#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsm n LEU 55 N 0.00 0.00 -4.77 0.99 4.77 -1.26 -4.77 117.00 111.96 1vsm n LEU 55 Ca 0.00 0.05 -0.29 0.00 -0.03 0.00 0.00 56.01 55.74 1vsm n LEU 55 Cb 0.00 -0.05 0.16 0.00 -2.33 0.00 0.00 43.42 41.20 1vsm n LEU 55 CO 0.00 -0.03 0.72 -0.83 -1.33 0.00 0.00 177.39 175.92 1vsm s GLY 56 N -2.11 1.60 0.68 -0.72 0.00 -1.26 -5.00 107.32 100.51 1vsm s GLY 56 Ca 0.21 -0.67 -0.13 0.00 0.00 0.00 0.00 44.72 44.13 1vsm s GLY 56 CO 0.18 -0.03 1.07 -4.14 0.00 0.00 0.00 173.10 170.19 1vsm s PRO 57 N -5.35 2.88 0.74 2.90 0.02 -1.26 -5.04 135.00 129.89 1vsm s PRO 57 Ca 0.66 1.13 -0.11 0.00 0.02 0.00 0.00 61.00 62.70 1vsm s PRO 57 Cb -0.13 -1.98 0.04 0.00 0.02 0.00 0.00 34.50 32.45 1vsm s PRO 57 CO 0.54 -1.15 1.08 -0.51 -0.33 0.00 0.00 177.00 176.63 1vsm s LEU 58 N -5.24 2.87 -0.83 -5.54 1.02 -1.26 -5.01 118.68 104.68 1vsm s LEU 58 Ca 0.61 1.46 -0.02 0.00 0.02 0.00 0.00 54.13 56.20 1vsm s LEU 58 Cb -0.16 -4.21 0.21 0.00 0.02 0.00 0.00 46.19 42.05 1vsm s LEU 58 CO 0.48 -1.69 0.71 -1.10 0.02 0.00 0.00 176.35 174.77 1vsm s GLN 59 N -5.10 3.13 -0.02 1.70 1.11 -1.26 -4.49 119.66 114.72 1vsm s GLN 59 Ca 0.59 -3.10 0.05 0.00 0.01 0.00 0.00 55.36 52.91 1vsm s GLN 59 Cb -0.14 -3.92 -0.01 0.00 -1.01 0.00 0.00 33.01 27.93 1vsm s GLN 59 CO 0.55 -1.25 -0.16 0.42 0.01 0.00 0.00 175.29 174.86 1vsm s ILE 60 N -1.03 1.29 0.34 1.08 1.01 -1.26 -0.95 121.20 121.68 1vsm s ILE 60 Ca 0.25 -0.67 0.09 0.00 0.00 0.00 0.00 60.65 60.32 1vsm s ILE 60 Cb -0.10 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 1vsm s ILE 60 CO -0.10 0.37 0.03 0.26 0.00 0.00 0.00 174.94 175.49 1vsm s TRP 61 N -0.19 2.57 -0.02 3.97 0.51 -0.70 -1.30 118.94 123.78 1vsm s TRP 61 Ca 0.02 -0.43 0.04 0.00 -2.12 0.00 0.00 56.10 53.61 1vsm s TRP 61 Cb -0.08 -1.51 -0.00 0.00 -0.81 0.00 0.00 33.47 31.07 1vsm s TRP 61 CO 0.00 0.46 -0.13 -0.65 -0.51 0.00 0.00 176.95 176.13 1vsm s GLN 62 N -3.73 1.22 -0.02 4.98 -0.21 -0.10 -0.64 119.66 121.16 1vsm s GLN 62 Ca 0.35 -0.46 0.02 0.00 0.02 0.00 0.00 55.36 55.29 1vsm s GLN 62 Cb -0.00 -1.13 0.00 0.00 1.00 0.00 0.00 33.01 32.88 1vsm s GLN 62 CO 0.20 0.22 -0.06 0.99 -2.12 0.00 0.00 175.29 174.52 1vsm s THR 63 N -0.06 0.49 0.33 -0.19 2.01 -0.59 -0.31 115.64 117.31 1vsm s THR 63 Ca 0.00 -0.22 -0.08 0.00 0.31 0.00 0.00 61.69 61.71 1vsm s THR 63 Cb -0.08 -0.45 0.01 0.00 0.01 0.00 0.00 72.50 72.00 1vsm s THR 63 CO 0.00 0.16 0.54 1.51 -0.69 0.00 0.00 174.62 176.14 1vsm s ASP 64 N 0.16 0.47 -0.02 3.53 1.47 -0.76 -4.55 116.67 116.98 1vsm s ASP 64 Ca -0.02 -1.27 0.01 0.00 1.18 0.00 0.00 52.55 52.45 1vsm s ASP 64 Cb -0.06 0.68 -0.04 0.00 -0.34 0.00 0.00 42.92 43.17 1vsm s ASP 64 CO -0.00 -1.34 -0.00 -0.36 0.68 0.00 0.00 175.17 174.15 1vsm s PHE 65 N -3.15 3.08 -0.00 2.11 0.40 -1.26 -1.56 117.98 117.60 1vsm s PHE 65 Ca 0.25 0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.68 1vsm s PHE 65 Cb -0.01 -1.69 -0.00 0.00 0.51 0.00 0.00 43.02 41.83 1vsm s PHE 65 CO 0.16 0.46 -0.01 -0.08 0.70 0.00 0.00 175.22 176.44 1vsm s