#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsd n LEU 55 N 0.00 2.66 -4.65 0.99 4.77 -1.26 -5.01 117.00 114.50 1vsd n LEU 55 Ca 0.00 -1.47 -0.31 0.00 -0.03 0.00 0.00 56.01 54.20 1vsd n LEU 55 Cb 0.00 -0.14 0.17 0.00 -2.33 0.00 0.00 43.42 41.12 1vsd n LEU 55 CO 0.00 0.59 0.64 0.61 -1.33 0.00 0.00 177.39 177.90 1vsd n GLY 56 N 0.80 -0.52 3.68 -0.72 0.00 -1.26 -4.96 105.19 102.22 1vsd n GLY 56 Ca 0.11 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 1vsd n GLY 56 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vsd n PRO 57 N -4.22 0.97 -2.48 1.61 -0.04 -1.26 -4.95 135.00 124.63 1vsd n PRO 57 Ca 0.11 0.38 -0.36 0.00 -0.04 0.00 0.00 63.50 63.60 1vsd n PRO 57 Cb 0.52 -2.38 -0.03 0.00 -0.04 0.00 0.00 33.50 31.57 1vsd n PRO 57 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vsd s LEU 58 N -3.45 3.99 -1.19 1.53 1.43 -1.26 -4.95 118.68 114.78 1vsd s LEU 58 Ca 0.80 2.05 -0.18 0.00 -1.03 0.00 0.00 54.13 55.77 1vsd s LEU 58 Cb -0.39 -4.36 0.10 0.00 0.03 0.00 0.00 46.19 41.58 1vsd s LEU 58 CO 0.43 -0.71 1.54 -1.10 0.23 0.00 0.00 176.35 176.73 1vsd s GLN 59 N -2.85 3.91 -0.07 1.70 -0.21 -1.26 -4.37 119.66 116.52 1vsd s GLN 59 Ca 0.63 -1.99 0.05 0.00 0.02 0.00 0.00 55.36 54.06 1vsd s GLN 59 Cb -0.21 -5.30 -0.00 0.00 1.00 0.00 0.00 33.01 28.49 1vsd s GLN 59 CO 0.26 -2.06 -0.22 0.42 -2.12 0.00 0.00 175.29 171.57 1vsd s ILE 60 N 3.42 1.85 0.30 1.08 1.01 -1.26 -0.79 121.20 126.80 1vsd s ILE 60 Ca 0.47 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 60.26 1vsd s ILE 60 Cb 0.00 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1vsd s ILE 60 CO 0.01 0.52 0.23 0.26 0.00 0.00 0.00 174.94 175.95 1vsd s TRP 61 N 0.12 2.97 -0.05 3.97 0.51 -0.42 -1.76 118.94 124.28 1vsd s TRP 61 Ca -0.10 -0.22 0.06 0.00 -2.12 0.00 0.00 56.10 53.72 1vsd s TRP 61 Cb -0.15 -1.58 -0.01 0.00 -0.81 0.00 0.00 33.47 30.92 1vsd s TRP 61 CO 0.05 0.36 -0.23 -0.65 -0.51 0.00 0.00 176.95 175.98 1vsd s GLN 62 N -3.90 2.30 0.03 4.98 -0.21 -0.43 -0.82 119.66 121.60 1vsd s GLN 62 Ca 0.37 -0.82 0.03 0.00 0.02 0.00 0.00 55.36 54.96 1vsd s GLN 62 Cb -0.07 -1.98 -0.02 0.00 1.00 0.00 0.00 33.01 31.95 1vsd s GLN 62 CO 0.25 0.35 -0.10 0.99 -2.12 0.00 0.00 175.29 174.66 1vsd s THR 63 N -0.14 0.80 0.18 -0.19 2.01 -0.69 -1.13 115.64 116.48 1vsd s THR 63 Ca -0.03 -0.82 -0.16 0.00 0.31 0.00 0.00 61.69 60.99 1vsd s THR 63 Cb -0.13 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.66 1vsd s THR 63 CO 0.03 -0.06 0.48 -0.62 -0.69 0.00 0.00 174.62 173.76 1vsd s ASP 64 N -0.98 -0.22 -0.01 3.53 2.15 -0.15 -4.48 116.67 116.49 1vsd s ASP 64 Ca -0.01 -0.50 0.02 0.00 0.43 0.00 0.00 52.55 52.49 1vsd s ASP 64 Cb -0.07 0.55 -0.03 0.00 -0.30 0.00 0.00 42.92 43.06 1vsd s ASP 64 CO 0.01 -1.01 -0.04 -0.36 -0.17 0.00 0.00 175.17 173.60 1vsd s PHE 65 N -3.87 2.96 -0.00 -5.34 0.40 -1.26 -0.83 117.98 110.04 1vsd s PHE 65 Ca 0.09 0.02 -0.00 0.00 -0.60 0.00 0.00 56.93 56.43 1vsd s PHE 65 Cb -0.00 -1.65 -0.00 0.00 0.51 0.00 0.00 43.02 41.88 1vsd s PHE 65 CO -0.04 0.40 0.01 -0.08 0.70 0.00 0.00 175.22 176.21 1vsd s THR 66 N -0.99 0.01 -0.11 0.64 -1.32 0.24 -4.98 115.64 109.13 1vsd s THR 66 Ca 0.17 -0.07 -0.16 0.00 -1.21 0.00 0.00 61.69 60.42 1vsd s THR 66 Cb -0.11 -0.05 -0.05 0.00 -1.51 0.00 0.00 72.50 70.78 1vsd s THR 66 CO 0.07 -0.04 0.39 -0.22 -2.21 0.00 0.00 174.62 172.61 1vsd s LEU 67 N -0.11 4.30 -0.36 9.08 2.96 -1.26 -0.42 118.68 132.87 1vsd s LEU 67 Ca -0.01 0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 54.61 1vsd s LEU 67 Cb -0.01 -2.54 0.13 0.00 0.50 0.00 0.00 46.19 44.27 1vsd s LEU 67 CO -0.00 0.11 0.19 -0.70 -1.32 0.00 0.00 176.35 174.63 1vsd s GLU 68 N 0.21 0.74 0.66 1.98 2.56 0.36 -4.97 118.70 120.24 1vsd s GLU 68 Ca 0.22 -1.38 0.41 0.00 0.00 0.00 0.00 54.97 54.21 1vsd s GLU 68 Cb -0.15 -1.68 2.22 0.00 2.00 0.00 0.00 34.13 36.52 1vsd s GLU 68 CO 0.08 -1.14 2.26 -1.35 -0.56 0.00 0.00 175.26 174.56 1vsd h PRO 69 N 7.27 0.00 0.00 4.30 0.11 -1.97 -0.86 132.00 140.86 1vsd h PRO 69 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1vsd h PRO 69 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1vsd h PRO 69 CO 0.38 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.17 1vsd h ARG 70 N 0.00 0.00 -0.66 1.05 3.08 -1.94 -2.09 114.38 113.82 1vsd h ARG 70 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vsd h ARG 70 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1vsd h ARG 70 CO -0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.57 1vsd n MET 71 N -3.04 3.47 -1.96 0.04 2.81 -0.33 -0.92 117.12 117.20 1vsd n MET 71 Ca -0.02 -2.82 -0.36 0.00 -1.81 0.00 0.00 57.70 52.69 1vsd n MET 71 Cb 0.16 -1.80 0.04 0.00 -0.71 0.00 0.00 33.22 30.91 1vsd n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vsd s ALA 72 N -1.63 2.51 -0.71 3.04 0.00 -0.79 -1.97 121.76 122.21 1vsd s ALA 72 Ca 0.50 1.03 0.25 0.00 0.00 0.00 0.00 51.96 53.74 1vsd s ALA 72 Cb 0.31 -3.47 0.91 0.00 0.00 0.00 0.00 23.12 20.87 1vsd s ALA 72 CO 0.27 -1.25 1.75 -0.35 0.00 0.00 0.00 175.76 176.18 1vsd n PRO 73 N -1.68 0.19 -2.83 0.00 -0.04 -1.26 -4.80 135.00 124.58 1vsd n PRO 73 Ca 0.14 0.26 -0.43 0.00 -0.04 0.00 0.00 63.50 63.43 1vsd n PRO 73 Cb 0.49 -1.76 0.01 0.00 -0.04 0.00 0.00 33.50 32.20 1vsd n PRO 73 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1vsd n ARG 74 N -2.09 4.31 0.00 0.54 1.74 -0.83 -4.64 116.66 115.68 1vsd n ARG 74 Ca 0.04 -4.31 0.14 0.00 -0.77 0.00 0.00 57.85 52.95 1vsd n ARG 74 Cb 0.33 -2.61 0.49 0.00 -1.02 0.00 0.00 32.46 29.65 1vsd n ARG 74 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1vsd n SER 75 N 1.88 0.88 -4.60 0.55 3.41 -1.17 -4.14 113.62 110.42 1vsd n SER 75 Ca 0.30 -0.86 -0.41 0.00 -0.26 0.00 0.00 58.87 57.63 1vsd n SER 75 Cb 0.34 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 1vsd n SER 75 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1vsd s TRP 76 N -2.42 3.19 -0.19 7.33 0.52 -0.74 -0.49 118.94 126.14 1vsd s TRP 76 Ca 0.28 0.61 -0.09 0.00 0.02 0.00 0.00 56.10 56.92 1vsd s TRP 76 Cb 0.20 -3.10 -0.04 0.00 -1.15 0.00 0.00 33.47 29.37 1vsd s TRP 76 CO 0.48 -0.54 0.09 -0.51 0.02 0.00 0.00 176.95 176.49 1vsd s LEU 77 N 2.75 3.99 -0.20 2.99 1.43 0.44 -0.40 118.68 129.68 1vsd s LEU 77 Ca 0.27 0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.39 1vsd s LEU 77 Cb -0.14 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1vsd s LEU 77 CO 0.13 0.18 0.26 0.00 0.23 0.00 0.00 176.35 177.15 1vsd s ALA 78 N 0.37 3.60 -0.07 4.21 0.00 -0.46 -0.59 121.76 128.82 1vsd s ALA 78 Ca 0.05 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1vsd s ALA 78 Cb -0.12 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.59 1vsd s ALA 78 CO -0.01 -0.12 -0.14 0.08 0.00 0.00 0.00 175.76 175.57 1vsd s VAL 79 N 0.92 1.25 -0.08 0.00 1.01 -0.01 -2.12 120.40 121.37 1vsd s VAL 79 Ca 0.13 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1vsd s VAL 79 Cb -0.13 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 1vsd s VAL 79 CO 0.05 0.38 -0.22 -0.89 0.00 0.00 0.00 175.10 174.41 1vsd s THR 80 N 0.60 1.90 -0.16 3.92 2.01 -0.36 -0.98 115.64 122.55 1vsd s THR 80 Ca -0.15 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 60.88 1vsd s THR 80 Cb -0.16 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1vsd s THR 80 CO 0.04 0.53 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.74 1vsd s VAL 81 N 0.18 3.52 -0.42 3.82 1.01 -0.29 -0.86 120.40 127.36 1vsd s VAL 81 Ca -0.12 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 1vsd s VAL 81 Cb -0.16 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1vsd s VAL 81 CO 0.06 0.49 0.81 -0.62 0.00 0.00 0.00 175.10 175.84 1vsd s ASP 82 N 0.57 6.48 0.59 3.32 2.15 0.26 -1.32 116.67 128.72 1vsd s ASP 82 Ca -0.05 0.12 0.36 0.00 0.43 0.00 0.00 52.55 53.41 1vsd s ASP 82 Cb -0.15 -2.40 1.76 0.00 -0.30 0.00 0.00 42.92 41.83 1vsd s ASP 82 CO 0.03 -0.87 2.14 0.71 -0.17 0.00 0.00 175.17 177.01 1vsd h THR 83 N 5.91 0.13 -0.02 1.71 1.35 -1.66 0.67 112.91 121.00 1vsd h THR 83 Ca -0.25 -0.35 -0.25 0.00 -0.55 0.00 0.00 66.41 65.02 1vsd h THR 83 Cb 1.09 1.30 0.01 0.00 -1.73 0.00 0.00 68.15 68.82 1vsd h THR 83 CO 0.95 0.03 -0.98 0.00 -0.25 0.00 0.00 175.52 175.27 1vsd h ALA 84 N 1.97 0.23 0.00 6.62 0.00 -1.76 -3.36 119.26 122.95 1vsd h ALA 84 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1vsd h ALA 84 Cb 0.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1vsd h ALA 84 CO 0.00 0.72 -0.57 -1.13 0.00 0.00 0.00 179.25 178.28 1vsd n SER 85 N -3.83 0.60 0.00 0.00 3.41 -1.10 -4.95 113.62 107.75 1vsd n SER 85 Ca -0.09 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1vsd n SER 85 Cb 0.85 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.82 1vsd n SER 85 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1vsd n SER 86 N -1.29 -3.59 -4.76 4.04 7.64 0.23 -5.01 113.62 110.88 1vsd n SER 86 Ca 0.02 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 1vsd n SER 86 Cb 0.18 -1.76 0.01 0.00 -1.01 0.00 0.00 64.21 61.63 1vsd n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vsd s ALA 87 N -1.73 2.89 -0.03 -0.43 0.00 -1.22 -4.71 121.76 116.54 1vsd s ALA 87 Ca 0.00 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.10 1vsd s ALA 87 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1vsd s ALA 87 CO 0.00 -0.92 -0.26 0.42 0.00 0.00 0.00 175.76 175.00 1vsd s ILE 88 N -1.47 2.07 -0.07 0.00 1.01 -1.26 -0.57 121.20 120.90 1vsd s ILE 88 Ca 0.67 -1.10 0.04 0.00 0.00 0.00 0.00 60.65 60.26 1vsd s ILE 88 Cb -0.32 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1vsd s ILE 88 CO 0.39 0.58 -0.19 -0.69 0.00 0.00 0.00 174.94 175.02 1vsd s VAL 89 N -0.55 1.66 0.02 2.92 1.01 -0.04 -4.95 120.40 120.47 1vsd s VAL 89 Ca 0.08 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1vsd s VAL 89 Cb -0.11 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1vsd s VAL 89 CO -0.00 0.47 -0.12 -0.69 0.00 0.00 0.00 175.10 174.75 1vsd s VAL 90 N 0.24 0.97 0.09 2.92 1.01 -1.26 -1.23 120.40 123.14 1vsd s VAL 90 Ca -0.11 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1vsd s VAL 90 Cb -0.15 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1vsd s VAL 90 CO 