#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mu0 s VAL 17 N 0.00 4.91 -1.09 2.52 1.01 0.12 -4.19 120.40 123.68 3mu0 s VAL 17 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3mu0 s VAL 17 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3mu0 s VAL 17 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3mu0 n GLY 18 N 2.34 0.11 3.99 4.51 0.00 -1.25 -1.88 105.19 113.00 3mu0 n GLY 18 Ca -0.08 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 3mu0 n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mu0 s GLY 19 N -2.52 1.76 0.16 -0.02 0.00 -1.26 -4.81 107.32 100.63 3mu0 s GLY 19 Ca 0.00 -1.78 0.07 0.00 0.00 0.00 0.00 44.72 43.01 3mu0 s GLY 19 CO 0.00 -1.13 -0.14 -0.51 0.00 0.00 0.00 173.10 171.32 3mu0 s THR 20 N -3.29 1.53 0.05 0.90 -4.23 0.13 -4.91 115.64 105.81 3mu0 s THR 20 Ca 0.69 -1.97 -0.31 0.00 -1.18 0.00 0.00 61.69 58.93 3mu0 s THR 20 Cb -0.04 -1.80 -0.06 0.00 1.34 0.00 0.00 72.50 71.94 3mu0 s THR 20 CO 0.46 -0.51 1.34 -0.70 -0.54 0.00 0.00 174.62 174.67 3mu0 s GLU 21 N -3.17 4.33 0.49 3.99 2.12 -1.26 -0.62 118.70 124.58 3mu0 s GLU 21 Ca 0.16 1.93 -0.22 0.00 0.36 0.00 0.00 54.97 57.20 3mu0 s GLU 21 Cb -0.03 -3.42 -0.07 0.00 0.26 0.00 0.00 34.13 30.88 3mu0 s GLU 21 CO 0.05 -0.45 1.15 0.00 -0.54 0.00 0.00 175.26 175.46 3mu0 s ALA 22 N 1.68 2.88 0.56 6.30 0.00 -0.14 -4.86 121.76 128.17 3mu0 s ALA 22 Ca 0.62 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 53.26 3mu0 s ALA 22 Cb -0.32 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 3mu0 s ALA 22 CO 0.28 -0.68 1.25 -0.65 0.00 0.00 0.00 175.76 175.96 3mu0 s GLN 23 N -2.91 3.13 0.25 0.00 -1.52 -1.26 -4.89 119.66 112.46 3mu0 s GLN 23 Ca 0.67 1.95 0.24 0.00 -1.95 0.00 0.00 55.36 56.27 3mu0 s GLN 23 Cb -0.26 -2.10 0.94 0.00 -0.22 0.00 0.00 33.01 31.37 3mu0 s GLN 23 CO 0.31 -1.11 1.73 2.89 -0.25 0.00 0.00 175.29 178.86 3mu0 n ARG 24 N -1.25 0.21 -0.33 2.91 1.85 -1.26 -2.17 116.66 116.62 3mu0 n ARG 24 Ca 0.12 0.37 0.07 0.00 -1.00 0.00 0.00 57.85 57.41 3mu0 n ARG 24 Cb 0.48 -1.85 0.21 0.00 -1.05 0.00 0.00 32.46 30.25 3mu0 n ARG 24 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3mu0 n ASN 25 N -2.24 3.46 0.00 2.89 6.94 -1.26 -4.71 115.26 120.35 3mu0 n ASN 25 Ca 0.03 -2.55 -0.14 0.00 -0.02 0.00 0.00 54.58 51.90 3mu0 n ASN 25 Cb 0.28 -0.40 -0.03 0.00 -2.36 0.00 0.00 39.78 37.27 3mu0 n ASN 25 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3mu0 h SER 26 N 1.92 0.77 -2.10 0.53 0.02 -1.77 -3.40 113.55 109.53 3mu0 h SER 26 Ca 0.00 -0.50 -0.56 0.00 -0.84 0.00 0.00 61.79 59.89 3mu0 h SER 26 Cb 1.12 -0.23 -0.41 0.00 0.14 0.00 0.00 62.40 63.03 3mu0 h SER 26 CO 0.12 1.28 -0.90 0.79 -1.14 0.00 0.00 176.83 176.98 3mu0 n TRP 27 N -3.90 1.59 0.70 3.45 7.02 -1.26 -4.95 117.44 120.08 3mu0 n TRP 27 Ca -0.06 -3.85 0.08 0.00 -1.02 0.00 0.00 57.50 52.64 3mu0 n TRP 27 Cb 0.73 -0.45 0.38 0.00 -2.42 0.00 0.00 31.31 29.55 3mu0 n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3mu0 n PRO 28 N 0.80 0.18 0.00 -0.99 -0.04 -1.26 -1.80 135.00 131.88 3mu0 n PRO 28 Ca 0.26 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 3mu0 n PRO 28 Cb 0.50 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.73 3mu0 n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mu0 n SER 29 N -1.33 0.99 -4.74 3.54 3.41 -1.22 -1.76 113.62 112.50 3mu0 n SER 29 Ca 0.07 -0.79 -0.41 0.00 -0.26 0.00 0.00 58.87 57.48 3mu0 n SER 29 Cb 0.14 0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 3mu0 n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3mu0 s GLN 30 N -2.67 4.37 0.22 4.33 2.00 -0.75 -1.06 119.66 126.11 3mu0 s GLN 30 Ca 0.19 2.10 0.09 0.00 -2.00 0.00 0.00 55.36 55.74 3mu0 s GLN 30 Cb 0.18 -3.17 -0.05 0.00 0.80 0.00 0.00 33.01 30.78 3mu0 s GLN 30 CO 0.60 -0.27 -0.16 0.96 -0.50 0.00 0.00 175.29 175.92 3mu0 s ILE 31 N -0.04 1.94 -0.22 -2.34 -5.25 -0.52 -4.50 121.20 110.27 3mu0 s ILE 31 Ca 0.56 -2.26 -0.06 0.00 -0.99 0.00 0.00 60.65 57.91 3mu0 s ILE 31 Cb -0.38 -2.11 -0.03 0.00 2.95 0.00 0.00 42.46 42.90 3mu0 s ILE 31 CO 0.40 -0.54 0.03 -0.55 -1.79 0.00 0.00 174.94 172.50 3mu0 s SER 32 N -3.35 4.99 -0.21 4.36 0.15 -0.59 -2.74 113.70 116.31 3mu0 s SER 32 Ca 0.24 -0.19 -0.16 0.00 0.70 0.00 0.00 55.95 56.55 3mu0 s SER 32 Cb -0.02 -1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 62.38 3mu0 s SER 32 CO 0.09 0.03 0.39 -0.22 1.20 0.00 0.00 173.24 174.73 3mu0 s LEU 33 N 1.19 4.13 0.13 3.45 2.96 0.45 -0.91 118.68 130.08 3mu0 s LEU 33 Ca 0.04 0.47 0.07 0.00 -0.22 0.00 0.00 54.13 54.48 3mu0 s LEU 33 Cb -0.14 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 3mu0 s LEU 33 CO 0.02 -0.09 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.70 3mu0 s GLN 34 N 1.43 1.10 0.19 1.98 -0.21 -0.16 -0.96 119.66 123.03 3mu0 s GLN 34 Ca 0.18 -1.26 0.10 0.00 0.02 0.00 0.00 55.36 54.40 3mu0 s GLN 34 Cb -0.15 -1.11 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 3mu0 s GLN 34 CO 0.08 0.23 -0.20 1.52 -2.12 0.00 0.00 175.29 174.80 3mu0 s TYR 35 N -1.89 2.02 0.01 0.91 1.13 -0.01 -0.92 117.35 118.61 3mu0 s TYR 35 Ca 0.10 -0.42 -0.30 0.00 -1.41 0.00 0.00 57.07 55.04 3mu0 s TYR 35 Cb -0.06 -0.99 -0.04 0.00 -1.10 0.00 0.00 41.96 39.77 3mu0 s TYR 35 CO 0.04 0.43 1.07 0.50 -2.51 0.00 0.00 175.55 175.08 3mu0 s ARG 36 N -2.85 4.49 -0.31 -3.49 3.52 -0.42 -0.83 118.95 119.06 3mu0 s ARG 36 Ca 0.19 1.55 -0.02 0.00 -0.13 0.00 0.00 55.73 57.33 3mu0 s ARG 36 Cb -0.06 -3.43 0.10 0.00 -1.56 0.00 0.00 34.95 30.00 3mu0 s ARG 36 CO 0.08 -0.16 0.12 0.45 -0.81 0.00 0.00 175.30 174.98 3mu0 s SER 36 N 1.06 3.82 1.88 -2.12 0.15 0.61 -4.79 113.70 114.30 3mu0 s SER 36 Ca 0.54 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.60 3mu0 s SER 36 Cb -0.24 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.38 3mu0 s SER 36 CO 0.27 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3mu0 n GLY 36 N 4.89 3.97 1.26 9.45 0.00 -1.26 -0.76 105.19 122.74 3mu0 n GLY 36 Ca -0.02 0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3mu0 n GLY 36 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mu0 n SER 36 N 8.86 3.67 -3.64 1.61 2.88 -1.26 -4.96 113.62 120.79 3mu0 n SER 36 Ca 0.00 -2.15 -0.23 0.00 -1.33 0.00 0.00 58.87 55.16 3mu0 n SER 36 Cb 0.00 -0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 62.92 3mu0 n SER 36 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3mu0 n SER 37 N 1.19 0.67 -4.34 -3.46 2.88 0.06 -5.16 113.62 105.47 3mu0 n SER 37 Ca 0.21 -3.13 -0.30 0.00 -1.33 0.00 0.00 58.87 54.32 3mu0 n SER 37 Cb 0.63 1.19 -0.15 0.00 -0.75 0.00 0.00 64.21 65.13 3mu0 n SER 37 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3mu0 s TRP 38 N -3.13 2.31 -0.05 0.66 0.52 -1.26 -0.28 118.94 117.70 3mu0 s TRP 38 Ca 0.26 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 56.00 3mu0 s TRP 38 Cb 0.01 -1.40 0.00 0.00 -1.15 0.00 0.00 33.47 30.93 3mu0 s TRP 38 CO 0.18 0.10 -0.16 0.00 0.02 0.00 0.00 176.95 177.09 3mu0 s ALA 39 N -0.77 1.46 0.26 0.98 0.00 -0.01 -4.90 121.76 118.78 3mu0 s ALA 39 Ca 0.11 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 3mu0 s ALA 39 Cb -0.10 -0.52 -0.10 0.00 0.00 0.00 0.00 23.12 22.40 3mu0 s ALA 39 CO 0.02 0.24 1.46 -1.58 0.00 0.00 0.00 175.76 175.89 3mu0 s HIS 40 N 0.18 2.97 0.00 0.00 2.46 -1.26 -0.83 115.29 118.81 3mu0 s HIS 40 Ca -0.07 1.01 0.00 0.00 0.47 0.00 0.00 55.06 56.47 3mu0 s HIS 40 Cb -0.12 -3.85 0.00 0.00 -0.13 0.00 0.00 32.58 28.47 3mu0 s HIS 40 CO 0.03 -2.77 0.00 -2.37 -2.47 0.00 0.00 174.74 167.15 3mu0 n THR 41 N 2.20 0.00 -3.84 0.89 5.66 -0.13 -4.91 114.28 114.15 3mu0 n THR 41 Ca 0.07 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.03 3mu0 n THR 41 Cb 0.40 -0.74 0.01 0.00 -1.55 0.00 0.00 70.33 68.45 3mu0 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mu0 n GLY 43 N -0.63 1.96 3.86 0.00 0.00 -0.00 -0.41 105.19 109.97 3mu0 n GLY 43 Ca -0.04 