 -3.21 0.43 -2.53 0.00 -1.02 -4.60 121.76 109.82 3ir4 s ALA 163 Ca 0.24 1.66 0.10 0.00 0.00 0.00 0.00 51.96 53.97 3ir4 s ALA 163 Cb 0.13 -2.34 0.95 0.00 0.00 0.00 0.00 23.12 21.86 3ir4 s ALA 163 CO 0.17 -1.24 2.04 -0.24 0.00 0.00 0.00 175.76 176.49 3ir4 h VAL 164 N 5.34 1.02 -0.34 0.00 3.04 -1.86 -1.86 116.25 121.59 3ir4 h VAL 164 Ca -0.14 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3ir4 h VAL 164 Cb 1.15 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 3ir4 h VAL 164 CO -0.02 0.09 0.00 0.59 -1.01 0.00 0.00 177.57 177.22 3ir4 n ASN 165 N -4.48 3.02 0.00 3.17 3.02 -1.26 -0.65 115.26 118.08 3ir4 n ASN 165 Ca 0.05 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 3ir4 n ASN 165 Cb 0.18 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 3ir4 n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ir4 n GLY 166 N 0.96 3.01 3.11 7.41 0.00 -0.71 -4.91 105.19 114.06 3ir4 n GLY 166 Ca 0.14 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 3ir4 n GLY 166 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ir4 s GLU 167 N 0.00 1.63 0.23 1.61 2.56 -1.26 -4.76 118.70 118.71 3ir4 s GLU 167 Ca 0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 54.97 54.10 3ir4 s GLU 167 Cb 0.00 -1.43 -0.14 0.00 2.00 0.00 0.00 34.13 34.56 3ir4 s GLU 167 CO 0.00 0.22 1.32 -0.11 -0.56 0.00 0.00 175.26 176.13 3ir4 n LEU 168 N 3.17 2.66 -4.13 2.70 7.94 -1.26 -4.20 117.00 123.89 3ir4 n LEU 168 Ca -0.18 1.15 -0.14 0.00 -1.11 0.00 0.00 56.01 55.72 3ir4 n LEU 168 Cb 0.53 -1.37 -0.06 0.00 0.53 0.00 0.00 43.42 43.05 3ir4 n LEU 168 CO 0.25 -0.74 0.04 -0.94 -1.11 0.00 0.00 177.39 174.89 3ir4 s SER 169 N 0.15 0.77 0.62 1.96 1.04 -1.26 -0.59 113.70 116.40 3ir4 s SER 169 Ca 0.68 -1.43 0.40 0.00 0.48 0.00 0.00 55.95 56.08 3ir4 s SER 169 Cb -0.70 0.58 2.02 0.00 0.10 0.00 0.00 66.02 68.03 3ir4 s SER 169 CO 0.51 -1.15 2.23 -0.33 0.98 0.00 0.00 173.24 175.48 3ir4 h GLU 170 N 2.22 0.00 -0.46 4.02 3.07 -1.90 -1.01 114.58 120.52 3ir4 h GLU 170 Ca -0.29 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.57 3ir4 h GLU 170 Cb 1.24 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.13 3ir4 h GLU 170 CO 0.40 0.00 0.26 -0.44 -1.40 0.00 0.00 179.01 177.84 3ir4 h ASP 171 N 0.00 0.55 -0.65 1.42 3.32 -1.95 -1.40 116.42 117.71 3ir4 h ASP 171 Ca -0.00 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3ir4 h ASP 171 Cb 0.20 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3ir4 h ASP 171 CO 0.00 0.44 0.15 0.44 -1.72 0.00 0.00 179.24 178.55 3ir4 h ASP 172 N 0.64 0.99 -0.85 6.45 3.32 -1.58 0.34 116.42 125.72 3ir4 h ASP 172 Ca 0.17 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3ir4 h ASP 172 Cb -0.00 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 3ir4 h ASP 172 CO -0.03 0.97 0.51 0.40 -1.72 0.00 0.00 179.24 179.37 3ir4 h ILE 173 N 0.96 1.24 0.07 0.35 1.08 -1.35 -1.79 117.51 118.07 3ir4 