#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3il3 s ASN 2 N 0.00 1.75 -0.21 7.83 0.01 -0.36 -4.56 114.94 119.40 3il3 s ASN 2 Ca 0.00 -0.52 -0.20 0.00 -0.71 0.00 0.00 52.86 51.43 3il3 s ASN 2 Cb 0.00 -0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.54 3il3 s ASN 2 CO 0.00 0.01 0.60 -0.44 -1.51 0.00 0.00 177.10 175.76 3il3 s SER 3 N -1.35 6.64 -0.01 -1.22 0.01 -1.26 -0.65 113.70 115.86 3il3 s SER 3 Ca 0.01 0.77 0.06 0.00 1.31 0.00 0.00 55.95 58.10 3il3 s SER 3 Cb -0.09 -2.33 -0.01 0.00 0.21 0.00 0.00 66.02 63.80 3il3 s SER 3 CO 0.02 -0.27 -0.18 0.00 0.41 0.00 0.00 173.24 173.22 3il3 s ARG 4 N 1.95 1.47 -0.11 12.44 1.70 0.22 -1.20 118.95 135.41 3il3 s ARG 4 Ca 0.27 -0.67 -0.29 0.00 -0.47 0.00 0.00 55.73 54.57 3il3 s ARG 4 Cb -0.16 -1.43 -0.06 0.00 -0.57 0.00 0.00 34.95 32.73 3il3 s ARG 4 CO 0.10 0.39 1.96 0.42 -1.08 0.00 0.00 175.30 177.09 3il3 s ILE 5 N -0.45 3.19 -0.10 4.99 1.01 -1.26 -2.54 121.20 126.04 3il3 s ILE 5 Ca 0.07 0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.81 3il3 s ILE 5 Cb -0.07 -3.19 -0.28 0.00 0.01 0.00 0.00 42.46 38.94 3il3 s ILE 5 CO -0.01 -0.07 0.53 0.25 0.00 0.00 0.00 174.94 175.64 3il3 h LEU 6 N 12.42 0.44 -7.00 2.97 6.46 -1.18 -3.49 115.31 125.92 3il3 h LEU 6 Ca -0.43 -0.88 0.04 0.00 -0.12 0.00 0.00 57.88 56.49 3il3 h LEU 6 Cb 1.22 -0.14 -0.14 0.00 -0.73 0.00 0.00 40.66 40.86 3il3 h LEU 6 CO 0.96 1.72 0.35 -0.55 -0.62 0.00 0.00 178.44 180.30 3il3 s SER 7 N -7.10 -0.48 0.09 1.25 0.15 -1.20 -4.78 113.70 101.63 3il3 s SER 7 Ca -0.20 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.50 3il3 s SER 7 Cb 0.05 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 3il3 s SER 7 CO 0.78 -0.78 -0.03 0.42 1.20 0.00 0.00 173.24 174.83 3il3 s THR 8 N -3.27 0.45 0.17 6.45 -4.23 -1.26 -1.04 115.64 112.91 3il3 s THR 8 Ca 0.02 -1.89 -0.23 0.00 -1.18 0.00 0.00 61.69 58.42 3il3 s THR 8 Cb -0.01 -1.69 0.06 0.00 1.34 0.00 0.00 72.50 72.20 3il3 s THR 8 CO -0.10 -0.85 0.64 -0.83 -0.54 0.00 0.00 174.62 172.94 3il3 s GLY 9 N -3.01 -0.52 0.07 3.99 0.00 0.11 -3.73 107.32 104.24 3il3 s GLY 9 Ca 0.12 0.37 -0.26 0.00 0.00 0.00 0.00 44.72 44.95 3il3 s GLY 9 CO -0.05 0.12 0.65 -1.35 0.00 0.00 0.00 173.10 172.47 3il3 s SER 10 N -2.77 -0.59 -0.12 1.64 1.04 -1.24 1.00 113.70 112.66 3il3 s SER 10 Ca 0.03 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.61 3il3 s SER 10 Cb -0.02 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.70 3il3 s SER 10 CO -0.09 -0.82 0.34 -0.47 0.98 0.00 0.00 173.24 173.18 3il3 s TYR 11 N -2.77 -0.37 -0.03 5.02 6.14 0.03 -4.50 117.35 120.88 3il3 s TYR 11 Ca -0.03 0.89 0.04 0.00 0.64 0.00 0.00 57.07 58.62 3il3 s TYR 11 Cb -0.01 0.13 -0.01 0.00 0.42 0.00 0.00 41.96 42.49 3il3 s TYR 11 CO -0.04 -0.18 -0.16 -0.51 0.64 0.00 0.00 175.55 175.30 3il3 s LEU 12 N 0.16 1.94 0.67 6.97 2.01 -1.26 -0.22 118.68 128.95 3il3 s LEU 12 Ca -0.00 -0.31 -0.17 0.00 0.01 0.00 0.00 54.13 53.66 3il3 s LEU 12 Cb -0.02 -0.87 -0.00 0.00 0.01 0.00 0.00 46.19 45.30 3il3 s LEU 12 CO 0.01 0.16 1.16 -2.65 1.01 0.00 0.00 176.35 176.04 3il3 n PRO 13 N 2.98 0.85 0.08 1.29 -0.02 -1.26 -4.90 135.00 134.02 3il3 n PRO 13 Ca -0.17 0.35 0.03 0.00 -2.02 0.00 0.00 63.50 61.69 3il3 n PRO 13 Cb 0.54 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 3il3 n PRO 13 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3il3 h SER 14 N 0.21 0.00 -3.32 2.55 4.64 -1.96 -3.41 113.55 112.26 3il3 h SER 14 Ca -0.49 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.30 3il3 h SER 14 Cb 1.34 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.50 3il3 h SER 14 CO 0.51 0.46 0.83 -2.28 -0.87 0.00 0.00 176.83 175.48 3il3 s HIS 15 N -3.00 2.88 -0.08 4.77 5.65 -1.26 -4.92 115.29 119.33 3il3 s HIS 15 Ca -0.00 0.87 -0.01 0.00 0.25 0.00 0.00 55.06 56.17 3il3 s HIS 15 Cb 0.08 -3.96 -0.03 0.00 -1.18 0.00 0.00 32.58 27.50 3il3 s HIS 15 CO 0.79 -3.19 -0.01 0.42 -0.65 0.00 0.00 174.74 172.09 3il3 s ILE 16 N 0.06 4.17 -0.16 0.89 1.01 -1.26 -1.00 121.20 124.90 3il3 s ILE 16 Ca 0.62 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.97 3il3 s ILE 16 Cb -0.45 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.28 3il3 s ILE 16 CO 0.45 0.60 -0.18 -0.60 0.00 0.00 0.00 174.94 175.21 3il3 s ARG 17 N -0.88 3.11 0.22 2.79 3.52 -0.12 -4.91 118.95 122.67 3il3 s ARG 17 Ca 0.13 -0.79 0.06 0.00 -0.13 0.00 0.00 55.73 54.99 3il3 s ARG 17 Cb -0.11 -2.59 -0.04 0.00 -1.56 0.00 0.00 34.95 30.65 3il3 s ARG 17 CO 0.02 -0.08 0.22 0.95 -0.81 0.00 0.00 175.30 175.61 3il3 s THR 18 N 1.02 4.72 0.46 4.11 -4.23 -1.26 -0.89 115.64 119.57 3il3 s THR 18 Ca -0.02 -1.16 0.24 0.00 -1.18 0.00 0.00 61.69 59.57 3il3 s THR 18 Cb -0.15 -3.51 0.43 0.00 1.34 0.00 0.00 72.50 70.62 3il3 s THR 18 CO -0.05 -0.26 1.84 0.78 -0.54 0.00 0.00 174.62 176.40 3il3 h ASN 19 N 1.73 0.26 -0.18 3.99 -0.26 -1.76 0.08 115.58 119.45 3il3 h ASN 19 Ca -0.49 0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.25 3il3 h ASN 19 Cb 1.22 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 38.47 3il3 h ASN 19 CO 0.62 0.08 -0.03 0.00 -1.06 0.00 0.00 177.43 177.04 3il3 h ALA 20 N 1.58 0.24 -0.73 -0.83 0.00 -1.93 -1.30 119.26 116.29 3il3 h ALA 20 Ca 0.50 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.25 3il3 h ALA 20 Cb 1.51 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 3il3 h ALA 20 CO -0.14 -0.01 0.48 -0.44 0.00 0.00 0.00 179.25 179.14 3il3 h ASP 21 N 0.05 0.64 0.28 0.00 3.45 -1.43 -2.03 116.42 117.38 3il3 h ASP 21 Ca 0.05 0.01 -0.13 0.00 0.43 0.00 0.00 57.03 57.38 3il3 h ASP 21 Cb 0.45 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 3il3 h ASP 21 CO 0.01 0.40 -0.51 -0.07 -1.57 0.00 0.00 179.24 177.50 3il3 h LEU 22 N 0.72 0.29 -2.74 1.55 3.38 -0.68 -2.50 115.31 115.32 3il3 h LEU 22 Ca 0.32 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3il3 h LEU 22 Cb 0.33 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3il3 h LEU 22 CO -0.11 0.75 -0.00 -0.33 0.09 0.00 0.00 178.44 178.84 3il3 h GLU 23 N 0.21 0.00 -0.02 1.13 5.08 -0.48 0.46 114.58 120.96 3il3 h GLU 23 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3il3 h GLU 23 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3il3 h GLU 23 CO 0.08 0.00 -0.13 1.63 -1.00 0.00 0.00 179.01 179.59 3il3 n LYS 24 N -3.18 1.52 -0.06 2.33 5.02 -0.94 -4.19 118.16 118.66 3il3 n LYS 24 Ca -0.03 -1.04 -0.05 0.00 -2.02 0.00 0.00 58.31 55.17 3il3 n LYS 24 Cb 0.10 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.53 3il3 n LYS 24 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3il3 n MET 25 N 0.17 1.84 -3.80 1.97 2.81 0.14 -5.06 117.12 115.20 3il3 n MET 25 Ca 0.15 -0.01 -0.10 0.00 -1.81 0.00 0.00 57.70 55.93 3il3 n MET 25 Cb 0.42 -1.32 -0.06 0.00 -0.71 0.00 0.00 33.22 31.55 3il3 n MET 25 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3il3 s VAL 26 N -2.35 0.08 -1.15 2.03 -7.23 -0.00 -4.77 120.40 107.01 3il3 s VAL 26 Ca -0.06 -0.98 -0.21 0.00 -1.81 0.00 0.00 61.98 58.92 3il3 s VAL 26 Cb 0.04 -1.44 -0.06 0.00 0.56 0.00 0.00 36.38 35.48 3il3 s VAL 26 CO 0.52 -0.38 1.91 -0.67 -0.31 0.00 0.00 175.10 176.16 3il3 n ASP 27 N -0.19 3.46 -4.04 4.85 4.64 -1.26 -4.45 116.55 119.55 3il3 n ASP 27 Ca -0.13 -2.76 -0.13 0.00 -1.38 0.00 0.00 54.79 50.40 3il3 n ASP 27 Cb 0.63 -1.61 -0.09 0.00 -1.04 0.00 0.00 41.12 39.01 3il3 n ASP 27 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 3il3 s THR 28 N 7.63 0.00 0.08 5.18 -1.32 -1.26 -5.05 115.64 120.89 3il3 s THR 28 Ca 0.61 -1.97 0.05 0.00 -1.21 0.00 0.00 61.69 59.18 3il3 s THR 28 Cb 0.05 -2.49 -0.03 0.00 -1.51 0.00 0.00 72.50 68.52 3il3 s THR 28 CO 0.10 0.00 -0.14 -0.94 -2.21 0.00 0.00 174.62 171.44 3il3 s SER 29 N -3.19 1.69 0.15 8.08 1.04 -1.26 -4.60 113.70 115.61 3il3 s SER 29 Ca 0.38 -0.66 -0.24 0.00 0.48 0.00 0.00 55.95 55.91 3il3 s SER 29 Cb 0.06 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.15 3il3 s SER 29 CO 0.14 -0.10 1.60 -0.78 0.98 0.00 0.00 173.24 175.08 3il3 h ASP 30 N 4.12 -1.07 -0.76 7.02 3.58 -1.99 -1.88 116.42 125.44 3il3 h ASP 30 Ca -0.40 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.23 3il3 h ASP 30 Cb 1.19 0.48 -0.04 0.00 1.72 0.00 0.00 39.33 42.69 3il3 h ASP 30 CO 0.43 -0.34 0.49 -0.08 -2.88 0.00 0.00 179.24 176.85 3il3 h GLU 31 N -0.32 1.01 -0.48 0.28 4.81 -1.98 0.21 114.58 118.11 3il3 h GLU 31 Ca 0.14 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3il3 h GLU 31 Cb 0.54 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3il3 h GLU 31 CO -0.47 0.68 0.16 2.35 -0.73 0.00 0.00 179.01 181.01 3il3 h TRP 32 N 1.03 0.77 -0.15 0.92 2.91 -1.93 -1.30 115.95 118.20 3il3 h TRP 32 Ca 0.27 -0.07 0.02 0.00 1.13 0.00 0.00 58.89 60.24 3il3 h TRP 32 Cb -0.09 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.32 3il3 h TRP 32 CO -0.02 0.67 0.04 0.82 -1.03 0.00 0.00 178.44 178.92 3il3 h ILE 33 N 0.65 0.94 -0.10 2.65 2.04 -0.46 -2.62 117.51 120.61 3il3 h ILE 33 Ca 0.16 -0.03 -0.14 0.00 1.00 0.00 0.00 64.86 65.84 3il3 h ILE 33 Cb 0.25 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3il3 h ILE 33 CO -0.01 0.02 -0.56 0.58 0.00 0.00 0.00 178.15 178.18 3il3 h VAL 34 N 0.10 1.36 0.13 1.67 2.07 -0.74 -1.73 116.25 119.11 3il3 h VAL 34 Ca 0.06 -1.86 -0.28 0.00 0.82 0.00 0.00 66.70 65.45 3il3 h VAL 34 Cb 0.05 1.90 0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3il3 h VAL 34 CO -0.08 0.56 -1.23 0.74 0.02 0.00 0.00 177.57 177.58 3il3 h THR 35 N 0.23 1.45 0.00 2.57 2.02 -1.27 -0.58 112.91 117.33 3il3 h THR 35 Ca 0.00 -2.90 -0.18 0.00 0.77 0.00 0.00 66.41 64.10 3il3 h THR 35 Cb 1.05 2.87 -0.03 0.00 -1.74 0.00 0.00 68.15 70.30 3il3 h THR 35 CO 0.09 0.85 -1.08 0.03 0.37 0.00 0.00 175.52 175.78 3il3 h ARG 36 N 0.11 0.00 0.00 6.66 2.47 -1.44 -3.41 114.38 118.77 3il3 h ARG 36 Ca -0.14 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 3il3 h ARG 36 Cb 1.94 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.26 3il3 h ARG 36 CO 0.21 0.59 -0.71 -1.13 0.56 0.00 0.00 179.97 179.49 3il3 n SER 37 N -3.15 3.39 0.00 7.04 3.41 -0.65 -4.78 113.62 118.88 3il3 n SER 37 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3il3 n SER 37 Cb 0.88 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 3il3 n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3il3 n GLY 38 N 2.43 0.75 3.76 5.00 0.00 -0.22 -0.92 105.19 116.00 3il3 n GLY 38 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3il3 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3il3 s ILE 39 N -2.38 5.33 -0.12 -0.61 1.01 -1.26 -3.84 121.20 119.32 3il3 s ILE 39 Ca 0.00 0.46 0.10 0.00 0.00 0.00 0.00 60.65 61.20 3il3 s ILE 39 Cb 0.00 -3.57 -0.14 0.00 0.01 0.00 0.00 42.46 38.75 3il3 s ILE 39 CO 0.00 0.46 0.02 0.54 0.00 0.00 0.00 174.94 175.96 3il3 n ARG 40 N 3.13 1.86 -3.68 2.79 1.74 0.16 -4.11 116.66 118.54 3il3 n ARG 40 Ca -0.14 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.88 3il3 n ARG 40 Cb 0.52 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.64 3il3 n ARG 40 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3il3 s GLU 41 N -2.29 1.30 0.22 