#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mnx s VAL 17 N 0.00 5.11 -0.79 2.52 1.01 0.11 -4.22 120.40 124.15 3mnx s VAL 17 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.84 3mnx s VAL 17 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3mnx s VAL 17 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3mnx n GLY 18 N 2.56 0.36 2.91 4.51 0.00 -1.25 -1.87 105.19 112.41 3mnx n GLY 18 Ca -0.11 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 3mnx n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mnx n GLY 19 N -1.32 0.44 3.24 -0.02 0.00 -1.26 -4.80 105.19 101.47 3mnx n GLY 19 Ca -0.10 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 3mnx n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mnx s THR 20 N -2.36 1.16 -0.04 2.61 -4.23 0.11 -4.91 115.64 107.99 3mnx s THR 20 Ca 0.50 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.75 3mnx s THR 20 Cb -0.03 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 3mnx s THR 20 CO 0.34 -0.68 1.33 -0.70 -0.54 0.00 0.00 174.62 174.36 3mnx s GLU 21 N -3.50 4.30 0.55 3.99 2.12 -1.26 -0.66 118.70 124.24 3mnx s GLU 21 Ca 0.14 1.84 -0.20 0.00 0.36 0.00 0.00 54.97 57.11 3mnx s GLU 21 Cb 0.01 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 3mnx s GLU 21 CO 0.01 -0.55 1.18 0.00 -0.54 0.00 0.00 175.26 175.36 3mnx s ALA 22 N 2.49 2.70 0.54 6.30 0.00 -0.30 -4.87 121.76 128.61 3mnx s ALA 22 Ca 0.60 0.95 -0.21 0.00 0.00 0.00 0.00 51.96 53.30 3mnx s ALA 22 Cb -0.28 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 3mnx s ALA 22 CO 0.24 -0.93 1.21 -0.65 0.00 0.00 0.00 175.76 175.63 3mnx s GLN 23 N -3.17 3.30 0.29 0.00 -1.52 -1.26 -4.89 119.66 112.41 3mnx s GLN 23 Ca 0.73 1.84 0.25 0.00 -1.95 0.00 0.00 55.36 56.23 3mnx s GLN 23 Cb -0.28 -2.14 1.02 0.00 -0.22 0.00 0.00 33.01 31.39 3mnx s GLN 23 CO 0.32 -0.95 1.74 0.07 -0.25 0.00 0.00 175.29 176.23 3mnx h ARG 24 N 1.38 0.00 -0.23 2.91 0.11 -1.99 -2.61 114.38 113.95 3mnx h ARG 24 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 3mnx h ARG 24 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 3mnx h ARG 24 CO 0.57 0.00 0.00 0.27 0.10 0.00 0.00 179.97 180.91 3mnx n ASN 25 N -2.34 3.38 0.07 0.08 6.94 -1.26 -4.72 115.26 117.42 3mnx n ASN 25 Ca 0.02 -2.74 -0.13 0.00 -0.02 0.00 0.00 54.58 51.71 3mnx n ASN 25 Cb 0.24 -0.43 -0.05 0.00 -2.36 0.00 0.00 39.78 37.19 3mnx n ASN 25 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3mnx h SER 26 N 1.54 0.48 -2.09 0.53 0.02 -1.80 -3.40 113.55 108.83 3mnx h SER 26 Ca 0.00 -0.40 -0.56 0.00 -0.84 0.00 0.00 61.79 59.99 3mnx h SER 26 Cb 1.18 -0.15 -0.40 0.00 0.14 0.00 0.00 62.40 63.16 3mnx h SER 26 CO 0.13 1.21 -0.91 0.79 -1.14 0.00 0.00 176.83 176.91 3mnx n TRP 27 N -3.71 1.49 0.90 3.45 7.02 -1.26 -4.95 117.44 120.37 3mnx n TRP 27 Ca -0.06 -3.84 0.10 0.00 -1.02 0.00 0.00 57.50 52.67 3mnx n TRP 27 Cb 0.85 -0.44 0.49 0.00 -2.42 0.00 0.00 31.31 29.79 3mnx n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3mnx n PRO 28 N 0.84 0.24 0.00 -0.99 -0.04 -1.26 -1.99 135.00 131.80 3mnx n PRO 28 Ca 0.26 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 3mnx n PRO 28 Cb 0.50 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.82 3mnx n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mnx n SER 29 N -1.32 0.93 -4.74 3.54 3.41 -1.23 -1.87 113.62 112.34 3mnx n SER 29 Ca 0.09 -0.79 -0.41 0.00 -0.26 0.00 0.00 58.87 57.50 3mnx n SER 29 Cb 0.17 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3mnx n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3mnx s GLN 30 N -2.57 4.41 0.22 4.33 2.00 -0.84 -1.04 119.66 126.17 3mnx s GLN 30 Ca 0.23 2.03 0.10 0.00 -2.00 0.00 0.00 55.36 55.71 3mnx s GLN 30 Cb 0.19 -3.19 -0.05 0.00 0.80 0.00 0.00 33.01 30.76 3mnx s GLN 30 CO 0.54 -0.21 -0.18 0.96 -0.50 0.00 0.00 175.29 175.90 3mnx s ILE 31 N -0.05 2.11 -0.21 -2.34 -5.25 -0.59 -4.49 121.20 110.39 3mnx s ILE 31 Ca 0.55 -2.21 -0.06 0.00 -0.99 0.00 0.00 60.65 57.94 3mnx s ILE 31 Cb -0.36 -2.11 -0.03 0.00 2.95 0.00 0.00 42.46 42.91 3mnx s ILE 31 CO 0.39 -0.41 0.03 -0.55 -1.79 0.00 0.00 174.94 172.61 3mnx s SER 32 N -3.18 5.04 -0.23 4.36 0.15 -0.65 -2.76 113.70 116.44 3mnx s SER 32 Ca 0.24 -0.15 -0.14 0.00 0.70 0.00 0.00 55.95 56.60 3mnx s SER 32 Cb -0.04 -1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 62.35 3mnx s SER 32 CO 0.10 0.06 0.32 -0.22 1.20 0.00 0.00 173.24 174.70 3mnx s LEU 33 N 1.02 4.12 0.12 3.45 2.96 0.45 -0.85 118.68 129.96 3mnx s LEU 33 Ca 0.03 0.35 0.07 0.00 -0.22 0.00 0.00 54.13 54.36 3mnx s LEU 33 Cb -0.14 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 3mnx s LEU 33 CO 0.02 -0.05 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.72 3mnx s GLN 34 N 1.38 1.11 0.19 1.98 -0.21 -0.17 -0.76 119.66 123.18 3mnx s GLN 34 Ca 0.15 -1.23 0.10 0.00 0.02 0.00 0.00 55.36 54.39 3mnx s GLN 34 Cb -0.15 -1.18 -0.04 0.00 1.00 0.00 0.00 33.01 32.64 3mnx s GLN 34 CO 0.07 0.25 -0.20 1.52 -2.12 0.00 0.00 175.29 174.82 3mnx s TYR 35 N -1.69 2.01 -0.00 0.91 1.13 -0.24 -1.10 117.35 118.37 3mnx s TYR 35 Ca 0.09 -0.43 -0.30 0.00 -1.41 0.00 0.00 57.07 55.02 3mnx s TYR 35 Cb -0.07 -0.98 -0.03 0.00 -1.10 0.00 0.00 41.96 39.78 3mnx s TYR 35 CO 0.04 0.43 0.98 0.50 -2.51 0.00 0.00 175.55 175.00 3mnx s ARG 36 N -2.90 4.56 -0.33 -3.49 3.52 -0.65 -1.07 118.95 118.58 3mnx s ARG 36 Ca 0.19 1.43 -0.01 0.00 -0.13 0.00 0.00 55.73 57.21 3mnx s ARG 36 Cb -0.06 -3.46 0.11 0.00 -1.56 0.00 0.00 34.95 29.98 3mnx s ARG 36 CO 0.09 -0.06 0.14 0.45 -0.81 0.00 0.00 175.30 175.11 3mnx s SER 36 N 1.01 3.73 1.96 -2.12 0.15 0.35 -4.80 113.70 113.98 3mnx s SER 36 Ca 0.52 -1.80 0.00 0.00 0.70 0.00 0.00 55.95 55.37 3mnx s SER 36 Cb -0.21 -0.73 0.00 0.00 -1.71 0.00 0.00 66.02 63.37 3mnx s SER 36 CO 0.28 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.95 3mnx n GLY 36 N 4.61 3.80 1.32 9.45 0.00 -1.26 -1.23 105.19 121.88 3mnx n GLY 36 Ca 0.01 0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.33 3mnx n GLY 36 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mnx n SER 36 N 9.39 3.87 -1.72 1.61 2.88 -1.26 -4.95 113.62 123.44 3mnx n SER 36 Ca 0.00 -2.20 -0.06 0.00 -1.33 0.00 0.00 58.87 55.28 3mnx n SER 36 Cb 0.00 -0.49 -0.02 0.00 -0.75 0.00 0.00 64.21 62.95 3mnx n SER 36 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3mnx n SER 37 N 1.19 -0.08 -4.23 -3.46 3.41 -0.37 -5.16 113.62 104.92 3mnx n SER 37 Ca 0.22 -1.65 -0.24 0.00 -0.26 0.00 0.00 58.87 56.94 3mnx n SER 37 Cb 0.68 0.48 -0.14 0.00 -0.26 0.00 0.00 64.21 64.97 3mnx n SER 37 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3mnx s TRP 38 N -2.36 1.66 -0.03 7.33 0.52 -1.26 -0.49 118.94 124.30 3mnx s TRP 38 Ca 0.11 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 55.88 3mnx s TRP 38 Cb 0.01 -0.97 0.00 0.00 -1.15 0.00 0.00 33.47 31.36 3mnx s TRP 38 CO 0.08 0.09 -0.11 0.00 0.02 0.00 0.00 176.95 177.03 3mnx s ALA 39 N -0.87 1.05 0.25 0.98 0.00 -0.24 -4.89 121.76 118.03 3mnx s ALA 39 Ca 0.06 -0.41 -0.31 0.00 0.00 0.00 0.00 51.96 51.30 3mnx s ALA 39 Cb -0.09 -0.39 -0.11 0.00 0.00 0.00 0.00 23.12 22.53 3mnx s ALA 39 CO 0.02 0.16 1.59 -1.58 0.00 0.00 0.00 175.76 175.96 3mnx s HIS 40 N 0.24 2.88 0.00 0.00 2.46 -1.26 -1.08 115.29 118.52 3mnx s HIS 40 Ca -0.05 0.70 0.00 0.00 0.47 0.00 0.00 55.06 56.18 3mnx s HIS 40 Cb -0.10 -4.02 0.00 0.00 -0.13 0.00 0.00 32.58 28.33 3mnx s HIS 40 CO 0.01 -3.58 0.00 -2.37 -2.47 0.00 0.00 174.74 166.33 3mnx n THR 41 N 2.89 0.00 -3.83 0.89 5.66 0.06 -4.90 114.28 115.04 3mnx n THR 41 Ca 0.11 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.06 3mnx n THR 41 Cb 0.38 -0.83 0.01 0.00 -1.55 0.00 0.00 70.33 68.33 3mnx n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mnx n GLY 43 N -0.58 1.78 3.91 0.00 0.00 0.20 -0.41 105.19 110.08 3mnx n GLY 43 Ca -0.05 -2.19 0.02 0.00 0.00 0.00 0.00 46.02 43.80 3mnx