THR 66 N -1.04 0.06 -0.18 0.64 -1.32 0.15 -4.99 115.64 108.96 1vsm s THR 66 Ca 0.18 -0.03 -0.21 0.00 -1.21 0.00 0.00 61.69 60.42 1vsm s THR 66 Cb -0.11 -0.06 -0.03 0.00 -1.51 0.00 0.00 72.50 70.79 1vsm s THR 66 CO 0.09 0.02 0.65 -0.22 -2.21 0.00 0.00 174.62 172.95 1vsm s LEU 67 N -0.01 4.17 -0.36 9.08 2.96 -1.26 -1.00 118.68 132.25 1vsm s LEU 67 Ca 0.00 0.90 0.01 0.00 -0.22 0.00 0.00 54.13 54.83 1vsm s LEU 67 Cb -0.00 -2.94 0.11 0.00 0.50 0.00 0.00 46.19 43.86 1vsm s LEU 67 CO -0.00 -0.27 0.13 -0.70 -1.32 0.00 0.00 176.35 174.19 1vsm s GLU 68 N 1.80 1.12 0.58 1.98 2.56 0.66 -4.99 118.70 122.42 1vsm s GLU 68 Ca 0.30 -1.59 0.34 0.00 0.00 0.00 0.00 54.97 54.02 1vsm s GLU 68 Cb -0.16 -2.46 1.77 0.00 2.00 0.00 0.00 34.13 35.28 1vsm s GLU 68 CO 0.11 -1.03 2.17 -1.35 -0.56 0.00 0.00 175.26 174.60 1vsm h PRO 69 N 7.54 0.00 0.00 4.30 0.11 -1.96 -1.33 132.00 140.66 1vsm h PRO 69 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1vsm h PRO 69 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1vsm h PRO 69 CO 0.50 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 1vsm h ARG 70 N 0.00 0.00 -0.56 1.05 3.08 -1.94 -2.49 114.38 113.52 1vsm h ARG 70 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vsm h ARG 70 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1vsm h ARG 70 CO 0.01 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.58 1vsm n MET 71 N -2.63 3.63 -2.15 0.04 2.81 -0.50 -0.80 117.12 117.52 1vsm n MET 71 Ca -0.02 -2.82 -0.36 0.00 -1.81 0.00 0.00 57.70 52.70 1vsm n MET 71 Cb 0.08 -1.85 0.01 0.00 -0.71 0.00 0.00 33.22 30.76 1vsm n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vsm s ALA 72 N -1.96 2.68 0.33 3.04 0.00 -0.94 -2.68 121.76 122.23 1vsm s ALA 72 Ca 0.47 0.93 0.07 0.00 0.00 0.00 0.00 51.96 53.44 1vsm s ALA 72 Cb 0.31 -3.41 0.60 0.00 0.00 0.00 0.00 23.12 20.63 1vsm s ALA 72 CO 0.21 -0.93 1.80 -1.35 0.00 0.00 0.00 175.76 175.49 1vsm h PRO 73 N 1.19 0.28 -3.77 0.00 0.11 -1.95 -3.45 132.00 124.41 1vsm h PRO 73 Ca -0.50 -0.09 -0.75 0.00 0.11 0.00 0.00 66.00 64.77 1vsm h PRO 73 Cb 1.28 -0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 1vsm h PRO 73 CO 0.57 0.52 2.08 0.54 -0.21 0.00 0.00 178.00 181.49 1vsm n ARG 74 N -4.16 3.49 -0.05 1.05 1.74 -1.09 -4.74 116.66 112.90 1vsm n ARG 74 Ca -0.01 -3.45 0.12 0.00 -0.77 0.00 0.00 57.85 53.74 1vsm n ARG 74 Cb 0.37 -3.00 0.43 0.00 -1.02 0.00 0.00 32.46 29.24 1vsm n ARG 74 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1vsm n SER 75 N 4.46 1.66 -4.55 0.55 3.41 -1.17 -4.06 113.62 113.91 1vsm n SER 75 Ca 0.41 -1.64 -0.40 0.00 -0.26 0.00 0.00 58.87 56.98 1vsm n SER 75 Cb 0.38 -0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.17 1vsm n SER 75 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1vsm s TRP 76 N -1.87 3.21 -0.18 7.33 0.52 -0.65 -0.24 118.94 127.06 1vsm s TRP 76 Ca 0.35 0.03 -0.12 0.00 0.02 0.00 0.00 56.10 56.37 1vsm s TRP 76 Cb 0.19 -2.65 -0.05 0.00 -1.15 0.00 0.00 33.47 29.81 1vsm s TRP 76 CO 0.29 -0.40 0.23 -0.51 0.02 0.00 0.00 176.95 