5.56 -1.05 -0.64 -2.02 118.70 119.79 3il3 s GLU 41 Ca -0.08 -0.65 0.03 0.00 -0.15 0.00 0.00 54.97 54.12 3il3 s GLU 41 Cb 0.04 0.49 -0.05 0.00 -0.44 0.00 0.00 34.13 34.16 3il3 s GLU 41 CO 0.47 -0.59 -0.00 1.03 0.95 0.00 0.00 175.26 177.12 3il3 s ARG 42 N -3.51 1.28 -0.14 -4.83 3.00 -0.07 -2.89 118.95 111.80 3il3 s ARG 42 Ca 0.09 -1.64 -0.06 0.00 0.00 0.00 0.00 55.73 54.11 3il3 s ARG 42 Cb -0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 34.95 34.36 3il3 s ARG 42 CO -0.01 -0.11 0.08 1.03 0.00 0.00 0.00 175.30 176.29 3il3 s ARG 43 N -3.88 3.61 -0.24 3.54 1.81 -1.26 -0.95 118.95 121.58 3il3 s ARG 43 Ca 0.28 -0.28 0.03 0.00 -1.72 0.00 0.00 55.73 54.03 3il3 s ARG 43 Cb 0.06 -3.13 0.05 0.00 -0.45 0.00 0.00 34.95 31.48 3il3 s ARG 43 CO 0.08 0.53 -0.13 0.42 -0.68 0.00 0.00 175.30 175.52 3il3 s ILE 44 N -0.35 2.14 0.98 1.52 -1.09 -0.17 -1.39 121.20 122.83 3il3 s ILE 44 Ca 0.10 -1.50 -0.15 0.00 -2.23 0.00 0.00 60.65 56.87 3il3 s ILE 44 Cb -0.12 -2.19 -0.03 0.00 -1.58 0.00 0.00 42.46 38.54 3il3 s ILE 44 CO 0.02 0.08 -0.09 0.00 -1.23 0.00 0.00 174.94 173.71 3il3 n ALA 45 N 4.47 -3.79 -1.97 9.38 0.00 -1.26 -4.08 120.51 123.26 3il3 n ALA 45 Ca -0.15 -0.69 -0.26 0.00 0.00 0.00 0.00 53.44 52.34 3il3 n ALA 45 Cb 0.44 -1.53 0.06 0.00 0.00 0.00 0.00 19.45 18.42 3il3 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3il3 s ALA 46 N -2.24 3.26 0.52 0.00 0.00 -1.26 -4.95 121.76 117.09 3il3 s ALA 46 Ca 0.50 -0.91 0.18 0.00 0.00 0.00 0.00 51.96 51.74 3il3 s ALA 46 Cb -0.19 -2.55 1.29 0.00 0.00 0.00 0.00 23.12 21.67 3il3 s ALA 46 CO 0.73 -1.13 2.11 1.49 0.00 0.00 0.00 175.76 178.96 3il3 h GLU 47 N -0.44 0.01 -0.56 0.00 4.81 -2.06 -2.68 114.58 113.66 3il3 h GLU 47 Ca -0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3il3 h GLU 47 Cb 1.30 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3il3 h GLU 47 CO 0.60 0.01 0.00 -0.40 -0.73 0.00 0.00 179.01 178.48 3il3 n ASP 48 N -4.50 3.53 -4.70 1.04 5.75 -1.26 -4.94 116.55 111.47 3il3 n ASP 48 Ca 0.00 -1.99 -0.27 0.00 -0.01 0.00 0.00 54.79 52.53 3il3 n ASP 48 Cb 0.22 -0.37 -0.07 0.00 -1.03 0.00 0.00 41.12 39.87 3il3 n ASP 48 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3il3 s GLU 49 N -1.26 2.56 0.29 0.11 2.02 -1.01 -5.01 118.70 116.40 3il3 s GLU 49 Ca 0.43 -1.01 0.02 0.00 0.02 0.00 0.00 54.97 54.43 3il3 s GLU 49 Cb 0.23 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 3il3 s GLU 49 CO 0.31 0.47 0.29 0.95 0.02 0.00 0.00 175.26 177.31 3il3 s THR 50 N -1.69 0.00 -0.33 3.63 -4.23 -1.26 -4.82 115.64 106.94 3il3 s THR 50 Ca 0.28 -1.88 0.23 0.00 -1.18 0.00 0.00 61.69 59.14 3il3 s THR 50 Cb -0.10 -2.51 0.24 0.00 1.34 0.00 0.00 72.50 71.47 3il3 s THR 50 CO 0.20 0.00 1.71 1.33 -0.54 0.00 0.00 174.62 177.32 3il3 n VAL 51 N -0.50 0.90 -0.03 2.29 0.24 -1.26 -1.69 118.33 118.27 3il3 n VAL 51 Ca 0.04 0.45 -0.14 0.00 -2.04 0.00 0.00 64.34 62.65 3il3 n VAL 51 Cb 0.63 -1.41 -0.11 0.00 -1.47 0.00 0.00 33.84 31.48 3il3 n VAL 51 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3il3 h ALA 52 N 2.15 0.04 0.17 2.33 0.00 -1.95 -2.58 119.26 119.42 3il3 h ALA 52 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3il3 h ALA 52 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3il3 h ALA 52 CO 0.00 -0.00 -0.08 1.79 0.00 0.00 0.00 179.25 180.96 3il3 h THR 53 N -0.51 0.93 0.16 0.00 1.35 -1.70 0.26 112.91 113.39 3il3 h THR 53 Ca -0.01 -0.46 0.01 0.00 -0.55 0.00 0.00 66.41 65.39 3il3 h THR 53 Cb 0.85 1.21 -0.03 0.00 -1.73 0.00 0.00 68.15 68.45 3il3 h THR 53 CO 0.03 0.11 -0.41 0.24 -0.25 0.00 0.00 175.52 175.23 3il3 h MET 54 N -0.45 -0.61 -0.08 4.72 0.00 -1.62 0.32 114.93 117.21 3il3 h MET 54 Ca -0.02 0.04 0.02 0.00 0.00 0.00 0.00 59.70 59.74 3il3 h MET 54 Cb 0.35 0.14 -0.00 0.00 0.00 0.00 0.00 31.60 32.08 3il3 h MET 54 CO 0.04 -0.41 0.20 0.78 0.00 0.00 0.00 176.91 177.52 3il3 h GLY 55 N -0.63 0.00 0.49 8.32 0.00 -1.42 0.11 103.07 109.93 3il3 h GLY 55 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3il3 h GLY 55 CO -0.19 0.00 -0.09 -2.75 0.00 0.00 0.00 176.54 173.51 3il3 h PHE 56 N 0.00 -0.23 -0.39 5.60 -0.00 0.23 -2.73 116.94 119.42 3il3 h PHE 56 Ca 0.04 -0.01 0.08 0.00 -0.00 0.00 0.00 57.97 58.08 3il3 h PHE 56 Cb 0.44 0.08 -0.08 0.00 -0.00 0.00 0.00 35.95 36.39 3il3 h PHE 56 CO 0.00 0.18 -0.13 0.93 -0.00 0.00 0.00 178.31 179.30 3il3 h GLU 57 N -0.76 -0.04 -0.92 1.11 4.39 0.19 -0.27 114.58 118.28 3il3 h GLU 57 Ca -0.03 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.80 3il3 h GLU 57 Cb 0.51 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.09 3il3 h GLU 57 CO 0.04 -0.03 0.54 0.00 -1.16 0.00 0.00 179.01 178.41 3il3 h ALA 58 N 1.31 1.38 0.07 3.43 0.00 -1.02 -1.62 119.26 122.81 3il3 h ALA 58 Ca 0.19 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.90 3il3 h ALA 58 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3il3 h ALA 58 CO -0.43 0.10 -1.10 0.00 0.00 0.00 0.00 179.25 177.82 3il3 h ALA 59 N 1.53 0.25 -0.73 0.00 0.00 -1.04 -1.91 119.26 117.36 3il3 h ALA 59 Ca 0.47 -0.85 0.10 0.00 0.00 0.00 0.00 54.91 54.63 3il3 h ALA 59 Cb 0.52 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 3il3 h ALA 59 CO -0.29 1.01 0.36 -0.22 0.00 0.00 0.00 179.25 180.10 3il3 h LYS 60 N 0.08 0.57 -0.08 0.00 3.64 -0.44 0.31 116.57 120.64 3il3 h LYS 60 Ca -0.09 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3il3 h LYS 60 Cb 1.81 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.50 3il3 h LYS 60 CO 0.17 0.38 0.01 -0.91 -2.27 0.00 0.00 179.45 176.84 3il3 h ASN 61 N 0.59 0.14 -0.23 4.20 2.35 -1.19 0.49 115.58 121.92 3il3 h ASN 61 Ca 0.36 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 3il3 h ASN 61 Cb 0.41 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3il3 h ASN 61 CO -0.29 0.36 0.16 0.00 -1.65 0.00 0.00 177.43 176.01 3il3 h ALA 62 N 0.78 1.97 0.17 -0.83 0.00 -0.67 -0.05 119.26 120.63 3il3 h ALA 62 Ca 0.03 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 3il3 h ALA 62 Cb 0.28 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.04 3il3 h ALA 62 CO 0.00 -0.00 -1.23 0.82 0.00 0.00 0.00 179.25 178.84 3il3 h ILE 63 N 0.20 1.27 -1.13 0.00 2.04 -0.20 -2.31 117.51 117.39 3il3 h ILE 63 Ca 0.10 -2.54 0.31 0.00 1.00 0.00 0.00 64.86 63.73 3il3 h ILE 63 Cb 0.13 3.00 -0.07 0.00 -0.74 0.00 0.00 36.82 39.14 3il3 h ILE 63 CO -0.02 0.75 0.77 -0.33 0.00 0.00 0.00 178.15 179.32 3il3 h GLU 64 N -0.17 0.18 0.00 2.37 5.08 0.56 0.71 114.58 123.31 3il3 h GLU 64 Ca -0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3il3 h GLU 64 Cb 1.85 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.06 3il3 h GLU 64 CO 0.16 0.12 0.00 0.00 -1.00 0.00 0.00 179.01 178.29 3il3 n ALA 65 N -2.61 0.00 -0.15 3.43 0.00 -0.08 -3.94 120.51 117.15 3il3 n ALA 65 Ca 0.26 -0.01 0.27 0.00 0.00 0.00 0.00 53.44 53.96 3il3 n ALA 65 Cb 1.09 0.00 0.56 0.00 0.00 0.00 0.00 19.45 21.09 3il3 n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3il3 h ALA 66 N -2.00 2.77 0.00 0.00 0.00 -1.26 -3.44 119.26 115.33 3il3 h ALA 66 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3il3 h ALA 66 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3il3 h ALA 66 CO 0.00 -1.46 0.00 0.94 0.00 0.00 0.00 179.25 178.73 3il3 n GLN 67 N -3.43 0.00 -1.42 0.00 -0.06 0.25 -4.98 117.38 107.74 3il3 n GLN 67 Ca 0.20 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.90 3il3 n GLN 67 Cb 1.29 -2.26 0.23 0.00 -4.06 0.00 0.00 30.24 25.44 3il3 n GLN 67 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 3il3 s ILE 68 N -2.57 1.72 -0.04 1.69 -4.36 -1.25 -4.98 121.20 111.41 3il3 s ILE 68 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 60.65 60.23 3il3 s ILE 68 Cb 0.00 -2.69 -0.05 0.00 1.25 0.00 0.00 42.46 40.96 3il3 s ILE 68 CO 0.00 0.00 0.44 0.54 0.24 0.00 0.00 174.94 176.16 3il3 s ASN 69 N -4.36 6.77 0.44 4.36 6.03 -1.26 -4.88 114.94 122.04 3il3 s ASN 69 Ca 0.73 0.91 0.21 0.00 -1.03 0.00 0.00 52.86 53.69 3il3 s ASN 69 Cb -0.06 -2.27 1.17 0.00 -3.03 0.00 0.00 41.25 37.07 3il3 s ASN 69 CO 0.55 0.20 1.84 1.55 -2.03 0.00 0.00 177.10 179.21 3il3 h PRO 70 N 5.45 0.31 0.00 3.55 0.13 -1.95 -0.84 132.00 138.65 3il3 h PRO 70 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3il3 h PRO 70 Cb 1.20 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3il3 h PRO 70 CO 0.67 0.21 0.00 1.04 -0.23 0.00 0.00 178.00 179.69 3il3 n GLN 71 N -4.48 0.15 0.15 0.86 1.13 -1.26 -1.05 117.38 112.88 3il3 n GLN 71 Ca 0.21 0.49 0.12 0.00 -1.94 0.00 0.00 57.00 55.88 3il3 n GLN 71 Cb 0.80 -1.85 0.24 0.00 0.11 0.00 0.00 30.24 29.54 3il3 n GLN 71 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3il3 h ASP 72 N 0.00 0.00 -2.76 1.08 5.19 -1.56 -3.43 116.42 114.93 3il3 h ASP 72 Ca 0.00 -0.02 -0.56 0.00 -0.62 0.00 0.00 57.03 55.83 3il3 h ASP 72 Cb 0.20 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 3il3 h ASP 72 CO 0.00 0.01 1.10 -0.63 -3.12 0.00 0.00 179.24 176.60 3il3 s ILE 73 N -3.18 3.73 -0.19 0.35 1.01 -0.21 -4.46 121.20 118.25 3il3 s ILE 73 Ca 0.07 0.84 -0.20 0.00 0.00 0.00 0.00 60.65 61.37 3il3 s ILE 73 Cb 0.09 -3.70 -0.20 0.00 0.01 0.00 0.00 42.46 38.65 3il3 s ILE 73 CO 0.66 -0.25 0.25 -0.33 0.00 0.00 0.00 174.94 175.27 3il3 h GLU 74 N 10.33 0.04 -5.75 2.79 5.08 -1.84 -3.46 114.58 121.78 3il3 h GLU 74 Ca -0.34 -0.07 -0.67 0.00 -1.00 0.00 0.00 59.36 57.28 3il3 h GLU 74 Cb 1.15 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.33 3il3 h GLU 74 CO 0.99 1.04 -0.53 -1.17 -1.00 0.00 0.00 179.01 178.34 3il3 s LEU 75 N -7.75 4.12 -0.19 1.33 2.96 -1.18 -0.17 118.68 117.79 3il3 s LEU 75 Ca -0.28 0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.96 3il3 s LEU 75 Cb 0.06 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.82 3il3 s LEU 75 CO 0.62 0.40 0.04 -0.63 -1.32 0.00 0.00 176.35 175.46 3il3 s ILE 76 N -0.97 0.49 -0.20 6.68 1.01 -0.64 -0.85 121.20 126.72 3il3 s ILE 76 Ca 0.14 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.29 3il3 s ILE 76 Cb -0.12 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.39 3il3 s ILE 76 CO 0.03 -0.19 -0.16 -0.63 0.00 0.00 0.00 174.94 173.99 3il3 s ILE 77 N 1.88 2.27 -0.27 2.92 1.01 0.12 -2.80 121.20 126.33 3il3 s ILE 77 Ca -0.01 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 3il3 s ILE 77 Cb -0.17 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 3il3 s ILE 77 CO -0.08 0.43 0.17 -0.69 0.00 0.00 0.00 174.94 174.77 3il3 s VAL 78 N 1.29 5.27 -0.49 2.92 1.01 -1.10 0.05 120.40 129.34 3il3 s VAL 78 Ca 0.03 0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 3il3 s VAL 78 Cb -0.14 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.79 3il3 s VAL 78 CO -0.10 0.29 0.67 0.00 0.00 0.00 0.00 175.10 175.95 3il3 s ALA 79 N 1.52 3.35 -0.02 5.51 0.00 0.15 -1.09 121.76 131.17 3il3 s ALA 79 Ca 0.07 -1.52 -0.21 0.00 0.00 0.00 0.00 51.96 50.30 3il3 s ALA 79 Cb -0.15 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.63 3il3 s ALA 79 CO 0.09 -1.98 0.46 -0.08 0.00 0.00 0.00 175.76 174.24 3il3 s THR 80 N 2.84 0.04 -0.05 0.00 -1.32 -1.04 -1.91 115.64 114.19 3il3 s THR 80 