n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mnx s GLY 44 N -4.26 -0.14 -0.05 -0.02 0.00 -1.11 -3.65 107.32 98.09 3mnx s GLY 44 Ca 0.52 0.09 0.03 0.00 0.00 0.00 0.00 44.72 45.35 3mnx s GLY 44 CO 0.33 4.13 -0.12 -1.59 0.00 0.00 0.00 173.10 175.86 3mnx s THR 45 N -2.12 1.05 -0.11 0.90 2.01 -0.16 -1.54 115.64 115.67 3mnx s THR 45 Ca 0.25 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 3mnx s THR 45 Cb 0.00 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 3mnx s THR 45 CO -0.00 0.33 1.30 -0.22 -0.69 0.00 0.00 174.62 175.33 3mnx s LEU 46 N 0.47 4.23 -0.01 4.42 2.96 -0.21 -0.80 118.68 129.75 3mnx s LEU 46 Ca -0.10 1.81 0.04 0.00 -0.22 0.00 0.00 54.13 55.67 3mnx s LEU 46 Cb -0.13 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 3mnx s LEU 46 CO 0.02 -0.73 0.09 2.30 -1.32 0.00 0.00 176.35 176.72 3mnx n ILE 47 N 5.12 0.00 -4.12 6.68 -5.35 -0.37 0.08 119.36 121.40 3mnx n ILE 47 Ca 0.13 -0.11 -0.10 0.00 -0.27 0.00 0.00 62.75 62.40 3mnx n ILE 47 Cb 0.45 0.44 -0.09 0.00 -1.74 0.00 0.00 39.64 38.70 3mnx n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3mnx s ARG 48 N -2.23 1.09 0.61 6.28 1.81 -1.02 -4.74 118.95 120.75 3mnx s ARG 48 Ca -0.01 -1.43 0.41 0.00 -1.72 0.00 0.00 55.73 52.97 3mnx s ARG 48 Cb 0.03 0.29 2.15 0.00 -0.45 0.00 0.00 34.95 36.97 3mnx s ARG 48 CO 0.17 -0.35 2.24 1.96 -0.68 0.00 0.00 175.30 178.64 3mnx h GLN 49 N 2.70 0.00 0.00 3.54 4.20 -1.96 -2.69 115.11 120.90 3mnx h GLN 49 Ca -0.34 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 3mnx h GLN 49 Cb 1.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 3mnx h GLN 49 CO 0.54 0.00 -0.24 0.27 -0.67 0.00 0.00 178.83 178.73 3mnx n ASN 50 N -2.98 1.63 -3.91 1.46 6.94 -1.26 -1.23 115.26 115.91 3mnx n ASN 50 Ca -0.02 -2.87 -0.15 0.00 -0.02 0.00 0.00 54.58 51.51 3mnx n ASN 50 Cb 0.10 -0.38 -0.15 0.00 -2.36 0.00 0.00 39.78 36.99 3mnx n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3mnx s TRP 51 N -2.07 0.37 -0.02 -2.53 0.52 -1.01 -0.59 118.94 113.60 3mnx s TRP 51 Ca 0.25 -0.06 0.08 0.00 0.02 0.00 0.00 56.10 56.39 3mnx s TRP 51 Cb 0.23 -0.28 -0.02 0.00 -1.15 0.00 0.00 33.47 32.25 3mnx s TRP 51 CO -0.00 -0.04 -0.25 0.08 0.02 0.00 0.00 176.95 176.76 3mnx s VAL 52 N 0.15 2.01 -0.18 4.03 1.01 -0.25 -1.23 120.40 125.94 3mnx s VAL 52 Ca -0.01 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.80 3mnx s VAL 52 Cb -0.04 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3mnx s VAL 52 CO -0.00 0.57 0.11 -0.32 0.00 0.00 0.00 175.10 175.45 3mnx s MET 53 N -0.56 3.95 0.15 2.72 1.75 0.02 -0.44 119.30 126.89 3mnx s MET 53 Ca 0.09 -0.25 0.01 0.00 -1.25 0.00 0.00 55.69 54.28 3mnx s MET 53 Cb -0.10 -3.29 -0.00 0.00 2.84 0.00 0.00 34.83 34.28 3mnx s MET 53 CO -0.01 0.39 0.19 -2.37 -0.65 0.00 0.00 175.02 172.58 3mnx n THR 54 N 3.20 0.00 -3.09 10.11 5.66 -0.42 -0.99 114.28 128.75 3mnx n THR 54 Ca -0.17 -0.89 -0.36 0.00 -3.05 0.00 0.00 64.05 59.59 3mnx n THR 54 Cb 0.53 0.51 -0.06 0.00 -1.55 0.00 0.00 70.33 69.75 3mnx n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mnx s ALA 55 N -2.27 3.39 0.30 1.79 0.00 -1.26 -1.22 121.76 122.49 3mnx s ALA 55 Ca 0.14 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 3mnx s ALA 55 Cb -0.00 -2.83 0.43 0.00 0.00 0.00 0.00 23.12 20.72 3mnx s ALA 55 CO 0.10 0.32 1.95 0.00 0.00 0.00 0.00 175.76 178.14 3mnx h ALA 56 N 3.29 1.38 0.00 0.00 0.00 -1.71 -2.48 119.26 119.74 3mnx h ALA 56 Ca -0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3mnx h ALA 56 Cb 1.19 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3mnx h ALA 56 CO 0.65 0.55 -0.05 1.12 0.00 0.00 0.00 179.25 181.53 3mnx h HIS 57 N 1.10 0.00 0.00 0.00 2.07 -1.93 -1.99 115.15 114.40 3mnx h HIS 57 Ca 0.29 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.76 3mnx h HIS 57 Cb -0.09 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.89 3mnx h HIS 57 CO 0.00 0.05 -0.25 0.00 -3.07 0.00 0.00 177.93 174.66 3mnx n VAL 59 N -3.78 2.32 -0.16 0.00 0.24 -0.76 -4.58 118.33 111.62 3mnx n VAL 59 Ca -0.01 -2.11 -0.05 0.00 -2.04 0.00 0.00 64.34 60.13 3mnx n VAL 59 Cb 0.35 -0.27 0.14 0.00 -1.47 0.00 0.00 33.84 32.59 3mnx n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3mnx h ASP 60 N 1.45 0.86 -4.01 -1.34 3.45 -1.46 -3.44 116.42 111.93 3mnx h ASP 60 Ca 0.06 -0.18 -0.46 0.00 0.43 0.00 0.00 57.03 56.88 3mnx h ASP 60 Cb 1.47 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 40.01 3mnx h ASP 60 CO 0.25 0.86 0.36 -0.13 -1.57 0.00 0.00 179.24 179.01 3mnx s ARG 61 N -5.17 4.24 -1.15 3.56 0.52 -1.26 -4.95 118.95 114.75 3mnx s ARG 61 Ca -0.10 1.26 -0.07 0.00 -0.52 0.00 0.00 55.73 56.30 3mnx s ARG 61 Cb 0.15 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.21 3mnx s ARG 61 CO 0.82 -0.03 2.89 0.39 0.02 0.00 0.00 175.30 179.38 3mnx n GLU 62 N -0.32 3.55 -3.30 3.54 -0.58 -1.26 -4.94 120.64 117.33 3mnx n GLU 62 Ca 0.06 -2.39 -0.19 0.00 -0.42 0.00 0.00 57.16 54.23 3mnx n GLU 62 Cb 0.52 -2.55 -0.01 0.00 -0.57 0.00 0.00 31.44 28.84 3mnx n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3mnx s LEU 63 N -0.78 3.69 -0.27 -4.62 1.43 -1.26 -5.07 118.68 111.80 3mnx s LEU 63 Ca 0.64 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 53.11 3mnx s LEU 63 Cb 0.23 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 3mnx s LEU 63 CO -0.08 -0.61 0.62 -0.89 0.23 0.00 0.00 176.35 175.62 3mnx s THR 64 N -2.32 4.98 0.06 5.49 2.01 -1.26 -5.02 115.64 119.57 3mnx s THR 64 Ca 0.50 1.04 0.04 0.00 0.31 0.00 0.00 61.69 63.58 3mnx s THR 64 Cb -0.08 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 3mnx s THR 64 CO 0.31 -0.01 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.85 3mnx s PHE 65 N 2.52 2.99 0.10 4.92 0.08 -1.26 -1.64 117.98 125.70 3mnx s PHE 65 Ca 0.26 -0.00 0.03 0.00 0.12 0.00 0.00 56.93 57.33 3mnx s PHE 65 Cb -0.15 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 3mnx s PHE 65 CO 0.09 0.46 -0.08 -0.98 -0.10 0.00 0.00 175.22 174.61 3mnx s ARG 65 N -2.01 0.85 -0.04 0.44 1.70 -0.26 -3.08 118.95 116.55 3mnx s ARG 65 Ca 0.23 -1.26 0.01 0.00 -0.47 0.00 0.00 55.73 54.24 3mnx s ARG 65 Cb -0.12 -0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 33.86 3mnx s ARG 65 CO 0.15 0.03 -0.05 0.08 -1.08 0.00 0.00 175.30 174.42 3mnx s VAL 66 N -3.08 3.80 -0.18 4.99 1.01 0.02 -1.00 120.40 125.95 3mnx s VAL 66 Ca 0.09 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3mnx s VAL 66 Cb 0.01 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.81 3mnx s VAL 66 CO -0.02 0.52 -0.18 -0.69 0.00 0.00 0.00 175.10 174.73 3mnx s VAL 67 N -0.90 2.31 0.18 2.92 1.01 -0.03 -1.23 120.40 124.66 3mnx s VAL 67 Ca 0.15 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.32 3mnx s VAL 67 Cb -0.11 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3mnx s VAL 67 CO 0.04 0.52 0.13 0.68 0.00 0.00 0.00 175.10 176.47 3mnx s VAL 68 N 1.21 4.37 -0.79 2.92 -7.23 -0.54 -1.63 120.40 118.70 3mnx s VAL 68 Ca 0.02 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 3mnx s VAL 68 Cb -0.14 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.55 3mnx s VAL 68 CO -0.09 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 3mnx n GLY 69 N -0.48 0.74 3.85 2.32 0.00 -1.25 -1.41 105.19 108.95 3mnx n GLY 69 Ca -0.08 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 3mnx n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mnx s GLU 70 N -3.11 3.96 0.09 1.61 2.56 -1.26 -3.51 118.70 119.03 3mnx s GLU 70 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 54.97 55.43 3mnx s GLU 70 Cb 0.00 -2.92 0.00 0.00 2.00 0.00 0.00 34.13 33.21 3mnx s GLU 70 CO 0.00 0.47 0.00 1.58 -0.56 0.00 0.00 175.26 176.75 3mnx n HIS 71 N 0.76 -0.61 -3.88 5.30 -0.00 -1.26 -4.94 115.22 110.58 3mnx n HIS 71 Ca -0.05 0.11 -0.36 0.00 -0.00 0.00 0.00 57.72 57.42 3mnx n HIS 71 Cb 0.52 0.29 -0.14 0.00 -0.00 0.00 0.00 29.99 