#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqt s ILE 2 N 0.00 4.91 0.00 1.39 -1.09 -0.54 -3.96 121.20 121.91 1sqt s ILE 2 Ca 0.00 1.53 0.00 0.00 -2.23 0.00 0.00 60.65 59.95 1sqt s ILE 2 Cb 0.00 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1sqt s ILE 2 CO 0.00 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1sqt n GLY 3 N 2.78 2.23 7.00 6.18 0.00 -1.26 -3.27 105.19 118.85 1sqt n GLY 3 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1sqt n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqt n GLY 4 N 0.00 0.34 2.95 -0.02 0.00 -1.26 -4.87 105.19 102.32 1sqt n GLY 4 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 1sqt n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sqt s GLU 5 N 0.00 0.23 0.59 1.61 2.02 -0.52 -5.00 118.70 117.63 1sqt s GLU 5 Ca 0.00 -0.44 -0.18 0.00 0.02 0.00 0.00 54.97 54.37 1sqt s GLU 5 Cb 0.00 0.08 -0.03 0.00 0.10 0.00 0.00 34.13 34.28 1sqt s GLU 5 CO 0.00 -0.04 1.14 -0.06 0.02 0.00 0.00 175.26 176.32 1sqt s PHE 6 N -1.06 2.58 0.25 1.61 0.40 -1.26 -1.43 117.98 119.06 1sqt s PHE 6 Ca -0.12 1.54 0.01 0.00 -0.60 0.00 0.00 56.93 57.77 1sqt s PHE 6 Cb -0.07 -3.29 -0.00 0.00 0.51 0.00 0.00 43.02 40.16 1sqt s PHE 6 CO -0.01 -1.76 0.30 -2.37 0.70 0.00 0.00 175.22 172.08 1sqt n THR 7 N -1.74 0.00 -4.22 0.64 5.66 -0.36 -4.82 114.28 109.44 1sqt n THR 7 Ca 0.12 -1.44 -0.13 0.00 -3.05 0.00 0.00 64.05 59.55 1sqt n THR 7 Cb 0.51 0.82 -0.10 0.00 -1.55 0.00 0.00 70.33 70.01 1sqt n THR 7 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1sqt s THR 8 N -2.80 0.90 0.37 1.09 -4.23 -1.26 -4.35 115.64 105.37 1sqt s THR 8 Ca 0.24 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.13 1sqt s THR 8 Cb 0.00 -1.84 0.40 0.00 1.34 0.00 0.00 72.50 72.39 1sqt s THR 8 CO 0.17 -0.74 2.16 -0.29 -0.54 0.00 0.00 174.62 175.38 1sqt h ILE 9 N 2.83 0.00 0.00 2.99 6.09 -1.87 -2.31 117.51 125.24 1sqt h ILE 9 Ca -0.36 -0.13 -0.00 0.00 -1.37 0.00 0.00 64.86 63.00 1sqt h ILE 9 Cb 1.18 1.05 -0.00 0.00 0.47 0.00 0.00 36.82 39.52 1sqt h ILE 9 CO 0.64 0.00 -0.01 1.05 -3.07 0.00 0.00 178.15 176.76 1sqt h GLU 10 N 0.00 0.00 0.00 2.19 4.11 -1.87 0.38 114.58 119.39 1sqt h GLU 10 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1sqt h GLU 10 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1sqt h GLU 10 CO 0.00 0.01 -0.32 0.09 0.07 0.00 0.00 179.01 178.86 1sqt n ASN 11 N -3.12 0.37 -2.75 3.06 5.03 -0.87 -4.32 115.26 112.66 1sqt n ASN 11 Ca -0.00 0.08 -0.12 0.00 0.87 0.00 0.00 54.58 55.41 1sqt n ASN 11 Cb 0.26 -0.05 0.02 0.00 -1.02 0.00 0.00 39.78 38.98 1sqt n ASN 11 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sqt n GLN 12 N -1.60 1.24 0.09 3.52 1.13 0.07 -5.01 117.38 116.82 1sqt n GLN 12 Ca 0.06 -3.35 0.12 0.00 -1.94 0.00 0.00 57.00 51.88 1sqt n GLN 12 Cb 0.35 -1.38 0.45 0.00 0.11 0.00 0.00 30.24 29.77 1sqt n GLN 12 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1sqt n PRO 13 N -0.02 0.16 0.00 -1.09 -0.04 -0.89 -2.03 135.00 131.10 1sqt n PRO 13 Ca 0.14 0.30 0.15 0.00 -0.04 0.00 0.00 63.50 64.04 1sqt n PRO 13 Cb 0.78 -1.76 0.74 0.00 -0.04 0.00 0.00 33.50 33.22 1sqt n PRO 13 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1sqt n TRP 14 N -2.06 0.00 -2.55 0.54 2.14 -1.10 -1.70 117.44 112.71 1sqt n TRP 14 Ca 0.04 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.18 1sqt n TRP 14 Cb 0.28 -0.13 -0.03 0.00 -0.81 0.00 0.00 31.31 30.63 1sqt n TRP 14 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1sqt s PHE 15 N -2.30 3.36 -0.20 -2.67 5.36 -0.86 -1.16 117.98 119.51 1sqt s PHE 15 Ca 0.36 1.39 -0.09 0.00 -0.96 0.00 0.00 56.93 57.62 1sqt s PHE 15 Cb 0.21 -3.32 -0.05 0.00 -0.34 0.00 0.00 43.02 39.52 1sqt s PHE 15 CO 0.43 -0.85 0.11 0.00 -1.46 0.00 0.00 175.22 173.45 1sqt s ALA 16 N 1.91 3.54 -0.43 11.12 0.00 -0.08 -4.48 121.76 133.34 1sqt s ALA 16 Ca 0.53 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 1sqt s ALA 16 Cb -0.23 -2.10 0.03 0.00 0.00 0.00 0.00 23.12 20.82 1sqt s ALA 16 CO 0.22 0.07 0.42 0.00 0.00 0.00 0.00 175.76 176.47 1sqt s ALA 17 N 0.56 3.44 -0.18 0.00 0.00 -0.77 -1.34 121.76 123.47 1sqt s ALA 17 Ca 0.06 -1.59 -0.07 0.00 0.00 0.00 0.00 51.96 50.36 1sqt s ALA 17 Cb -0.12 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1sqt s ALA 17 CO 0.00 -1.59 0.05 0.42 0.00 0.00 0.00 175.76 174.65 1sqt s ILE 18 N 2.06 4.73 0.21 0.00 1.01 -0.31 -1.27 121.20 127.63 1sqt s ILE 18 Ca 0.11 -0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.76 1sqt s ILE 18 Cb -0.18 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 1sqt s ILE 18 CO 0.13 0.47 -0.10 -0.31 0.00 0.00 0.00 174.94 175.13 1sqt s TYR 19 N 0.30 1.61 -0.07 3.97 1.51 -0.41 -0.42 117.35 123.84 1sqt s TYR 19 Ca 0.03 -0.70 0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1sqt s TYR 19 Cb -0.12 -0.82 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 1sqt s TYR 19 CO 0.00 0.21 -0.13 0.50 -1.11 0.00 0.00 175.55 175.03 1sqt s ARG 20 N -3.72 1.78 0.04 -0.62 3.52 -0.47 -1.03 118.95 118.45 1sqt s ARG 20 Ca 0.23 -0.44 -0.26 0.00 -0.13 0.00 0.00 55.73 55.12 1sqt s ARG 20 Cb 0.02 -1.46 -0.05 0.00 -1.56 0.00 0.00 34.95 31.90 1sqt s ARG 20 CO 0.06 0.04 0.83 1.03 -0.81 0.00 0.00 175.30 176.45 1sqt s ARG 21 N 0.64 4.54 0.14 5.12 0.52 -0.18 -2.00 118.95 127.73 1sqt s ARG 21 Ca -0.15 1.17 0.05 0.00 -0.52 0.00 0.00 55.73 56.28 1sqt s ARG 21 Cb -0.16 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 1sqt s ARG 21 CO 0.04 0.19 0.10 -1.01 0.02 0.00 0.00 175.30 174.64 1sqt s HIS 22 N 0.22 3.12 -0.34 -0.53 3.76 0.89 -4.91 115.29 117.51 1sqt s HIS 22 Ca 0.42 -0.00 -0.40 0.00 -0.15 0.00 0.00 55.06 54.92 1sqt s HIS 22 Cb -0.21 -1.53 -0.16 0.00 1.11 0.00 0.00 32.58 31.80 1sqt s HIS 22 CO 0.24 0.52 1.85 0.54 -0.85 0.00 0.00 174.74 177.04 1sqt n ARG 23 N -0.06 0.91 0.00 1.40 3.00 -1.26 -0.99 116.66 119.67 1sqt n ARG 23 Ca -0.09 0.32 0.00 0.00 -0.01 0.00 0.00 57.85 58.07 1sqt n ARG 23 Cb 0.54 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 30.95 1sqt n ARG 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sqt n GLY 23 N 4.94 0.84 0.00 -0.13 0.00 -1.26 -4.64 105.19 104.93 1sqt n GLY 23 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1sqt n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqt n GLY 24 N -0.87 0.20 3.79 -0.02 0.00 -0.16 -5.07 105.19 103.07 1sqt n GLY 24 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1sqt n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sqt s SER 25 N -2.04 7.12 -0.04 1.61 1.04 -1.25 -4.78 113.70 115.36 1sqt s SER 25 Ca 0.00 1.84 0.05 0.00 0.48 0.00 0.00 55.95 58.32 1sqt s SER 25 Cb 0.00 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 1sqt s SER 25 CO 0.00 -0.23 -0.19 -0.69 0.98 0.00 0.00 173.24 173.11 1sqt s VAL 26 N -1.77 1.57 0.11 5.02 1.01 -1.26 -0.07 120.40 125.01 1sqt s VAL 26 Ca 0.55 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1sqt s VAL 26 Cb -0.17 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1sqt s VAL 26 CO 0.22 0.45 -0.09 0.42 0.00 0.00 0.00 175.10 176.10 1sqt s THR 27 N -0.17 0.91 0.32 3.92 -4.23 -0.85 -4.96 115.64 110.57 1sqt s THR 27 Ca 0.00 -1.83 -0.28 0.00 -1.18 0.00 0.00 61.69 58.41 1sqt s THR 27 Cb -0.10 -1.56 -0.09 0.00 1.34 0.00 0.00 72.50 72.08 1sqt s THR 27 CO 0.01 -0.70 1.10 -0.47 -0.54 0.00 0.00 174.62 174.02 1sqt s TYR 28 N -3.01 3.45 -0.03 3.99 6.14 -1.26 -1.36 117.35 125.26 1sqt s TYR 28 Ca 0.10 1.67 -0.07 0.00 0.64 0.00 0.00 57.07 59.41 1sqt s TYR 28 Cb 0.01 -3.27 -0.02 0.00 0.42 0.00 0.00 41.96 39.10 1sqt s TYR 28 CO -0.01 -0.66 -0.14 0.28 0.64 0.00 0.00 175.55 175.65 1sqt n VAL 29 N 0.81 1.13 -3.49 3.14 0.31 0.44 -4.86 118.33 115.81 1sqt n VAL 29 Ca 0.01 0.27 -0.11 0.00 -0.01 0.00 0.00 64.34 64.50 1sqt n VAL 29 Cb 0.46 -1.84 -0.03 0.00 -0.91 0.00 0.00 33.84 31.52 1sqt n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqt s GLY 31 N -2.23 1.79 0.18 0.00 0.00 -0.94 -1.16 107.32 104.96 1sqt s GLY 31 Ca 0.01 -1.61 -0.22 0.00 0.00 0.00 0.00 44.72 42.89 1sqt s GLY 31 CO -0.07 -0.88 1.04 -0.32 0.00 0.00 0.00 173.10 172.87 1sqt s