Ca 0.19 -0.30 0.19 0.00 -1.21 0.00 0.00 61.69 60.56 3il3 s THR 80 Cb -0.17 -0.79 0.37 0.00 -1.51 0.00 0.00 72.50 70.40 3il3 s THR 80 CO 0.15 -0.16 1.16 0.35 -2.21 0.00 0.00 174.62 173.91 3il3 n THR 81 N 1.06 0.59 -2.16 5.08 -2.24 -1.26 -4.32 114.28 111.04 3il3 n THR 81 Ca -0.20 -1.45 0.01 0.00 -2.27 0.00 0.00 64.05 60.14 3il3 n THR 81 Cb 0.57 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3il3 n THR 81 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3il3 n SER 82 N -0.02 0.29 -4.73 3.42 3.41 -1.26 -5.04 113.62 109.70 3il3 n SER 82 Ca 0.09 -1.96 -0.30 0.00 -0.26 0.00 0.00 58.87 56.44 3il3 n SER 82 Cb 0.97 -0.21 0.13 0.00 -0.26 0.00 0.00 64.21 64.83 3il3 n SER 82 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3il3 s HIS 83 N 0.00 2.37 0.08 7.33 5.04 -1.26 -4.62 115.29 124.23 3il3 s HIS 83 Ca 0.11 1.27 0.04 0.00 -1.54 0.00 0.00 55.06 54.93 3il3 s HIS 83 Cb 0.12 -3.15 -0.24 0.00 0.04 0.00 0.00 32.58 29.35 3il3 s HIS 83 CO -0.05 -2.31 1.12 0.66 -2.34 0.00 0.00 174.74 171.82 3il3 h SER 84 N -1.48 0.15 -2.48 9.88 4.64 -1.98 -3.46 113.55 118.80 3il3 h SER 84 Ca -0.49 -0.17 -0.59 0.00 -0.47 0.00 0.00 61.79 60.07 3il3 h SER 84 Cb 1.28 -0.05 -0.12 0.00 -0.31 0.00 0.00 62.40 63.20 3il3 h SER 84 CO 0.55 1.14 -0.70 -1.00 -0.87 0.00 0.00 176.83 175.95 3il3 s HIS 85 N -2.67 2.59 -0.18 4.77 4.02 -1.26 -5.03 115.29 117.52 3il3 s HIS 85 Ca -0.02 -0.25 -0.20 0.00 1.02 0.00 0.00 55.06 55.61 3il3 s HIS 85 Cb 0.09 -1.18 -0.17 0.00 -1.02 0.00 0.00 32.58 30.29 3il3 s HIS 85 CO 0.84 0.60 0.25 0.00 1.02 0.00 0.00 174.74 177.45 3il3 h ALA 86 N 2.32 0.17 -3.08 -1.40 0.00 -2.00 -3.45 119.26 111.81 3il3 h ALA 86 Ca -0.44 -0.93 -0.30 0.00 0.00 0.00 0.00 54.91 53.23 3il3 h ALA 86 Cb 1.24 0.54 -0.20 0.00 0.00 0.00 0.00 17.79 19.36 3il3 h ALA 86 CO 0.58 0.52 -0.74 1.52 0.00 0.00 0.00 179.25 181.12 3il3 s TYR 87 N -2.28 0.85 0.41 0.00 1.13 -1.26 -4.08 117.35 112.11 3il3 s TYR 87 Ca -0.24 -0.55 -0.24 0.00 -1.41 0.00 0.00 57.07 54.63 3il3 s TYR 87 Cb 0.03 -0.49 -0.09 0.00 -1.10 0.00 0.00 41.96 40.32 3il3 s TYR 87 CO 0.53 -0.05 1.09 -1.25 -2.51 0.00 0.00 175.55 173.36 3il3 s PRO 88 N -1.96 4.09 0.86 -3.49 0.04 -1.26 -5.13 135.00 128.15 3il3 s PRO 88 Ca -0.05 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.51 3il3 s PRO 88 Cb -0.08 -2.56 0.11 0.00 0.04 0.00 0.00 34.50 32.01 3il3 s PRO 88 CO 0.00 -0.23 1.15 -1.54 0.04 0.00 0.00 177.00 176.42 3il3 s SER 89 N -1.43 3.39 0.30 6.66 1.04 -1.26 -4.69 113.70 117.71 3il3 s SER 89 Ca 0.58 2.18 0.02 0.00 0.48 0.00 0.00 55.95 59.21 3il3 s SER 89 Cb -0.25 -2.57 0.58 0.00 0.10 0.00 0.00 66.02 63.88 3il3 s SER 89 CO 0.31 -2.79 1.87 0.00 0.98 0.00 0.00 173.24 173.61 3il3 h ALA 90 N -1.45 1.56 -0.12 5.32 0.00 -1.90 -1.48 119.26 121.19 3il3 h ALA 90 Ca -0.44 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.49 3il3 h ALA 90 Cb 1.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3il3 h ALA 90 CO 0.44 0.24 0.01 0.00 0.00 0.00 0.00 179.25 179.94 3il3 h ALA 91 N 1.53 0.11 -0.63 0.00 0.00 -1.89 0.88 119.26 119.26 3il3 h ALA 91 Ca 0.45 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.40 3il3 h ALA 91 Cb 0.40 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3il3 h ALA 91 CO -0.21 -0.45 0.41 0.00 0.00 0.00 0.00 179.25 179.00 3il3 h GLN 93 N 0.82 0.06 -0.80 0.00 4.20 -0.85 -1.93 115.11 116.62 3il3 h GLN 93 Ca 0.24 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.04 3il3 h GLN 93 Cb -0.06 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.63 3il3 h GLN 93 CO -0.06 0.12 0.43 0.28 -0.67 0.00 0.00 178.83 178.93 3il3 h VAL 94 N -0.01 0.86 -1.00 -0.54 2.07 -0.47 0.23 116.25 117.39 3il3 h VAL 94 Ca 0.02 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3il3 h VAL 94 Cb 0.08 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 29.88 3il3 h VAL 94 CO -0.00 0.13 0.66 -0.61 0.02 0.00 0.00 177.57 177.76 3il3 h GLN 95 N 0.71 1.25 -0.08 1.57 4.15 -0.58 -0.85 115.11 121.28 3il3 h GLN 95 Ca 0.40 -0.08 -0.19 0.00 0.77 0.00 0.00 58.65 59.55 3il3 h GLN 95 Cb 0.41 -0.28 0.01 0.00 0.21 0.00 0.00 27.48 27.83 3il3 h GLN 95 CO -0.27 0.83 -0.68 0.78 -1.93 0.00 0.00 178.83 177.56 3il3 h GLY 96 N 1.29 0.67 1.71 2.39 0.00 -0.21 -1.12 103.07 107.81 3il3 h GLY 96 Ca 0.39 -1.02 0.04 0.00 0.00 0.00 0.00 47.33 46.74 3il3 h GLY 96 CO -0.11 0.90 0.11 1.41 0.00 0.00 0.00 176.54 178.85 3il3 h LEU 97 N 0.23 0.00 0.00 3.11 3.38 -0.35 0.22 115.31 121.91 3il3 h LEU 97 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3il3 h LEU 97 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3il3 h LEU 97 CO 0.14 0.00 -0.45 0.18 0.09 0.00 0.00 178.44 178.40 3il3 n LEU 98 N -4.29 0.51 -1.69 1.67 4.77 -0.35 -4.94 117.00 112.68 3il3 n LEU 98 Ca 0.00 0.18 -0.17 0.00 -0.03 0.00 0.00 56.01 56.00 3il3 n LEU 98 Cb 0.23 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 3il3 n LEU 98 CO 0.33 0.03 -0.20 0.59 -1.33 0.00 0.00 177.39 176.81 3il3 n ASN 99 N -1.76 -5.02 -4.63 -1.43 3.02 0.77 -4.94 115.26 101.27 3il3 n ASN 99 Ca 0.05 0.15 -0.43 0.00 -0.03 0.00 0.00 54.58 54.32 3il3 n ASN 99 Cb 0.38 -4.08 -0.02 0.00 -0.61 0.00 0.00 39.78 35.45 3il3 n ASN 99 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3il3 s ILE 100 N -2.76 4.09 0.05 2.41 1.01 -0.76 -4.93 121.20 120.31 3il3 s ILE 100 Ca 0.00 1.23 -0.22 0.00 0.00 0.00 0.00 60.65 61.66 3il3 s ILE 100 Cb 0.00 -4.11 -0.11 0.00 0.01 0.00 0.00 42.46 38.25 3il3 s ILE 100 CO 0.00 -0.46 1.34 0.44 0.00 0.00 0.00 174.94 176.25 3il3 h ASP 101 N 9.47 -0.83 -1.83 3.58 3.32 -1.92 -3.44 116.42 124.76 3il3 h ASP 101 Ca -0.27 0.06 -0.55 0.00 0.02 0.00 0.00 57.03 56.29 3il3 h ASP 101 Cb 1.10 0.27 -0.08 0.00 0.22 0.00 0.00 39.33 40.84 3il3 h ASP 101 CO 1.03 -0.41 -0.54 -0.62 -1.72 0.00 0.00 179.24 176.98 3il3 s ASP 102 N -3.48 4.60 0.00 6.45 3.68 -1.26 -5.08 116.67 121.59 3il3 s ASP 102 Ca -0.11 -0.84 0.00 0.00 2.13 0.00 0.00 52.55 53.73 3il3 s ASP 102 Cb 0.02 -0.67 0.00 0.00 -1.45 0.00 0.00 42.92 40.83 3il3 s ASP 102 CO 0.36 -0.34 0.00 0.00 0.13 0.00 0.00 175.17 175.32 3il3 n ALA 103 N -1.15 0.00 -3.45 3.66 0.00 -1.26 -4.95 120.51 113.36 3il3 n ALA 103 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 3il3 n ALA 103 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 3il3 n ALA 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3il3 s ILE 104 N -2.00 4.72 -0.06 0.00 2.07 0.76 -4.99 121.20 121.69 3il3 s ILE 104 Ca 0.00 -1.89 0.04 0.00 -1.41 0.00 0.00 60.65 57.39 3il3 s ILE 104 Cb 0.00 -4.04 0.00 0.00 0.13 0.00 0.00 42.46 38.55 3il3 s ILE 104 CO 0.00 -0.86 -0.18 -0.44 -1.91 0.00 0.00 174.94 171.55 3il3 s SER 105 N 2.75 2.35 0.27 4.50 0.01 -1.26 -1.62 113.70 120.70 3il3 s SER 105 Ca 0.08 -0.40 -0.21 0.00 1.31 0.00 0.00 55.95 56.72 3il3 s SER 105 Cb -0.24 -0.87 0.02 0.00 0.21 0.00 0.00 66.02 65.13 3il3 s SER 105 CO -0.01 0.13 0.72 0.72 0.41 0.00 0.00 173.24 175.21 3il3 s PHE 106 N 0.26 -0.20 0.01 2.43 -0.71 -1.12 -4.75 117.98 113.91 3il3 s PHE 106 Ca -0.10 -0.25 0.02 0.00 -1.04 0.00 0.00 56.93 55.56 3il3 s PHE 106 Cb -0.14 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.33 3il3 s PHE 106 CO 0.04 -1.22 -0.03 -0.51 -1.34 0.00 0.00 175.22 172.17 3il3 s ASP 107 N -2.92 4.92 -0.14 1.98 1.01 -1.26 -2.71 116.67 117.55 3il3 s ASP 107 Ca 0.11 -0.07 0.01 0.00 0.71 0.00 0.00 52.55 53.30 3il3 s ASP 107 Cb -0.06 -1.23 -0.00 0.00 1.01 0.00 0.00 42.92 42.64 3il3 s ASP 107 CO 0.06 0.27 -0.17 -0.22 0.21 0.00 0.00 175.17 175.33 3il3 s LEU 108 N -1.57 2.42 -0.35 1.23 0.20 -0.25 -4.97 118.68 115.39 3il3 s LEU 108 Ca 0.19 -0.48 -0.10 0.00 0.69 0.00 0.00 54.13 54.43 3il3 s LEU 108 Cb -0.11 -1.54 0.01 0.00 -0.43 0.00 0.00 46.19 44.12 3il3 s LEU 108 CO 0.10 0.10 0.18 0.00 -0.29 0.00 0.00 176.35 176.44 3il3 s ALA 109 N 0.70 3.27 -0.36 5.97 0.00 -1.26 -2.49 121.76 127.59 3il3 s ALA 109 Ca -0.08 -1.58 0.13 0.00 0.00 0.00 0.00 51.96 50.43 3il3 s ALA 109 Cb -0.16 -2.50 0.42 0.00 0.00 0.00 0.00 23.12 20.88 3il3 s ALA 109 CO 0.01 -1.18 1.37 0.00 0.00 0.00 0.00 175.76 175.96 3il3 n ALA 110 N 4.99 2.20 0.00 0.00 0.00 -1.26 -5.03 120.51 121.41 3il3 n ALA 110 Ca -0.13 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 51.81 3il3 n ALA 110 Cb 0.47 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3il3 n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3il3 n ALA 111 N -0.90 0.00 0.00 0.00 0.00 -1.26 -1.79 120.51 116.56 3il3 n ALA 111 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3il3 n ALA 111 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 3il3 n ALA 111 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3il3 n THR 113 N 0.00 0.00 -0.25 0.00 -1.04 -1.26 -4.23 114.28 107.50 3il3 n THR 113 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 3il3 n THR 113 Cb 0.00 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.56 3il3 n THR 113 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3il3 h GLY 114 N 0.00 0.98 0.86 3.41 0.00 -1.69 -0.97 103.07 105.65 3il3 h GLY 114 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 3il3 h GLY 114 CO 0.00 0.36 0.05 -2.75 0.00 0.00 0.00 176.54 174.20 3il3 h PHE 115 N 0.94 0.36 -0.72 5.60 3.57 -1.82 -0.35 116.94 124.52 3il3 h PHE 115 Ca 0.25 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3il3 h PHE 115 Cb -0.11 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 3il3 h PHE 115 CO -0.02 0.46 0.42 0.28 -2.23 0.00 0.00 178.31 177.21 3il3 h VAL 116 N 0.16 1.21 -0.38 1.41 2.07 -1.82 0.81 116.25 119.73 3il3 h VAL 116 Ca 0.07 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.10 3il3 h VAL 116 Cb 0.28 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3il3 h VAL 116 CO 0.00 0.23 0.24 1.88 0.02 0.00 0.00 177.57 179.94 3il3 h TYR 117 N 0.99 0.46 -0.14 1.57 -1.99 -1.10 -2.30 116.97 114.46 3il3 h TYR 117 Ca 0.26 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.00 3il3 h TYR 117 Cb -0.00 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.57 3il3 h TYR 117 CO -0.01 0.29 0.08 0.00 -0.00 0.00 0.00 178.16 178.52 3il3 h ALA 118 N 1.15 0.18 -0.78 3.88 0.00 -0.30 -1.11 119.26 122.27 3il3 h ALA 118 Ca 0.14 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3il3 h ALA 118 Cb -0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3il3 h ALA 118 CO -0.04 -0.30 0.48 1.25 0.00 0.00 0.00 179.25 180.64 3il3 h LEU 119 N 0.14 0.76 -0.98 0.00 5.85 -0.78 0.19 115.31 120.49 3il3 h LEU 119 Ca 0.05 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3il3 h LEU 119 Cb 0.05 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3il3 h LEU 119 CO -0.01 0.50 0.25 -1.28 -0.34 0.00 0.00 178.44 177.56 3il3 h SER 120 N 0.90 0.91 0.06 1.25 0.87 -1.04 0.56 113.55 117.06 3il3 h SER 120 Ca 0.33 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 3il3 h SER 120 Cb 0.12 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 3il3 h SER 120 CO -0.15 0.82 -0.03 0.58 -0.53 0.00 0.00 176.83 177.52 3il3 h VAL 121 N 0.97 1.13 -0.69 2.23 2.07 0.27 -1.37 116.25 120.85 3il3 h VAL 121 Ca 0.22 -0.64 0.13 0.00 0.82 0.00 0.00 66.70 67.24 3il3 h VAL 121 Cb 