h ILE 173 Ca 0.20 -0.52 -0.24 0.00 -0.39 0.00 0.00 64.86 63.91 3ir4 h ILE 173 Cb 0.37 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 3ir4 h ILE 173 CO 0.00 0.25 -1.12 0.45 -0.69 0.00 0.00 178.15 177.04 3ir4 h HIS 174 N 1.16 0.28 0.04 1.37 3.86 -1.10 -3.39 115.15 117.38 3ir4 h HIS 174 Ca 0.30 -0.20 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 3ir4 h HIS 174 Cb -0.05 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.42 3ir4 h HIS 174 CO -0.00 1.15 -0.26 1.25 0.86 0.00 0.00 177.93 180.93 3ir4 h LEU 175 N 0.05 0.16 -0.67 2.43 5.85 -0.77 -3.37 115.31 118.98 3ir4 h LEU 175 Ca -0.08 -0.95 0.11 0.00 0.84 0.00 0.00 57.88 57.80 3ir4 h LEU 175 Cb 1.86 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.76 3ir4 h LEU 175 CO 0.17 1.10 0.27 0.15 -0.34 0.00 0.00 178.44 179.78 3ir4 h PHE 176 N -0.75 0.46 -0.95 1.25 3.57 -1.52 -2.19 116.94 116.81 3ir4 h PHE 176 Ca -0.04 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.52 3ir4 h PHE 176 Cb 1.17 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 3ir4 h PHE 176 CO 0.24 0.11 0.62 -1.35 -2.23 0.00 0.00 178.31 175.70 3ir4 h PRO 177 N 0.45 1.17 -0.18 6.41 0.11 -1.75 0.16 132.00 138.36 3ir4 h PRO 177 Ca 0.35 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 3ir4 h PRO 177 Cb 0.45 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3ir4 h PRO 177 CO -0.33 0.78 0.10 1.25 -0.21 0.00 0.00 178.00 179.58 3ir4 h LEU 178 N 1.21 0.23 -1.00 2.35 5.85 -1.57 -0.52 115.31 121.86 3ir4 h LEU 178 Ca 0.37 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 3ir4 h LEU 178 Cb -0.01 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3ir4 h LEU 178 CO -0.11 0.25 0.10 -0.07 -0.34 0.00 0.00 178.44 178.27 3ir4 h LEU 179 N 0.19 0.77 -0.31 2.25 3.38 -0.90 -0.55 115.31 120.14 3ir4 h LEU 179 Ca 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3ir4 h LEU 179 Cb 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ir4 h LEU 179 CO -0.01 0.78 0.12 -0.09 0.09 0.00 0.00 178.44 179.33 3ir4 h ARG 180 N 0.78 0.47 0.00 1.13 1.12 -0.53 -2.63 114.38 114.73 3ir4 h ARG 180 Ca 0.17 -0.09 -0.08 0.00 -1.11 0.00 0.00 59.98 58.87 3ir4 h ARG 180 Cb 0.33 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.21 3ir4 h ARG 180 CO 0.00 0.49 -0.38 -0.91 -3.11 0.00 0.00 179.97 176.07 3ir4 h ASN 181 N 0.35 0.00 0.49 -3.80 2.35 -0.73 -2.32 115.58 111.92 3ir4 h ASN 181 Ca 0.10 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3ir4 h ASN 181 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 3ir4 h ASN 181 CO -0.01 0.38 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.05 3ir4 h LEU 182 N 0.00 0.00 -0.45 1.61 3.38 -0.75 -1.91 115.31 117.19 3ir4 h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ir4 h LEU 182 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3ir4 h LEU 182 CO 0.05 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.96 3ir4 