176.58 1vsm s LEU 77 N 2.02 4.22 -0.22 2.99 1.43 -0.17 0.54 118.68 129.49 1vsm s LEU 77 Ca 0.12 0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 53.51 1vsm s LEU 77 Cb -0.16 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 1vsm s LEU 77 CO 0.11 0.12 0.14 0.00 0.23 0.00 0.00 176.35 176.96 1vsm s ALA 78 N 0.48 3.64 -0.06 4.21 0.00 -0.72 -0.67 121.76 128.64 1vsm s ALA 78 Ca 0.13 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1vsm s ALA 78 Cb -0.12 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1vsm s ALA 78 CO 0.02 0.01 -0.17 0.08 0.00 0.00 0.00 175.76 175.69 1vsm s VAL 79 N 0.67 1.44 -0.08 0.00 1.01 -0.60 -1.59 120.40 121.25 1vsm s VAL 79 Ca 0.08 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1vsm s VAL 79 Cb -0.12 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1vsm s VAL 79 CO 0.01 0.42 -0.17 -0.89 0.00 0.00 0.00 175.10 174.46 1vsm s THR 80 N 0.22 1.53 -0.15 3.92 2.01 0.18 -1.82 115.64 121.53 1vsm s THR 80 Ca -0.08 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 1vsm s THR 80 Cb -0.13 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1vsm s THR 80 CO 0.03 0.44 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.70 1vsm s VAL 81 N 0.46 4.10 -0.46 3.82 1.01 0.57 -1.82 120.40 128.09 1vsm s VAL 81 Ca -0.15 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 1vsm s VAL 81 Cb -0.16 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.44 1vsm s VAL 81 CO 0.06 0.50 0.88 -0.62 0.00 0.00 0.00 175.10 175.91 1vsm s ASP 82 N 0.26 6.47 0.50 3.32 -1.08 -0.06 -0.92 116.67 125.16 1vsm s ASP 82 Ca -0.01 0.04 0.16 0.00 -0.52 0.00 0.00 52.55 52.21 1vsm s ASP 82 Cb -0.14 -2.43 1.20 0.00 -1.46 0.00 0.00 42.92 40.09 1vsm s ASP 82 CO 0.02 -1.01 2.10 0.71 0.52 0.00 0.00 175.17 177.52 1vsm h THR 83 N 6.05 1.03 0.00 1.71 1.35 -1.53 1.53 112.91 123.06 1vsm h THR 83 Ca -0.24 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1vsm h THR 83 Cb 1.08 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1vsm h THR 83 CO 1.01 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 176.33 1vsm n ALA 84 N -2.53 -0.20 0.32 6.62 0.00 -1.26 -4.21 120.51 119.24 1vsm n ALA 84 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.55 1vsm n ALA 84 Cb 0.14 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.98 1vsm n ALA 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vsm h SER 85 N 0.00 0.00 -1.00 0.00 4.64 -1.89 -3.47 113.55 111.83 1vsm h SER 85 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1vsm h SER 85 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1vsm h SER 85 CO 0.00 0.00 -0.25 -1.20 -0.87 0.00 0.00 176.83 174.51 1vsm n SER 86 N -2.88 -4.12 -4.77 4.97 7.64 0.52 -5.00 113.62 109.97 1vsm n SER 86 Ca 0.03 0.17 -0.37 0.00 1.01 0.00 0.00 58.87 59.70 1vsm n SER 86 Cb 0.42 -2.93 -0.02 0.00 -1.01 0.00 0.00 64.21 60.67 1vsm n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vsm s ALA 87 N -2.49 3.08 -0.12 -0.43 0.00 -1.23 -4.68 121.76 115.88 1vsm s ALA 87 Ca 0.00 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.87 