30.66 3mnx n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3mnx s ASN 72 N -5.20 4.56 0.34 0.26 3.84 -1.26 -1.48 114.94 116.01 3mnx s ASN 72 Ca 0.00 -0.62 0.26 0.00 0.21 0.00 0.00 52.86 52.71 3mnx s ASN 72 Cb 0.00 -1.76 1.17 0.00 -0.55 0.00 0.00 41.25 40.11 3mnx s ASN 72 CO 0.00 -0.10 1.78 -0.07 -2.79 0.00 0.00 177.10 175.92 3mnx h LEU 73 N 8.12 0.00 0.00 3.21 3.38 -0.98 -3.12 115.31 125.93 3mnx h LEU 73 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3mnx h LEU 73 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3mnx h LEU 73 CO 0.59 0.00 -0.80 -0.46 0.09 0.00 0.00 178.44 177.86 3mnx n ASN 74 N -2.42 0.87 -4.32 -0.43 6.94 -1.26 -5.01 115.26 109.63 3mnx n ASN 74 Ca 0.01 -0.65 -0.25 0.00 -0.02 0.00 0.00 54.58 53.67 3mnx n ASN 74 Cb 0.19 1.12 -0.12 0.00 -2.36 0.00 0.00 39.78 38.60 3mnx n ASN 74 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3mnx s GLN 75 N -2.35 1.23 -0.13 -3.83 -1.52 -1.18 -5.10 119.66 106.78 3mnx s GLN 75 Ca 0.03 -1.26 -0.29 0.00 -1.95 0.00 0.00 55.36 51.88 3mnx s GLN 75 Cb 0.09 -1.53 -0.03 0.00 -0.22 0.00 0.00 33.01 31.32 3mnx s GLN 75 CO 0.53 0.35 1.48 1.21 -0.25 0.00 0.00 175.29 178.61 3mnx s ASN 76 N -2.09 6.75 0.18 5.90 2.47 -1.26 -4.65 114.94 122.23 3mnx s ASN 76 Ca 0.10 1.91 0.23 0.00 0.42 0.00 0.00 52.86 55.52 3mnx s ASN 76 Cb -0.09 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 37.22 3mnx s ASN 76 CO 0.05 -0.90 1.07 0.59 -3.72 0.00 0.00 177.10 174.19 3mnx n ASN 77 N 7.09 0.79 -0.04 -4.21 4.13 -1.26 -4.97 115.26 116.80 3mnx n ASN 77 Ca 0.16 0.25 -0.00 0.00 1.68 0.00 0.00 54.58 56.67 3mnx n ASN 77 Cb 0.44 0.46 -0.00 0.00 -1.54 0.00 0.00 39.78 39.13 3mnx n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mnx n GLY 78 N 1.22 0.47 0.00 7.41 0.00 -1.26 -4.87 105.19 108.16 3mnx n GLY 78 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3mnx n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mnx n THR 79 N -2.92 0.00 -2.56 2.61 -2.24 -1.26 -5.10 114.28 102.82 3mnx n THR 79 Ca -0.00 -0.19 -0.39 0.00 -2.27 0.00 0.00 64.05 61.19 3mnx n THR 79 Cb 0.05 1.39 -0.05 0.00 -2.10 0.00 0.00 70.33 69.62 3mnx n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mnx s GLU 80 N -0.14 4.51 -0.06 -0.78 8.01 -1.23 -4.44 118.70 124.57 3mnx s GLU 80 Ca 0.00 1.63 0.06 0.00 0.01 0.00 0.00 54.97 56.67 3mnx s GLU 80 Cb 0.00 -2.97 -0.01 0.00 -4.31 0.00 0.00 34.13 26.85 3mnx s GLU 80 CO 0.00 0.15 -0.23 -0.65 0.01 0.00 0.00 175.26 174.53 3mnx s GLN 81 N -1.79 2.42 -0.13 1.61 -0.21 -0.50 -5.00 119.66 116.06 3mnx s GLN 81 Ca 0.49 -0.84 -0.01 0.00 0.02 0.00 0.00 55.36 55.02 3mnx s GLN 81 Cb -0.27 -2.04 -0.02 0.00 1.00 0.00 0.00 33.01 31.68 3mnx s GLN 81 CO 0.34 0.34 -0.12 0.71 -2.12 0.00 0.00 175.29 174.45 3mnx s TYR 82 N -0.09 2.84 -0.08 0.91 1.51 -1.26 -1.47 117.35 119.71 3mnx s TYR 82 Ca -0.05 -0.60 -0.06 0.00 -1.01 0.00 0.00 57.07 55.35 3mnx s TYR 82 Cb -0.14 -1.86 0.03 0.00 -0.11 0.00 0.00 41.96 39.88 3mnx s TYR 82 CO 0.04 -0.19 0.20 0.54 -1.11 0.00 0.00 175.55 175.02 3mnx s VAL 83 N 0.37 -0.02 0.71 0.71 0.11 -0.37 -5.00 120.40 116.91 3mnx s VAL 83 Ca -0.10 0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 58.89 3mnx s VAL 83 Cb -0.16 -0.30 0.03 0.00 -1.53 0.00 0.00 36.38 34.42 3mnx s VAL 83 CO 0.05 0.03 1.11 -0.83 -3.33 0.00 0.00 175.10 172.13 3mnx s GLY 84 N 0.60 1.97 -0.25 6.54 0.00 -1.26 -0.80 107.32 114.11 3mnx s GLY 84 Ca -0.04 0.46 -0.15 0.00 0.00 0.00 0.00 44.72 44.99 3mnx s GLY 84 CO -0.03 0.81 0.36 0.14 0.00 0.00 0.00 173.10 174.38 3mnx s VAL 85 N -2.55 5.19 -0.11 1.40 1.01 -1.18 -0.86 120.40 123.31 3mnx s VAL 85 Ca 0.65 0.56 0.01 0.00 0.00 0.00 0.00 61.98 63.21 3mnx s VAL 85 Cb -0.20 -3.69 -0.24 0.00 0.00 0.00 0.00 36.38 32.25 3mnx s VAL 85 CO 0.48 0.19 0.42 1.67 0.00 0.00 0.00 175.10 177.85 3mnx n GLN 86 N 5.07 0.71 -3.78 2.72 7.27 0.31 -4.86 117.38 124.82 3mnx n GLN 86 Ca -0.09 0.26 -0.13 0.00 0.07 0.00 0.00 57.00 57.11 3mnx n GLN 86 Cb 0.51 -1.72 -0.11 0.00 2.41 0.00 0.00 30.24 31.33 3mnx n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3mnx s LYS 87 N -2.57 0.36 -0.17 3.69 2.20 -1.11 -4.99 119.74 117.16 3mnx s LYS 87 Ca -0.17 0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 3mnx s LYS 87 Cb 0.07 0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.57 3mnx s LYS 87 CO 0.78 -0.06 -0.17 0.42 -0.36 0.00 0.00 175.35 175.97 3mnx s ILE 88 N -0.06 2.43 -0.34 5.43 1.01 -1.26 -0.73 121.20 127.67 3mnx s ILE 88 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.80 3mnx s ILE 88 Cb -0.03 -2.03 0.09 0.00 0.01 0.00 0.00 42.46 40.51 3mnx s ILE 88 CO 0.01 0.52 0.07 -0.69 0.00 0.00 0.00 174.94 174.85 3mnx s VAL 89 N 1.04 2.75 0.25 2.92 1.01 0.35 -5.00 120.40 123.71 3mnx s VAL 89 Ca -0.01 -1.96 -0.16 0.00 0.00 0.00 0.00 61.98 59.85 3mnx s VAL 89 Cb -0.15 -2.83 -0.08 0.00 0.00 0.00 0.00 36.38 33.32 3mnx s VAL 89 CO -0.05 -0.46 0.68 -0.69 0.00 0.00 0.00 175.10 174.58 3mnx s VAL 90 N 1.08 4.71 0.22 2.92 1.01 -1.26 -0.73 120.40 128.34 3mnx s VAL 90 Ca 0.04 0.97 -0.32 0.00 0.00 0.00 0.00 61.98 62.67 3mnx s VAL 90 Cb -0.21 -3.71 -0.13 0.00 0.00 0.00 0.00 36.38 32.33 3mnx s VAL 90 CO -0.05 0.02 1.49 1.57 0.00 0.00 0.00 175.10 178.13 3mnx n HIS 91 N 0.19 2.28 0.29 5.22 -0.00 -0.72 -4.83 115.22 117.65 3mnx n HIS 91 Ca -0.00 0.35 0.15 0.00 0.46 0.00 0.00 57.72 58.68 3mnx n HIS 91 Cb 0.52 -2.51 0.70 0.00 -0.12 0.00 0.00 29.99 28.58 3mnx n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3mnx h PRO 92 N 4.92 0.00 -0.31 1.57 0.13 -1.93 -1.57 132.00 134.82 3mnx h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3mnx h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3mnx h PRO 92 CO 0.81 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.24 3mnx n TYR 93 N -2.57 0.40 -1.93 1.56 4.01 -1.26 -4.95 117.16 112.42 3mnx n TYR 93 Ca -0.00 -0.20 -0.41 0.00 -0.16 0.00 0.00 57.90 57.13 3mnx n TYR 93 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.17 3mnx n TYR 93 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3mnx s TRP 94 N -1.60 2.91 -0.16 -0.72 -0.11 -0.59 -4.87 118.94 113.79 3mnx s TRP 94 Ca 0.37 0.97 -0.02 0.00 1.22 0.00 0.00 56.10 58.64 3mnx s TRP 94 Cb 0.22 -3.90 0.05 0.00 -1.50 0.00 0.00 33.47 28.33 3mnx s TRP 94 CO 0.31 -2.95 -0.00 1.21 -4.62 0.00 0.00 176.95 170.89 3mnx s ASN 95 N 0.34 2.67 0.50 5.86 2.47 -1.26 -5.02 114.94 120.51 3mnx s ASN 95 Ca 0.60 -0.64 0.26 0.00 0.42 0.00 0.00 52.86 53.50 3mnx s ASN 95 Cb -0.44 -0.69 1.35 0.00 -1.45 0.00 0.00 41.25 40.02 3mnx s ASN 95 CO 0.46 -0.24 1.90 0.00 -3.72 0.00 0.00 177.10 175.50 3mnx h THR 96 N 6.44 0.63 0.00 -5.21 1.03 -1.98 -0.64 112.91 113.18 3mnx h THR 96 Ca -0.19 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.17 3mnx h THR 96 Cb 1.12 0.50 0.00 0.00 -1.07 0.00 0.00 68.15 68.70 3mnx h THR 96 CO 0.34 0.02 0.00 0.47 -0.01 0.00 0.00 175.52 176.35 3mnx n ASP 97 N -4.36 0.00 -2.73 0.00 8.00 -1.26 -4.43 116.55 111.77 3mnx n ASP 97 Ca 0.17 -1.13 -0.08 0.00 0.71 0.00 0.00 54.79 54.45 3mnx n ASP 97 Cb 0.81 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.99 3mnx n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3mnx n ASP 98 N -0.73 -2.35 -2.05 -2.24 -0.08 -0.25 -5.06 116.55 103.79 3mnx n ASP 98 Ca 0.08 -3.39 -0.00 0.00 -1.51 0.00 0.00 54.79 49.97 3mnx n ASP 98 Cb 0.04 1.81 -0.00 0.00 2.34 0.00 0.00 41.12 45.30 3mnx n ASP 98 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 3mnx n VAL 99 N 0.71 0.28 0.00 5.18 3.14 -1.25 -4.01 118.33 122.39 3mnx n VAL 99 Ca 0.06 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 3mnx n VAL 99 Cb 0.69 -1.