#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iec s ILE 50 N 0.00 -0.13 0.00 3.57 2.07 0.11 -4.92 121.20 121.91 3iec s ILE 50 Ca 0.00 0.33 0.00 0.00 -1.41 0.00 0.00 60.65 59.57 3iec s ILE 50 Cb 0.00 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.41 3iec s ILE 50 CO 0.00 0.14 0.00 0.61 -1.91 0.00 0.00 174.94 173.78 3iec n GLY 51 N 4.88 2.82 0.81 1.50 0.00 -1.26 -1.31 105.19 112.64 3iec n GLY 51 Ca -0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 46.02 45.64 3iec n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3iec n ASN 52 N 1.49 2.18 -4.15 1.61 3.02 -1.26 -4.86 115.26 113.28 3iec n ASN 52 Ca 0.00 -2.02 -0.26 0.00 -0.03 0.00 0.00 54.58 52.26 3iec n ASN 52 Cb 0.00 -0.51 -0.16 0.00 -0.61 0.00 0.00 39.78 38.51 3iec n ASN 52 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3iec s TYR 53 N -0.48 1.74 -0.27 3.10 1.51 -0.42 -0.80 117.35 121.72 3iec s TYR 53 Ca 0.01 -0.46 -0.15 0.00 -1.01 0.00 0.00 57.07 55.46 3iec s TYR 53 Cb 0.01 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 3iec s TYR 53 CO 0.00 -0.14 0.37 0.50 -1.11 0.00 0.00 175.55 175.17 3iec s ARG 54 N -0.09 3.99 0.25 -0.62 3.52 -0.06 0.10 118.95 126.04 3iec s ARG 54 Ca -0.01 0.00 -0.29 0.00 -0.13 0.00 0.00 55.73 55.30 3iec s ARG 54 Cb -0.11 -3.66 -0.09 0.00 -1.56 0.00 0.00 34.95 29.53 3iec s ARG 54 CO 0.02 -0.29 0.93 -0.51 -0.81 0.00 0.00 175.30 174.64 3iec s LEU 55 N 2.06 4.61 0.00 -0.88 1.43 -1.26 -0.98 118.68 123.66 3iec s LEU 55 Ca 0.14 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 3iec s LEU 55 Cb -0.16 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.42 3iec s LEU 55 CO 0.10 0.13 0.00 0.18 0.23 0.00 0.00 176.35 176.99 3iec n LEU 56 N 1.38 0.00 -4.77 1.79 4.77 0.26 -4.76 117.00 115.67 3iec n LEU 56 Ca -0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.63 3iec n LEU 56 Cb 0.47 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.61 3iec n LEU 56 CO 0.49 0.00 0.74 -1.59 -1.33 0.00 0.00 177.39 175.70 3iec s LYS 57 N 2.63 2.86 0.33 3.23 -2.85 -1.26 -4.41 119.74 120.29 3iec s LYS 57 Ca 0.00 1.39 -0.28 0.00 -1.00 0.00 0.00 55.97 56.08 3iec s LYS 57 Cb 0.00 -1.96 -0.09 0.00 -2.06 0.00 0.00 37.83 33.72 3iec s LYS 57 CO 0.00 -1.20 1.16 0.99 0.10 0.00 0.00 175.35 176.40 3iec s THR 58 N -2.32 3.25 0.00 3.79 2.01 -1.26 -0.48 115.64 120.62 3iec s THR 58 Ca 0.67 1.17 0.00 0.00 0.31 0.00 0.00 61.69 63.84 3iec s THR 58 Cb -0.20 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.59 3iec s THR 58 CO 0.40 0.22 0.13 2.30 -0.69 0.00 0.00 174.62 176.98 3iec n ILE 59 N 0.70 0.00 -1.89 1.82 -5.35 -0.73 -4.84 119.36 109.06 3iec n ILE 59 Ca 0.01 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 3iec n ILE 59 Cb 0.45 1.25 0.00 0.00 -1.74 0.00 0.00 39.64 39.60 3iec n ILE 59 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iec n GLY 60 N 0.25 4.24 1.19 3.28 0.00 -1.12 -4.94 105.19 108.09 3iec n GLY 60 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3iec n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iec n ALA 65 N -3.00 -1.00 -3.08 4.61 0.00 -1.26 -2.33 120.51 114.44 3iec n ALA 65 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 3iec n ALA 65 Cb 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 3iec n ALA 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3iec s LYS 66 N -1.07 3.68 -0.14 0.00 2.47 -1.26 -5.05 119.74 118.37 3iec s LYS 66 Ca 0.00 -2.15 -0.09 0.00 -1.56 0.00 0.00 55.97 52.17 3iec s LYS 66 Cb 0.00 -4.75 -0.04 0.00 -1.46 0.00 0.00 37.83 31.57 3iec s LYS 66 CO 0.00 -1.58 0.16 0.08 0.16 0.00 0.00 175.35 174.17 3iec s VAL 67 N 1.53 5.44 0.00 4.02 1.01 -0.98 -1.03 120.40 130.39 3iec s VAL 67 Ca 0.29 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.59 3iec s VAL 67 Cb -0.07 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 3iec s VAL 67 CO -0.08 0.55 -0.19 -0.54 0.00 0.00 0.00 175.10 174.84 3iec s LYS 68 N -0.52 1.44 0.31 2.72 1.02 -0.41 -1.78 119.74 122.53 3iec s LYS 68 Ca 0.13 -0.74 -0.27 0.00 0.02 0.00 0.00 55.97 55.11 3iec s LYS 68 Cb -0.12 -1.44 -0.09 0.00 -0.52 0.00 0.00 37.83 35.66 3iec s LYS 68 CO 0.03 0.38 0.99 -1.17 -0.92 0.00 0.00 175.35 174.66 3iec s LEU 69 N -0.68 4.40 0.12 3.17 2.96 0.36 0.49 118.68 129.51 3iec s LEU 69 Ca 0.07 1.97 -0.08 0.00 -0.22 0.00 0.00 54.13 55.87 3iec s LEU 69 Cb -0.08 -3.90 -0.01 0.00 0.50 0.00 0.00 46.19 42.71 3iec s LEU 69 CO 0.00 -0.11 0.20 0.00 -1.32 0.00 0.00 176.35 175.12 3iec s ALA 70 N -1.46 -0.02 -0.11 5.97 0.00 -0.27 0.90 121.76 126.77 3iec s ALA 70 Ca 0.49 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.67 3iec s ALA 70 Cb -0.23 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.53 3iec s ALA 70 CO 0.29 -0.55 -0.23 0.50 0.00 0.00 0.00 175.76 175.78 3iec s ARG 71 N -3.92 2.97 -0.00 0.00 3.52 -0.15 -0.52 118.95 120.85 3iec s ARG 71 Ca 0.11 -0.85 -0.30 0.00 -0.13 0.00 0.00 55.73 54.56 3iec s ARG 71 Cb 0.05 -2.30 -0.04 0.00 -1.56 0.00 0.00 34.95 31.10 3iec s ARG 71 CO -0.06 0.10 1.15 -1.58 -0.81 0.00 0.00 175.30 174.10 3iec s HIS 72 N 0.53 3.39 0.10 5.12 5.65 -0.11 -0.88 115.29 129.08 3iec s HIS 72 Ca -0.15 1.35 -0.16 0.00 0.25 0.00 0.00 55.06 56.36 3iec s HIS 72 Cb -0.17 -3.35 -0.07 0.00 -1.18 0.00 0.00 32.58 27.80 3iec s HIS 72 CO 0.05 -1.01 1.48 -0.84 -0.65 0.00 0.00 174.74 173.77 3iec h ILE 73 N 4.79 1.29 0.00 0.89 3.07 -1.31 0.19 117.51 126.43 3iec h ILE 73 Ca -0.38 -1.19 -0.16 0.00 1.55 0.00 0.00 64.86 64.68 3iec h ILE 73 Cb 1.19 1.43 -0.02 0.00 -0.27 0.00 0.00 36.82 39.15 3iec h ILE 73 CO 0.83 0.38 -0.76 -0.07 -1.05 0.00 0.00 178.15 177.48 3iec h LEU 74 N 0.37 0.00 0.00 0.16 3.38 -1.93 -3.31 115.31 113.98 3iec h LEU 74 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3iec h LEU 74 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3iec h LEU 74 CO 0.04 0.76 -1.42 0.35 0.09 0.00 0.00 178.44 178.26 3iec n THR 75 N -3.41 0.00 -1.16 0.22 -2.24 -1.23 -5.00 114.28 101.45 3iec n THR 75 Ca 0.00 -0.29 -0.06 0.00 -2.27 0.00 0.00 64.05 61.43 3iec n THR 75 Cb 0.80 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 3iec n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iec n GLY 76 N 1.55 0.76 3.82 3.38 0.00 0.66 -5.03 105.19 110.34 3iec n GLY 76 Ca -0.01 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 3iec n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iec s LYS 77 N -2.02 4.17 0.08 1.61 -0.14 -1.23 -4.73 119.74 117.48 3iec s LYS 77 Ca 0.00 0.74 -0.27 0.00 -1.36 0.00 0.00 55.97 55.09 3iec s LYS 77 Cb 0.00 -2.96 -0.06 0.00 -1.68 0.00 0.00 37.83 33.13 3iec s LYS 77 CO 0.00 0.46 0.83 -1.21 -0.76 0.00 0.00 175.35 174.67 3iec s GLU 78 N -1.81 4.57 0.21 1.68 2.02 -1.26 -0.93 118.70 123.18 3iec s GLU 78 Ca 0.39 1.20 0.01 0.00 0.02 0.00 0.00 54.97 56.58 3iec s GLU 78 Cb -0.17 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.66 3iec s GLU 78 CO 0.20 0.30 0.08 0.14 0.02 0.00 0.00 175.26 176.01 3iec s VAL 79 N -0.20 0.39 -0.19 2.63 -7.23 0.32 -4.53 120.40 111.58 3iec s VAL 79 Ca 0.41 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.53 3iec s VAL 79 Cb -0.22 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 3iec s VAL 79 CO 0.26 -0.17 0.03 0.00 -0.31 0.00 0.00 175.10 174.90 3iec s ALA 80 N -3.87 3.18 -0.34 1.32 0.00 0.13 -1.11 121.76 121.08 3iec s ALA 80 Ca 0.33 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 3iec s ALA 80 Cb 0.07 -1.83 0.06 0.00 0.00 0.00 0.00 23.12 21.42 3iec s ALA 80 CO 0.09 -0.01 0.10 0.08 0.00 0.00 0.00 175.76 176.02 3iec s VAL 81 N 0.73 3.43 -0.06 0.00 1.01 0.18 -0.22 120.40 125.47 3iec s VAL 81 Ca 0.01 -1.41 -0.30 0.00 0.00 0.00 0.00 61.98 60.29 3iec s VAL 81 Cb -0.14 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3iec s VAL 81 CO 0.02 -0.27 1.03 -0.75 0.00 0.00 0.00 175.10 175.13 3iec s LYS 82 N 1.30 4.45 -0.29 2.72 2.20 0.87 -1.28 119.74 129.71 3iec s LYS 82 Ca -0.01 1.44 -0.05 0.00 -0.36 0.00 0.00 55.97 57.00 3iec s LYS 82 Cb -0.20 -3.51 0.02 0.00 -1.51 0.00 0.00 37.83 32.63 3iec s LYS 82 CO 0.00 -0.25 0.04 0.42 -0.36 0.00 0.00 175.35 175.20 3iec s ILE 83 N 1.71 3.54 -0.22 5.43 1.01 -0.19 -0.84 121.20 131.64 3iec s ILE 83 Ca 0.51 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3iec s ILE 83 Cb -0.20 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.42 3iec s ILE 83 CO 0.22 0.05 -0.13 -0.63 0.00 0.00 0.00 174.94 174.45 3iec s ILE 84 N 1.41 2.46 -0.16 2.92 1.01 0.15 -4.31 121.20 124.68 3iec s ILE 84 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 60.65 59.32 3iec s ILE 84 Cb -0.18 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 3iec s ILE 84 CO 0.00 0.33 1.16 -0.62 0.00 0.00 0.00 174.94 175.81 3iec s ASP 85 N 1.29 7.04 0.04 3.58 -1.08 -1.26 -1.21 116.67 125.06 3iec s ASP 85 Ca 0.01 1.60 0.16 0.00 -0.52 0.00 0.00 52.55 53.81 3iec s ASP 85 Cb -0.15 -2.54 -0.15 0.00 -1.46 0.00 0.00 42.92 38.61 3iec s ASP 85 CO -0.08 -0.68 0.77 0.29 0.52 0.00 0.00 175.17 175.99 3iec n LYS 86 N 6.14 0.63 -0.31 4.34 5.02 -0.07 -4.26 118.16 129.64 3iec n LYS 86 Ca 0.12 0.21 0.02 0.00 -2.02 0.00 0.00 58.31 56.65 3iec n LYS 86 Cb 0.46 -1.79 0.20 0.00 -0.02 0.00 0.00 35.03 33.88 3iec n LYS 86 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3iec h THR 87 N 0.00 1.14 -0.09 -0.18 1.35 -1.89 -1.10 112.91 112.14 3iec h THR 87 Ca -0.19 -0.38 -0.05 0.00 -0.55 0.00 0.00 66.41 65.23 3iec h THR 87 Cb 1.65 -0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 3iec h THR 87 CO 0.05 0.20 -0.19 1.56 -0.25 0.00 0.00 175.52 176.89 3iec h GLN 88 N 1.12 0.15 -6.90 4.72 4.20 -1.94 -3.46 115.11 113.01 3iec h GLN 88 Ca 0.37 -0.04 -0.49 0.00 0.06 0.00 0.00 58.65 58.55 3iec h GLN 88 Cb 0.05 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 27.83 3iec h GLN 88 CO -0.12 0.35 0.44 -0.51 -0.67 0.00 0.00 178.83 178.32 3iec s LEU 89 N -8.63 4.30 0.00 1.46 1.43 -0.42 -5.07 118.68 111.76 3iec s LEU 89 Ca -0.05 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.22 3iec s LEU 89 Cb 0.15 -3.96 0.10 0.00 0.03 0.00 0.00 46.19 42.52 3iec s LEU 89 CO 0.73 -0.37 0.74 -0.46 0.23 0.00 0.00 176.35 177.22 3iec n ASN 90 N 0.43 1.21 -0.07 2.29 6.94 -1.26 -4.86 115.26 119.94 3iec n ASN 90 Ca 0.03 -1.97 -0.11 0.00 -0.02 0.00 0.00 54.58 52.51 3iec n ASN 90 Cb 0.48 -0.46 -0.04 0.00 -2.36 0.00 0.00 39.78 37.40 3iec n ASN 90 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 3iec h SER 91 N -0.32 0.31 -0.56 0.53 0.87 -1.98 0.97 113.55 113.36 3iec h SER 91 Ca -0.25 -0.18 0.06 0.00 -1.23 0.00 0.00 61.79 60.19 3iec h SER 91 Cb 0.96 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.79 3iec h SER 91 CO 0.28 0.41 0.28 -1.28 -0.53 0.00 0.00 176.83 175.99 3iec h SER 92 N 0.20 0.39 0.22 6.23 0.87 -1.99 0.26 113.55 119.73 3iec h SER 92 Ca 0.07 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 3iec h SER 92 Cb 0.20 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3iec h SER 92 CO -0.00 0.26 -0.34 0.28 -0.53 0.00 0.00 176.83 176.49 3iec