1vsm s ALA 87 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1vsm s ALA 87 CO 0.00 -0.48 -0.21 0.42 0.00 0.00 0.00 175.76 175.49 1vsm s ILE 88 N -1.52 2.30 -0.12 0.00 1.01 -1.26 -0.88 121.20 120.72 1vsm s ILE 88 Ca 0.59 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1vsm s ILE 88 Cb -0.28 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 1vsm s ILE 88 CO 0.34 0.55 -0.15 -0.69 0.00 0.00 0.00 174.94 174.99 1vsm s VAL 89 N 0.54 2.90 -0.04 2.92 1.01 -0.76 -4.94 120.40 122.02 1vsm s VAL 89 Ca -0.13 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1vsm s VAL 89 Cb -0.17 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1vsm s VAL 89 CO 0.04 0.53 -0.11 0.54 0.00 0.00 0.00 175.10 176.11 1vsm s VAL 90 N 0.28 0.95 0.35 2.92 0.11 -1.26 -0.65 120.40 123.10 1vsm s VAL 90 Ca -0.11 -0.42 0.05 0.00 -2.93 0.00 0.00 61.98 58.57 1vsm s VAL 90 Cb -0.16 -0.86 -0.07 0.00 -1.53 0.00 0.00 36.38 33.76 1vsm s VAL 90 CO 0.06 0.30 0.03 0.42 -3.33 0.00 0.00 175.10 172.58 1vsm s THR 91 N 0.38 1.52 -0.12 5.04 -4.23 -0.62 -4.99 115.64 112.62 1vsm s THR 91 Ca -0.07 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1vsm s THR 91 Cb -0.12 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.87 1vsm s THR 91 CO 0.02 -0.03 -0.15 -1.58 -0.54 0.00 0.00 174.62 172.33 1vsm s GLN 92 N -3.81 3.24 0.05 3.99 0.74 -1.26 -1.75 119.66 120.85 1vsm s GLN 92 Ca 0.35 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 55.07 1vsm s GLN 92 Cb 0.09 -2.54 -0.02 0.00 1.10 0.00 0.00 33.01 31.63 1vsm s GLN 92 CO 0.16 0.25 -0.10 -1.01 -0.55 0.00 0.00 175.29 174.03 1vsm s HIS 93 N 0.25 0.90 0.20 1.67 3.76 0.19 -4.98 115.29 117.27 1vsm s HIS 93 Ca -0.10 -0.44 0.09 0.00 -0.15 0.00 0.00 55.06 54.46 1vsm s HIS 93 Cb -0.16 -0.52 0.08 0.00 1.11 0.00 0.00 32.58 33.09 1vsm s HIS 93 CO 0.06 -0.02 1.45 0.78 -0.85 0.00 0.00 174.74 176.16 1vsm h GLY 94 N 4.61 0.01 -4.03 -2.22 0.00 -1.84 -1.72 103.07 97.88 1vsm h GLY 94 Ca -0.37 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1vsm h GLY 94 CO 0.42 0.01 -0.24 -1.60 0.00 0.00 0.00 176.54 175.12 1vsm s ARG 95 N -3.18 0.78 -0.49 4.80 3.52 -1.26 -4.71 118.95 118.40 1vsm s ARG 95 Ca -0.00 -0.39 -0.19 0.00 -0.13 0.00 0.00 55.73 55.01 1vsm s ARG 95 Cb 0.11 0.34 0.05 0.00 -1.56 0.00 0.00 34.95 33.89 1vsm s ARG 95 CO 0.79 -0.24 0.61 0.14 -0.81 0.00 0.00 175.30 175.79 1vsm s VAL 96 N -2.15 4.89 0.27 7.11 -7.23 -1.26 -4.77 120.40 117.26 1vsm s VAL 96 Ca -0.08 -0.40 0.02 0.00 -1.81 0.00 0.00 61.98 59.72 1vsm s VAL 96 Cb -0.02 -4.26 -0.04 0.00 0.56 0.00 0.00 36.38 32.61 1vsm s VAL 96 CO -0.01 -0.74 0.14 0.42 -0.31 0.00 0.00 175.10 174.60 1vsm s THR 97 N 2.61 0.35 0.29 5.32 -4.23 -1.26 -4.92 115.64 113.81 1vsm s THR 97 Ca 0.16 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 1vsm s THR 97 Cb -0.18 -2.55 0.27 0.00 1.34 0.00 0.00 72.50 71.37 1vsm s THR 97 CO 0.13 0.00 1.94 0.28 -0.54 0.00 0.00 174.62 176.43 1vsm h SER 98 N 2.33 0.96 0.08 3.99 0.02 -1.90 -2.13 113.55 116.90 1vsm h SER 98 Ca -0.35 