GLY 32 N -4.89 0.09 -0.02 0.20 0.00 -0.45 -3.34 107.32 98.92 1sqt s GLY 32 Ca 0.72 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 45.15 1sqt s GLY 32 CO 0.50 2.36 -0.05 -0.56 0.00 0.00 0.00 173.10 175.35 1sqt s SER 33 N -3.39 0.72 -0.36 1.64 0.01 -0.63 -0.90 113.70 110.79 1sqt s SER 33 Ca 0.21 -0.10 -0.28 0.00 1.31 0.00 0.00 55.95 57.10 1sqt s SER 33 Cb -0.02 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.00 1sqt s SER 33 CO 0.05 0.01 1.02 -0.22 0.41 0.00 0.00 173.24 174.50 1sqt s LEU 34 N 0.37 3.92 -0.12 2.44 2.96 -0.30 -1.26 118.68 126.67 1sqt s LEU 34 Ca -0.04 0.76 0.11 0.00 -0.22 0.00 0.00 54.13 54.74 1sqt s LEU 34 Cb -0.08 -3.42 -0.24 0.00 0.50 0.00 0.00 46.19 42.96 1sqt s LEU 34 CO -0.00 -0.92 0.35 0.80 -1.32 0.00 0.00 176.35 175.25 1sqt n MET 35 N 6.96 0.67 -3.60 1.98 1.56 -0.48 -1.19 117.12 123.02 1sqt n MET 35 Ca 0.10 0.18 -0.10 0.00 -0.27 0.00 0.00 57.70 57.60 1sqt n MET 35 Cb 0.48 -1.67 -0.03 0.00 2.15 0.00 0.00 33.22 34.15 1sqt n MET 35 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1sqt s SER 36 N -6.04 -0.41 0.42 6.12 1.04 -1.15 -4.73 113.70 108.95 1sqt s SER 36 Ca -0.11 -0.26 0.23 0.00 0.48 0.00 0.00 55.95 56.29 1sqt s SER 36 Cb 0.07 0.61 1.22 0.00 0.10 0.00 0.00 66.02 68.02 1sqt s SER 36 CO 0.80 -1.06 1.74 -0.65 0.98 0.00 0.00 173.24 175.06 1sqt h PRO 37 N 2.08 0.28 -0.03 4.02 0.11 -1.95 -1.26 132.00 135.25 1sqt h PRO 37 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1sqt h PRO 37 Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1sqt h PRO 37 CO 0.36 0.18 -0.03 0.00 -0.21 0.00 0.00 178.00 178.29 1sqt s TRP 39 N -1.93 0.47 -0.10 0.00 0.52 -0.48 -1.34 118.94 116.09 1sqt s TRP 39 Ca 0.26 -0.05 0.01 0.00 0.02 0.00 0.00 56.10 56.33 1sqt s TRP 39 Cb 0.19 -0.59 -0.02 0.00 -1.15 0.00 0.00 33.47 31.90 1sqt s TRP 39 CO 0.30 -0.21 -0.10 0.08 0.02 0.00 0.00 176.95 177.04 1sqt s VAL 40 N 1.46 3.37 -0.02 4.03 1.01 -0.84 -1.38 120.40 128.02 1sqt s VAL 40 Ca -0.03 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1sqt s VAL 40 Cb -0.13 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1sqt s VAL 40 CO -0.03 0.56 -0.10 -0.51 0.00 0.00 0.00 175.10 175.02 1sqt s ILE 41 N -0.26 3.41 0.00 2.22 2.07 -0.39 -0.94 121.20 127.32 1sqt s ILE 41 Ca 0.03 -0.73 0.00 0.00 -1.41 0.00 0.00 60.65 58.54 1sqt s ILE 41 Cb -0.13 -2.42 0.00 0.00 0.13 0.00 0.00 42.46 40.04 1sqt s ILE 41 CO 0.03 0.49 0.00 -0.24 -1.91 0.00 0.00 174.94 173.31 1sqt n SER 42 N 1.93 0.00 -4.52 4.50 2.88 -0.38 -1.60 113.62 116.43 1sqt n SER 42 Ca -0.17 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.04 1sqt n SER 42 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.87 1sqt n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sqt s ALA 43 N -1.54 2.97 0.51 -1.46 0.00 -1.26 -1.70 121.76 119.28 1sqt s ALA 43 Ca 0.00 -0.85 0.19 0.00 0.00 0.00 0.00 51.96 51.30 1sqt s ALA 43 Cb 0.00 -1.42 1.26 0.00 0.00 0.00 0.00 23.12 22.96 1sqt s ALA 43 CO 0.00 0.34 2.06 1.15 0.00 0.00 0.00 175.76 179.31 1sqt h THR 44 N 4.87 0.89 0.00 0.00 2.02 -1.71 -2.86 112.91 116.12 1sqt h THR 44 Ca -0.36 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1sqt h THR 44 Cb 1.19 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1sqt h THR 44 CO 0.59 0.02 0.03 1.12 0.37 0.00 0.00 175.52 177.64 1sqt h HIS 45 N 0.09 0.00 0.00 3.16 2.07 -1.92 -1.57 115.15 116.98 1sqt h HIS 45 Ca 0.14 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.66 1sqt h HIS 45 Cb 0.46 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.44 1sqt h HIS 45 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1sqt n PHE 47 N -2.77 0.00 -0.19 0.00 3.72 -0.68 -4.89 117.46 112.66 1sqt n PHE 47 Ca 0.04 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 57.67 1sqt n PHE 47 Cb 0.48 0.00 0.61 0.00 -0.94 0.00 0.00 39.48 39.63 1sqt n PHE 47 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 1sqt h ILE 48 N 0.00 0.64 0.00 4.37 6.09 -1.50 -0.67 117.51 126.45 1sqt h ILE 48 Ca 0.00 -0.07 -0.05 0.00 -1.37 0.00 0.00 64.86 63.37 1sqt h ILE 48 Cb 0.08 0.42 -0.01 0.00 0.47 0.00 0.00 36.82 37.78 1sqt h ILE 48 CO 0.00 0.04 -0.50 0.44 -3.07 0.00 0.00 178.15 175.06 1sqt h ASP 49 N 0.20 0.00 -2.08 2.19 3.32 -1.88 -3.37 116.42 114.80 1sqt h ASP 49 Ca 0.42 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.90 1sqt h ASP 49 Cb 1.34 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.49 1sqt h ASP 49 CO -0.09 0.20 -0.89 -1.22 -1.72 0.00 0.00 179.24 175.52 1sqt n TYR 50 N -3.03 1.38 0.35 4.55 4.02 -0.31 -4.99 117.16 119.13 1sqt n TYR 50 Ca 0.01 -3.82 -0.01 0.00 -0.01 0.00 0.00 57.90 54.07 1sqt n TYR 50 Cb 0.62 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 1sqt n TYR 50 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1sqt n PRO 51 N 1.11 1.05 -3.65 -0.72 -0.04 -0.86 -4.81 135.00 127.07 1sqt n PRO 51 Ca 0.25 -0.10 -0.39 0.00 -0.04 0.00 0.00 63.50 63.22 1sqt n PRO 51 Cb 0.48 -1.04 -0.12 0.00 -0.04 0.00 0.00 33.50 32.79 1sqt n PRO 51 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1sqt s LYS 52 N -0.11 3.02 0.45 0.54 1.02 -1.26 -4.96 119.74 118.42 1sqt s LYS 52 Ca 0.02 -0.94 0.15 0.00 0.02 0.00 0.00 55.97 55.22 1sqt s LYS 52 Cb 0.02 -3.61 1.07 0.00 -0.52 0.00 0.00 37.83 34.79 1sqt s LYS 52 CO 0.00 -0.57 1.99 1.57 -0.92 0.00 0.00 175.35 177.43 1sqt h LYS 53 N 8.36 0.35 0.00 1.68 2.10 -1.90 -0.60 116.57 126.56 1sqt h LYS 53 Ca -0.28 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1sqt h LYS 53 Cb 1.12 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1sqt h LYS 53 CO 0.64 0.23 0.00 0.39 -2.00 0.00 0.00 179.45 178.71 1sqt n GLU 54 N -4.47 0.12 0.06 0.07 4.71 -1.26 -2.61 120.64 117.27 1sqt n GLU 54 Ca 0.09 0.51 0.13 0.00 -0.01 0.00 0.00 57.16 57.88 1sqt n GLU 54 Cb 0.37 -1.81 0.45 0.00 -1.01 0.00 0.00 31.44 29.43 1sqt n GLU 54 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1sqt n ASP 55 N -2.05 0.51 -4.87 1.62 8.00 -0.23 -4.90 116.55 114.63 1sqt n ASP 55 Ca 0.00 0.47 -0.36 0.00 0.71 0.00 0.00 54.79 55.61 1sqt n ASP 55 Cb 0.11 -0.55 -0.06 0.00 -0.02 0.00 0.00 41.12 40.59 1sqt n ASP 55 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1sqt s TYR 56 N -3.07 3.55 -0.07 1.24 2.02 -1.07 -1.01 117.35 118.94 1sqt s TYR 56 Ca 0.11 0.46 0.05 0.00 -0.37 0.00 0.00 57.07 57.33 1sqt s TYR 56 Cb 0.15 -1.90 -0.01 0.00 -0.40 0.00 0.00 41.96 39.80 1sqt s TYR 56 CO 0.59 0.70 -0.23 0.42 -1.57 0.00 0.00 175.55 175.46 1sqt s ILE 57 N -1.08 1.92 -0.16 2.71 1.01 -0.20 -4.23 121.20 121.17 1sqt s ILE 57 Ca 0.17 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1sqt s ILE 57 Cb -0.12 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.73 1sqt s ILE 57 CO 0.07 0.53 -0.16 -0.69 0.00 0.00 0.00 174.94 174.69 1sqt s VAL 58 N 0.04 1.77 -0.04 2.92 1.01 -0.65 -1.29 120.40 124.15 1sqt s VAL 58 Ca -0.08 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1sqt s VAL 58 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1sqt s VAL 58 CO 0.05 0.49 0.11 -0.31 0.00 0.00 0.00 175.10 175.43 1sqt s TYR 59 N 1.41 3.40 0.03 5.22 1.51 -0.39 0.32 117.35 128.85 1sqt s TYR 59 Ca 0.05 0.31 0.07 0.00 -1.01 0.00 0.00 57.07 56.49 1sqt s TYR 59 Cb -0.13 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1sqt s TYR 59 CO -0.12 0.61 -0.19 -0.51 -1.11 0.00 0.00 175.55 174.23 1sqt s LEU 60 N -1.51 2.57 0.00 -1.29 1.43 -0.62 -1.86 118.68 117.41 1sqt s LEU 60 Ca 0.21 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1sqt s LEU 60 Cb -0.12 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1sqt s LEU 60 CO 0.11 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.57 1sqt n GLY 61 N 1.64 0.43 3.69 -3.19 0.00 -1.25 -1.39 105.19 105.12 1sqt n GLY 61 Ca -0.16 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 1sqt n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sqt s ARG 62 N -1.31 4.10 -0.01 1.61 3.52 -1.26 -3.92 118.95 121.68 1sqt s ARG 62 Ca 0.00 -0.27 0.14 0.00 -0.13 0.00 0.00 55.73 55.48 1sqt s ARG 62 Cb 0.00 -3.38 -0.18 0.00 -1.56 0.00 0.00 34.95 29.83 1sqt s ARG 62 CO 0.00 0.24 0.52 0.43 -0.81 0.00 0.00 