#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ofx s MET 24 N 0.00 0.32 0.10 -0.41 1.75 -1.26 -5.14 119.30 114.67 2ofx s MET 24 Ca 0.00 0.77 -0.31 0.00 -1.25 0.00 0.00 55.69 54.91 2ofx s MET 24 Cb 0.00 0.46 -0.09 0.00 2.84 0.00 0.00 34.83 38.04 2ofx s MET 24 CO 0.00 -0.16 1.73 0.00 -0.65 0.00 0.00 175.02 175.95 2ofx s ALA 25 N 2.58 3.73 0.18 4.11 0.00 -1.26 -5.00 121.76 126.10 2ofx s ALA 25 Ca -0.01 1.33 0.09 0.00 0.00 0.00 0.00 51.96 53.36 2ofx s ALA 25 Cb -0.08 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 2ofx s ALA 25 CO -0.17 -1.14 -0.18 0.95 0.00 0.00 0.00 175.76 175.22 2ofx s THR 26 N 2.60 1.84 -1.42 0.00 -4.23 -1.26 -4.77 115.64 108.41 2ofx s THR 26 Ca 0.77 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 59.18 2ofx s THR 26 Cb -0.43 -1.92 0.06 0.00 1.34 0.00 0.00 72.50 71.55 2ofx s THR 26 CO 0.34 -0.38 0.64 0.59 -0.54 0.00 0.00 174.62 175.26 2ofx n ASN 27 N 0.09 -4.69 -4.81 3.99 3.02 -1.26 -4.96 115.26 106.65 2ofx n ASN 27 Ca -0.12 -0.44 -0.34 0.00 -0.03 0.00 0.00 54.58 53.65 2ofx n ASN 27 Cb 0.58 -3.81 -0.07 0.00 -0.61 0.00 0.00 39.78 35.87 2ofx n ASN 27 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2ofx s VAL 28 N -3.08 4.94 -0.12 2.41 -7.23 -1.26 -5.11 120.40 110.95 2ofx s VAL 28 Ca 0.43 -0.20 0.01 0.00 -1.81 0.00 0.00 61.98 60.41 2ofx s VAL 28 Cb -0.21 -3.21 0.02 0.00 0.56 0.00 0.00 36.38 33.53 2ofx s VAL 28 CO 0.53 0.45 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.75 2ofx s THR 29 N -1.12 1.44 0.14 5.32 2.01 -1.26 -5.11 115.64 117.05 2ofx s THR 29 Ca 0.20 -0.59 -0.34 0.00 0.31 0.00 0.00 61.69 61.27 2ofx s THR 29 Cb -0.12 -1.34 -0.17 0.00 0.01 0.00 0.00 72.50 70.89 2ofx s THR 29 CO 0.10 0.43 1.13 0.00 -0.69 0.00 0.00 174.62 175.60 2ofx n TYR 30 N 4.43 1.12 -4.08 4.92 9.36 -1.26 -4.98 117.16 126.67 2ofx n TYR 30 Ca -0.18 0.74 -0.32 0.00 3.32 0.00 0.00 57.90 61.46 2ofx n TYR 30 Cb 0.51 -2.24 -0.15 0.00 -0.63 0.00 0.00 39.34 36.82 2ofx n TYR 30 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 2ofx s GLN 31 N -0.22 2.47 0.32 2.98 -1.52 -1.26 -5.10 119.66 117.33 2ofx s GLN 31 Ca 0.77 -1.16 -0.28 0.00 -1.95 0.00 0.00 55.36 52.75 2ofx s GLN 31 Cb -0.93 -2.76 -0.09 0.00 -0.22 0.00 0.00 33.01 29.00 2ofx s GLN 31 CO 0.52 -0.45 1.10 0.00 -0.25 0.00 0.00 175.29 176.21 2ofx s ALA 32 N 1.18 3.31 0.89 6.09 0.00 -1.26 -5.03 121.76 126.94 2ofx s ALA 32 Ca -0.04 0.87 -0.12 0.00 0.00 0.00 0.00 51.96 52.67 2ofx s ALA 32 Cb -0.18 -3.32 0.13 0.00 0.00 0.00 0.00 23.12 19.75 2ofx s ALA 32 CO -0.08 -0.22 1.09 -1.01 0.00 0.00 0.00 175.76 175.54 2ofx s HIS 33 N -1.30 2.35 -0.21 0.00 3.76 -1.26 -4.99 115.29 113.64 2ofx s HIS 33 Ca 0.49 1.23 0.14 0.00 -0.15 0.00 0.00 55.06 56.77 2ofx s HIS 33 Cb -0.30 -3.17 0.47 0.00 1.11 0.00 0.00 32.58 30.70 2ofx s HIS 33 CO 0.38 -2.37 1.38 0.72 -0.85 0.00 0.00 174.74 173.99 2ofx n HIS 34 N -3.86 0.77 -4.57 1.40 8.25 -1.26 -4.96 115.22 110.99 2ofx n HIS 34 Ca 0.07 -1.15 -0.22 0.00 -0.26 0.00 0.00 57.72 56.16 2ofx n HIS 34 Cb 0.55 -0.34 -0.15 0.00 1.12 0.00 0.00 29.99 31.18 2ofx n HIS 34 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2ofx s VAL 35 N -2.99 1.00 0.59 1.59 -7.23 -1.26 -5.14 120.40 106.96 2ofx s VAL 35 Ca 0.41 -0.53 -0.06 0.00 -1.81 0.00 0.00 61.98 59.99 2ofx s VAL 35 Cb 0.35 -0.85 0.01 0.00 0.56 0.00 0.00 36.38 36.45 2ofx s VAL 35 CO 0.04 0.29 0.90 -0.94 -0.31 0.00 0.00 175.10 175.08 2ofx s SER 36 N -0.18 5.62 0.18 4.85 1.04 -1.26 -4.93 113.70 119.02 2ofx s SER 36 Ca 0.03 0.73 -0.12 0.00 0.48 0.00 0.00 55.95 57.08 2ofx s SER 36 Cb -0.06 -1.74 0.08 0.00 0.10 0.00 0.00 66.02 64.40 2ofx s SER 36 CO -0.00 -1.05 1.73 -0.09 0.98 0.00 0.00 173.24 174.81 2ofx h ARG 37 N -0.17 0.92 -0.80 4.02 2.43 -1.99 -1.05 114.38 117.74 2ofx h ARG 37 Ca -0.45 -0.17 0.08 0.00 -0.81 0.00 0.00 59.98 58.63 2ofx h ARG 37 Cb 1.25 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.59 2ofx h ARG 37 CO 0.61 0.78 0.46 -0.91 -1.51 0.00 0.00 179.97 179.40 2ofx h ASN 38 N 0.85 0.68 -0.05 -3.80 2.35 -1.99 0.17 115.58 113.79 2ofx h ASN 38 Ca 0.20 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.85 2ofx h ASN 38 Cb 0.21 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2ofx h ASN 38 CO -0.02 0.40 -0.43 0.50 -1.65 0.00 0.00 177.43 176.23 2ofx h LYS 39 N 0.80 0.58 -0.54 0.81 3.64 -1.80 -1.88 116.57 118.18 2ofx h LYS 39 Ca 0.38 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2ofx h LYS 39 Cb 0.30 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2ofx h LYS 39 CO -0.22 0.90 0.24 0.00 -2.27 0.00 0.00 179.45 178.10 2ofx h ARG 40 N 0.47 0.79 -0.98 1.90 3.08 -0.77 -2.46 114.38 116.41 2ofx h ARG 40 Ca 0.03 -0.13 0.22 0.00 0.07 0.00 0.00 59.98 60.18 2ofx h ARG 40 Cb 0.95 -0.14 -0.09 0.00 0.08 0.00 0.00 29.97 30.77 2ofx h ARG 40 CO 0.08 0.66 0.63 0.78 -1.07 0.00 0.00 179.97 181.06 2ofx h GLY 41 N 0.73 1.22 1.86 0.04 0.00 -0.14 -0.56 103.07 106.23 2ofx h GLY 41 Ca 0.18 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 2ofx h GLY 41 CO -0.02 -0.06 -0.64 1.46 0.00 0.00 0.00 176.54 177.28 2ofx h GLN 42 N 0.49 0.14 0.03 4.80 4.20 -0.90 -3.30 115.11 120.57 2ofx h GLN 42 Ca 0.54 -0.10 -0.32 0.00 0.06 0.00 0.00 58.65 58.83 2ofx h GLN 42 Cb 1.22 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.97 2ofx h GLN 42 CO -0.27 0.73 -1.88 1.55 -0.67 0.00 0.00 178.83 178.28 2ofx n VAL 43 N -3.82 1.62 -2.74 -0.54 3.14 -0.65 -4.85 118.33 110.50 2ofx n VAL 43 Ca -0.02 -0.76 -0.42 0.00 -2.96 0.00 0.00 64.34 60.18 2ofx n VAL 43 Cb 0.64 -1.16 -0.03 0.00 -1.06 0.00 0.00 33.84 32.23 2ofx n VAL 43 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2ofx s VAL 44 N -2.57 4.75 0.16 1.55 1.01 -0.31 -4.89 120.40 120.11 2ofx s VAL 44 Ca -0.11 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.76 2ofx s VAL 44 Cb 0.07 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2ofx s VAL 44 CO 0.80 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.41 2ofx n GLY 45 N 3.38 -1.74 0.25 4.51 0.00 -1.26 -4.60 105.19 105.73 2ofx n GLY 45 Ca 0.09 -1.36 0.09 0.00 0.00 0.00 0.00 46.02 44.84 2ofx n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ofx n THR 46 N -2.64 0.00 -3.82 2.61 -2.24 -1.26 -4.88 114.28 102.05 2ofx n THR 46 Ca -0.00 -0.23 -0.36 0.00 -2.27 0.00 0.00 64.05 61.19 2ofx n THR 46 Cb 0.29 1.13 -0.11 0.00 -2.10 0.00 0.00 70.33 69.53 2ofx n THR 46 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ofx s ARG 47 N -2.28 3.80 0.32 -0.78 0.52 -1.26 -5.07 118.95 114.20 2ofx s ARG 47 Ca 0.12 -0.41 -0.29 0.00 -0.52 0.00 0.00 55.73 54.63 2ofx s ARG 47 Cb 0.14 -3.34 -0.10 0.00 0.52 0.00 0.00 34.95 32.16 2ofx s ARG 47 CO 0.55 -0.04 1.29 0.20 0.02 0.00 0.00 175.30 177.32 2ofx s GLY 48 N 1.25 2.99 0.00 -3.53 0.00 -1.26 -4.93 107.32 101.84 2ofx s GLY 48 Ca 0.05 1.23 0.00 0.00 0.00 0.00 0.00 44.72 46.00 2ofx s GLY 48 CO 0.04 1.88 0.00 0.61 0.00 0.00 0.00 173.10 175.63 2ofx n GLY 49 N 0.87 3.69 3.71 0.20 