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.45 1vsm h SER 98 Cb 1.25 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1vsm h SER 98 CO 0.55 0.66 -0.47 0.58 -1.14 0.00 0.00 176.83 177.01 1vsm h VAL 99 N 1.12 1.32 0.00 2.27 2.07 -1.96 -1.80 116.25 119.27 1vsm h VAL 99 Ca 0.35 -1.67 -0.10 0.00 0.82 0.00 0.00 66.70 66.10 1vsm h VAL 99 Cb 0.02 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1vsm h VAL 99 CO -0.11 0.51 -0.50 0.00 0.02 0.00 0.00 177.57 177.50 1vsm h ALA 100 N 1.14 1.16 -0.21 1.67 0.00 -1.71 -0.10 119.26 121.20 1vsm h ALA 100 Ca 0.02 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 1vsm h ALA 100 Cb 0.96 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1vsm h ALA 100 CO 0.08 0.62 -0.38 0.00 0.00 0.00 0.00 179.25 179.58 1vsm h ALA 101 N 1.50 0.33 -0.51 0.00 0.00 -0.74 -2.39 119.26 117.45 1vsm h ALA 101 Ca -0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1vsm h ALA 101 Cb 0.89 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1vsm h ALA 101 CO 0.06 0.42 0.09 1.96 0.00 0.00 0.00 179.25 181.78 1vsm h GLN 102 N 0.33 0.84 -0.31 0.00 4.20 -1.17 -1.87 115.11 117.13 1vsm h GLN 102 Ca 0.01 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.52 1vsm h GLN 102 Cb 0.97 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 1vsm h GLN 102 CO 0.09 0.82 0.16 0.45 -0.67 0.00 0.00 178.83 179.68 1vsm h HIS 103 N 0.72 0.29 -0.42 2.96 3.86 -1.00 -1.32 115.15 120.24 1vsm h HIS 103 Ca 0.16 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.41 1vsm h HIS 103 Cb 0.39 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 1vsm h HIS 103 CO 0.03 0.16 0.21 1.25 0.86 0.00 0.00 177.93 180.44 1vsm h HIS 104 N 0.33 0.38 0.00 2.45 -0.00 -1.33 -2.44 115.15 114.53 1vsm h HIS 104 Ca 0.13 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.43 1vsm h HIS 104 Cb 0.04 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1vsm h HIS 104 CO -0.09 0.19 -0.41 -1.49 -0.00 0.00 0.00 177.93 176.14 1vsm h TRP 105 N 0.42 0.00 -0.80 5.26 6.55 -1.20 -0.20 115.95 125.98 1vsm h TRP 105 Ca 0.18 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.01 1vsm h TRP 105 Cb 0.09 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.35 1vsm h TRP 105 CO -0.10 0.41 0.47 0.00 -1.05 0.00 0.00 178.44 178.16 1vsm h ALA 106 N 1.59 1.02 -0.01 1.49 0.00 -1.04 0.31 119.26 122.63 1vsm h ALA 106 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1vsm h ALA 106 Cb 0.73 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1vsm h ALA 106 CO 0.05 0.50 -0.00 1.15 0.00 0.00 0.00 179.25 180.95 1vsm h THR 107 N 1.10 1.32 -0.69 0.00 2.02 -0.94 -2.85 112.91 112.87 1vsm h THR 107 Ca 0.28 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.54 1vsm h THR 107 Cb -0.02 1.