175.30 175.68 1sqt n SER 63 N 3.69 0.97 -4.04 -2.12 7.64 -1.26 -4.66 113.62 113.85 1sqt n SER 63 Ca -0.16 -0.58 -0.11 0.00 1.01 0.00 0.00 58.87 59.03 1sqt n SER 63 Cb 0.52 1.21 -0.11 0.00 -1.01 0.00 0.00 64.21 64.82 1sqt n SER 63 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1sqt s ARG 64 N -2.55 0.46 0.25 1.43 0.52 -1.26 -2.13 118.95 115.66 1sqt s ARG 64 Ca 0.02 -0.74 0.09 0.00 -0.52 0.00 0.00 55.73 54.59 1sqt s ARG 64 Cb 0.10 -0.12 0.29 0.00 0.52 0.00 0.00 34.95 35.74 1sqt s ARG 64 CO 0.59 0.01 1.57 1.25 0.02 0.00 0.00 175.30 178.74 1sqt h LEU 65 N 4.46 0.03 -4.92 2.53 5.85 -0.78 -3.30 115.31 119.18 1sqt h LEU 65 Ca -0.34 -0.02 -0.33 0.00 0.84 0.00 0.00 57.88 58.02 1sqt h LEU 65 Cb 1.20 -0.01 -0.41 0.00 0.37 0.00 0.00 40.66 41.81 1sqt h LEU 65 CO 0.42 0.68 -1.03 0.59 -0.34 0.00 0.00 178.44 178.76 1sqt n ASN 66 N -3.77 2.59 -3.79 1.25 4.13 -1.26 -5.02 115.26 109.39 1sqt n ASN 66 Ca -0.01 -2.55 -0.13 0.00 1.68 0.00 0.00 54.58 53.57 1sqt n ASN 66 Cb 0.65 -0.44 -0.11 0.00 -1.54 0.00 0.00 39.78 38.34 1sqt n ASN 66 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1sqt s SER 67 N -3.74 -0.24 -0.98 6.41 0.01 -1.24 -5.09 113.70 108.83 1sqt s SER 67 Ca 0.34 0.42 -0.20 0.00 1.31 0.00 0.00 55.95 57.82 1sqt s SER 67 Cb 0.35 0.49 0.11 0.00 0.21 0.00 0.00 66.02 67.18 1sqt s SER 67 CO -0.02 -0.16 1.25 0.20 0.41 0.00 0.00 173.24 174.92 1sqt s ASN 68 N -0.17 6.62 0.31 2.44 -0.87 -1.26 -4.55 114.94 117.46 1sqt s ASN 68 Ca -0.03 -1.93 -0.30 0.00 -1.57 0.00 0.00 52.86 49.03 1sqt s ASN 68 Cb -0.03 -2.45 -0.12 0.00 -0.02 0.00 0.00 41.25 38.63 1sqt s ASN 68 CO 0.01 -1.18 1.56 0.41 -2.57 0.00 0.00 177.10 175.33 1sqt n THR 69 N 5.88 1.24 -1.69 1.60 -1.04 -1.26 -4.90 114.28 114.10 1sqt n THR 69 Ca 0.28 -0.31 -0.52 0.00 -2.04 0.00 0.00 64.05 61.46 1sqt n THR 69 Cb 0.49 -1.94 -0.06 0.00 -1.82 0.00 0.00 70.33 67.01 1sqt n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sqt n GLN 70 N 1.77 1.76 -0.19 -2.82 -0.00 -1.26 -1.72 117.38 114.92 1sqt n GLN 70 Ca 0.07 0.65 0.00 0.00 -0.00 0.00 0.00 57.00 57.72 1sqt n GLN 70 Cb 0.37 -2.42 0.00 0.00 -0.00 0.00 0.00 30.24 28.19 1sqt n GLN 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sqt n GLY 71 N 4.22 0.61 3.77 2.61 0.00 -1.26 -5.01 105.19 110.14 1sqt n GLY 71 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1sqt n GLY 71 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sqt s GLU 72 N -0.78 2.50 -0.00 1.61 -1.05 -0.70 -4.80 118.70 115.46 1sqt s GLU 72 Ca 0.00 1.24 0.06 0.00 -0.15 0.00 0.00 54.97 56.12 1sqt s GLU 72 Cb 0.00 -1.92 -0.02 0.00 -0.44 0.00 0.00 34.13 31.75 1sqt s GLU 72 CO 0.00 -1.47 -0.20 -1.64 0.95 0.00 0.00 175.26 172.90 1sqt s MET 73 N -4.61 1.57 -0.13 -4.83 -1.94 -0.48 -5.00 119.30 103.88 1sqt s MET 73 Ca 0.63 -0.75 -0.05 0.00 -1.71 0.00 0.00 55.69 53.80 1sqt s MET 73 Cb -0.18 -1.55 -0.04 0.00 2.01 0.00 0.00 34.83 35.07 1sqt s MET 73 CO 0.50 0.42 0.06 0.21 -0.01 0.00 0.00 175.02 176.20 1sqt s LYS 74 N -0.60 3.50 0.10 2.03 2.20 -1.26 -1.58 119.74 124.13 1sqt s LYS 74 Ca 0.08 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.40 1sqt s LYS 74 Cb -0.08 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 1sqt s LYS 74 CO -0.00 0.55 -0.09 -0.06 -0.36 0.00 0.00 175.35 175.38 1sqt s PHE 75 N -0.41 1.04 0.36 4.03 0.40 0.15 -4.62 117.98 118.92 1sqt s PHE 75 Ca 0.09 -0.73 0.08 0.00 -0.60 0.00 0.00 56.93 55.77 1sqt s PHE 75 Cb -0.12 -0.57 -0.05 0.00 0.51 0.00 0.00 43.02 42.80 1sqt s PHE 75 CO 0.02 -0.03 0.10 -1.21 0.70 0.00 0.00 175.22 174.81 1sqt s GLU 76 N -3.18 2.23 -0.35 0.44 2.02 -0.85 -1.64 118.70 117.38 1sqt s GLU 76 Ca 0.08 -1.69 -0.12 0.00 0.02 0.00 0.00 54.97 53.27 1sqt s GLU 76 Cb -0.00 -2.04 -0.00 0.00 0.10 0.00 0.00 34.13 32.18 1sqt s GLU 76 CO -0.01 0.07 0.21 0.08 0.02 0.00 0.00 175.26 175.63 1sqt s VAL 77 N -2.50 4.93 0.18 2.63 1.01 -1.26 -1.64 120.40 123.75 1sqt s VAL 77 Ca 0.37 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1sqt s VAL 77 Cb -0.00 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.66 1sqt s VAL 77 CO 0.21 -0.06 1.42 -0.08 0.00 0.00 0.00 175.10 176.59 1sqt h GLU 78 N 8.45 0.30 -2.58 2.72 4.81 -0.08 -3.43 114.58 124.78 1sqt h GLU 78 Ca -0.30 -0.27 -0.10 0.00 -0.13 0.00 0.00 59.36 58.56 1sqt h GLU 78 Cb 1.14 0.07 -0.26 0.00 0.63 0.00 0.00 28.75 30.33 1sqt h GLU 78 CO 0.65 0.94 -0.26 1.21 -0.73 0.00 0.00 179.01 180.82 1sqt s ASN 79 N -6.96 -0.55 -0.21 1.04 2.47 -1.10 -4.96 114.94 104.67 1sqt s ASN 79 Ca -0.04 0.95 -0.04 0.00 0.42 0.00 0.00 52.86 54.15 1sqt s ASN 79 Cb 0.10 0.84 -0.01 0.00 -1.45 0.00 0.00 41.25 40.74 1sqt s ASN 79 CO 0.83 -0.19 -0.05 -0.22 -3.72 0.00 0.00 177.10 173.75 1sqt s LEU 80 N 1.32 2.88 -0.22 3.21 2.96 -1.26 -0.56 118.68 127.01 1sqt s LEU 80 Ca -0.09 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1sqt s LEU 80 Cb -0.08 -1.73 0.04 0.00 0.50 0.00 0.00 46.19 44.93 1sqt s LEU 80 CO -0.12 -0.00 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.13 1sqt s ILE 81 N 1.38 2.07 -0.01 6.68 1.01 0.77 -5.00 121.20 128.10 1sqt s ILE 81 Ca 0.05 -1.28 0.01 0.00 0.00 0.00 0.00 60.65 59.42 1sqt s ILE 81 Cb -0.14 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1sqt s ILE 81 CO -0.03 0.23 0.01 -0.76 0.00 0.00 0.00 174.94 174.40 1sqt s LEU 82 N 1.21 3.57 0.13 2.97 1.43 -1.26 -1.14 118.68 125.59 1sqt s LEU 82 Ca -0.02 0.03 -0.31 0.00 -1.03 0.00 0.00 54.13 52.80 1sqt s LEU 82 Cb -0.17 -2.03 -0.08 0.00 0.03 0.00 0.00 46.19 43.95 1sqt s LEU 82 CO -0.09 0.29 1.30 -2.28 0.23 0.00 0.00 176.35 175.80 1sqt s HIS 83 N -1.08 3.31 0.42 0.29 5.65 -1.19 -4.89 115.29 117.80 1sqt s HIS 83 Ca 0.19 1.16 0.35 0.00 0.25 0.00 0.00 55.06 57.02 1sqt s HIS 83 Cb -0.12 -3.57 1.78 0.00 -1.18 0.00 0.00 32.58 29.50 1sqt s HIS 83 CO 0.10 -1.85 2.16 1.57 -0.65 0.00 0.00 174.74 176.07 1sqt h LYS 84 N 6.21 0.00 -0.32 2.88 -0.00 -1.94 -2.47 116.57 120.93 1sqt h LYS 84 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.22 1sqt h LYS 84 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 1sqt h LYS 84 CO 0.81 0.04 0.00 -0.25 -0.00 0.00 0.00 179.45 180.05 1sqt n ASP 85 N -3.29 3.94 -4.73 7.07 10.43 -1.26 -5.03 116.55 123.68 1sqt n ASP 85 Ca -0.02 -2.82 -0.41 0.00 2.57 0.00 0.00 54.79 54.11 1sqt n ASP 85 Cb 0.19 -0.51 0.01 0.00 1.84 0.00 0.00 41.12 42.65 1sqt n ASP 85 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1sqt n TYR 86 N -0.17 2.47 -3.51 1.24 4.19 -0.93 -4.64 117.16 115.80 1sqt n TYR 86 Ca 0.21 0.49 -0.15 0.00 3.31 0.00 0.00 57.90 61.76 1sqt n TYR 86 Cb 0.85 -2.44 -0.05 0.00 0.49 0.00 0.00 39.34 38.19 1sqt n TYR 86 CO 0.00 0.00 0.00 -1.54 0.91 0.00 0.00 176.86 176.23 1sqt s SER 87 N -0.38 -0.55 -0.23 2.98 1.04 -0.73 -4.99 113.70 110.85 1sqt s SER 87 Ca 0.58 0.30 0.01 0.00 0.48 0.00 0.00 55.95 57.32 1sqt s SER 87 Cb -0.50 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.21 1sqt s SER 87 CO 0.60 -0.76 -0.07 0.00 0.98 0.00 0.00 173.24 174.00 1sqt s ALA 88 N -2.41 1.98 0.89 5.32 0.00 -1.26 0.12 121.76 126.40 1sqt s ALA 88 Ca -0.05 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 50.56 1sqt s ALA 88 Cb -0.01 -1.39 0.04 0.00 0.00 0.00 0.00 23.12 21.76 1sqt s ALA 88 CO -0.01 -1.09 0.24 -0.25 0.00 0.00 0.00 175.76 174.65 1sqt n ASP 89 N 4.67 0.07 -0.22 0.00 10.43 0.50 -5.00 116.55 127.01 1sqt n ASP 89 Ca -0.13 -1.12 -0.02 0.00 2.57 0.00 0.00 54.79 56.10 1sqt n ASP 89 Cb 0.45 -0.18 0.05 0.00 1.84 0.00 0.00 41.12 43.28 1sqt n ASP 89 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 1sqt h THR 90 N -1.00 0.29 0.00 -3.53 2.02 -2.03 -3.38 112.91 105.28 1sqt h THR 90 Ca -0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1sqt h THR 90 Cb 0.23 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1sqt h THR 90 CO 0.06 0.00 -0.65 0.18 0.37 0.00 0.00 175.52 175.49 1sqt n LEU 91 N -5.45 0.73 -4.71 2.58 4.77 -1.26 -5.06 117.00 108.61 1sqt n LEU 91 Ca 0.07 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 1sqt n LEU 91 Cb 0.35 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1sqt n LEU 91 CO 0.03 -0.32 1.06 0.00 -1.33 0.00 0.00 