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.78 3mu0 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mu0 s GLY 44 N -3.97 -0.11 -0.08 -0.02 0.00 -1.11 -3.62 107.32 98.41 3mu0 s GLY 44 Ca 0.45 0.05 0.02 0.00 0.00 0.00 0.00 44.72 45.25 3mu0 s GLY 44 CO 0.29 3.11 -0.12 -1.59 0.00 0.00 0.00 173.10 174.79 3mu0 s THR 45 N -2.24 1.20 -0.13 0.90 2.01 -0.15 -1.44 115.64 115.79 3mu0 s THR 45 Ca 0.23 -0.50 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 3mu0 s THR 45 Cb -0.00 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 3mu0 s THR 45 CO 0.01 0.38 1.41 -0.22 -0.69 0.00 0.00 174.62 175.51 3mu0 s LEU 46 N 0.83 4.22 -0.01 4.42 2.96 -0.22 -0.71 118.68 130.17 3mu0 s LEU 46 Ca -0.11 1.87 0.07 0.00 -0.22 0.00 0.00 54.13 55.74 3mu0 s LEU 46 Cb -0.15 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.90 3mu0 s LEU 46 CO 0.02 -0.84 0.14 2.30 -1.32 0.00 0.00 176.35 176.65 3mu0 n ILE 47 N 5.46 0.00 -4.17 6.68 -5.35 -0.32 -0.08 119.36 121.58 3mu0 n ILE 47 Ca 0.15 -0.15 -0.11 0.00 -0.27 0.00 0.00 62.75 62.37 3mu0 n ILE 47 Cb 0.44 0.35 -0.10 0.00 -1.74 0.00 0.00 39.64 38.60 3mu0 n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3mu0 s ARG 48 N -2.45 1.13 0.61 6.28 1.81 -1.00 -4.75 118.95 120.59 3mu0 s ARG 48 Ca -0.02 -1.54 0.41 0.00 -1.72 0.00 0.00 55.73 52.85 3mu0 s ARG 48 Cb 0.04 0.27 2.12 0.00 -0.45 0.00 0.00 34.95 36.94 3mu0 s ARG 48 CO 0.27 -0.36 2.24 1.96 -0.68 0.00 0.00 175.30 178.73 3mu0 h GLN 49 N 2.67 0.00 0.00 3.54 4.20 -1.95 -2.50 115.11 121.07 3mu0 h GLN 49 Ca -0.35 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 3mu0 h GLN 49 Cb 1.23 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.99 3mu0 h GLN 49 CO 0.54 0.00 -0.28 0.27 -0.67 0.00 0.00 178.83 178.69 3mu0 n ASN 50 N -3.00 1.57 -3.88 1.46 6.94 -1.26 -1.26 115.26 115.83 3mu0 n ASN 50 Ca -0.02 -2.87 -0.14 0.00 -0.02 0.00 0.00 54.58 51.53 3mu0 n ASN 50 Cb 0.11 -0.38 -0.15 0.00 -2.36 0.00 0.00 39.78 37.01 3mu0 n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3mu0 s TRP 51 N -2.01 0.19 -0.02 -2.53 0.52 -0.94 -0.52 118.94 113.62 3mu0 s TRP 51 Ca 0.25 -0.01 0.08 0.00 0.02 0.00 0.00 56.10 56.44 3mu0 s TRP 51 Cb 0.23 -0.17 -0.02 0.00 -1.15 0.00 0.00 33.47 32.36 3mu0 s TRP 51 CO -0.01 -0.03 -0.26 0.08 0.02 0.00 0.00 176.95 176.75 3mu0 s VAL 52 N 0.22 2.05 -0.21 4.03 1.01 -0.22 -1.18 120.40 126.10 3mu0 s VAL 52 Ca -0.02 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 60.75 3mu0 s VAL 52 Cb -0.04 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3mu0 s VAL 52 CO -0.01 0.57 0.11 -0.32 0.00 0.00 0.00 175.10 175.45 3mu0 s MET 53 N -0.64 4.01 0.13 2.72 1.75 0.12 -0.51 119.30 126.87 3mu0 s MET 53 Ca 0.10 -0.31 0.02 0.00 -1.25 0.00 0.00 55.69 54.25 3mu0 s MET 53 Cb -0.10 -3.37 -0.01 0.00 2.84 0.00 0.00 34.83 34.19 3mu0 s MET 53 CO -0.01 0.16 0.13 -2.37 -0.65 0.00 0.00 175.02 172.27 3mu0 n THR 54 N 3.93 0.00 -3.07 10.11 5.66 -0.39 -0.98 114.28 129.55 3mu0 n THR 54 Ca -0.16 -0.88 -0.36 0.00 -3.05 0.00 0.00 64.05 59.60 3mu0 n THR 54 Cb 0.52 0.46 -0.06 0.00 -1.55 0.00 0.00 70.33 69.70 3mu0 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mu0 s ALA 55 N -2.42 3.39 0.27 1.79 0.00 -1.26 -1.11 121.76 122.43 3mu0 s ALA 55 Ca 0.14 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.27 3mu0 s ALA 55 Cb 0.01 -2.86 0.38 0.00 0.00 0.00 0.00 23.12 20.65 3mu0 s ALA 55 CO 0.10 0.31 1.92 0.00 0.00 0.00 0.00 175.76 178.09 3mu0 h ALA 56 N 3.37 1.38 0.00 0.00 0.00 -1.69 -2.44 119.26 119.87 3mu0 h ALA 56 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3mu0 h ALA 56 Cb 1.19 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3mu0 h ALA 56 CO 0.65 0.53 0.00 1.12 0.00 0.00 0.00 179.25 181.55 3mu0 h HIS 57 N 1.22 0.00 0.00 0.00 2.07 -1.92 -1.63 115.15 114.89 3mu0 h HIS 57 Ca 0.38 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.87 3mu0 h HIS 57 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 3mu0 h HIS 57 CO -0.00 0.00 -0.13 0.00 -3.07 0.00 0.00 177.93 174.73 3mu0 n VAL 59 N -3.28 2.24 -0.14 0.00 0.24 -0.62 -4.61 118.33 112.17 3mu0 n VAL 59 Ca 0.00 -2.45 -0.09 0.00 -2.04 0.00 0.00 64.34 59.76 3mu0 n VAL 59 Cb 0.38 -0.27 0.04 0.00 -1.47 0.00 0.00 33.84 32.53 3mu0 n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3mu0 h ASP 60 N 0.95 0.94 -4.04 -1.34 3.45 -1.47 -3.44 116.42 111.47 3mu0 h ASP 60 Ca 0.06 -0.33 -0.46 0.00 0.43 0.00 0.00 57.03 56.74 3mu0 h ASP 60 Cb 1.31 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 39.82 3mu0 h ASP 60 CO 0.17 1.10 0.36 -0.13 -1.57 0.00 0.00 179.24 179.17 3mu0 s ARG 61 N -4.72 4.12 -1.07 3.56 0.52 -1.26 -4.93 118.95 115.16 3mu0 s ARG 61 Ca -0.11 1.25 -0.08 0.00 -0.52 0.00 0.00 55.73 56.27 3mu0 s ARG 61 Cb 0.13 -2.24 -0.11 0.00 0.52 0.00 0.00 34.95 33.26 3mu0 s ARG 61 CO 0.86 -0.14 3.08 0.39 0.02 0.00 0.00 175.30 179.50 3mu0 n GLU 62 N -0.59 3.26 -3.31 3.54 -0.58 -1.26 -4.92 120.64 116.78 3mu0 n GLU 62 Ca 0.07 -2.02 -0.19 0.00 -0.42 0.00 0.00 57.16 54.60 3mu0 n GLU 62 Cb 0.53 -2.52 -0.01 0.00 -0.57 0.00 0.00 31.44 28.87 3mu0 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3mu0 s LEU 63 N -0.28 3.58 -0.26 -4.62 1.43 -1.26 -5.08 118.68 112.19 3mu0 s LEU 63 Ca 0.67 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 3mu0 s LEU 63 Cb 0.23 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 3mu0 s LEU 63 CO -0.06 -0.67 0.46 -0.89 0.23 0.00 0.00 176.35 175.43 3mu0 s THR 64 N -2.38 5.11 0.07 5.49 2.01 -1.26 -5.02 115.64 119.66 3mu0 s THR 64 Ca 0.51 0.78 0.05 0.00 0.31 0.00 0.00 61.69 63.33 3mu0 s THR 64 Cb -0.07 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 3mu0 s THR 64 CO 0.30 0.12 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.97 3mu0 s PHE 65 N 2.13 2.93 0.12 4.92 0.08 -1.26 -1.30 117.98 125.60 3mu0 s PHE 65 Ca 0.19 -0.04 0.03 0.00 0.12 0.00 0.00 56.93 57.23 3mu0 s PHE 65 Cb -0.16 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 3mu0 s PHE 65 CO 0.09 0.45 -0.08 -0.98 -0.10 0.00 0.00 175.22 174.60 3mu0 s ARG 65 N -2.06 0.94 -0.04 0.44 1.70 -0.09 -2.82 118.95 117.01 3mu0 s ARG 65 Ca 0.23 -1.39 0.02 0.00 -0.47 0.00 0.00 55.73 54.12 3mu0 s ARG 65 Cb -0.11 -0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 33.83 3mu0 s ARG 65 CO 0.15 0.03 -0.09 0.08 -1.08 0.00 0.00 175.30 174.39 3mu0 s VAL 66 N -3.47 3.54 -0.18 4.99 1.01 -0.10 -0.99 120.40 125.21 3mu0 s VAL 66 Ca 0.14 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3mu0 s VAL 66 Cb 0.04 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3mu0 s VAL 66 CO -0.02 0.53 -0.19 -0.69 0.00 0.00 0.00 175.10 174.73 3mu0 s VAL 67 N -0.86 2.20 0.18 2.92 1.01 -0.09 -1.21 120.40 124.55 3mu0 s VAL 67 Ca 0.14 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.27 3mu0 s VAL 67 Cb -0.11 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3mu0 s VAL 67 CO 0.03 0.53 0.15 0.68 0.00 0.00 0.00 175.10 176.49 3mu0 s VAL 68 N 1.20 4.51 -1.06 2.92 -7.23 -0.56 -1.53 120.40 118.65 3mu0 s VAL 68 Ca 0.03 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 3mu0 s VAL 68 Cb -0.14 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.48 3mu0 s VAL 68 CO -0.10 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 3mu0 n GLY 69 N -0.48 0.36 3.84 2.32 0.00 -1.25 -1.26 105.19 108.73 3mu0 n GLY 69 Ca -0.08 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 3mu0 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mu0 s GLU 70 N -4.03 3.88 0.05 1.61 2.56 -1.26 -3.34 118.70 118.17 3mu0 s GLU 70 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 54.97 55.33 3mu0 s GLU 70 Cb 0.00 -3.15 0.00 0.00 2.00 0.00 0.00 34.13 32.98 3mu0 s GLU 70 CO 0.00 0.65 0.00 1.58 -0.56 0.00 0.00 175.26 176.93 3mu0 n HIS 71 N 1.54 -0.27 -3.89 5.30 -0.00 -1.26 -4.94 115.22 111.71 3mu0 n HIS 71 Ca -0.12 0.05 -0.35 0.00 -0.00 0.00 0.00 57.72 57.29 3mu0 n HIS 71 Cb 0.52 0.19 -0.14 0.00 -0.00 