n THR 183 N -3.21 1.05 0.49 0.22 -2.24 -0.87 -1.29 114.28 108.42 3ir4 n THR 183 Ca -0.01 0.33 0.13 0.00 -2.27 0.00 0.00 64.05 62.22 3ir4 n THR 183 Cb 0.20 -1.21 0.44 0.00 -2.10 0.00 0.00 70.33 67.66 3ir4 n THR 183 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3ir4 h LEU 184 N 0.00 0.00 -8.21 3.22 5.85 -1.50 -3.20 115.31 111.47 3ir4 h LEU 184 Ca 0.00 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 58.03 3ir4 h LEU 184 Cb 0.24 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 41.08 3ir4 h LEU 184 CO 0.00 0.00 0.19 -0.69 -0.34 0.00 0.00 178.44 177.60 3ir4 s VAL 185 N -3.22 4.73 0.27 1.05 1.01 -0.42 -1.20 120.40 122.63 3ir4 s VAL 185 Ca 0.07 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 3ir4 s VAL 185 Cb 0.10 -4.50 -0.11 0.00 0.00 0.00 0.00 36.38 31.88 3ir4 s VAL 185 CO 0.53 -1.14 1.55 0.00 0.00 0.00 0.00 175.10 176.03 3ir4 s ALA 186 N 2.94 3.72 0.00 5.51 0.00 -0.32 -3.66 121.76 129.95 3ir4 s ALA 186 Ca 0.14 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.58 3ir4 s ALA 186 Cb -0.22 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.28 3ir4 s ALA 186 CO 0.08 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3ir4 n GLY 187 N 2.31 1.78 3.76 0.00 0.00 -1.26 -4.90 105.19 106.88 3ir4 n GLY 187 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3ir4 n GLY 187 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ir4 s ILE 188 N -2.11 3.00 -0.40 -0.61 1.01 -1.24 -5.00 121.20 115.85 3ir4 s ILE 188 Ca 0.00 0.94 -0.21 0.00 0.00 0.00 0.00 60.65 61.38 3ir4 s ILE 188 Cb 0.00 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.88 3ir4 s ILE 188 CO 0.00 0.20 0.69 -1.00 0.00 0.00 0.00 174.94 174.83 3ir4 s HIS 189 N -0.77 3.09 -0.33 3.97 3.76 -1.26 -5.05 115.29 118.70 3ir4 s HIS 189 Ca 0.50 0.23 -0.14 0.00 -0.15 0.00 0.00 55.06 55.51 3ir4 s HIS 189 Cb -0.37 -3.33 -0.02 0.00 1.11 0.00 0.00 32.58 29.96 3ir4 s HIS 189 CO 0.46 -0.78 0.28 -1.58 -0.85 0.00 0.00 174.74 172.28 3ir4 s TRP 190 N 2.90 3.22 0.77 1.40 0.52 -1.26 -4.72 118.94 121.78 3ir4 s TRP 190 Ca 0.26 -0.07 -0.13 0.00 0.02 0.00 0.00 56.10 56.18 3ir4 s TRP 190 Cb -0.14 -2.54 0.06 0.00 -1.15 0.00 0.00 33.47 29.71 3ir4 s TRP 190 CO 0.18 -0.35 1.14 -2.14 0.02 0.00 0.00 176.95 175.79 3ir4 s PRO 191 N 1.85 2.04 0.13 4.98 0.02 -1.26 -4.73 135.00 138.02 3ir4 s PRO 191 Ca 0.09 1.46 -0.23 0.00 0.02 0.00 0.00 61.00 62.34 3ir4 s PRO 191 Cb -0.17 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 3ir4 s PRO 191 CO 0.11 -1.85 1.65 1.15 -0.33 0.00 0.00 177.00 177.73 3ir4 h THR 192 N -0.84 0.50 -0.26 0.99 2.02 -1.97 -0.13 112.91 113.21 3ir4 h THR 192 Ca -0.45 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.61 3ir4 h THR 192 Cb 1.26 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3ir4 h THR 192 CO 0.49 0.00 -0.33 0.11 0.37 0.00 0.00 175.52 176.16 3ir4 h LYS 193 N -0.26 0.54 -0.18 6.66 1.57 -1.92 -0.25 116.57 122.73 3ir4 h LYS 193 Ca 0.09 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3ir4 h LYS 193 Cb 0.40 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3ir4 h LYS 193 CO -0.27 0.80 0.05 0.28 -0.57 0.00 0.00 179.45 179.74 3ir4 h VAL 194 N 0.46 1.20 -0.75 0.50 2.07 -1.77 -1.27 116.25 116.69 3ir4 h VAL 194 Ca 0.05 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 3ir4 h VAL 194 Cb 0.80 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3ir4 h VAL 194 CO 0.06 0.20 0.46 0.00 0.02 0.00 0.00 177.57 178.31 3ir4 h ALA 195 N 0.86 0.96 -0.72 1.67 0.00 -0.81 -0.16 119.26 121.06 3ir4 h ALA 195 Ca 0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3ir4 h ALA 195 Cb 0.26 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3ir4 h ALA 195 CO 0.00 0.42 0.19 -0.44 0.00 0.00 0.00 179.25 179.42 3ir4 h ASP 196 N 1.03 1.08 0.00 0.00 3.32 -0.94 -0.19 116.42 120.71 3ir4 h ASP 196 Ca 0.27 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3ir4 h ASP 196 Cb -0.05 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.22 3ir4 h ASP 196 CO -0.05 1.02 -0.00 0.22 -1.72 0.00 0.00 179.24 178.71 3ir4 h TYR 197 N 1.08 -0.00 -0.40 4.55 5.03 -0.98 -1.11 116.97 125.14 3ir4 h TYR 197 Ca 0.23 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.61 3ir4 h TYR 197 Cb 0.36 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.57 3ir4 h TYR 197 CO 0.03 0.30 -0.03 -0.09 -1.32 0.00 0.00 178.16 177.05 3ir4 h ARG 198 N -0.30 0.07 -0.30 1.82 2.43 -0.89 -2.95 114.38 114.26 3ir4 h ARG 198 Ca -0.00 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3ir4 h ARG 198 Cb 0.30 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3ir4 h ARG 198 CO 0.00 0.05 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.01 3ir4 h ASP 199 N 0.07 0.57 0.00 -3.80 3.32 -0.99 -1.70 116.42 113.89 3ir4 h ASP 199 Ca 0.20 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3ir4 h ASP 199 Cb 0.29 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3ir4 h ASP 199 CO -0.35 0.79 0.00 -3.20 -1.72 0.00 0.00 179.24 174.76 3ir4 n ASN 200 N -4.50 0.78 0.00 6.45 5.15 -0.42 -2.31 115.26 120.41 3ir4 n ASN 200 Ca -0.03 -0.71 0.00 0.00 -0.60 0.00 0.00 54.58 53.24 3ir4 n ASN 200 Cb 0.31 -0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 3ir4 n ASN 200 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ir4 n ALA 202 N 0.62 0.00 -0.15 5.20 0.00 -0.64 -0.89 120.51 124.65 3ir4 n ALA 202 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3ir4 n ALA 202 Cb 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.59 3ir4 n ALA 202 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3ir4 h LYS 203 N 0.00 0.77 0.01 0.00 3.64 -1.71 -1.08 116.57 118.21 3ir4 h LYS 203 Ca 0.00 -0.24 -0.20 0.00 -1.27 0.00 0.00 60.65 58.95 3ir4 h LYS 203 Cb 0.00 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3ir4 h LYS 203 CO 0.00 0.83 -0.90 