177.39 176.83 1sqt s ALA 92 N -2.08 3.57 -0.12 -1.18 0.00 -1.26 -4.79 121.76 115.90 1sqt s ALA 92 Ca -0.04 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 1sqt s ALA 92 Cb 0.01 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1sqt s ALA 92 CO 0.05 -0.68 0.04 -1.01 0.00 0.00 0.00 175.76 174.17 1sqt s HIS 93 N 1.44 3.26 -0.09 0.00 3.76 -1.26 -0.37 115.29 122.02 1sqt s HIS 93 Ca 0.64 0.20 0.03 0.00 -0.15 0.00 0.00 55.06 55.78 1sqt s HIS 93 Cb -0.35 -1.89 -0.01 0.00 1.11 0.00 0.00 32.58 31.44 1sqt s HIS 93 CO 0.29 0.43 -0.19 -1.01 -0.85 0.00 0.00 174.74 173.41 1sqt s HIS 94 N -0.58 2.64 -1.30 1.40 3.76 0.12 -4.64 115.29 116.68 1sqt s HIS 94 Ca 0.10 -0.72 -0.03 0.00 -0.15 0.00 0.00 55.06 54.26 1sqt s HIS 94 Cb -0.12 -1.72 -0.00 0.00 1.11 0.00 0.00 32.58 31.85 1sqt s HIS 94 CO 0.02 -0.23 0.64 0.09 -0.85 0.00 0.00 174.74 174.41 1sqt n ASN 95 N 3.24 -1.59 -3.88 1.40 3.02 -1.26 -1.77 115.26 114.43 1sqt n ASN 95 Ca -0.18 -0.89 -0.43 0.00 -0.03 0.00 0.00 54.58 53.05 1sqt n ASN 95 Cb 0.53 -3.73 0.01 0.00 -0.61 0.00 0.00 39.78 35.97 1sqt n ASN 95 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1sqt n ASP 96 N -3.00 5.39 -3.88 6.41 4.64 -1.26 -4.32 116.55 120.53 1sqt n ASP 96 Ca -0.27 -3.17 -0.11 0.00 -1.38 0.00 0.00 54.79 49.86 1sqt n ASP 96 Cb 0.67 -1.44 -0.11 0.00 -1.04 0.00 0.00 41.12 39.20 1sqt n ASP 96 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1sqt s ILE 97 N -0.26 0.06 -0.03 5.18 2.07 -1.26 -4.07 121.20 122.89 1sqt s ILE 97 Ca 0.38 -0.50 -0.21 0.00 -1.41 0.00 0.00 60.65 58.90 1sqt s ILE 97 Cb 0.09 -0.30 0.04 0.00 0.13 0.00 0.00 42.46 42.42 1sqt s ILE 97 CO 0.02 -0.28 0.46 0.00 -1.91 0.00 0.00 174.94 173.24 1sqt s ALA 98 N -0.91 -1.19 -0.11 1.50 0.00 -0.69 -3.16 121.76 117.21 1sqt s ALA 98 Ca -0.10 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1sqt s ALA 98 Cb -0.06 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1sqt s ALA 98 CO 0.01 -0.31 -0.14 -0.51 0.00 0.00 0.00 175.76 174.81 1sqt s LEU 99 N -1.30 2.69 -0.30 0.00 1.43 -0.29 -1.24 118.68 119.67 1sqt s LEU 99 Ca -0.12 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1sqt s LEU 99 Cb -0.03 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.66 1sqt s LEU 99 CO 0.06 0.20 -0.01 -0.76 0.23 0.00 0.00 176.35 176.07 1sqt s LEU 100 N 0.13 3.95 -0.26 1.79 1.02 -0.11 -0.16 118.68 125.03 1sqt s LEU 100 Ca -0.07 -1.46 -0.29 0.00 0.02 0.00 0.00 54.13 52.33 1sqt s LEU 100 Cb -0.15 -1.66 -0.01 0.00 0.02 0.00 0.00 46.19 44.39 1sqt s LEU 100 CO 0.05 -0.27 1.35 -0.75 0.02 0.00 0.00 176.35 176.74 1sqt s LYS 101 N 1.16 3.95 0.22 1.70 2.20 0.27 -2.00 119.74 127.25 1sqt s LYS 101 Ca -0.04 1.39 -0.01 0.00 -0.36 0.00 0.00 55.97 56.95 1sqt s LYS 101 Cb -0.20 -3.89 -0.04 0.00 -1.51 0.00 0.00 37.83 32.19 1sqt s LYS 101 CO -0.03 -1.08 0.42 0.96 -0.36 0.00 0.00 175.35 175.26 1sqt s ILE 102 N 4.36 5.18 -0.29 5.43 -4.36 -0.45 0.66 121.20 131.74 1sqt s ILE 102 Ca 0.58 -0.34 -0.14 0.00 -0.26 0.00 0.00 60.65 60.50 1sqt s ILE 102 Cb -0.19 -3.74 0.11 0.00 1.25 0.00 0.00 42.46 39.89 1sqt s ILE 102 CO 0.23 -0.21 0.71 -0.60 0.24 0.00 0.00 174.94 175.30 1sqt s ARG 103 N -3.42 0.62 1.09 0.37 3.52 -0.65 -4.59 118.95 115.88 1sqt s ARG 103 Ca 0.39 1.25 -0.14 0.00 -0.13 0.00 0.00 55.73 57.10 1sqt s ARG 103 Cb -0.11 0.42 0.23 0.00 -1.56 0.00 0.00 34.95 33.94 1sqt s ARG 103 CO 0.29 -0.16 1.08 -1.54 -0.81 0.00 0.00 175.30 174.16 1sqt s SER 104 N 2.12 1.84 0.61 -2.12 1.04 0.12 -2.01 113.70 115.30 1sqt s SER 104 Ca -0.08 1.13 0.37 0.00 0.48 0.00 0.00 55.95 57.85 1sqt s SER 104 Cb -0.08 -1.76 1.97 0.00 0.10 0.00 0.00 66.02 66.26 1sqt s SER 104 CO -0.19 -3.61 2.23 0.11 0.98 0.00 0.00 173.24 172.76 1sqt h LYS 105 N -2.22 0.00 -0.01 4.02 1.57 -1.90 0.44 116.57 118.46 1sqt h LYS 105 Ca -0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1sqt h LYS 105 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1sqt h LYS 105 CO 0.52 0.02 -0.11 0.39 -0.57 0.00 0.00 179.45 179.71 1sqt n GLU 106 N -3.31 1.25 -0.25 3.15 4.71 -1.26 -4.95 120.64 119.97 1sqt n GLU 106 Ca -0.02 -0.69 0.00 0.00 -0.01 0.00 0.00 57.16 56.44 1sqt n GLU 106 Cb 0.15 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 1sqt n GLU 106 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sqt n GLY 107 N 1.24 0.86 3.91 0.62 0.00 0.14 -5.07 105.19 106.90 1sqt n GLY 107 Ca 0.16 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1sqt n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqt s ARG 108 N -0.68 3.30 0.84 1.61 0.52 -1.26 -4.72 118.95 118.55 1sqt s ARG 108 Ca 0.00 -0.73 -0.07 0.00 -0.52 0.00 0.00 55.73 54.41 1sqt s ARG 108 Cb 0.00 -2.85 0.17 0.00 0.52 0.00 0.00 34.95 32.79 1sqt s ARG 108 CO 0.00 0.48 1.15 0.00 0.02 0.00 0.00 175.30 176.95 1sqt s ALA 110 N -3.48 2.08 -0.30 0.00 0.00 -0.44 -4.84 121.76 114.78 1sqt s ALA 110 Ca 0.71 0.95 0.02 0.00 0.00 0.00 0.00 51.96 53.64 1sqt s ALA 110 Cb -0.04 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.66 1sqt s ALA 110 CO 0.48 -1.96 -0.03 -1.14 0.00 0.00 0.00 175.76 173.12 1sqt s GLN 111 N -3.86 2.02 0.25 0.00 2.00 -1.26 -4.81 119.66 114.00 1sqt s GLN 111 Ca 0.76 -1.52 -0.30 0.00 -2.00 0.00 0.00 55.36 52.29 1sqt s GLN 111 Cb -0.31 -3.07 -0.14 0.00 0.80 0.00 0.00 33.01 30.29 1sqt s GLN 111 CO 0.46 -0.72 1.22 -2.30 -0.50 0.00 0.00 175.29 173.45 1sqt n PRO 112 N 4.41 1.62 -0.84 1.67 -0.02 -1.26 -4.86 135.00 135.72 1sqt n PRO 112 Ca -0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1sqt n PRO 112 Cb 0.42 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1sqt n PRO 112 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sqt n SER 113 N 1.71 0.00 0.19 2.55 3.41 0.49 -4.97 113.62 117.01 1sqt n SER 113 Ca 0.11 -0.50 0.06 0.00 -0.26 0.00 0.00 58.87 58.28 1sqt n SER 113 Cb 0.30 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.60 1sqt n SER 113 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1sqt h ARG 114 N 0.00 0.00 -0.01 4.33 2.43 -1.98 -3.21 114.38 115.94 1sqt h ARG 114 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sqt h ARG 114 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1sqt h ARG 114 CO 0.00 0.35 -0.12 0.25 -1.51 0.00 0.00 179.97 178.94 1sqt n THR 115 N -3.51 0.00 -3.86 0.20 -2.24 -1.26 -4.79 114.28 98.82 1sqt n THR 115 Ca -0.00 -0.44 -0.28 0.00 -2.27 0.00 0.00 64.05 61.05 1sqt n THR 115 Cb 0.50 1.11 -0.16 0.00 -2.10 0.00 0.00 70.33 69.68 1sqt n THR 115 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1sqt s ILE 116 N -1.04 1.04 -0.00 2.28 1.01 -1.21 -3.75 121.20 119.53 1sqt s ILE 116 Ca 0.07 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.88 1sqt s ILE 116 Cb 0.06 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1sqt s ILE 116 CO 0.17 -0.03 0.18 -1.10 0.00 0.00 0.00 174.94 174.16 1sqt s GLN 117 N 1.64 0.53 0.65 2.79 -1.52 -0.69 -0.38 119.66 122.69 1sqt s GLN 117 Ca -0.01 -0.36 -0.11 0.00 -1.95 0.00 0.00 55.36 52.93 1sqt s GLN 117 Cb -0.17 0.22 -0.02 0.00 -0.22 0.00 0.00 33.01 32.83 1sqt s GLN 117 CO -0.07 -0.13 1.04 0.95 -0.25 0.00 0.00 175.29 176.83 1sqt s THR 118 N -1.38 4.41 -0.02 -0.19 -4.23 -1.26 -2.72 115.64 110.25 1sqt s THR 118 Ca -0.14 0.78 0.04 0.00 -1.18 0.00 0.00 61.69 61.19 1sqt s THR 118 Cb -0.07 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 1sqt s THR 118 CO 0.02 -1.02 -0.13 -0.63 -0.54 0.00 0.00 174.62 172.31 1sqt s ILE 119 N -3.14 3.14 0.35 2.99 1.09 -0.33 -4.81 121.20 120.49 1sqt s ILE 119 Ca 0.56 -0.84 -0.27 0.00 -1.10 0.00 0.00 60.65 59.00 1sqt s ILE 119 Cb -0.12 -2.28 -0.09 0.00 -1.06 0.00 0.00 42.46 38.91 1sqt s ILE 119 CO 0.54 0.49 1.16 0.00 -0.10 0.00 0.00 174.94 177.03 1sqt s LEU 121 N -2.07 3.58 1.07 0.00 1.02 -1.26 -1.00 118.68 120.03 1sqt s LEU 121 Ca 0.52 1.65 -0.12 0.00 0.02 0.00 0.00 54.13 56.19 1sqt s LEU 121 Cb -0.32 -4.52 0.23 0.00 0.02 0.00 0.00 46.19 41.61 1sqt s LEU 121 CO 0.41 -0.77 1.06 -2.16 0.02 0.00 0.00 176.35 174.91 1sqt s PRO 122 N -4.08 -0.18 0.14 1.29 0.04 -1.26 -4.82 135.00 126.13 1sqt s PRO 122 Ca 0.60 0.85 0.03 0.00 0.04 0.00 0.00 61.00 62.53 1sqt s PRO 122 Cb -0.12 