0.05 0.08 -0.06 0.42 0.00 0.00 0.00 175.10 175.58 1vsd s THR 91 N -0.64 0.64 0.02 3.92 -4.23 -0.90 -4.99 115.64 109.46 1vsd s THR 91 Ca 0.02 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 1vsd s THR 91 Cb -0.06 -1.56 -0.03 0.00 1.34 0.00 0.00 72.50 72.18 1vsd s THR 91 CO 0.00 -0.83 -0.05 -1.10 -0.54 0.00 0.00 174.62 172.10 1vsd s GLN 92 N -3.61 2.57 0.01 3.99 -0.21 -1.26 -1.35 119.66 119.80 1vsd s GLN 92 Ca 0.09 -0.73 -0.07 0.00 0.02 0.00 0.00 55.36 54.68 1vsd s GLN 92 Cb 0.04 -2.53 -0.00 0.00 1.00 0.00 0.00 33.01 31.52 1vsd s GLN 92 CO -0.05 0.60 0.13 -1.01 -2.12 0.00 0.00 175.29 172.84 1vsd s HIS 93 N -1.05 0.06 0.08 0.91 3.76 0.46 -4.98 115.29 114.53 1vsd s HIS 93 Ca 0.18 -0.18 0.08 0.00 -0.15 0.00 0.00 55.06 55.00 1vsd s HIS 93 Cb -0.11 -0.06 -0.15 0.00 1.11 0.00 0.00 32.58 33.37 1vsd s HIS 93 CO 0.09 -0.29 1.32 0.78 -0.85 0.00 0.00 174.74 175.79 1vsd h GLY 94 N 4.23 0.00 -4.34 -2.22 0.00 -1.84 -1.95 103.07 96.94 1vsd h GLY 94 Ca -0.31 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 1vsd h GLY 94 CO 0.41 0.00 -0.52 0.50 0.00 0.00 0.00 176.54 176.94 1vsd s ARG 95 N -2.77 0.54 -0.59 4.80 1.81 -1.26 -4.73 118.95 116.74 1vsd s ARG 95 Ca 0.01 -0.61 -0.21 0.00 -1.72 0.00 0.00 55.73 53.21 1vsd s ARG 95 Cb 0.10 0.22 0.08 0.00 -0.45 0.00 0.00 34.95 34.89 1vsd s ARG 95 CO 0.81 -0.13 0.80 0.14 -0.68 0.00 0.00 175.30 176.23 1vsd s VAL 96 N -2.10 4.62 0.31 3.52 -7.23 -1.26 -4.76 120.40 113.51 1vsd s VAL 96 Ca -0.09 -0.55 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 1vsd s VAL 96 Cb -0.04 -4.52 -0.05 0.00 0.56 0.00 0.00 36.38 32.33 1vsd s VAL 96 CO -0.02 -1.16 0.10 0.42 -0.31 0.00 0.00 175.10 174.12 1vsd s THR 97 N 3.25 0.75 0.23 5.32 -4.23 -1.26 -5.01 115.64 114.69 1vsd s THR 97 Ca 0.18 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.62 1vsd s THR 97 Cb -0.20 -2.63 0.21 0.00 1.34 0.00 0.00 72.50 71.22 1vsd s THR 97 CO 0.10 0.00 1.87 0.28 -0.54 0.00 0.00 174.62 176.33 1vsd h SER 98 N 2.18 1.11 -0.23 3.99 0.02 -1.95 -2.41 113.55 116.27 1vsd h SER 98 Ca -0.38 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.43 1vsd h SER 98 Cb 1.25 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 1vsd h SER 98 CO 0.62 0.87 -0.03 0.58 -1.14 0.00 0.00 176.83 177.74 1vsd h VAL 99 N 1.26 1.21 -0.80 2.27 2.07 -1.97 -1.89 116.25 118.40 1vsd h VAL 99 Ca 0.32 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1vsd h VAL 99 Cb -0.01 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1vsd h VAL 99 CO -0.06 0.30 0.40 0.00 0.02 0.00 0.00 177.57 178.23 1vsd h ALA 100 N 1.45 1.02 -0.68 1.67 0.00 -1.73 -0.85 119.26 120.15 1vsd h ALA 100 Ca 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1vsd h ALA 100 Cb 0.38 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1vsd h ALA 100 CO 0.02 0.57 0.25 0.00 0.00 0.00 0.00 179.25 180.09 1vsd h ALA 101 N 1.21 0.88 -0.41 0.00 0.00 -1.29 -0.88 119.26 118.76 1vsd h ALA 101 Ca 0.27 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1vsd h ALA 101 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1vsd h ALA 101 CO -0.04 0.52 -0.24 1.96 0.00 0.00 0.00 179.25 181.45 1vsd h GLN 102 N 0.97 0.85 -0.68 0.00 4.20 -0.95 -0.52 115.11 118.98 1vsd h GLN 102 Ca 0.22 -0.36 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1vsd h GLN 102 Cb 0.24 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1vsd h GLN 102 CO -0.01 1.00 0.26 0.45 -0.67 0.00 0.00 178.83 179.86 1vsd h HIS 103 N 0.73 1.04 0.12 2.96 3.86 -0.98 0.14 115.15 123.02 1vsd h HIS 103 Ca 0.09 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1vsd h HIS 103 Cb 0.78 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.94 1vsd h HIS 103 CO 0.04 0.82 -0.08 1.25 0.86 0.00 0.00 177.93 180.82 1vsd h HIS 104 N 0.97 -0.21 0.00 2.45 -0.00 -0.92 -2.52 115.15 114.91 1vsd h HIS 104 Ca 0.23 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.50 1vsd h HIS 104 Cb 0.22 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 1vsd h HIS 104 CO 0.02 -0.13 -0.44 -1.49 -0.00 0.00 0.00 177.93 175.88 1vsd h TRP 105 N -0.21 0.00 -0.50 5.26 6.55 -0.81 0.19 115.95 126.43 1vsd h TRP 105 Ca -0.01 0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.85 1vsd h TRP 105 Cb 0.18 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.45 1vsd h TRP 105 CO -0.09 0.44 0.31 0.00 -1.05 0.00 0.00 178.44 178.05 1vsd h ALA 106 N 1.56 0.64 -0.32 1.49 0.00 -0.52 0.41 119.26 122.51 1vsd h ALA 106 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1vsd h ALA 106 Cb 0.81 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1vsd h ALA 106 CO 0.06 0.02 0.18 1.15 0.00 0.00 0.00 179.25 180.66 1vsd h THR 107 N 0.61 1.13 -0.89 0.00 2.02 -0.98 -2.12 112.91 112.69 1vsd h THR 107 Ca 0.20 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1vsd h THR 107 Cb 0.00 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1vsd h THR 107 CO -0.08 0.13 0.48 0.00 0.37 0.00 0.00 175.52 176.42 1vsd h ALA 108 N 1.05 1.14 -0.76 6.16 0.00 -0.48 -2.06 119.26 124.31 1vsd h ALA 108 Ca 0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1vsd