h SER 93 N 0.53 0.18 -0.06 6.23 0.02 -1.79 -1.88 113.55 116.77 3iec h SER 93 Ca 0.26 -0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.99 3iec h SER 93 Cb 0.19 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.69 3iec h SER 93 CO -0.19 0.52 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.39 3iec h LEU 94 N 0.16 0.59 -0.71 5.07 3.38 -0.09 -2.55 115.31 121.15 3iec h LEU 94 Ca 0.02 -0.69 0.10 0.00 0.09 0.00 0.00 57.88 57.40 3iec h LEU 94 Cb 0.68 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 3iec h LEU 94 CO 0.05 1.19 0.33 -0.61 0.09 0.00 0.00 178.44 179.50 3iec h GLN 95 N 0.03 0.54 -0.07 1.13 4.15 -0.39 -1.73 115.11 118.77 3iec h GLN 95 Ca -0.05 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.20 3iec h GLN 95 Cb 1.23 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 3iec h GLN 95 CO 0.11 0.36 -0.54 0.87 -1.93 0.00 0.00 178.83 177.70 3iec h LYS 96 N 0.55 0.20 -0.35 1.69 1.57 -1.34 -1.97 116.57 116.92 3iec h LYS 96 Ca 0.36 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.96 3iec h LYS 96 Cb 0.41 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3iec h LYS 96 CO -0.30 0.69 -0.01 1.25 -0.57 0.00 0.00 179.45 180.52 3iec h LEU 97 N 0.15 0.62 -0.77 2.94 5.85 -1.00 -0.39 115.31 122.72 3iec h LEU 97 Ca 0.00 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.44 3iec h LEU 97 Cb 1.01 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 3iec h LEU 97 CO 0.08 0.79 0.49 -0.26 -0.34 0.00 0.00 178.44 179.20 3iec h PHE 98 N 0.44 0.92 -0.51 1.25 -1.00 -1.16 -2.10 116.94 114.78 3iec h PHE 98 Ca 0.10 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.91 3iec h PHE 98 Cb 0.47 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.71 3iec h PHE 98 CO 0.04 0.52 0.33 -0.09 -1.61 0.00 0.00 178.31 177.50 3iec h ARG 99 N 0.95 0.66 -0.79 1.51 2.43 -1.14 0.20 114.38 118.20 3iec h ARG 99 Ca 0.31 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 3iec h ARG 99 Cb 0.02 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 3iec h ARG 99 CO -0.11 0.43 0.33 1.49 -1.51 0.00 0.00 179.97 180.60 3iec h GLU 100 N 0.68 1.16 -0.30 0.20 4.81 -0.81 -0.81 114.58 119.52 3iec h GLU 100 Ca 0.19 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 3iec h GLU 100 Cb -0.06 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 3iec h GLU 100 CO -0.05 0.93 -0.26 0.28 -0.73 0.00 0.00 179.01 179.18 3iec h VAL 101 N 1.14 1.30 -0.96 0.32 2.07 -0.93 -1.74 116.25 117.44 3iec h VAL 101 Ca 0.26 -1.42 0.08 0.00 0.82 0.00 0.00 66.70 66.45 3iec h VAL 101 Cb 0.19 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 3iec h VAL 101 CO -0.02 0.45 0.61 -0.09 0.02 0.00 0.00 177.57 178.54 3iec h ARG 102 N 0.45 1.04 -0.21 1.57 2.43 -0.47 -2.02 114.38 117.16 3iec h ARG 102 Ca 0.05 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 3iec h ARG 102 Cb 0.82 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3iec h ARG 102 CO 0.07 0.69 -0.51 0.82 -1.51 0.00 0.00 179.97 179.52 3iec h ILE 103 N 1.07 1.31 -0.40 1.20 2.04 -1.03 -3.14 117.51 118.56 3iec h ILE 103 Ca 0.43 -1.73 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 3iec h ILE 103 Cb 0.25 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3iec h ILE 103 CO -0.20 0.55 0.02 0.24 0.00 0.00 0.00 178.15 178.76 3iec h MET 104 N 0.43 0.62 -0.56 2.37 2.86 -1.10 -2.27 114.93 117.27 3iec h MET 104 Ca -0.00 -0.13 0.06 0.00 -2.06 0.00 0.00 59.70 57.56 3iec h MET 104 Cb 1.12 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.66 3iec h MET 104 CO 0.11 0.62 0.38 0.87 1.06 0.00 0.00 176.91 179.95 3iec h LYS 105 N 0.59 0.51 0.00 1.72 1.57 -1.32 -2.94 116.57 116.70 3iec h LYS 105 Ca 0.13 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 3iec h LYS 105 Cb 0.34 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3iec h LYS 105 CO 0.01 0.34 -0.60 0.28 -0.57 0.00 0.00 179.45 178.91 3iec h VAL 106 N 0.53 1.17 -3.38 0.50 2.07 -1.39 -3.46 116.25 112.30 3iec h VAL 106 Ca 0.24 -2.27 -0.58 0.00 0.82 0.00 0.00 66.70 64.91 3iec h VAL 106 Cb 0.29 2.32 -0.08 0.00 -1.52 0.00 0.00 31.29 32.30 3iec h VAL 106 CO -0.07 0.59 0.15 -0.76 0.02 0.00 0.00 177.57 177.50 3iec s LEU 107 N -6.91 4.19 -0.37 2.57 1.43 -1.11 -5.03 118.68 113.45 3iec s LEU 107 Ca 0.01 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 3iec s LEU 107 Cb 0.10 -2.98 0.14 0.00 0.03 0.00 0.00 46.19 43.48 3iec s LEU 107 CO 0.75 -0.25 0.21 0.21 0.23 0.00 0.00 176.35 177.50 3iec s ASN 108 N 1.07 3.23 -0.12 2.29 2.47 -1.26 -4.86 114.94 117.76 3iec s ASN 108 Ca 0.32 -2.25 -0.15 0.00 0.42 0.00 0.00 52.86 51.20 3iec s ASN 108 Cb -0.16 -0.60 0.04 0.00 -1.45 0.00 0.00 41.25 39.08 3iec s ASN 108 CO 0.12 -0.31 0.39 -2.28 -3.72 0.00 0.00 177.10 171.30 3iec s HIS 109 N 0.93 -0.39 -0.85 0.43 2.46 -1.26 -4.80 115.29 111.82 3iec s HIS 109 Ca 0.17 0.89 0.20 0.00 0.47 0.00 0.00 55.06 56.79 3iec s HIS 109 Cb -0.23 0.15 0.82 0.00 -0.13 0.00 0.00 32.58 33.19 3iec s HIS 109 CO -0.02 -0.26 1.63 -0.35 -2.47 0.00 0.00 174.74 173.27 3iec n PRO 110 N 2.45 0.07 -0.70 2.88 -0.04 -1.26 -1.93 135.00 136.47 3iec n PRO 110 Ca -0.15 0.25 -0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3iec n PRO 110 Cb 0.57 -1.62 0.23 0.00 -0.04 0.00 0.00 33.50 32.64 3iec n PRO 110 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3iec n ASN 111 N -1.75 3.30 -4.08 3.54 4.13 -1.26 -4.84 115.26 114.31 3iec n ASN 111 Ca 0.04 -3.41 -0.26 0.00 1.68 0.00 0.00 54.58 52.63 3iec n ASN 111 Cb 0.23 -0.62 -0.16 0.00 -1.54 0.00 0.00 39.78 37.69 3iec n ASN 111 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3iec s ILE 112 N -3.06 1.32 -0.08 2.41 1.01 -0.81 -0.38 121.20 121.61 3iec s ILE 112 Ca 0.45 -0.61 -0.34 0.00 0.00 0.00 0.00 60.65 60.15 3iec s ILE 112 Cb 0.39 -1.18 -0.12 0.00 0.01 0.00 0.00 42.46 41.56 3iec s ILE 112 CO 0.05 0.39 1.86 0.52 0.00 0.00 0.00 174.94 177.76 3iec n VAL 113 N 3.59 0.53 -2.88 2.92 0.31 -0.79 -4.64 118.33 117.38 3iec n VAL 113 Ca -0.21 -0.10 -0.39 0.00 -0.01 0.00 0.00 64.34 63.63 3iec n VAL 113 Cb 0.52 -1.83 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 3iec n VAL 113 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3iec s LYS 114 N 3.85 4.68 -0.04 5.55 2.36 -1.26 -4.89 119.74 129.98 3iec s LYS 114 Ca 0.92 1.30 -0.20 0.00 -2.55 0.00 0.00 55.97 55.44 3iec s LYS 114 Cb -0.70 -3.22 -0.05 0.00 -1.05 0.00 0.00 37.83 32.80 3iec s LYS 114 CO 0.51 0.52 0.56 -1.17 1.55 0.00 0.00 175.35 177.33 3iec s LEU 115 N -1.25 4.37 -0.20 5.43 2.96 -1.26 -1.49 118.68 127.23 3iec s LEU 115 Ca 0.39 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 3iec s LEU 115 Cb -0.24 -2.85 -0.14 0.00 0.50 0.00 0.00 46.19 43.46 3iec s LEU 115 CO 0.28 0.06 -0.16 0.49 -1.32 0.00 0.00 176.35 175.70 3iec n PHE 116 N 3.06 0.00 -3.57 5.38 3.72 0.43 -4.97 117.46 121.51 3iec n PHE 116 Ca -0.07 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.17 3iec n PHE 116 Cb 0.51 -0.80 -0.06 0.00 -0.94 0.00 0.00 39.48 38.19 3iec n PHE 116 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3iec s GLU 117 N -2.41 1.00 -0.13 -1.08 2.12 -1.13 -4.03 118.70 113.03 3iec s GLU 117 Ca -0.26 0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.12 3iec s GLU 117 Cb 0.07 0.46 0.01 0.00 0.26 0.00 0.00 34.13 34.94 3iec s GLU 117 CO 0.50 -0.33 -0.18 0.08 -0.54 0.00 0.00 175.26 174.79 3iec s VAL 118 N -1.63 1.75 -0.10 3.70 1.01 -0.39 -1.18 120.40 123.57 3iec s VAL 118 Ca -0.10 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.13 3iec s VAL 118 Cb -0.01 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 3iec s VAL 118 CO 0.05 0.49 -0.22 -0.63 0.00 0.00 0.00 175.10 174.80 3iec s ILE 119 N 0.96 2.29 -0.10 2.22 1.01 -0.55 -4.70 121.20 122.33 3iec s ILE 119 Ca -0.06 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.68 3iec s ILE 119 Cb -0.15 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.43 3iec s ILE 119 CO -0.03 0.55 -0.20 -1.61 0.00 0.00 0.00 174.94 173.66 3iec s GLU 120 N 0.30 2.64 0.50 2.79 2.02 -1.26 -0.65 118.70 125.04 3iec s GLU 120 Ca -0.16 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.13 3iec s GLU 120 Cb -0.17 -2.08 -0.01 0.00 0.10 0.00 0.00 34.13 31.96 3iec s GLU 120 CO 0.08 0.07 0.10 0.95 0.02 0.00 0.00 175.26 176.47 3iec s THR 121 N 0.62 1.39 0.32 3.63 -4.23 0.27 -5.01 115.64 112.64 3iec s THR 121 Ca -0.13 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 3iec s THR 121 Cb -0.17 -2.27 0.27 0.00 1.34 0.00 0.00 72.50 71.68 3iec s THR 121 CO 0.04 0.00 1.98 -0.33 -0.54 0.00 0.00 174.62 175.77 3iec h GLU 122 N 1.26 0.95 0.00 3.99 5.08 -2.03 -3.22 114.58 120.60 3iec h GLU 122 Ca -0.42 -0.06 -0.31 0.00 -1.00 0.00 0.00 59.36 57.57 3iec h GLU 122 Cb 1.30 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 3iec h GLU 122 CO 0.71 0.63 -2.24 1.63 -1.00 0.00 0.00 179.01 178.73 3iec n LYS 123 N -4.44 0.68 -4.17 2.33 5.02 -1.26 -4.84 118.16 111.49 3iec n LYS 123 Ca 0.09 -0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.21 3iec n LYS 123 Cb 0.07 -1.55 -0.15 0.00 -0.02 0.00 0.00 35.03 33.38 3iec n LYS 123 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iec s THR 124 N -2.65 0.44 -0.17 -0.18 2.01 -1.22 -0.89 115.64 112.97 3iec s THR 124 Ca -0.09 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.64 3iec s THR 124 Cb 0.07 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 3iec s THR 124 CO 0.84 0.13 0.00 -0.22 -0.69 0.00 0.00 174.62 174.68 3iec s LEU 125 N -0.00 3.42 -0.17 4.42 2.96 -0.35 -0.56 118.68 128.39 3iec s LEU 125 Ca 0.00 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3iec s LEU 125 Cb -0.04 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3iec s LEU 125 CO -0.00 0.15 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.86 3iec s TYR 126 N 0.51 3.07 -0.25 5.38 1.51 0.17 -0.67 117.35 127.07 3iec s TYR 126 Ca -0.01 -0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 55.74 3iec s TYR 126 Cb -0.14 -2.01 -0.00 0.00 -0.11 0.00 0.00 41.96 39.69 3iec s TYR 126 CO 0.02 -0.04 0.02 -0.51 -1.11 0.00 0.00 175.55 173.92 3iec s LEU 127 N 0.52 3.32 -0.29 -1.29 1.43 -0.02 -1.48 118.68 120.87 3iec s LEU 127 Ca -0.01 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.44 3iec s LEU 127 Cb -0.14 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3iec s LEU 127 CO 0.02 -0.08 0.40 -0.69 0.23 0.00 0.00 176.35 176.23 3iec s VAL 128 N 1.50 5.15 0.19 -1.59 1.01 -0.32 -0.09 120.40 126.25 3iec s VAL 128 Ca 0.04 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 3iec s VAL 128 Cb -0.16 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3iec s VAL 128 CO -0.00 0.06 0.12 0.00 0.00 0.00 0.00 175.10 175.28 3iec s MET 129 N 2.12 1.18 0.24 2.72 0.00 0.69 -0.43 119.30 125.82 3iec s MET 129 Ca 0.15 -1.61 -0.31 0.00 0.00 0.00 0.00 55.69 53.92 3iec s MET 129 Cb -0.16 0.25 -0.13 0.00 0.00 0.00 0.00 34.83 34.80 3iec s MET 129 CO 0.11 -0.37 1.46 -1.91 0.00 0.00 0.00 175.02 174.30 3iec n GLU 130 N -0.26 