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1sqt s PRO 122 CO 0.33 -3.23 0.20 -1.54 0.04 0.00 0.00 177.00 172.80 1sqt s SER 123 N -2.84 5.95 0.22 6.66 1.04 -1.26 -4.92 113.70 118.55 1sqt s SER 123 Ca 0.67 0.05 -0.32 0.00 0.48 0.00 0.00 55.95 56.83 1sqt s SER 123 Cb -0.23 -1.70 -0.13 0.00 0.10 0.00 0.00 66.02 64.06 1sqt s SER 123 CO 0.61 0.08 1.46 0.23 0.98 0.00 0.00 173.24 176.61 1sqt n MET 124 N -0.28 2.11 -2.16 4.02 2.81 -1.26 -1.80 117.12 120.56 1sqt n MET 124 Ca -0.07 0.75 -0.20 0.00 -1.81 0.00 0.00 57.70 56.37 1sqt n MET 124 Cb 0.54 -2.45 -0.03 0.00 -0.71 0.00 0.00 33.22 30.57 1sqt n MET 124 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1sqt n TYR 125 N 2.29 -0.75 -3.64 2.03 4.02 -1.26 -4.95 117.16 114.89 1sqt n TYR 125 Ca 0.13 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.72 1sqt n TYR 125 Cb 0.31 -3.70 -0.13 0.00 -0.02 0.00 0.00 39.34 35.81 1sqt n TYR 125 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1sqt s ASN 126 N -2.24 3.48 0.22 7.72 3.84 -0.74 -5.07 114.94 122.15 1sqt s ASN 126 Ca 0.00 -2.44 0.10 0.00 0.21 0.00 0.00 52.86 50.73 1sqt s ASN 126 Cb 0.00 -0.84 -0.04 0.00 -0.55 0.00 0.00 41.25 39.81 1sqt s ASN 126 CO 0.00 -0.29 -0.14 -1.81 -2.79 0.00 0.00 177.10 172.07 1sqt s ASP 127 N 0.63 3.94 0.78 -4.21 -0.00 -1.26 -4.37 116.67 112.18 1sqt s ASP 127 Ca 0.17 -0.77 -0.11 0.00 -0.00 0.00 0.00 52.55 51.84 1sqt s ASP 127 Cb -0.24 -0.52 0.06 0.00 -0.00 0.00 0.00 42.92 42.22 1sqt s ASP 127 CO -0.01 0.07 1.10 -2.16 -0.00 0.00 0.00 175.17 174.18 1sqt s PRO 128 N -3.12 2.15 0.60 8.23 0.04 -1.26 -5.03 135.00 136.62 1sqt s PRO 128 Ca 0.26 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.42 1sqt s PRO 128 Cb -0.07 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1sqt s PRO 128 CO 0.15 -1.74 1.06 1.14 0.04 0.00 0.00 177.00 177.64 1sqt s GLN 129 N -4.74 3.29 0.58 4.56 -2.07 -1.26 -5.00 119.66 115.02 1sqt s GLN 129 Ca 0.63 1.17 -0.20 0.00 -1.82 0.00 0.00 55.36 55.14 1sqt s GLN 129 Cb -0.19 -2.03 -0.04 0.00 -1.09 0.00 0.00 33.01 29.66 1sqt s GLN 129 CO 0.54 -0.83 1.18 1.97 -1.32 0.00 0.00 175.29 176.82 1sqt n PHE 130 N -2.15 1.60 0.00 9.60 1.16 -1.26 -2.78 117.46 123.63 1sqt n PHE 130 Ca 0.09 0.44 0.00 0.00 -1.87 0.00 0.00 57.45 56.10 1sqt n PHE 130 Cb 0.53 -2.25 0.00 0.00 -1.61 0.00 0.00 39.48 36.15 1sqt n PHE 130 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1sqt n GLY 131 N 1.02 2.21 3.75 4.97 0.00 0.92 -4.97 105.19 113.08 1sqt n GLY 131 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1sqt n GLY 131 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqt s THR 132 N -2.55 2.45 0.13 2.61 2.01 -1.12 -4.67 115.64 114.51 1sqt s THR 132 Ca 0.00 0.38 -0.29 0.00 0.31 0.00 0.00 61.69 62.09 1sqt s THR 132 Cb 0.00 -3.24 -0.07 0.00 0.01 0.00 0.00 72.50 69.20 1sqt s THR 132 CO 0.00 0.06 0.90 -0.44 -0.69 0.00 0.00 174.62 174.45 1sqt s SER 133 N 0.44 7.46 0.08 3.53 0.01 -1.26 -1.29 113.70 122.66 1sqt s SER 133 Ca 0.61 1.74 0.01 0.00 1.31 0.00 0.00 55.95 59.62 1sqt s SER 133 Cb -0.44 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.19 1sqt s SER 133 CO 0.44 0.02 -0.06 0.00 0.41 0.00 0.00 173.24 174.05 1sqt s GLU 135 N -3.35 2.75 0.16 0.00 -1.05 -0.56 -1.25 118.70 115.40 1sqt s GLU 135 Ca 0.06 -0.74 0.09 0.00 -0.15 0.00 0.00 54.97 54.23 1sqt s GLU 135 Cb 0.02 -2.65 -0.04 0.00 -0.44 0.00 0.00 34.13 31.02 1sqt s GLU 135 CO -0.05 0.56 -0.20 0.96 0.95 0.00 0.00 175.26 177.48 1sqt s ILE 136 N -1.34 1.92 0.02 1.83 -4.36 -0.37 -1.63 121.20 117.28 1sqt s ILE 136 Ca 0.27 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 58.80 1sqt s ILE 136 Cb -0.12 -1.86 -0.01 0.00 1.25 0.00 0.00 42.46 41.72 1sqt s ILE 136 CO 0.20 -0.23 -0.06 -0.89 0.24 0.00 0.00 174.94 174.20 1sqt s THR 137 N -1.81 0.43 -0.07 8.37 2.01 -1.25 -2.20 115.64 121.12 1sqt s THR 137 Ca 0.15 -0.59 -0.32 0.00 0.31 0.00 0.00 61.69 61.25 1sqt s THR 137 Cb -0.07 -0.43 0.13 0.00 0.01 0.00 0.00 72.50 72.14 1sqt s THR 137 CO 0.07 -0.12 1.38 -0.83 -0.69 0.00 0.00 174.62 174.43 1sqt s GLY 138 N -0.76 -0.39 -0.03 4.40 0.00 -1.03 -4.49 107.32 105.02 1sqt s GLY 138 Ca -0.04 0.65 0.16 0.00 0.00 0.00 0.00 44.72 45.49 1sqt s GLY 138 CO 0.00 2.18 1.42 0.69 0.00 0.00 0.00 173.10 177.39 1sqt n PHE 139 N -0.64 0.83 -0.69 1.90 3.72 -1.26 -2.51 117.46 118.80 1sqt n PHE 139 Ca -0.05 -0.55 -0.29 0.00 -0.05 0.00 0.00 57.45 56.51 1sqt n PHE 139 Cb 0.62 -0.08 0.25 0.00 -0.94 0.00 0.00 39.48 39.33 1sqt n PHE 139 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1sqt s GLY 140 N -1.07 1.51 0.45 1.37 0.00 -1.26 -3.95 107.32 104.37 1sqt s GLY 140 Ca 0.37 -0.60 -0.24 0.00 0.00 0.00 0.00 44.72 44.26 1sqt s GLY 140 CO 0.22 0.25 1.12 0.28 0.00 0.00 0.00 173.10 174.97 1sqt n LYS 141 N -5.05 1.52 0.11 2.90 5.02 -0.51 -2.65 118.16 119.50 1sqt n LYS 141 Ca 0.09 0.55 0.12 0.00 -2.02 0.00 0.00 58.31 57.04 1sqt n LYS 141 Cb 0.58 -2.21 0.03 0.00 -0.02 0.00 0.00 35.03 33.40 1sqt n LYS 141 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1sqt h GLU 142 N 1.59 0.00 -3.04 1.97 5.08 -1.85 -0.90 114.58 117.43 1sqt h GLU 142 Ca -0.47 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.76 1sqt h GLU 142 Cb 1.32 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.35 1sqt h GLU 142 CO 0.57 0.00 -0.32 -0.80 -1.00 0.00 0.00 179.01 177.46 1sqt s ASN 143 N -5.31 -0.23 0.37 1.42 -0.87 -1.26 -4.12 114.94 104.94 1sqt s ASN 143 Ca 0.01 0.28 0.06 0.00 -1.57 0.00 0.00 52.86 51.64 1sqt s ASN 143 Cb 0.10 0.44 0.75 0.00 -0.02 0.00 0.00 41.25 42.51 1sqt s ASN 143 CO 0.78 -0.31 1.99 0.28 -2.57 0.00 0.00 177.10 177.27 1sqt h SER 144 N 4.61 0.64 0.36 -1.22 0.02 -1.89 -2.29 113.55 113.77 1sqt h SER 144 Ca -0.28 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1sqt h SER 144 Cb 1.18 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1sqt h SER 144 CO 0.36 0.43 -0.07 0.35 -1.14 0.00 0.00 176.83 176.77 1sqt n THR 145 N -4.47 0.00 -2.19 -2.27 -2.24 -1.26 -4.86 114.28 96.99 1sqt n THR 145 Ca 0.08 -0.04 -0.37 0.00 -2.27 0.00 0.00 64.05 61.45 1sqt n THR 145 Cb 0.16 -0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1sqt n THR 145 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sqt s ASP 146 N -2.43 6.10 -0.06 3.42 -0.00 -0.87 -4.97 116.67 117.86 1sqt s ASP 146 Ca 0.31 2.39 0.17 0.00 -0.00 0.00 0.00 52.55 55.42 1sqt s ASP 146 Cb 0.20 -2.61 -0.26 0.00 -0.00 0.00 0.00 42.92 40.25 1sqt s ASP 146 CO 0.46 -0.97 0.30 0.00 -0.00 0.00 0.00 175.17 174.95 1sqt n TYR 147 N -0.46 0.00 -3.16 4.23 4.11 -1.26 -4.97 117.16 115.65 1sqt n TYR 147 Ca 0.07 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.71 1sqt n TYR 147 Cb 0.47 -0.53 -0.02 0.00 -0.00 0.00 0.00 39.34 39.27 1sqt n TYR 147 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1sqt s LEU 148 N -4.52 3.93 0.16 -3.48 1.43 -1.26 -5.08 118.68 109.85 1sqt s LEU 148 Ca -0.07 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 1sqt s LEU 148 Cb 0.10 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1sqt s LEU 148 CO 0.73 -0.33 0.25 -0.31 0.23 0.00 0.00 176.35 176.92 1sqt s TYR 149 N -2.34 3.39 0.44 0.29 4.12 -1.26 -4.71 117.35 117.27 1sqt s TYR 149 Ca 0.44 0.07 -0.25 0.00 0.02 0.00 0.00 57.07 57.34 1sqt s TYR 149 Cb -0.10 -1.62 -0.08 0.00 -1.52 0.00 0.00 41.96 38.64 1sqt s TYR 149 CO 0.36 0.51 1.37 -1.25 0.02 0.00 0.00 175.55 176.56 1sqt s PRO 150 N -3.26 3.79 0.26 -1.71 0.04 -1.25 -4.94 135.00 127.92 1sqt s PRO 150 Ca 0.34 2.29 -0.00 0.00 0.04 0.00 0.00 61.00 63.66 1sqt s PRO 150 Cb -0.11 -2.68 0.33 0.00 0.04 0.00 0.00 34.50 32.08 1sqt s PRO 150 CO 0.27 -0.69 1.70 1.49 0.04 0.00 0.00 177.00 179.81 1sqt h GLU 151 N 2.44 0.62 -5.67 4.56 4.57 -1.98 -3.43 114.58 115.68 1sqt h GLU 151 Ca -0.50 -0.23 -0.66 0.00 -1.18 0.00 0.00 59.36 56.79 1sqt h GLU 151 Cb 1.26 -0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.70 1sqt h GLU 151 CO 0.62 0.78 -0.54 -1.14 -1.18 0.00 0.00 179.01 177.55 1sqt s GLN 152 N -4.60 3.41 0.35 1.92 0.74 -1.26 -0.11 119.66 120.11 1sqt s GLN 152 Ca -0.08 -0.25 -0.27 0.00 0.05 0.00 0.00 55.36 54.81 1sqt s GLN 152 