h ALA 108 Cb 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1vsd h ALA 108 CO -0.02 0.65 0.26 0.82 0.00 0.00 0.00 179.25 180.96 1vsd h ILE 109 N 1.24 1.26 -0.59 0.00 2.04 -0.81 0.30 117.51 120.95 1vsd h ILE 109 Ca 0.31 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1vsd h ILE 109 Cb 0.04 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 1vsd h ILE 109 CO -0.05 0.35 0.24 0.00 0.00 0.00 0.00 178.15 178.69 1vsd h ALA 110 N 1.16 1.32 0.19 1.87 0.00 -0.90 0.48 119.26 123.38 1vsd h ALA 110 Ca 0.25 -0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.67 1vsd h ALA 110 Cb 0.27 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1vsd h ALA 110 CO -0.01 0.51 -1.67 0.28 0.00 0.00 0.00 179.25 178.36 1vsd h VAL 111 N 0.84 1.00 0.00 0.00 2.07 -0.91 -3.41 116.25 115.84 1vsd h VAL 111 Ca 0.20 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1vsd h VAL 111 Cb 0.16 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1vsd h VAL 111 CO -0.02 0.84 -0.89 0.18 0.02 0.00 0.00 177.57 177.70 1vsd n LEU 112 N -3.66 0.58 0.00 2.57 4.77 0.10 -5.11 117.00 116.25 1vsd n LEU 112 Ca -0.24 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1vsd n LEU 112 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 1vsd n LEU 112 CO 0.51 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1vsd n GLY 113 N 1.40 0.77 3.68 -0.72 0.00 0.15 -4.92 105.19 105.56 1vsd n GLY 113 Ca 0.02 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 1vsd n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vsd s ARG 114 N -1.57 4.29 0.82 1.61 3.52 -1.26 -4.40 118.95 121.96 1vsd s ARG 114 Ca 0.00 0.71 -0.11 0.00 -0.13 0.00 0.00 55.73 56.19 1vsd s ARG 114 Cb 0.00 -3.53 0.11 0.00 -1.56 0.00 0.00 34.95 29.97 1vsd s ARG 114 CO 0.00 -0.14 1.17 -1.25 -0.81 0.00 0.00 175.30 174.27 1vsd s PRO 115 N 1.55 1.64 -0.03 5.12 0.04 -1.26 -5.00 135.00 137.07 1vsd s PRO 115 Ca 0.32 -0.18 0.04 0.00 0.04 0.00 0.00 61.00 61.21 1vsd s PRO 115 Cb -0.16 -1.99 -0.25 0.00 0.04 0.00 0.00 34.50 32.14 1vsd s PRO 115 CO 0.12 -1.73 0.72 0.87 0.04 0.00 0.00 177.00 177.02 1vsd h LYS 116 N -1.08 0.13 -3.53 4.56 1.79 -1.34 -3.45 116.57 113.63 1vsd h LYS 116 Ca -0.45 -0.22 -0.09 0.00 -2.18 0.00 0.00 60.65 57.72 1vsd h LYS 116 Cb 1.30 0.08 -0.16 0.00 -1.58 0.00 0.00 32.23 31.87 1vsd h LYS 116 CO 0.56 0.87 -0.31 0.00 -1.08 0.00 0.00 179.45 179.48 1vsd s ALA 117 N -2.61 -0.48 -0.06 3.86 0.00 -1.13 -1.94 121.76 119.40 1vsd s ALA 117 Ca -0.09 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1vsd s ALA 117 Cb 0.08 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.60 1vsd s ALA 117 CO 0.82 -0.45 -0.11 0.42 0.00 0.00 0.00 175.76 176.44 1vsd s ILE 118 N -3.07 1.07 -0.17 0.00 1.01 -0.21 -1.30 121.20 118.53 1vsd s ILE 118 Ca -0.01 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 1vsd s ILE 118 Cb 0.01 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1vsd s ILE 118 CO -0.07 0.34 0.08 -0.75 0.00 0.00 0.00 174.94 174.54 1vsd s LYS 119 N 0.67 3.85 0.30 2.79 2.20 0.00 -1.64 119.74 127.92 1vsd s LYS 119 Ca -0.14 -0.30 0.04 0.00 -0.36 0.00 0.00 55.97 55.21 1vsd s LYS 119 Cb -0.16 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 1vsd s LYS 119 CO 0.03 0.38 0.21 0.95 -0.36 0.00 0.00 175.35 176.57 1vsd s THR 120 N 0.07 0.09 0.23 3.43 -4.23 -0.62 -1.70 115.64 112.92 1vsd s THR 120 Ca 0.06 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.55 1vsd s THR 120 Cb -0.12 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.28 1vsd s THR 120 CO 0.00 0.00 0.32 -0.90 -0.54 0.00 0.00 174.62 173.50 1vsd n ASP 121 N -1.13 0.24 -1.10 3.99 5.68 -1.26 -4.17 116.55 118.80 1vsd n ASP 121 Ca 0.04 -1.25 0.03 0.00 -0.50 0.00 0.00 54.79 53.12 1vsd n ASP 121 Cb 0.64 -0.22 0.18 0.00 -1.14 0.00 0.00 41.12 40.58 1vsd n ASP 121 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1vsd n ASN 122 N -3.08 3.06 -4.54 -1.12 4.13 -1.26 -4.85 115.26 107.60 1vsd n ASN 122 Ca 0.05 -2.39 -0.43 0.00 1.68 0.00 0.00 54.58 53.49 1vsd n ASN 122 Cb 0.16 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 37.84 1vsd n ASN 122 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vsd n GLY 123 N 0.34 -0.74 2.26 7.41 0.00 -1.26 -4.73 105.19 108.46 1vsd n GLY 123 Ca 0.13 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.27 1vsd n GLY 123 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vsd n SER 124 N 1.05 2.16 0.00 1.61 3.41 -1.26 -2.37 113.62 118.22 1vsd n SER 124 Ca 0.11 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1vsd n SER 124 Cb 0.36 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1vsd n SER 124 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1vsd n PHE 126 N 2.72 0.00 0.02 7.33 3.72 -1.26 -1.97 117.46 128.02 1vsd n PHE 126 Ca 0.16 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.63 1vsd n PHE 126 Cb 0.37 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.04 1vsd n PHE 126 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1vsd n THR 127 N 0.00 0.70 -1.06 4.37 -2.24 -1.00 -4.57 114.28 110.47 1vsd n THR 127 Ca 0.00 -0.85 -0.30 