0.21 1.54 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 3il3 h VAL 121 CO -0.02 0.16 0.23 0.00 0.02 0.00 0.00 177.57 177.96 3il3 h ALA 122 N 0.55 0.91 -0.53 1.67 0.00 -1.05 -1.20 119.26 119.62 3il3 h ALA 122 Ca -0.01 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.13 3il3 h ALA 122 Cb 0.32 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 3il3 h ALA 122 CO 0.01 -0.25 -0.09 0.22 0.00 0.00 0.00 179.25 179.14 3il3 h ASP 123 N 0.37 -0.42 0.49 0.00 3.58 -0.39 0.36 116.42 120.41 3il3 h ASP 123 Ca 0.37 0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.96 3il3 h ASP 123 Cb 0.56 0.30 -0.00 0.00 1.72 0.00 0.00 39.33 41.90 3il3 h ASP 123 CO -0.40 -0.15 -0.05 1.56 -2.88 0.00 0.00 179.24 177.32 3il3 h GLN 124 N 0.03 0.00 0.02 0.28 1.08 -0.13 0.22 115.11 116.62 3il3 h GLN 124 Ca 0.26 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.23 3il3 h GLN 124 Cb 0.40 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 3il3 h GLN 124 CO -0.52 0.05 -1.09 0.74 -0.95 0.00 0.00 178.83 177.07 3il3 h PHE 125 N 0.00 0.09 0.19 2.96 -1.00 0.37 -2.70 116.94 116.85 3il3 h PHE 125 Ca -0.00 -0.07 -0.35 0.00 2.81 0.00 0.00 57.97 60.36 3il3 h PHE 125 Cb 0.31 -0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.87 3il3 h PHE 125 CO 0.00 1.06 -1.72 0.82 -1.61 0.00 0.00 178.31 176.85 3il3 h ILE 126 N 0.01 0.97 -0.95 -0.55 2.04 -0.44 -1.96 117.51 116.63 3il3 h ILE 126 Ca -0.05 -2.54 0.18 0.00 1.00 0.00 0.00 64.86 63.45 3il3 h ILE 126 Cb 1.82 2.79 -0.08 0.00 -0.74 0.00 0.00 36.82 40.60 3il3 h ILE 126 CO 0.14 0.85 0.61 0.03 0.00 0.00 0.00 178.15 179.78 3il3 h ARG 127 N 0.11 0.62 -0.01 2.37 3.08 -0.67 -0.05 114.38 119.82 3il3 h ARG 127 Ca -0.33 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3il3 h ARG 127 Cb 2.10 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 32.01 3il3 h ARG 127 CO 0.19 0.41 -0.04 0.00 -1.07 0.00 0.00 179.97 179.46 3il3 n ALA 128 N -2.42 2.66 -0.41 0.04 0.00 -1.02 -4.18 120.51 115.18 3il3 n ALA 128 Ca 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3il3 n ALA 128 Cb 0.59 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3il3 n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3il3 n GLY 129 N 1.18 1.77 0.34 0.00 0.00 -0.03 -4.86 105.19 103.59 3il3 n GLY 129 Ca 0.18 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.37 3il3 n GLY 129 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3il3 h LYS 130 N 2.06 0.55 -4.75 1.61 1.63 -1.60 -3.43 116.57 112.64 3il3 h LYS 130 Ca 0.00 -0.03 -0.32 0.00 -0.85 0.00 0.00 60.65 59.44 3il3 h LYS 130 Cb 0.00 -0.12 -0.14 0.00 -0.60 0.00 0.00 32.23 31.36 3il3 h LYS 130 CO 0.00 0.37 -0.59 0.14 -3.45 0.00 0.00 179.45 175.91 3il3 s VAL 131 N -5.79 0.20 0.00 2.00 -7.23 -1.07 -5.04 120.40 103.46 3il3 s VAL 131 Ca -0.11 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 3il3 s VAL 131 Cb 0.27 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.67 3il3 s VAL 131 CO 0.79 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.87 3il3 n LYS 132 N -0.41 2.19 -4.20 4.82 4.01 -1.26 -4.58 118.16 118.74 3il3 n LYS 132 Ca 0.02 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.67 3il3 n LYS 132 Cb 0.65 -0.80 -0.11 0.00 -0.51 0.00 0.00 35.03 34.27 3il3 n LYS 132 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3il3 s LYS 133 N -1.29 0.91 -0.29 1.97 -0.14 -1.26 -1.97 119.74 117.67 3il3 s LYS 133 Ca 0.00 -1.24 -0.15 0.00 -1.36 0.00 0.00 55.97 53.22 3il3 s LYS 133 Cb 0.00 -0.57 0.12 0.00 -1.68 0.00 0.00 37.83 35.70 3il3 s LYS 133 CO 0.00 0.08 0.82 0.00 -0.76 0.00 0.00 175.35 175.49 3il3 s ALA 134 N -2.68 -2.13 -0.37 5.17 0.00 -1.20 -3.10 121.76 117.44 3il3 s ALA 134 Ca 0.09 2.30 -0.16 0.00 0.00 0.00 0.00 51.96 54.19 3il3 s ALA 134 Cb -0.01 -1.65 -0.00 0.00 0.00 0.00 0.00 23.12 21.46 3il3 s ALA 134 CO 0.00 -0.51 0.38 -1.17 0.00 0.00 0.00 175.76 174.46 3il3 s LEU 135 N 1.81 4.61 -0.30 0.00 2.96 -0.03 -0.62 118.68 127.11 3il3 s LEU 135 Ca -0.08 -0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 53.35 3il3 s LEU 135 Cb -0.06 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.31 3il3 s LEU 135 CO -0.18 -0.42 0.08 -0.69 -1.32 0.00 0.00 176.35 173.83 3il3 s VAL 136 N 2.03 3.92 -0.09 1.68 1.01 0.94 -0.70 120.40 129.18 3il3 s VAL 136 Ca 0.11 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3il3 s VAL 136 Cb -0.17 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3il3 s VAL 136 CO 0.12 0.04 -0.09 -0.63 0.00 0.00 0.00 175.10 174.55 3il3 s ILE 137 N 1.48 3.52 -0.25 2.22 1.01 0.11 -0.69 121.20 128.60 3il3 s ILE 137 Ca 0.02 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 3il3 s ILE 137 Cb -0.17 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.86 3il3 s ILE 137 CO 0.02 0.57 -0.03 -0.83 0.00 0.00 0.00 174.94 174.67 3il3 s GLY 138 N -0.38 1.65 -0.11 6.18 0.00 0.09 0.30 107.32 115.05 3il3 s GLY 138 Ca 0.05 -1.40 -0.05 0.00 0.00 0.00 0.00 44.72 43.32 3il3 s GLY 138 CO 0.02 0.52 0.24 -0.45 0.00 0.00 0.00 173.10 173.44 3il3 s SER 139 N 1.38 -0.02 0.05 1.64 0.15 -0.80 -0.17 113.70 115.93 3il3 s SER 139 Ca 0.02 0.53 -0.04 0.00 0.70 0.00 0.00 55.95 57.16 3il3 s SER 139 Cb -0.16 0.49 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 3il3 s SER 139 CO -0.03 -0.19 0.06 -1.81 1.20 0.00 0.00 173.24 172.46 3il3 s ASP 140 N 1.67 0.30 -0.41 5.45 1.01 -1.00 -4.24 116.67 119.45 3il3 s ASP 140 Ca -0.05 -0.75 0.05 0.00 0.71 0.00 0.00 52.55 52.51 3il3 s ASP 140 Cb -0.11 0.23 0.19 0.00 1.01 0.00 0.00 42.92 44.24 3il3 s ASP 140 CO -0.08 -0.58 0.41 -0.11 0.21 0.00 0.00 175.17 175.01 3il3 n LEU 141 N 0.37 -0.59 0.25 1.23 0.00 -1.26 -2.06 117.00 114.94 3il3 n LEU 141 Ca -0.16 -4.33 0.16 0.00 0.00 0.00 0.00 56.01 51.68 3il3 n LEU 141 Cb 0.60 0.58 0.61 0.00 0.00 0.00 0.00 43.42 45.22 3il3 n LEU 141 CO 0.25 1.91 0.96 0.78 0.00 0.00 0.00 177.39 181.28 3il3 h ASN 142 N 5.26 0.00 -0.02 1.96 2.35 -1.87 -3.29 115.58 119.96 3il3 h ASN 142 Ca 0.21 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3il3 h ASN 142 Cb 0.92 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.29 3il3 h ASN 142 CO 0.36 0.00 0.03 0.77 -1.65 0.00 0.00 177.43 176.94 3il3 h SER 143 N 0.00 0.00 -0.40 5.81 4.64 -1.89 0.26 113.55 121.97 3il3 h SER 143 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3il3 h SER 143 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3il3 h SER 143 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3il3 n ARG 144 N -3.80 2.39 -0.04 4.77 1.74 -1.24 -3.97 116.66 116.51 3il3 n ARG 144 Ca -0.02 -2.11 0.02 0.00 -0.77 0.00 0.00 57.85 54.97 3il3 n ARG 144 Cb 0.11 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.10 3il3 n ARG 144 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3il3 n LYS 145 N 1.30 2.82 -4.22 5.56 4.76 0.88 -4.99 118.16 124.26 3il3 n LYS 145 Ca 0.19 -1.70 -0.35 0.00 -2.87 0.00 0.00 58.31 53.58 3il3 n LYS 145 Cb 0.55 -1.10 -0.09 0.00 -1.84 0.00 0.00 35.03 32.56 3il3 n LYS 145 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3il3 s LEU 146 N -1.21 3.81 -0.46 -0.35 1.43 -1.07 -0.17 118.68 120.66 3il3 s LEU 146 Ca 0.07 0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 53.16 3il3 s LEU 146 Cb 0.05 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.40 3il3 s LEU 146 CO 0.02 0.37 0.84 -0.62 0.23 0.00 0.00 176.35 177.20 3il3 s ASP 147 N -0.84 6.44 -0.01 2.29 2.15 -1.26 -4.93 116.67 120.50 3il3 s ASP 147 Ca 0.13 -0.05 0.02 0.00 0.43 0.00 0.00 52.55 53.09 3il3 s ASP 147 Cb -0.12 -2.41 0.09 0.00 -0.30 0.00 0.00 42.92 40.19 3il3 s ASP 147 CO 0.03 -0.98 0.87 -0.62 -0.17 0.00 0.00 175.17 174.29 3il3 n GLU 148 N 6.91 1.36 -0.00 4.34 1.02 -1.26 -1.11 120.64 131.90 3il3 n GLU 148 Ca 0.04 -0.37 0.02 0.00 -0.02 0.00 0.00 57.16 56.82 3il3 n GLU 148 Cb 0.48 -1.33 -0.02 0.00 -0.02 0.00 0.00 31.44 30.55 3il3 n GLU 148 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3il3 n THR 149 N -0.07 0.00 -2.22 2.62 -2.24 -1.26 -4.73 114.28 106.38 3il3 n THR 149 Ca 0.03 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 61.00 3il3 n THR 149 Cb 0.22 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3il3 n THR 149 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3il3 n ASP 150 N -1.13 4.85 0.03 3.42 2.03 -0.27 -4.82 116.55 120.66 3il3 n ASP 150 Ca 0.00 -3.06 0.01 0.00 0.52 0.00 0.00 54.79 52.27 3il3 n ASP 150 Cb 0.05 -1.51 0.08 0.00 -0.72 0.00 0.00 41.12 39.02 3il3 n ASP 150 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 3il3 n ARG 151 N 4.30 0.02 0.18 -0.67 1.85 -1.26 0.59 116.66 121.67 3il3 n ARG 151 Ca 0.42 0.38 0.05 0.00 -1.00 0.00 0.00 57.85 57.71 3il3 n ARG 151 Cb 0.37 -1.75 0.51 0.00 -1.05 0.00 0.00 32.46 30.54 3il3 n ARG 151 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3il3 h SER 152 N 0.00 0.13 0.00 2.89 0.87 -1.93 -3.38 113.55 112.13 3il3 h SER 152 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3il3 h SER 152 Cb 0.36 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 3il3 h SER 152 CO 0.00 0.19 -0.68 0.35 -0.53 0.00 0.00 176.83 176.16 3il3 n THR 153 N -4.41 0.00 0.24 2.23 -2.24 0.20 -4.76 114.28 105.54 3il3 n THR 153 Ca -0.01 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.94 3il3 n THR 153 Cb 0.17 -0.14 0.88 0.00 -2.10 0.00 0.00 70.33 69.14 3il3 n THR 153 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3il3 h VAL 154 N 0.00 0.38 -0.26 2.28 2.07 -1.66 -1.63 116.25 117.42 3il3 h VAL 154 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3il3 h VAL 154 Cb 0.32 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3il3 h VAL 154 CO 0.00 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.92 3il3 n VAL 155 N -3.64 0.34 -0.08 2.57 0.24 -1.26 -4.41 118.33 112.10 3il3 n VAL 155 Ca 0.01 -0.67 -0.08 0.00 -2.04 0.00 0.00 64.34 61.55 3il3 n VAL 155 Cb 0.29 1.14 -0.13 0.00 -1.47 0.00 0.00 33.84 33.67 3il3 n VAL 155 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3il3 n LEU 156 N 1.38 0.01 -4.73 1.34 4.77 -0.61 -4.99 117.00 114.17 3il3 n LEU 156 Ca 0.17 -0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.90 3il3 n LEU 156 Cb 0.58 0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 42.00 3il3 n LEU 156 CO 0.15 0.40 -0.26 -0.36 -1.33 0.00 0.00 177.39 175.98 3il3 s PHE 157 N -2.39 2.96 0.00 -1.77 0.40 -1.24 -1.42 117.98 114.52 3il3 s PHE 157 Ca -0.08 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 3il3 s PHE 157 Cb 0.05 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.19 3il3 s PHE 157 CO 0.66 0.54 0.00 0.41 0.70 0.00 0.00 175.22 177.52 3il3 n GLY 158 N -0.53 4.03 3.30 4.36 0.00 -0.38 -4.71 105.19 111.26 3il3 n GLY 158 Ca -0.08 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 3il3 n GLY 158 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3il3 s ASP 159 N 1.28 2.24 0.00 1.61 -0.00 -0.49 -2.77 116.67 118.54 3il3 s ASP 159 Ca 0.00 -0.98 0.00 0.00 -0.00 0.00 0.00 52.55 51.57 3il3 s ASP 159 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 42.92 42.83 3il3 s ASP 159 CO 0.00 -0.21 0.00 0.61 -0.00 0.00 0.00 175.17 175.57 3il3 n GLY 160 N -0.18 2.41 3.00 0.21 