0.00 -1.24 -5.04 105.19 107.38 2ofx n GLY 49 Ca 0.00 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2ofx n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ofx s PHE 50 N -1.52 3.53 -0.00 1.61 5.36 -1.26 -4.68 117.98 121.01 2ofx s PHE 50 Ca 0.00 1.52 0.15 0.00 -0.96 0.00 0.00 56.93 57.64 2ofx s PHE 50 Cb 0.00 -3.25 0.25 0.00 -0.34 0.00 0.00 43.02 39.68 2ofx s PHE 50 CO 0.00 -0.56 1.10 2.89 -1.46 0.00 0.00 175.22 177.19 2ofx n ARG 51 N 4.16 0.00 -1.71 10.12 1.85 -1.26 -5.01 116.66 124.81 2ofx n ARG 51 Ca 0.08 -1.59 -0.43 0.00 -1.00 0.00 0.00 57.85 54.91 2ofx n ARG 51 Cb 0.49 -0.21 -0.03 0.00 -1.05 0.00 0.00 32.46 31.66 2ofx n ARG 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ofx n GLY 52 N 0.29 1.25 3.86 2.89 0.00 -1.24 -4.43 105.19 107.82 2ofx n GLY 52 Ca 0.04 0.55 -0.02 0.00 0.00 0.00 0.00 46.02 46.58 2ofx n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ofx s THR 54 N -2.34 1.28 -0.43 0.00 2.01 -0.65 -0.31 115.64 115.21 2ofx s THR 54 Ca 0.21 -0.53 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 2ofx s THR 54 Cb -0.02 -1.18 0.05 0.00 0.01 0.00 0.00 72.50 71.36 2ofx s THR 54 CO 0.04 0.39 0.31 -0.69 -0.69 0.00 0.00 174.62 173.98 2ofx s VAL 55 N 0.89 4.98 -0.53 3.82 1.01 0.16 -0.05 120.40 130.69 2ofx s VAL 55 Ca -0.10 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.79 2ofx s VAL 55 Cb -0.15 -3.88 0.12 0.00 0.00 0.00 0.00 36.38 32.47 2ofx s VAL 55 CO 0.01 -0.41 0.48 0.86 0.00 0.00 0.00 175.10 176.03 2ofx s TRP 56 N 1.61 3.26 0.34 5.22 -0.11 0.10 -0.93 118.94 128.43 2ofx s TRP 56 Ca 0.04 -1.30 -0.22 0.00 1.22 0.00 0.00 56.10 55.84 2ofx s TRP 56 Cb -0.21 -3.71 -0.10 0.00 -1.50 0.00 0.00 33.47 27.95 2ofx s TRP 56 CO 0.07 -0.99 0.87 -0.51 -4.62 0.00 0.00 176.95 171.77 2ofx s LEU 57 N 1.58 4.17 -0.04 5.86 1.43 -0.32 0.29 118.68 131.66 2ofx s LEU 57 Ca 0.03 1.63 -0.09 0.00 -1.03 0.00 0.00 54.13 54.67 2ofx s LEU 57 Cb -0.29 -4.11 0.01 0.00 0.03 0.00 0.00 46.19 41.83 2ofx s LEU 57 CO 0.03 -0.16 0.20 0.28 0.23 0.00 0.00 176.35 176.93 2ofx s THR 58 N -1.83 0.04 0.00 5.49 -1.32 -0.50 -3.88 115.64 113.64 2ofx s THR 58 Ca 0.53 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 2ofx s THR 58 Cb -0.14 -0.41 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 2ofx s THR 58 CO 0.19 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 2ofx n GLY 59 N 2.06 0.87 3.52 6.08 0.00 -0.93 -0.92 105.19 115.87 2ofx n GLY 59 Ca -0.18 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 2ofx n GLY 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ofx n LEU 60 N 0.00 1.76 -4.74 0.99 4.77 -1.26 -4.33 117.00 114.18 2ofx n LEU 60 Ca 0.00 0.59 -0.41 0.00 -0.03 0.00 0.00 56.01 56.15 2ofx n LEU 60 Cb 0.00 -1.29 -0.03 0.00 -2.33 0.00 0.00 43.42 39.77 2ofx n LEU 60 CO 0.00 -2.75 1.10 -0.55 -1.33 0.00 0.00 177.39 173.86 2ofx s SER 61 N -1.62 6.70 0.00 -1.43 0.15 -1.26 -1.95 113.70 114.28 2ofx s SER 61 Ca 0.67 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.92 2ofx s SER 61 Cb -0.33 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.37 2ofx s SER 61 CO 0.56 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2ofx n GLY 62 N 2.50 1.54 0.27 9.45 0.00 -1.26 -4.75 105.19 112.94 2ofx n GLY 62 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.16 2ofx n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ofx h ALA 63 N 0.00 1.84 0.00 4.61 0.00 -1.73 -3.43 119.26 120.55 2ofx h ALA 63 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ofx h ALA 63 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ofx h ALA 63 CO 0.00 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2ofx n GLY 64 N -1.40 1.77 0.41 0.00 0.00 -1.26 -4.60 105.19 100.11 2ofx n GLY 64 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2ofx n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ofx h LYS 65 N 0.00 -0.85 -0.66 1.61 1.57 -1.90 -1.29 116.57 115.05 2ofx h LYS 65 Ca 0.00 0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2ofx h LYS 65 Cb 0.00 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2ofx h LYS 65 CO 0.00 -0.57 0.27 1.15 -0.57 0.00 0.00 179.45 179.73 2ofx h THR 66 N -0.88 1.23 -0.43 -0.16 2.02 -1.97 -0.67 112.91 112.04 2ofx h THR 66 Ca -0.06 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 2ofx h THR 66 Cb 0.74 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2ofx h THR 66 CO 0.02 0.28 0.23 0.74 0.37 0.00 0.00 175.52 177.17 2ofx h THR 67 N 0.95 1.16 -0.28 3.16 2.02 -1.94 -0.09 112.91 117.90 2ofx h THR 67 Ca 0.23 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 2ofx h THR 67 Cb 0.17 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2ofx h THR 67 CO -0.02 0.17 -0.02 0.58 0.37 0.00 0.00 175.52 176.61 2ofx h VAL 68 N 0.56 1.26 -0.18 3.16 2.07 -0.99 -1.99 116.25 120.15 2ofx h VAL 68 Ca 0.15 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2ofx h VAL 68 Cb 0.07 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2ofx h VAL 68 CO -0.02 0.31 0.03 0.77 0.02 0.00 0.00 177.57 178.68 2ofx h SER 69 N 0.29 0.29 -0.58 0.57 4.64 -0.95 0.42 113.55 118.24 2ofx h SER 69 Ca 0.08 -0.26 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 2ofx h SER 69 Cb 0.46 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 2ofx h SER 69 CO 0.02 0.48 0.14 0.24 -0.87 0.00 0.00 176.83 176.84 2ofx h MET 70 N 0.09 0.92 -0.82 4.77 2.86 -1.08 0.70 114.93 122.38 2ofx h MET 70 Ca 0.06 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 2ofx h MET 70 Cb 0.31 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 2ofx h MET 70 CO 0.00 0.85 0.41 0.00 1.06 0.00 0.00 176.91 179.24 2ofx h ALA 71 N 1.03 1.18 -0.35 6.32 0.00 -1.23 -1.61 119.26 124.59 2ofx h ALA 71 Ca 0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2ofx h ALA 71 Cb 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2ofx h ALA 71 CO 0.00 0.63 0.03 1.25 0.00 0.00 0.00 179.25 181.17 2ofx h LEU 72 N 1.15 0.58 -0.53 0.00 5.85 0.13 0.53 115.31 123.03 2ofx h LEU 72 Ca 0.28 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2ofx h LEU 72 Cb 0.09 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2ofx h LEU 72 CO -0.04 0.72 0.35 -0.08 -0.34 0.00 0.00 178.44 179.04 2ofx h GLU 73 N 0.42 0.68 -0.19 1.25 4.81 -0.80 0.12 114.58 120.88 2ofx h GLU 73 Ca 0.10 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2ofx h GLU 73 Cb 0.40 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2ofx h GLU 73 CO 0.01 0.45 0.12 1.49 -0.73 0.00 0.00 179.01 180.35 2ofx h GLU 74 N 0.71 0.25 -0.11 1.92 4.81 -1.19 -1.76 114.58 119.20 2ofx h GLU 74 Ca 0.19 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 2ofx h GLU 74 Cb -0.07 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 2ofx h GLU 74 CO -0.05 0.19 -0.13 -0.92 -0.73 0.00 0.00 179.01 177.37 2ofx h TYR 75 N 0.24 -0.34 -0.34 0.92 3.20 -0.36 0.10 116.97 120.39 2ofx h TYR 75 Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2ofx h TYR 75 Cb -0.00 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2ofx h TYR 75 CO -0.06 -0.20 0.20 -0.07 -1.64 0.00 0.00 178.16 176.40 2ofx h LEU 76 N -0.17 0.40 -0.54 2.82 3.38 -0.69 -0.93 115.31 119.59 2ofx h LEU 76 Ca 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2ofx h LEU 76 Cb 0.29 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2ofx h LEU 76 CO -0.22 0.34 0.28 0.58 0.09 0.00 0.00 178.44 179.52 2ofx h VAL 77 N 0.44 1.19 -0.00 1.22 2.07 -1.22 0.34 116.25 120.29 2ofx h VAL 77 Ca 0.12 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2ofx h VAL 77 Cb 0.01 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2ofx h VAL 77 CO -0.02 0.21 0.01 0.00 0.02 0.00 0.00 177.57 177.78 2ofx n HIS 79 N -3.51 1.58 -1.70 0.00 -0.00 -0.29 -4.93 115.22 106.38 2ofx n HIS 79 Ca -0.03 -0.99 -0.08 0.00 -0.00 0.00 0.00 57.72 56.62 2ofx n HIS 79 Cb 0.08 -0.47 -0.02 0.00 -0.00 0.00 0.00 29.99 29.59 2ofx n HIS 79 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2ofx n GLY 80 N -0.23 0.50 3.09 -1.41 0.00 -0.38 -5.00 105.19 101.77 2ofx n GLY 80 Ca 0.29 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 2ofx n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ofx s ILE 81 N -2.34 2.39 0.32 -0.61 1.01 0.10 -4.23 121.20 117.85 2ofx s ILE 81 Ca 0.00 -1.62 -0.29 0.00 0.00 0.00 0.00 60.65 58.74 2ofx s ILE 81 Cb 0.00 -2.42 -0.11 0.00 0.01 0.00 0.00 42.46 39.94 2ofx s ILE 81 CO 0.00 -0.08 1.47 -2.84 0.00 0.00 0.00 174.94 173.48 2ofx s PRO 82 N 1.13 4.19 0.30 2.79 0.02 -1.26 -3.00 135.00 139.16 2ofx s PRO 82 Ca -0.07 2.45 -0.18 0.00 0.02 0.00 0.00 61.00 63.22 2ofx s PRO 82 Cb -0.20 -3.03 0.02 0.00 0.02 0.00 0.00 34.50 31.31 2ofx s PRO 82 CO -0.04 -0.47 0.69 0.00 -0.33 0.00 0.00 177.00 176.85 2ofx s TYR 84 N -3.61 -0.92 -0.24 0.00 5.04 -0.42 -4.88 117.35 112.31 2ofx s TYR 84 Ca 0.14 1.91 -0.20 0.00 -2.44 0.00 0.00 57.07 56.48 2ofx s TYR 84 Cb -0.05 0.50 -0.02 0.00 0.35 0.00 0.00 41.96 42.74 2ofx s TYR 84 CO 0.09 -0.46 0.60 0.99 -1.34 0.00 0.00 175.55 175.43 2ofx s THR 85 N 1.39 5.01 -0.42 4.34 2.01 -1.26 -0.94 115.64 125.77 2ofx s THR 85 Ca -0.08 1.09 -0.16 0.00 0.31 0.00 0.00 61.69 62.84 2ofx s THR 85 Cb -0.06 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.56 2ofx s THR 85 CO -0.15 0.07 0.38 -0.76 -0.69 0.00 0.00 174.62 173.46 2ofx s LEU 86 N 2.29 4.99 -0.11 4.42 1.43 0.19 -4.97 118.68 126.92 2ofx s LEU 86 Ca 0.26 -0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2ofx s LEU 86 Cb -0.16 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 2ofx s LEU 86 CO 0.09 -0.53 -0.02 -0.62 0.23 0.00 0.00 176.35 175.50 2ofx s ASP 87 N 1.78 5.02 0.19 2.29 -1.08 -1.26 -0.31 116.67 123.30 2ofx s ASP 87 Ca 0.09 0.03 -0.15 0.00 -0.52 0.00 0.00 52.55 52.00 2ofx s ASP 87 Cb -0.18 -1.54 0.18 0.00 -1.46 0.00 0.00 42.92 39.92 2ofx s ASP 87 CO 0.12 0.30 1.65 1.23 0.52 0.00 0.00 175.17 178.98 2ofx h GLY 88 N 5.75 0.40 0.88 2.66 0.00 -1.21 0.39 103.07 111.93 2ofx h GLY 88 Ca -0.43 0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.08 2ofx h GLY 88 CO 0.58 -0.20 0.16 -0.55 0.00 0.00 0.00 176.54 176.52 2ofx h ASP 89 N 0.01 0.24 -0.12 0.19 3.32 -1.95 0.40 116.42 118.51 2ofx h ASP 89 Ca 0.26 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 2ofx h ASP 89 Cb 0.39 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2ofx h ASP 89 CO -0.54 0.18 0.04 0.78 -1.72 0.00 0.00 179.24 177.98 2ofx h ASN 90 N 0.33 0.18 -0.85 6.45 2.35 -1.79 -2.69 115.58 119.55 2ofx h ASN 90 Ca 0.12 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 2ofx h ASN 90 Cb 0.03 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 2ofx h ASN 90 CO -0.08 0.32 0.43 0.40 -1.65 0.00 0.00 177.43 176.85 2ofx h ILE 91 N 0.02 1.26 0.00 2.81 1.08 -0.88 0.84 117.51 122.64 2ofx h ILE 91 Ca 0.04 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 2ofx h ILE 91 Cb 0.21 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 2ofx h ILE 91 CO -0.00 0.31 0.00 0.54 -0.69 0.00 0.00 178.15 178.31 2ofx n ARG 92 N -4.31 0.10 0.00 2.37 1.74 0.12 -0.93 116.66 115.75 2ofx n ARG 92 Ca 0.09 0.23 0.12 0.00 -0.77 0.00 0.00 57.85 57.51 2ofx n ARG 92 Cb 0.13 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.26 2ofx n ARG 92 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2ofx n GLN 93 N -1.38 0.80 0.00 5.56 6.02 0.28 -3.10 117.38 125.55 2ofx n GLN 93 Ca 0.04 -0.56 0.00 0.00 -0.01 0.00 0.00 57.00 56.47 2ofx n GLN 93 Cb 0.12 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.89 2ofx n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ofx n GLY 94 N 1.40 0.89 0.31 1.08 0.00 -0.10 -4.76 105.19 104.01 2ofx n GLY 94 Ca 0.10 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.13 2ofx n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ofx h LEU 95 N 0.00 0.54 -3.39 0.99 5.85 -1.74 -2.23 115.31 115.33 2ofx h LEU 95 Ca 0.00 0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.63 2ofx h LEU 95 Cb 0.00 -0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.92 2ofx h LEU 95 CO 0.00 0.24 0.01 0.59 -0.34 0.00 0.00 178.44 178.94 2ofx n ASN 96 N -4.85 2.90 0.22 1.25 3.02 -0.39 -4.58 115.26 112.83 2ofx n ASN 96 Ca 0.16 -3.60 0.15 0.00 -0.03 0.00 0.00 54.58 51.27 2ofx n ASN 96 Cb 0.41 -0.64 0.69 0.00 -0.61 0.00 0.00 39.78 39.63 2ofx n ASN 96 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2ofx h LYS 97 N 1.18 0.00 -0.76 3.52 2.10 -1.33 -2.69 116.57 118.59 2ofx h LYS 97 Ca 0.21 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.67 2ofx h LYS 97 Cb 1.73 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.95 2ofx h LYS 97 CO 0.42 0.00 0.24 0.27 -2.00 0.00 0.00 179.45 178.39 2ofx n ASN 98 N -2.65 4.84 -4.09 7.07 6.94 -1.26 -4.87 115.26 121.24 2ofx n ASN 98 Ca 0.00 -3.14 -0.24 0.00 -0.02 0.00 0.00 54.58 51.18 2ofx n ASN 98 Cb 0.20 -0.74 -0.16 0.00 -2.36 0.00 0.00 39.78 36.72 2ofx n ASN 98 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2ofx s LEU 99 N -2.84 1.86 0.00 -4.53 1.43 -1.01 -5.14 118.68 108.45 2ofx s LEU 99 Ca 0.53 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 2ofx s LEU 99 Cb 0.42 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.79 2ofx s LEU 99 CO 0.13 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.45 2ofx n GLY 100 N 3.22 1.81 0.00 -3.19 0.00 -1.26 -5.06 105.19 100.71 2ofx n GLY 100 Ca -0.18 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2ofx n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ofx n PHE 101 N 0.00 0.00 -1.05 1.61 3.72 -1.26 -4.13 117.46 116.35 2ofx n PHE 101 Ca 0.00 -0.26 -0.34 0.00 -0.05 0.00 0.00 57.45 56.80 2ofx n PHE 101 Cb 0.00 -0.03 0.11 0.00 -0.94 0.00 0.00 39.48 38.62 2ofx n PHE 101 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2ofx n SER 102 N -0.26 -0.63 -0.14 4.37 3.41 -1.26 -4.70 113.62 114.41 2ofx n SER 102 Ca 0.00 0.51 -0.03 0.00 -0.26 0.00 0.00 58.87 59.08 2ofx n SER 102 Cb 0.29 -1.32 0.05 0.00 -0.26 0.00 0.00 64.21 