0.00 0.00 29.99 30.57 3mu0 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3mu0 s ASN 72 N -5.18 4.51 0.55 0.26 3.84 -1.26 -1.45 114.94 116.21 3mu0 s ASN 72 Ca 0.00 -0.63 0.30 0.00 0.21 0.00 0.00 52.86 52.73 3mu0 s ASN 72 Cb 0.00 -1.75 1.63 0.00 -0.55 0.00 0.00 41.25 40.58 3mu0 s ASN 72 CO 0.00 -0.10 2.14 -0.07 -2.79 0.00 0.00 177.10 176.28 3mu0 h LEU 73 N 8.11 0.00 -0.38 3.21 3.38 -1.13 -3.10 115.31 125.40 3mu0 h LEU 73 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3mu0 h LEU 73 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3mu0 h LEU 73 CO 0.59 0.07 -0.47 -0.46 0.09 0.00 0.00 178.44 178.27 3mu0 n ASN 74 N -3.60 1.01 -4.36 -0.43 6.94 -1.26 -5.00 115.26 108.56 3mu0 n ASN 74 Ca -0.02 -1.00 -0.28 0.00 -0.02 0.00 0.00 54.58 53.26 3mu0 n ASN 74 Cb 0.19 0.76 -0.13 0.00 -2.36 0.00 0.00 39.78 38.24 3mu0 n ASN 74 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3mu0 s GLN 75 N -2.00 1.38 -0.12 -3.83 -0.21 -1.17 -5.09 119.66 108.62 3mu0 s GLN 75 Ca 0.08 -1.27 -0.29 0.00 0.02 0.00 0.00 55.36 53.90 3mu0 s GLN 75 Cb 0.11 -1.78 -0.04 0.00 1.00 0.00 0.00 33.01 32.29 3mu0 s GLN 75 CO 0.46 0.43 1.57 1.21 -2.12 0.00 0.00 175.29 176.84 3mu0 s ASN 76 N -1.91 6.64 0.25 5.90 2.47 -1.26 -4.64 114.94 122.39 3mu0 s ASN 76 Ca 0.12 1.99 0.23 0.00 0.42 0.00 0.00 52.86 55.61 3mu0 s ASN 76 Cb -0.10 -2.53 0.08 0.00 -1.45 0.00 0.00 41.25 37.24 3mu0 s ASN 76 CO 0.05 -0.98 1.16 0.78 -3.72 0.00 0.00 177.10 174.40 3mu0 h ASN 77 N 9.60 0.00 0.00 -4.21 4.21 -1.93 -3.48 115.58 119.77 3mu0 h ASN 77 Ca -0.35 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.15 3mu0 h ASN 77 Cb 1.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.36 3mu0 h ASN 77 CO 0.97 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.72 3mu0 n GLY 78 N 1.17 0.64 0.00 2.83 0.00 -1.26 -4.86 105.19 103.71 3mu0 n GLY 78 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3mu0 n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mu0 n THR 79 N -2.69 0.00 -2.55 2.61 -2.24 -1.26 -5.09 114.28 103.05 3mu0 n THR 79 Ca 0.00 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.16 3mu0 n THR 79 Cb 0.00 1.28 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 3mu0 n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mu0 s GLU 80 N -0.22 4.17 -0.06 -0.78 8.01 -1.21 -4.44 118.70 124.17 3mu0 s GLU 80 Ca 0.00 1.50 0.04 0.00 0.01 0.00 0.00 54.97 56.53 3mu0 s GLU 80 Cb 0.00 -2.54 -0.00 0.00 -4.31 0.00 0.00 34.13 27.28 3mu0 s GLU 80 CO 0.00 -0.13 -0.19 -0.65 0.01 0.00 0.00 175.26 174.30 3mu0 s GLN 81 N -2.50 2.07 -0.14 1.61 -0.21 -0.39 -4.99 119.66 115.10 3mu0 s GLN 81 Ca 0.58 -0.67 -0.01 0.00 0.02 0.00 0.00 55.36 55.28 3mu0 s GLN 81 Cb -0.22 -1.74 -0.01 0.00 1.00 0.00 0.00 33.01 32.04 3mu0 s GLN 81 CO 0.27 0.23 -0.12 0.71 -2.12 0.00 0.00 175.29 174.27 3mu0 s TYR 82 N 0.12 2.84 -0.09 0.91 1.51 -1.26 -1.50 117.35 119.88 3mu0 s TYR 82 Ca -0.07 -0.66 -0.05 0.00 -1.01 0.00 0.00 57.07 55.27 3mu0 s TYR 82 Cb -0.13 -1.88 0.04 0.00 -0.11 0.00 0.00 41.96 39.88 3mu0 s TYR 82 CO 0.04 -0.24 0.22 0.54 -1.11 0.00 0.00 175.55 174.99 3mu0 s VAL 83 N 0.48 -0.03 0.69 0.71 0.11 -0.35 -5.00 120.40 117.01 3mu0 s VAL 83 Ca -0.08 0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 58.94 3mu0 s VAL 83 Cb -0.16 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 3mu0 s VAL 83 CO 0.04 0.05 1.13 -0.83 -3.33 0.00 0.00 175.10 172.16 3mu0 s GLY 84 N 1.00 2.14 -0.23 6.54 0.00 -1.26 -0.92 107.32 114.58 3mu0 s GLY 84 Ca -0.07 0.59 -0.19 0.00 0.00 0.00 0.00 44.72 45.05 3mu0 s GLY 84 CO -0.06 0.96 0.57 0.14 0.00 0.00 0.00 173.10 174.71 3mu0 s VAL 85 N -2.32 5.04 -0.13 1.40 1.01 -1.13 -1.05 120.40 123.22 3mu0 s VAL 85 Ca 0.68 1.03 0.05 0.00 0.00 0.00 0.00 61.98 63.74 3mu0 s VAL 85 Cb -0.22 -3.89 -0.24 0.00 0.00 0.00 0.00 36.38 32.04 3mu0 s VAL 85 CO 0.44 0.09 0.34 1.67 0.00 0.00 0.00 175.10 177.64 3mu0 n GLN 86 N 5.35 0.69 -3.74 2.72 7.27 0.51 -4.85 117.38 125.33 3mu0 n GLN 86 Ca -0.03 0.22 -0.13 0.00 0.07 0.00 0.00 57.00 57.14 3mu0 n GLN 86 Cb 0.50 -1.68 -0.10 0.00 2.41 0.00 0.00 30.24 31.36 3mu0 n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3mu0 s LYS 87 N -2.56 0.44 -0.18 3.69 2.20 -1.10 -4.99 119.74 117.24 3mu0 s LYS 87 Ca -0.16 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 3mu0 s LYS 87 Cb 0.07 0.19 0.01 0.00 -1.51 0.00 0.00 37.83 36.59 3mu0 s LYS 87 CO 0.77 -0.06 -0.17 0.42 -0.36 0.00 0.00 175.35 175.95 3mu0 s ILE 88 N 0.33 2.38 -0.35 5.43 1.01 -1.26 -0.67 121.20 128.07 3mu0 s ILE 88 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.80 3mu0 s ILE 88 Cb -0.03 -2.02 0.09 0.00 0.01 0.00 0.00 42.46 40.51 3mu0 s ILE 88 CO -0.01 0.52 0.08 -0.69 0.00 0.00 0.00 174.94 174.84 3mu0 s VAL 89 N 1.22 2.79 0.23 2.92 1.01 0.56 -4.99 120.40 124.13 3mu0 s VAL 89 Ca 0.03 -1.96 -0.14 0.00 0.00 0.00 0.00 61.98 59.91 3mu0 s VAL 89 Cb -0.14 -2.86 -0.08 0.00 0.00 0.00 0.00 36.38 33.31 3mu0 s VAL 89 CO -0.08 -0.46 0.62 -0.69 0.00 0.00 0.00 175.10 174.48 3mu0 s VAL 90 N 1.09 4.80 0.22 2.92 1.01 -1.26 -0.82 120.40 128.35 3mu0 s VAL 90 Ca 0.04 0.81 -0.32 0.00 0.00 0.00 0.00 61.98 62.51 3mu0 s VAL 90 Cb -0.21 -3.69 -0.13 0.00 0.00 0.00 0.00 36.38 32.35 3mu0 s VAL 90 CO -0.05 0.04 1.47 1.57 0.00 0.00 0.00 175.10 178.13 3mu0 n HIS 91 N 0.22 2.24 0.29 5.22 -0.00 -0.73 -4.83 115.22 117.62 3mu0 n HIS 91 Ca -0.01 0.37 0.15 0.00 0.46 0.00 0.00 57.72 58.70 3mu0 n HIS 91 Cb 0.52 -2.49 0.73 0.00 -0.12 0.00 0.00 29.99 28.62 3mu0 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3mu0 h PRO 92 N 4.79 0.00 -0.33 1.57 0.13 -1.93 -1.66 132.00 134.58 3mu0 h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3mu0 h PRO 92 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3mu0 h PRO 92 CO 0.80 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.23 3mu0 n TYR 93 N -2.63 0.42 -2.00 1.56 4.01 -1.26 -4.95 117.16 112.31 3mu0 n TYR 93 Ca -0.00 -0.21 -0.41 0.00 -0.16 0.00 0.00 57.90 57.11 3mu0 n TYR 93 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.17 3mu0 n TYR 93 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3mu0 s TRP 94 N -1.58 3.02 -0.15 -0.72 -0.11 -0.63 -4.85 118.94 113.92 3mu0 s TRP 94 Ca 0.37 0.98 -0.01 0.00 1.22 0.00 0.00 56.10 58.66 3mu0 s TRP 94 Cb 0.21 -3.83 0.04 0.00 -1.50 0.00 0.00 33.47 28.39 3mu0 s TRP 94 CO 0.30 -2.75 -0.04 1.21 -4.62 0.00 0.00 176.95 171.06 3mu0 s ASN 95 N 0.46 2.59 0.52 5.86 2.47 -1.26 -5.01 114.94 120.56 3mu0 s ASN 95 Ca 0.61 -0.56 0.24 0.00 0.42 0.00 0.00 52.86 53.57 3mu0 s ASN 95 Cb -0.42 -0.80 1.36 0.00 -1.45 0.00 0.00 41.25 39.95 3mu0 s ASN 95 CO 0.42 -0.19 1.99 0.00 -3.72 0.00 0.00 177.10 175.60 3mu0 h THR 96 N 6.37 0.75 0.00 -5.21 1.03 -1.98 -0.54 112.91 113.32 3mu0 h THR 96 Ca -0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.16 3mu0 h THR 96 Cb 1.12 0.70 0.00 0.00 -1.07 0.00 0.00 68.15 68.90 3mu0 h THR 96 CO 0.37 0.01 0.00 0.47 -0.01 0.00 0.00 175.52 176.36 3mu0 n ASP 97 N -4.39 0.00 -2.77 0.00 9.92 -1.26 -4.45 116.55 113.60 3mu0 n ASP 97 Ca 0.10 -1.42 -0.08 0.00 -0.53 0.00 0.00 54.79 52.85 3mu0 n ASP 97 Cb 0.59 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 41.11 3mu0 n ASP 97 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3mu0 n ASP 98 N -0.76 -2.80 -1.93 -2.24 2.03 -0.21 -5.07 116.55 105.57 3mu0 n ASP 98 Ca 0.12 -3.24 -0.00 0.00 0.52 0.00 0.00 54.79 52.19 3mu0 n ASP 98 Cb 0.06 1.70 -0.00 0.00 -0.72 0.00 0.00 41.12 42.16 3mu0 n ASP 98 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 3mu0 n VAL 99 N 1.76 0.41 0.00 5.18 3.14 -1.25 -4.08 118.33 123.49 3mu0 n VAL 99 Ca 0.10 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 3mu0 n VAL 99 Cb 0.62 -1.13 0.00 0.00 -1.06 0.00 0.00 33.84 32.27 3mu0 n VAL 99 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3mu0 n ALA 99 N 1.95 0.00 0.00 1.55 0.00 -1.26 -4.80 120.51 117.96 3mu0 