0.00 -0.88 -4.60 105.19 105.16 3il3 n GLY 160 Ca -0.10 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 3il3 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3il3 s ALA 161 N -1.92 0.23 0.04 4.61 0.00 0.69 -2.38 121.76 123.02 3il3 s ALA 161 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3il3 s ALA 161 Cb 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 3il3 s ALA 161 CO 0.00 -0.16 -0.05 0.20 0.00 0.00 0.00 175.76 175.76 3il3 s GLY 162 N -1.62 0.38 0.01 0.00 0.00 0.76 -0.79 107.32 106.06 3il3 s GLY 162 Ca -0.13 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.81 3il3 s GLY 162 CO -0.02 -0.86 -0.03 0.00 0.00 0.00 0.00 173.10 172.20 3il3 s ALA 163 N -1.95 0.17 -0.04 3.20 0.00 0.28 -0.73 121.76 122.69 3il3 s ALA 163 Ca -0.09 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.56 3il3 s ALA 163 Cb -0.06 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.12 3il3 s ALA 163 CO -0.02 -0.04 -0.03 0.08 0.00 0.00 0.00 175.76 175.75 3il3 s VAL 164 N -0.66 0.42 -0.27 0.00 1.01 0.13 0.07 120.40 121.11 3il3 s VAL 164 Ca -0.06 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 3il3 s VAL 164 Cb -0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3il3 s VAL 164 CO -0.00 0.19 0.34 -0.63 0.00 0.00 0.00 175.10 175.00 3il3 s ILE 165 N 0.85 5.20 0.62 2.22 1.01 -0.20 -0.04 121.20 130.86 3il3 s ILE 165 Ca -0.10 0.51 0.02 0.00 0.00 0.00 0.00 60.65 61.07 3il3 s ILE 165 Cb -0.13 -3.67 0.08 0.00 0.01 0.00 0.00 42.46 38.75 3il3 s ILE 165 CO -0.00 0.18 0.87 -0.76 0.00 0.00 0.00 174.94 175.22 3il3 s LEU 166 N 1.96 3.13 -0.29 2.97 1.43 0.21 -0.67 118.68 127.43 3il3 s LEU 166 Ca 0.14 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 3il3 s LEU 166 Cb -0.16 -2.29 0.11 0.00 0.03 0.00 0.00 46.19 43.89 3il3 s LEU 166 CO 0.10 -1.48 0.82 -0.70 0.23 0.00 0.00 176.35 175.33 3il3 s GLU 167 N -4.90 0.54 0.37 1.70 2.12 -1.05 -3.25 118.70 114.23 3il3 s GLU 167 Ca 0.62 0.97 -0.26 0.00 0.36 0.00 0.00 54.97 56.66 3il3 s GLU 167 Cb -0.07 0.16 -0.12 0.00 0.26 0.00 0.00 34.13 34.36 3il3 s GLU 167 CO 0.41 -0.12 1.14 0.00 -0.54 0.00 0.00 175.26 176.15 3il3 n ALA 168 N 4.14 0.63 -3.64 6.30 0.00 -0.83 -0.61 120.51 126.49 3il3 n ALA 168 Ca -0.19 0.31 -0.08 0.00 0.00 0.00 0.00 53.44 53.48 3il3 n ALA 168 Cb 0.58 -2.15 -0.07 0.00 0.00 0.00 0.00 19.45 17.80 3il3 n ALA 168 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3il3 s SER 169 N -0.54 -0.35 0.45 0.00 0.15 0.18 -4.81 113.70 108.78 3il3 s SER 169 Ca 0.60 0.66 0.24 0.00 0.70 0.00 0.00 55.95 58.15 3il3 s SER 169 Cb -0.58 0.67 0.53 0.00 -1.71 0.00 0.00 66.02 64.93 3il3 s SER 169 CO 0.59 -0.12 1.68 -0.33 1.20 0.00 0.00 173.24 176.25 3il3 h GLU 170 N 3.87 0.00 -6.85 5.44 5.08 -1.94 -0.96 114.58 119.22 3il3 h GLU 170 Ca -0.27 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.58 3il3 h GLU 170 Cb 1.18 0.00 0.22 0.00 0.50 0.00 0.00 28.75 30.65 3il3 h GLU 170 CO 0.13 0.04 -0.54 1.04 -1.00 0.00 0.00 179.01 178.68 3il3 n GLN 171 N -3.12 -0.72 -2.73 2.33 6.02 -1.26 -4.91 117.38 113.00 3il3 n GLN 171 Ca 0.03 -0.17 -0.41 0.00 -0.01 0.00 0.00 57.00 56.44 3il3 n GLN 171 Cb 0.50 -1.91 -0.05 0.00 1.02 0.00 0.00 30.24 29.80 3il3 n GLN 171 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3il3 s GLU 172 N -3.78 4.73 0.00 -1.09 2.12 -1.26 -4.72 118.70 114.70 3il3 s GLU 172 Ca 0.59 1.47 0.00 0.00 0.36 0.00 0.00 54.97 57.39 3il3 s GLU 172 Cb -0.20 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.84 3il3 s GLU 172 CO 0.66 0.27 0.00 0.41 -0.54 0.00 0.00 175.26 176.06 3il3 n GLY 173 N 2.09 1.26 3.53 -1.50 0.00 -1.26 -4.75 105.19 104.55 3il3 n GLY 173 Ca 0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3il3 n GLY 173 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3il3 s ILE 174 N 0.63 4.08 0.16 -0.61 1.01 -0.34 0.12 121.20 126.24 3il3 s ILE 174 Ca 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 3il3 s ILE 174 Cb 0.00 -4.94 0.03 0.00 0.01 0.00 0.00 42.46 37.56 3il3 s ILE 174 CO 0.00 -1.79 1.73 0.40 0.00 0.00 0.00 174.94 175.28 3il3 h ILE 175 N 6.38 0.84 -2.49 2.92 5.03 -1.72 -3.44 117.51 125.02 3il3 h ILE 175 Ca 0.05 -0.07 0.01 0.00 -0.12 0.00 0.00 64.86 64.73 3il3 h ILE 175 Cb 1.03 0.61 -0.00 0.00 -3.03 0.00 0.00 36.82 35.43 3il3 h ILE 175 CO 1.31 0.04 0.22 -1.54 -0.68 0.00 0.00 178.15 177.50 3il3 n SER 176 N -5.08 -1.32 -3.68 1.72 3.41 -1.21 -5.02 113.62 102.44 3il3 n SER 176 Ca 0.01 -1.86 -0.15 0.00 -0.26 0.00 0.00 58.87 56.62 3il3 n SER 176 Cb 0.15 2.18 -0.08 0.00 -0.26 0.00 0.00 64.21 66.20 3il3 n SER 176 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3il3 s THR 177 N -2.40 0.03 -0.05 6.66 -4.23 -1.26 -2.59 115.64 111.80 3il3 s THR 177 Ca 0.11 -0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.40 3il3 s THR 177 Cb -0.03 -0.74 0.03 0.00 1.34 0.00 0.00 72.50 73.11 3il3 s THR 177 CO 0.06 -0.12 0.01 -1.00 -0.54 0.00 0.00 174.62 173.04 3il3 s HIS 178 N -0.83 0.38 -0.02 3.99 3.76 -0.50 -4.97 115.29 117.11 3il3 s HIS 178 Ca -0.09 0.00 0.02 0.00 -0.15 0.00 0.00 55.06 54.84 3il3 s HIS 178 Cb -0.03 -0.56 0.00 0.00 1.11 0.00 0.00 32.58 33.10 3il3 s HIS 178 CO 0.05 -0.21 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.14 3il3 s LEU 179 N 1.60 1.81 0.35 0.89 1.43 -1.26 0.05 118.68 123.54 3il3 s LEU 179 Ca -0.02 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3il3 s LEU 179 Cb -0.13 -0.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.62 3il3 s LEU 179 CO -0.03 0.06 0.39 -1.00 0.23 0.00 0.00 176.35 176.00 3il3 s HIS 180 N 0.16 1.46 0.00 0.29 3.76 0.61 -4.99 115.29 116.57 3il3 s HIS 180 Ca -0.02 -1.51 0.00 0.00 -0.15 0.00 0.00 55.06 53.38 3il3 s HIS 180 Cb -0.07 -0.40 0.00 0.00 1.11 0.00 0.00 32.58 33.22 3il3 s HIS 180 CO 0.00 -1.03 0.00 0.00 -0.85 0.00 0.00 174.74 172.86 3il3 n ALA 181 N -0.62 0.00 -2.87 -1.40 0.00 -1.26 -2.35 120.51 112.02 3il3 n ALA 181 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 3il3 n ALA 181 Cb 0.62 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.91 3il3 n ALA 181 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3il3 s SER 182 N 0.00 1.47 0.05 0.00 0.15 -0.66 -4.96 113.70 109.75 3il3 s SER 182 Ca 0.00 -0.23 -0.32 0.00 0.70 0.00 0.00 55.95 56.10 3il3 s SER 182 Cb 0.00 -0.32 -0.11 0.00 -1.71 0.00 0.00 66.02 63.88 3il3 s SER 182 CO 0.00 0.11 1.85 0.00 1.20 0.00 0.00 173.24 176.40 3il3 n ALA 183 N 3.09 1.59 -2.74 5.45 0.00 -1.26 0.73 120.51 127.37 3il3 n ALA 183 Ca -0.17 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 3il3 n ALA 183 Cb 0.54 -2.56 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 3il3 n ALA 183 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3il3 s ASP 184 N 3.31 6.31 0.00 0.00 2.15 -0.92 -4.70 116.67 122.81 3il3 s ASP 184 Ca 0.86 -1.12 0.25 0.00 0.43 0.00 0.00 52.55 52.97 3il3 s ASP 184 Cb -0.55 -2.48 0.47 0.00 -0.30 0.00 0.00 42.92 40.06 3il3 s ASP 184 CO 0.42 -1.49 1.42 0.29 -0.17 0.00 0.00 175.17 175.64 3il3 n LYS 185 N 8.15 2.16 0.00 4.34 5.02 -1.26 -3.94 118.16 132.63 3il3 n LYS 185 Ca 0.09 -1.71 0.11 0.00 -2.02 0.00 0.00 58.31 54.78 3il3 n LYS 185 Cb 0.48 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 34.03 3il3 n LYS 185 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3il3 n ASN 186 N 1.03 2.16 -2.74 4.39 3.02 -1.26 -4.97 115.26 116.89 3il3 n ASN 186 Ca 0.16 -1.58 -0.21 0.00 -0.03 0.00 0.00 54.58 52.92 3il3 n ASN 186 Cb 0.52 0.39 0.02 0.00 -0.61 0.00 0.00 39.78 40.10 3il3 n ASN 186 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3il3 n ASN 187 N 0.22 -5.98 0.17 6.41 4.13 -1.25 -4.87 115.26 114.09 3il3 n ASN 187 Ca 0.10 -0.19 0.06 0.00 1.68 0.00 0.00 54.58 56.22 3il3 n ASN 187 Cb 0.48 -4.86 0.53 0.00 -1.54 0.00 0.00 39.78 34.39 3il3 n ASN 187 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3il3 h ALA 188 N 0.98 1.80 -2.02 5.41 0.00 -1.91 -3.41 119.26 120.12 3il3 h ALA 188 Ca -0.51 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.08 3il3 h ALA 188 Cb 1.36 -0.06 -0.31 0.00 0.00 0.00 0.00 17.79 18.78 3il3 h ALA 188 CO 0.56 0.16 -0.57 -1.17 0.00 0.00 0.00 179.25 178.23 3il3 s LEU 189 N -9.04 -0.46 0.01 0.00 2.96 -1.26 0.41 118.68 111.29 3il3 s LEU 189 Ca -0.06 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 3il3 s LEU 189 Cb 0.17 0.79 -0.01 0.00 0.50 0.00 0.00 46.19 47.64 3il3 s LEU 189 CO 0.70 -0.35 -0.02 0.68 -1.32 0.00 0.00 176.35 176.04 3il3 s VAL 190 N 2.45 0.09 -0.22 1.68 -7.23 -0.87 -4.53 120.40 111.77 3il3 s VAL 190 Ca 0.10 -0.26 -0.01 0.00 -1.81 0.00 0.00 61.98 59.99 3il3 s VAL 190 Cb -0.14 -0.12 0.06 0.00 0.56 0.00 0.00 36.38 36.74 3il3 s VAL 190 CO -0.26 -0.11 -0.00 -0.22 -0.31 0.00 0.00 175.10 174.19 3il3 s LEU 191 N -0.39 1.93 0.76 1.32 0.20 -1.26 -0.62 118.68 120.62 3il3 s LEU 191 Ca -0.04 -1.05 -0.11 0.00 0.69 0.00 0.00 54.13 53.63 3il3 s LEU 191 Cb -0.03 -0.90 0.06 0.00 -0.43 0.00 0.00 46.19 44.90 3il3 s LEU 191 CO -0.00 -0.28 1.13 0.00 -0.29 0.00 0.00 176.35 176.91 3il3 s ALA 192 N 1.62 2.79 0.80 5.97 0.00 -1.26 -5.03 121.76 126.64 3il3 s ALA 192 Ca -0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.22 3il3 s ALA 192 Cb -0.18 -2.93 0.07 0.00 0.00 0.00 0.00 23.12 20.08 3il3 s ALA 192 CO -0.08 -1.47 1.09 -0.65 0.00 0.00 0.00 175.76 174.66 3il3 s GLN 193 N -5.47 2.04 0.29 0.00 -1.52 -1.26 -4.23 119.66 109.51 3il3 s GLN 193 Ca 0.60 0.68 -0.29 0.00 -1.95 0.00 0.00 55.36 54.41 3il3 s GLN 193 Cb -0.11 -1.91 -0.10 0.00 -0.22 0.00 0.00 33.01 30.67 3il3 s GLN 193 CO 0.49 -1.66 1.33 -2.14 -0.25 0.00 0.00 175.29 173.06 3il3 s PRO 194 N -5.12 4.35 -0.22 2.91 0.02 -1.26 -3.50 135.00 132.17 3il3 s PRO 194 Ca 0.61 2.20 -0.07 0.00 0.02 0.00 0.00 61.00 63.76 3il3 s PRO 194 Cb -0.15 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 3il3 s PRO 194 CO 0.55 -0.24 0.07 -1.21 -0.33 0.00 0.00 177.00 175.83 3il3 s GLU 195 N -1.25 3.77 0.06 5.54 2.02 -1.26 -4.92 118.70 122.66 3il3 s GLU 195 Ca 0.52 -0.43 -0.14 0.00 0.02 0.00 0.00 54.97 54.94 3il3 s GLU 195 Cb -0.40 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 3il3 s GLU 195 CO 0.49 -0.01 1.23 0.00 0.02 0.00 0.00 175.26 176.99 3il3 h ARG 196 N 7.64 -0.12 -2.05 1.61 3.08 -2.00 -1.18 114.38 121.35 3il3 h ARG 196 Ca -0.37 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.59 3il3 h ARG 196 Cb 1.18 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 3il3 h ARG 196 CO 0.62 -0.08 -0.18 0.41 -1.07 0.00 0.00 179.97 179.67 3il3 n GLY 197 N -1.15 2.60 3.23 0.04 0.00 -1.26 -4.70 105.19 103.97 3il3 n GLY 197 Ca -0.01 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 3il3 n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3il3 s ILE 198 N 0.75 0.09 0.00 -0.61 1.01 -0.45 -5.04 121.20 116.95 3il3 s ILE 198 Ca 0.35 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3il3 s ILE 198 Cb 0.17 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.72 3il3 s ILE 198 CO 0.00 -0.39 0.03 -0.62 0.00 0.00 0.00 174.94 173.96 3il3 n GLU 199 N 0.64 5.48 -3.30 2.79 1.02 -1.26 -4.64 120.64 121.37 3il3 n GLU 199 Ca -0.19 -0.03 -0.34 0.00 -0.02 0.00 0.00 57.16 56.58 3il3 