62.96 2ofx n SER 102 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2ofx h PRO 103 N -0.96 0.16 -0.72 4.33 0.11 -1.98 -0.23 132.00 132.70 2ofx h PRO 103 Ca -0.45 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.79 2ofx h PRO 103 Cb 1.31 -0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.25 2ofx h PRO 103 CO 0.41 0.11 -0.23 1.49 -0.21 0.00 0.00 178.00 179.57 2ofx h GLU 104 N 0.17 -0.04 -0.00 1.05 4.81 -1.98 0.57 114.58 119.15 2ofx h GLU 104 Ca 0.22 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.29 2ofx h GLU 104 Cb 0.31 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2ofx h GLU 104 CO -0.33 -0.02 -0.77 -0.44 -0.73 0.00 0.00 179.01 176.71 2ofx h ASP 105 N -0.04 0.06 0.01 1.04 5.19 -1.58 -1.73 116.42 119.37 2ofx h ASP 105 Ca 0.33 -0.04 -0.14 0.00 -0.62 0.00 0.00 57.03 56.55 2ofx h ASP 105 Cb 0.55 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 2ofx h ASP 105 CO -0.76 0.80 -0.46 0.03 -3.12 0.00 0.00 179.24 175.74 2ofx h ARG 106 N 0.03 0.53 -0.11 3.56 3.08 -0.61 -0.62 114.38 120.25 2ofx h ARG 106 Ca -0.01 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.76 2ofx h ARG 106 Cb 1.36 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 2ofx h ARG 106 CO 0.10 0.88 0.02 1.49 -1.07 0.00 0.00 179.97 181.40 2ofx h GLU 107 N 0.43 0.06 -0.48 0.04 4.81 -0.44 -1.92 114.58 117.09 2ofx h GLU 107 Ca 0.03 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 2ofx h GLU 107 Cb 0.97 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 2ofx h GLU 107 CO 0.09 0.04 -0.02 1.49 -0.73 0.00 0.00 179.01 179.87 2ofx h GLU 108 N 0.06 0.86 -0.19 1.92 4.57 -1.26 -0.17 114.58 120.37 2ofx h GLU 108 Ca 0.05 -0.29 0.05 0.00 -1.18 0.00 0.00 59.36 58.00 2ofx h GLU 108 Cb 0.04 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.49 2ofx h GLU 108 CO -0.06 0.91 -0.28 -0.97 -1.18 0.00 0.00 179.01 177.43 2ofx h ASN 109 N 0.71 -0.90 -0.22 1.04 -1.24 -1.03 0.89 115.58 114.83 2ofx h ASN 109 Ca 0.13 0.14 -0.14 0.00 0.71 0.00 0.00 56.30 57.15 2ofx h ASN 109 Cb 0.54 0.40 -0.01 0.00 0.73 0.00 0.00 38.32 39.98 2ofx h ASN 109 CO 0.03 -0.32 -0.37 0.58 -1.29 0.00 0.00 177.43 176.06 2ofx h VAL 110 N -0.32 1.28 -0.41 2.57 2.07 -1.22 -2.20 116.25 118.02 2ofx h VAL 110 Ca 0.12 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 2ofx h VAL 110 Cb 0.51 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2ofx h VAL 110 CO -0.37 0.50 0.22 -0.09 0.02 0.00 0.00 177.57 177.85 2ofx h ARG 111 N 0.62 0.57 -0.44 1.57 2.43 -0.67 0.16 114.38 118.62 2ofx h ARG 111 Ca 0.06 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2ofx h ARG 111 Cb 0.91 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 2ofx h ARG 111 CO 0.08 0.45 0.11 0.00 -1.51 0.00 0.00 179.97 179.10 2ofx h ARG 112 N 0.53 0.70 -0.03 0.20 3.08 -0.75 -2.28 114.38 115.83 2ofx h ARG 112 Ca 0.14 -0.17 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 2ofx h ARG 112 Cb 0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2ofx h ARG 112 CO -0.02 0.70 -0.68 0.97 -1.07 0.00 0.00 179.97 179.87 2ofx h ILE 113 N 0.57 1.45 -0.94 2.04 6.09 -1.14 -1.02 117.51 124.56 2ofx h ILE 113 Ca 0.14 -2.23 0.02 0.00 -1.37 0.00 0.00 64.86 61.41 2ofx h ILE 113 Cb 0.32 2.19 -0.05 0.00 0.47 0.00 0.00 36.82 39.74 2ofx h ILE 113 CO 0.00 0.65 0.62 0.00 -3.07 0.00 0.00 178.15 176.35 2ofx h ALA 114 N 1.22 1.35 -0.17 0.18 0.00 -0.58 0.66 119.26 121.91 2ofx h ALA 114 Ca -0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2ofx h ALA 114 Cb 1.21 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2ofx h ALA 114 CO 0.10 0.59 -0.26 0.93 0.00 0.00 0.00 179.25 180.61 2ofx h GLU 115 N 1.25 0.48 -0.08 0.00 4.39 -0.84 -1.37 114.58 118.41 2ofx h GLU 115 Ca 0.35 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 59.78 2ofx h GLU 115 Cb -0.11 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2ofx h GLU 115 CO -0.08 0.88 -0.02 0.28 -1.16 0.00 0.00 179.01 178.91 2ofx h VAL 116 N 0.13 0.92 -0.99 3.13 2.07 -0.87 -2.01 116.25 118.63 2ofx h VAL 116 Ca 0.02 -0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.65 2ofx h VAL 116 Cb 0.83 0.92 -0.08 0.00 -1.52 0.00 0.00 31.29 31.44 2ofx h VAL 116 CO 0.06 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.28 2ofx h ALA 117 N 1.08 1.54 -0.75 1.67 0.00 0.43 0.63 119.26 123.87 2ofx h ALA 117 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2ofx h ALA 117 Cb 0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2ofx h ALA 117 CO -0.08 0.23 0.41 -0.22 0.00 0.00 0.00 179.25 179.58 2ofx h LYS 118 N 0.99 1.04 0.19 0.00 3.64 -0.91 -0.56 116.57 120.96 2ofx h LYS 118 Ca 0.48 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2ofx h LYS 118 Cb 0.47 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2ofx h LYS 118 CO -0.24 0.76 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.54 2ofx h LEU 119 N 1.05 -0.22 -0.49 5.20 3.38 -0.19 0.67 115.31 124.70 2ofx h LEU 119 Ca 0.27 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.25 2ofx h LEU 119 Cb 0.03 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2ofx h LEU 119 CO -0.04 -0.10 0.19 -0.26 0.09 0.00 0.00 178.44 178.32 2ofx h PHE 120 N -0.32 0.34 -0.22 1.13 -1.00 -0.84 0.24 116.94 116.27 2ofx h PHE 120 Ca -0.03 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2ofx h PHE 120 Cb 0.25 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 2ofx h PHE 120 CO -0.04 0.13 0.11 0.00 -1.61 0.00 0.00 178.31 176.89 2ofx h ALA 121 N 1.31 0.28 -0.84 2.45 0.00 -1.08 -1.60 119.26 119.78 2ofx h ALA 121 Ca 0.23 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2ofx h ALA 121 Cb 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2ofx h ALA 121 CO -0.22 -0.17 0.55 0.22 0.00 0.00 0.00 179.25 179.62 2ofx h ASP 122 N 0.23 0.76 0.62 0.00 3.58 -0.39 -0.89 116.42 120.33 2ofx h ASP 122 Ca 0.08 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2ofx h ASP 122 Cb 0.10 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2ofx h ASP 122 CO -0.01 0.47 0.00 0.00 -2.88 0.00 0.00 179.24 176.82 2ofx h ALA 123 N 1.56 1.00 0.00 -0.78 0.00 -0.57 -3.46 119.26 117.01 2ofx h ALA 123 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2ofx h ALA 123 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ofx h ALA 123 CO -0.15 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.51 2ofx n GLY 124 N -0.40 1.04 3.89 0.00 0.00 -0.34 -4.88 105.19 104.50 2ofx n GLY 124 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2ofx n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ofx s LEU 125 N 0.00 4.13 -0.43 0.99 1.02 -0.64 -3.59 118.68 120.16 2ofx s LEU 125 Ca 0.00 0.81 -0.28 0.00 0.02 0.00 0.00 54.13 54.68 2ofx s LEU 125 Cb 0.00 -3.59 0.03 0.00 0.02 0.00 0.00 46.19 42.65 2ofx s LEU 125 CO 0.00 -0.11 1.07 -0.69 0.02 0.00 0.00 176.35 176.64 2ofx s VAL 126 N -1.91 4.35 -0.17 -1.59 1.01 -0.83 -2.72 120.40 118.53 2ofx s VAL 126 Ca 0.45 1.27 -0.17 0.00 0.00 0.00 0.00 