n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mu0 n ALA 99 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3mu0 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mu0 n GLY 100 N 0.00 -1.83 2.42 0.00 0.00 -1.26 -5.00 105.19 99.52 3mu0 n GLY 100 Ca 0.00 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 43.90 3mu0 n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mu0 n TYR 101 N 0.00 -0.36 -2.51 1.61 4.01 -1.26 -4.65 117.16 114.00 3mu0 n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3mu0 n TYR 101 Cb 0.00 -3.17 0.00 0.00 -0.31 0.00 0.00 39.34 35.87 3mu0 n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3mu0 n ASP 102 N -0.99 4.85 -3.67 7.72 4.64 -1.26 -4.38 116.55 123.46 3mu0 n ASP 102 Ca -0.19 -2.95 -0.14 0.00 -1.38 0.00 0.00 54.79 50.13 3mu0 n ASP 102 Cb 0.60 -1.65 -0.08 0.00 -1.04 0.00 0.00 41.12 38.95 3mu0 n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 3mu0 s ILE 103 N 2.80 0.01 -0.01 5.18 2.07 -1.26 -3.96 121.20 126.04 3mu0 s ILE 103 Ca 0.48 -0.09 -0.15 0.00 -1.41 0.00 0.00 60.65 59.48 3mu0 s ILE 103 Cb 0.05 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 41.88 3mu0 s ILE 103 CO 0.02 -0.05 0.31 0.00 -1.91 0.00 0.00 174.94 173.31 3mu0 s ALA 104 N -0.33 -0.77 -0.07 1.50 0.00 -0.26 -1.78 121.76 120.06 3mu0 s ALA 104 Ca -0.05 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.24 3mu0 s ALA 104 Cb -0.03 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3mu0 s ALA 104 CO 0.03 -0.28 -0.21 -0.51 0.00 0.00 0.00 175.76 174.80 3mu0 s LEU 105 N -1.41 2.32 -0.20 0.00 1.43 0.00 -1.26 118.68 119.57 3mu0 s LEU 105 Ca -0.13 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 3mu0 s LEU 105 Cb -0.05 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.72 3mu0 s LEU 105 CO 0.03 0.25 -0.10 -0.76 0.23 0.00 0.00 176.35 176.01 3mu0 s LEU 106 N -0.21 2.67 -0.10 1.79 1.43 0.33 -0.32 118.68 124.27 3mu0 s LEU 106 Ca -0.01 -0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 52.42 3mu0 s LEU 106 Cb -0.13 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3mu0 s LEU 106 CO 0.03 0.01 0.62 -0.60 0.23 0.00 0.00 176.35 176.65 3mu0 s ARG 107 N 1.25 4.37 0.38 1.70 3.52 0.15 -1.06 118.95 129.27 3mu0 s ARG 107 Ca 0.03 0.71 -0.13 0.00 -0.13 0.00 0.00 55.73 56.21 3mu0 s ARG 107 Cb -0.14 -3.46 -0.08 0.00 -1.56 0.00 0.00 34.95 29.71 3mu0 s ARG 107 CO -0.04 0.04 0.77 -0.51 -0.81 0.00 0.00 175.30 174.75 3mu0 s LEU 108 N 0.92 3.91 0.43 -0.88 1.43 0.32 -0.37 118.68 124.45 3mu0 s LEU 108 Ca 0.33 1.23 0.21 0.00 -1.03 0.00 0.00 54.13 54.86 3mu0 s LEU 108 Cb -0.17 -4.08 0.95 0.00 0.03 0.00 0.00 46.19 42.92 3mu0 s LEU 108 CO 0.14 -0.33 1.86 0.00 0.23 0.00 0.00 176.35 178.25 3mu0 h ALA 109 N 1.64 1.14 -2.53 4.21 0.00 -1.41 -3.43 119.26 118.88 3mu0 h ALA 109 Ca -0.47 -0.25 -0.26 0.00 0.00 0.00 0.00 54.91 53.92 3mu0 h ALA 109 Cb 1.18 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.76 3mu0 h ALA 109 CO 0.64 0.34 -0.71 -0.65 0.00 0.00 0.00 179.25 178.87 3mu0 s GLN 110 N -3.88 0.80 -0.05 0.00 1.11 -1.26 -5.04 119.66 111.34 3mu0 s GLN 110 Ca -0.01 -1.19 -0.25 0.00 0.01 0.00 0.00 55.36 53.91 3mu0 s GLN 110 Cb 0.12 -0.33 -0.03 0.00 -1.01 0.00 0.00 33.01 31.76 3mu0 s GLN 110 CO 0.66 0.03 0.78 -1.12 0.01 0.00 0.00 175.29 175.64 3mu0 s SER 111 N -2.63 7.09 0.55 5.90 0.01 -1.26 -4.66 113.70 118.70 3mu0 s SER 111 Ca 0.07 1.32 -0.13 0.00 1.31 0.00 0.00 55.95 58.51 3mu0 s SER 111 Cb 0.00 -2.46 -0.06 0.00 0.21 0.00 0.00 66.02 63.72 3mu0 s SER 111 CO -0.02 -0.16 0.97 0.68 0.41 0.00 0.00 173.24 175.12 3mu0 s VAL 112 N 0.89 4.66 -0.11 3.43 -7.23 -0.39 -4.98 120.40 116.67 3mu0 s VAL 112 Ca 0.41 0.94 -0.18 0.00 -1.81 0.00 0.00 61.98 61.35 3mu0 s VAL 112 Cb -0.19 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 32.91 3mu0 s VAL 112 CO 0.21 -0.89 0.47 -0.89 -0.31 0.00 0.00 175.10 173.68 3mu0 s THR 113 N -2.86 5.17 0.20 5.32 2.01 -1.26 -4.87 115.64 119.35 3mu0 s THR 113 Ca 0.56 0.94 -0.23 0.00 0.31 0.00 0.00 61.69 63.26 3mu0 s THR 113 Cb -0.10 -3.81 -0.08 0.00 0.01 0.00 0.00 72.50 68.52 3mu0 s THR 113 CO 0.42 0.35 0.77 -0.76 -0.69 0.00 0.00 174.62 174.71 3mu0 s LEU 114 N 0.48 4.48 0.00 4.42 1.43 -1.26 -4.81 118.68 123.42 3mu0 s LEU 114 Ca 0.26 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 3mu0 s LEU 114 Cb -0.15 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.61 3mu0 s LEU 114 CO 0.10 0.13 0.00 -0.46 0.23 0.00 0.00 176.35 176.35 3mu0 n ASN 115 N 1.20 0.00 0.18 2.29 0.23 -0.29 -4.96 115.26 113.90 3mu0 n ASN 115 Ca -0.04 -0.97 0.13 0.00 -0.53 0.00 0.00 54.58 53.18 3mu0 n ASN 115 Cb 0.50 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.81 3mu0 n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3mu0 h SER 116 N 0.00 0.00 0.00 0.53 4.64 -1.99 -2.22 113.55 114.51 3mu0 h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mu0 h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3mu0 h SER 116 CO 0.00 0.00 -1.00 -1.22 -0.87 0.00 0.00 176.83 173.74 3mu0 n TYR 117 N -2.40 0.00 -3.60 4.77 4.01 -1.26 -4.72 117.16 113.95 3mu0 n TYR 117 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 3mu0 n TYR 117 Cb 0.15 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.01 3mu0 n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3mu0 s VAL 118 N -2.98 0.01 0.05 -0.72 1.01 -0.84 -3.82 120.40 113.11 3mu0 s VAL 118 Ca 0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 3mu0 s VAL 118 Cb 0.16 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 3mu0 s VAL 118 CO 0.86 -0.44 0.11 -1.10 0.00 0.00 0.00 175.10 174.52 3mu0 s GLN 119 N 2.08 0.63 0.28 2.72 -1.52 -0.72 -1.14 119.66 121.98 3mu0 s GLN 119 Ca 0.04 -0.81 -0.29 0.00 -1.95 0.00 0.00 55.36 52.35 3mu0 s GLN 119 Cb -0.16 0.25 -0.09 0.00 -0.22 0.00 0.00 33.01 32.78 3mu0 s GLN 119 CO -0.19 -0.16 1.11 -0.51 -0.25 0.00 0.00 175.29 175.29 3mu0 s LEU 120 N -2.28 4.54 0.32 2.90 1.43 -1.26 -3.44 118.68 120.88 3mu0 s LEU 120 Ca -0.03 2.28 -0.28 0.00 -1.03 0.00 0.00 54.13 55.08 3mu0 s LEU 120 Cb 0.00 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 3mu0 s LEU 120 CO -0.06 -0.17 1.12 -0.83 0.23 0.00 0.00 176.35 176.64 3mu0 s GLY 121 N -0.80 2.99 -0.27 -3.19 0.00 0.88 -4.83 107.32 102.10 3mu0 s GLY 121 Ca 0.45 0.91 -0.19 0.00 0.00 0.00 0.00 44.72 45.89 3mu0 s GLY 121 CO 0.41 1.48 0.55 0.14 0.00 0.00 0.00 173.10 175.69 3mu0 s VAL 122 N -1.26 5.03 0.24 1.40 1.01 -1.26 -4.80 120.40 120.76 3mu0 s VAL 122 Ca 0.48 0.91 -0.05 0.00 0.00 0.00 0.00 61.98 63.32 3mu0 s VAL 122 Cb -0.31 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 3mu0 s VAL 122 CO 0.40 0.03 0.50 -0.76 0.00 0.00 0.00 175.10 175.27 3mu0 s LEU 123 N 2.39 4.14 0.80 3.92 1.43 -1.26 -0.62 118.68 129.48 3mu0 s LEU 123 Ca 0.23 0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 53.91 3mu0 s LEU 123 Cb -0.15 -3.48 0.07 0.00 0.03 0.00 0.00 46.19 42.66 3mu0 s LEU 123 CO 0.09 -0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.50 3mu0 s PRO 124 N -3.18 2.04 0.49 1.29 0.04 -1.26 -4.90 135.00 129.53 3mu0 s PRO 124 Ca 0.43 0.96 -0.23 0.00 0.04 0.00 0.00 61.00 62.21 3mu0 s PRO 124 Cb -0.11 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 3mu0 s PRO 124 CO 0.27 -1.73 1.29 1.03 0.04 0.00 0.00 177.00 177.90 3mu0 s ARG 125 N -4.97 3.49 0.21 4.56 0.52 -1.26 -4.82 118.95 116.69 3mu0 s ARG 125 Ca 0.61 2.09 -0.32 0.00 -0.52 0.00 0.00 55.73 57.60 3mu0 s ARG 125 Cb -0.17 -2.40 -0.14 0.00 0.52 0.00 0.00 34.95 32.76 3mu0 s ARG 125 CO 0.56 -0.87 1.34 0.00 0.02 0.00 0.00 175.30 176.35 3mu0 n ALA 126 N -0.64 0.54 -0.38 2.13 0.00 -1.26 -2.11 120.51 118.79 3mu0 n ALA 126 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3mu0 n ALA 126 Cb 0.45 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3mu0 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mu0 n GLY 127 N 2.17 1.45 3.73 0.00 0.00 -0.62 -5.01 105.19 106.91 3mu0 n GLY 127 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3mu0 n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mu0 s THR 128 N -3.10 2.91 -0.08 2.61 2.01 -0.90 -5.00 115.64 114.10 3mu0 s THR 128 Ca 0.00 0.72 0.03 0.00 0.31 0.00 0.00 61.69 62.75 3mu0 s THR 128 Cb 0.00 -3.46 0.01 0.00 0.01 0.00 0.00 72.50 69.06 3mu0 s THR 128 CO 0.00 0.09 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.21 3mu0 s ILE 129 N 0.41 1.61 0.11 1.82 -1.09 -1.26 -4.77 121.20 118.04 3mu0 s ILE 129 Ca 0.61 -0.76 -0.22 0.00 -2.23 0.00 0.00 60.65 58.05 3mu0 s ILE 129 Cb -0.40 -1.42 -0.07 0.00 -1.58 0.00 0.00 42.46 38.99 3mu0 s ILE 129 CO 0.38 0.46 0.66 -0.76 -1.23 0.00 0.00 174.94 174.45 3mu0 s LEU 130 N 0.50 4.56 0.75 2.97 1.43 -1.26 -5.03 118.68 122.59 3mu0 s LEU 130 Ca -0.17 1.43 -0.15 0.00 -1.03 0.00 0.00 54.13 54.21 3mu0 s LEU 130 Cb -0.17 -3.07 0.02 0.00 0.03 0.00 0.00 46.19 43.00 3mu0 s LEU 130 CO 0.06 0.25 0.92 0.00 0.23 0.00 0.00 176.35 177.81 3mu0 n ALA 131 N 1.67 -0.50 -1.64 4.21 0.00 -1.26 -4.86 120.51 118.13 3mu0 n ALA 131 Ca -0.08 -0.