Cb 0.14 -3.08 -0.12 0.00 1.10 0.00 0.00 33.01 31.05 1sqt s GLN 152 CO 0.81 0.66 1.12 -0.11 -0.55 0.00 0.00 175.29 177.21 1sqt n LEU 153 N 2.34 2.77 -4.47 3.68 7.94 -0.91 -4.87 117.00 123.48 1sqt n LEU 153 Ca -0.19 1.14 -0.23 0.00 -1.11 0.00 0.00 56.01 55.63 1sqt n LEU 153 Cb 0.54 -1.39 -0.10 0.00 0.53 0.00 0.00 43.42 43.00 1sqt n LEU 153 CO 0.31 -1.07 -0.34 -0.54 -1.11 0.00 0.00 177.39 174.64 1sqt s LYS 154 N -1.84 1.66 0.12 1.96 1.02 -1.05 -1.22 119.74 120.39 1sqt s LYS 154 Ca 0.59 -1.87 -0.15 0.00 0.02 0.00 0.00 55.97 54.56 1sqt s LYS 154 Cb -0.60 -1.22 0.03 0.00 -0.52 0.00 0.00 37.83 35.51 1sqt s LYS 154 CO 0.60 -0.01 0.37 0.00 -0.92 0.00 0.00 175.35 175.39 1sqt s MET 155 N -3.74 1.04 0.30 1.68 0.23 -0.51 -2.46 119.30 115.84 1sqt s MET 155 Ca 0.32 -0.77 -0.18 0.00 -1.03 0.00 0.00 55.69 54.03 1sqt s MET 155 Cb 0.05 0.45 0.02 0.00 -1.53 0.00 0.00 34.83 33.82 1sqt s MET 155 CO 0.14 -0.40 0.68 -0.08 -2.03 0.00 0.00 175.02 173.33 1sqt s THR 156 N -3.82 0.00 -0.02 3.16 -1.32 -0.94 -1.43 115.64 111.27 1sqt s THR 156 Ca 0.04 -1.10 0.07 0.00 -1.21 0.00 0.00 61.69 59.49 1sqt s THR 156 Cb 0.02 -2.26 -0.02 0.00 -1.51 0.00 0.00 72.50 68.74 1sqt s THR 156 CO -0.11 0.00 -0.25 -0.69 -2.21 0.00 0.00 174.62 171.36 1sqt s VAL 157 N -3.55 1.97 0.21 5.08 1.01 -1.26 -1.23 120.40 122.62 1sqt s VAL 157 Ca 0.15 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1sqt s VAL 157 Cb -0.05 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1sqt s VAL 157 CO 0.09 0.56 0.01 0.68 0.00 0.00 0.00 175.10 176.44 1sqt s VAL 158 N -0.53 0.78 -0.08 2.92 -7.23 -0.38 -4.85 120.40 111.04 1sqt s VAL 158 Ca 0.08 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 1sqt s VAL 158 Cb -0.10 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 1sqt s VAL 158 CO -0.00 -0.35 -0.12 -0.54 -0.31 0.00 0.00 175.10 173.78 1sqt s LYS 159 N -3.91 2.82 0.33 4.82 1.02 -0.35 -0.50 119.74 123.97 1sqt s LYS 159 Ca 0.28 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 55.33 1sqt s LYS 159 Cb 0.06 -2.51 -0.11 0.00 -0.52 0.00 0.00 37.83 34.75 1sqt s LYS 159 CO 0.07 0.52 1.46 -0.51 -0.92 0.00 0.00 175.35 175.97 1sqt s LEU 160 N -0.45 4.36 -0.04 3.17 1.43 -0.41 -1.37 118.68 125.37 1sqt s LEU 160 Ca 0.06 2.89 0.06 0.00 -1.03 0.00 0.00 54.13 56.10 1sqt s LEU 160 Cb -0.12 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 1sqt s LEU 160 CO 0.02 -0.78 -0.21 -0.63 0.23 0.00 0.00 176.35 174.98 1sqt s ILE 161 N -0.70 2.45 0.80 -0.59 1.01 -0.34 -0.06 121.20 123.78 1sqt s ILE 161 Ca 0.55 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 1sqt s ILE 161 Cb -0.44 -1.91 0.08 0.00 0.01 0.00 0.00 42.46 40.20 1sqt s ILE 161 CO 0.54 0.58 1.14 -0.94 0.00 0.00 0.00 174.94 176.27 1sqt s SER 162 N -0.55 3.93 0.17 3.58 1.04 -1.26 -4.15 113.70 116.46 1sqt s SER 162 Ca 0.08 2.12 -0.14 0.00 0.48 0.00 0.00 55.95 58.48 1sqt s SER 162 Cb -0.11 -2.56 0.10 0.00 0.10 0.00 0.00 66.02 63.55 1sqt s SER 162 CO 0.00 -2.43 1.79 -0.74 0.98 0.00 0.00 173.24 172.85 1sqt h HIS 163 N -1.03 0.46 -0.05 5.02 2.76 -1.96 -1.28 115.15 119.06 1sqt h HIS 163 Ca -0.45 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 57.64 1sqt h HIS 163 Cb 1.26 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 30.07 1sqt h HIS 163 CO 0.52 0.24 -0.45 0.07 -1.30 0.00 0.00 177.93 177.01 1sqt h ARG 164 N 0.49 0.12 -0.43 5.26 0.11 -1.97 -0.34 114.38 117.61 1sqt h ARG 164 Ca 0.20 -0.06 -0.13 0.00 0.10 0.00 0.00 59.98 60.10 1sqt h ARG 164 Cb 0.09 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 1sqt h ARG 164 CO -0.13 0.54 -0.22 1.49 0.10 0.00 0.00 179.97 181.76 1sqt h GLU 165 N 0.10 0.91 0.00 0.08 4.81 -1.90 -3.24 114.58 115.34 1sqt h GLU 165 Ca 0.01 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.78 1sqt h GLU 165 Cb 0.83 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1sqt h GLU 165 CO 0.06 1.06 -0.26 0.00 -0.73 0.00 0.00 179.01 179.15 1sqt n GLN 167 N -3.48 1.01 -2.12 0.00 6.02 -0.18 -0.47 117.38 118.16 1sqt n GLN 167 Ca -0.00 -0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.64 1sqt n GLN 167 Cb 0.43 -1.10 0.01 0.00 1.02 0.00 0.00 30.24 30.59 1sqt n GLN 167 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1sqt s GLN 168 N -2.00 3.28 0.35 -1.09 -1.52 -1.07 -3.35 119.66 114.26 1sqt s GLN 168 Ca 0.10 1.38 0.10 0.00 -1.95 0.00 0.00 55.36 54.99 1sqt s GLN 168 Cb 0.05 -2.02 0.85 0.00 -0.22 0.00 0.00 33.01 31.67 1sqt s GLN 168 CO 0.08 -0.86 1.82 -1.00 -0.25 0.00 0.00 175.29 175.08 1sqt h PRO 169 N 0.73 0.64 -0.00 2.91 0.13 -1.91 -1.58 132.00 132.92 1sqt h PRO 169 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1sqt h PRO 169 Cb 1.24 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1sqt h PRO 169 CO 0.57 0.42 -0.09 0.72 -0.23 0.00 0.00 178.00 179.39 1sqt n HIS 170 N -4.63 0.00 0.00 1.56 8.25 -1.26 -4.52 115.22 114.62 1sqt n HIS 170 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1sqt n HIS 170 Cb 0.57 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1sqt n HIS 170 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1sqt n TYR 171 N -1.41 0.00 -0.01 4.41 4.02 -0.65 -4.70 117.16 118.82 1sqt n TYR 171 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 1sqt n TYR 171 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 1sqt n TYR 171 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1sqt n TYR 172 N 0.00 0.00 -4.02 -0.72 4.01 0.38 -4.91 117.16 111.91 1sqt n TYR 172 Ca 0.00 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1sqt n TYR 172 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1sqt n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sqt n GLY 173 N -0.21 1.95 0.00 2.72 0.00 -0.86 -2.25 105.19 106.55 1sqt n GLY 173 Ca 0.00 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.69 1sqt n GLY 173 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sqt n SER 174 N -1.13 0.00 0.20 1.61 7.64 -1.26 -3.52 113.62 117.16 1sqt n SER 174 Ca 0.00 -0.92 0.06 0.00 1.01 0.00 0.00 58.87 59.02 1sqt n SER 174 Cb 0.00 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 63.61 1sqt n SER 174 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1sqt h GLU 175 N 0.00 0.00 -5.66 1.43 5.08 -1.85 -3.41 114.58 110.17 1sqt h GLU 175 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1sqt h GLU 175 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1sqt h GLU 175 CO 0.00 0.33 -0.33 0.54 -1.00 0.00 0.00 179.01 178.56 1sqt s VAL 176 N -3.83 5.27 0.48 3.13 0.11 -1.23 -4.82 120.40 119.52 1sqt s VAL 176 Ca -0.01 0.55 0.06 0.00 -2.93 0.00 0.00 61.98 59.65 1sqt s VAL 176 Cb 0.12 -3.60 -0.01 0.00 -1.53 0.00 0.00 36.38 31.36 1sqt s VAL 176 CO 0.68 0.49 0.28 0.42 -3.33 0.00 0.00 175.10 173.64 1sqt s THR 177 N -0.26 1.95 -0.40 5.04 -4.23 -1.26 -4.90 115.64 111.58 1sqt s THR 177 Ca 0.18 -1.59 0.24 0.00 -1.18 0.00 0.00 61.69 59.33 1sqt s THR 177 Cb -0.14 -2.54 0.25 0.00 1.34 0.00 0.00 72.50 71.41 1sqt s THR 177 CO 0.06 0.00 1.71 0.35 -0.54 0.00 0.00 174.62 176.21 1sqt n THR 178 N -1.51 0.86 1.45 3.99 -2.24 -1.26 -1.85 114.28 113.73 1sqt n THR 178 Ca -0.03 0.33 0.03 0.00 -2.27 0.00 0.00 64.05 62.11 1sqt n THR 178 Cb 0.64 -1.28 0.08 0.00 -2.10 0.00 0.00 70.33 67.67 1sqt n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sqt n LYS 179 N -2.28 1.40 -4.17 -0.78 5.02 -1.26 -4.88 118.16 111.21 1sqt n LYS 179 Ca 0.01 -0.62 -0.17 0.00 -2.02 0.00 0.00 58.31 55.52 1sqt n LYS 179 Cb 0.19 -1.13 -0.12 0.00 -0.02 0.00 0.00 35.03 33.95 1sqt n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1sqt s MET 180 N -1.77 0.81 -0.08 1.97 -1.94 -0.77 -2.66 119.30 114.85 1sqt s MET 180 Ca 0.12 -0.99 0.05 0.00 -1.71 0.00 0.00 55.69 53.15 1sqt s MET 180 Cb 0.06 -0.72 -0.00 0.00 2.01 0.00 0.00 34.83 36.18 1sqt s MET 180 CO 0.08 0.15 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.48 1sqt s LEU 181 N -1.92 2.08 -0.04 -0.03 1.43 0.45 -4.81 118.68 115.85 1sqt s LEU 181 Ca -0.01 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.52 1sqt s LEU 181 Cb -0.08 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1sqt s LEU 181 