2.18 -3.33 3.16 2.13 -0.55 0.22 120.64 124.19 3iec n GLU 130 Ca 0.01 0.78 -0.39 0.00 0.66 0.00 0.00 57.16 58.22 3iec n GLU 130 Cb 0.66 -2.47 -0.07 0.00 0.27 0.00 0.00 31.44 29.83 3iec n GLU 130 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3iec s TYR 131 N 0.04 3.38 -0.52 4.31 5.04 -1.26 -4.48 117.35 123.85 3iec s TYR 131 Ca 0.68 0.68 -0.10 0.00 -2.44 0.00 0.00 57.07 55.89 3iec s TYR 131 Cb -0.62 -2.58 0.13 0.00 0.35 0.00 0.00 41.96 39.24 3iec s TYR 131 CO 0.48 -0.04 0.41 0.00 -1.34 0.00 0.00 175.55 175.06 3iec s ALA 132 N 1.42 3.50 -0.28 3.97 0.00 -1.26 -4.85 121.76 124.26 3iec s ALA 132 Ca 0.21 -2.65 0.27 0.00 0.00 0.00 0.00 51.96 49.79 3iec s ALA 132 Cb -0.15 -2.93 0.82 0.00 0.00 0.00 0.00 23.12 20.86 3iec s ALA 132 CO 0.09 -1.97 1.77 0.66 0.00 0.00 0.00 175.76 176.32 3iec h SER 133 N 8.36 0.00 0.72 0.00 4.64 -1.83 -3.03 113.55 122.42 3iec h SER 133 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3iec h SER 133 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3iec h SER 133 CO 0.87 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 3iec n GLY 134 N 0.64 -1.21 6.39 -0.77 0.00 0.89 -4.92 105.19 106.21 3iec n GLY 134 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3iec n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iec n GLY 135 N 0.41 -1.78 3.80 -0.02 0.00 -1.15 -4.70 105.19 101.75 3iec n GLY 135 Ca 0.04 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 3iec n GLY 135 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iec s GLU 136 N 0.00 4.39 0.37 1.61 2.02 -1.26 -0.28 118.70 125.54 3iec s GLU 136 Ca 0.00 1.09 0.06 0.00 0.02 0.00 0.00 54.97 56.14 3iec s GLU 136 Cb 0.00 -2.74 0.75 0.00 0.10 0.00 0.00 34.13 32.24 3iec s GLU 136 CO 0.00 0.28 1.98 0.28 0.02 0.00 0.00 175.26 177.82 3iec h VAL 137 N 2.54 1.05 -0.22 2.63 2.07 -0.25 -1.97 116.25 122.10 3iec h VAL 137 Ca -0.47 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 66.85 3iec h VAL 137 Cb 1.19 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 3iec h VAL 137 CO 0.65 0.13 -0.34 0.15 0.02 0.00 0.00 177.57 178.18 3iec h PHE 138 N 0.74 -0.94 -0.02 1.57 3.57 -1.72 0.82 116.94 120.96 3iec h PHE 138 Ca 0.28 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.74 3iec h PHE 138 Cb 0.17 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3iec h PHE 138 CO -0.00 -0.40 -0.40 -0.44 -2.23 0.00 0.00 178.31 174.83 3iec h ASP 139 N -0.36 0.03 -0.41 0.41 3.32 -1.79 -1.70 116.42 115.92 3iec h ASP 139 Ca 0.12 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3iec h ASP 139 Cb 0.55 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3iec h ASP 139 CO -0.42 0.43 0.13 0.22 -1.72 0.00 0.00 179.24 177.88 3iec h TYR 140 N 0.03 0.66 -0.77 4.55 5.03 -0.71 -1.48 116.97 124.29 3iec h TYR 140 Ca -0.00 -0.07 -0.03 0.00 2.58 0.00 0.00 58.73 61.22 3iec h TYR 140 Cb 0.72 -0.19 -0.04 0.00 1.55 0.00 0.00 36.73 38.78 3iec h TYR 140 CO 0.00 0.61 0.37 -0.07 -1.32 0.00 0.00 178.16 177.75 3iec h LEU 141 N 0.52 1.00 -0.45 2.82 3.38 -0.50 -0.97 115.31 121.11 3iec h LEU 141 Ca 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3iec h LEU 141 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3iec h LEU 141 CO -0.00 0.85 0.24 0.58 0.09 0.00 0.00 178.44 180.20 3iec h VAL 142 N 1.08 1.16 -0.27 1.22 2.07 -1.20 0.69 116.25 121.00 3iec h VAL 142 Ca 0.26 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 3iec h VAL 142 Cb 0.11 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3iec h VAL 142 CO -0.03 0.17 -0.21 0.00 0.02 0.00 0.00 177.57 177.52 3iec h ALA 143 N 1.09 1.14 -0.01 1.67 0.00 -1.08 -3.31 119.26 118.76 3iec h ALA 143 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iec h ALA 143 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3iec h ALA 143 CO -0.03 0.54 -0.04 0.72 0.00 0.00 0.00 179.25 180.45 3iec n HIS 144 N -4.14 0.00 0.00 0.00 8.25 -0.39 -5.03 115.22 113.91 3iec n HIS 144 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3iec n HIS 144 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 3iec n HIS 144 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iec n GLY 145 N 0.47 2.05 2.94 -1.41 0.00 0.24 -4.81 105.19 104.66 3iec n GLY 145 Ca 0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 3iec n GLY 145 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3iec n TRP 146 N 0.00 -1.94 -4.87 1.61 2.14 -1.26 -4.14 117.44 108.98 3iec n TRP 146 Ca 0.00 -1.56 -0.32 0.00 2.07 0.00 0.00 57.50 57.69 3iec n TRP 146 Cb 0.00 0.68 -0.13 0.00 -0.81 0.00 0.00 31.31 31.05 3iec n TRP 146 CO 0.00 0.00 0.00 -1.64 2.07 0.00 0.00 177.69 178.12 3iec s MET 147 N -2.18 2.35 0.82 -2.67 -1.94 -0.36 -5.00 119.30 110.31 3iec s MET 147 Ca 0.15 -0.79 -0.11 0.00 -1.71 0.00 0.00 55.69 53.23 3iec s MET 147 Cb -0.03 -2.29 0.09 0.00 2.01 0.00 0.00 34.83 34.60 3iec s MET 147 CO 0.11 0.60 1.11 0.15 -0.01 0.00 0.00 175.02 176.98 3iec s LYS 148 N -0.91 1.84 0.25 2.03 1.02 -1.26 -4.38 119.74 118.33 3iec s LYS 148 Ca 0.12 1.32 -0.05 0.00 0.02 0.00 0.00 55.97 57.38 3iec s LYS 148 Cb -0.11 -1.84 0.27 0.00 -0.52 0.00 0.00 37.83 35.64 3iec s LYS 148 CO 0.02 -1.98 1.88 0.93 -0.92 0.00 0.00 175.35 175.27 3iec h GLU 149 N -1.33 1.19 -0.85 1.68 5.08 -1.95 0.60 114.58 118.99 3iec h GLU 149 Ca -0.44 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 57.86 3iec h GLU 149 Cb 1.25 -0.24 -0.06 0.00 0.50 0.00 0.00 28.75 30.20 3iec h GLU 149 CO 0.48 0.87 0.52 0.87 -1.00 0.00 0.00 179.01 180.75 3iec h LYS 150 N 1.20 0.92 -0.07 2.33 1.79 -1.99 0.28 116.57 121.03 3iec h LYS 150 Ca 0.30 -0.06 -0.23 0.00 -2.18 0.00 0.00 60.65 58.48 3iec h LYS 150 Cb 0.02 -0.21 0.02 0.00 -1.58 0.00 0.00 32.23 30.48 3iec h LYS 150 CO -0.05 0.61 -0.87 1.49 -1.08 0.00 0.00 179.45 179.54 3iec h GLU 151 N 0.94 0.71 -0.97 3.15 4.81 -1.51 -2.42 114.58 119.30 3iec h GLU 151 Ca 0.38 -0.68 0.06 0.00 -0.13 0.00 0.00 59.36 58.99 3iec h GLU 151 Cb 0.20 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.68 3iec h GLU 151 CO -0.18 1.27 0.62 0.00 -0.73 0.00 0.00 179.01 179.99 3iec h ALA 152 N 0.46 1.33 -0.66 2.92 0.00 -0.58 -1.62 119.26 121.11 3iec h ALA 152 Ca -0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3iec h ALA 152 Cb 1.52 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3iec h ALA 152 CO 0.18 0.42 0.22 -0.09 0.00 0.00 0.00 179.25 179.98 3iec h ARG 153 N 1.14 1.01 -0.20 0.00 2.43 -0.42 0.65 114.38 119.01 3iec h ARG 153 Ca 0.41 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3iec h ARG 153 Cb 0.14 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3iec h ARG 153 CO -0.16 0.87 0.06 0.00 -1.51 0.00 0.00 179.97 179.23 3iec h ALA 154 N 1.09 0.21 -0.42 2.80 0.00 -0.86 -0.71 119.26 121.37 3iec h ALA 154 Ca 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3iec h ALA 154 Cb 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3iec h ALA 154 CO -0.01 -0.36 0.18 0.87 0.00 0.00 0.00 179.25 179.93 3iec h LYS 155 N 0.16 0.62 -0.04 0.00 6.56 -1.23 -3.24 116.57 119.40 3iec h LYS 155 Ca 0.08 -0.10 -0.17 0.00 -1.06 0.00 0.00 60.65 59.40 3iec h LYS 155 Cb 0.06 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 3iec h LYS 155 CO -0.09 0.56 -0.72 0.35 -2.06 0.00 0.00 179.45 177.49 3iec h PHE 156 N 0.54 0.32 -0.81 -1.35 3.57 -0.47 -0.40 116.94 118.33 3iec h PHE 156 Ca 0.14 -0.15 0.08 0.00 3.53 0.00 0.00 57.97 61.58 3iec h PHE 156 Cb 0.16 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.79 3iec h PHE 156 CO -0.00 0.88 0.48 0.00 -2.23 0.00 0.00 178.31 177.43 3iec h ARG 157 N 0.16 0.81 -0.23 1.11 3.08 -1.21 0.03 114.38 118.13 3iec h ARG 157 Ca -0.02 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 3iec h ARG 157 Cb 1.28 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 3iec h ARG 157 CO 0.11 0.54 -0.28 1.96 -1.07 0.00 0.00 179.97 181.23 3iec h GLN 158 N 0.84 0.60 -0.70 0.04 4.20 -1.38 -2.22 115.11 116.49 3iec h GLN 158 Ca 0.38 -0.33 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3iec h GLN 158 Cb 0.27 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 3iec h GLN 158 CO -0.21 0.94 0.46 0.82 -0.67 0.00 0.00 178.83 180.16 3iec h ILE 159 N 0.30 1.17 -0.29 2.54 2.04 -0.75 -1.44 117.51 121.07 3iec h ILE 159 Ca 0.03 -0.32 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 3iec h ILE 159 Cb 0.85 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3iec h ILE 159 CO 0.07 0.17 -0.37 0.58 0.00 0.00 0.00 178.15 178.59 3iec h VAL 160 N 0.94 1.30 -0.38 1.67 2.07 -0.95 -0.81 116.25 120.08 3iec h VAL 160 Ca 0.26 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 66.24 3iec h VAL 160 Cb -0.09 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3iec h VAL 160 CO -0.06 0.50 0.21 -1.28 0.02 0.00 0.00 177.57 176.96 3iec h SER 161 N 0.52 0.34 -0.07 0.57 0.87 -1.29 0.18 113.55 114.66 3iec h SER 161 Ca 0.04 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3iec h SER 161 Cb 0.96 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.86 3iec h SER 161 CO 0.09 0.24 0.05 0.00 -0.53 0.00 0.00 176.83 176.68 3iec h ALA 162 N 1.18 0.10 -0.11 6.23 0.00 -0.89 -1.07 119.26 124.69 3iec h ALA 162 Ca 0.16 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3iec h ALA 162 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3iec h ALA 162 CO -0.08 -0.40 -0.65 0.28 0.00 0.00 0.00 179.25 178.40 3iec h VAL 163 N 0.08 1.36 -0.49 0.00 2.07 -0.88 -2.04 116.25 116.35 3iec h VAL 163 Ca 0.03 -2.00 -0.10 0.00 0.82 0.00 0.00 66.70 65.45 3iec h VAL 163 Cb 0.02 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3iec h VAL 163 CO -0.01 0.60 -0.10 -0.61 0.02 0.00 0.00 177.57 177.48 3iec h GLN 164 N 0.30 0.90 -0.92 1.57 -0.00 -0.55 -1.78 115.11 114.64 3iec h GLN 164 Ca -0.01 -0.31 0.02 0.00 -0.00 0.00 0.00 58.65 58.34 3iec h GLN 164 Cb 1.20 -0.07 -0.05 0.00 0.00 0.00 0.00 27.48 28.56 3iec h GLN 164 CO 0.11 0.95 0.61 -0.92 0.00 0.00 0.00 178.83 179.58 3iec h TYR 165 N 0.81 1.15 -0.55 3.99 3.20 -1.01 -0.34 116.97 124.21 3iec h TYR 165 Ca 0.13 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.08 3iec h TYR 165 Cb 0.62 -0.39 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 3iec h TYR 165 CO 0.04 0.70 0.28 0.00 -1.64 0.00 0.00 178.16 177.54 3iec h HIS 167 N 0.54 1.07 -0.86 0.00 3.86 -0.70 -0.64 115.15 118.42 3iec h HIS 167 Ca 0.24 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.47 3iec h HIS 167 Cb 0.15 -0.35 -0.05 0.00 1.06 0.00 0.00 27.41 28.22 3iec h HIS 167 CO -0.10 0.73 0.55 1.96 0.86 0.00 0.00 177.93 181.93 3iec h GLN 168 N 1.11 1.04 0.00 2.45 4.20 0.11 0.24 115.11 124.26 3iec h GLN 168 Ca 0.28 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3iec h GLN 168 Cb -0.01 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.53 3iec h GLN 168 CO -0.05 0.69 0.00 1.63 -0.67 0.00 0.00 178.83 180.43 3iec n LYS 169 N -4.55 0.92 -3.39 1.46 4.76 -0.50 -4.90 118.16 111.97 3iec n LYS 169 Ca 0.11 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.35 