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 3mu0 n ALA 131 Cb 0.50 -2.09 -0.00 0.00 0.00 0.00 0.00 19.45 17.86 3mu0 n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mu0 n ASN 132 N -1.78 1.82 -1.50 0.00 5.15 -1.26 -2.51 115.26 115.18 3mu0 n ASN 132 Ca 0.12 1.14 -0.14 0.00 -0.60 0.00 0.00 54.58 55.10 3mu0 n ASN 132 Cb 0.50 -1.38 -0.01 0.00 -0.53 0.00 0.00 39.78 38.35 3mu0 n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3mu0 n ASN 133 N 0.78 -4.31 -4.78 1.20 5.15 0.23 -4.94 115.26 108.59 3mu0 n ASN 133 Ca 0.08 0.04 -0.36 0.00 -0.60 0.00 0.00 54.58 53.73 3mu0 n ASN 133 Cb 0.36 -3.42 -0.03 0.00 -0.53 0.00 0.00 39.78 36.16 3mu0 n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3mu0 s SER 134 N -2.44 6.50 -0.11 1.20 0.01 -1.04 -4.59 113.70 113.22 3mu0 s SER 134 Ca 0.00 2.13 -0.30 0.00 1.31 0.00 0.00 55.95 59.10 3mu0 s SER 134 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 3mu0 s SER 134 CO 0.00 -0.68 1.15 -2.16 0.41 0.00 0.00 173.24 171.96 3mu0 s PRO 135 N -2.63 4.33 0.06 12.44 0.04 -1.26 -1.37 135.00 146.61 3mu0 s PRO 135 Ca 0.61 1.57 -0.05 0.00 0.04 0.00 0.00 61.00 63.16 3mu0 s PRO 135 Cb -0.24 -3.61 -0.02 0.00 0.04 0.00 0.00 34.50 30.68 3mu0 s PRO 135 CO 0.30 -0.49 0.09 0.00 0.04 0.00 0.00 177.00 176.94 3mu0 s TYR 137 N -3.60 1.85 0.09 0.00 2.02 0.26 -0.87 117.35 117.09 3mu0 s TYR 137 Ca 0.03 -0.53 -0.12 0.00 -0.37 0.00 0.00 57.07 56.08 3mu0 s TYR 137 Cb 0.05 -1.24 -0.06 0.00 -0.40 0.00 0.00 41.96 40.31 3mu0 s TYR 137 CO -0.09 -0.17 0.45 -1.50 -1.57 0.00 0.00 175.55 172.66 3mu0 s ILE 138 N -0.01 5.01 0.09 2.71 2.07 -0.34 -0.82 121.20 129.91 3mu0 s ILE 138 Ca -0.04 0.61 0.06 0.00 -1.41 0.00 0.00 60.65 59.87 3mu0 s ILE 138 Cb -0.12 -3.68 -0.03 0.00 0.13 0.00 0.00 42.46 38.76 3mu0 s ILE 138 CO 0.02 0.31 -0.15 0.42 -1.91 0.00 0.00 174.94 173.63 3mu0 s THR 139 N -1.38 1.24 0.00 4.00 -4.23 -1.20 -1.40 115.64 112.67 3mu0 s THR 139 Ca 0.33 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 3mu0 s THR 139 Cb -0.15 -1.23 0.00 0.00 1.34 0.00 0.00 72.50 72.46 3mu0 s THR 139 CO 0.18 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3mu0 n GLY 140 N 1.10 0.27 1.20 3.99 0.00 -0.48 -4.49 105.19 106.78 3mu0 n GLY 140 Ca -0.20 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 44.77 3mu0 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mu0 n TRP 141 N -0.72 1.18 -0.81 1.61 8.01 -1.26 -1.57 117.44 123.88 3mu0 n TRP 141 Ca 0.00 -0.70 -0.30 0.00 -1.31 0.00 0.00 57.50 55.18 3mu0 n TRP 141 Cb 0.00 -0.27 0.27 0.00 -2.01 0.00 0.00 31.31 29.30 3mu0 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3mu0 s GLY 142 N -1.29 1.52 0.35 6.99 0.00 -1.25 -1.72 107.32 111.92 3mu0 s GLY 142 Ca 0.43 -0.98 -0.27 0.00 0.00 0.00 0.00 44.72 43.90 3mu0 s GLY 142 CO 0.16 -0.01 1.15 1.04 0.00 0.00 0.00 173.10 175.44 3mu0 n LEU 143 N -5.17 2.89 -0.29 0.66 4.77 -0.22 -2.60 117.00 117.04 3mu0 n LEU 143 Ca 0.14 1.16 0.12 0.00 -0.03 0.00 0.00 56.01 57.40 3mu0 n LEU 143 Cb 0.60 -1.40 0.23 0.00 -2.33 0.00 0.00 43.42 40.51 3mu0 n LEU 143 CO 0.42 -0.96 0.50 0.35 -1.33 0.00 0.00 177.39 176.37 3mu0 n THR 144 N 0.10 0.00 -3.78 -5.08 -2.24 -0.78 -1.38 114.28 101.13 3mu0 n THR 144 Ca 0.07 -0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 3mu0 n THR 144 Cb 0.36 0.68 -0.08 0.00 -2.10 0.00 0.00 70.33 69.19 3mu0 n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mu0 s ARG 145 N -2.56 0.74 0.14 -0.78 0.52 -1.26 -4.27 118.95 111.47 3mu0 s ARG 145 Ca 0.21 -0.43 -0.35 0.00 -0.52 0.00 0.00 55.73 54.64 3mu0 s ARG 145 Cb 0.19 0.32 -0.15 0.00 0.52 0.00 0.00 34.95 35.83 3mu0 s ARG 145 CO 0.57 -0.22 1.50 2.41 0.02 0.00 0.00 175.30 179.57 3mu0 n THR 147 N 0.82 0.00 -2.16 0.02 -1.04 -1.26 -0.61 114.28 110.06 3mu0 n THR 147 Ca -0.20 -0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.61 3mu0 n THR 147 Cb 0.58 -1.29 -0.03 0.00 -1.82 0.00 0.00 70.33 67.77 3mu0 n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3mu0 n ASN 148 N 3.10 -5.69 -0.31 8.00 3.02 -1.26 -4.97 115.26 117.16 3mu0 n ASN 148 Ca 0.17 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 3mu0 n ASN 148 Cb 0.25 -4.82 0.00 0.00 -0.61 0.00 0.00 39.78 34.60 3mu0 n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mu0 n GLY 149 N -0.82 1.67 3.28 7.41 0.00 0.22 -5.13 105.19 111.82 3mu0 n GLY 149 Ca -0.23 -1.72 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 3mu0 n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mu0 s GLN 150 N 3.49 1.13 0.56 1.61 -2.07 -1.26 -4.92 119.66 118.19 3mu0 s GLN 150 Ca 0.00 -1.46 -0.21 0.00 -1.82 0.00 0.00 55.36 51.87 3mu0 s GLN 150 Cb 0.00 -0.81 -0.05 0.00 -1.09 0.00 0.00 33.01 31.06 3mu0 s GLN 150 CO 0.00 0.12 1.24 1.28 -1.32 0.00 0.00 175.29 176.61 3mu0 n LEU 151 N -0.13 4.94 -4.76 2.60 4.77 -1.26 -1.86 117.00 121.30 3mu0 n LEU 151 Ca -0.10 0.93 -0.35 0.00 -0.03 0.00 0.00 56.01 56.46 3mu0 n LEU 151 Cb 0.60 -1.52 0.04 0.00 -2.33 0.00 0.00 43.42 40.22 3mu0 n LEU 151 CO 0.32 -0.97 0.79 0.00 -1.33 0.00 0.00 177.39 176.20 3mu0 s ALA 152 N -1.34 2.47 -0.04 -1.18 0.00 -0.70 -4.83 121.76 116.14 3mu0 s ALA 152 Ca 0.73 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.49 3mu0 s ALA 152 Cb -0.43 -3.39 -0.26 0.00 0.00 0.00 0.00 23.12 19.04 3mu0 s ALA 152 CO 0.48 -1.25 0.67 1.96 0.00 0.00 0.00 175.76 177.62 3mu0 h GLN 153 N 0.46 0.18 -6.64 0.00 4.20 -1.94 -3.46 115.11 107.92 3mu0 h GLN 153 Ca -0.49 -0.31 -0.67 0.00 0.06 0.00 0.00 58.65 57.24 3mu0 h GLN 153 Cb 1.27 0.11 -0.18 0.00 0.30 0.00 0.00 27.48 28.99 3mu0 h GLN 153 CO 0.54 0.97 -0.77 0.95 -0.67 0.00 0.00 178.83 179.84 3mu0 s THR 154 N -2.60 3.07 0.18 -0.54 -4.23 -1.26 -0.54 115.64 109.72 3mu0 s THR 154 Ca -0.12 -1.38 -0.33 0.00 -1.18 0.00 0.00 61.69 58.69 3mu0 s THR 154 Cb 0.07 -2.41 -0.13 0.00 1.34 0.00 0.00 72.50 71.37 3mu0 s THR 154 CO 0.82 0.12 1.64 -0.11 -0.54 0.00 0.00 174.62 176.56 3mu0 n LEU 155 N 0.81 3.47 -4.73 4.79 7.94 -0.53 -4.83 117.00 123.92 3mu0 n LEU 155 Ca -0.15 1.07 -0.27 0.00 -1.11 0.00 0.00 56.01 55.56 3mu0 n LEU 155 Cb 0.52 -1.49 -0.07 0.00 0.53 0.00 0.00 43.42 42.92 3mu0 n LEU 155 CO 0.30 -0.09 -0.28 -1.10 -1.11 0.00 0.00 177.39 175.11 3mu0 s GLN 156 N 1.08 2.64 0.06 1.96 -1.52 -0.61 -0.97 119.66 122.30 3mu0 s GLN 156 Ca 0.78 -0.97 0.04 0.00 -1.95 0.00 0.00 55.36 53.26 3mu0 s GLN 156 Cb -0.61 -2.51 -0.03 0.00 -0.22 0.00 0.00 33.01 29.65 3mu0 s GLN 156 CO 0.36 0.48 -0.12 1.14 -0.25 0.00 0.00 175.29 176.89 3mu0 s GLN 157 N -2.94 0.75 -0.02 2.91 -2.07 0.21 -1.38 119.66 117.12 3mu0 s GLN 157 Ca 0.29 -0.87 -0.01 0.00 -1.82 0.00 0.00 55.36 52.95 3mu0 s GLN 157 Cb -0.10 -0.70 0.01 0.00 -1.09 0.00 0.00 33.01 31.13 3mu0 s GLN 157 CO 0.21 0.15 0.04 0.00 -1.32 0.00 0.00 175.29 174.37 3mu0 s ALA 158 N -1.23 -0.08 -0.32 2.60 0.00 -0.49 -0.70 121.76 121.54 3mu0 