1.96 -2.27 0.00 0.00 179.45 179.07 3ir4 h GLN 204 N 0.62 0.14 0.00 1.90 4.20 -1.30 -3.23 115.11 117.44 3ir4 h GLN 204 Ca 0.13 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3ir4 h GLN 204 Cb 0.46 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3ir4 h GLN 204 CO 0.02 0.94 -0.29 0.25 -0.67 0.00 0.00 178.83 179.08 3ir4 n THR 205 N -3.60 0.27 -2.53 -0.54 -2.24 -1.21 -3.07 114.28 101.36 3ir4 n THR 205 Ca -0.03 -0.16 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 3ir4 n THR 205 Cb 0.83 -0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.81 3ir4 n THR 205 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ir4 n GLN 206 N -1.89 -2.30 -4.68 -0.78 6.02 -0.46 -3.83 117.38 109.46 3ir4 n GLN 206 Ca 0.05 0.73 -0.33 0.00 -0.01 0.00 0.00 57.00 57.44 3ir4 n GLN 206 Cb 0.39 -5.10 -0.15 0.00 1.02 0.00 0.00 30.24 26.40 3ir4 n GLN 206 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3ir4 s ILE 207 N -2.88 2.79 0.42 5.09 1.01 -0.93 -5.03 121.20 121.67 3ir4 s ILE 207 Ca 0.10 -0.74 -0.24 0.00 0.00 0.00 0.00 60.65 59.77 3ir4 s ILE 207 Cb -0.04 -2.17 -0.08 0.00 0.01 0.00 0.00 42.46 40.18 3ir4 s ILE 207 CO 0.12 0.52 1.13 0.54 0.00 0.00 0.00 174.94 177.26 3ir4 s ASN 208 N 0.59 6.46 0.69 3.58 4.22 -1.26 -4.55 114.94 124.67 3ir4 s ASN 208 Ca -0.09 2.25 -0.10 0.00 -2.14 0.00 0.00 52.86 52.78 3ir4 s ASN 208 Cb -0.16 -2.60 0.02 0.00 1.28 0.00 0.00 41.25 39.79 3ir4 s ASN 208 CO 0.03 -0.71 1.05 -0.76 -2.04 0.00 0.00 177.10 174.67 3ir4 s LEU 209 N -2.72 2.94 0.00 3.54 1.43 -1.26 -5.02 118.68 117.59 3ir4 s LEU 209 Ca 0.60 0.95 0.11 0.00 -1.03 0.00 0.00 54.13 54.75 3ir4 s LEU 209 Cb -0.28 -3.71 0.27 0.00 0.03 0.00 0.00 46.19 42.50 3ir4 s LEU 209 CO 0.34 -1.35 1.20 0.18 0.23 0.00 0.00 176.35 176.95 3ir4 n LEU 210 N -2.93 2.77 0.28 1.79 4.77 -1.26 -4.68 117.00 117.73 3ir4 n LEU 210 Ca 0.06 -1.87 0.11 0.00 -0.03 0.00 0.00 56.01 54.29 3ir4 n LEU 210 Cb 0.58 -0.20 0.77 0.00 -2.33 0.00 0.00 43.42 42.24 3ir4 n LEU 210 CO 0.56 0.68 1.08 0.77 -1.33 0.00 0.00 177.39 179.15 3ir4 h SER 211 N 2.01 0.00 0.00 -1.43 4.64 -1.91 -2.96 113.55 113.90 3ir4 h SER 211 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ir4 h SER 211 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3ir4 h SER 211 CO 0.00 0.02 0.00 -1.54 -0.87 0.00 0.00 176.83 174.44 3ir4 n SER 212 N -4.16 0.63 0.00 4.97 3.41 -1.26 -4.93 113.62 112.28 3ir4 n SER 212 Ca -0.03 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 3ir4 n SER 212 Cb 0.10 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ir4 n SER 212 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ir4 n ALA 214 N 0.89 0.00 -1.11 7.33 0.00 -1.12 -5.22 120.51 121.28 3ir4 n ALA 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ir4 n ALA 214 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3ir4 n ALA 214 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94