3iec n LYS 169 Cb 0.09 -1.17 0.06 0.00 -1.84 0.00 0.00 35.03 32.17 3iec n LYS 169 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3iec n PHE 170 N -0.67 -2.38 -4.87 2.13 3.72 0.84 -4.96 117.46 111.26 3iec n PHE 170 Ca 0.08 0.83 -0.27 0.00 -0.05 0.00 0.00 57.45 58.04 3iec n PHE 170 Cb 0.03 -4.35 -0.16 0.00 -0.94 0.00 0.00 39.48 34.06 3iec n PHE 170 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3iec s ILE 171 N -3.26 1.50 -0.08 4.37 1.01 -0.35 -1.33 121.20 123.05 3iec s ILE 171 Ca 0.48 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3iec s ILE 171 Cb -0.21 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 3iec s ILE 171 CO 0.59 0.43 -0.07 0.68 0.00 0.00 0.00 174.94 176.57 3iec s VAL 172 N 0.08 3.64 -0.16 2.92 -7.23 -0.48 -3.21 120.40 115.96 3iec s VAL 172 Ca -0.05 -0.49 -0.23 0.00 -1.81 0.00 0.00 61.98 59.40 3iec s VAL 172 Cb -0.12 -2.50 -0.20 0.00 0.56 0.00 0.00 36.38 34.11 3iec s VAL 172 CO 0.03 0.58 0.48 -0.74 -0.31 0.00 0.00 175.10 175.14 3iec h HIS 173 N 5.57 0.00 0.00 2.82 2.76 -1.90 -1.75 115.15 122.66 3iec h HIS 173 Ca -0.44 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 3iec h HIS 173 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 3iec h HIS 173 CO 0.55 1.00 0.00 0.54 -1.30 0.00 0.00 177.93 178.72 3iec n ARG 174 N -4.57 -1.32 -2.80 5.26 1.74 -1.26 -2.64 116.66 111.06 3iec n ARG 174 Ca -0.16 0.33 -0.01 0.00 -0.77 0.00 0.00 57.85 57.24 3iec n ARG 174 Cb 0.48 -4.35 0.05 0.00 -1.02 0.00 0.00 32.46 27.63 3iec n ARG 174 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3iec n ASP 175 N -0.66 1.28 -4.64 0.55 2.03 -1.26 -4.43 116.55 109.42 3iec n ASP 175 Ca 0.00 -2.13 -0.43 0.00 0.52 0.00 0.00 54.79 52.76 3iec n ASP 175 Cb 0.33 -0.38 -0.03 0.00 -0.72 0.00 0.00 41.12 40.33 3iec n ASP 175 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3iec s LEU 176 N -3.74 4.10 0.22 -2.67 1.43 -1.26 -4.75 118.68 112.01 3iec s LEU 176 Ca 0.26 1.96 -0.22 0.00 -1.03 0.00 0.00 54.13 55.09 3iec s LEU 176 Cb 0.35 -3.53 0.04 0.00 0.03 0.00 0.00 46.19 43.08 3iec s LEU 176 CO -0.04 -1.11 0.71 -1.59 0.23 0.00 0.00 176.35 174.55 3iec s LYS 177 N 4.41 1.55 0.34 1.70 -2.85 -1.26 -4.87 119.74 118.75 3iec s LYS 177 Ca 0.74 -0.78 0.07 0.00 -1.00 0.00 0.00 55.97 55.00 3iec s LYS 177 Cb -0.30 0.58 0.76 0.00 -2.06 0.00 0.00 37.83 36.81 3iec s LYS 177 CO 0.29 -0.70 1.87 0.00 0.10 0.00 0.00 175.35 176.91 3iec h ALA 178 N 2.00 1.76 0.00 0.59 0.00 -1.93 -0.77 119.26 120.92 3iec h ALA 178 Ca -0.24 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3iec h ALA 178 Cb 1.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3iec h ALA 178 CO 0.28 0.01 -0.24 0.93 0.00 0.00 0.00 179.25 180.23 3iec h GLU 179 N 0.76 0.00 -0.62 0.00 3.07 -1.94 -2.47 114.58 113.38 3iec h GLU 179 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3iec h GLU 179 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 3iec h GLU 179 CO -0.21 0.24 0.00 0.09 -1.40 0.00 0.00 179.01 177.73 3iec n ASN 180 N -3.83 3.64 -4.40 1.42 5.03 -0.32 -4.72 115.26 112.07 3iec n ASN 180 Ca -0.02 -1.99 -0.39 0.00 0.87 0.00 0.00 54.58 53.05 3iec n ASN 180 Cb 0.33 -0.41 -0.12 0.00 -1.02 0.00 0.00 39.78 38.57 3iec n ASN 180 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3iec s LEU 181 N -1.13 4.36 0.24 3.41 1.43 -0.96 -1.58 118.68 124.45 3iec s LEU 181 Ca 0.45 -0.77 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 3iec s LEU 181 Cb 0.24 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3iec s LEU 181 CO 0.32 -0.28 0.36 -0.76 0.23 0.00 0.00 176.35 176.22 3iec s LEU 182 N 1.57 4.32 -0.07 1.79 1.43 0.10 0.18 118.68 127.99 3iec s LEU 182 Ca 0.03 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 3iec s LEU 182 Cb -0.18 -2.86 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 3iec s LEU 182 CO 0.06 -0.07 -0.25 -0.76 0.23 0.00 0.00 176.35 175.57 3iec s LEU 183 N -3.97 2.07 0.80 1.79 1.43 0.61 -0.43 118.68 120.98 3iec s LEU 183 Ca 0.34 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3iec s LEU 183 Cb -0.09 -1.38 0.16 0.00 0.03 0.00 0.00 46.19 44.91 3iec s LEU 183 CO 0.29 0.21 1.09 1.51 0.23 0.00 0.00 176.35 179.68 3iec s ASP 184 N 0.02 3.92 0.49 2.29 1.47 -0.65 -0.07 116.67 124.14 3iec s ASP 184 Ca -0.09 -0.37 0.18 0.00 1.18 0.00 0.00 52.55 53.46 3iec s ASP 184 Cb -0.15 0.15 1.22 0.00 -0.34 0.00 0.00 42.92 43.80 3iec s ASP 184 CO 0.06 -2.17 2.03 0.00 0.68 0.00 0.00 175.17 175.77 3iec h ALA 185 N -0.83 2.18 -0.24 2.11 0.00 -1.91 0.37 119.26 120.95 3iec h ALA 185 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3iec h ALA 185 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3iec h ALA 185 CO 0.36 -0.28 0.00 -0.25 0.00 0.00 0.00 179.25 179.08 3iec n ASP 186 N -4.45 1.35 -1.55 0.00 8.00 -1.26 -4.91 116.55 113.73 3iec n ASP 186 Ca 0.06 -2.01 -0.16 0.00 0.71 0.00 0.00 54.79 53.39 3iec n ASP 186 Cb 0.37 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 3iec n ASP 186 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3iec n MET 187 N 0.21 -1.21 -3.38 -1.24 2.81 0.13 -5.02 117.12 109.42 3iec n MET 187 Ca 0.08 0.92 -0.31 0.00 -1.81 0.00 0.00 57.70 56.58 3iec n MET 187 Cb 0.22 -5.22 -0.05 0.00 -0.71 0.00 0.00 33.22 27.46 3iec n MET 187 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3iec s ASN 188 N -2.54 6.58 0.25 7.83 0.01 -1.26 -4.79 114.94 121.01 3iec s ASN 188 Ca 0.00 0.88 -0.30 0.00 -0.71 0.00 0.00 52.86 52.73 3iec s ASN 188 Cb 0.00 -2.21 -0.09 0.00 0.41 0.00 0.00 41.25 39.36 3iec s ASN 188 CO 0.00 -0.11 1.11 -0.63 -1.51 0.00 0.00 177.10 175.96 3iec s ILE 189 N -1.90 3.56 -0.20 0.60 -1.09 -1.26 -1.64 121.20 119.27 3iec s ILE 189 Ca 0.47 1.49 -0.01 0.00 -2.23 0.00 0.00 60.65 60.37 3iec s ILE 189 Cb -0.11 -3.95 0.06 0.00 -1.58 0.00 0.00 42.46 36.87 3iec s ILE 189 CO 0.24 0.32 -0.03 -0.54 -1.23 0.00 0.00 174.94 173.70 3iec s LYS 190 N -1.09 1.29 0.24 2.79 -0.14 0.43 -4.18 119.74 119.07 3iec s LYS 190 Ca 0.46 -0.70 -0.30 0.00 -1.36 0.00 0.00 55.97 54.08 3iec s LYS 190 Cb -0.32 -2.29 -0.09 0.00 -1.68 0.00 0.00 37.83 33.45 3iec s LYS 190 CO 0.39 -0.57 1.09 0.42 -0.76 0.00 0.00 175.35 175.93 3iec s ILE 191 N 1.59 3.64 0.00 2.17 1.01 0.49 -0.72 121.20 129.38 3iec s ILE 191 Ca -0.03 1.56 -0.03 0.00 0.00 0.00 0.00 60.65 62.16 3iec s ILE 191 Cb -0.17 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 3iec s ILE 191 CO -0.07 0.33 -0.05 0.00 0.00 0.00 0.00 174.94 175.15 3iec n ALA 192 N 1.63 2.07 -3.01 9.38 0.00 -0.61 -1.88 120.51 128.08 3iec n ALA 192 Ca 0.00 -0.17 -0.45 0.00 0.00 0.00 0.00 53.44 52.83 3iec n ALA 192 Cb 0.45 0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 3iec n ALA 192 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3iec s ASP 193 N -5.19 6.19 -0.18 0.00 2.15 -1.26 -4.86 116.67 113.52 3iec s ASP 193 Ca -0.04 -1.32 0.06 0.00 0.43 0.00 0.00 52.55 51.68 3iec s ASP 193 Cb 0.01 -2.28 0.45 0.00 -0.30 0.00 0.00 42.92 40.80 3iec s ASP 193 CO 0.06 -0.99 1.33 0.49 -0.17 0.00 0.00 175.17 175.89 3iec n PHE 194 N 6.08 1.41 0.28 -5.34 3.01 -1.26 -4.55 117.46 117.08 3iec n PHE 194 Ca -0.09 -0.71 0.16 0.00 1.01 0.00 0.00 57.45 57.82 3iec n PHE 194 Cb 0.43 -0.45 0.73 0.00 -0.01 0.00 0.00 39.48 40.18 3iec n PHE 194 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3iec h GLY 195 N 3.72 0.00 -1.70 1.37 0.00 -1.89 -2.40 103.07 102.17 3iec h GLY 195 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3iec h GLY 195 CO 0.41 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.64 3iec n PHE 196 N -3.22 0.25 -1.46 5.60 0.99 -1.26 -4.94 117.46 113.42 3iec n PHE 196 Ca -0.00 -0.16 -0.31 0.00 -0.00 0.00 0.00 57.45 56.97 3iec n PHE 196 Cb 0.28 -0.00 0.07 0.00 -1.00 0.00 0.00 39.48 38.83 3iec n PHE 196 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 3iec s SER 197 N -1.37 4.89 -0.03 4.37 0.01 -0.90 -4.65 113.70 116.03 3iec s SER 197 Ca 0.27 1.80 -0.21 0.00 1.31 0.00 0.00 55.95 59.12 3iec s SER 197 Cb 0.17 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.92 3iec s SER 197 CO 0.24 -1.77 0.44 0.21 0.41 0.00 0.00 173.24 172.77 3iec s ASN 198 N -3.33 -0.36 0.65 2.44 3.84 -0.66 -4.88 114.94 112.64 3iec s ASN 198 Ca 0.61 0.31 -0.15 0.00 0.21 0.00 0.00 52.86 53.84 3iec s ASN 198 Cb -0.17 0.39 -0.00 0.00 -0.55 0.00 0.00 41.25 40.92 3iec s ASN 198 CO 0.52 -0.51 1.10 -1.61 -2.79 0.00 0.00 177.10 173.82 3iec s GLU 199 N -1.29 2.86 0.07 0.43 8.01 -1.26 -1.38 118.70 126.14 3iec s GLU 199 Ca -0.13 1.35 -0.04 0.00 0.01 0.00 0.00 54.97 56.16 3iec s GLU 199 Cb -0.03 -1.96 -0.02 0.00 -4.31 0.00 0.00 34.13 27.80 3iec s GLU 199 CO 0.06 -1.19 0.06 -0.59 0.01 0.00 0.00 175.26 173.61 3iec s PHE 200 N -2.38 0.38 -0.20 1.61 -0.12 -0.44 -4.88 117.98 111.93 3iec s PHE 200 Ca 0.66 -0.88 -0.04 0.00 -0.05 0.00 0.00 56.93 56.62 3iec s PHE 200 Cb -0.20 -0.26 0.07 0.00 -0.63 0.00 0.00 43.02 42.00 3iec s PHE 200 CO 0.41 -0.44 0.09 0.95 -0.05 0.00 0.00 175.22 176.18 3iec s THR 201 N -3.90 0.07 0.25 -4.49 -4.23 -1.26 -4.79 115.64 97.29 3iec s THR 201 Ca 0.06 -0.40 0.20 0.00 -1.18 0.00 0.00 61.69 60.37 3iec s THR 201 Cb 0.07 -0.78 0.30 0.00 1.34 0.00 0.00 72.50 73.43 3iec s THR 201 CO -0.10 -0.37 0.84 0.49 -0.54 0.00 0.00 174.62 174.93 3iec n PHE 202 N 5.21 0.28 0.53 3.99 0.99 -1.26 0.10 117.46 127.30 3iec n PHE 202 Ca -0.07 0.28 0.12 0.00 -0.00 0.00 0.00 57.45 57.78 3iec n PHE 202 Cb 0.47 -0.63 0.45 0.00 -1.00 0.00 0.00 39.48 38.77 3iec n PHE 202 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3iec n GLY 203 N -1.33 -1.37 3.09 1.37 0.00 -1.26 -4.65 105.19 101.04 3iec n GLY 203 Ca 0.22 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 3iec n GLY 203 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iec s ASN 204 N -4.03 4.59 0.54 1.61 0.01 0.28 -5.11 114.94 112.84 3iec s ASN 204 Ca 0.07 -1.47 -0.18 0.00 -0.71 0.00 0.00 52.86 50.57 3iec s ASN 204 Cb 0.11 -1.60 -0.06 0.00 0.41 0.00 0.00 41.25 40.11 3iec s ASN 204 CO 0.44 -0.23 1.07 -0.54 -1.51 0.00 0.00 177.10 176.32 3iec s LYS 205 N 1.11 3.49 0.41 -0.60 1.02 -1.26 -4.35 119.74 119.56 3iec s LYS 205 Ca -0.06 1.36 -0.03 0.00 0.02 0.00 0.00 55.97 57.26 3iec s LYS 205 Cb -0.20 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 3iec s LYS 205 CO -0.05 -0.69 0.68 -0.51 -0.92 0.00 0.00 175.35 173.87 3iec s LEU 206 N -3.97 3.81 0.00 3.17 2.01 0.45 -4.84 118.68 119.32 3iec s LEU 206 Ca 0.67 0.74 0.00 0.00 0.01 0.00 0.00 54.13 55.55 3iec s LEU 206 Cb -0.18 -3.65 0.00 0.00 0.01 0.00 0.00 46.19 42.37 3iec s LEU 206 CO 0.28 -0.44 0.00 -0.67 1.01 0.00 0.00 176.35 176.53 3iec n ASP 207 N -1.96 2.47 -4.76 2.29 -0.08 -1.26 -1.97 116.55 111.28 3iec n ASP 207 Ca -0.02 -0.09 -0.40 0.00 -1.51 0.00 0.00 54.79 52.78 3iec n ASP 207 Cb 0.55 0.67 -0.05 0.00 2.34 0.00 0.00 41.12 44.63 3iec n ASP 207 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3iec s THR 208 N -1.17 4.60 -0.52 5.18 2.01 -1.26 -4.96 115.64 119.53 3iec s THR 208 Ca 0.00 