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.29 3mnx n VAL 99 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3mnx n ALA 99 N 2.17 0.00 0.00 1.55 0.00 -1.26 -4.80 120.51 118.17 3mnx n ALA 99 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3mnx n ALA 99 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3mnx n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mnx n GLY 100 N 0.00 -1.46 2.40 0.00 0.00 -1.26 -4.99 105.19 99.88 3mnx n GLY 100 Ca 0.00 -1.89 -0.17 0.00 0.00 0.00 0.00 46.02 43.97 3mnx n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mnx n TYR 101 N 0.00 -0.40 -2.55 1.61 4.01 -1.26 -4.65 117.16 113.92 3mnx n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3mnx n TYR 101 Cb 0.00 -3.12 0.00 0.00 -0.31 0.00 0.00 39.34 35.91 3mnx n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3mnx n ASP 102 N -0.93 4.94 -3.68 7.72 4.64 -1.26 -4.35 116.55 123.63 3mnx n ASP 102 Ca -0.18 -2.98 -0.15 0.00 -1.38 0.00 0.00 54.79 50.11 3mnx n ASP 102 Cb 0.60 -1.61 -0.08 0.00 -1.04 0.00 0.00 41.12 38.99 3mnx n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 3mnx s ILE 103 N 2.17 0.02 -0.03 5.18 2.07 -1.26 -3.92 121.20 125.43 3mnx s ILE 103 Ca 0.45 -0.15 -0.17 0.00 -1.41 0.00 0.00 60.65 59.38 3mnx s ILE 103 Cb 0.04 -0.75 0.03 0.00 0.13 0.00 0.00 42.46 41.91 3mnx s ILE 103 CO 0.01 -0.08 0.36 0.00 -1.91 0.00 0.00 174.94 173.31 3mnx s ALA 104 N -0.59 -0.91 -0.08 1.50 0.00 -0.35 -1.75 121.76 119.57 3mnx s ALA 104 Ca -0.07 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.42 3mnx s ALA 104 Cb -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 3mnx s ALA 104 CO 0.04 -0.27 -0.16 -0.51 0.00 0.00 0.00 175.76 174.87 3mnx s LEU 105 N -1.18 2.62 -0.18 0.00 1.43 0.09 -1.30 118.68 120.16 3mnx s LEU 105 Ca -0.12 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3mnx s LEU 105 Cb -0.04 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3mnx s LEU 105 CO 0.05 0.27 -0.12 -0.76 0.23 0.00 0.00 176.35 176.02 3mnx s LEU 106 N -0.31 2.55 -0.12 1.79 1.43 0.41 -0.50 118.68 123.94 3mnx s LEU 106 Ca 0.02 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 52.44 3mnx s LEU 106 Cb -0.13 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 3mnx s LEU 106 CO 0.03 0.03 0.58 -0.60 0.23 0.00 0.00 176.35 176.62 3mnx s ARG 107 N 1.15 4.35 0.37 1.70 3.52 0.09 -1.09 118.95 129.04 3mnx s ARG 107 Ca 0.01 0.63 -0.13 0.00 -0.13 0.00 0.00 55.73 56.12 3mnx s ARG 107 Cb -0.14 -3.47 -0.08 0.00 -1.56 0.00 0.00 34.95 29.70 3mnx s ARG 107 CO -0.04 0.05 0.75 -0.51 -0.81 0.00 0.00 175.30 174.74 3mnx s LEU 108 N 0.93 3.94 0.42 -0.88 1.43 0.25 -0.53 118.68 124.24 3mnx s LEU 108 Ca 0.30 1.20 0.18 0.00 -1.03 0.00 0.00 54.13 54.79 3mnx s LEU 108 Cb -0.16 -4.05 0.92 0.00 0.03 0.00 0.00 46.19 42.93 3mnx s LEU 108 CO 0.13 -0.31 1.88 0.00 0.23 0.00 0.00 176.35 178.28 3mnx h ALA 109 N 1.73 1.27 -2.65 4.21 0.00 -1.33 -3.43 119.26 119.05 3mnx h ALA 109 Ca -0.47 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 53.97 3mnx h ALA 109 Cb 1.18 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.74 3mnx h ALA 109 CO 0.65 0.37 -0.70 -0.65 0.00 0.00 0.00 179.25 178.91 3mnx s GLN 110 N -4.05 0.57 0.06 0.00 1.11 -1.26 -5.04 119.66 111.05 3mnx s GLN 110 Ca -0.02 -0.98 -0.29 0.00 0.01 0.00 0.00 55.36 54.07 3mnx s GLN 110 Cb 0.13 -0.05 -0.05 0.00 -1.01 0.00 0.00 33.01 32.04 3mnx s GLN 110 CO 0.68 -0.03 0.95 -1.12 0.01 0.00 0.00 175.29 175.77 3mnx s SER 111 N -2.26 7.42 0.58 5.90 0.01 -1.26 -4.67 113.70 119.42 3mnx s SER 111 Ca -0.02 1.71 -0.13 0.00 1.31 0.00 0.00 55.95 58.82 3mnx s SER 111 Cb -0.02 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 3mnx s SER 111 CO -0.04 -0.13 1.01 0.68 0.41 0.00 0.00 173.24 175.17 3mnx s VAL 112 N 0.35 4.66 -0.12 3.43 -7.23 -0.36 -4.99 120.40 116.15 3mnx s VAL 112 Ca 0.48 0.96 -0.16 0.00 -1.81 0.00 0.00 61.98 61.45 3mnx s VAL 112 Cb -0.22 -3.82 -0.05 0.00 0.56 0.00 0.00 36.38 32.85 3mnx s VAL 112 CO 0.28 -1.00 0.39 -0.89 -0.31 0.00 0.00 175.10 173.58 3mnx s THR 113 N -2.99 5.22 0.20 5.32 2.01 -1.26 -4.88 115.64 119.26 3mnx s THR 113 Ca 0.56 0.76 -0.21 0.00 0.31 0.00 0.00 61.69 63.12 3mnx s THR 113 Cb -0.11 -3.72 -0.08 0.00 0.01 0.00 0.00 72.50 68.60 3mnx s THR 113 CO 0.47 0.39 0.73 -0.76 -0.69 0.00 0.00 174.62 174.75 3mnx s LEU 114 N 0.32 4.40 0.00 4.42 1.43 -1.26 -4.81 118.68 123.18 3mnx s LEU 114 Ca 0.22 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 3mnx s LEU 114 Cb -0.14 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.58 3mnx s LEU 114 CO 0.08 0.08 0.00 -0.46 0.23 0.00 0.00 176.35 176.28 3mnx n ASN 115 N 0.94 0.00 0.12 2.29 0.23 -0.31 -4.96 115.26 113.58 3mnx n ASN 115 Ca -0.03 -0.83 0.11 0.00 -0.53 0.00 0.00 54.58 53.29 3mnx n ASN 115 Cb 0.51 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.69 3mnx n ASN 115 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3mnx n SER 116 N -0.67 0.58 -0.05 0.53 3.41 -1.26 -2.10 113.62 114.07 3mnx n SER 116 Ca 0.00 0.66 0.10 0.00 -0.26 0.00 0.00 58.87 59.38 3mnx n SER 116 Cb 0.00 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.07 3mnx n SER 116 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mnx n TYR 117 N -2.17 0.00 -3.59 7.33 4.01 -1.26 -4.73 117.16 116.75 3mnx n TYR 117 Ca 0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.48 3mnx n TYR 117 Cb 0.19 -0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.05 3mnx n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3mnx s VAL 118 N -2.95 -0.06 0.05 -0.72 1.01 -0.89 -3.92 120.40 112.93 3mnx s VAL 118 Ca 0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3mnx s VAL 118 Cb 0.16 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 3mnx s VAL 118 CO 0.84 -0.45 0.04 -1.10 0.00 0.00 0.00 175.10 174.42 3mnx s GLN 119 N 2.11 0.64 0.32 2.72 -1.52 -0.78 -1.16 119.66 121.99 3mnx s GLN 119 Ca 0.05 -1.05 -0.28 0.00 -1.95 0.00 0.00 55.36 52.12 3mnx s GLN 119 Cb -0.16 0.23 -0.09 0.00 -0.22 0.00 0.00 33.01 32.77 3mnx s GLN 119 CO -0.20 -0.14 1.09 -0.51 -0.25 0.00 0.00 175.29 175.28 3mnx s LEU 120 N -2.69 4.42 0.40 2.90 1.43 -1.26 -3.49 118.68 120.39 3mnx s LEU 120 Ca 0.03 2.22 -0.24 0.00 -1.03 0.00 0.00 54.13 55.11 3mnx s LEU 120 Cb 0.05 -3.80 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 3mnx s LEU 120 CO -0.09 -0.27 1.08 -0.83 0.23 0.00 0.00 176.35 176.47 3mnx s GLY 121 N -1.07 2.78 -0.32 -3.19 0.00 0.11 -4.83 107.32 100.81 3mnx s GLY 121 Ca 0.49 0.77 -0.17 0.00 0.00 0.00 0.00 44.72 45.81 3mnx s GLY 121 CO 0.38 1.23 0.45 0.14 0.00 0.00 0.00 173.10 175.29 3mnx s VAL 122 N -1.58 5.09 0.30 1.40 1.01 -1.26 -4.80 120.40 120.57 3mnx s VAL 122 Ca 0.57 0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.91 3mnx s VAL 122 Cb -0.24 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 3mnx s VAL 122 CO 0.31 -0.07 0.55 -0.76 0.00 0.00 0.00 175.10 175.13 3mnx s LEU 123 N 2.22 4.04 0.79 3.92 1.43 -1.26 -0.74 118.68 129.08 3mnx s LEU 123 Ca 0.16 0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 53.80 3mnx s LEU 123 Cb -0.16 -3.48 0.06 0.00 0.03 0.00 0.00 46.19 42.65 3mnx s LEU 123 CO 0.12 -0.22 1.10 -2.16 0.23 0.00 0.00 176.35 175.41 3mnx s PRO 124 N -3.74 2.16 0.47 1.29 0.05 -1.26 -4.89 135.00 129.07 3mnx s PRO 124 Ca 0.43 0.61 -0.24 0.00 0.05 0.00 0.00 61.00 61.86 3mnx s PRO 124 Cb -0.10 -1.93 -0.07 0.00 0.05 0.00 0.00 34.50 32.45 3mnx s PRO 124 CO 0.32 -1.56 1.26 1.03 0.05 0.00 0.00 177.00 178.09 3mnx s ARG 125 N -5.18 3.66 0.21 4.56 0.52 -1.26 -4.83 118.95 116.63 3mnx s ARG 125 Ca 0.61 2.01 -0.32 0.00 -0.52 0.00 0.00 55.73 57.50 3mnx s ARG 125 Cb -0.14 -2.47 -0.14 0.00 0.52 0.00 0.00 34.95 32.72 3mnx s ARG 125 CO 0.54 -0.70 1.39 0.00 0.02 0.00 0.00 175.30 176.54 3mnx n ALA 126 N -0.45 0.77 -0.29 2.13 0.00 -1.26 -2.16 120.51 119.26 3mnx n ALA 126 Ca 0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3mnx n ALA 126 Cb 0.46 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3mnx n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mnx n GLY 127 N 2.29 1.67 3.72 0.00 0.00 -0.59 -5.02 105.19 107.26 3mnx n GLY 127 