n GLU 199 Cb 0.59 -0.47 -0.05 0.00 -0.02 0.00 0.00 31.44 31.50 3il3 n GLU 199 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3il3 n LYS 200 N -0.79 3.23 -3.76 3.49 4.01 -1.26 -5.02 118.16 118.06 3il3 n LYS 200 Ca 0.00 -4.61 -0.11 0.00 -0.51 0.00 0.00 58.31 53.08 3il3 n LYS 200 Cb 0.00 -2.36 -0.07 0.00 -0.51 0.00 0.00 35.03 32.09 3il3 n LYS 200 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3il3 s SER 201 N -2.00 -0.10 -0.86 4.39 1.04 -1.26 -4.91 113.70 110.00 3il3 s SER 201 Ca 0.35 -0.27 -0.03 0.00 0.48 0.00 0.00 55.95 56.49 3il3 s SER 201 Cb 0.09 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3il3 s SER 201 CO 0.02 -0.65 0.37 0.61 0.98 0.00 0.00 173.24 174.57 3il3 n GLY 202 N 0.42 0.02 3.39 7.32 0.00 -1.23 -4.72 105.19 110.40 3il3 n GLY 202 Ca -0.18 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 3il3 n GLY 202 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3il3 s TYR 203 N -2.92 2.83 -0.03 1.61 4.12 -1.26 -4.65 117.35 117.05 3il3 s TYR 203 Ca 0.19 -0.60 -0.35 0.00 0.02 0.00 0.00 57.07 56.33 3il3 s TYR 203 Cb -0.08 -1.85 -0.13 0.00 -1.52 0.00 0.00 41.96 38.38 3il3 s TYR 203 CO 0.23 -0.18 1.74 -0.89 0.02 0.00 0.00 175.55 176.46 3il3 n ILE 204 N 3.49 0.34 -4.01 2.71 5.41 0.77 -4.59 119.36 123.47 3il3 n ILE 204 Ca -0.18 -0.06 -0.34 0.00 1.00 0.00 0.00 62.75 63.17 3il3 n ILE 204 Cb 0.53 -1.62 -0.15 0.00 -0.71 0.00 0.00 39.64 37.69 3il3 n ILE 204 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3il3 s GLU 205 N 2.83 2.68 -0.02 0.38 2.02 0.21 -4.70 118.70 122.10 3il3 s GLU 205 Ca 0.89 -1.07 0.07 0.00 0.02 0.00 0.00 54.97 54.88 3il3 s GLU 205 Cb -0.75 -2.91 -0.02 0.00 0.10 0.00 0.00 34.13 30.55 3il3 s GLU 205 CO 0.49 -0.43 -0.24 1.41 0.02 0.00 0.00 175.26 176.51 3il3 s MET 206 N 1.26 2.00 -0.76 1.61 1.75 -1.26 -2.05 119.30 121.85 3il3 s MET 206 Ca -0.02 -0.87 -0.16 0.00 -1.25 0.00 0.00 55.69 53.40 3il3 s MET 206 Cb -0.17 -1.91 0.17 0.00 2.84 0.00 0.00 34.83 35.75 3il3 s MET 206 CO -0.06 0.51 0.78 -0.65 -0.65 0.00 0.00 175.02 174.95 3il3 s GLN 207 N -0.53 3.41 0.22 4.11 -1.52 0.16 -4.97 119.66 120.54 3il3 s GLN 207 Ca 0.08 -2.02 -0.07 0.00 -1.95 0.00 0.00 55.36 51.41 3il3 s GLN 207 Cb -0.10 -4.46 0.19 0.00 -0.22 0.00 0.00 33.01 28.42 3il3 s GLN 207 CO -0.01 -1.43 1.77 0.78 -0.25 0.00 0.00 175.29 176.16 3il3 h GLY 208 N 8.81 1.19 0.61 3.09 0.00 -1.96 -2.94 103.07 111.87 3il3 h GLY 208 Ca -0.02 -0.69 0.03 0.00 0.00 0.00 0.00 47.33 46.65 3il3 h GLY 208 CO 0.92 0.65 -0.11 -0.57 0.00 0.00 0.00 176.54 177.43 3il3 h ASN 209 N 1.07 -0.34 0.38 0.19 -1.24 -1.97 -2.46 115.58 111.22 3il3 h ASN 209 Ca 0.24 0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.29 3il3 h ASN 209 Cb 0.29 0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.50 3il3 h ASN 209 CO -0.01 -0.15 -0.18 -0.33 -1.29 0.00 0.00 177.43 175.47 3il3 h GLU 210 N -0.14 -0.49 -1.00 6.67 4.39 -1.94 -3.09 114.58 118.98 3il3 h GLU 210 Ca 0.07 0.03 0.21 0.00 0.34 0.00 0.00 59.36 60.01 3il3 h GLU 210 Cb 0.25 0.11 -0.19 0.00 -0.10 0.00 0.00 28.75 28.82 3il3 h GLU 210 CO -0.18 -0.19 -0.23 1.15 -1.16 0.00 0.00 179.01 178.41 3il3 h THR 211 N -0.99 0.00 -0.38 1.13 2.02 -1.54 -1.32 112.91 111.83 3il3 h THR 211 Ca -0.05 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3il3 h THR 211 Cb 0.53 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3il3 h THR 211 CO 0.09 0.00 0.15 0.15 0.37 0.00 0.00 175.52 176.28 3il3 h PHE 212 N 0.00 0.58 -0.54 3.16 3.57 -1.43 0.31 116.94 122.58 3il3 h PHE 212 Ca 0.49 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.91 3il3 h PHE 212 Cb 0.77 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 3il3 h PHE 212 CO -0.75 0.52 0.20 0.87 -2.23 0.00 0.00 178.31 176.92 3il3 h LYS 213 N 0.47 0.83 -0.17 1.11 1.57 -1.23 -2.47 116.57 116.67 3il3 h LYS 213 Ca 0.13 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3il3 h LYS 213 Cb 0.18 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3il3 h LYS 213 CO -0.01 0.74 0.11 1.25 -0.57 0.00 0.00 179.45 180.96 3il3 h LEU 214 N 0.74 0.20 -0.43 2.94 7.12 -0.76 -3.07 115.31 122.06 3il3 h LEU 214 Ca 0.18 -0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.19 3il3 h LEU 214 Cb 0.23 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 40.27 3il3 h LEU 214 CO -0.01 0.18 0.19 0.00 -0.13 0.00 0.00 178.44 178.67 3il3 h ALA 215 N 1.03 0.53 -0.88 1.25 0.00 -0.24 -2.41 119.26 118.54 3il3 h ALA 215 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3il3 h ALA 215 Cb 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3il3 h ALA 215 CO -0.01 -0.18 0.56 0.28 0.00 0.00 0.00 179.25 179.90 3il3 h VAL 216 N 0.39 1.23 -0.05 0.00 2.07 -1.35 -0.20 116.25 118.34 3il3 h VAL 216 Ca 0.19 -0.46 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 3il3 h VAL 216 Cb 0.13 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3il3 h VAL 216 CO -0.15 0.23 -0.46 -0.09 0.02 0.00 0.00 177.57 177.12 3il3 h ARG 217 N 1.20 0.41 -0.07 1.57 9.65 -1.45 -2.62 114.38 123.06 3il3 h ARG 217 Ca 0.32 -0.36 -0.10 0.00 -1.10 0.00 0.00 59.98 58.74 3il3 h ARG 217 Cb -0.10 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 3il3 h ARG 217 CO -0.07 1.02 -0.39 0.93 2.80 0.00 0.00 179.97 184.26 3il3 h GLU 218 N -0.08 0.15 0.00 0.20 4.39 -1.33 0.10 114.58 118.01 3il3 h GLU 218 Ca -0.04 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 3il3 h GLU 218 Cb 1.13 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3il3 h GLU 218 CO 0.09 0.52 -0.35 -0.07 -1.16 0.00 0.00 179.01 178.05 3il3 h LEU 219 N 0.13 0.00 0.02 1.33 3.38 -1.08 -1.18 115.31 117.91 3il3 h LEU 219 Ca 0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 3il3 h LEU 219 Cb 0.76 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 3il3 h LEU 219 CO 0.06 0.35 -1.45 0.28 0.09 0.00 0.00 178.44 177.76 3il3 h SER 220 N 0.00 0.07 -0.27 -0.43 0.02 -0.99 -2.84 113.55 109.11 3il3 h SER 220 Ca -0.00 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3il3 h SER 220 Cb 0.86 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 3il3 h SER 220 CO 0.04 1.09 0.13 0.78 -1.14 0.00 0.00 176.83 177.74 3il3 h ASN 221 N 0.01 0.35 0.11 3.07 2.35 -0.67 -2.22 115.58 118.58 3il3 h ASN 221 Ca -0.19 -0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 55.25 3il3 h ASN 221 Cb 1.93 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 40.21 3il3 h ASN 221 CO 0.11 0.38 -0.67 1.62 -1.65 0.00 0.00 177.43 177.22 3il3 h VAL 222 N 0.30 1.34 -0.34 2.81 3.04 -1.29 0.68 116.25 122.79 3il3 h VAL 222 Ca 0.09 -1.98 -0.05 0.00 -1.01 0.00 0.00 66.70 63.75 3il3 h VAL 222 Cb 0.12 1.96 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 3il3 h VAL 222 CO -0.01 0.61 0.01 -0.37 -1.01 0.00 0.00 177.57 176.79 3il3 h VAL 223 N 0.37 1.26 -0.70 1.51 -1.51 -1.54 0.48 116.25 116.13 3il3 h VAL 223 Ca -0.02 -0.95 0.05 0.00 -1.23 0.00 0.00 66.70 64.55 3il3 h VAL 223 Cb 1.24 1.21 -0.04 0.00 -2.13 0.00 0.00 31.29 31.57 3il3 h VAL 223 CO 0.12 0.31 0.46 -0.08 -1.23 0.00 0.00 177.57 177.15 3il3 h GLU 224 N 0.40 0.77 -0.42 5.19 4.81 -1.16 0.24 114.58 124.42 3il3 h GLU 224 Ca 0.10 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 3il3 h GLU 224 Cb 0.44 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3il3 h GLU 224 CO 0.02 0.51 -0.03 1.49 -0.73 0.00 0.00 179.01 180.27 3il3 h GLU 225 N 0.79 0.69 -0.10 1.92 4.81 -0.38 -1.11 114.58 121.20 3il3 h GLU 225 Ca 0.29 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 3il3 h GLU 225 Cb 0.14 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3il3 h GLU 225 CO -0.09 0.72 -0.39 1.15 -0.73 0.00 0.00 179.01 179.68 3il3 h THR 226 N 0.64 1.30 0.11 0.32 2.02 0.12 -1.58 112.91 115.84 3il3 h THR 226 Ca 0.13 -1.44 -0.28 0.00 0.77 0.00 0.00 66.41 65.58 3il3 h THR 226 Cb 0.44 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3il3 h THR 226 CO 0.02 0.43 -1.44 -0.07 0.37 0.00 0.00 175.52 174.83 3il3 h LEU 227 N 0.18 0.37 0.34 2.58 3.38 -1.29 -3.17 115.31 117.69 3il3 h LEU 227 Ca 0.02 -0.85 -0.01 0.00 0.09 0.00 0.00 57.88 57.13 3il3 h LEU 227 Cb 0.77 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3il3 h LEU 227 CO 0.06 1.63 -0.37 -0.07 0.09 0.00 0.00 178.44 179.78 3il3 h LEU 228 N -0.30 -1.02 -1.96 1.67 3.38 -1.20 -0.51 115.31 115.37 3il3 h LEU 228 Ca -0.31 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3il3 h LEU 228 Cb 1.77 0.34 0.00 0.00 0.09 0.00 0.00 40.66 42.86 3il3 h LEU 228 CO 0.05 -0.48 0.28 0.00 0.09 0.00 0.00 178.44 178.39 3il3 h ALA 229 N -1.11 1.27 -0.25 1.53 0.00 -1.47 -1.60 119.26 117.63 3il3 h ALA 229 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3il3 h ALA 229 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3il3 h ALA 229 CO -0.06 -0.27 -0.00 0.09 0.00 0.00 0.00 179.25 179.00 3il3 n ASN 230 N -2.80 3.76 -4.02 0.00 3.02 -0.61 -4.98 115.26 109.63 3il3 n ASN 230 Ca -0.02 -3.05 -0.39 0.00 -0.03 0.00 0.00 54.58 51.09 3il3 n ASN 230 Cb 0.33 -0.54 0.02 0.00 -0.61 0.00 0.00 39.78 38.97 3il3 n ASN 230 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3il3 n ASN 231 N -0.59 -3.45 -4.42 6.41 2.85 -0.60 -4.94 115.26 110.52 3il3 n ASN 231 Ca 0.21 -1.09 -0.21 0.00 -0.11 0.00 0.00 54.58 53.38 3il3 n ASN 231 Cb 0.88 -1.32 -0.10 0.00 1.24 0.00 0.00 39.78 40.48 3il3 n ASN 231 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3il3 s LEU 232 N -7.00 2.30 0.03 1.20 1.02 -0.30 -5.05 118.68 110.88 3il3 s LEU 232 Ca 0.40 -1.28 0.09 0.00 0.02 0.00 0.00 54.13 53.35 3il3 s LEU 232 Cb -0.22 -0.45 -0.03 0.00 0.02 0.00 0.00 46.19 45.50 3il3 s LEU 232 CO 0.82 -0.50 -0.25 -0.62 0.02 0.00 0.00 176.35 175.82 3il3 s ASP 233 N -3.44 3.28 0.59 2.29 3.68 -1.26 -4.63 116.67 117.18 3il3 s ASP 233 Ca 0.32 -0.53 0.31 0.00 2.13 0.00 0.00 52.55 54.79 3il3 s ASP 233 Cb 0.07 -0.36 1.18 0.00 -1.45 0.00 0.00 42.92 42.36 3il3 s ASP 233 CO 0.13 0.27 1.48 0.11 0.13 0.00 0.00 175.17 177.29 3il3 h LYS 234 N 4.88 0.00 0.00 4.34 1.57 -1.97 1.02 116.57 126.41 3il3 h LYS 234 Ca -0.46 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.22 3il3 h LYS 234 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 3il3 h LYS 234 CO 0.45 0.00 -0.48 0.87 -0.57 0.00 0.00 179.45 179.72 3il3 h LYS 235 N 0.00 0.00 -0.74 3.15 1.57 -1.89 -3.30 116.57 115.36 3il3 h LYS 235 Ca 0.52 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.27 3il3 h LYS 235 Cb 2.72 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 35.00 3il3 h LYS 235 CO -0.01 0.48 0.33 -0.44 -0.57 0.00 0.00 179.45 179.25 3il3 h ASP 236 N 0.00 0.99 -3.66 0.86 5.19 0.68 -3.43 116.42 117.05 3il3 h ASP 236 Ca -0.00 -0.15 -0.57 0.00 -0.62 0.00 0.00 57.03 55.69 3il3 h ASP 236 Cb 1.22 -0.25 0.15 0.00 0.18 0.00 0.00 39.33 40.62 3il3 h ASP 236 CO 0.06 0.86 0.30 0.18 -3.12 0.00 0.00 179.24 177.52 3il3 n LEU 237 N -4.38 4.22 -0.08 1.55 4.77 -1.24 -4.82 117.00 117.03 3il3 n LEU 237 Ca 0.06 0.90 -0.10 0.00 -0.03 0.00 0.00 56.01 56.83 3il3 n LEU 237 Cb 0.15 -1.45 -0.07 0.00 -2.33 0.00 0.00 43.42 39.72 3il3 n LEU 237 CO 0.39 -1.36 -0.99 0.47 -1.33 0.00 0.00 177.39 174.57 3il3 n ASP 238 N -0.70 2.82 -3.84 -1.43 8.00 -0.66 -4.98 116.55 115.75 3il3 n ASP 238 Ca 0.12 -0.08 -0.16 0.00 0.71 0.00 0.00 54.79 55.38 3il3 n ASP 238 Cb 0.45 -0.23 -0.16 0.00 -0.02 0.00 0.00 41.12 41.17 3il3 n ASP 238 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3il3 s TRP 239 N -2.30 0.29 -0.24 1.24 0.52 -0.97 -4.80 118.94 112.67 3il3 s TRP 239 Ca -0.20 -0.01 -0.13 0.00 0.02 0.00 0.00 56.10 55.78 3il3 s TRP 239 Cb 0.05 -0.35 -0.04 0.00 -1.15 0.00 0.00 33.47 31.98 3il3 s TRP 239 CO 0.35 -0.10 0.30 -1.17 0.02 0.00 0.00 176.95 176.35 3il3 s LEU 240 N 0.79 4.09 -0.45 2.99 2.96 -0.87 -1.10 118.68 127.09 3il3 s LEU 240 Ca -0.08 0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.08 3il3 s LEU 240 Cb -0.11 -2.32 0.12 0.00 0.50 0.00 0.00 46.19 44.38 3il3 s LEU 240 CO -0.01 -0.07 0.23 -0.69 -1.32 0.00 0.00 176.35 174.49 3il3 s VAL 241 N 1.55 3.13 0.30 1.68 1.01 -0.25 -1.18 120.40 126.64 3il3 s VAL 241 Ca 0.13 -2.43 0.06 0.00 0.00 0.00 0.00 61.98 59.74 3il3 s VAL 241 Cb -0.15 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 3il3 s VAL 241 CO 0.08 -0.73 0.42 -2.16 0.00 0.00 0.00 175.10 172.72 3il3 s PRO 242 N 0.70 3.24 0.39 2.72 0.04 -1.26 -2.88 135.00 137.93 3il3 s PRO 242 Ca 0.11 -0.92 -0.26 0.00 0.04 0.00 0.00 61.00 59.97 3il3 s PRO 242 Cb -0.22 -2.84 -0.11 0.00 0.04 0.00 0.00 34.50 31.37 3il3 s PRO 242 CO -0.04 0.21 1.21 1.58 0.04 0.00 0.00 177.00 180.00 3il3 n HIS 243 N -1.55 1.95 -2.92 0.56 -0.00 -0.48 -4.44 115.22 108.34 3il3 n HIS 243 Ca -0.04 0.54 -0.40 0.00 -0.00 0.00 0.00 57.72 57.83 3il3 n HIS 243 Cb 0.58 -2.35 0.00 0.00 -0.00 0.00 0.00 29.99 28.21 3il3 n HIS 243 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3il3 n GLN 244 N 0.27 4.52 -0.11 1.57 3.00 -1.26 -4.71 117.38 120.66 3il3 n GLN 244 Ca 0.07 -4.63 -0.22 0.00 -0.01 0.00 0.00 57.00 52.21 3il3 n GLN 244 Cb 0.38 -2.45 -0.10 0.00 0.00 0.00 0.00 30.24 28.06 3il3 n GLN 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3il3 n ALA 245 N 0.71 0.85 -3.47 -1.58 0.00 -1.26 -3.95 120.51 111.81 3il3 n ALA 245 Ca 0.34 -0.62 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 3il3 n ALA 245 Cb 0.32 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 19.31 3il3 n ALA 245 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3il3 s ASN 246 N -6.90 -0.57 0.28 0.00 3.84 -1.26 -4.80 114.94 105.52 3il3 s ASN 246 Ca -0.30 1.08 -0.02 0.00 0.21 0.00 0.00 52.86 53.84 3il3 s ASN 246 Cb 0.07 1.08 0.39 0.00 -0.55 0.00 0.00 41.25 42.24 3il3 s ASN 246 CO 0.54 -0.19 1.84 0.25 -2.79 0.00 0.00 177.10 176.76 3il3 h LEU 247 N 5.54 0.83 -0.24 3.21 5.85 -1.36 -1.77 115.31 127.37 3il3 h LEU 247 Ca -0.29 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.37 3il3 h LEU 247 Cb 1.18 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.93 3il3 h LEU 247 CO 0.18 0.77 -0.16 0.03 -0.34 0.00 0.00 178.44 178.92 3il3 h ARG 248 N 0.88 -0.14 0.07 1.25 -0.00 -1.86 -1.28 114.38 113.30 3il3 h ARG 248 Ca 0.20 0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.70 3il3 h ARG 248 Cb 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.20 3il3 h ARG 248 CO -0.01 -0.09 -0.28 0.82 0.00 0.00 0.00 179.97 180.41 3il3 h ILE 249 N -0.14 0.00 -0.93 2.04 1.08 -1.74 -0.90 117.51 116.91 3il3 h ILE 249 Ca 0.13 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.83 3il3 h ILE 249 Cb 0.35 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.92 3il3 h ILE 249 CO -0.33 0.00 -0.05 0.40 -0.69 0.00 0.00 178.15 177.48 3il3 h ILE 250 N -0.40 0.10 -0.49 -0.67 2.04 -1.22 0.21 117.51 117.08 3il3 h ILE 250 Ca -0.00 -0.01 -0.13 0.00 1.00 0.00 0.00 64.86 65.71 3il3 h ILE 250 Cb 0.40 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3il3 h ILE 250 CO -0.15 0.01 -0.21 0.74 0.00 0.00 0.00 178.15 178.54 3il3 h THR 251 N 0.03 1.27 -0.99 -0.27 2.02 -0.85 0.12 112.91 114.23 3il3 h THR 251 Ca 0.52 -1.37 0.20 0.00 0.77 0.00 0.00 66.41 66.53 3il3 h THR 251 Cb 0.97 1.10 -0.11 0.00 -1.74 0.00 0.00 68.15 68.37 3il3 h THR 251 CO -0.88 0.48 0.59 0.00 0.37 0.00 0.00 175.52 176.07 3il3 h ALA 252 N 0.88 1.66 0.05 6.16 0.00 0.80 0.27 119.26 129.08 3il3 h ALA 252 Ca 0.11 0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 3il3 h ALA 252 Cb 0.79 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3il3 h ALA 252 CO 0.07 -0.11 -1.17 1.15 0.00 0.00 0.00 179.25 179.19 3il3 h THR 253 N 0.70 1.55 0.00 0.00 2.02 -0.49 -1.65 112.91 115.04 3il3 h THR 253 Ca 0.59 -3.21 -0.05 0.00 0.77 0.00 0.00 66.41 64.50 3il3 h THR 253 Cb 0.96 2.85 -0.01 0.00 -1.74 0.00 0.00 68.15 70.21 3il3 h THR 253 CO -0.41 0.91 -0.26 0.00 0.37 0.00 0.00 175.52 176.13 3il3 h ALA 254 N 0.82 1.28 0.00 6.16 0.00 0.40 -1.73 119.26 126.18 3il3 h ALA 254 Ca -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3il3 h ALA 254 Cb 1.87 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3il3 h ALA 254 CO 0.15 0.33 -0.05 -0.22 0.00 0.00 0.00 179.25 179.46 3il3 h LYS 255 N 0.00 0.03 -0.65 0.00 3.64 -0.34 0.76 116.57 120.01 3il3 h LYS 255 Ca -0.00 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3il3 h LYS 255 Cb 0.57 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.32 3il3 h LYS 255 CO 0.03 0.83 0.25 -0.22 -2.27 0.00 0.00 179.45 178.07 3il3 h LYS 256 N -0.75 0.41 0.00 1.90 1.63 -1.10 0.42 116.57 119.08 3il3 h LYS 256 Ca -0.01 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3il3 h LYS 256 Cb 0.85 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 3il3 h LYS 256 CO 0.01 0.27 0.00 1.28 -3.45 0.00 0.00 179.45 177.56 3il3 n LEU 257 N -4.99 0.01 -3.50 5.20 4.77 -0.67 -4.90 117.00 112.92 3il3 n LEU 257 Ca 0.10 0.50 -0.17 0.00 -0.03 0.00 0.00 56.01 56.42 3il3 n LEU 257 Cb 0.30 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3il3 n LEU 257 CO 0.21 -0.22 -0.04 -0.62 -1.33 0.00 0.00 177.39 175.40 3il3 n GLU 258 N -1.51 -1.52 -4.55 3.23 1.02 0.15 -4.67 120.64 112.78 3il3 n GLU 258 Ca 0.04 1.09 -0.21 0.00 -0.02 0.00 0.00 57.16 58.06 3il3 n GLU 258 Cb 0.19 -3.56 -0.15 0.00 -0.02 0.00 0.00 31.44 27.91 3il3 n GLU 258 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3il3 s MET 259 N -4.07 1.02 0.30 3.49 -1.94 0.26 -4.87 119.30 113.49 3il3 s MET 259 Ca 0.03 -0.48 -0.29 0.00 -1.71 0.00 0.00 55.69 53.24 3il3 s MET 259 Cb -0.00 -0.99 -0.10 0.00 2.01 0.00 0.00 34.83 35.75 3il3 s MET 259 CO 0.84 0.27 1.23 0.34 -0.01 0.00 0.00 175.02 177.69 3il3 s ASP 260 N -0.37 6.96 0.14 3.03 2.15 -1.26 -4.54 116.67 122.78 3il3 s ASP 260 Ca 0.05 2.51 0.10 0.00 0.43 0.00 0.00 52.55 55.64 3il3 s ASP 260 Cb -0.05 -2.64 0.53 0.00 -0.30 0.00 0.00 42.92 40.46 3il3 s ASP 260 CO -0.00 -0.39 1.31 0.23 -0.17 0.00 0.00 175.17 176.14 3il3 n MET 261 N 1.12 0.06 0.16 4.34 2.81 -1.26 -0.90 117.12 123.45 3il3 n MET 261 Ca 0.00 0.55 0.13 0.00 -1.81 0.00 0.00 57.70 56.57 3il3 n MET 261 Cb 0.43 -1.70 0.35 0.00 -0.71 0.00 0.00 33.22 31.59 3il3 n MET 261 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3il3 h SER 262 N 0.00 0.00 -0.44 7.83 4.64 -2.01 -2.59 113.55 120.97 3il3 h SER 262 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 3il3 h SER 262 Cb 0.02 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.98 3il3 h SER 262 CO 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 176.83 176.00 3il3 n GLN 263 N -2.63 2.03 -4.47 4.77 10.64 -0.08 -4.95 117.38 122.69 3il3 n GLN 263 Ca 0.04 -3.13 -0.29 0.00 -1.83 0.00 0.00 57.00 51.79 3il3 n GLN 263 Cb 0.43 -1.88 -0.13 0.00 -0.86 0.00 0.00 30.24 27.80 3il3 n GLN 263 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3il3 s VAL 264 N -3.22 2.28 -0.40 -0.39 1.01 -0.98 -2.04 120.40 116.67 3il3 s VAL 264 Ca 0.46 -1.68 -0.15 0.00 0.00 0.00 0.00 61.98 60.61 3il3 s VAL 264 Cb 0.41 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.81 3il3 s VAL 264 CO 0.02 0.14 0.32 -0.69 0.00 0.00 0.00 175.10 174.89 3il3 s VAL 265 N -1.02 5.23 -0.15 2.92 1.01 -0.33 -4.95 120.40 123.12 3il3 s VAL 265 Ca 0.14 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 3il3 s VAL 265 Cb -0.10 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 3il3 s VAL 265 CO 0.06 -0.29 -0.11 -0.69 0.00 0.00 0.00 175.10 174.06 3il3 s VAL 266 N 1.77 3.12 0.00 2.92 1.01 -1.26 -4.45 120.40 123.51 3il3 s VAL 266 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3il3 s VAL 266 Cb -0.18 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.86 3il3 s VAL 266 CO 0.11 0.51 0.19 0.35 0.00 0.00 0.00 175.10 176.25 3il3 n THR 267 N 3.75 0.00 0.25 3.92 -2.24 -1.26 -4.86 114.28 113.85 3il3 n THR 267 Ca -0.18 -0.23 0.13 0.00 -2.27 0.00 0.00 64.05 61.50 3il3 n THR 267 Cb 0.52 1.43 0.61 0.00 -2.10 0.00 0.00 70.33 70.79 3il3 n THR 267 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 3il3 h LEU 268 N 0.00 0.00 -2.30 3.22 8.10 -1.88 -1.81 115.31 120.63 3il3 h LEU 268 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 3il3 h LEU 268 Cb 0.22 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.44 3il3 h LEU 268 CO 0.00 0.13 -0.03 -2.24 -4.11 0.00 0.00 178.44 172.19 3il3 h ASP 269 N 0.00 0.00 0.00 0.17 2.03 -1.88 -1.21 116.42 115.53 3il3 h ASP 269 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3il3 h ASP 269 Cb 0.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 3il3 h ASP 269 CO 0.02 0.03 -0.78 2.29 -1.03 0.00 0.00 179.24 179.77 3il3 n LYS 270 N -3.84 1.85 0.00 4.15 2.85 -0.82 -0.66 118.16 121.69 3il3 n LYS 270 Ca -0.03 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 3il3 n LYS 270 Cb 0.12 -0.90 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 3il3 n LYS 270 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3il3 n TYR 271 N -1.40 0.00 -4.18 5.58 0.53 -0.74 -4.05 117.16 112.89 3il3 n TYR 271 Ca -0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3il3 n TYR 271 Cb 0.03 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.34 3il3 n TYR 271 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3il3 n ALA 272 N -0.57 0.00 -3.00 -0.72 0.00 -0.46 -4.31 120.51 111.45 3il3 n ALA 272 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 3il3 n ALA 272 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 3il3 n ALA 272 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3il3 s ASN 273 N -4.00 6.19 0.00 0.00 3.84 -0.51 -4.68 114.94 115.79 3il3 s ASN 273 Ca 0.00 -1.31 0.09 0.00 0.21 0.00 0.00 52.86 51.86 3il3 s ASN 273 Cb 0.00 -2.27 0.48 0.00 -0.55 0.00 0.00 41.25 38.91 3il3 s ASN 273 CO 0.00 -0.95 1.32 0.59 -2.79 0.00 0.00 177.10 175.27 3il3 n ASN 274 N 5.98 0.32 0.00 -4.21 5.03 -1.26 -1.25 115.26 119.87 3il3 n ASN 274 Ca -0.10 -1.77 0.00 0.00 0.87 0.00 0.00 54.58 53.58 3il3 n ASN 274 Cb 0.43 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.16 3il3 n ASN 274 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3il3 n SER 275 N -0.43 0.00 -0.26 6.41 7.64 -1.26 -2.28 113.62 123.43 3il3 n SER 275 Ca 0.07 0.00 0.24 0.00 1.01 0.00 0.00 58.87 60.19 3il3 n SER 275 Cb 0.08 0.00 0.58 0.00 -1.01 0.00 0.00 64.21 63.86 3il3 n SER 275 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3il3 h ALA 276 N -0.45 2.46 0.00 -0.43 0.00 -1.85 0.64 119.26 119.62 3il3 