1.62 0.03 0.00 0.31 0.00 0.00 61.69 63.65 3iec s THR 208 Cb 0.00 -4.11 0.42 0.00 0.01 0.00 0.00 72.50 68.83 3iec s THR 208 CO 0.00 0.44 1.46 0.49 -0.69 0.00 0.00 174.62 176.32 3iec n PHE 209 N 2.28 3.11 -2.97 4.92 3.01 -1.26 -5.04 117.46 121.52 3iec n PHE 209 Ca -0.04 -2.69 -0.33 0.00 1.01 0.00 0.00 57.45 55.40 3iec n PHE 209 Cb 0.50 -0.60 -0.06 0.00 -0.01 0.00 0.00 39.48 39.31 3iec n PHE 209 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3iec n GLY 211 N -0.54 -1.58 3.39 0.00 0.00 -1.26 -4.95 105.19 100.25 3iec n GLY 211 Ca 0.05 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 3iec n GLY 211 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iec s SER 212 N -2.34 4.43 0.23 1.61 0.01 -1.26 -5.02 113.70 111.36 3iec s SER 212 Ca 0.00 -0.28 -0.07 0.00 1.31 0.00 0.00 55.95 56.91 3iec s SER 212 Cb 0.00 -1.73 0.40 0.00 0.21 0.00 0.00 66.02 64.90 3iec s SER 212 CO 0.00 0.08 1.68 -0.65 0.41 0.00 0.00 173.24 174.76 3iec h PRO 213 N 7.35 0.22 0.00 12.44 0.11 -1.99 -1.09 132.00 149.03 3iec h PRO 213 Ca -0.34 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 3iec h PRO 213 Cb 1.18 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3iec h PRO 213 CO 0.60 0.14 -0.03 -1.35 -0.21 0.00 0.00 178.00 177.15 3iec h PRO 214 N 0.22 0.00 -0.01 1.05 0.11 -1.97 -2.65 132.00 128.76 3iec h PRO 214 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3iec h PRO 214 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3iec h PRO 214 CO -0.51 0.03 -0.51 0.66 -0.21 0.00 0.00 178.00 177.46 3iec n TYR 215 N -3.83 0.00 -2.67 0.65 4.02 -0.51 -4.72 117.16 110.10 3iec n TYR 215 Ca -0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.46 3iec n TYR 215 Cb 0.12 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.39 3iec n TYR 215 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3iec s ALA 216 N -2.17 3.32 0.60 -0.72 0.00 -0.66 -3.71 121.76 118.41 3iec s ALA 216 Ca 0.11 0.67 -0.19 0.00 0.00 0.00 0.00 51.96 52.55 3iec s ALA 216 Cb 0.13 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3iec s ALA 216 CO 0.51 -0.00 1.21 0.00 0.00 0.00 0.00 175.76 177.48 3iec s ALA 217 N -0.52 2.53 0.19 0.00 0.00 -1.26 -4.93 121.76 117.77 3iec s ALA 217 Ca 0.45 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 53.31 3iec s ALA 217 Cb -0.26 -3.46 0.17 0.00 0.00 0.00 0.00 23.12 19.57 3iec s ALA 217 CO 0.32 -1.20 1.78 -1.00 0.00 0.00 0.00 175.76 175.66 3iec h PRO 218 N 0.84 0.46 -0.08 0.00 0.13 -1.88 -1.65 132.00 129.83 3iec h PRO 218 Ca -0.50 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.62 3iec h PRO 218 Cb 1.30 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3iec h PRO 218 CO 0.55 0.31 0.36 1.05 -0.23 0.00 0.00 178.00 180.03 3iec h GLU 219 N 0.48 0.00 0.19 0.86 9.09 -1.91 -0.61 114.58 122.67 3iec h GLU 219 Ca 0.24 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.33 3iec h GLU 219 Cb 0.19 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.30 3iec h GLU 219 CO -0.19 0.00 -1.52 -0.07 0.05 0.00 0.00 179.01 177.28 3iec h LEU 220 N 0.00 0.62 -2.08 3.06 3.38 -1.59 -1.79 115.31 116.91 3iec h LEU 220 Ca 0.04 -0.75 0.01 0.00 0.09 0.00 0.00 57.88 57.26 3iec h LEU 220 Cb 0.75 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3iec h LEU 220 CO -0.00 1.61 0.02 -0.26 0.09 0.00 0.00 178.44 179.90 3iec h PHE 221 N 0.11 0.00 -0.48 1.13 0.04 -1.12 -2.39 116.94 114.23 3iec h PHE 221 Ca -0.26 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.42 3iec h PHE 221 Cb 2.09 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 40.18 3iec h PHE 221 CO 0.10 0.00 0.08 0.00 -0.60 0.00 0.00 178.31 177.89 3iec n GLN 222 N -4.41 3.31 -4.35 1.51 10.64 -1.11 -4.97 117.38 117.99 3iec n GLN 222 Ca -0.02 -3.02 -0.33 0.00 -1.83 0.00 0.00 57.00 51.79 3iec n GLN 222 Cb 0.12 -2.03 -0.10 0.00 -0.86 0.00 0.00 30.24 27.37 3iec n GLN 222 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3iec n GLY 223 N -0.33 -0.17 3.70 2.61 0.00 -0.90 -4.95 105.19 105.15 3iec n GLY 223 Ca 0.31 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 46.12 3iec n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iec s LYS 224 N -7.34 4.22 0.28 1.61 1.02 -0.68 -5.06 119.74 113.79 3iec s LYS 224 Ca 0.15 0.10 -0.29 0.00 0.02 0.00 0.00 55.97 55.95 3iec s LYS 224 Cb -0.09 -3.47 -0.13 0.00 -0.52 0.00 0.00 37.83 33.62 3iec s LYS 224 CO 1.00 0.14 1.25 1.63 -0.92 0.00 0.00 175.35 178.45 3iec n LYS 225 N 3.90 1.84 -4.13 1.68 5.02 -1.26 -4.74 118.16 120.47 3iec n LYS 225 Ca -0.11 0.65 -0.12 0.00 -2.02 0.00 0.00 58.31 56.71 3iec n LYS 225 Cb 0.52 -2.20 -0.11 0.00 -0.02 0.00 0.00 35.03 33.22 3iec n LYS 225 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3iec s TYR 226 N -0.67 0.84 0.08 2.13 -0.85 -0.83 -4.91 117.35 113.13 3iec s TYR 226 Ca 0.62 -0.73 -0.17 0.00 -0.52 0.00 0.00 57.07 56.28 3iec s TYR 226 Cb -0.65 -0.48 -0.11 0.00 0.38 0.00 0.00 41.96 41.09 3iec s TYR 226 CO 0.57 -0.10 1.37 -0.44 -1.52 0.00 0.00 175.55 175.43 3iec h ASP 227 N 3.61 0.65 0.00 -0.18 3.32 -1.90 1.32 116.42 123.24 3iec h ASP 227 Ca -0.36 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.19 3iec h ASP 227 Cb 1.18 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3iec h ASP 227 CO 0.54 1.02 0.00 0.61 -1.72 0.00 0.00 179.24 179.69 3iec n GLY 228 N 0.25 0.76 0.36 2.75 0.00 -1.26 -4.25 105.19 103.79 3iec n GLY 228 Ca -0.05 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 45.92 3iec n GLY 228 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iec h PRO 229 N 0.00 1.01 -0.40 1.61 0.13 -1.94 -2.61 132.00 129.80 3iec h PRO 229 Ca 0.00 -0.06 0.12 0.00 -0.87 0.00 0.00 66.00 65.18 3iec h PRO 229 Cb 0.00 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 30.89 3iec h PRO 229 CO 0.00 0.67 0.37 1.05 -0.23 0.00 0.00 178.00 179.86 3iec h GLU 230 N 1.04 0.00 0.00 0.86 9.09 -1.94 -0.52 114.58 123.11 3iec h GLU 230 Ca 0.47 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.63 3iec h GLU 230 Cb 0.38 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.49 3iec h GLU 230 CO -0.24 0.00 -1.00 0.28 0.05 0.00 0.00 179.01 178.11 3iec h VAL 231 N 0.00 1.34 -0.78 -1.06 2.07 -1.86 -2.20 116.25 113.75 3iec h VAL 231 Ca 0.19 -2.35 0.04 0.00 0.82 0.00 0.00 66.70 65.39 3iec h VAL 231 Cb 0.93 2.40 -0.04 0.00 -1.52 0.00 0.00 31.29 33.06 3iec h VAL 231 CO -0.00 0.71 0.51 0.44 0.02 0.00 0.00 177.57 179.26 3iec h ASP 232 N 0.31 0.82 -0.54 0.57 3.32 -1.25 -2.65 116.42 117.00 3iec h ASP 232 Ca -0.11 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 3iec h ASP 232 Cb 1.64 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.98 3iec h ASP 232 CO 0.19 0.56 0.18 0.58 -1.72 0.00 0.00 179.24 179.02 3iec h VAL 233 N 0.95 1.23 -0.02 -1.35 2.07 -0.93 -1.74 116.25 116.46 3iec h VAL 233 Ca 0.31 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 67.07 3iec h VAL 233 Cb 0.06 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3iec h VAL 233 CO -0.09 0.29 -0.08 -0.25 0.02 0.00 0.00 177.57 177.46 3iec h TRP 234 N 0.75 -0.19 -0.55 1.57 2.91 -1.30 -2.66 115.95 116.48 3iec h TRP 234 Ca 0.18 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.29 3iec h TRP 234 Cb 0.27 0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.97 3iec h TRP 234 CO 0.02 -0.12 0.37 0.77 -1.03 0.00 0.00 178.44 178.45 3iec h SER 235 N -0.12 0.35 -0.32 2.65 0.02 -1.11 -0.86 113.55 114.16 3iec h SER 235 Ca 0.04 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 3iec h SER 235 Cb 0.17 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3iec h SER 235 CO -0.09 0.22 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.64 3iec h LEU 236 N 0.39 0.73 -0.01 5.07 4.07 -1.08 0.23 115.31 124.72 3iec h LEU 236 Ca 0.25 -0.21 0.01 0.00 0.08 0.00 0.00 57.88 58.01 3iec h LEU 236 Cb 0.48 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 3iec h LEU 236 CO -0.07 0.86 -0.03 1.23 -1.08 0.00 0.00 178.44 179.36 3iec h GLY 237 N 0.97 -0.02 1.01 0.83 0.00 -0.83 -0.53 103.07 104.50 3iec h GLY 237 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3iec h GLY 237 CO 0.04 -0.03 0.56 -2.08 0.00 0.00 0.00 176.54 175.03 3iec h VAL 238 N -0.04 1.24 -0.52 4.60 2.07 -0.97 -2.03 116.25 120.60 3iec h VAL 238 Ca 0.02 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3iec h VAL 238 Cb 0.06 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.76 3iec h VAL 238 CO -0.04 0.24 0.34 0.40 0.02 0.00 0.00 177.57 178.54 3iec h ILE 239 N 1.21 1.13 -0.39 4.57 2.04 -0.79 -1.69 117.51 123.59 3iec h ILE 239 Ca 0.32 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.95 3iec h ILE 239 Cb -0.10 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3iec h ILE 239 CO -0.07 0.13 0.24 0.25 0.00 0.00 0.00 178.15 178.71 3iec h LEU 240 N 0.71 0.41 -0.81 1.44 6.46 -0.66 0.08 115.31 122.93 3iec h LEU 240 Ca 0.19 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 3iec h LEU 240 Cb -0.08 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 39.71 3iec h LEU 240 CO -0.04 0.29 0.53 0.22 -0.62 0.00 0.00 178.44 178.82 3iec h TYR 241 N 0.49 1.00 -0.15 1.25 5.03 -1.23 -2.33 116.97 121.03 3iec h TYR 241 Ca 0.15 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.36 3iec h TYR 241 Cb -0.02 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 37.91 3iec h TYR 241 CO -0.06 0.60 -0.46 1.15 -1.32 0.00 0.00 178.16 178.07 3iec h THR 242 N 1.05 1.32 -0.29 1.81 2.02 -0.33 -1.21 112.91 117.29 3iec h THR 242 Ca 0.31 -1.65 -0.08 0.00 0.77 0.00 0.00 66.41 65.76 3iec h THR 242 Cb -0.05 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3iec h THR 242 CO -0.09 0.50 -0.14 -0.07 0.37 0.00 0.00 175.52 176.09 3iec h LEU 243 N 0.29 0.63 0.02 2.58 3.38 -0.57 0.32 115.31 121.96 3iec h LEU 243 Ca 0.02 -0.41 -0.23 0.00 0.09 0.00 0.00 57.88 57.35 3iec h LEU 243 Cb 0.92 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3iec h LEU 243 CO 0.08 0.90 -1.17 -0.37 0.09 0.00 0.00 178.44 177.96 3iec h VAL 244 N 0.36 1.52 0.00 1.22 -1.51 -1.34 -0.96 116.25 115.54 3iec h VAL 244 Ca 0.06 -3.24 -0.14 0.00 -1.23 0.00 0.00 66.70 62.16 3iec h VAL 244 Cb 0.66 2.78 -0.03 0.00 -2.13 0.00 0.00 31.29 32.58 3iec h VAL 244 CO 0.04 0.88 -1.96 -1.54 -1.23 0.00 0.00 177.57 173.76 3iec n SER 245 N -3.32 0.92 -0.21 4.19 3.41 -0.46 -4.49 113.62 113.66 3iec n SER 245 Ca -0.05 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.54 3iec n SER 245 Cb 0.97 1.41 -0.01 0.00 -0.26 0.00 0.00 64.21 66.32 3iec n SER 245 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iec n GLY 246 N 1.71 0.60 3.27 5.00 0.00 0.11 -4.74 105.19 111.15 3iec n GLY 246 Ca -0.14 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 3iec n GLY 246 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iec s SER 247 N -2.73 0.13 0.04 1.61 1.04 -1.25 -4.93 113.70 107.61 3iec s SER 247 Ca 0.00 -0.95 -0.21 0.00 0.48 0.00 0.00 55.95 55.27 3iec s SER 247 Cb 0.00 0.39 -0.06 0.00 0.10 0.00 0.00 66.02 66.45 3iec s SER 247 CO 0.00 -0.83 0.62 -0.76 0.98 0.00 0.00 173.24 173.25 3iec s LEU 248 N -2.98 4.47 0.18 2.42 1.43 -1.26 -3.89 118.68 119.05 3iec s LEU 248 Ca 0.18 1.26 -0.05 0.00 -1.03 0.00 0.00 54.13 54.49 3iec s LEU 248 Cb 0.05 -2.98 0.09 0.00 0.03 0.00 0.00 46.19 43.38 3iec s LEU 248 CO -0.01 0.15 1.51 1.55 0.23 0.00 0.00 176.35 179.79 3iec h PRO 249 N 5.19 0.66 -5.00 1.29 0.13 -1.92 -3.43 132.00 128.92 3iec h PRO 249 Ca -0.47 -0.38 -0.67 0.00 -0.87 0.00 0.00 66.00 63.61 3iec h PRO 249 Cb 1.21 0.03 -0.35 0.00 0.13 0.00 0.00 31.00 32.02 3iec h PRO 249 CO 0.68 1.00 -0.83 -0.06 -0.23 0.00 0.00 178.00 178.55 3iec s PHE 250 N -4.15 2.91 0.24 1.56 0.08 -1.26 -4.77 117.98 112.59 3iec s PHE 250 Ca -0.08 -1.74 -0.12 0.00 0.12 0.00 0.00 56.93 55.10 3iec s PHE 250 Cb 0.11 -1.94 0.05 0.00 -0.57 0.00 0.00 43.02 40.67 3iec s PHE 250 CO 0.85 -0.80 0.63 -3.47 -0.10 0.00 0.00 175.22 172.32 3iec n ASP 251 N 4.59 -1.55 0.00 1.36 -0.08 -1.26 -4.70 116.55 114.92 3iec n ASP 251 Ca -0.19 -2.00 0.00 0.00 -1.51 0.00 0.00 54.79 51.09 3iec n ASP 251 Cb 0.48 2.56 0.00 0.00 2.34 0.00 0.00 41.12 46.50 3iec n ASP 251 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3iec n GLY 252 N -0.43 2.57 0.18 0.27 0.00 -1.26 -4.40 105.19 102.12 3iec n GLY 252 Ca -0.05 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.43 3iec n GLY 252 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3iec h GLN 253 N 0.00 0.00 -3.64 1.61 4.15 -2.02 -3.48 115.11 111.73 3iec h GLN 253 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 3iec h GLN 253 Cb 0.00 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.62 3iec h GLN 253 CO 0.00 0.04 -0.05 0.54 -1.93 0.00 0.00 178.83 177.43 3iec s ASN 254 N -5.95 0.24 0.23 -0.69 4.22 -1.26 -5.08 114.94 106.64 3iec s ASN 254 Ca 0.04 -1.13 -0.03 0.00 -2.14 0.00 0.00 52.86 49.60 3iec s ASN 254 Cb 0.07 0.67 0.22 0.00 1.28 0.00 0.00 41.25 43.49 3iec s ASN 254 CO 0.72 -1.30 1.65 -0.07 -2.04 0.00 0.00 177.10 176.06 3iec h LEU 255 N 2.15 0.75 -0.95 3.54 -0.00 -1.99 -2.53 115.31 116.28 3iec h LEU 255 Ca -0.27 -0.26 -0.10 0.00 -0.00 0.00 0.00 57.88 57.25 3iec h LEU 255 Cb 1.25 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.69 3iec h LEU 255 CO 0.37 0.94 -0.29 0.11 -0.00 0.00 0.00 178.44 179.57 3iec h LYS 256 N 0.66 0.41 -0.32 1.13 1.79 -1.98 0.55 116.57 118.81 3iec h LYS 256 Ca 0.10 -0.16 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 3iec h LYS 256 Cb 0.69 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 3iec h LYS 256 CO 0.05 0.67 -0.04 1.49 -1.08 0.00 0.00 179.45 180.54 3iec h GLU 257 N 0.36 0.59 0.09 3.15 4.81 -1.91 -0.87 114.58 120.81 3iec h GLU 257 Ca 0.05 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3iec h GLU 257 Cb 0.70 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 3iec h GLU 257 CO 0.05 0.75 -0.23 1.25 -0.73 0.00 0.00 179.01 180.10 3iec h LEU 258 N 0.37 -0.67 -0.68 1.64 5.85 -0.99 -1.96 115.31 118.88 3iec h LEU 258 Ca 0.08 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.01 3iec h LEU 258 Cb 0.51 0.26 -0.13 0.00 0.37 0.00 0.00 40.66 41.67 3iec h LEU 258 CO 0.02 -0.32 -0.28 -0.09 -0.34 0.00 0.00 178.44 177.44 3iec h ARG 259 N -0.42 -0.08 -0.04 1.25 2.43 0.10 0.32 114.38 117.94 3iec h ARG 259 Ca 0.03 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3iec h ARG 259 Cb 0.45 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 3iec h ARG 259 CO -0.15 -0.06 -0.17 0.93 -1.51 0.00 0.00 179.97 179.02 3iec h GLU 260 N -0.09 -0.25 -0.51 0.20 5.08 -0.84 0.61 114.58 118.79 3iec h GLU 260 Ca 0.29 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3iec h GLU 260 Cb 0.55 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3iec h GLU 260 CO -0.73 -0.17 0.30 0.00 -1.00 0.00 0.00 179.01 177.41 3iec h ARG 261 N -0.26 0.69 -0.06 2.33 3.08 -0.77 0.16 114.38 119.55 3iec h ARG 261 Ca 0.07 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3iec h ARG 261 Cb 0.35 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3iec h ARG 261 CO -0.19 0.51 0.02 0.28 -1.07 0.00 0.00 179.97 179.52 3iec h VAL 262 N 0.68 0.99 -0.64 2.04 2.07 -0.59 0.23 116.25 121.02 3iec h VAL 262 Ca 0.18 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.69 3iec h VAL 262 Cb -0.00 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3iec h VAL 262 CO -0.03 0.01 0.42 -0.07 0.02 0.00 0.00 177.57 177.92 3iec h LEU 263 N 0.06 0.74 -1.00 2.57 3.38 -0.54 -0.46 115.31 120.06 3iec h LEU 263 Ca 0.03 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3iec h LEU 263 Cb 0.01 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.49 3iec h LEU 263 CO -0.03 0.54 0.62 0.03 0.09 0.00 0.00 178.44 179.70 3iec h ARG 264 N 0.87 0.96 -0.11 1.13 3.08 -0.50 -3.47 114.38 116.34 3iec h ARG 264 Ca 0.24 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 3iec h ARG 264 Cb -0.10 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.72 3iec h ARG 264 CO -0.05 0.64 -0.04 0.41 -1.07 0.00 0.00 179.97 179.85 3iec n GLY 265 N -1.35 0.58 3.62 0.04 0.00 0.05 -5.03 105.19 103.10 3iec n GLY 265 Ca 0.19 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 3iec n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iec s LYS 266 N -1.73 2.62 0.05 1.61 1.02 -1.25 -4.98 119.74 117.08 3iec s LYS 266 Ca 0.00 -0.69 -0.15 0.00 0.02 0.00 0.00 55.97 55.15 3iec s LYS 266 Cb 0.00 -2.55 0.02 0.00 -0.52 0.00 0.00 37.83 34.79 3iec s LYS 266 CO 0.00 0.61 0.34 1.52 -0.92 0.00 0.00 175.35 176.90 3iec s TYR 267 N -1.01 -0.15 -0.11 3.18 -0.85 -1.26 -4.92 117.35 112.23 3iec s TYR 267 Ca 0.17 0.00 -0.15 0.00 -0.52 0.00 0.00 57.07 56.58 3iec s TYR 267 Cb -0.11 0.14 -0.05 0.00 0.38 0.00 0.00 41.96 42.32 3iec s TYR 267 CO 0.08 -0.55 0.35 0.50 -1.52 0.00 0.00 175.55 174.42 3iec s ARG 268 N -2.73 4.14 -0.26 -3.49 3.52 -1.26 -5.05 118.95 113.81 3iec s ARG 268 Ca -0.04 0.24 -0.18 0.00 -0.13 0.00 0.00 55.73 55.62 3iec s ARG 268 Cb -0.00 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 3iec s ARG 268 CO -0.04 0.37 0.54 0.42 -0.81 0.00 0.00 175.30 175.77 3iec s ILE 269 N 0.02 5.05 0.56 4.11 1.09 -1.26 -5.05 121.20 125.72 3iec s ILE 269 Ca 0.20 0.90 -0.19 0.00 -1.10 0.00 0.00 60.65 60.46 3iec s ILE 269 Cb -0.14 -3.86 -0.05 0.00 -1.06 0.00 0.00 42.46 37.35 3iec s ILE 269 CO 0.08 0.06 1.19 -2.84 -0.10 0.00 0.00 174.94 173.32 3iec s PRO 270 N 2.36 3.16 0.46 2.79 0.02 -1.26 -4.92 135.00 137.61 3iec s PRO 270 Ca 0.22 1.78 0.17 0.00 0.02 0.00 0.00 61.00 63.19 3iec s PRO 270 Cb -0.16 -2.01 1.14 0.00 0.02 0.00 0.00 34.50 33.49 3iec s PRO 270 CO 0.09 -1.05 2.00 0.35 -0.33 0.00 0.00 177.00 178.06 3iec h PHE 271 N 1.11 0.30 0.00 6.54 3.57 -2.03 -1.99 116.94 124.43 3iec h PHE 271 Ca -0.50 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.01 3iec h PHE 271 Cb 1.28 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3iec h PHE 271 CO 0.48 0.14 0.00 0.10 -2.23 0.00 0.00 178.31 176.80 3iec h TYR 272 N 0.28 0.00 -3.14 0.41 -0.00 -2.03 -3.46 116.97 109.03 3iec h TYR 272 Ca 0.25 0.00 -0.53 0.00 0.00 0.00 0.00 58.73 58.45 3iec h TYR 272 Cb 0.62 0.00 0.04 0.00 0.00 0.00 0.00 36.73 37.39 3iec h TYR 272 CO -0.00 0.00 0.78 1.41 -0.00 0.00 0.00 178.16 180.35 3iec s MET 273 N -3.28 4.27 0.66 0.10 1.75 -0.75 -4.97 119.30 117.08 3iec s MET 273 Ca 0.06 2.26 -0.16 0.00 -1.25 0.00 0.00 55.69 56.60 3iec s MET 273 Cb 0.09 -3.15 -0.00 0.00 2.84 0.00 0.00 34.83 34.60 3iec s MET 273 CO 0.58 -0.47 1.16 -1.54 -0.65 0.00 0.00 175.02 174.11 3iec s SER 274 N 0.73 4.88 0.23 1.11 1.04 -1.26 -4.87 113.70 115.56 3iec s SER 274 Ca 0.63 2.22 -0.07 0.00 0.48 0.00 0.00 55.95 59.21 3iec s SER 274 Cb -0.41 -2.58 0.25 0.00 0.10 0.00 0.00 66.02 63.38 3iec s SER 274 CO 0.37 -1.80 1.88 0.74 0.98 0.00 0.00 173.24 175.41 3iec h THR 275 N 0.22 1.15 -0.94 2.02 2.02 -1.98 -1.85 112.91 113.55 3iec h THR 275 Ca -0.48 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 3iec h THR 275 Cb 1.28 -0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 3iec h THR 275 CO 0.53 0.20 0.55 0.44 0.37 0.00 0.00 175.52 177.61 3iec h ASP 276 N 1.07 1.14 -0.42 4.18 3.32 -1.98 0.32 116.42 124.06 3iec h ASP 276 Ca 0.33 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 3iec h ASP 276 Cb -0.01 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 3iec h ASP 276 CO -0.11 0.89 0.01 0.00 -1.72 0.00 0.00 179.24 178.31 3iec h GLU 278 N 0.57 1.00 -0.66 0.00 4.81 -0.83 -1.08 114.58 118.39 3iec h GLU 278 Ca 0.12 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3iec h GLU 278 Cb 0.47 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3iec h GLU 278 CO 0.02 0.73 0.26 -0.91 -0.73 0.00 0.00 179.01 178.38 3iec h ASN 279 N 0.99 0.89 -0.39 1.04 -0.26 0.03 -2.42 115.58 115.46 3iec h ASN 279 Ca 0.26 -0.13 -0.03 0.00 -0.56 0.00 0.00 56.30 55.84 3iec h ASN 279 Cb 0.01 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.02 3iec h ASN 279 CO -0.04 0.80 0.12 0.25 -1.06 0.00 0.00 177.43 177.49 3iec h LEU 280 N 0.95 0.57 -1.51 1.61 6.46 0.29 -2.98 115.31 120.71 3iec h LEU 280 Ca 0.22 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 3iec h LEU 280 Cb 0.19 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 3iec h LEU 280 CO -0.02 0.63 0.33 -0.07 -0.62 0.00 0.00 178.44 178.69 3iec h LEU 281 N 0.48 0.57 -2.07 2.25 3.38 -1.04 -1.46 115.31 117.42 3iec h LEU 281 Ca 0.12 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3iec h LEU 281 Cb 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3iec h LEU 281 CO -0.00 0.42 0.25 0.11 0.09 0.00 0.00 178.44 179.31 3iec h LYS 282 N 0.68 0.00 -0.00 1.13 1.57 -1.27 -0.92 116.57 117.75 3iec h LYS 282 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3iec h LYS 282 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3iec h LYS 282 CO -0.04 0.00 -0.34 1.63 -0.57 0.00 0.00 179.45 180.14 3iec n LYS 283 N -4.19 0.10 -0.12 3.15 5.02 -0.55 -4.15 118.16 117.42 3iec n LYS 283 Ca 0.04 -0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 3iec n LYS 283 Cb 0.41 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 3iec n LYS 283 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3iec n PHE 284 N -1.41 0.00 -2.28 2.13 3.72 -0.68 -3.99 117.46 114.94 3iec n PHE 284 Ca 0.07 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 3iec n PHE 284 Cb 0.33 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 3iec n PHE 284 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3iec n LEU 285 N -4.13 7.16 -4.38 4.37 4.77 -0.44 -4.36 117.00 120.01 3iec n LEU 285 Ca -0.46 -4.81 -0.34 0.00 -0.03 0.00 0.00 56.01 50.37 3iec n LEU 285 Cb 0.81 -1.41 -0.14 0.00 -2.33 0.00 0.00 43.42 40.36 3iec n LEU 285 CO 0.04 1.68 -0.41 -0.63 -1.33 0.00 0.00 177.39 176.73 3iec s ILE 286 N -0.63 3.28 0.21 -0.08 1.01 -1.26 -4.93 121.20 118.80 3iec s ILE 286 Ca 0.44 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 3iec s ILE 286 Cb 0.13 -2.42 0.16 0.00 0.01 0.00 0.00 42.46 40.34 3iec s ILE 286 CO -0.03 0.49 1.82 -0.07 