0.00 -2.27 0.00 0.00 64.05 60.63 1vsd n THR 127 Cb 0.00 0.73 0.15 0.00 -2.10 0.00 0.00 70.33 69.11 1vsd n THR 127 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1vsd s SER 128 N -1.01 3.20 0.20 3.42 1.04 -0.83 -4.80 113.70 114.92 1vsd s SER 128 Ca 0.23 1.62 -0.10 0.00 0.48 0.00 0.00 55.95 58.17 1vsd s SER 128 Cb 0.13 -2.27 0.14 0.00 0.10 0.00 0.00 66.02 64.12 1vsd s SER 128 CO 0.17 -2.83 1.83 0.50 0.98 0.00 0.00 173.24 173.89 1vsd h LYS 129 N -1.68 1.02 -0.11 4.02 3.11 -1.94 0.13 116.57 121.11 1vsd h LYS 129 Ca -0.49 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 57.23 1vsd h LYS 129 Cb 1.28 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 32.30 1vsd h LYS 129 CO 0.52 0.75 0.07 1.03 -2.81 0.00 0.00 179.45 179.01 1vsd h SER 130 N 1.02 0.13 -0.40 4.20 0.87 -1.98 0.51 113.55 117.90 1vsd h SER 130 Ca 0.26 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.68 1vsd h SER 130 Cb 0.02 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1vsd h SER 130 CO -0.04 0.10 -0.28 0.74 -0.53 0.00 0.00 176.83 176.81 1vsd h THR 131 N 0.15 1.27 -0.78 2.23 2.02 -1.85 -1.16 112.91 114.79 1vsd h THR 131 Ca 0.04 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.78 1vsd h THR 131 Cb -0.01 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1vsd h THR 131 CO -0.01 0.49 0.49 0.03 0.37 0.00 0.00 175.52 176.89 1vsd h ARG 132 N 0.78 1.04 -0.33 6.66 3.08 -0.69 -1.73 114.38 123.19 1vsd h ARG 132 Ca 0.09 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 1vsd h ARG 132 Cb 0.85 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1vsd h ARG 132 CO 0.08 0.72 -0.33 1.49 -1.07 0.00 0.00 179.97 180.85 1vsd h GLU 133 N 1.06 0.72 -0.53 0.04 4.57 -0.68 -1.72 114.58 118.05 1vsd h GLU 133 Ca 0.28 -0.34 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1vsd h GLU 133 Cb -0.08 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 1vsd h GLU 133 CO -0.06 0.95 0.32 2.35 -1.18 0.00 0.00 179.01 181.39 1vsd h TRP 134 N 0.61 0.61 -0.50 0.92 7.01 -0.81 -0.65 115.95 123.13 1vsd h TRP 134 Ca 0.07 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.01 1vsd h TRP 134 Cb 0.85 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.69 1vsd h TRP 134 CO 0.04 0.35 0.02 -0.07 -2.79 0.00 0.00 178.44 176.00 1vsd h LEU 135 N 0.65 0.78 -0.85 0.65 3.38 -1.27 -2.64 115.31 116.00 1vsd h LEU 135 Ca 0.21 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1vsd h LEU 135 Cb 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1vsd h LEU 135 CO -0.09 0.83 -0.31 0.00 0.09 0.00 0.00 178.44 178.97 1vsd h ALA 136 N 1.26 1.02 -0.64 1.53 0.00 -0.81 -1.78 119.26 119.83 1vsd h ALA 136 Ca 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1vsd h ALA 136 Cb 0.43 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1vsd h ALA 136 CO 0.02 0.59 0.35 -0.09 0.00 0.00 0.00 179.25 180.11 1vsd h ARG 137 N 0.43 0.89 0.00 0.00 2.43 -0.79 -2.20 114.38 115.14 1vsd h ARG 137 Ca 0.05 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1vsd h ARG 137 Cb 0.76 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1vsd h ARG 137 CO 0.06 0.66 -0.25 0.91 -1.51 0.00 0.00 179.97 179.84 1vsd n TRP 138 N -4.37 0.02 -2.23 2.20 7.02 -1.03 -4.96 117.44 114.09 1vsd n TRP 138 Ca 0.06 0.01 -0.04 0.00 -1.02 0.00 0.00 57.50 56.50 1vsd n TRP 138 Cb 0.10 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 28.60 1vsd n TRP 138 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vsd n GLY 139 N 1.49 0.30 3.54 6.99 0.00 -0.76 -5.04 105.19 111.72 1vsd n GLY 139 Ca 0.06 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 1vsd n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsd s ILE 140 N -2.41 3.95 0.35 -0.61 1.01 -0.75 -4.98 121.20 117.76 1vsd s ILE 140 Ca 0.03 -0.35 -0.24 0.00 0.00 0.00 0.00 60.65 60.09 1vsd s ILE 140 Cb -0.01 -2.71 -0.10 0.00 0.01 0.00 0.00 42.46 39.65 1vsd s ILE 140 CO 0.03 0.52 0.93 0.00 0.00 0.00 0.00 174.94 176.42 1vsd s ALA 141 N 0.06 3.18 -0.05 9.38 0.00 -0.82 -4.50 121.76 129.01 1vsd s ALA 141 Ca 0.00 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.46 1vsd s ALA 141 Cb -0.13 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.84 1vsd s ALA 141 CO 0.03 0.17 -0.13 -1.58 0.00 0.00 0.00 175.76 174.25 1vsd s HIS 142 N -1.76 1.43 0.04 0.00 2.46 -1.26 -1.05 115.29 115.16 1vsd s HIS 142 Ca 0.53 -0.45 0.03 0.00 0.47 0.00 0.00 55.06 55.63 1vsd s HIS 142 Cb -0.16 -1.01 -0.02 0.00 -0.13 0.00 0.00 32.58 31.26 1vsd s HIS 142 CO 0.21 -0.20 -0.09 -0.08 -2.47 0.00 0.00 174.74 172.11 1vsd s THR 143 N 0.34 0.68 -1.16 0.89 -1.32 -0.65 -4.98 115.64 109.44 1vsd s THR 143 Ca -0.08 -1.05 0.12 0.00 -1.21 0.00 0.00 61.69 59.47 1vsd s THR 143 Cb -0.13 -0.70 0.30 0.00 -1.51 0.00 0.00 72.50 70.46 1vsd s THR 143 CO 0.02 -0.28 1.21 0.35 -2.21 0.00 0.00 174.62 173.71 1vsd n THR 144 N 1.58 0.79 -4.51 5.08 -2.24 -1.26 -1.59 114.28 112.14 1vsd n THR 144 Ca -0.21 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 1vsd n THR 144 Cb 0.55 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1vsd n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vsd n GLY 145 N 0.66 -0.03 3.69 3.38 0.00 -1.26 -4.70 105.19 106.94 1vsd n GLY 145 Ca 0.12 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1vsd n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsd s ILE 146 N 0.00 3.49 -0.90 -0.61 1.09 -1.26 -4.86 121.20 118.15 1vsd s ILE 146 Ca 0.00 0.94 -0.25 0.00 -1.10 0.00 0.00 60.65 60.24 1vsd s ILE 146 Cb 0.00 -3.60 -0.24 0.00 -1.06 0.00 0.00 42.46 37.56 1vsd s ILE 146 CO 0.00 0.02 1.98 -0.81 -0.10 0.00 0.00 174.94 176.02 1vsd n PRO 147 N 5.07 0.07 0.00 2.79 -0.04 -1.26 0.56 135.00 142.19 1vsd n PRO 147 Ca 0.13 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 1vsd n PRO 147 Cb 0.43 -3.