h ALA 276 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3il3 h ALA 276 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3il3 h ALA 276 CO 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 179.25 178.48 3il3 n ALA 277 N -2.58 2.22 0.03 0.00 0.00 -0.97 -4.16 120.51 115.06 3il3 n ALA 277 Ca 0.21 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 3il3 n ALA 277 Cb 0.87 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 3il3 n ALA 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3il3 h THR 278 N 0.00 1.16 -0.05 0.00 1.03 -1.05 -2.42 112.91 111.58 3il3 h THR 278 Ca 0.00 -1.02 -0.14 0.00 -0.01 0.00 0.00 66.41 65.24 3il3 h THR 278 Cb 0.02 1.80 0.01 0.00 -1.07 0.00 0.00 68.15 68.90 3il3 h THR 278 CO 0.00 0.24 -0.51 0.58 -0.01 0.00 0.00 175.52 175.83 3il3 h VAL 279 N -0.60 1.41 -0.50 0.00 2.07 -1.78 -2.71 116.25 114.15 3il3 h VAL 279 Ca -0.01 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 65.57 3il3 h VAL 279 Cb 0.49 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 3il3 h VAL 279 CO 0.02 0.56 0.24 1.55 0.02 0.00 0.00 177.57 179.96 3il3 h PRO 280 N -0.04 0.69 -0.25 1.57 0.13 -1.79 0.46 132.00 132.76 3il3 h PRO 280 Ca -0.05 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 64.95 3il3 h PRO 280 Cb 1.19 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3il3 h PRO 280 CO 0.10 0.54 -0.05 0.28 -0.23 0.00 0.00 178.00 178.64 3il3 h VAL 281 N 0.69 1.28 0.44 1.56 2.07 -1.51 -1.68 116.25 119.10 3il3 h VAL 281 Ca 0.17 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 3il3 h VAL 281 Cb 0.07 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3il3 h VAL 281 CO -0.02 0.33 -0.27 0.00 0.02 0.00 0.00 177.57 177.62 3il3 h ALA 282 N 0.77 -1.10 -0.99 1.67 0.00 -1.01 -0.86 119.26 117.74 3il3 h ALA 282 Ca 0.06 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.01 3il3 h ALA 282 Cb 0.51 0.39 -0.17 0.00 0.00 0.00 0.00 17.79 18.52 3il3 h ALA 282 CO 0.02 -1.08 -0.33 -0.11 0.00 0.00 0.00 179.25 177.76 3il3 n LEU 283 N -4.03 -0.52 -0.05 0.00 7.94 0.15 -1.37 117.00 119.12 3il3 n LEU 283 Ca -0.08 1.71 -0.11 0.00 -1.11 0.00 0.00 56.01 56.42 3il3 n LEU 283 Cb 0.28 -0.44 -0.05 0.00 0.53 0.00 0.00 43.42 43.74 3il3 n LEU 283 CO 0.19 -1.58 0.87 -0.78 -1.11 0.00 0.00 177.39 174.98 3il3 h ASP 284 N 0.00 0.24 -0.03 1.96 3.58 -1.04 -1.00 116.42 120.12 3il3 h ASP 284 Ca 0.40 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 3il3 h ASP 284 Cb 0.64 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 3il3 h ASP 284 CO -0.99 0.31 -0.01 -0.33 -2.88 0.00 0.00 179.24 175.33 3il3 h GLU 285 N 0.15 0.13 0.01 0.28 5.08 0.10 -0.78 114.58 119.56 3il3 h GLU 285 Ca 0.06 -0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.17 3il3 h GLU 285 Cb 0.14 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3il3 h GLU 285 CO -0.01 0.16 -0.96 0.00 -1.00 0.00 0.00 179.01 177.20 3il3 h ALA 286 N 1.86 0.34 -0.14 3.43 0.00 -0.49 -2.63 119.26 121.62 3il3 h ALA 286 Ca 0.03 -0.72 -0.05 0.00 0.00 0.00 0.00 54.91 54.18 3il3 h ALA 286 Cb 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3il3 h ALA 286 CO 0.00 0.81 -0.09 0.82 0.00 0.00 0.00 179.25 180.80 3il3 h ILE 287 N 0.23 1.33 0.00 0.00 2.04 -0.85 -0.12 117.51 120.15 3il3 h ILE 287 Ca -0.09 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 3il3 h ILE 287 Cb 1.61 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 39.49 3il3 h ILE 287 CO 0.17 0.34 -0.12 0.03 0.00 0.00 0.00 178.15 178.57 3il3 h ARG 288 N -0.05 0.00 -0.02 2.37 3.08 -1.13 -2.32 114.38 116.31 3il3 h ARG 288 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3il3 h ARG 288 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3il3 h ARG 288 CO 0.02 0.12 -0.26 -0.40 -1.07 0.00 0.00 179.97 178.39 3il3 n ASP 289 N -3.23 2.33 0.00 7.04 3.85 -0.99 -4.98 116.55 120.56 3il3 n ASP 289 Ca 0.01 -1.67 0.00 0.00 -0.71 0.00 0.00 54.79 52.42 3il3 n ASP 289 Cb 0.40 0.25 0.00 0.00 -1.35 0.00 0.00 41.12 40.42 3il3 n ASP 289 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3il3 n GLY 290 N 1.38 0.74 0.18 6.12 0.00 -0.87 -4.99 105.19 107.75 3il3 n GLY 290 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 3il3 n GLY 290 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3il3 h ARG 291 N 3.97 -0.34 -6.25 1.61 3.08 -1.31 -3.41 114.38 111.73 3il3 h ARG 291 Ca 0.00 0.02 -0.58 0.00 0.07 0.00 0.00 59.98 59.50 3il3 h ARG 291 Cb 0.00 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 3il3 h ARG 291 CO 0.00 0.02 0.79 0.42 -1.07 0.00 0.00 179.97 180.13 3il3 s ILE 292 N -3.79 4.54 0.03 2.04 1.01 -0.32 -4.98 121.20 119.73 3il3 s ILE 292 Ca -0.12 1.66 0.02 0.00 0.00 0.00 0.00 60.65 62.21 3il3 s ILE 292 Cb 0.01 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 3il3 s ILE 292 CO 0.45 -0.46 0.04 -1.10 0.00 0.00 0.00 174.94 173.87 3il3 s GLN 293 N 3.58 2.83 0.61 2.79 -1.52 -1.26 -4.55 119.66 122.15 3il3 s GLN 293 Ca 0.44 -0.64 -0.18 0.00 -1.95 0.00 0.00 55.36 53.03 3il3 s GLN 293 Cb -0.12 -2.70 -0.05 0.00 -0.22 0.00 0.00 33.01 29.91 3il3 s GLN 293 CO 0.15 0.60 0.86 -2.13 -0.25 0.00 0.00 175.29 174.53 3il3 n ARG 294 N 0.98 0.76 0.00 2.91 3.00 -1.26 -1.73 116.66 121.30 3il3 n ARG 294 Ca -0.12 0.30 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 3il3 n ARG 294 Cb 0.52 -2.07 0.00 0.00 0.00 0.00 0.00 32.46 30.91 3il3 n ARG 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3il3 n GLY 295 N 1.39 2.48 3.73 5.14 0.00 -0.25 -5.00 105.19 112.68 3il3 n GLY 295 Ca 0.13 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3il3 n GLY 295 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3il3 s GLN 296 N 0.00 1.73 -0.21 1.61 -0.21 -0.71 -4.67 119.66 117.20 3il3 s GLN 296 Ca 0.00 1.37 -0.07 0.00 0.02 0.00 0.00 55.36 56.68 3il3 s GLN 296 Cb 0.00 -1.82 -0.03 0.00 1.00 0.00 0.00 33.01 32.15 3il3 s GLN 296 CO 0.00 -2.07 0.05 -1.17 -2.12 0.00 0.00 175.29 169.98 3il3 s LEU 297 N -6.16 3.54 0.03 2.90 2.96 -1.26 -1.77 118.68 118.92 3il3 s LEU 297 Ca 0.64 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 54.50 3il3 s LEU 297 Cb -0.20 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 3il3 s LEU 297 CO 0.56 0.08 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.87 3il3 s LEU 298 N 0.91 3.30 -0.20 -0.68 1.02 0.33 -1.66 118.68 121.70 3il3 s LEU 298 Ca 0.03 -0.15 0.01 0.00 0.02 0.00 0.00 54.13 54.04 3il3 s LEU 298 Cb -0.14 -1.95 0.05 0.00 0.02 0.00 0.00 46.19 44.17 3il3 s LEU 298 CO 0.02 0.25 -0.08 -0.22 0.02 0.00 0.00 176.35 176.34 3il3 s LEU 299 N -1.74 2.25 0.11 1.79 1.98 -0.26 0.14 118.68 122.95 3il3 s LEU 299 Ca 0.20 -0.94 0.01 0.00 -2.89 0.00 0.00 54.13 50.50 3il3 s LEU 299 Cb -0.11 -1.15 -0.04 0.00 0.66 0.00 0.00 46.19 45.55 3il3 s LEU 299 CO 0.11 -0.18 0.26 -0.76 -1.89 0.00 0.00 176.35 173.89 3il3 s LEU 300 N 1.44 4.34 0.03 -0.68 1.43 0.03 -1.09 118.68 124.19 3il3 s LEU 300 Ca -0.02 0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 53.07 3il3 s LEU 300 Cb -0.17 -2.98 0.07 0.00 0.03 0.00 0.00 46.19 43.14 3il3 s LEU 300 CO -0.07 0.10 0.64 -0.70 0.23 0.00 0.00 176.35 176.55 3il3 s GLU 301 N -2.85 1.13 -0.13 1.70 -6.30 -1.14 -1.12 118.70 109.99 3il3 s GLU 301 Ca 0.35 -0.04 -0.30 0.00 -2.50 0.00 0.00 54.97 52.49 3il3 s GLU 301 Cb -0.12 0.53 0.11 0.00 0.00 0.00 0.00 34.13 34.65 3il3 s GLU 301 CO 0.28 -0.41 0.93 0.00 0.02 0.00 0.00 175.26 176.07 3il3 s ALA 302 N -2.19 -1.89 0.08 6.30 0.00 -0.65 -1.39 121.76 122.02 3il3 s ALA 302 Ca -0.06 1.49 0.06 0.00 0.00 0.00 0.00 51.96 53.45 3il3 s ALA 302 Cb -0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 3il3 s ALA 302 CO 0.01 -0.35 -0.17 0.12 0.00 0.00 0.00 175.76 175.37 3il3 s PHE 303 N -1.28 1.46 0.26 0.00 5.36 -1.26 -1.32 117.98 121.21 3il3 s PHE 303 Ca -0.03 -0.43 -0.21 0.00 -0.96 0.00 0.00 56.93 55.31 3il3 s PHE 303 Cb -0.00 -0.82 0.05 0.00 -0.34 0.00 0.00 43.02 41.91 3il3 s PHE 303 CO 0.02 0.11 0.88 0.20 -1.46 0.00 0.00 175.22 174.97 3il3 s GLY 304 N -1.69 0.06 0.68 13.12 0.00 0.65 -4.21 107.32 115.93 3il3 s GLY 304 Ca 0.02 -0.34 -0.17 0.00 0.00 0.00 0.00 44.72 44.23 3il3 s GLY 304 CO 0.03 0.45 1.24 -0.32 0.00 0.00 0.00 173.10 174.50 3il3 s GLY 305 N -3.09 2.60 0.00 0.20 0.00 -1.26 -1.50 107.32 104.28 3il3 s GLY 305 Ca 0.15 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.91 3il3 s GLY 305 CO 0.07 1.45 0.00 0.61 0.00 0.00 0.00 173.10 175.23 3il3 n GLY 306 N 0.62 0.60 3.81 0.20 0.00 -1.26 -3.59 105.19 105.57 3il3 n GLY 306 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3il3 n GLY 306 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3il3 s TRP 307 N 0.00 3.21 0.05 1.61 0.52 0.22 -2.16 118.94 122.40 3il3 s TRP 307 Ca 0.00 1.61 -0.00 0.00 0.02 0.00 0.00 56.10 57.73 3il3 s TRP 307 Cb 0.00 -2.96 -0.04 0.00 -1.15 0.00 0.00 33.47 29.33 3il3 s TRP 307 CO 0.00 -0.40 -0.04 0.95 0.02 0.00 0.00 176.95 177.48 3il3 s THR 308 N -2.03 0.28 -0.06 2.01 -4.23 -0.56 -1.66 115.64 109.40 3il3 s THR 308 Ca 0.63 -1.59 -0.31 0.00 -1.18 0.00 0.00 61.69 59.24 3il3 s THR 308 Cb -0.13 -1.22 0.11 0.00 1.34 0.00 0.00 72.50 72.60 3il3 s THR 308 CO 0.17 -0.84 1.06 -1.66 -0.54 0.00 0.00 174.62 172.81 3il3 s TRP 309 N -3.19 -0.21 -0.01 3.99 -2.14 -0.99 -0.25 118.94 116.14 3il3 s TRP 309 Ca 0.02 0.09 -0.30 0.00 2.66 0.00 0.00 56.10 58.56 3il3 s TRP 309 Cb 0.03 0.54 0.12 0.00 -3.10 0.00 0.00 33.47 31.06 3il3 s TRP 309 CO -0.07 -0.42 1.25 0.20 -2.66 0.00 0.00 176.95 175.25 3il3 s GLY 310 N -2.48 -0.39 0.24 3.67 0.00 -0.43 -0.28 107.32 107.64 3il3 s GLY 310 Ca 0.08 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.50 3il3 s GLY 310 CO -0.06 0.13 0.08 -1.35 0.00 0.00 0.00 173.10 171.90 3il3 s SER 311 N -2.94 1.14 -0.17 1.64 1.04 0.11 -1.64 113.70 112.87 3il3 s SER 311 Ca 0.14 -1.35 -0.07 0.00 0.48 0.00 0.00 55.95 55.15 3il3 s SER 311 Cb 0.04 0.17 0.08 0.00 0.10 0.00 0.00 66.02 66.40 3il3 s SER 311 CO -0.03 -0.71 0.38 0.00 0.98 0.00 0.00 173.24 173.85 3il3 s ALA 312 N -3.76 -0.98 -0.13 5.32 0.00 -0.28 -1.41 121.76 120.53 3il3 s ALA 312 Ca 0.36 1.37 -0.29 0.00 0.00 0.00 0.00 51.96 53.39 3il3 s ALA 312 Cb 0.07 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 3il3 s ALA 312 CO 0.12 -0.61 1.00 -1.17 0.00 0.00 0.00 175.76 175.09 3il3 s LEU 313 N 2.27 4.22 -0.10 0.00 2.96 -1.07 -0.79 118.68 126.18 3il3 s LEU 313 Ca -0.03 1.48 -0.02 0.00 -0.22 0.00 0.00 54.13 55.34 3il3 s LEU 313 Cb -0.11 -3.52 0.03 0.00 0.50 0.00 0.00 46.19 43.09 3il3 s LEU 313 CO -0.12 -0.47 0.01 -0.69 -1.32 0.00 0.00 176.35 173.76 3il3 s VAL 314 N 2.19 0.41 -0.36 1.68 1.01 0.12 -1.92 120.40 123.53 3il3 s VAL 314 Ca 0.47 -0.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.16 3il3 s VAL 314 Cb -0.18 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.58 3il3 s VAL 314 CO 0.16 0.16 0.99 -0.60 0.00 0.00 0.00 175.10 175.81 3il3 s ARG 315 N 1.95 3.92 0.00 2.72 3.52 0.32 0.12 118.95 131.51 3il3 s ARG 315 Ca 0.04 0.76 0.18 0.00 -0.13 0.00 0.00 55.73 56.58 3il3 s ARG 315 Cb -0.13 -3.78 1.10 0.00 -1.56 0.00 0.00 34.95 30.57 3il3 s ARG 315 CO -0.06 -0.95 1.49 0.34 -0.81 0.00 0.00 175.30 175.31