CO 0.02 0.19 0.16 0.00 0.23 0.00 0.00 176.35 176.95 1sqt s ALA 183 N -1.24 -0.76 0.33 0.00 0.00 -0.75 -1.19 121.76 118.15 1sqt s ALA 183 Ca 0.24 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 1sqt s ALA 183 Cb -0.12 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1sqt s ALA 183 CO 0.15 -0.16 0.71 0.00 0.00 0.00 0.00 175.76 176.46 1sqt s ALA 184 N -0.03 -0.74 -0.04 0.00 0.00 -0.47 -1.49 121.76 118.99 1sqt s ALA 184 Ca -0.02 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 1sqt s ALA 184 Cb -0.03 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1sqt s ALA 184 CO 0.01 -0.98 0.75 0.34 0.00 0.00 0.00 175.76 175.88 1sqt s ASP 185 N -3.03 7.08 0.42 0.00 3.68 -1.25 -1.21 116.67 122.36 1sqt s ASP 185 Ca 0.16 1.30 0.16 0.00 2.13 0.00 0.00 52.55 56.29 1sqt s ASP 185 Cb -0.05 -2.44 1.04 0.00 -1.45 0.00 0.00 42.92 40.03 1sqt s ASP 185 CO 0.10 -0.12 1.89 -0.65 0.13 0.00 0.00 175.17 176.53 1sqt h PRO 186 N 6.60 0.42 -0.14 4.34 0.11 -1.94 -1.00 132.00 140.39 1sqt h PRO 186 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sqt h PRO 186 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1sqt h PRO 186 CO 0.75 0.28 0.00 1.04 -0.21 0.00 0.00 178.00 179.86 1sqt n GLN 187 N -4.50 1.82 -3.03 1.05 1.13 -1.26 -4.96 117.38 107.64 1sqt n GLN 187 Ca 0.17 -1.22 -0.22 0.00 -1.94 0.00 0.00 57.00 53.79 1sqt n GLN 187 Cb 0.59 -1.43 0.02 0.00 0.11 0.00 0.00 30.24 29.53 1sqt n GLN 187 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1sqt n TRP 188 N 0.45 -1.81 0.60 1.08 7.02 -0.38 -4.89 117.44 119.52 1sqt n TRP 188 Ca 0.17 0.43 0.07 0.00 -1.02 0.00 0.00 57.50 57.15 1sqt n TRP 188 Cb 0.38 -3.87 -0.09 0.00 -2.42 0.00 0.00 31.31 25.30 1sqt n TRP 188 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1sqt n LYS 189 N -3.78 1.69 -3.94 -0.99 4.76 -1.26 -4.57 118.16 110.07 1sqt n LYS 189 Ca -0.10 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.22 1sqt n LYS 189 Cb 0.60 -1.25 -0.11 0.00 -1.84 0.00 0.00 35.03 32.43 1sqt n LYS 189 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1sqt s THR 190 N -2.56 0.10 -0.05 -0.18 -1.32 -1.26 -4.37 115.64 105.99 1sqt s THR 190 Ca 0.04 -0.79 -0.31 0.00 -1.21 0.00 0.00 61.69 59.42 1sqt s THR 190 Cb 0.11 -0.30 0.12 0.00 -1.51 0.00 0.00 72.50 70.92 1sqt s THR 190 CO 0.64 -0.43 1.22 -0.62 -2.21 0.00 0.00 174.62 173.21 1sqt s ASP 191 N -1.35 -0.10 0.85 8.08 2.15 -1.20 -3.92 116.67 121.17 1sqt s ASP 191 Ca -0.15 -0.12 -0.11 0.00 0.43 0.00 0.00 52.55 52.60 1sqt s ASP 191 Cb -0.09 0.20 0.10 0.00 -0.30 0.00 0.00 42.92 42.83 1sqt s ASP 191 CO -0.00 -0.35 1.09 -0.94 -0.17 0.00 0.00 175.17 174.80 1sqt s SER 192 N -2.73 3.89 0.36 -0.34 1.04 -1.26 -1.47 113.70 113.19 1sqt s SER 192 Ca 0.12 1.50 -0.08 0.00 0.48 0.00 0.00 55.95 57.97 1sqt s SER 192 Cb 0.02 -2.20 0.03 0.00 0.10 0.00 0.00 66.02 63.97 1sqt s SER 192 CO -0.04 -2.37 0.61 0.00 0.98 0.00 0.00 173.24 172.42 1sqt n GLN 194 N -0.55 0.53 0.00 0.00 7.27 -1.26 -1.66 117.38 121.71 1sqt n GLN 194 Ca -0.03 0.19 0.00 0.00 0.07 0.00 0.00 57.00 57.23 1sqt n GLN 194 Cb 0.61 -1.76 0.00 0.00 2.41 0.00 0.00 30.24 31.49 1sqt n GLN 194 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sqt n GLY 195 N 2.52 2.66 0.03 1.69 0.00 -1.26 -1.42 105.19 109.41 1sqt n GLY 195 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 1sqt n GLY 195 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqt n ASP 196 N 0.00 0.28 -4.66 1.61 8.00 -0.66 -4.05 116.55 117.07 1sqt n ASP 196 Ca 0.00 0.41 -0.41 0.00 0.71 0.00 0.00 54.79 55.50 1sqt n ASP 196 Cb 0.00 -0.44 0.01 0.00 -0.02 0.00 0.00 41.12 40.67 1sqt n ASP 196 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sqt n SER 197 N -1.70 1.93 0.00 -2.24 7.64 -1.26 -2.30 113.62 115.69 1sqt n SER 197 Ca 0.06 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1sqt n SER 197 Cb 0.37 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1sqt n SER 197 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sqt n GLY 198 N 0.99 2.99 3.72 0.23 0.00 0.14 -2.21 105.19 111.05 1sqt n GLY 198 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1sqt n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sqt s GLY 199 N -1.78 1.59 0.15 -0.02 0.00 -0.97 -3.77 107.32 102.52 1sqt s GLY 199 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 1sqt s GLY 199 CO 0.00 0.02 1.16 2.56 0.00 0.00 0.00 173.10 176.84 1sqt s PRO 200 N -5.28 4.52 -0.37 2.90 0.04 -1.26 -1.25 135.00 134.30 1sqt s PRO 200 Ca 0.67 1.78 -0.05 0.00 0.04 0.00 0.00 61.00 63.44 1sqt s PRO 200 Cb -0.14 -3.29 0.07 0.00 0.04 0.00 0.00 34.50 31.19 1sqt s PRO 200 CO 0.55 -0.07 0.14 -1.17 0.04 0.00 0.00 177.00 176.50 1sqt s LEU 201 N 0.07 4.65 -0.16 -3.56 2.96 -0.70 -3.76 118.68 118.17 1sqt s LEU 201 Ca 0.53 -1.46 -0.05 0.00 -0.22 0.00 0.00 54.13 52.93 1sqt s LEU 201 Cb -0.30 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1sqt s LEU 201 CO 0.34 -0.41 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.26 1sqt s VAL 202 N 1.31 4.21 -0.05 1.68 1.01 -0.64 -1.96 120.40 125.96 1sqt s VAL 202 Ca 0.01 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1sqt s VAL 202 Cb -0.21 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 1sqt s VAL 202 CO 0.00 0.49 -0.18 0.00 0.00 0.00 0.00 175.10 175.41 1sqt s SER 204 N 0.11 6.93 -0.22 0.00 0.15 -1.26 -0.57 113.70 118.84 1sqt s SER 204 Ca -0.06 1.05 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1sqt s SER 204 Cb -0.13 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.70 1sqt s SER 204 CO 0.03 -0.85 -0.04 -0.22 1.20 0.00 0.00 173.24 173.36 1sqt s LEU 205 N 3.58 2.21 -1.51 3.45 2.96 0.27 -4.73 118.68 124.91 1sqt s LEU 205 Ca 0.45 -1.03 -0.06 0.00 -0.22 0.00 0.00 54.13 53.26 1sqt s LEU 205 Cb -0.12 -1.06 0.01 0.00 0.50 0.00 0.00 46.19 45.52 1sqt s LEU 205 CO 0.14 -0.23 0.73 0.00 -1.32 0.00 0.00 176.35 175.67 1sqt n GLN 206 N 4.76 -5.46 0.00 1.98 6.02 -1.26 -1.96 117.38 121.46 1sqt n GLN 206 Ca -0.12 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 1sqt n GLN 206 Cb 0.45 -5.76 0.00 0.00 1.02 0.00 0.00 30.24 25.95 1sqt n GLN 206 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sqt n GLY 207 N -1.61 3.35 3.44 1.08 0.00 -1.26 -5.07 105.19 105.12 1sqt n GLY 207 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1sqt n GLY 207 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sqt s ARG 208 N -0.92 2.92 0.05 1.61 6.06 -0.83 -5.06 118.95 122.78 1sqt s ARG 208 Ca 0.00 -0.68 -0.30 0.00 -2.50 0.00 0.00 55.73 52.25 1sqt s ARG 208 Cb 0.00 -2.51 -0.09 0.00 0.06 0.00 0.00 34.95 32.41 1sqt s ARG 208 CO 0.00 0.45 1.86 -1.64 -2.50 0.00 0.00 175.30 173.47 1sqt s MET 209 N -0.26 4.15 0.01 5.12 -1.94 -1.26 -0.56 119.30 124.56 1sqt s MET 209 Ca 0.02 2.53 0.04 0.00 -1.71 0.00 0.00 55.69 56.57 1sqt s MET 209 Cb -0.13 -3.94 -0.02 0.00 2.01 0.00 0.00 34.83 32.75 1sqt s MET 209 CO 0.03 -0.89 -0.13 0.99 -0.01 0.00 0.00 175.02 175.01 1sqt s THR 210 N 3.80 1.02 -1.04 2.05 2.01 0.26 -4.08 115.64 119.67 1sqt s THR 210 Ca 0.83 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 61.86 1sqt s THR 210 Cb -0.42 -0.89 0.06 0.00 0.01 0.00 0.00 72.50 71.26 1sqt s THR 210 CO 0.38 0.13 1.44 -0.22 -0.69 0.00 0.00 174.62 175.66 1sqt s LEU 211 N -0.71 3.72 0.05 4.42 2.96 -0.17 -1.47 118.68 127.48 1sqt s LEU 211 Ca 0.03 -1.62 0.05 0.00 -0.22 0.00 0.00 54.13 52.36 1sqt s LEU 211 Cb -0.06 -2.55 -0.24 0.00 0.50 0.00 0.00 46.19 43.84 1sqt s LEU 211 CO 0.00 -1.42 1.02 0.74 -1.32 0.00 0.00 176.35 175.38 1sqt h THR 212 N 6.56 1.36 -4.13 3.68 2.02 -1.72 -3.37 112.91 117.30 1sqt h THR 212 Ca 0.22 -3.08 -0.14 0.00 0.77 0.00 0.00 66.41 64.18 1sqt h THR 212 Cb 1.00 2.74 -0.14 0.00 -1.74 0.00 0.00 68.15 70.01 1sqt h THR 212 CO 1.40 0.82 -0.47 -0.83 0.37 0.00 0.00 175.52 176.81 1sqt s GLY 213 N -4.86 0.72 -0.07 2.16 0.00 -0.96 -2.43 107.32 101.88 1sqt s GLY 213 Ca -0.03 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1sqt s GLY 213 CO 0.83 -1.08 -0.09 -0.42 0.00 0.00 0.00 173.10 172.34 1sqt s ILE 214 N -4.01 0.97 -0.02 0.90 1.01 -1.01 -1.72 121.20 117.32 1sqt s ILE 214 Ca 