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.30 1vsd n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vsd n GLY 148 N 5.89 1.35 0.33 0.55 0.00 -1.26 -5.00 105.19 107.05 1vsd n GLY 148 Ca 0.39 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.61 1vsd n GLY 148 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1vsd h ASN 149 N 0.00 0.00 0.00 1.61 -0.73 -0.24 -3.45 115.58 112.77 1vsd h ASN 149 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1vsd h ASN 149 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1vsd h ASN 149 CO 0.00 0.00 0.00 -0.24 -0.37 0.00 0.00 177.43 176.82 1vsd n SER 150 N -3.25 0.00 -0.11 1.15 2.88 -1.26 -4.49 113.62 108.53 1vsd n SER 150 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1vsd n SER 150 Cb 0.09 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1vsd n SER 150 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vsd n GLN 151 N -0.24 0.00 0.00 -1.46 6.02 -1.26 -4.99 117.38 115.45 1vsd n GLN 151 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1vsd n GLN 151 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1vsd n GLN 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vsd n GLY 152 N 0.00 2.29 2.79 1.08 0.00 -1.26 -4.87 105.19 105.22 1vsd n GLY 152 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1vsd n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsd n GLN 153 N -0.31 1.60 0.20 1.61 10.64 -1.26 -4.84 117.38 125.02 1vsd n GLN 153 Ca 0.00 -3.20 0.04 0.00 -1.83 0.00 0.00 57.00 52.01 1vsd n GLN 153 Cb 0.00 -1.31 0.42 0.00 -0.86 0.00 0.00 30.24 28.49 1vsd n GLN 153 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1vsd h ALA 154 N 2.49 1.37 -0.29 2.61 0.00 -1.97 -1.57 119.26 121.90 1vsd h ALA 154 Ca -0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1vsd h ALA 154 Cb 1.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1vsd h ALA 154 CO 0.18 0.39 0.09 0.52 0.00 0.00 0.00 179.25 180.43 1vsd h MET 155 N 0.00 0.45 -0.01 0.00 2.86 -2.00 -1.36 114.93 114.88 1vsd h MET 155 Ca -0.00 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 1vsd h MET 155 Cb 0.60 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1vsd h MET 155 CO 0.04 0.51 -0.51 -0.24 1.06 0.00 0.00 176.91 177.77 1vsd h VAL 156 N 0.31 1.37 -0.72 -2.22 3.04 -1.83 -1.39 116.25 114.80 1vsd h VAL 156 Ca 0.09 -1.76 -0.04 0.00 -1.01 0.00 0.00 66.70 63.99 1vsd h VAL 156 Cb 0.25 1.94 -0.03 0.00 -2.01 0.00 0.00 31.29 31.44 1vsd h VAL 156 CO -0.00 0.50 0.31 -0.33 -1.01 0.00 0.00 177.57 177.04 1vsd h GLU 157 N 0.01 1.05 -0.36 4.17 5.08 -0.99 -0.85 114.58 122.70 1vsd h GLU 157 Ca -0.00 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.03 1vsd h GLU 157 Cb 0.91 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1vsd h GLU 157 CO 0.07 0.84 -0.40 -0.09 -1.00 0.00 0.00 179.01 178.42 1vsd h ARG 158 N 1.03 0.90 -0.70 2.33 2.43 -1.01 -2.68 114.38 116.68 1vsd h ARG 158 Ca 0.24 -0.49 -0.03 0.00 -0.81 0.00 0.00 59.98 58.89 1vsd h ARG 158 Cb 0.16 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1vsd h ARG 158 CO -0.03 1.14 0.33 0.00 -1.51 0.00 0.00 179.97 179.91 1vsd h ALA 159 N 0.75 1.26 -0.55 2.80 0.00 -0.94 -0.85 119.26 121.73 1vsd h ALA 159 Ca 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1vsd h ALA 159 Cb 1.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1vsd h ALA 159 CO 0.10 0.57 0.34 -0.91 0.00 0.00 0.00 179.25 179.34 1vsd h ASN 160 N 1.00 0.56 -0.26 0.00 2.35 -0.97 0.45 115.58 118.72 1vsd h ASN 160 Ca 0.24 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.84 1vsd h ASN 160 Cb 0.11 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1vsd h ASN 160 CO -0.03 0.40 -0.42 -0.09 -1.65 0.00 0.00 177.43 175.64 1vsd h ARG 161 N 0.68 0.74 -0.37 0.81 2.43 -1.14 -1.54 114.38 115.99 1vsd h ARG 161 Ca 0.21 -0.45 -0.09 0.00 -0.81 0.00 0.00 59.98 58.84 1vsd h ARG 161 Cb -0.01 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1vsd h ARG 161 CO -0.08 1.08 -0.14 -0.07 -1.51 0.00 0.00 179.97 179.25 1vsd h LEU 162 N 0.48 0.66 -0.05 3.80 3.38 -0.93 -1.81 115.31 120.83 1vsd h LEU 162 Ca 0.02 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1vsd h LEU 162 Cb 1.02 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1vsd h LEU 162 CO 0.10 0.81 0.02 0.25 0.09 0.00 0.00 178.44 179.71 1vsd h LEU 163 N 0.60 0.07 -1.24 1.67 5.85 -0.82 -1.52 115.31 119.92 1vsd h LEU 163 Ca 0.10 