0.00 0.00 0.00 174.94 177.16 3iec h LEU 287 N 7.09 1.03 -9.00 2.97 3.38 -1.93 -3.40 115.31 115.44 3iec h LEU 287 Ca -0.31 -0.12 -0.58 0.00 0.09 0.00 0.00 57.88 56.96 3iec h LEU 287 Cb 1.19 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 3iec h LEU 287 CO 0.59 0.85 0.72 0.21 0.09 0.00 0.00 178.44 180.90 3iec s ASN 288 N -6.18 6.94 0.48 -0.43 3.84 -1.26 -4.73 114.94 113.60 3iec s ASN 288 Ca -0.13 1.11 0.26 0.00 0.21 0.00 0.00 52.86 54.32 3iec s ASN 288 Cb 0.16 -2.51 1.14 0.00 -0.55 0.00 0.00 41.25 39.49 3iec s ASN 288 CO 0.82 -0.72 1.92 1.55 -2.79 0.00 0.00 177.10 177.87 3iec h PRO 289 N 7.81 0.00 0.00 0.43 0.14 -1.97 -0.51 132.00 137.91 3iec h PRO 289 Ca -0.21 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.93 3iec h PRO 289 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.21 3iec h PRO 289 CO 0.97 0.17 0.00 0.77 0.14 0.00 0.00 178.00 180.05 3iec h SER 290 N 0.00 0.00 1.31 1.44 0.02 -1.94 -3.20 113.55 111.17 3iec h SER 290 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3iec h SER 290 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3iec h SER 290 CO 0.02 0.00 -0.27 0.11 -1.14 0.00 0.00 176.83 175.55 3iec h LYS 291 N 0.00 0.00 -6.08 3.45 1.79 -1.46 -3.46 116.57 110.81 3iec h LYS 291 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 3iec h LYS 291 Cb 0.61 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.22 3iec h LYS 291 CO 0.00 0.00 -0.20 -0.98 -1.08 0.00 0.00 179.45 177.19 3iec s ARG 292 N -3.15 3.88 0.64 3.15 1.70 -1.21 -5.03 118.95 118.94 3iec s ARG 292 Ca 0.08 0.36 -0.10 0.00 -0.47 0.00 0.00 55.73 55.59 3iec s ARG 292 Cb 0.12 -3.12 -0.01 0.00 -0.57 0.00 0.00 34.95 31.36 3iec s ARG 292 CO 0.66 0.63 1.03 0.20 -1.08 0.00 0.00 175.30 176.73 3iec s GLY 293 N -1.36 1.63 0.96 3.88 0.00 -1.26 -5.04 107.32 106.14 3iec s GLY 293 Ca 0.28 -0.28 -0.12 0.00 0.00 0.00 0.00 44.72 44.60 3iec s GLY 293 CO 0.16 0.02 1.09 -0.51 0.00 0.00 0.00 173.10 173.86 3iec s THR 294 N -3.20 2.27 0.29 0.90 -4.23 -1.26 -4.88 115.64 105.52 3iec s THR 294 Ca 0.56 0.09 0.10 0.00 -1.18 0.00 0.00 61.69 61.25 3iec s THR 294 Cb -0.11 -2.58 -0.00 0.00 1.34 0.00 0.00 72.50 71.15 3iec s THR 294 CO 0.52 -0.11 1.65 -0.07 -0.54 0.00 0.00 174.62 176.07 3iec h LEU 295 N -1.77 0.06 -1.49 4.79 3.38 -1.98 -2.28 115.31 116.01 3iec h LEU 295 Ca -0.53 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 3iec h LEU 295 Cb 1.31 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 3iec h LEU 295 CO 0.57 0.60 -0.02 -0.08 0.09 0.00 0.00 178.44 179.59 3iec h GLU 296 N 0.04 0.29 0.20 1.13 4.81 -1.97 -0.82 114.58 118.27 3iec h GLU 296 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3iec h GLU 296 Cb 0.99 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3iec h GLU 296 CO 0.07 0.34 -0.10 1.96 -0.73 0.00 0.00 179.01 180.56 3iec h GLN 297 N 0.29 -0.26 -0.50 1.92 4.20 -1.86 -3.31 115.11 115.59 3iec h GLN 297 Ca 0.07 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.94 3iec h GLN 297 Cb 0.24 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3iec h GLN 297 CO 0.01 0.14 0.38 0.82 -0.67 0.00 0.00 178.83 179.51 3iec h ILE 298 N -0.82 0.67 0.00 2.54 2.04 -1.11 -0.83 117.51 120.01 3iec h ILE 298 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3iec h ILE 298 Cb 0.52 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3iec h ILE 298 CO 0.05 0.00 -0.05 0.24 0.00 0.00 0.00 178.15 178.38 3iec h MET 299 N 0.00 0.00 -0.00 2.37 2.86 -1.24 -1.64 114.93 117.28 3iec h MET 299 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3iec h MET 299 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 3iec h MET 299 CO -0.00 0.05 -0.02 1.63 1.06 0.00 0.00 176.91 179.62 3iec n LYS 300 N -3.86 0.58 -2.12 1.72 5.02 -0.32 -4.22 118.16 114.96 3iec n LYS 300 Ca -0.03 -0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.83 3iec n LYS 300 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3iec n LYS 300 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3iec s ASP 301 N -2.46 5.96 0.13 4.39 -1.08 -0.62 -4.94 116.67 118.06 3iec s ASP 301 Ca 0.32 2.45 -0.26 0.00 -0.52 0.00 0.00 52.55 54.54 3iec s ASP 301 Cb 0.20 -2.61 -0.03 0.00 -1.46 0.00 0.00 42.92 39.02 3iec s ASP 301 CO 0.45 -1.07 1.62 -0.09 0.52 0.00 0.00 175.17 176.60 3iec h ARG 302 N 1.97 -0.38 -0.64 4.34 9.65 -1.92 -2.63 114.38 124.77 3iec h ARG 302 Ca -0.50 0.03 0.08 0.00 -1.10 0.00 0.00 59.98 58.49 3iec h ARG 302 Cb 1.26 0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 29.86 3iec h ARG 302 CO 0.60 -0.26 0.30 2.35 2.80 0.00 0.00 179.97 185.76 3iec h TRP 303 N -0.40 0.54 -0.45 2.20 7.01 -1.93 -1.36 115.95 121.57 3iec h TRP 303 Ca 0.09 0.03 0.13 0.00 2.11 0.00 0.00 58.89 61.24 3iec h TRP 303 Cb 0.53 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 3iec h TRP 303 CO -0.37 0.20 0.32 0.52 -2.79 0.00 0.00 178.44 176.32 3iec h MET 304 N 0.54 0.01 -0.20 2.65 2.86 -1.81 -3.01 114.93 115.97 3iec h MET 304 Ca 0.31 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 3iec h MET 304 Cb 0.31 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3iec h MET 304 CO -0.25 0.00 0.00 0.09 1.06 0.00 0.00 176.91 177.82 3iec n ASN 305 N -4.41 2.45 -4.68 1.22 3.02 -0.56 -4.88 115.26 107.43 3iec n ASN 305 Ca 0.08 -1.85 -0.42 0.00 -0.03 0.00 0.00 54.58 52.35 3iec n ASN 305 Cb 0.52 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 3iec n ASN 305 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3iec n VAL 306 N 0.29 0.57 -0.84 2.41 0.31 -0.91 0.08 118.33 120.25 3iec n VAL 306 Ca 0.08 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3iec n VAL 306 Cb 0.34 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.05 3iec n VAL 306 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iec n GLY 307 N 4.40 0.62 2.45 2.92 0.00 -1.26 -4.91 105.19 109.42 3iec n GLY 307 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 3iec n GLY 307 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iec n HIS 308 N -2.73 2.19 -0.02 1.61 -0.00 0.11 -4.89 115.22 111.50 3iec n HIS 308 Ca 0.00 -2.47 0.05 0.00 -0.00 0.00 0.00 57.72 55.30 3iec n HIS 308 Cb 0.00 -0.26 0.43 0.00 -0.00 0.00 0.00 29.99 30.15 3iec n HIS 308 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 3iec h GLU 309 N 2.52 0.54 0.00 -0.41 3.07 -1.91 -2.13 114.58 116.25 3iec h GLU 309 Ca 0.13 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3iec h GLU 309 Cb 1.28 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3iec h GLU 309 CO 0.57 0.36 -1.13 -0.25 -1.40 0.00 0.00 179.01 177.16 3iec n ASP 310 N -4.47 0.61 -3.39 1.42 9.92 -1.26 -4.65 116.55 114.72 3iec n ASP 310 Ca 0.04 -0.34 -0.26 0.00 -0.53 0.00 0.00 54.79 53.70 3iec n ASP 310 Cb 0.09 0.97 -0.09 0.00 -0.64 0.00 0.00 41.12 41.46 3iec n ASP 310 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3iec n ASP 311 N -1.90 1.32 -4.66 -2.24 3.85 -0.81 -5.11 116.55 107.01 3iec n ASP 311 Ca 0.02 -2.88 -0.39 0.00 -0.71 0.00 0.00 54.79 50.82 3iec n ASP 311 Cb 0.43 -0.64 0.03 0.00 -1.35 0.00 0.00 41.12 39.59 3iec n ASP 311 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 3iec n GLU 312 N 1.67 1.38 -2.22 0.11 2.13 -1.17 -4.85 120.64 117.68 3iec n GLU 312 Ca 0.25 0.51 -0.42 0.00 0.66 0.00 0.00 57.16 58.15 3iec n GLU 312 Cb 0.46 -2.28 -0.03 0.00 0.27 0.00 0.00 31.44 29.87 3iec n GLU 312 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3iec s LEU 313 N -1.98 4.32 0.17 4.31 2.96 -1.26 -5.02 118.68 122.19 3iec s LEU 313 Ca 0.69 2.14 0.08 0.00 -0.22 0.00 0.00 54.13 56.81 3iec s LEU 313 Cb -0.46 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.62 3iec s LEU 313 CO 0.52 -0.70 -0.16 -0.75 -1.32 0.00 0.00 176.35 173.93 3iec s LYS 314 N 2.22 1.22 0.30 1.98 2.20 -1.26 -4.56 119.74 121.85 3iec s LYS 314 Ca 0.64 -1.43 -0.29 0.00 -0.36 0.00 0.00 55.97 54.53 3iec s LYS 314 Cb -0.32 -1.14 -0.13 0.00 -1.51 0.00 0.00 37.83 34.73 3iec s LYS 314 CO 0.27 0.21 1.24 -2.30 -0.36 0.00 0.00 175.35 174.42 3iec n PRO 315 N 0.12 1.90 -2.27 4.03 -0.02 -1.26 -4.94 135.00 132.57 3iec n PRO 315 Ca -0.12 0.67 -0.39 0.00 -2.02 0.00 0.00 63.50 61.64 3iec n PRO 315 Cb 0.58 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 3iec n PRO 315 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3iec s TYR 316 N -0.86 3.11 -0.30 6.00 5.04 -1.26 -5.02 117.35 124.06 3iec s TYR 316 Ca 0.59 1.54 -0.08 0.00 -2.44 0.00 0.00 57.07 56.68 3iec s TYR 316 Cb -0.62 -3.45 0.01 0.00 0.35 0.00 0.00 41.96 38.24 3iec s TYR 316 CO 0.59 -1.38 0.10 0.08 -1.34 0.00 0.00 175.55 173.61 3iec s VAL 317 N -1.32 4.13 0.22 3.14 1.01 -1.26 -4.96 120.40 121.36 3iec s VAL 317 Ca 0.54 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.55 3iec s VAL 317 Cb -0.33 -3.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.80 3iec s VAL 317 CO 0.42 0.06 1.62 -0.70 0.00 0.00 0.00 175.10 176.50 3iec s GLU 318 N 1.52 4.16 0.53 2.72 2.12 -1.26 -4.95 118.70 123.54 3iec s GLU 318 Ca 0.03 2.50 -0.19 0.00 0.36 0.00 0.00 54.97 57.67 3iec s GLU 318 Cb -0.17 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.06 3iec s GLU 318 CO 0.03 -0.65 1.08 -1.25 -0.54 0.00 0.00 175.26 173.93 3iec s PRO 319 N 0.67 3.52 0.42 4.30 0.04 -1.26 -4.98 135.00 137.72 3iec s PRO 319 Ca 0.70 1.44 -0.24 0.00 0.04 0.00 0.00 61.00 62.94 3iec s PRO 319 Cb -0.47 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 3iec s PRO 319 CO 0.36 -0.68 1.13 -0.51 0.04 0.00 0.00 177.00 177.34 3iec s LEU 320 N -3.80 4.11 0.38 -3.56 1.43 -1.26 -4.95 118.68 111.03 3iec s LEU 320 Ca 0.69 2.23 -0.28 0.00 -1.03 0.00 0.00 54.13 55.74 3iec s LEU 320 Cb -0.19 -4.16 -0.11 0.00 0.03 0.00 0.00 46.19 41.76 3iec s LEU 320 CO 0.26 -0.71 1.46 -2.16 0.23 0.00 0.00 176.35 175.43 3iec s PRO 321 N -2.51 4.11 -0.37 1.29 0.04 -1.26 -4.99 135.00 131.31 3iec s PRO 321 Ca 0.60 2.52 0.01 0.00 0.04 0.00 0.00 61.00 64.16 3iec s PRO 321 Cb -0.27 -2.96 0.12 0.00 0.04 0.00 0.00 34.50 31.43 3iec s PRO 321 CO 0.34 -0.51 0.17 0.34 0.04 0.00 0.00 177.00 177.38 3iec s ASP 322 N -0.21 3.75 0.00 6.66 2.15 -1.26 -4.98 116.67 122.78 3iec s ASP 322 Ca 0.53 -2.16 0.25 0.00 0.43 0.00 0.00 52.55 51.60 3iec s ASP 322 Cb -0.45 -0.90 0.30 0.00 -0.30 0.00 0.00 42.92 41.57 3iec s ASP 322 CO 0.62 -0.34 1.32 -1.22 -0.17 0.00 0.00 175.17 175.38 3iec n TYR 323 N 4.16 0.00 -2.54 -5.34 4.01 -1.26 -4.49 117.16 111.69 3iec n TYR 323 Ca 0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.58 3iec n TYR 323 Cb 0.38 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.42 3iec n TYR 323 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3iec n LYS 324 N 1.11 2.57 -2.62 -0.72 5.02 -1.26 -4.85 118.16 117.40 3iec n LYS 324 Ca 0.14 -4.03 -0.43 0.00 -2.02 0.00 0.00 58.31 51.98 3iec n LYS 324 Cb 0.56 -1.87 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 3iec n LYS 324 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3iec s ASP 325 N -3.39 6.97 0.25 4.39 2.15 -1.26 -4.92 116.67 120.86 3iec