0.21 -0.35 -0.32 0.00 0.00 0.00 0.00 60.65 60.18 1sqt s ILE 214 Cb 0.05 -0.92 -0.10 0.00 0.01 0.00 0.00 42.46 41.49 1sqt s ILE 214 CO 0.01 0.33 1.93 0.52 0.00 0.00 0.00 174.94 177.73 1sqt n VAL 215 N 4.10 0.67 0.05 2.92 0.31 -0.38 -1.17 118.33 124.84 1sqt n VAL 215 Ca -0.21 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1sqt n VAL 215 Cb 0.51 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1sqt n VAL 215 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1sqt n SER 216 N 7.06 0.92 -3.60 4.52 2.88 -0.89 -0.69 113.62 123.82 1sqt n SER 216 Ca 0.21 0.16 -0.12 0.00 -1.33 0.00 0.00 58.87 57.79 1sqt n SER 216 Cb 0.35 -0.25 -0.05 0.00 -0.75 0.00 0.00 64.21 63.52 1sqt n SER 216 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1sqt s TRP 217 N -1.92 -0.30 0.08 0.66 1.48 -0.92 -4.95 118.94 113.08 1sqt s TRP 217 Ca 0.00 0.10 -0.26 0.00 -1.06 0.00 0.00 56.10 54.88 1sqt s TRP 217 Cb 0.00 0.31 0.08 0.00 -1.16 0.00 0.00 33.47 32.70 1sqt s TRP 217 CO 0.00 -0.69 0.83 0.20 -4.06 0.00 0.00 176.95 173.23 1sqt s GLY 218 N -2.53 -0.42 -0.33 3.67 0.00 -1.26 -0.36 107.32 106.08 1sqt s GLY 218 Ca -0.00 0.63 -0.16 0.00 0.00 0.00 0.00 44.72 45.19 1sqt s GLY 218 CO -0.09 0.20 0.42 -1.60 0.00 0.00 0.00 173.10 172.03 1sqt s ARG 219 N -3.33 3.66 1.50 2.90 6.06 -1.26 -4.93 118.95 123.54 1sqt s ARG 219 Ca 0.06 -0.24 0.00 0.00 -2.50 0.00 0.00 55.73 53.05 1sqt s ARG 219 Cb -0.01 -3.78 0.00 0.00 0.06 0.00 0.00 34.95 31.21 1sqt s ARG 219 CO -0.06 -0.53 0.00 0.41 -2.50 0.00 0.00 175.30 172.61 1sqt n GLY 220 N 4.85 -1.42 2.92 8.12 0.00 -1.26 -4.63 105.19 113.76 1sqt n GLY 220 Ca -0.07 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 1sqt n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqt n ALA 222 N 4.87 -1.17 -2.86 0.00 0.00 -1.26 -4.87 120.51 115.21 1sqt n ALA 222 Ca -0.13 0.24 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 1sqt n ALA 222 Cb 0.50 -3.97 -0.06 0.00 0.00 0.00 0.00 19.45 15.92 1sqt n ALA 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sqt s LEU 223 N -5.91 4.27 0.11 0.00 1.43 -1.26 -4.66 118.68 112.65 1sqt s LEU 223 Ca 0.37 0.36 -0.36 0.00 -1.03 0.00 0.00 54.13 53.46 1sqt s LEU 223 Cb -0.16 -2.30 -0.16 0.00 0.03 0.00 0.00 46.19 43.59 1sqt s LEU 223 CO 0.58 0.33 1.34 1.17 0.23 0.00 0.00 176.35 180.00 1sqt n LYS 224 N 1.46 1.26 -1.56 1.70 4.81 -1.26 -2.66 118.16 121.91 1sqt n LYS 224 Ca -0.15 0.45 -0.19 0.00 -0.87 0.00 0.00 58.31 57.55 1sqt n LYS 224 Cb 0.54 -2.09 -0.08 0.00 0.02 0.00 0.00 35.03 33.41 1sqt n LYS 224 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1sqt n ASP 225 N 2.53 -5.48 -3.68 3.14 8.00 -1.26 -4.94 116.55 114.86 1sqt n ASP 225 Ca 0.18 0.48 -0.28 0.00 0.71 0.00 0.00 54.79 55.88 1sqt n ASP 225 Cb 0.21 -4.68 -0.11 0.00 -0.02 0.00 0.00 41.12 36.52 1sqt n ASP 225 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1sqt s LYS 226 N -3.63 1.78 1.01 -1.24 -0.14 -1.09 -3.97 119.74 112.45 1sqt s LYS 226 Ca 0.00 -2.79 -0.11 0.00 -1.36 0.00 0.00 55.97 51.70 1sqt s LYS 226 Cb 0.00 -2.55 0.18 0.00 -1.68 0.00 0.00 37.83 33.78 1sqt s LYS 226 CO 0.00 -1.33 1.00 -2.30 -0.76 0.00 0.00 175.35 171.96 1sqt n PRO 227 N 2.38 -1.08 -2.32 -1.68 -0.02 -1.26 -4.43 135.00 126.59 1sqt n PRO 227 Ca 0.24 -0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 61.05 1sqt n PRO 227 Cb 0.40 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1sqt n PRO 227 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1sqt s GLY 228 N -2.48 3.03 -0.08 -1.23 0.00 -0.56 -4.46 107.32 101.53 1sqt s GLY 228 Ca 0.66 1.05 0.01 0.00 0.00 0.00 0.00 44.72 46.44 1sqt s GLY 228 CO 0.61 1.66 -0.11 0.14 0.00 0.00 0.00 173.10 175.41 1sqt s VAL 229 N -1.17 3.34 -0.02 1.40 1.01 0.52 -1.82 120.40 123.66 1sqt s VAL 229 Ca 0.47 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.91 1sqt s VAL 229 Cb -0.35 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1sqt s VAL 229 CO 0.46 0.57 -0.20 -0.31 0.00 0.00 0.00 175.10 175.62 1sqt s TYR 230 N -0.47 1.77 0.10 5.22 2.02 0.29 -2.08 117.35 124.20 1sqt s TYR 230 Ca 0.06 -0.34 -0.31 0.00 -0.37 0.00 0.00 57.07 56.11 1sqt s TYR 230 Cb -0.12 -1.14 -0.09 0.00 -0.40 0.00 0.00 41.96 40.21 1sqt s TYR 230 CO 0.02 -0.04 1.68 0.99 -1.57 0.00 0.00 175.55 176.63 1sqt s THR 231 N -0.44 2.82 -0.60 -0.71 2.01 -0.32 -0.41 115.64 117.99 1sqt s THR 231 Ca 0.07 0.37 -0.24 0.00 0.31 0.00 0.00 61.69 62.20 1sqt s THR 231 Cb -0.08 -3.24 0.05 0.00 0.01 0.00 0.00 72.50 69.24 1sqt s THR 231 CO -0.01 0.01 1.00 -0.60 -0.69 0.00 0.00 174.62 174.33 1sqt s ARG 232 N 2.34 3.26 0.37 4.92 3.52 -1.09 -2.39 118.95 129.88 1sqt s ARG 232 Ca 0.75 -0.40 0.07 0.00 -0.13 0.00 0.00 55.73 56.01 1sqt s ARG 232 Cb -0.42 -4.11 0.76 0.00 -1.56 0.00 0.00 34.95 29.62 1sqt s ARG 232 CO 0.33 -1.66 1.96 0.28 -0.81 0.00 0.00 175.30 175.40 1sqt h VAL 233 N 6.01 1.01 0.00 7.11 2.07 -1.76 -2.90 116.25 127.79 1sqt h VAL 233 Ca -0.27 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1sqt h VAL 233 Cb 1.07 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1sqt h VAL 233 CO 1.14 0.13 -0.12 0.77 0.02 0.00 0.00 177.57 179.51 1sqt h SER 234 N 0.73 0.00 0.43 0.57 4.64 -1.88 0.20 113.55 118.24 1sqt h SER 234 Ca 0.31 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.55 1sqt h SER 234 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1sqt h SER 234 CO -0.11 0.12 -0.41 -0.74 -0.87 0.00 0.00 176.83 174.82 1sqt h HIS 235 N 0.00 0.00 -0.50 4.77 6.17 -1.90 -3.25 115.15 120.44 1sqt h HIS 235 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1sqt h HIS 235 Cb 0.41 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.34 1sqt h HIS 235 CO 0.00 0.41 0.00 1.19 0.71 0.00 0.00 177.93 180.24 1sqt n PHE 236 N -4.01 0.66 -0.21 5.26 3.01 0.69 -4.47 117.46 118.39 1sqt n PHE 236 Ca -0.02 -0.33 -0.00 0.00 1.01 0.00 0.00 57.45 58.11 1sqt n PHE 236 Cb 0.45 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.03 1sqt n PHE 236 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1sqt h LEU 237 N 4.00 0.29 -0.86 4.37 3.38 -1.57 0.62 115.31 125.55 1sqt h LEU 237 Ca 0.00 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1sqt h LEU 237 Cb 0.90 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 1sqt h LEU 237 CO 0.00 0.17 0.55 -0.65 0.09 0.00 0.00 178.44 178.60 1sqt h PRO 238 N 0.46 1.01 -0.22 1.13 0.11 -1.88 -1.23 132.00 131.39 1sqt h PRO 238 Ca 0.31 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.34 1sqt h PRO 238 Cb 0.36 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1sqt h PRO 238 CO -0.29 0.67 0.08 2.35 -0.21 0.00 0.00 178.00 180.60 1sqt h TRP 239 N 1.04 0.35 -0.48 0.65 7.01 -1.65 -2.44 115.95 120.42 1sqt h TRP 239 Ca 0.35 -0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.33 1sqt h TRP 239 Cb 0.05 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 26.99 1sqt h TRP 239 CO -0.02 0.40 0.31 0.82 -2.79 0.00 0.00 178.44 177.16 1sqt h ILE 240 N 0.19 1.11 0.04 2.65 2.04 -0.53 -1.88 117.51 121.13 1sqt h ILE 240 Ca 0.07 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1sqt h ILE 240 Cb 0.21 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1sqt h ILE 240 CO -0.00 0.12 -0.05 -0.09 0.00 0.00 0.00 178.15 178.12 1sqt h ARG 241 N 0.64 -0.11 0.00 2.37 2.43 -1.26 -2.41 114.38 116.04 1sqt h ARG 241 Ca 0.18 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1sqt h ARG 241 Cb -0.06 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1sqt h ARG 241 CO -0.05 -0.07 -0.28 0.66 -1.51 0.00 0.00 179.97 178.72 1sqt h SER 242 N -0.11 0.00 0.06 -3.80 4.64 -1.29 -3.12 113.55 109.92 1sqt h SER 242 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1sqt h SER 242 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1sqt h SER 242 CO -0.03 0.28 -0.16 1.41 -0.87 0.00 0.00 176.83 177.47 1sqt n HIS 243 N -3.36 0.00 0.44 4.77 8.25 -0.72 -5.11 115.22 119.49 1sqt n HIS 243 Ca 0.01 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.52 1sqt n HIS 243 Cb 0.50 -0.04 0.04 0.00 1.12 0.00 0.00 29.99 31.62 1sqt n HIS 243 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23