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 1vsd h LEU 163 Cb 0.58 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1vsd h LEU 163 CO 0.04 0.21 -0.02 0.11 -0.34 0.00 0.00 178.44 178.43 1vsd h LYS 164 N -0.07 0.49 -0.47 1.25 1.57 -1.13 -0.58 116.57 117.63 1vsd h LYS 164 Ca 0.02 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 1vsd h LYS 164 Cb 0.16 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1vsd h LYS 164 CO -0.00 0.53 -0.05 0.22 -0.57 0.00 0.00 179.45 179.58 1vsd h ASP 165 N 0.47 0.86 -0.66 0.86 3.58 -1.10 -1.75 116.42 118.67 1vsd h ASP 165 Ca 0.10 -0.34 -0.08 0.00 0.42 0.00 0.00 57.03 57.13 1vsd h ASP 165 Cb 0.34 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1vsd h ASP 165 CO 0.01 0.99 0.09 0.50 -2.88 0.00 0.00 179.24 177.96 1vsd h LYS 166 N 0.71 1.10 -0.53 0.28 1.63 -0.90 0.19 116.57 119.05 1vsd h LYS 166 Ca 0.13 -0.30 -0.02 0.00 -0.85 0.00 0.00 60.65 59.60 1vsd h LYS 166 Cb 0.58 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1vsd h LYS 166 CO 0.03 1.02 0.26 0.82 -3.45 0.00 0.00 179.45 178.13 1vsd h ILE 167 N 1.02 1.20 -0.16 2.00 2.04 -0.92 -1.05 117.51 121.64 1vsd h ILE 167 Ca 0.20 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1vsd h ILE 167 Cb 0.46 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1vsd h ILE 167 CO 0.02 0.22 0.07 -0.09 0.00 0.00 0.00 178.15 178.37 1vsd h ARG 168 N 0.71 0.23 -0.76 2.37 2.43 -1.01 0.37 114.38 118.73 1vsd h ARG 168 Ca 0.18 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1vsd h ARG 168 Cb 0.11 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1vsd h ARG 168 CO -0.02 0.29 0.25 -0.39 -1.51 0.00 0.00 179.97 178.59 1vsd h VAL 169 N 0.12 1.26 -0.49 0.20 -1.51 -0.80 -0.56 116.25 114.47 1vsd h VAL 169 Ca 0.05 -0.89 -0.10 0.00 -1.23 0.00 0.00 66.70 64.53 1vsd h VAL 169 Cb 0.14 0.41 -0.02 0.00 -2.13 0.00 0.00 31.29 29.69 1vsd h VAL 169 CO -0.01 0.35 -0.10 -0.07 -1.23 0.00 0.00 177.57 176.52 1vsd h LEU 170 N 1.12 0.93 0.17 4.19 3.38 -1.00 -1.09 115.31 123.01 1vsd h LEU 170 Ca 0.25 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1vsd h LEU 170 Cb 0.29 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1vsd h LEU 170 CO -0.01 1.07 -0.08 0.00 0.09 0.00 0.00 178.44 179.51 1vsd h ALA 171 N 0.89 -0.23 -0.25 1.53 0.00 -0.82 -2.13 119.26 118.26 1vsd h ALA 171 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1vsd h ALA 171 Cb 0.65 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1vsd h ALA 171 CO 0.05 -0.57 0.08 0.93 0.00 0.00 0.00 179.25 179.74 1vsd h GLU 172 N -0.36 0.34 -0.17 0.00 5.08 -1.04 -0.66 114.58 117.78 1vsd h GLU 172 Ca -0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1vsd h GLU 172 Cb 0.28 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1vsd h GLU 172 CO 0.04 0.31 0.02 0.78 -1.00 0.00 0.00 179.01 179.16 1vsd h GLY 173 N 0.52 0.25 -1.27 -3.84 0.00 -0.70 -1.04 103.07 96.98 1vsd h GLY 173 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1vsd h GLY 173 CO -0.01 0.11 0.00 1.22 0.00 0.00 0.00 176.54 177.86 1vsd n ASP 174 N -4.42 2.06 0.00 0.19 8.00 -0.56 -4.94 116.55 116.88 1vsd n ASP 174 Ca -0.00 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1vsd n ASP 174 Cb 0.15 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1vsd n ASP 174 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vsd n GLY 175 N 1.17 0.64 3.35 0.44 0.00 -0.40 -5.03 105.19 105.36 1vsd n GLY 175 Ca 0.15 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1vsd n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vsd s PHE 176 N -2.00 3.27 -0.70 1.61 0.08 -0.36 -4.91 117.98 114.97 1vsd s PHE 176 Ca 0.00 -1.13 0.23 0.00 0.12 0.00 0.00 56.93 56.15 1vsd s PHE 176 Cb 0.00 -3.12 0.10 0.00 -0.57 0.00 0.00 43.02 39.42 1vsd s PHE 176 CO 0.00 -0.82 1.08 -1.33 -0.10 0.00 0.00 175.22 174.05 1vsd n MET 177 N 5.11 0.22 0.00 0.44 2.81 -1.26 -3.15 117.12 121.29 1vsd n MET 177 Ca -0.12 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1vsd n MET 177 Cb 0.43 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 1vsd n MET 177 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1vsd n LYS 178 N -1.86 0.00 -2.46 0.03 4.76 -1.26 -5.03 118.16 112.33 1vsd n LYS 178 Ca 0.03 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.06 1vsd n LYS 178 Cb 0.41 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.56 1vsd n LYS 178 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1vsd s ARG 179 N 3.37 4.63 0.05 1.97 3.52 -1.26 -4.78 118.95 126.46 1vsd s ARG 179 Ca 0.00 1.82 -0.30 0.00 -0.13 0.00 0.00 55.73 57.12 1vsd s ARG 179 Cb 0.00 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1vsd s ARG 179 CO 0.00 0.19 1.01 0.42 -0.81 0.00 0.00 175.30 176.12 1vsd s ILE 180 N -1.13 4.59 0.21 4.11 1.01 -0.10 -4.98 121.20 124.92 1vsd s ILE 180 Ca 0.45 1.96 -0.32 0.00 0.00 0.00 0.00 60.65 62.73 1vsd s ILE 180 Cb -0.32 -4.25 -0.15 0.00 0.01 0.00 0.00 42.46 37.75 1vsd s ILE 180 CO 0.41 0.20 1.26 -2.65 0.00 0.00 0.00 174.94 174.16 1vsd n PRO 181 N 3.50 1.54 -0.33 2.79 -0.02 -1.26 -4.77 135.00 136.45 1vsd n PRO 181 Ca 0.05 0.55 