s ALA 158 Ca -0.04 0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.77 3mu0 s ALA 158 Cb -0.10 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.95 3mu0 s ALA 158 CO 0.02 -0.03 1.07 -0.47 0.00 0.00 0.00 175.76 176.35 3mu0 s TYR 159 N 0.15 3.15 -0.32 0.00 5.04 -1.26 -1.20 117.35 122.90 3mu0 s TYR 159 Ca -0.01 1.19 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 3mu0 s TYR 159 Cb -0.02 -3.68 0.10 0.00 0.35 0.00 0.00 41.96 38.71 3mu0 s TYR 159 CO -0.00 -0.76 0.10 -0.51 -1.34 0.00 0.00 175.55 173.03 3mu0 s LEU 160 N 3.64 2.83 0.58 6.97 1.43 -0.05 -4.96 118.68 129.12 3mu0 s LEU 160 Ca 0.45 -1.81 -0.18 0.00 -1.03 0.00 0.00 54.13 51.56 3mu0 s LEU 160 Cb -0.12 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 3mu0 s LEU 160 CO 0.15 -0.40 1.14 -2.16 0.23 0.00 0.00 176.35 175.31 3mu0 s PRO 161 N 1.38 3.14 0.61 1.29 0.04 -1.26 -3.81 135.00 136.40 3mu0 s PRO 161 Ca 0.11 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 3mu0 s PRO 161 Cb -0.18 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 3mu0 s PRO 161 CO -0.20 -1.02 1.10 0.95 0.04 0.00 0.00 177.00 177.88 3mu0 s THR 162 N -1.88 3.35 -0.20 1.26 -4.23 -0.47 -0.71 115.64 112.76 3mu0 s THR 162 Ca 0.72 0.68 0.01 0.00 -1.18 0.00 0.00 61.69 61.93 3mu0 s THR 162 Cb -0.24 -3.21 0.03 0.00 1.34 0.00 0.00 72.50 70.42 3mu0 s THR 162 CO 0.32 -0.34 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.21 3mu0 s VAL 163 N -2.22 1.99 0.90 2.29 1.01 -0.03 -0.60 120.40 123.73 3mu0 s VAL 163 Ca 0.68 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 3mu0 s VAL 163 Cb -0.20 -1.90 0.13 0.00 0.00 0.00 0.00 36.38 34.41 3mu0 s VAL 163 CO 0.37 0.36 1.09 1.51 0.00 0.00 0.00 175.10 178.43 3mu0 s ASP 164 N 1.28 3.41 0.21 3.32 1.47 -1.26 -4.09 116.67 121.00 3mu0 s ASP 164 Ca 0.01 1.58 -0.09 0.00 1.18 0.00 0.00 52.55 55.23 3mu0 s ASP 164 Cb -0.15 -2.25 0.25 0.00 -0.34 0.00 0.00 42.92 40.43 3mu0 s ASP 164 CO -0.10 -2.69 1.80 0.22 0.68 0.00 0.00 175.17 175.08 3mu0 h TYR 165 N -1.59 0.66 -0.59 2.11 3.20 -1.94 0.29 116.97 119.12 3mu0 h TYR 165 Ca -0.49 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.47 3mu0 h TYR 165 Cb 1.28 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.31 3mu0 h TYR 165 CO 0.44 0.31 0.39 0.00 -1.64 0.00 0.00 178.16 177.66 3mu0 h ALA 166 N 1.35 1.82 0.04 1.82 0.00 -1.97 -0.41 119.26 121.91 3mu0 h ALA 166 Ca 0.30 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 3mu0 h ALA 166 Cb 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mu0 h ALA 166 CO -0.19 0.08 -0.59 0.82 0.00 0.00 0.00 179.25 179.37 3mu0 h ILE 167 N 0.57 1.46 0.00 0.00 2.04 -1.67 -3.36 117.51 116.55 3mu0 h ILE 167 Ca 0.25 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.77 3mu0 h ILE 167 Cb 0.28 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 3mu0 h ILE 167 CO -0.07 0.57 0.00 0.00 0.00 0.00 0.00 178.15 178.65 3mu0 n SER 169 N -2.26 7.17 0.00 0.00 3.41 -0.18 -1.05 113.62 120.71 3mu0 n SER 169 Ca 0.04 -3.43 0.00 0.00 -0.26 0.00 0.00 58.87 55.22 3mu0 n SER 169 Cb 0.31 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 3mu0 n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mu0 n SER 170 N 1.10 0.00 0.00 4.04 3.41 -1.26 -3.47 113.62 117.43 3mu0 n SER 170 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3mu0 n SER 170 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3mu0 n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mu0 n TYR 171 N 0.00 0.00 1.02 7.33 4.02 -1.26 -4.81 117.16 123.47 3mu0 n TYR 171 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 3mu0 n TYR 171 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.36 3mu0 n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3mu0 n TRP 172 N 0.00 0.00 -3.78 -0.72 7.02 -0.22 -4.87 117.44 114.88 3mu0 n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3mu0 n TRP 172 Cb 0.00 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 28.82 3mu0 n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mu0 n GLY 173 N 1.47 1.84 0.33 6.99 0.00 -1.23 -1.55 105.19 113.05 3mu0 n GLY 173 Ca 0.06 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.63 3mu0 n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mu0 n SER 174 N -1.36 0.80 -0.07 1.61 3.41 -1.26 -3.03 113.62 113.72 3mu0 n SER 174 Ca 0.00 -2.03 -0.10 0.00 -0.26 0.00 0.00 58.87 56.48 3mu0 n SER 174 Cb 0.00 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 3mu0 n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3mu0 h THR 175 N 0.37 1.12 -4.03 6.66 2.02 -1.65 -3.44 112.91 113.96 3mu0 h THR 175 Ca 0.00 -0.34 -0.46 0.00 0.77 0.00 0.00 66.41 66.38 3mu0 h THR 175 Cb 0.32 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3mu0 h THR 175 CO 0.02 0.12 0.30 0.54 0.37 0.00 0.00 175.52 176.87 3mu0 s VAL 176 N -5.82 4.51 0.29 3.16 0.11 -1.17 -4.76 120.40 116.72 3mu0 s VAL 176 Ca -0.13 1.26 0.07 0.00 -2.93 0.00 0.00 61.98 60.24 3mu0 s VAL 176 Cb 0.08 -3.65 -0.06 0.00 -1.53 0.00 0.00 36.38 31.22 3mu0 s VAL 176 CO 0.71 -0.44 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.44 3mu0 s LYS 177 N -3.50 1.58 0.30 1.54 -0.14 -1.26 -4.95 119.74 113.31 3mu0 s LYS 177 Ca 0.59 -1.80 0.24 0.00 -1.36 0.00 0.00 55.97 53.64 3mu0 s LYS 177 Cb -0.10 -1.21 1.08 0.00 -1.68 0.00 0.00 37.83 35.92 3mu0 s LYS 177 CO 0.21 0.04 1.74 -0.97 -0.76 0.00 0.00 175.35 175.61 3mu0 h ASN 178 N 2.25 0.00 -0.09 2.83 -1.24 -1.99 -1.81 115.58 115.54 3mu0 h ASN 178 Ca -0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.61 3mu0 h ASN 178 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 3mu0 h ASN 178 CO 0.68 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 175.28 3mu0 n SER 179 N -2.33 0.76 -4.40 1.15 3.41 -1.26 -4.84 113.62 106.10 3mu0 n SER 179 Ca 0.01 -2.03 -0.21 0.00 -0.26 0.00 0.00 58.87 56.38 3mu0 n SER 179 Cb 0.20 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 3mu0 n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3mu0 s MET 180 N -1.72 1.49 -0.06 4.33 -1.94 -0.68 -0.98 119.30 119.74 3mu0 s MET 180 Ca 0.06 -1.66 0.05 0.00 -1.71 0.00 0.00 55.69 52.43 3mu0 s MET 180 Cb 0.04 -1.44 -0.01 0.00 2.01 0.00 0.00 34.83 35.42 3mu0 s MET 180 CO 0.04 0.26 -0.22 0.08 -0.01 0.00 0.00 175.02 175.16 3mu0 s VAL 181 N -2.68 2.31 -0.00 -6.03 1.01 0.38 -4.69 120.40 110.68 3mu0 s VAL 181 Ca 0.25 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3mu0 s VAL 181 Cb -0.03 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3mu0 s VAL 181 CO 0.11 0.57 -0.01 0.00 0.00 0.00 0.00 175.10 175.77 3mu0 s ALA 183 N -1.06 -0.82 0.00 0.00 0.00 -0.57 -0.85 121.76 118.46 3mu0 s ALA 183 Ca 0.19 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.97 3mu0 s ALA 183 Cb -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.58 3mu0 s ALA 183 CO 0.09 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.08 3mu0 n GLY 184 N 2.57 0.84 1.95 0.00 0.00 0.11 -1.51 105.19 109.15 3mu0 n GLY 184 Ca -0.15 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3mu0 n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mu0 n GLY 185 N 0.00 0.42 0.06 -0.02 0.00 -1.26 -4.67 105.19 99.72 3mu0 n GLY 185 Ca 0.00 -0.89 0.15 0.00 0.00 0.00 0.00 46.02 45.28 3mu0 n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mu0 n ASP 186 N 1.62 0.25 0.00 1.61 3.85 -1.26 -1.49 116.55 121.13 3mu0 n ASP 186 Ca 0.00 -0.51 0.00 0.00 -0.71 0.00 0.00 54.79 53.57 3mu0 n ASP 186 Cb 0.00 -0.14 0.00 0.00 -1.35 0.00 0.00 41.12 39.63 3mu0 n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mu0 n GLY 187 N 1.23 1.67 0.28 6.12 0.00 -1.26 -4.77 105.19 108.45 3mu0 n GLY 187 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 3mu0 n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mu0 n VAL 188 N -2.00 0.21 -5.00 1.61 0.31 -1.26 -4.65 118.33 107.56 3mu0 n VAL 188 Ca 0.00 -0.07 -0.32 0.00 -0.01 0.00 0.00 64.34 63.93 3mu0 n VAL 188 Cb 0.00 -0.91 -0.14 0.00 -0.91 0.00 0.00 33.84 31.88 3mu0 n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3mu0 s ARG 188 N -2.07 2.45 -0.19 5.55 0.52 -1.26 -3.84 118.95 120.11 3mu0 s ARG 188 Ca -0.05 -0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 3mu0 s ARG 188 Cb 0.02 -2.30 0.14 0.00 0.52 0.00 0.00 34.95 33.33 3mu0 s ARG 188 CO 0.08 0.58 1.08 0.45 0.02 0.00 0.00 175.30 177.51 3mu0 s SER 189 N -0.63 -0.30 1.22 0.23 0.15 -0.79 -4.36 113.70 109.22 3mu0 s SER 189 Ca 0.09 0.33 -0.15 0.00 0.70 0.00 0.00 55.95 56.92 3mu0 s SER 189 Cb -0.11 0.25 0.30 0.00 -1.71 0.00 0.00 66.02 64.75 3mu0 s SER 189 CO 0.01 -0.27 1.01 -0.83 1.20 0.00 0.00 173.24 174.36 3mu0 s GLY 190 N -1.06 1.51 0.00 9.45 0.00 -1.26 -0.71 107.32 115.25 3mu0 s GLY 190 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.34 3mu0 s GLY 190 CO -0.01 0.41 0.00 0.00 0.00 0.00 0.00 173.10 173.50 3mu0 s GLN 192 N -1.42 4.28 0.00 0.00 1.11 -1.26 -2.16 119.66 120.21 3mu0 s GLN 192 Ca 0.00 1.99 0.00 0.00 0.01 0.00 0.00 55.36 57.36 3mu0 s GLN 192 Cb 0.00 -3.55 0.00 0.00 -1.01 0.00 0.00 33.01 28.45 3mu0 s GLN 192 CO 0.00 -0.57 0.00 0.41 0.01 0.00 0.00 175.29 175.14 3mu0 n GLY 193 N 3.65 1.50 0.06 3.09 0.00 -1.26 -1.06 105.19 111.17 3mu0 n GLY 193 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 3mu0 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mu0 n ASP 194 N 0.00 0.66 -4.61 1.61 8.00 -0.92 -3.84 116.55 117.45 3mu0 n ASP 194 Ca 0.00 0.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.09 3mu0 n ASP 194 Cb 0.00 0.60 -0.01 0.00 -0.02 0.00 0.00 41.12 41.69 3mu0 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mu0 n SER 195 N -2.19 1.51 0.00 -2.24 7.64 -1.25 -1.63 113.62 115.46 3mu0 n SER 195 Ca 0.02 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3mu0 n SER 195 Cb 0.47 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 3mu0 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mu0 n GLY 196 N 1.14 3.09 3.93 0.23 0.00 0.49 -0.82 105.19 113.24 3mu0 n GLY 196 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3mu0 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mu0 s GLY 197 N -1.88 1.74 0.38 -0.02 0.00 -0.65 -3.26 107.32 103.64 3mu0 s GLY 197 Ca 0.00 -1.13 -0.16 0.00 0.00 0.00 0.00 44.72 43.43 3mu0 s GLY 197 CO 0.00 -0.45 0.82 2.56 0.00 0.00 0.00 173.10 176.03 3mu0 s PRO 198 N -5.72 4.02 -0.29 2.90 0.04 -1.26 -0.87 135.00 133.83 3mu0 s PRO 198 Ca 0.70 0.79 -0.07 0.00 0.04 0.00 0.00 61.00 62.46 3mu0 s PRO 198 Cb -0.06 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.16 3mu0 s PRO 198 CO 0.51 0.04 0.07 -1.17 0.04 0.00 0.00 177.00 176.49 3mu0 s LEU 199 N -3.27 3.78 -0.25 -3.56 2.96 -0.35 -3.24 118.68 114.75 3mu0 s LEU 199 Ca 0.56 -0.68 -0.14 0.00 -0.22 0.00 0.00 54.13 53.66 3mu0 s LEU 199 Cb -0.10 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3mu0 s LEU 199 CO 0.20 -0.18 0.30 -1.00 -1.32 0.00 0.00 176.35 174.35 3mu0 s HIS 200 N 1.50 3.29 -0.03 5.38 3.76 0.00 -0.96 115.29 128.23 3mu0 s HIS 200 Ca 0.03 0.37 0.06 0.00 -0.15 0.00 0.00 55.06 55.36 3mu0 s HIS 200 Cb -0.17 -2.46 -0.01 0.00 1.11 0.00 0.00 32.58 31.04 3mu0 s HIS 200 CO 0.02 -0.10 -0.20 0.00 -0.85 0.00 0.00 174.74 173.60 3mu0 s LEU 202 N -0.27 4.11 -0.05 0.00 2.96 -1.05 -1.76 118.68 122.62 3mu0 s LEU 202 Ca 0.02 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 3mu0 s LEU 202 Cb -0.10 -3.04 0.02 0.00 0.50 0.00 0.00 46.19 43.57 3mu0 s LEU 202 CO 0.01 -0.66 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.66 3mu0 s VAL 203 N 3.01 0.43 -1.61 1.68 1.01 0.03 -4.76 120.40 120.18 3mu0 s VAL 203 Ca 0.32 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 3mu0 s VAL 203 Cb -0.14 -0.51 0.11 0.00 0.00 0.00 0.00 36.38 35.84 3mu0 s VAL 203 CO 0.14 0.22 0.65 0.59 0.00 0.00 0.00 175.10 176.71 3mu0 n ASN 204 N 4.45 -2.27 0.00 3.32 3.02 -1.26 -1.95 115.26 120.56 3mu0 n ASN 204 Ca -0.19 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 3mu0 n ASN 204 Cb 0.50 -2.79 0.00 0.00 -0.61 0.00 0.00 39.78 36.88 3mu0 n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mu0 n GLY 205 N -1.63 2.02 3.37 7.41 0.00 -1.26 -5.01 105.19 110.08 3mu0 n GLY 205 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3mu0 n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mu0 s GLN 206 N -0.27 1.74 0.15 1.61 -1.52 -0.83 -5.10 119.66 115.44 3mu0 s GLN 206 Ca 0.00 -1.15 -0.30 0.00 -1.95 0.00 0.00 55.36 51.96 3mu0 s GLN 206 Cb 0.00 -1.98 -0.07 0.00 -0.22 0.00 0.00 33.01 30.74 3mu0 s GLN 206 CO 0.00 0.50 0.95 0.71 -0.25 0.00 0.00 175.29 177.20 3mu0 s TYR 207 N -0.88 3.87 0.09 0.91 2.02 -1.26 -0.79 117.35 121.31 3mu0 s TYR 207 Ca 0.13 1.83 0.03 0.00 -0.37 0.00 0.00 57.07 58.69 3mu0 s TYR 207 Cb -0.10 -3.02 -0.03 0.00 -0.40 0.00 0.00 41.96 38.40 3mu0 s TYR 207 CO 0.03 0.29 -0.09 0.00 -1.57 0.00 0.00 175.55 174.21 3mu0 s ALA 208 N -0.39 1.02 -0.61 3.71 0.00 -0.72 -4.69 121.76 120.07 3mu0 s ALA 208 Ca 0.45 -1.14 -0.23 0.00 0.00 0.00 0.00 51.96 51.04 3mu0 s ALA 208 Cb -0.24 0.04 0.06 0.00 0.00 0.00 0.00 23.12 22.98 3mu0 s ALA 208 CO 0.30 -0.05 0.93 0.08 0.00 0.00 0.00 175.76 177.02 3mu0 s VAL 209 N -2.37 4.39 -0.37 0.00 1.01 0.21 -0.81 120.40 122.45 3mu0 s VAL 209 Ca 0.04 -0.17 0.23 0.00 0.00 0.00 0.00 61.98 62.07 3mu0 s VAL 209 Cb -0.03 -4.61 -0.10 0.00 0.00 0.00 0.00 36.38 31.64 3mu0 s VAL 209 CO -0.00 -1.30 0.95 1.41 0.00 0.00 0.00 175.10 176.16 3mu0 n HIS 210 N 7.51 0.50 -4.04 5.22 8.25 -0.13 -4.25 115.22 128.27 3mu0 n HIS 210 Ca -0.02 0.14 -0.11 0.00 -0.26 0.00 0.00 57.72 57.48 3mu0 n HIS 210 Cb 0.46 -0.66 -0.11 0.00 1.12 0.00 0.00 29.99 30.81 3mu0 n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3mu0 s GLY 211 N -4.07 0.42 -0.22 -1.41 0.00 -1.15 -1.44 107.32 99.46 3mu0 s GLY 211 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 44.72 43.91 3mu0 s GLY 211 CO 0.81 -0.86 -0.09 0.14 0.00 0.00 0.00 173.10 173.10 3mu0 s VAL 212 N -1.88 2.86 0.16 1.40 1.01 -0.70 -1.21 120.40 122.05 3mu0 s VAL 212 Ca -0.09 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 60.78 3mu0 s VAL 212 Cb -0.07 -2.34 -0.11 0.00 0.00 0.00 0.00 36.38 33.86 3mu0 s VAL 212 CO -0.02 0.37 1.80 0.41 0.00 0.00 0.00 175.10 177.66 3mu0 n THR 213 N 4.71 0.22 0.02 3.92 -1.04 -0.04 -0.43 114.28 121.63 3mu0 n THR 213 Ca -0.18 -0.04 -0.01 0.00 -2.04 0.00 0.00 64.05 61.77 3mu0 n THR 213 Cb 0.49 -2.08 -0.00 0.00 -1.82 0.00 0.00 70.33 66.91 3mu0 n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3mu0 n SER 214 N 4.98 0.82 -3.62 8.00 2.88 0.09 -0.38 113.62 126.38 3mu0 n SER 214 Ca 0.17 0.11 -0.11 0.00 -1.33 0.00 0.00 58.87 57.72 3mu0 n SER 214 Cb 0.37 -0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 63.52 3mu0 n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3mu0 s PHE 215 N -2.07 -0.24 0.38 0.66 -0.71 -0.74 -4.94 117.98 110.34 3mu0 s PHE 215 Ca -0.03 -0.07 0.04 0.00 -1.04 0.00 0.00 56.93 55.83 3mu0 s PHE 215 Cb 0.01 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 42.10 3mu0 s PHE 215 CO 0.04 -0.76 0.07 0.14 -1.34 0.00 0.00 175.22 173.37 3mu0 s VAL 216 N -3.81 1.01 0.41 -2.49 -7.23 -1.26 -1.17 120.40 105.86 3mu0 s VAL 216 Ca 0.04 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.96 3mu0 s VAL 216 Cb 0.01 -2.56 -0.08 0.00 0.56 0.00 0.00 36.38 34.30 3mu0 s VAL 216 CO -0.10 0.00 1.19 -0.94 -0.31 0.00 0.00 175.10 174.94 3mu0 s SER 217 N -3.59 6.40 0.53 4.85 1.04 -1.24 -4.91 113.70 116.78 3mu0 s SER 217 Ca 0.28 2.40 0.20 0.00 0.48 0.00 0.00 55.95 59.31 3mu0 s SER 217 Cb 0.06 -2.62 1.36 0.00 0.10 0.00 0.00 66.02 64.92 3mu0 s SER 217 CO 0.14 -0.77 2.11 0.03 0.98 0.00 0.00 173.24 175.73 3mu0 h ARG 217 N 2.52 0.00 -0.13 4.02 3.08 -2.00 -2.21 114.38 119.65 3mu0 h ARG 217 Ca -0.49 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.46 3mu0 h ARG 217 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 3mu0 h ARG 217 CO 0.62 0.00 -0.37 -0.07 -1.07 0.00 0.00 179.97 179.08 3mu0 h LEU 218 N 0.00 0.29 0.00 3.04 3.38 -2.04 -3.47 115.31 116.51 3mu0 h LEU 218 Ca 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3mu0 h LEU 218 Cb 0.30 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3mu0 h LEU 218 CO -0.00 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.78 3mu0 n GLY 219 N -0.25 0.83 0.14 0.83 0.00 -0.83 -5.06 105.19 100.85 3mu0 n GLY 219 Ca -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 46.02 45.05 3mu0 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mu0 s ASN 221 N -4.58 6.68 -0.10 0.00 4.22 -1.26 -4.68 114.94 115.22 3mu0 s ASN 221 Ca -0.04 -2.33 0.03 0.00 -2.14 0.00 0.00 52.86 48.38 3mu0 s ASN 221 Cb 0.00 -2.31 0.01 0.00 1.28 0.00 0.00 41.25 40.24 3mu0 s ASN 221 CO 0.13 -0.83 -0.19 -0.69 -2.04 0.00 0.00 177.10 173.47 3mu0 s VAL 221 N 1.50 1.71 0.30 3.54 1.01 -1.26 -4.71 120.40 122.49 3mu0 s VAL 221 Ca 0.25 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 3mu0 s VAL 221 Cb -0.08 -1.51 -0.11 0.00 0.00 0.00 0.00 36.38 34.67 3mu0 s VAL 221 CO -0.09 0.48 1.56 -0.89 0.00 0.00 0.00 175.10 176.17 3mu0 s THR 222 N 0.60 2.14 -1.29 3.92 2.01 -1.26 -1.51 115.64 120.25 3mu0 s THR 222 Ca -0.14 0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.98 3mu0 s THR 222 Cb -0.17 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.27 3mu0 s THR 222 CO 0.04 0.02 0.00 0.54 -0.69 0.00 0.00 174.62 174.53 3mu0 n ARG 223 N 2.00 -1.20 -3.53 4.92 1.74 -0.55 -4.92 116.66 115.12 3mu0 n ARG 223 Ca 0.07 0.90 -0.27 0.00 -0.77 0.00 0.00 57.85 57.78 3mu0 n ARG 223 Cb 0.38 -5.06 -0.09 0.00 -1.02 0.00 0.00 32.46 26.66 3mu0 n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mu0 n LYS 224 N -1.94 1.76 -1.44 5.56 4.76 -0.57 -4.21 118.16 122.08 3mu0 n LYS 224 Ca -0.12 -4.21 -0.35 0.00 -2.87 0.00 0.00 58.31 50.76 3mu0 n LYS 224 Cb 0.49 -2.03 0.10 0.00 -1.84 0.00 0.00 35.03 31.74 3mu0 n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3mu0 s PRO 225 N -1.67 2.12 0.38 1.97 0.04 -1.26 -4.53 135.00 132.04 3mu0 s PRO 225 Ca 0.34 1.86 -0.28 0.00 0.04 0.00 0.00 61.00 62.96 3mu0 s PRO 225 Cb 0.08 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.69 3mu0 s PRO 225 CO -0.10 -1.88 1.49 0.99 0.04 0.00 0.00 177.00 177.55 3mu0 s THR 226 N -1.84 2.03 -0.11 1.26 2.01 -0.57 -4.74 115.64 113.68 3mu0 s THR 226 Ca 0.77 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.80 3mu0 s THR 226 Cb -0.32 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 3mu0 s THR 226 CO 0.45 0.01 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.58 3mu0 s VAL 227 N -1.12 3.17 0.07 3.82 1.01 -0.32 -1.51 120.40 125.53 3mu0 s VAL 227 Ca 0.53 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.97 3mu0 s VAL 227 Cb -0.47 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 3mu0 s VAL 227 CO 0.63 0.54 -0.25 -0.36 0.00 0.00 0.00 175.10 175.66 3mu0 s PHE 228 N 0.09 2.14 0.22 5.22 0.08 0.42 -0.73 117.98 125.43 3mu0 s PHE 228 Ca -0.05 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.30 3mu0 s PHE 228 Cb -0.14 -1.24 -0.10 0.00 -0.57 0.00 0.00 43.02 40.97 3mu0 s PHE 228 CO 0.04 0.19 1.46 0.99 -0.10 0.00 0.00 175.22 177.80 3mu0 s THR 229 N -0.92 2.70 -0.56 0.64 2.01 0.43 -0.47 115.64 119.47 3mu0 s THR 229 Ca 0.11 0.57 -0.27 0.00 0.31 0.00 0.00 61.69 62.41 3mu0 s THR 229 Cb -0.10 -3.36 0.03 0.00 0.01 0.00 0.00 72.50 69.08 3mu0 s THR 229 CO 0.03 0.08 1.10 -0.60 -0.69 0.00 0.00 174.62 174.54 3mu0 s ARG 230 N 0.01 3.47 0.34 4.92 3.52 -0.15 -1.72 118.95 129.34 3mu0 s ARG 230 Ca 0.62 0.11 0.05 0.00 -0.13 0.00 0.00 55.73 56.37 3mu0 s ARG 230 Cb -0.42 -4.01 0.70 0.00 -1.56 0.00 0.00 34.95 29.65 3mu0 s ARG 230 CO 0.40 -1.58 1.93 0.28 -0.81 0.00 0.00 175.30 175.52 3mu0 h VAL 231 N 6.12 1.00 0.00 7.11 2.07 -1.54 -1.79 116.25 129.21 3mu0 h VAL 231 Ca -0.25 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3mu0 h VAL 231 Cb 1.06 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3mu0 h VAL 231 CO 1.14 0.15 0.00 -1.54 0.02 0.00 0.00 177.57 177.34 3mu0 n SER 232 N -4.50 0.33 0.02 0.57 3.41 -1.26 -0.98 113.62 111.22 3mu0 n SER 232 Ca 0.13 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 3mu0 n SER 232 Cb 0.27 -0.66 0.47 0.00 -0.26 0.00 0.00 64.21 64.03 3mu0 n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mu0 n ALA 233 N -1.64 2.60 -0.53 7.33 0.00 -0.67 -1.59 120.51 126.01 3mu0 n ALA 233 Ca 0.02 -0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.35 3mu0 n ALA 233 Cb 0.15 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.27 3mu0 n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mu0 n TYR 234 N -1.69 0.00 -0.09 0.00 4.02 -0.15 -4.79 117.16 114.46 3mu0 n TYR 234 Ca 0.06 -0.63 -0.07 0.00 -0.01 0.00 0.00 57.90 57.24 3mu0 n TYR 234 Cb 0.36 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 3mu0 n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3mu0 h ILE 235 N 0.46 0.96 -0.71 -0.72 1.08 -1.71 0.34 117.51 117.20 3mu0 h ILE 235 Ca 0.00 -0.11 -0.04 0.00 -0.39 0.00 0.00 64.86 64.33 3mu0 h ILE 235 Cb 0.75 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 3mu0 h ILE 235 CO 0.00 0.06 0.30 0.77 -0.69 0.00 0.00 178.15 178.59 3mu0 h SER 236 N 0.31 0.97 -0.02 1.72 4.64 -1.91 -1.16 113.55 118.10 3mu0 h SER 236 Ca 0.14 -0.16 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 3mu0 h SER 236 Cb 0.07 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 3mu0 h SER 236 CO -0.11 0.87 -0.09 -0.25 -0.87 0.00 0.00 176.83 176.38 3mu0 h TRP 237 N 1.02 -0.22 -0.15 4.77 7.01 -1.77 0.31 115.95 126.92 3mu0 h TRP 237 Ca 0.24 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.28 3mu0 h TRP 237 Cb 0.19 0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.31 3mu0 h TRP 237 CO 0.01 -0.13 -0.07 0.82 -2.79 0.00 0.00 178.44 176.28 3mu0 h ILE 238 N -0.14 0.78 -0.73 2.65 2.04 -0.73 -1.04 117.51 120.33 3mu0 h ILE 238 Ca 0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 3mu0 h ILE 238 Cb 0.19 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3mu0 h ILE 238 CO -0.10 0.00 0.32 0.78 0.00 0.00 0.00 178.15 179.15 3mu0 h ASN 239 N -0.05 0.97 -0.58 1.72 2.35 -1.00 -1.79 115.58 117.21 3mu0 h ASN 239 Ca 0.08 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3mu0 h ASN 239 Cb 0.17 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3mu0 h ASN 239 CO -0.19 0.84 0.19 0.78 -1.65 0.00 0.00 177.43 177.41 3mu0 h ASN 240 N 1.05 0.83 -0.09 5.81 2.35 -0.46 -0.99 115.58 124.08 3mu0 h ASN 240 Ca 0.25 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3mu0 h ASN 240 Cb 0.15 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 3mu0 h ASN 240 CO -0.03 0.81 0.02 0.58 -1.65 0.00 0.00 177.43 177.17 3mu0 h VAL 241 N 0.81 1.18 -0.83 2.81 2.07 -0.88 -2.21 116.25 119.20 3mu0 h VAL 241 Ca 0.19 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 3mu0 h VAL 241 Cb 0.27 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3mu0 h VAL 241 CO -0.01 0.16 0.41 0.40 0.02 0.00 0.00 177.57 178.55 3mu0 h ILE 242 N -0.06 1.26 0.00 4.57 2.04 -1.23 -2.43 117.51 121.66 3mu0 h ILE 242 Ca 0.03 -0.71 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 3mu0 h ILE 242 Cb 0.23 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3mu0 h ILE 242 CO -0.00 0.30 -0.30 0.00 0.00 0.00 0.00 178.15 178.15 3mu0 h ALA 243 N 1.22 1.28 0.00 1.87 0.00 -1.09 -2.81 119.26 119.73 3mu0 h ALA 243 Ca 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mu0 h ALA 243 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mu0 h ALA 243 CO -0.04 0.38 -0.53 0.77 0.00 0.00 0.00 179.25 179.83 3mu0 h SER 244 N 0.00 0.00 -0.00 0.00 0.02 -0.94 -3.51 113.55 109.12 3mu0 h SER 244 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3mu0 h SER 244 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3mu0 h SER 244 CO 0.04 0.02 0.00 0.59 -1.14 0.00 0.00 176.83 176.34