61.98 63.54 2ofx s VAL 126 Cb -0.11 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 2ofx s VAL 126 CO 0.25 -0.82 0.42 0.00 0.00 0.00 0.00 175.10 174.95 2ofx s ILE 128 N 1.07 2.57 -0.15 0.00 1.01 -0.12 0.41 121.20 125.99 2ofx s ILE 128 Ca 0.21 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 60.03 2ofx s ILE 128 Cb -0.15 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2ofx s ILE 128 CO 0.08 0.48 -0.01 0.42 0.00 0.00 0.00 174.94 175.91 2ofx s THR 129 N 1.36 4.18 -0.63 2.92 -4.23 -0.11 0.57 115.64 119.70 2ofx s THR 129 Ca 0.05 -0.26 0.05 0.00 -1.18 0.00 0.00 61.69 60.34 2ofx s THR 129 Cb -0.14 -2.83 0.16 0.00 1.34 0.00 0.00 72.50 71.04 2ofx s THR 129 CO -0.09 0.51 0.44 -0.94 -0.54 0.00 0.00 174.62 174.00 2ofx s SER 130 N 0.09 4.25 0.07 3.99 1.04 0.58 -1.17 113.70 122.55 2ofx s SER 130 Ca 0.01 -3.61 0.08 0.00 0.48 0.00 0.00 55.95 52.91 2ofx s SER 130 Cb -0.13 -1.44 -0.03 0.00 0.10 0.00 0.00 66.02 64.51 2ofx s SER 130 CO 0.02 -0.12 -0.19 -0.36 0.98 0.00 0.00 173.24 173.57 2ofx s PHE 131 N -1.05 2.52 0.23 5.02 0.08 -1.25 -0.55 117.98 122.99 2ofx s PHE 131 Ca 0.25 -0.27 -0.11 0.00 0.12 0.00 0.00 56.93 56.92 2ofx s PHE 131 Cb -0.06 -1.41 0.33 0.00 -0.57 0.00 0.00 43.02 41.30 2ofx s PHE 131 CO -0.15 0.29 1.61 0.82 -0.10 0.00 0.00 175.22 177.69 2ofx h ILE 132 N 3.85 0.29 -6.62 0.64 2.04 -1.85 -3.36 117.51 112.49 2ofx h ILE 132 Ca -0.48 -0.01 -0.45 0.00 1.00 0.00 0.00 64.86 64.92 2ofx h ILE 132 Cb 1.16 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2ofx h ILE 132 CO 0.46 0.00 -0.98 -1.54 0.00 0.00 0.00 178.15 176.10 2ofx n SER 133 N -5.45 -4.14 0.06 1.72 3.41 -1.26 -2.19 113.62 105.76 2ofx n SER 133 Ca 0.11 -0.91 0.13 0.00 -0.26 0.00 0.00 58.87 57.94 2ofx n SER 133 Cb 0.40 -1.40 0.49 0.00 -0.26 0.00 0.00 64.21 63.44 2ofx n SER 133 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2ofx n PRO 134 N -2.65 0.13 -3.91 4.33 -0.04 -1.26 -4.73 135.00 126.88 2ofx n PRO 134 Ca -0.27 0.16 -0.35 0.00 -0.04 0.00 0.00 63.50 63.00 2ofx n PRO 134 Cb 0.60 -1.67 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 2ofx n PRO 134 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2ofx s TYR 135 N -3.08 2.97 0.18 0.54 2.02 -1.26 0.28 117.35 119.00 2ofx s TYR 135 Ca 0.11 -0.99 -0.24 0.00 -0.37 0.00 0.00 57.07 55.57 2ofx s TYR 135 Cb 0.14 -2.11 0.07 0.00 -0.40 0.00 0.00 41.96 39.67 2ofx s TYR 135 CO 0.52 -0.57 1.57 1.15 -1.57 0.00 0.00 175.55 176.65 2ofx h THR 136 N 5.75 0.08 -0.93 -0.71 2.02 -1.86 -1.45 112.91 115.82 2ofx h THR 136 Ca -0.41 0.00 0.13 0.00 0.77 0.00 0.00 66.41 66.90 2ofx h THR 136 Cb 1.15 0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 67.57 2ofx h THR 136 CO 0.60 0.00 0.59 0.06 0.37 0.00 0.00 175.52 177.14 2ofx h GLN 137 N -0.18 0.79 0.02 6.66 -0.00 -1.98 0.14 115.11 120.56 2ofx h GLN 137 Ca 0.21 -0.05 -0.21 0.00 -0.00 0.00 0.00 58.65 58.60 2ofx h GLN 137 Cb 0.56 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.48 27.85 2ofx h GLN 137 CO -0.74 0.52 -0.94 -0.44 -0.00 0.00 0.00 178.83 177.24 2ofx h ASP 138 N 0.82 0.28 -0.07 0.06 3.32 -1.72 0.24 116.42 119.35 2ofx h ASP 138 Ca 0.46 -0.24 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 2ofx h ASP 138 Cb 0.60 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2ofx h ASP 138 CO -0.22 1.07 -0.46 0.03 -1.72 0.00 0.00 179.24 177.94 2ofx h ARG 139 N 0.11 0.62 -0.48 3.56 3.08 -0.45 -1.46 114.38 119.36 2ofx h ARG 139 Ca -0.06 -0.34 -0.11 0.00 0.07 0.00 0.00 59.98 59.54 2ofx h ARG 139 Cb 1.59 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.64 2ofx h ARG 139 CO 0.14 0.95 -0.15 -0.91 -1.07 0.00 0.00 179.97 178.93 2ofx h ASN 140 N 0.50 0.92 -0.51 7.04 -0.26 -0.71 -1.56 115.58 121.00 2ofx h ASN 140 Ca 0.03 -0.31 -0.01 0.00 -0.56 0.00 0.00 56.30 55.45 2ofx h ASN 140 Cb 0.99 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.97 2ofx h ASN 140 CO 0.09 1.06 0.26 0.78 -1.06 0.00 0.00 177.43 178.56 2ofx h ASN 141 N 0.81 0.65 -0.66 5.81 2.35 -0.73 -0.04 115.58 123.77 2ofx h ASN 141 Ca 0.12 -0.11 0.06 0.00 -0.55 0.00 0.00 56.30 55.82 2ofx h ASN 141 Cb 0.69 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.84 2ofx h ASN 141 CO 0.05 0.58 0.36 0.00 -1.65 0.00 0.00 177.43 176.77 2ofx h ALA 142 N 1.10 0.88 -0.36 -0.83 0.00 -1.19 -1.63 119.26 117.24 2ofx h ALA 142 Ca 0.18 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2ofx h ALA 142 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2ofx h ALA 142 CO -0.03 0.03 0.14 -0.09 0.00 0.00 0.00 179.25 179.30 2ofx h ARG 143 N 0.66 0.54 -0.25 0.00 2.43 -0.75 -2.83 114.38 114.18 2ofx h ARG 143 Ca 0.30 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 2ofx h ARG 143 Cb 0.20 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2ofx h ARG 143 CO -0.19 0.53 -0.34 1.96 -1.51 0.00 0.00 179.97 180.42 2ofx h GLN 144 N 0.43 0.54 -0.79 0.20 4.20 -0.68 0.38 115.11 119.38 2ofx h GLN 144 Ca 0.12 -0.24 0.12 0.00 0.06 0.00 0.00 58.65 58.70 2ofx h GLN 144 Cb 0.20 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.88 2ofx h GLN 144 CO -0.01 0.81 0.40 0.82 -0.67 0.00 0.00 178.83 180.18 2ofx h ILE 145 N 0.46 0.79 -0.01 2.54 2.04 -1.24 0.88 117.51 122.97 2ofx h ILE 145 Ca 0.05 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2ofx h ILE 145 Cb 0.81 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2ofx h ILE 145 CO 0.07 0.11 -0.04 0.45 0.00 0.00 0.00 178.15 178.74 2ofx h HIS 146 N 0.63 0.05 -0.82 1.37 3.86 -0.94 -2.93 115.15 116.37 2ofx h HIS 146 Ca 0.41 -0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.72 2ofx h HIS 146 Cb 0.51 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 28.89 2ofx h HIS 146 CO -0.10 0.71 0.44 0.93 0.86 0.00 0.00 177.93 180.77 2ofx h GLU 147 N -0.62 0.65 -0.16 2.45 5.08 -0.16 -0.40 114.58 121.42 2ofx h GLU 147 Ca -0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2ofx h GLU 147 Cb 0.72 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2ofx h GLU 147 CO 0.01 0.43 -0.10 0.78 -1.00 0.00 0.00 179.01 179.13 2ofx h GLY 148 N 0.67 0.26 -0.47 -3.84 0.00 -0.86 -1.38 103.07 97.46 2ofx h GLY 148 Ca 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2ofx h GLY 148 CO -0.31 0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.37 2ofx n ALA 149 N -2.49 2.54 -3.21 3.60 0.00 -0.51 -4.94 120.51 115.50 2ofx n ALA 149 Ca -0.01 -0.42 -0.23 0.00 0.00 0.00 0.00 53.44 52.78 2ofx n ALA 149 Cb 0.25 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.58 2ofx n ALA 149 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ofx n SER 150 N 0.04 -5.50 -4.51 0.00 7.64 -0.52 -4.99 113.62 105.78 2ofx n SER 150 Ca 0.16 -0.36 -0.35 0.00 1.01 0.00 0.00 58.87 59.32 2ofx n SER 150 Cb 0.26 -4.44 -0.12 0.00 -1.01 0.00 0.00 64.21 58.90 2ofx n SER 150 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2ofx s LEU 151 N -6.74 3.53 0.48 -3.43 1.43 -0.28 -5.01 118.68 108.67 2ofx s LEU 151 Ca 0.37 -0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.13 2ofx s LEU 151 Cb -0.18 -1.92 -0.07 0.00 0.03 0.00 0.00 46.19 44.05 2ofx s LEU 151 CO 0.46 0.06 1.43 -2.84 0.23 0.00 0.00 176.35 175.69 2ofx s PRO 152 N 1.04 3.54 -0.05 1.29 0.02 -1.26 -3.81 135.00 135.77 2ofx s PRO 152 Ca 0.04 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 63.46 2ofx s PRO 152 Cb -0.14 -2.56 0.03 0.00 0.02 0.00 0.00 34.50 31.84 2ofx s PRO 152 CO 0.03 -0.94 0.01 0.12 -0.33 0.00 0.00 177.00 175.89 2ofx s PHE 153 N -1.21 0.43 -0.25 6.54 5.36 -1.26 -1.64 117.98 125.95 2ofx s PHE 153 Ca 0.64 -0.02 0.03 0.00 -0.96 0.00 0.00 56.93 56.61 2ofx s PHE 153 Cb -0.44 -0.61 0.06 0.00 -0.34 0.00 0.00 43.02 41.69 2ofx s PHE 153 CO 0.55 -0.23 -0.12 -0.06 -1.46 0.00 0.00 175.22 173.91 2ofx s PHE 154 N 1.68 3.23 -0.27 10.12 0.08 0.92 -4.97 117.98 128.77 2ofx s PHE 154 Ca -0.00 -2.27 -0.27 0.00 0.12 0.00 0.00 56.93 54.51 2ofx s PHE 154 Cb -0.13 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 2ofx s PHE 154 CO -0.03 -0.87 0.94 -2.00 -0.10 0.00 0.00 175.22 173.15 2ofx s GLU 155 N 1.12 4.12 -0.24 0.44 2.12 -1.26 0.01 118.70 125.01 2ofx s GLU 155 Ca -0.08 1.00 -0.03 0.00 0.36 0.00 0.00 54.97 56.23 2ofx s GLU 155 Cb -0.19 -3.69 0.02 0.00 0.26 0.00 0.00 34.13 30.53 2ofx s GLU 155 CO -0.06 -0.68 -0.05 0.08 -0.54 0.00 0.00 175.26 174.01 2ofx s VAL 156 N 3.17 3.06 -0.51 3.70 1.01 0.15 -0.43 120.40 130.55 2ofx s VAL 156 Ca 0.39 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 2ofx s VAL 156 Cb -0.14 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.76 2ofx s VAL 156 CO 0.10 0.25 1.01 0.12 0.00 0.00 0.00 175.10 176.59 2ofx s PHE 157 N 1.38 2.81 -0.63 5.22 5.36 0.86 -1.41 117.98 131.57 2ofx s PHE 157 Ca 0.02 0.34 -0.25 0.00 -0.96 0.00 0.00 56.93 56.08 2ofx s PHE 157 Cb -0.16 -4.17 0.04 0.00 -0.34 0.00 0.00 43.02 38.39 2ofx s PHE 157 CO -0.04 -1.28 1.08 0.08 -1.46 0.00 0.00 175.22 173.60 2ofx s VAL 158 N 4.13 4.14 -0.39 3.12 1.01 -0.10 0.28 120.40 132.58 2ofx s VAL 158 Ca 0.38 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.61 2ofx s VAL 158 Cb -0.10 -4.71 0.11 0.00 0.00 0.00 0.00 36.38 31.69 2ofx s VAL 158 CO 0.25 -1.43 0.17 -0.62 0.00 0.00 0.00 175.10 173.47 2ofx s ASP 159 N 3.30 5.15 -0.01 3.32 2.15 0.15 -4.36 116.67 126.37 2ofx s ASP 159 Ca 0.32 -2.05 0.06 0.00 0.43 0.00 0.00 52.55 51.31 2ofx s ASP 159 Cb -0.12 -1.79 -0.02 0.00 -0.30 0.00 0.00 42.92 40.70 2ofx s ASP 159 CO 0.17 -0.51 -0.20 0.00 -0.17 0.00 0.00 175.17 174.46 2ofx s ALA 160 N 1.09 1.65 0.27 3.66 0.00 -1.26 -2.76 121.76 124.41 2ofx s ALA 160 Ca 0.09 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.89 2ofx s ALA 160 Cb -0.22 -0.42 -0.14 0.00 0.00 0.00 0.00 23.12 22.34 2ofx s ALA 160 CO -0.05 0.41 1.19 -2.30 0.00 0.00 0.00 175.76 175.01 2ofx n PRO 161 N 2.58 1.67 -0.35 0.00 -0.02 -1.26 -4.74 135.00 132.88 2ofx n PRO 161 Ca -0.15 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 2ofx n PRO 161 Cb 0.53 -2.09 0.32 0.00 -0.02 0.00 0.00 33.50 32.23 2ofx n PRO 161 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ofx h LEU 162 N 2.83 0.79 -1.75 2.45 5.85 -1.99 0.16 115.31 123.64 2ofx h LEU 162 Ca -0.43 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.42 2ofx h LEU 162 Cb 1.31 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 2ofx h LEU 162 CO 0.66 0.28 0.22 1.12 -0.34 0.00 0.00 178.44 180.38 2ofx h HIS 163 N 0.77 0.31 -0.04 1.25 2.07 -1.99 0.69 115.15 118.21 2ofx h HIS 163 Ca 0.58 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 58.07 2ofx h HIS 163 Cb 0.89 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 30.77 2ofx h HIS 163 CO -0.01 0.18 -0.11 0.28 -3.07 0.00 0.00 177.93 175.21 2ofx h VAL 164 N 0.32 1.44 -0.57 6.12 2.07 -1.08 -2.10 116.25 122.46 2ofx h VAL 164 Ca 0.14 -1.48 0.09 0.00 0.82 0.00 0.00 66.70 66.27 2ofx h VAL 164 Cb 0.14 2.32 -0.07 0.00 -1.52 0.00 0.00 31.29 32.16 2ofx h VAL 164 CO -0.03 0.40 0.19 0.00 0.02 0.00 0.00 177.57 178.15 2ofx h GLU 166 N 0.36 0.75 0.11 0.00 5.08 -0.93 -1.76 114.58 118.19 2ofx h GLU 166 Ca 0.28 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2ofx h GLU 166 Cb 0.35 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2ofx h GLU 166 CO -0.30 0.79 -0.13 0.37 -1.00 0.00 0.00 179.01 178.74 2ofx h GLN 167 N 0.70 -0.27 -0.71 2.33 -0.00 -0.55 -1.61 115.11 115.01 2ofx h GLN 167 Ca 0.13 0.02 0.10 0.00 -0.00 0.00 0.00 58.65 58.90 2ofx h GLN 167 Cb 0.49 0.06 -0.05 0.00 0.00 0.00 0.00 27.48 27.99 2ofx h GLN 167 CO 0.03 -0.18 0.47 0.00 0.00 0.00 0.00 178.83 179.14 2ofx h ARG 168 N -0.28 0.55 -3.59 1.69 3.08 -0.88 -3.46 114.38 111.49 2ofx h ARG 168 Ca 0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2ofx h ARG 168 Cb 0.28 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2ofx h ARG 168 CO -0.06 0.36 0.00 -3.47 -1.07 0.00 0.00 179.97 175.73 2ofx n ASP 169 N -4.49 0.00 -0.16 7.04 2.03 -0.61 -4.74 116.55 115.63 2ofx n ASP 169 Ca 0.12 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.40 2ofx n ASP 169 Cb 0.36 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.83 2ofx n ASP 169 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2ofx h VAL 170 N 1.15 0.75 -0.30 5.18 2.07 -1.89 -2.82 116.25 120.39 2ofx h VAL 170 Ca 0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2ofx h VAL 170 Cb 0.00 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2ofx h VAL 170 CO 0.00 0.05 0.00 0.29 0.02 0.00 0.00 177.57 177.93 2ofx n LYS 171 N -5.08 3.08 -1.25 1.57 5.02 -1.26 -4.95 118.16 115.29 2ofx n LYS 171 Ca 0.05 -2.79 -0.08 0.00 -2.02 0.00 0.00 58.31 53.46 2ofx n LYS 171 Cb 0.23 -1.82 -0.04 0.00 -0.02 0.00 0.00 35.03 33.38 2ofx n LYS 171 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ofx n GLY 172 N -0.30 0.92 0.18 0.72 0.00 -1.07 -4.90 105.19 100.74 2ofx n GLY 172 Ca 0.21 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 2ofx n GLY 172 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ofx h LEU 173 N 0.00 0.83 -0.55 0.99 3.38 -1.92 -2.32 115.31 115.71 2ofx h LEU 173 Ca -0.17 -0.70 -0.08 0.00 0.09 0.00 0.00 57.88 57.02 2ofx h LEU 173 Cb 0.88 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2ofx h LEU 173 CO 0.25 1.50 0.04 1.88 0.09 0.00 0.00 178.44 182.21 2ofx h TYR 174 N 0.33 1.02 -0.19 1.13 0.05 -1.92 0.33 116.97 117.72 2ofx h TYR 174 Ca -0.14 -0.16 0.02 0.00 0.05 0.00 0.00 58.73 58.49 2ofx h TYR 174 Cb 1.75 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 39.20 2ofx h TYR 174 CO 0.10 0.91 0.07 0.87 -1.05 0.00 0.00 178.16 179.07 2ofx h LYS 175 N 0.82 0.17 -0.57 4.88 1.79 -1.91 0.38 116.57 122.13 2ofx h LYS 175 Ca 0.16 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.66 2ofx h LYS 175 Cb 0.48 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 2ofx h LYS 175 CO 0.02 0.11 0.31 0.87 -1.08 0.00 0.00 179.45 179.68 2ofx h LYS 176 N 0.17 0.59 -0.33 3.15 1.57 -1.07 -1.86 116.57 118.79 2ofx h LYS 176 Ca 