0.14 0.00 -2.02 0.00 0.00 63.50 62.22 1vsd n PRO 181 Cb 0.50 -2.10 0.32 0.00 -0.02 0.00 0.00 33.50 32.20 1vsd n PRO 181 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1vsd h THR 182 N 2.78 0.58 0.00 3.45 2.02 -1.93 -0.54 112.91 119.27 1vsd h THR 182 Ca -0.44 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1vsd h THR 182 Cb 1.31 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1vsd h THR 182 CO 0.72 0.10 0.00 0.77 0.37 0.00 0.00 175.52 177.48 1vsd h SER 183 N 0.57 0.00 0.00 4.18 4.64 -2.00 -3.03 113.55 117.90 1vsd h SER 183 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1vsd h SER 183 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1vsd h SER 183 CO -0.46 0.00 -1.13 0.29 -0.87 0.00 0.00 176.83 174.66 1vsd n LYS 184 N -2.34 0.14 -0.10 4.77 4.76 -0.23 -4.63 118.16 120.53 1vsd n LYS 184 Ca 0.03 -0.03 -0.08 0.00 -2.87 0.00 0.00 58.31 55.35 1vsd n LYS 184 Cb 0.28 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.96 1vsd n LYS 184 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1vsd h GLN 185 N 0.00 0.40 -0.44 1.97 4.20 -1.38 -2.54 115.11 117.33 1vsd h GLN 185 Ca 0.00 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.73 1vsd h GLN 185 Cb 0.57 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 1vsd h GLN 185 CO 0.00 0.27 0.20 0.78 -0.67 0.00 0.00 178.83 179.41 1vsd h GLY 186 N 0.42 0.59 1.81 3.46 0.00 -1.82 0.15 103.07 107.68 1vsd h GLY 186 Ca 0.13 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1vsd h GLY 186 CO -0.05 0.08 -0.55 0.83 0.00 0.00 0.00 176.54 176.85 1vsd h GLU 187 N 0.40 0.20 -0.44 4.80 5.08 -1.87 -1.25 114.58 121.51 1vsd h GLU 187 Ca 0.19 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1vsd h GLU 187 Cb 0.13 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1vsd h GLU 187 CO -0.16 0.70 -0.14 1.25 -1.00 0.00 0.00 179.01 179.66 1vsd h LEU 188 N 0.16 0.89 -0.54 1.33 6.46 -0.99 -0.43 115.31 122.19 1vsd h LEU 188 Ca 0.00 -0.38 -0.09 0.00 -0.12 0.00 0.00 57.88 57.29 1vsd h LEU 188 Cb 1.01 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 1vsd h LEU 188 CO 0.08 1.07 -0.03 0.25 -0.62 0.00 0.00 178.44 179.19 1vsd h LEU 189 N 0.71 0.95 -1.26 2.25 5.85 -0.59 -1.36 115.31 121.87 1vsd h LEU 189 Ca 0.11 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1vsd h LEU 189 Cb 0.70 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1vsd h LEU 189 CO 0.05 1.04 0.17 0.00 -0.34 0.00 0.00 178.44 179.36 1vsd h ALA 190 N 0.94 1.42 -0.45 1.25 0.00 -1.02 -1.42 119.26 119.98 1vsd h ALA 190 Ca 0.15 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1vsd h ALA 190 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1vsd h ALA 190 CO 0.03 0.44 -0.15 -0.22 0.00 0.00 0.00 179.25 179.35 1vsd h LYS 191 N 0.67 0.89 -0.68 0.00 3.64 -0.66 -0.20 116.57 120.22 1vsd h LYS 191 Ca 0.16 -0.36 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 1vsd h LYS 191 Cb 0.17 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1vsd h LYS 191 CO -0.01 1.01 0.15 0.00 -2.27 0.00 0.00 179.45 178.32 1vsd h ALA 192 N 0.86 0.90 -0.44 5.00 0.00 -0.79 -0.57 119.26 124.22 1vsd h ALA 192 Ca 0.11 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1vsd h ALA 192 Cb 0.70 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1vsd h ALA 192 CO 0.05 0.64 0.01 1.98 0.00 0.00 0.00 179.25 181.93 1vsd h MET 193 N 1.03 0.77 -0.13 0.00 1.85 -1.03 -2.18 114.93 115.24 1vsd h MET 193 Ca 0.21 -0.24 0.02 0.00 -0.61 0.00 0.00 59.70 59.09 1vsd h MET 193 Cb 0.39 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.33 1vsd h MET 193 CO 0.01 0.83 -0.01 -0.92 -0.40 0.00 0.00 176.91 176.42 1vsd h TYR 194 N 0.61 -0.02 -0.49 1.39 3.20 -0.86 -2.33 116.97 118.47 1vsd h TYR 194 Ca 0.13 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.04 1vsd h TYR 194 Cb 0.47 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 1vsd h TYR 194 CO 0.04 -0.03 0.33 0.00 -1.64 0.00 0.00 178.16 176.86 1vsd h ALA 195 N 1.12 1.77 0.00 1.82 0.00 -0.83 0.17 119.26 123.31 1vsd h ALA 195 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vsd h ALA 195 Cb 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1vsd h ALA 195 CO -0.11 0.17 -0.54 -0.07 0.00 0.00 0.00 179.25 178.70 1vsd h LEU 196 N 0.55 0.00 0.00 0.00 3.38 -1.15 -3.37 115.31 114.72 1vsd h LEU 196 Ca 0.20 -0.16 -0.30 0.00 0.09 0.00 0.00 57.88 57.71 1vsd h LEU 196 Cb 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1vsd h LEU 196 CO -0.05 0.08 -2.13 0.59 0.09 0.00 0.00 178.44 177.02 1vsd n ASN 197 N -2.22 2.22 -4.39 -0.43 3.02 -0.90 -4.89 115.26 107.67 1vsd n ASN 197 Ca 0.03 -0.09 -0.34 0.00 -0.03 0.00 0.00 54.58 54.15 1vsd n ASN 197 Cb 0.45 -0.11 -0.13 0.00 -0.61 0.00 0.00 39.78 39.37 1vsd n ASN 197 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1vsd s HIS 198 N -2.40 2.97 0.00 3.10 3.76 0.55 -5.04 115.29 118.23 1vsd s HIS 198 Ca -0.24 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 1vsd s HIS 198 Cb 0.07 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.72 1vsd s HIS 198 CO 0.49 -0.32 0.21 1.19 -0.85 0.00 0.00 174.74 175.46