s ASP 325 Ca 0.40 1.18 -0.04 0.00 0.43 0.00 0.00 52.55 54.52 3iec s ASP 325 Cb 0.42 -2.54 0.33 0.00 -0.30 0.00 0.00 42.92 40.83 3iec s ASP 325 CO -0.10 -0.82 1.90 -0.65 -0.17 0.00 0.00 175.17 175.32 3iec h PRO 326 N 7.97 1.19 0.47 4.34 0.11 -1.99 -1.71 132.00 142.38 3iec h PRO 326 Ca -0.21 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 3iec h PRO 326 Cb 1.06 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3iec h PRO 326 CO 1.02 0.79 -0.23 -0.09 -0.21 0.00 0.00 178.00 179.28 3iec h ARG 327 N 1.23 -0.61 -0.09 1.05 2.43 -2.00 -1.34 114.38 115.06 3iec h ARG 327 Ca 0.40 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 3iec h ARG 327 Cb 0.03 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3iec h ARG 327 CO -0.13 -0.30 0.06 0.00 -1.51 0.00 0.00 179.97 178.08 3iec h ARG 328 N -0.94 0.09 -0.13 0.20 3.08 -1.96 -1.70 114.38 113.03 3iec h ARG 328 Ca -0.06 -0.01 -0.23 0.00 0.07 0.00 0.00 59.98 59.75 3iec h ARG 328 Cb 0.59 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.63 3iec h ARG 328 CO 0.11 0.06 -0.81 1.15 -1.07 0.00 0.00 179.97 179.40 3iec h THR 329 N 0.10 1.28 0.12 2.04 2.02 -1.07 -2.03 112.91 115.36 3iec h THR 329 Ca 0.03 -2.01 0.00 0.00 0.77 0.00 0.00 66.41 65.20 3iec h THR 329 Cb 0.02 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 3iec h THR 329 CO -0.01 0.64 -0.10 -0.33 0.37 0.00 0.00 175.52 176.08 3iec h GLU 330 N 0.52 -0.23 -0.81 6.66 4.39 -0.94 -0.95 114.58 123.22 3iec h GLU 330 Ca -0.06 0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.81 3iec h GLU 330 Cb 1.45 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 30.05 3iec h GLU 330 CO 0.17 -0.15 0.36 -0.07 -1.16 0.00 0.00 179.01 178.15 3iec h LEU 331 N -0.24 0.37 -0.27 1.33 3.38 -1.24 -1.48 115.31 117.15 3iec h LEU 331 Ca 0.00 0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 3iec h LEU 331 Cb 0.22 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3iec h LEU 331 CO -0.02 0.13 -0.78 0.24 0.09 0.00 0.00 178.44 178.10 3iec h MET 332 N 0.50 0.57 -0.17 1.13 2.86 -1.14 -1.89 114.93 116.79 3iec h MET 332 Ca 0.45 -0.48 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3iec h MET 332 Cb 0.70 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3iec h MET 332 CO -0.41 1.11 -0.02 0.28 1.06 0.00 0.00 176.91 178.93 3iec h VAL 333 N 0.38 1.12 0.00 -2.22 2.07 -0.67 0.33 116.25 117.27 3iec h VAL 333 Ca -0.05 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 3iec h VAL 333 Cb 1.38 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3iec h VAL 333 CO 0.15 0.16 -0.53 0.28 0.02 0.00 0.00 177.57 177.65 3iec h SER 334 N 0.24 0.00 0.92 0.57 0.02 -0.96 -1.44 113.55 112.90 3iec h SER 334 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3iec h SER 334 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3iec h SER 334 CO 0.01 0.53 0.00 0.23 -1.14 0.00 0.00 176.83 176.46 3iec n MET 335 N -3.37 0.20 0.00 3.45 2.81 -0.74 -4.92 117.12 114.55 3iec n MET 335 Ca 0.01 0.35 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 3iec n MET 335 Cb 0.68 -1.83 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 3iec n MET 335 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iec n GLY 336 N 0.38 0.80 3.82 3.03 0.00 -0.54 -5.08 105.19 107.60 3iec n GLY 336 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3iec n GLY 336 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iec s TYR 337 N -2.00 2.65 0.19 1.61 2.02 0.03 -4.95 117.35 116.89 3iec s TYR 337 Ca 0.00 0.83 0.08 0.00 -0.37 0.00 0.00 57.07 57.61 3iec s TYR 337 Cb 0.00 -3.42 -0.04 0.00 -0.40 0.00 0.00 41.96 38.10 3iec s TYR 337 CO 0.00 -2.19 -0.06 0.95 -1.57 0.00 0.00 175.55 172.69 3iec s THR 338 N -3.36 3.38 0.45 -0.71 -4.23 -1.26 -4.13 115.64 105.77 3iec s THR 338 Ca 0.63 -1.60 0.12 0.00 -1.18 0.00 0.00 61.69 59.66 3iec s THR 338 Cb -0.14 -2.70 0.22 0.00 1.34 0.00 0.00 72.50 71.23 3iec s THR 338 CO 0.52 -0.13 2.04 0.03 -0.54 0.00 0.00 174.62 176.53 3iec h ARG 339 N 2.76 0.16 -0.07 3.99 3.08 -1.98 -2.07 114.38 120.24 3iec h ARG 339 Ca -0.47 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.38 3iec h ARG 339 Cb 1.21 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.24 3iec h ARG 339 CO 0.56 0.20 -0.69 0.93 -1.07 0.00 0.00 179.97 179.90 3iec h GLU 340 N 0.16 0.59 0.00 0.04 3.07 -1.98 -0.51 114.58 115.95 3iec h GLU 340 Ca 0.04 -0.54 -0.11 0.00 -0.50 0.00 0.00 59.36 58.24 3iec h GLU 340 Cb 0.16 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 3iec h GLU 340 CO 0.01 1.16 -0.52 1.05 -1.40 0.00 0.00 179.01 179.31 3iec h GLU 341 N 0.22 0.00 -0.24 2.33 4.11 -1.92 -0.89 114.58 118.18 3iec h GLU 341 Ca -0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.29 3iec h GLU 341 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 3iec h GLU 341 CO 0.14 0.52 -0.14 0.82 0.07 0.00 0.00 179.01 180.42 3iec h ILE 342 N 0.00 1.31 -0.06 -1.06 2.04 -1.29 -1.61 117.51 116.84 3iec h ILE 342 Ca -0.01 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.62 3iec h ILE 342 Cb 1.09 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 3iec h ILE 342 CO 0.07 0.38 0.03 -0.61 0.00 0.00 0.00 178.15 178.02 3iec h GLN 343 N 0.22 0.09 -0.83 2.37 4.15 -0.80 -1.53 115.11 118.78 3iec h GLN 343 Ca 0.05 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.57 3iec h GLN 343 Cb 0.65 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.25 3iec h GLN 343 CO 0.04 0.14 0.46 0.22 -1.93 0.00 0.00 178.83 177.76 3iec h ASP 344 N 0.01 0.63 -0.32 -0.69 1.82 -1.20 -0.71 116.42 115.97 3iec h ASP 344 Ca 0.02 0.06 -0.11 0.00 -0.39 0.00 0.00 57.03 56.61 3iec h ASP 344 Cb 0.08 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.03 3iec h ASP 344 CO -0.00 0.34 -0.25 0.28 -1.61 0.00 0.00 179.24 177.99 3iec h SER 345 N 0.74 0.77 0.10 2.28 0.02 -1.00 -2.11 113.55 114.35 3iec h SER 345 Ca 0.42 -0.45 -0.18 0.00 -0.84 0.00 0.00 61.79 60.74 3iec h SER 345 Cb 0.45 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.78 3iec h SER 345 CO -0.28 1.05 -0.84 -0.07 -1.14 0.00 0.00 176.83 175.55 3iec h LEU 346 N 0.49 0.33 -0.62 5.07 3.38 -1.12 -1.10 115.31 121.74 3iec h LEU 346 Ca 0.06 -0.91 -0.00 0.00 0.09 0.00 0.00 57.88 57.12 3iec h LEU 346 Cb 0.81 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3iec h LEU 346 CO 0.07 1.38 0.38 0.58 0.09 0.00 0.00 178.44 180.94 3iec h VAL 347 N -0.52 1.18 0.00 1.22 2.07 -1.24 0.31 116.25 119.27 3iec h VAL 347 Ca -0.17 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3iec h VAL 347 Cb 1.53 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3iec h VAL 347 CO 0.08 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.46 3iec n GLY 348 N -1.17 -0.93 3.91 2.17 0.00 -0.79 -4.92 105.19 103.46 3iec n GLY 348 Ca 0.04 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3iec n GLY 348 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iec n GLN 349 N -0.68 -0.68 0.13 1.61 1.13 0.10 -4.83 117.38 114.15 3iec n GLN 349 Ca 0.08 -0.03 0.13 0.00 -1.94 0.00 0.00 57.00 55.24 3iec n GLN 349 Cb 0.04 -2.01 0.35 0.00 0.11 0.00 0.00 30.24 28.72 3iec n GLN 349 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3iec h ARG 350 N -1.04 0.00 -6.81 -1.09 3.08 -1.47 -3.47 114.38 103.58 3iec h ARG 350 Ca -0.50 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 58.99 3iec h ARG 350 Cb 1.01 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.83 3iec h ARG 350 CO 0.44 0.00 -0.84 0.66 -1.07 0.00 0.00 179.97 179.16 3iec n TYR 351 N -2.42 -1.67 -2.01 3.04 4.01 -1.26 -4.83 117.16 112.02 3iec n TYR 351 Ca 0.05 0.79 0.00 0.00 -0.16 0.00 0.00 57.90 58.58 3iec n TYR 351 Cb 0.45 -2.80 0.00 0.00 -0.31 0.00 0.00 39.34 36.68 3iec n TYR 351 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3iec n ASN 352 N -2.63 0.00 -0.03 7.72 0.23 -1.26 -1.26 115.26 118.03 3iec n ASN 352 Ca 0.08 -0.70 -0.01 0.00 -0.53 0.00 0.00 54.58 53.42 3iec n ASN 352 Cb 0.48 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.45 3iec n ASN 352 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3iec h GLU 353 N 0.00 0.58 0.28 -3.83 -0.00 -1.93 -1.97 114.58 107.72 3iec h GLU 353 Ca 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 59.36 59.21 3iec h GLU 353 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 28.67 3iec h GLU 353 CO 0.00 0.61 -0.13 0.28 -0.00 0.00 0.00 179.01 179.77 3iec h VAL 354 N 0.56 0.72 -0.92 -1.06 2.07 -1.95 -1.78 116.25 113.89 3iec h VAL 354 Ca 0.12 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 67.01 3iec h VAL 354 Cb 0.36 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3iec h VAL 354 CO 0.01 0.13 0.58 -0.03 0.02 0.00 0.00 177.57 178.29 3iec h MET 355 N -0.77 1.05 -0.58 1.57 1.85 -1.86 -1.76 114.93 114.43 3iec h MET 355 Ca -0.04 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 58.98 3iec h MET 355 Cb 0.50 -0.24 -0.03 0.00 0.43 0.00 0.00 31.60 32.27 3iec h MET 355 CO 0.06 0.69 0.34 0.00 -0.40 0.00 0.00 176.91 177.61 3iec h ALA 356 N 1.41 0.74 -0.47 0.39 0.00 -1.22 -0.38 119.26 119.73 3iec h ALA 356 Ca 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3iec h ALA 356 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3iec h ALA 356 CO -0.16 0.23 0.23 1.15 0.00 0.00 0.00 179.25 180.71 3iec h THR 357 N 0.78 1.18 -0.35 0.00 2.02 -0.72 -0.08 112.91 115.75 3iec h THR 357 Ca 0.21 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.89 3iec h THR 357 Cb -0.00 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3iec h THR 357 CO -0.04 0.20 0.22 0.22 0.37 0.00 0.00 175.52 176.49 3iec h TYR 358 N 0.62 0.42 -0.59 3.16 3.20 -0.67 -0.39 116.97 122.72 3iec h TYR 358 Ca 0.16 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 3iec h TYR 358 Cb 0.10 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3iec h TYR 358 CO -0.01 0.25 0.05 -0.07 -1.64 0.00 0.00 178.16 176.75 3iec h LEU 359 N 0.45 0.97 -0.72 2.82 3.38 -0.89 -3.05 115.31 118.27 3iec h LEU 359 Ca 0.13 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 3iec h LEU 359 Cb -0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3iec h LEU 359 CO -0.05 1.01 -0.55 -0.07 0.09 0.00 0.00 178.44 178.87 3iec h LEU 360 N 0.89 0.27 -2.19 1.67 3.38 -0.76 -0.75 115.31 117.82 3iec h LEU 360 Ca 0.17 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3iec h LEU 360 Cb 0.48 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3iec h LEU 360 CO 0.02 0.77 0.00 -0.07 0.09 0.00 0.00 178.44 179.25 3iec h LEU 361 N 0.19 0.00 -3.75 1.67 3.38 -0.97 -3.21 115.31 112.61 3iec h LEU 361 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 3iec h LEU 361 Cb 1.03 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 3iec h LEU 361 CO 0.09 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 179.21 3iec n GLY 362 N -0.91 3.30 0.00 0.83 0.00 -0.29 -5.03 105.19 103.09 3iec n GLY 362 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3iec n GLY 362 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60