0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2ofx h LYS 176 Cb 0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2ofx h LYS 176 CO -0.07 0.39 0.17 0.00 -0.57 0.00 0.00 179.45 179.37 2ofx h ALA 177 N 1.28 0.42 -0.25 3.86 0.00 -0.04 0.36 119.26 124.90 2ofx h ALA 177 Ca 0.24 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2ofx h ALA 177 Cb 0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2ofx h ALA 177 CO -0.14 -0.03 -0.30 0.00 0.00 0.00 0.00 179.25 178.78 2ofx h ARG 178 N 0.40 -0.29 0.00 0.00 3.08 0.00 -1.84 114.38 115.73 2ofx h ARG 178 Ca 0.11 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2ofx h ARG 178 Cb 0.09 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2ofx h ARG 178 CO -0.02 -0.19 0.00 0.00 -1.07 0.00 0.00 179.97 178.69 2ofx n ALA 179 N -2.88 2.34 -1.00 0.04 0.00 -0.72 -4.84 120.51 113.45 2ofx n ALA 179 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2ofx n ALA 179 Cb 0.32 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2ofx n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ofx n GLY 180 N 0.40 0.69 0.12 0.00 0.00 -0.69 -4.91 105.19 100.79 2ofx n GLY 180 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2ofx n GLY 180 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ofx h GLU 181 N 1.76 0.00 -4.76 1.61 4.39 -0.48 -3.40 114.58 113.69 2ofx h GLU 181 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 2ofx h GLU 181 Cb 0.00 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 28.30 2ofx h GLU 181 CO 0.00 0.00 -0.84 0.42 -1.16 0.00 0.00 179.01 177.43 2ofx s ILE 182 N -3.11 1.55 0.38 3.13 1.01 -1.04 -4.89 121.20 118.24 2ofx s ILE 182 Ca 0.10 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.98 2ofx s ILE 182 Cb 0.12 -1.42 -0.07 0.00 0.01 0.00 0.00 42.46 41.10 2ofx s ILE 182 CO 0.61 0.45 0.74 -1.59 0.00 0.00 0.00 174.94 175.15 2ofx s LYS 183 N 1.06 3.79 -1.52 2.79 0.00 -1.26 -4.40 119.74 120.20 2ofx s LYS 183 Ca -0.05 0.45 -0.05 0.00 0.00 0.00 0.00 55.97 56.32 2ofx s LYS 183 Cb -0.15 -2.42 0.01 0.00 0.00 0.00 0.00 37.83 35.27 2ofx s LYS 183 CO -0.03 0.01 0.68 0.41 0.00 0.00 0.00 175.35 176.42 2ofx n GLY 184 N -1.15 -0.51 3.68 0.59 0.00 -1.26 -4.95 105.19 101.60 2ofx n GLY 184 Ca 0.02 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2ofx n GLY 184 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ofx s PHE 185 N -3.20 3.47 0.07 1.61 5.36 -1.26 -4.39 117.98 119.64 2ofx s PHE 185 Ca 0.34 1.42 -0.36 0.00 -0.96 0.00 0.00 56.93 57.36 2ofx s PHE 185 Cb -0.15 -3.09 -0.16 0.00 -0.34 0.00 0.00 43.02 39.28 2ofx s PHE 185 CO 0.42 -0.22 1.41 2.41 -1.46 0.00 0.00 175.22 177.78 2ofx n THR 186 N 4.60 0.03 -0.42 0.12 -1.04 -1.26 0.44 114.28 116.75 2ofx n THR 186 Ca 0.06 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2ofx n THR 186 Cb 0.49 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 2ofx n THR 186 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ofx n GLY 187 N 2.78 1.81 1.21 3.41 0.00 -0.05 -4.74 105.19 109.62 2ofx n GLY 187 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2ofx n GLY 187 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ofx n ILE 188 N -2.00 0.00 -2.00 -0.61 2.08 0.74 -4.91 119.36 112.66 2ofx n ILE 188 Ca 0.00 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.33 2ofx n ILE 188 Cb 0.00 -1.26 0.02 0.00 -0.75 0.00 0.00 39.64 37.64 2ofx n ILE 188 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2ofx n ASP 189 N -2.88 0.40 -3.65 4.38 2.03 0.17 -4.92 116.55 112.08 2ofx n ASP 189 Ca 0.00 -2.13 -0.15 0.00 0.52 0.00 0.00 54.79 53.03 2ofx n ASP 189 Cb 0.39 -0.24 -0.08 0.00 -0.72 0.00 0.00 41.12 40.47 2ofx n ASP 189 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2ofx s SER 190 N -1.37 -0.57 0.42 1.67 0.15 -1.12 -4.05 113.70 108.82 2ofx s SER 190 Ca 0.09 0.93 -0.24 0.00 0.70 0.00 0.00 55.95 57.42 2ofx s SER 190 Cb 0.10 0.92 -0.08 0.00 -1.71 0.00 0.00 66.02 65.25 2ofx s SER 190 CO -0.03 -0.34 1.15 -1.61 1.20 0.00 0.00 173.24 173.62 2ofx s GLU 191 N -0.27 3.99 -0.21 5.44 2.02 -1.26 -0.87 118.70 127.54 2ofx s GLU 191 Ca -0.04 1.78 0.01 0.00 0.02 0.00 0.00 54.97 56.74 2ofx s GLU 191 Cb -0.03 -2.59 0.03 0.00 0.10 0.00 0.00 34.13 31.64 2ofx s GLU 191 CO 0.04 -0.36 -0.16 -0.47 0.02 0.00 0.00 175.26 174.32 2ofx s TYR 192 N -1.48 2.92 -0.51 1.61 5.04 -1.26 -4.65 117.35 119.02 2ofx s TYR 192 Ca 0.59 -1.77 -0.18 0.00 -2.44 0.00 0.00 57.07 53.27 2ofx s TYR 192 Cb -0.29 -1.94 0.06 0.00 0.35 0.00 0.00 41.96 40.14 2ofx s TYR 192 CO 0.36 -0.81 0.60 -1.21 -1.34 0.00 0.00 175.55 173.15 2ofx s GLU 193 N 1.26 3.09 0.16 4.97 2.02 0.14 -5.01 118.70 125.33 2ofx s GLU 193 Ca 0.01 -1.00 -0.34 0.00 0.02 0.00 0.00 54.97 53.66 2ofx s GLU 193 Cb -0.15 -4.12 -0.14 0.00 0.10 0.00 0.00 34.13 29.83 2ofx s GLU 193 CO -0.10 -1.22 1.60 1.17 0.02 0.00 0.00 175.26 176.73 2ofx n LYS 194 N 6.03 2.21 -1.63 1.61 4.81 -1.26 -4.53 118.16 125.39 2ofx n LYS 194 Ca -0.08 0.80 -0.47 0.00 -0.87 0.00 0.00 58.31 57.69 2ofx n LYS 194 Cb 0.45 -2.58 -0.04 0.00 0.02 0.00 0.00 35.03 32.89 2ofx n LYS 194 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2ofx n PRO 195 N 3.60 1.64 -0.02 1.64 -0.02 -1.26 -4.89 135.00 135.70 2ofx n PRO 195 Ca 0.17 0.59 0.06 0.00 -2.02 0.00 0.00 63.50 62.30 2ofx n PRO 195 Cb 0.29 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.46 2ofx n PRO 195 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ofx n GLU 196 N 2.08 0.65 -2.51 -0.52 1.02 -1.26 -4.73 120.64 115.37 2ofx n GLU 196 Ca 0.14 -0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 2ofx n GLU 196 Cb 0.28 -1.39 0.03 0.00 -0.02 0.00 0.00 31.44 30.34 2ofx n GLU 196 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ofx n ALA 197 N -2.14 3.74 -1.72 0.62 0.00 -1.26 -5.10 120.51 114.65 2ofx n ALA 197 Ca -0.06 -3.30 -0.32 0.00 0.00 0.00 0.00 53.44 49.76 2ofx n ALA 197 Cb 0.51 -0.67 0.01 0.00 0.00 0.00 0.00 19.45 19.30 2ofx n ALA 197 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ofx s PRO 198 N -3.63 3.46 0.35 0.00 0.04 -1.26 -4.92 135.00 129.05 2ofx s PRO 198 Ca 0.37 1.02 0.10 0.00 0.04 0.00 0.00 61.00 62.53 2ofx s PRO 198 Cb 0.38 -2.06 0.66 0.00 0.04 0.00 0.00 34.50 33.52 2ofx s PRO 198 CO -0.02 -0.68 1.82 0.93 0.04 0.00 0.00 177.00 179.09 2ofx h GLU 199 N 0.25 0.15 -2.97 4.56 3.07 -1.11 -3.44 114.58 115.09 2ofx h GLU 199 Ca -0.46 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 58.19 2ofx h GLU 199 Cb 1.20 -0.01 -0.26 0.00 -0.84 0.00 0.00 28.75 28.84 2ofx h GLU 199 CO 0.59 0.44 -0.38 -1.17 -1.40 0.00 0.00 179.01 177.10 2ofx s LEU 200 N -8.41 0.70 -0.12 1.33 2.96 -1.05 -5.03 118.68 109.06 2ofx s LEU 200 Ca -0.04 0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 54.48 2ofx s LEU 200 Cb 0.14 1.02 -0.02 0.00 0.50 0.00 0.00 46.19 47.83 2ofx s LEU 200 CO 0.74 -0.12 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.89 2ofx s VAL 201 N 0.44 3.60 -0.26 1.68 1.01 -1.26 -0.10 120.40 125.51 2ofx s VAL 