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3mnx n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mnx s THR 128 N -3.02 2.36 -0.09 2.61 2.01 -0.92 -5.00 115.64 113.59 3mnx s THR 128 Ca 0.00 0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.29 3mnx s THR 128 Cb 0.00 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.35 3mnx s THR 128 CO 0.00 0.02 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.12 3mnx s ILE 129 N 1.13 1.74 0.11 1.82 -1.09 -1.26 -4.78 121.20 118.88 3mnx s ILE 129 Ca 0.72 -0.83 -0.20 0.00 -2.23 0.00 0.00 60.65 58.11 3mnx s ILE 129 Cb -0.46 -1.53 -0.07 0.00 -1.58 0.00 0.00 42.46 38.82 3mnx s ILE 129 CO 0.32 0.49 0.62 -0.76 -1.23 0.00 0.00 174.94 174.38 3mnx s LEU 130 N 0.49 4.50 0.80 2.97 1.43 -1.26 -5.03 118.68 122.57 3mnx s LEU 130 Ca -0.17 1.34 -0.14 0.00 -1.03 0.00 0.00 54.13 54.13 3mnx s LEU 130 Cb -0.17 -3.08 0.06 0.00 0.03 0.00 0.00 46.19 43.02 3mnx s LEU 130 CO 0.06 0.22 1.08 0.00 0.23 0.00 0.00 176.35 177.94 3mnx n ALA 131 N 1.49 -0.28 -1.64 4.21 0.00 -1.26 -4.87 120.51 118.17 3mnx n ALA 131 Ca -0.08 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 3mnx n ALA 131 Cb 0.50 -2.18 -0.00 0.00 0.00 0.00 0.00 19.45 17.77 3mnx n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mnx n ASN 132 N -2.69 1.86 -1.58 0.00 5.15 -1.26 -2.44 115.26 114.29 3mnx n ASN 132 Ca 0.13 1.14 -0.15 0.00 -0.60 0.00 0.00 54.58 55.10 3mnx n ASN 132 Cb 0.50 -1.39 -0.02 0.00 -0.53 0.00 0.00 39.78 38.35 3mnx n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3mnx n ASN 133 N 0.79 -4.56 -4.77 1.20 5.15 0.21 -4.94 115.26 108.34 3mnx n ASN 133 Ca 0.08 0.06 -0.38 0.00 -0.60 0.00 0.00 54.58 53.74 3mnx n ASN 133 Cb 0.36 -3.64 -0.04 0.00 -0.53 0.00 0.00 39.78 35.94 3mnx n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3mnx s SER 134 N -2.43 6.87 0.03 1.20 0.01 -1.02 -4.58 113.70 113.78 3mnx s SER 134 Ca 0.00 2.20 -0.30 0.00 1.31 0.00 0.00 55.95 59.16 3mnx s SER 134 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 3mnx s SER 134 CO 0.00 -0.42 1.08 -2.16 0.41 0.00 0.00 173.24 172.16 3mnx s PRO 135 N -2.07 4.50 0.06 12.44 0.04 -1.26 -1.36 135.00 147.34 3mnx s PRO 135 Ca 0.53 1.59 -0.09 0.00 0.04 0.00 0.00 61.00 63.07 3mnx s PRO 135 Cb -0.28 -3.40 -0.00 0.00 0.04 0.00 0.00 34.50 30.86 3mnx s PRO 135 CO 0.35 -0.14 0.18 0.00 0.04 0.00 0.00 177.00 177.43 3mnx s TYR 137 N -3.11 2.17 0.11 0.00 2.02 -0.13 -0.72 117.35 117.69 3mnx s TYR 137 Ca -0.01 -0.66 -0.13 0.00 -0.37 0.00 0.00 57.07 55.90 3mnx s TYR 137 Cb 0.01 -1.44 -0.06 0.00 -0.40 0.00 0.00 41.96 40.07 3mnx s TYR 137 CO -0.07 -0.22 0.49 -1.50 -1.57 0.00 0.00 175.55 172.69 3mnx s ILE 138 N -0.04 4.94 0.06 2.71 2.07 -0.44 -0.79 121.20 129.70 3mnx s ILE 138 Ca -0.05 0.74 0.05 0.00 -1.41 0.00 0.00 60.65 59.97 3mnx s ILE 138 Cb -0.13 -3.71 -0.03 0.00 0.13 0.00 0.00 42.46 38.72 3mnx s ILE 138 CO 0.04 0.30 -0.14 0.42 -1.91 0.00 0.00 174.94 173.65 3mnx s THR 139 N -1.39 1.09 0.00 4.00 -4.23 -1.20 -1.33 115.64 112.58 3mnx s THR 139 Ca 0.35 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 3mnx s THR 139 Cb -0.15 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.67 3mnx s THR 139 CO 0.18 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 3mnx n GLY 140 N 1.56 -0.58 1.31 3.99 0.00 -0.57 -4.47 105.19 106.43 3mnx n GLY 140 Ca -0.20 -1.19 0.07 0.00 0.00 0.00 0.00 46.02 44.70 3mnx n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mnx n TRP 141 N -0.67 1.43 -1.23 1.61 8.01 -1.26 -1.50 117.44 123.83 3mnx n TRP 141 Ca 0.00 -0.88 -0.30 0.00 -1.31 0.00 0.00 57.50 55.01 3mnx n TRP 141 Cb 0.00 -0.42 0.25 0.00 -2.01 0.00 0.00 31.31 29.13 3mnx n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3mnx n GLY 142 N -0.14 -2.54 3.68 6.99 0.00 -1.26 -1.98 105.19 109.94 3mnx n GLY 142 Ca 0.25 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 3mnx n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mnx n LEU 143 N 0.00 3.73 -0.14 0.99 4.77 -0.10 -2.64 117.00 123.60 3mnx n LEU 143 Ca 0.16 1.09 0.12 0.00 -0.03 0.00 0.00 56.01 57.35 3mnx n LEU 143 Cb 0.59 -1.47 0.27 0.00 -2.33 0.00 0.00 43.42 40.49 3mnx n LEU 143 CO 0.42 -0.84 0.51 0.35 -1.33 0.00 0.00 177.39 176.50 3mnx n THR 144 N -0.28 0.00 -3.74 -5.08 -2.24 -0.85 -1.33 114.28 100.76 3mnx n THR 144 Ca 0.07 -0.08 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 3mnx n THR 144 Cb 0.39 0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 68.97 3mnx n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mnx s ARG 145 N -2.73 0.78 0.07 -0.78 0.52 -1.26 -4.27 118.95 111.27 3mnx s ARG 145 Ca 0.18 -0.36 -0.36 0.00 -0.52 0.00 0.00 55.73 54.66 3mnx s ARG 145 Cb 0.18 0.34 -0.15 0.00 0.52 0.00 0.00 34.95 35.84 3mnx s ARG 145 CO 0.62 -0.24 1.48 2.41 0.02 0.00 0.00 175.30 179.58 3mnx n THR 147 N 0.82 0.06 -2.20 0.02 -1.04 -1.26 -0.84 114.28 109.84 3mnx n THR 147 Ca -0.20 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.05 61.59 3mnx n THR 147 Cb 0.58 -1.13 -0.03 0.00 -1.82 0.00 0.00 70.33 67.93 3mnx n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3mnx n ASN 148 N 3.26 -5.82 -0.35 8.00 3.02 -1.26 -4.96 115.26 117.14 3mnx n ASN 148 Ca 0.19 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 3mnx n ASN 148 Cb 0.22 -4.92 0.00 0.00 -0.61 0.00 0.00 39.78 34.47 3mnx n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mnx n GLY 149 N -0.86 1.73 3.32 7.41 0.00 -0.02 -5.14 105.19 111.64 3mnx n GLY 149 Ca -0.24 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 43.83 3mnx n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mnx s GLN 150 N 3.58 1.24 0.53 1.61 -2.07 -1.26 -4.92 119.66 118.37 3mnx s GLN 150 Ca 0.00 -1.51 -0.22 0.00 -1.82 0.00 0.00 55.36 51.81 3mnx s GLN 150 Cb 0.00 -1.02 -0.05 0.00 -1.09 0.00 0.00 33.01 30.84 3mnx s GLN 150 CO 0.00 0.17 1.37 1.28 -1.32 0.00 0.00 175.29 176.79 3mnx n LEU 151 N -0.19 5.45 -4.75 2.60 4.77 -1.26 -2.00 117.00 121.62 3mnx n LEU 151 Ca -0.10 1.00 -0.35 0.00 -0.03 0.00 0.00 56.01 56.53 3mnx n LEU 151 Cb 0.60 -1.58 0.04 0.00 -2.33 0.00 0.00 43.42 40.15 3mnx n LEU 151 CO 0.33 -0.52 0.83 0.00 -1.33 0.00 0.00 177.39 176.70 3mnx s ALA 152 N -1.27 2.47 -0.02 -1.18 0.00 -0.84 -4.84 121.76 116.08 3mnx s ALA 152 Ca 0.70 0.95 -0.09 0.00 0.00 0.00 0.00 51.96 53.52 3mnx s ALA 152 Cb -0.42 -3.44 -0.30 0.00 0.00 0.00 0.00 23.12 18.95 3mnx s ALA 152 CO 0.51 -1.29 0.76 1.96 0.00 0.00 0.00 175.76 177.70 3mnx h GLN 153 N 0.62 0.36 -6.46 0.00 4.20 -1.93 -3.45 115.11 108.45 3mnx h GLN 153 Ca -0.50 -0.61 -0.66 0.00 0.06 0.00 0.00 58.65 56.94 3mnx h GLN 153 Cb 1.29 0.23 -0.15 0.00 0.30 0.00 0.00 27.48 29.15 3mnx h GLN 153 CO 0.54 1.26 -0.71 0.95 -0.67 0.00 0.00 178.83 180.20 3mnx s THR 154 N -2.59 3.57 0.21 -0.54 -4.23 -1.26 -0.31 115.64 110.49 3mnx s THR 154 Ca -0.13 -1.12 -0.32 0.00 -1.18 0.00 0.00 61.69 58.94 3mnx s THR 154 Cb 0.06 -2.66 -0.13 0.00 1.34 0.00 0.00 72.50 71.10 3mnx s THR 154 CO 0.86 0.16 1.51 -0.11 -0.54 0.00 0.00 174.62 176.51 3mnx n LEU 155 N 0.81 3.28 -4.66 4.79 7.94 -0.55 -4.84 117.00 123.78 3mnx n LEU 155 Ca -0.13 1.11 -0.26 0.00 -1.11 0.00 0.00 56.01 55.62 3mnx n LEU 155 Cb 0.52 -1.45 -0.08 0.00 0.53 0.00 0.00 43.42 42.94 3mnx n LEU 155 CO 0.34 -0.30 -0.33 -1.10 -1.11 0.00 0.00 177.39 174.89 3mnx s GLN 156 N 0.20 2.38 0.04 1.96 -1.52 -0.56 -1.15 119.66 121.01 3mnx s GLN 156 Ca 0.72 -1.16 0.03 0.00 -1.95 0.00 0.00 55.36 53.00 3mnx s GLN 156 Cb -0.64 -2.32 -0.02 0.00 -0.22 0.00 0.00 33.01 29.81 3mnx s GLN 156 CO 0.44 0.44 -0.09 1.14 -0.25 0.00 0.00 175.29 176.97 3mnx s GLN 157 N -3.06 0.60 -0.01 2.91 -2.07 0.17 -1.51 119.66 116.68 3mnx s GLN 157 Ca 0.28 -0.70 -0.01 0.00 -1.82 0.00 0.00 55.36 53.11 3mnx s GLN 157 Cb -0.09 -0.46 0.01 0.00 -1.09 0.00 0.00 33.01 31.38 3mnx s GLN 157 CO 0.19 0.10 0.03 0.00 -1.32 0.00 0.00 175.29 174.28 3mnx s ALA 158 N -1.11 -0.04 -0.23 2.60 0.00 -0.44 -0.71 121.76 121.82 3mnx s ALA 158 Ca -0.06 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 3mnx s ALA 158 Cb -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3mnx s ALA 158 CO 0.01 -0.03 1.16 -0.47 0.00 0.00 0.00 175.76 176.43 3mnx s TYR 159 N 0.21 3.05 -0.29 0.00 5.04 -1.26 -1.33 117.35 122.78 3mnx s TYR 159 Ca -0.02 1.18 -0.01 0.00 -2.44 0.00 0.00 57.07 55.79 3mnx s TYR 159 Cb -0.03 -3.51 0.09 0.00 0.35 0.00 0.00 41.96 38.87 3mnx s TYR 159 CO -0.01 -1.13 0.07 -0.51 -1.34 0.00 0.00 175.55 172.64 3mnx s LEU 160 N 3.54 2.21 0.46 6.97 1.43 0.10 -4.97 118.68 128.43 3mnx s LEU 160 Ca 0.50 -1.49 -0.24 0.00 -1.03 0.00 0.00 54.13 51.87 3mnx s LEU 160 Cb -0.17 -0.88 -0.07 0.00 0.03 0.00 0.00 46.19 45.09 3mnx s LEU 160 CO 0.13 -0.38 1.28 -2.84 0.23 0.00 0.00 176.35 174.77 3mnx s PRO 161 N 1.60 3.68 0.61 1.29 0.02 -1.26 -3.71 135.00 137.24 3mnx s PRO 161 Ca 0.07 2.07 -0.16 0.00 0.02 0.00 0.00 61.00 62.99 3mnx s PRO 161 Cb -0.17 -2.52 -0.02 0.00 0.02 0.00 0.00 34.50 31.80 3mnx s PRO 161 CO -0.20 -0.70 1.10 0.95 -0.33 0.00 0.00 177.00 177.82 3mnx s THR 162 N -1.36 3.34 -0.20 0.99 -4.23 -0.46 -0.70 115.64 113.02 3mnx s THR 162 Ca 0.63 0.68 0.01 0.00 -1.18 0.00 0.00 61.69 61.83 3mnx s THR 162 Cb -0.36 -3.21 0.04 0.00 1.34 0.00 0.00 72.50 70.31 3mnx s THR 162 CO 0.45 -0.33 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.38 3mnx s VAL 163 N -2.21 1.80 0.88 2.29 1.01 -0.16 -0.62 120.40 123.39 3mnx s VAL 163 Ca 0.68 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 3mnx s VAL 163 Cb -0.20 -1.82 0.12 0.00 0.00 0.00 0.00 36.38 34.48 3mnx s VAL 163 CO 0.36 0.22 1.09 1.51 0.00 0.00 0.00 175.10 178.29 3mnx s ASP 164 N 1.34 3.55 0.23 3.32 1.47 -1.26 -4.14 116.67 121.17 3mnx s ASP 164 Ca -0.01 1.69 -0.07 0.00 1.18 0.00 0.00 52.55 55.34 3mnx s ASP 164 Cb -0.16 -2.34 0.33 0.00 -0.34 0.00 0.00 42.92 40.41 3mnx s ASP 164 CO -0.09 -2.62 1.79 0.22 0.68 0.00 0.00 175.17 175.16 3mnx h TYR 165 N -1.53 0.69 -0.66 2.11 3.20 -1.94 0.42 116.97 119.26 3mnx h TYR 165 Ca -0.48 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.49 3mnx h TYR 165 Cb 1.27 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 3mnx h TYR 165 CO 0.47 0.27 0.43 0.00 -1.64 0.00 0.00 178.16 177.70 3mnx h ALA 166 N 1.42 1.80 0.08 1.82 0.00 -1.97 -0.56 119.26 121.85 3mnx h ALA 166 Ca 0.35 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 3mnx h ALA 166 Cb 0.33 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3mnx h ALA 166 CO -0.25 0.09 -1.01 0.82 0.00 0.00 0.00 179.25 178.90 3mnx h ILE 167 N 0.63 1.26 0.00 0.00 2.04 -1.65 -3.36 117.51 116.43 3mnx h ILE 167 Ca 0.29 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.76 3mnx h ILE 167 Cb 0.32 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 3mnx h ILE 167 CO -0.09 0.63 0.00 0.00 0.00 0.00 0.00 178.15 178.69 3mnx n SER 169 N -2.34 7.05 0.00 0.00 3.41 -0.24 -1.07 113.62 120.43 3mnx n SER 169 Ca 0.04 -3.39 0.00 0.00 -0.26 0.00 0.00 58.87 55.26 3mnx n SER 169 Cb 0.36 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 3mnx n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mnx n SER 170 N 1.30 0.00 0.00 4.04 3.41 -1.26 -3.56 113.62 117.55 3mnx n SER 170 Ca 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 3mnx n SER 170 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3mnx n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mnx n TYR 171 N 0.00 0.00 1.01 7.33 4.02 -1.26 -4.82 117.16 123.44 3mnx n TYR 171 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 3mnx n TYR 171 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 3mnx n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3mnx n TRP 172 N 0.00 0.00 -3.39 -0.72 7.02 -0.23 -4.87 117.44 115.25 3mnx n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3mnx n TRP 172 Cb 0.00 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 3mnx n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mnx n GLY 173 N 1.46 2.30 0.00 6.99 0.00 -1.23 -1.51 105.19 113.19 3mnx n GLY 173 Ca 0.07 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.82 3mnx n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mnx n SER 174 N -0.29 0.00 -0.03 1.61 3.41 -1.26 -3.18 113.62 113.87 3mnx n SER 174 Ca 0.00 -0.99 -0.10 0.00 -0.26 0.00 0.00 58.87 57.52 3mnx n SER 174 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3mnx n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3mnx h THR 175 N 0.00 0.98 -4.07 6.66 2.02 -1.64 -3.43 112.91 113.42 3mnx h THR 175 Ca 0.00 -0.06 -0.47 0.00 0.77 0.00 0.00 66.41 66.65 3mnx h THR 175 Cb 0.00 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3mnx h THR 175 CO 0.00 0.03 0.32 0.54 0.37 0.00 0.00 175.52 176.78 3mnx s VAL 176 N -6.18 4.55 0.26 3.16 0.11 -1.19 -4.76 120.40 116.35 3mnx s VAL 176 Ca -0.13 1.17 0.06 0.00 -2.93 0.00 0.00 61.98 60.15 3mnx s VAL 176 Cb 0.09 -3.69 -0.06 0.00 -1.53 0.00 0.00 36.38 31.19 3mnx s VAL 176 CO 0.69 -0.56 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.29 3mnx s LYS 177 N -3.80 1.49 0.35 1.54 -0.14 -1.26 -4.97 119.74 112.95 3mnx s LYS 177 Ca 0.58 -1.74 0.26 0.00 -1.36 0.00 0.00 55.97 53.71 3mnx s LYS 177 Cb -0.10 -1.08 1.22 0.00 -1.68 0.00 0.00 37.83 36.20 3mnx s LYS 177 CO 0.27 0.04 1.79 -0.97 -0.76 0.00 0.00 175.35 175.72 3mnx h ASN 178 N 2.35 0.00 -0.06 2.83 -1.24 -1.99 -1.74 115.58 115.73 3mnx h ASN 178 Ca -0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.62 3mnx h ASN 178 Cb 1.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.28 3mnx h ASN 178 CO 0.66 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 175.26 3mnx n SER 179 N -2.43 0.36 -4.38 1.15 3.41 -1.26 -4.83 113.62 105.64 3mnx n SER 179 Ca 0.00 -2.00 -0.22 0.00 -0.26 0.00 0.00 58.87 56.39 3mnx n SER 179 Cb 0.16 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 3mnx n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3mnx s MET 180 N -1.89 1.41 -0.03 4.33 -1.94 -0.65 -1.11 119.30 119.41 3mnx s MET 180 Ca 0.04 -1.56 0.06 0.00 -1.71 0.00 0.00 55.69 52.52 3mnx s MET 180 Cb 0.02 -1.43 -0.02 0.00 2.01 0.00 0.00 34.83 35.41 3mnx s MET 180 CO 0.03 0.27 -0.20 0.08 -0.01 0.00 0.00 175.02 175.19 3mnx s VAL 181 N -2.41 2.58 0.02 -6.03 1.01 0.17 -4.71 120.40 111.04 3mnx s VAL 181 Ca 0.22 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3mnx s VAL 181 Cb -0.04 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3mnx s VAL 181 CO 0.09 0.57 -0.10 0.00 0.00 0.00 0.00 175.10 175.66 3mnx s ALA 183 N -0.98 -0.97 0.00 0.00 0.00 -0.65 -0.98 121.76 118.18 3mnx s ALA 183 Ca 0.17 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3mnx s ALA 183 Cb -0.11 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.43 3mnx s ALA 183 CO 0.07 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.05 3mnx n GLY 184 N 2.72 0.98 1.44 0.00 0.00 0.12 -1.53 105.19 108.92 3mnx n GLY 184 Ca -0.14 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3mnx n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mnx n GLY 185 N 0.00 0.62 0.00 -0.02 0.00 -1.26 -4.68 105.19 99.85 3mnx n GLY 185 Ca 0.00 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.01 3mnx n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mnx n ASP 186 N 0.29 0.00 0.00 1.61 3.85 -1.26 -1.55 116.55 119.49 3mnx n ASP 186 Ca 0.00 0.08 0.00 0.00 -0.71 0.00 0.00 54.79 54.16 3mnx n ASP 186 Cb 0.00 -0.36 0.00 0.00 -1.35 0.00 0.00 41.12 39.41 3mnx n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mnx n GLY 187 N 1.36 1.41 0.36 6.12 0.00 -1.26 -4.78 105.19 108.41 3mnx n GLY 187 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 3mnx n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mnx n VAL 188 N -2.00 0.22 -4.80 1.61 0.31 -1.26 -4.65 118.33 107.76 3mnx n VAL 188 Ca 0.00 -0.07 -0.33 0.00 -0.01 0.00 0.00 64.34 63.93 3mnx n VAL 188 Cb 0.00 -1.01 -0.13 0.00 -0.91 0.00 0.00 33.84 31.80 3mnx n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3mnx s ARG 188 N -2.08 2.65 -0.18 5.55 0.52 -1.26 -3.87 118.95 120.29 3mnx s ARG 188 Ca -0.05 -0.65 -0.30 0.00 -0.52 0.00 0.00 55.73 54.20 3mnx s ARG 188 Cb 0.02 -2.47 0.14 0.00 0.52 0.00 0.00 34.95 33.16 3mnx s ARG 188 CO 0.08 0.60 1.08 0.45 0.02 0.00 0.00 175.30 177.53 3mnx s SER 189 N -0.66 -0.28 1.09 0.23 0.15 -0.78 -4.34 113.70 109.10 3mnx s SER 189 Ca 0.10 0.28 -0.12 0.00 0.70 0.00 0.00 55.95 56.90 3mnx s SER 189 Cb -0.11 0.24 0.24 0.00 -1.71 0.00 0.00 66.02 64.68 3mnx s SER 189 CO 0.01 -0.29 1.06 -0.83 1.20 0.00 0.00 173.24 174.39 3mnx s GLY 190 N -1.24 1.56 0.00 9.45 0.00 -1.26 -0.71 107.32 115.12 3mnx s GLY 190 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.60 3mnx s GLY 190 CO -0.01 0.52 0.00 0.00 0.00 0.00 0.00 173.10 173.60 3mnx s GLN 192 N -1.27 4.32 0.00 0.00 1.11 -1.26 -1.94 119.66 120.62 3mnx s GLN 192 Ca 0.00 2.06 0.00 0.00 0.01 0.00 0.00 55.36 57.43 3mnx s GLN 192 Cb 0.00 -3.29 0.00 0.00 -1.01 0.00 0.00 33.01 28.71 3mnx s GLN 192 CO 0.00 -0.45 0.00 0.41 0.01 0.00 0.00 175.29 175.26 3mnx n GLY 193 N 3.51 1.62 0.06 3.09 0.00 -1.26 -0.92 105.19 111.30 3mnx n GLY 193 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3mnx n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mnx n ASP 194 N 0.00 0.69 -4.57 1.61 8.00 -0.82 -3.82 116.55 117.64 3mnx n ASP 194 Ca 0.00 0.06 -0.46 0.00 0.71 0.00 0.00 54.79 55.10 3mnx n ASP 194 Cb 0.00 0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 41.49 3mnx n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mnx n SER 195 N -2.16 1.05 0.00 -2.24 7.64 -1.25 -1.74 113.62 114.92 3mnx n SER 195 Ca 0.02 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.07 3mnx n SER 195 Cb 0.46 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 3mnx n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mnx n GLY 196 N 1.45 2.76 3.94 0.23 0.00 0.18 -0.63 105.19 113.11 3mnx n GLY 196 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3mnx n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mnx s GLY 197 N -1.82 1.73 0.34 -0.02 0.00 -0.71 -3.34 107.32 103.51 3mnx s GLY 197 Ca 0.00 -1.16 -0.15 0.00 0.00 0.00 0.00 44.72 43.41 3mnx s GLY 197 CO 0.00 -0.54 0.76 2.56 0.00 0.00 0.00 173.10 175.88 3mnx s PRO 198 N -5.59 4.01 -0.29 2.90 0.04 -1.26 -0.92 135.00 133.89 3mnx s PRO 198 Ca 0.68 0.70 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 3mnx s PRO 198 Cb -0.06 -2.40 -0.00 0.00 0.04 0.00 0.00 34.50 32.07 3mnx s PRO 198 CO 0.49 0.12 0.09 -1.17 0.04 0.00 0.00 177.00 176.57 3mnx s LEU 199 N -3.08 3.78 -0.24 -3.56 2.96 -0.39 -3.26 118.68 114.90 3mnx s LEU 199 Ca 0.55 -0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 53.78 3mnx s LEU 199 Cb -0.10 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 3mnx s LEU 199 CO 0.18 -0.16 0.18 -1.00 -1.32 0.00 0.00 176.35 174.23 3mnx s HIS 200 N 1.54 3.31 -0.03 5.38 3.76 0.03 -0.98 115.29 128.30 3mnx s HIS 200 Ca 0.04 0.23 0.05 0.00 -0.15 0.00 0.00 55.06 55.23 3mnx s HIS 200 Cb -0.17 -2.30 -0.01 0.00 1.11 0.00 0.00 32.58 31.21 3mnx s HIS 200 CO 0.03 0.03 -0.18 0.00 -0.85 0.00 0.00 174.74 173.77 3mnx s LEU 202 N -0.24 4.12 -0.06 0.00 2.96 -1.16 -1.63 118.68 122.68 3mnx s LEU 202 Ca 0.02 0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 54.36 3mnx s LEU 202 Cb -0.09 -3.04 0.03 0.00 0.50 0.00 0.00 46.19 43.59 3mnx s LEU 202 CO 0.01 -0.71 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.63 3mnx s VAL 203 N 3.07 0.40 -1.60 1.68 1.01 0.05 -4.80 120.40 120.21 3mnx s VAL 203 Ca 0.32 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.20 3mnx s VAL 203 Cb -0.13 -0.52 0.11 0.00 0.00 0.00 0.00 36.38 35.84 3mnx s VAL 203 CO 0.16 0.24 0.86 0.59 0.00 0.00 0.00 175.10 176.95 3mnx n ASN 204 N 4.75 -3.80 0.00 3.32 3.02 -1.26 -1.92 115.26 119.37 3mnx n ASN 204 Ca -0.14 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 3mnx n ASN 204 Cb 0.50 -3.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.35 3mnx n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mnx n GLY 205 N -1.57 1.53 3.34 7.41 0.00 -1.26 -5.02 105.19 109.62 3mnx n GLY 205 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3mnx n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mnx s GLN 206 N -0.34 1.81 0.13 1.61 -1.52 -0.81 -5.10 119.66 115.44 3mnx s GLN 206 Ca 0.00 -1.10 -0.30 0.00 -1.95 0.00 0.00 55.36 52.02 3mnx s GLN 206 Cb 0.00 -1.97 -0.06 0.00 -0.22 0.00 0.00 33.01 30.76 3mnx s GLN 206 CO 0.00 0.51 0.95 0.71 -0.25 0.00 0.00 175.29 177.21 3mnx s TYR 207 N -0.79 3.84 0.11 0.91 2.02 -1.26 -0.77 117.35 121.40 3mnx s TYR 207 Ca 0.12 1.80 0.04 0.00 -0.37 0.00 0.00 57.07 58.66 3mnx s TYR 207 Cb -0.10 -3.03 -0.04 0.00 -0.40 0.00 0.00 41.96 38.39 3mnx s TYR 207 CO 0.02 0.25 -0.11 0.00 -1.57 0.00 0.00 175.55 174.14 3mnx s ALA 208 N -0.18 1.26 -0.57 3.71 0.00 -0.65 -4.71 121.76 120.62 3mnx s ALA 208 Ca 0.46 -1.29 -0.23 0.00 0.00 0.00 0.00 51.96 50.90 3mnx s ALA 208 Cb -0.24 0.02 0.05 0.00 0.00 0.00 0.00 23.12 22.96 3mnx s ALA 208 CO 0.30 -0.04 0.91 0.08 0.00 0.00 0.00 175.76 177.01 3mnx s VAL 209 N -2.67 4.43 -0.43 0.00 1.01 0.08 -0.81 120.40 122.01 3mnx s VAL 209 Ca 0.09 0.05 0.22 0.00 0.00 0.00 0.00 61.98 62.34 3mnx s VAL 209 Cb -0.01 -4.54 -0.18 0.00 0.00 0.00 0.00 36.38 31.65 3mnx s VAL 209 CO 0.00 -1.15 0.85 1.41 0.00 0.00 0.00 175.10 176.22 3mnx n HIS 210 N 7.36 0.26 -4.03 5.22 8.25 -0.15 -4.24 115.22 127.89 3mnx n HIS 210 Ca -0.00 0.07 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 3mnx n HIS 210 Cb 0.47 -0.48 -0.11 0.00 1.12 0.00 0.00 29.99 30.99 3mnx n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3mnx s GLY 211 N -3.93 0.35 -0.20 -1.41 0.00 -1.15 -1.62 107.32 99.36 3mnx s GLY 211 Ca 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 44.72 43.90 3mnx s GLY 211 CO 0.84 -0.90 -0.14 0.14 0.00 0.00 0.00 173.10 173.04 3mnx s VAL 212 N -2.26 2.54 0.12 1.40 1.01 -0.67 -1.26 120.40 121.27 3mnx s VAL 212 Ca -0.08 -0.81 -0.32 0.00 0.00 0.00 0.00 61.98 60.78 3mnx s VAL 212 Cb -0.04 -2.12 -0.11 0.00 0.00 0.00 0.00 36.38 34.11 3mnx s VAL 212 CO -0.04 0.47 1.81 0.41 0.00 0.00 0.00 175.10 177.76 3mnx n THR 213 N 4.68 0.33 -0.00 3.92 -1.04 -0.09 -0.38 114.28 121.70 3mnx n THR 213 Ca -0.20 -0.06 -0.04 0.00 -2.04 0.00 0.00 64.05 61.72 3mnx n THR 213 Cb 0.50 -2.05 -0.01 0.00 -1.82 0.00 0.00 70.33 66.95 3mnx n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3mnx n SER 214 N 5.42 0.86 -3.62 8.00 2.88 -0.06 -0.65 113.62 126.44 3mnx n SER 214 Ca 0.18 0.13 -0.11 0.00 -1.33 0.00 0.00 58.87 57.74 3mnx n SER 214 Cb 0.36 -0.30 -0.04 0.00 -0.75 0.00 0.00 64.21 63.48 3mnx n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3mnx s PHE 215 N -2.14 -0.25 0.36 0.66 -0.71 -0.78 -4.95 117.98 110.17 3mnx s PHE 215 Ca -0.07 -0.05 0.04 0.00 -1.04 0.00 0.00 56.93 55.81 3mnx s PHE 215 Cb 0.02 0.37 -0.05 0.00 -1.21 0.00 0.00 43.02 42.15 3mnx s PHE 215 CO 0.09 -0.80 0.07 0.14 -1.34 0.00 0.00 175.22 173.38 3mnx s VAL 216 N -3.81 1.06 0.53 -2.49 -7.23 -1.26 -1.13 120.40 106.07 3mnx s VAL 216 Ca 0.04 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.01 3mnx s VAL 216 Cb 0.00 -2.64 -0.06 0.00 0.56 0.00 0.00 36.38 34.25 3mnx s VAL 216 CO -0.09 0.00 1.19 -0.94 -0.31 0.00 0.00 175.10 174.95 3mnx s SER 217 N -3.56 5.68 0.50 4.85 1.04 -1.25 -4.90 113.70 116.07 3mnx s SER 217 Ca 0.31 2.35 0.23 0.00 0.48 0.00 0.00 55.95 59.32 3mnx s SER 217 Cb 0.07 -2.60 1.34 0.00 0.10 0.00 0.00 66.02 64.92 3mnx s SER 217 CO 0.14 -1.26 2.07 0.03 0.98 0.00 0.00 173.24 175.21 3mnx h ARG 217 N 1.45 0.00 -0.51 4.02 3.08 -2.00 -2.93 114.38 117.49 3mnx h ARG 217 Ca -0.50 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.43 3mnx h ARG 217 Cb 1.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 3mnx h ARG 217 CO 0.58 0.13 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.39 3mnx h LEU 218 N 0.00 1.00 -7.00 3.04 3.38 -2.04 -3.48 115.31 110.21 3mnx h LEU 218 Ca -0.00 -0.34 0.39 0.00 0.09 0.00 0.00 57.88 58.02 3mnx h LEU 218 Cb 0.29 -0.27 -0.15 0.00 0.09 0.00 0.00 40.66 40.62 3mnx h LEU 218 CO 0.02 1.13 1.00 -0.83 0.09 0.00 0.00 178.44 179.84 3mnx s GLY 219 N -3.70 -0.48 -0.04 0.83 0.00 -1.11 -5.07 107.32 97.76 3mnx s GLY 219 Ca -0.11 1.07 -0.10 0.00 0.00 0.00 0.00 44.72 45.58 3mnx s GLY 219 CO 0.86 0.22 0.47 0.00 0.00 0.00 0.00 173.10 174.65 3mnx s ASN 221 N -4.54 6.72 -0.09 0.00 4.22 -1.26 -4.68 114.94 115.30 3mnx s ASN 221 Ca -0.05 -2.39 0.03 0.00 -2.14 0.00 0.00 52.86 48.32 3mnx s ASN 221 Cb 0.01 -2.31 0.00 0.00 1.28 0.00 0.00 41.25 40.23 3mnx s ASN 221 CO 0.15 -0.82 -0.21 -0.69 -2.04 0.00 0.00 177.10 173.49 3mnx s VAL 221 N 1.47 1.82 0.27 3.54 1.01 -1.26 -4.71 120.40 122.55 3mnx s VAL 221 Ca 0.27 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 3mnx s VAL 221 Cb -0.07 -1.59 -0.11 0.00 0.00 0.00 0.00 36.38 34.61 3mnx s VAL 221 CO -0.09 0.51 1.58 -0.89 0.00 0.00 0.00 175.10 176.21 3mnx s THR 222 N 0.45 2.17 -1.51 3.92 2.01 -1.26 -1.76 115.64 119.66 3mnx s THR 222 Ca -0.17 0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.97 3mnx s THR 222 Cb -0.17 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.25 3mnx s THR 222 CO 0.07 0.02 0.00 0.54 -0.69 0.00 0.00 174.62 174.56 3mnx n ARG 223 N 2.44 -1.04 -3.42 4.92 1.74 -0.59 -4.93 116.66 115.78 3mnx n ARG 223 Ca 0.09 0.97 -0.26 0.00 -0.77 0.00 0.00 57.85 57.88 3mnx n ARG 223 Cb 0.38 -5.12 -0.09 0.00 -1.02 0.00 0.00 32.46 26.61 3mnx n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mnx n LYS 224 N -2.55 1.45 -1.11 5.56 4.76 -0.72 -4.19 118.16 121.35 3mnx n LYS 224 Ca -0.15 -3.93 -0.33 0.00 -2.87 0.00 0.00 58.31 51.03 3mnx n LYS 224 Cb 0.51 -1.82 0.13 0.00 -1.84 0.00 0.00 35.03 32.00 3mnx n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3mnx s PRO 225 N -1.49 1.65 0.38 1.97 0.04 -1.26 -4.55 135.00 131.74 3mnx s PRO 225 Ca 0.35 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 62.81 3mnx s PRO 225 Cb 0.11 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.77 3mnx s PRO 225 CO -0.10 -2.19 1.36 0.99 0.04 0.00 0.00 177.00 177.11 3mnx s THR 226 N -2.24 2.45 -0.10 1.26 2.01 -0.58 -4.74 115.64 113.69 3mnx s THR 226 Ca 0.72 0.43 0.00 0.00 0.31 0.00 0.00 61.69 63.15 3mnx s THR 226 Cb -0.27 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 3mnx s THR 226 CO 0.51 0.09 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.74 3mnx s VAL 227 N -1.18 3.38 0.06 3.82 1.01 -0.28 -1.64 120.40 125.58 3mnx s VAL 227 Ca 0.54 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.03 3mnx s VAL 227 Cb -0.41 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3mnx s VAL 227 CO 0.54 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 175.62 3mnx s PHE 228 N -0.13 1.86 0.21 5.22 0.08 0.62 -0.89 117.98 124.95 3mnx s PHE 228 Ca 0.00 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.36 3mnx s PHE 228 Cb -0.13 -1.08 -0.09 0.00 -0.57 0.00 0.00 43.02 41.14 3mnx s PHE 228 CO 0.03 0.13 1.43 0.99 -0.10 0.00 0.00 175.22 177.70 3mnx s THR 229 N -0.90 2.86 -0.52 0.64 2.01 0.49 -0.65 115.64 119.57 3mnx s THR 229 Ca 0.08 0.68 -0.27 0.00 0.31 0.00 0.00 61.69 62.49 3mnx s THR 229 Cb -0.09 -3.44 0.03 0.00 0.01 0.00 0.00 72.50 69.01 3mnx s THR 229 CO 0.03 0.09 1.05 -0.60 -0.69 0.00 0.00 174.62 174.50 3mnx s ARG 230 N 0.14 3.53 0.33 4.92 3.52 -0.27 -1.67 118.95 129.45 3mnx s ARG 230 Ca 0.61 0.19 0.03 0.00 -0.13 0.00 0.00 55.73 56.42 3mnx s ARG 230 Cb -0.40 -3.97 0.62 0.00 -1.56 0.00 0.00 34.95 29.63 3mnx s ARG 230 CO 0.38 -1.44 1.96 0.28 -0.81 0.00 0.00 175.30 175.67 3mnx h VAL 231 N 6.13 1.09 0.00 7.11 2.07 -1.60 -1.88 116.25 129.16 3mnx h VAL 231 Ca -0.24 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3mnx h VAL 231 Cb 1.07 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3mnx h VAL 231 CO 1.11 0.17 0.00 -1.54 0.02 0.00 0.00 177.57 177.32 3mnx n SER 232 N -4.46 0.21 -0.00 0.57 3.41 -1.26 -0.86 113.62 111.23 3mnx n SER 232 Ca 0.10 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 3mnx n SER 232 Cb 0.15 -0.61 0.51 0.00 -0.26 0.00 0.00 64.21 64.00 3mnx n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mnx n ALA 233 N -1.59 2.72 -0.61 7.33 0.00 -0.71 -1.54 120.51 126.11 3mnx n ALA 233 Ca 0.02 -0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.32 3mnx n ALA 233 Cb 0.12 -1.36 0.06 0.00 0.00 0.00 0.00 19.45 18.27 3mnx n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mnx n TYR 234 N -1.49 0.00 -0.12 0.00 4.02 -0.04 -4.80 117.16 114.73 3mnx n TYR 234 Ca 0.07 -0.65 -0.08 0.00 -0.01 0.00 0.00 57.90 57.23 3mnx n TYR 234 Cb 0.34 -0.09 0.01 0.00 -0.02 0.00 0.00 39.34 39.57 3mnx n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3mnx h ILE 235 N 0.55 1.07 -0.62 -0.72 1.08 -1.72 -0.14 117.51 117.00 3mnx h ILE 235 Ca 0.00 -0.17 -0.05 0.00 -0.39 0.00 0.00 64.86 64.25 3mnx h ILE 235 Cb 0.79 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 3mnx h ILE 235 CO 0.00 0.09 0.21 0.77 -0.69 0.00 0.00 178.15 178.53 3mnx h SER 236 N 0.50 0.89 -0.08 1.72 4.64 -1.92 -1.39 113.55 117.92 3mnx h SER 236 Ca 0.15 -0.20 0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3mnx h SER 236 Cb -0.02 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.80 3mnx h SER 236 CO -0.05 0.85 -0.10 -0.25 -0.87 0.00 0.00 176.83 176.41 3mnx h TRP 237 N 0.89 -0.24 -0.29 4.77 7.01 -1.79 0.34 115.95 126.64 3mnx h TRP 237 Ca 0.20 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.23 3mnx h TRP 237 Cb 0.27 0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 3mnx h TRP 237 CO 0.02 -0.15 0.16 0.82 -2.79 0.00 0.00 178.44 176.50 3mnx h ILE 238 N -0.13 1.02 -0.70 2.65 2.04 -0.84 -1.18 117.51 120.38 3mnx h ILE 238 Ca 0.07 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 3mnx h ILE 238 Cb 0.22 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3mnx h ILE 238 CO -0.16 0.06 0.21 0.78 0.00 0.00 0.00 178.15 179.04 3mnx h ASN 239 N 0.33 1.02 -0.63 1.72 2.35 -1.05 -1.67 115.58 117.65 3mnx h ASN 239 Ca 0.11 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 3mnx h ASN 239 Cb 0.00 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 3mnx h ASN 239 CO -0.06 0.96 0.12 0.78 -1.65 0.00 0.00 177.43 177.58 3mnx h ASN 240 N 1.05 0.99 -0.07 5.81 2.35 -0.43 -1.31 115.58 123.97 3mnx h ASN 240 Ca 0.23 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3mnx h ASN 240 Cb 0.31 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 3mnx h ASN 240 CO -0.01 0.99 0.01 0.58 -1.65 0.00 0.00 177.43 177.35 3mnx h VAL 241 N 0.95 1.23 -0.66 2.81 2.07 -0.94 -2.46 116.25 119.25 3mnx h VAL 241 Ca 0.19 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 3mnx h VAL 241 Cb 0.41 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3mnx h VAL 241 CO 0.01 0.20 0.25 0.40 0.02 0.00 0.00 177.57 178.45 3mnx h ILE 242 N -0.14 1.23 0.00 4.57 2.04 -1.22 -2.42 117.51 121.57 3mnx h ILE 242 Ca 0.02 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3mnx h ILE 242 Cb 0.31 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3mnx h ILE 242 CO 0.00 0.30 -0.20 0.00 0.00 0.00 0.00 178.15 178.25 3mnx h ALA 243 N 1.31 1.05 0.00 1.87 0.00 -1.21 -2.95 119.26 119.33 3mnx h ALA 243 Ca 0.22 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 3mnx h ALA 243 Cb 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3mnx h ALA 243 CO -0.02 0.25 -1.11 0.77 0.00 0.00 0.00 179.25 179.14 3mnx h SER 244 N 0.00 0.00 -0.02 0.00 0.02 -1.02 -3.51 113.55 109.02 3mnx h SER 244 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mnx h SER 244 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3mnx h SER 244 CO 0.03 0.67 0.00 0.59 -1.14 0.00 0.00 176.83 176.97