201 Ca -0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 2ofx s VAL 201 Cb -0.04 -2.52 0.04 0.00 0.00 0.00 0.00 36.38 33.85 2ofx s VAL 201 CO -0.02 0.54 -0.06 -0.76 0.00 0.00 0.00 175.10 174.80 2ofx s LEU 202 N -0.05 3.35 -1.14 3.92 1.43 0.14 -4.94 118.68 121.40 2ofx s LEU 202 Ca -0.00 -1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 51.92 2ofx s LEU 202 Cb -0.13 -1.66 0.15 0.00 0.03 0.00 0.00 46.19 44.58 2ofx s LEU 202 CO 0.03 -0.16 1.38 -0.54 0.23 0.00 0.00 176.35 177.29 2ofx s LYS 203 N 1.28 3.95 0.00 1.70 -0.14 -1.26 0.30 119.74 125.57 2ofx s LYS 203 Ca -0.02 -2.29 0.25 0.00 -1.36 0.00 0.00 55.97 52.55 2ofx s LYS 203 Cb -0.18 -5.07 1.38 0.00 -1.68 0.00 0.00 37.83 32.28 2ofx s LYS 203 CO -0.04 -1.82 1.86 0.25 -0.76 0.00 0.00 175.35 174.84 2ofx n THR 204 N 5.04 0.12 0.35 2.17 -2.24 -1.11 -1.94 114.28 116.66 2ofx n THR 204 Ca 0.34 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 62.27 2ofx n THR 204 Cb 0.45 -0.62 0.13 0.00 -2.10 0.00 0.00 70.33 68.19 2ofx n THR 204 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2ofx h ASP 205 N 0.00 0.00 -0.00 3.42 2.03 -1.88 -3.37 116.42 116.62 2ofx h ASP 205 Ca 0.00 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 2ofx h ASP 205 Cb 0.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 2ofx h ASP 205 CO 0.00 0.04 -0.01 -1.54 -1.03 0.00 0.00 179.24 176.70 2ofx n SER 206 N -2.51 0.17 -4.56 4.15 3.41 -0.84 -5.02 113.62 108.41 2ofx n SER 206 Ca 0.02 -0.59 -0.26 0.00 -0.26 0.00 0.00 58.87 57.79 2ofx n SER 206 Cb 0.49 0.84 -0.09 0.00 -0.26 0.00 0.00 64.21 65.20 2ofx n SER 206 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ofx s ASP 208 N -3.10 5.48 0.17 0.00 1.47 -1.26 -4.75 116.67 114.69 2ofx s ASP 208 Ca 0.27 0.31 -0.15 0.00 1.18 0.00 0.00 52.55 54.15 2ofx s ASP 208 Cb -0.08 -1.31 0.13 0.00 -0.34 0.00 0.00 42.92 41.32 2ofx s ASP 208 CO 0.16 -1.03 1.68 0.58 0.68 0.00 0.00 175.17 177.24 2ofx h VAL 209 N 0.05 0.64 -0.28 2.11 2.07 -1.98 -0.80 116.25 118.06 2ofx h VAL 209 Ca -0.44 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 2ofx h VAL 209 Cb 1.27 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2ofx h VAL 209 CO 0.57 0.01 -0.12 0.78 0.02 0.00 0.00 177.57 178.83 2ofx h ASN 210 N 0.07 0.45 -0.64 0.57 4.21 -1.98 0.16 115.58 118.42 2ofx h ASN 210 Ca 0.21 -0.11 -0.05 0.00 1.21 0.00 0.00 56.30 57.57 2ofx h ASN 210 Cb 0.32 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.37 2ofx h ASN 210 CO -0.38 0.60 0.23 0.44 -1.29 0.00 0.00 177.43 177.03 2ofx h ASP 211 N 0.43 0.93 -0.18 5.81 5.19 -1.80 0.26 116.42 127.07 2ofx h ASP 211 Ca 0.08 -0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.32 2ofx h ASP 211 Cb 0.47 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 2ofx h ASP 211 CO 0.03 0.86 0.03 0.00 -3.12 0.00 0.00 179.24 177.03 2ofx h VAL 213 N 0.09 0.71 -0.88 0.00 2.07 -0.62 -1.76 116.25 115.86 2ofx h VAL 213 Ca 0.05 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.60 2ofx h VAL 213 Cb 0.31 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 2ofx h VAL 213 CO 0.00 0.04 0.52 1.56 0.02 0.00 0.00 177.57 179.71 2ofx h GLN 214 N 0.19 0.85 -0.40 1.57 1.08 -0.75 0.14 115.11 117.79 2ofx h GLN 214 Ca 0.23 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.31 2ofx h GLN 214 Cb 0.32 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 2ofx h GLN 214 CO -0.33 0.56 -0.04 1.96 -0.95 0.00 0.00 178.83 180.03 2ofx h GLN 215 N 0.88 0.67 -0.17 1.46 4.20 -0.59 -0.02 115.11 121.53 2ofx h GLN 215 Ca 0.42 -0.18 -0.14 0.00 0.06 0.00 0.00 58.65 58.81 2ofx h GLN 215 Cb 0.36 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2ofx h GLN 215 CO -0.24 0.72 -0.44 0.28 -0.67 0.00 0.00 178.83 178.48 2ofx h VAL 216 N 0.63 1.33 -0.83 -0.54 2.07 -0.39 -2.11 116.25 116.41 2ofx h VAL 216 Ca 0.12 -1.69 0.06 0.00 0.82 0.00 0.00 66.70 66.01 2ofx h VAL 216 Cb 0.46 1.95 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 2ofx h VAL 216 CO 0.02 0.52 0.51 0.58 0.02 0.00 0.00 177.57 179.22 2ofx h VAL 217 N 0.26 1.02 -0.77 2.57 2.07 -0.60 0.10 116.25 120.91 2ofx h VAL 217 Ca -0.01 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2ofx h VAL 217 Cb 1.05 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2ofx h VAL 217 CO 0.10 0.17 0.40 -0.08 0.02 0.00 0.00 177.57 178.17 2ofx h GLU 218 N 0.92 1.10 0.24 1.57 4.22 -0.88 0.19 114.58 121.94 2ofx h GLU 218 Ca 0.37 -0.15 -0.01 0.00 0.08 0.00 0.00 59.36 59.65 2ofx h GLU 218 Cb 0.18 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2ofx h GLU 218 CO -0.18 0.83 -0.13 1.25 -2.18 0.00 0.00 179.01 178.61 2ofx h LEU 219 N 1.08 -0.31 -1.34 1.64 5.85 -0.62 -1.19 115.31 120.42 2ofx h LEU 219 Ca 0.27 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 2ofx h LEU 219 Cb 0.08 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2ofx h LEU 219 CO -0.04 -0.21 0.37 -0.07 -0.34 0.00 0.00 178.44 178.14 2ofx h LEU 220 N -0.35 0.72 -0.53 2.25 3.38 -0.69 -0.84 115.31 119.25 2ofx h LEU 220 Ca -0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2ofx h LEU 220 Cb 0.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2ofx h LEU 220 CO 0.04 0.55 0.20 1.56 0.09 0.00 0.00 178.44 180.88 2ofx h GLN 221 N 0.83 0.80 -0.26 1.13 4.20 -0.54 0.24 115.11 121.52 2ofx h GLN 221 Ca 0.22 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2ofx h GLN 221 Cb -0.04 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 2ofx h GLN 221 CO -0.04 0.71 0.09 0.93 -0.67 0.00 0.00 178.83 179.85 2ofx h GLU 222 N 0.72 0.35 -0.60 1.46 5.08 -0.36 -2.62 114.58 118.62 2ofx h GLU 222 Ca 0.18 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2ofx h GLU 222 Cb 0.22 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2ofx h GLU 222 CO -0.01 0.31 0.00 0.54 -1.00 0.00 0.00 179.01 178.85 2ofx n ARG 223 N -4.42 3.54 -1.93 2.33 5.12 -0.40 -4.95 116.66 115.95 2ofx n ARG 223 Ca 0.01 -2.80 -0.14 0.00 -1.93 0.00 0.00 57.85 52.99 2ofx n ARG 223 Cb 0.13 -1.81 -0.03 0.00 -1.16 0.00 0.00 32.46 29.59 2ofx n ARG 223 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2ofx n ASP 224 N 0.98 -4.47 -0.08 0.55 9.92 -0.69 -4.87 116.55 117.90 2ofx n ASP 224 Ca 0.24 0.13 -0.22 0.00 -0.53 0.00 0.00 54.79 54.41 2ofx n ASP 224 Cb 0.83 -3.46 -0.12 0.00 -0.64 0.00 0.00 41.12 37.73 2ofx n ASP 224 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2ofx n ILE 225 N -3.45 1.60 -3.72 0.53 2.08 0.76 -4.83 119.36 112.33 2ofx n ILE 225 Ca -0.16 -0.43 -0.36 0.00 0.56 0.00 0.00 62.75 62.37 2ofx n ILE 225 Cb 0.56 -1.77 -0.10 0.00 -0.75 0.00 0.00 39.64 37.59 2ofx n ILE 225 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2ofx s VAL 226 N -2.49 5.18 -1.19 1.39 1.01 -0.60 -4.91 120.40 118.79 2ofx s VAL 226 Ca -0.30 0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2ofx s VAL 226 Cb 0.09 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2ofx s VAL 226 CO 0.63 0.36 0.30 -2.65 0.00 0.00 0.00 175.10 173.74