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 1vsm h THR 107 CO -0.05 0.25 0.43 0.00 0.37 0.00 0.00 175.52 176.52 1vsm h ALA 108 N 0.61 0.90 -0.65 6.16 0.00 -0.81 -1.90 119.26 123.56 1vsm h ALA 108 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1vsm h ALA 108 Cb 0.41 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1vsm h ALA 108 CO 0.00 0.21 0.33 0.82 0.00 0.00 0.00 179.25 180.62 1vsm h ILE 109 N 0.85 0.91 0.00 0.00 2.04 -0.97 0.47 117.51 120.81 1vsm h ILE 109 Ca 0.27 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 1vsm h ILE 109 Cb 0.01 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1vsm h ILE 109 CO -0.10 0.11 -0.14 0.00 0.00 0.00 0.00 178.15 178.01 1vsm h ALA 110 N 1.37 1.20 0.09 1.87 0.00 -1.20 0.41 119.26 122.99 1vsm h ALA 110 Ca 0.30 -0.13 -0.35 0.00 0.00 0.00 0.00 54.91 54.74 1vsm h ALA 110 Cb 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1vsm h ALA 110 CO -0.22 0.18 -1.91 0.28 0.00 0.00 0.00 179.25 177.58 1vsm n VAL 111 N -3.55 1.72 0.39 0.00 0.31 -0.76 -4.65 118.33 111.78 1vsm n VAL 111 Ca -0.01 -0.53 0.04 0.00 -0.01 0.00 0.00 64.34 63.83 1vsm n VAL 111 Cb 0.29 -1.77 -0.05 0.00 -0.91 0.00 0.00 33.84 31.39 1vsm n VAL 111 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1vsm n LEU 112 N -3.66 0.39 0.00 7.52 4.77 0.16 -5.10 117.00 121.08 1vsm n LEU 112 Ca -0.33 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1vsm n LEU 112 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 1vsm n LEU 112 CO 0.37 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1vsm n GLY 113 N 1.29 0.00 3.71 -0.72 0.00 0.14 -4.93 105.19 104.69 1vsm n GLY 113 Ca 0.01 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 1vsm n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vsm s ARG 114 N -2.10 4.47 0.63 1.61 3.52 -1.26 -4.41 118.95 121.41 1vsm s ARG 114 Ca 0.00 1.69 0.02 0.00 -0.13 0.00 0.00 55.73 57.31 1vsm s ARG 114 Cb 0.00 -3.37 0.09 0.00 -1.56 0.00 0.00 34.95 30.11 1vsm s ARG 114 CO 0.00 -0.20 0.88 -1.25 -0.81 0.00 0.00 175.30 173.92 1vsm s PRO 115 N 0.98 2.09 0.01 5.12 0.04 -1.26 -5.02 135.00 136.96 1vsm s PRO 115 Ca 0.57 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.50 1vsm s PRO 115 Cb -0.28 -2.45 -0.26 0.00 0.04 0.00 0.00 34.50 31.55 1vsm s PRO 115 CO 0.29 -1.08 0.88 0.87 0.04 0.00 0.00 177.00 178.00 1vsm h LYS 116 N -0.18 0.18 -2.99 4.56 1.79 -1.41 -3.44 116.57 115.08 1vsm h LYS 116 Ca -0.37 -0.31 -0.10 0.00 -2.18 0.00 0.00 60.65 57.69 1vsm h LYS 116 Cb 1.28 0.12 -0.18 0.00 -1.58 0.00 0.00 32.23 31.86 1vsm h LYS 116 CO 0.44 1.02 -0.18 0.00 -1.08 0.00 0.00 179.45 179.65 1vsm s ALA 117 N -2.63 -0.91 -0.11 3.86 0.00 -1.21 -0.89 121.76 119.87 1vsm s ALA 117 Ca -0.07 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1vsm s ALA 117 Cb 0.07 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.41 1vsm s ALA 117 CO 0.84 -0.35 -0.09 0.42 0.00 0.00 0.00 175.76 176.57 1vsm s ILE 118 N -1.88 1.13 -0.29 0.00 1.01 -0.64 -1.73 121.20 118.80 1vsm s ILE 118 Ca -0.09 -0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 1vsm s ILE 118 Cb -0.03 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 1vsm s ILE 118 CO 0.01 0.38 0.49 -0.54 0.00 0.00 0.00 174.94 175.29 1vsm s LYS 119 N 1.52 3.93 0.37 2.79 -0.14 0.18 -1.24 119.74 127.16 1vsm s LYS 119 Ca 0.02 0.14 0.05 0.00 -1.36 0.00 0.00 55.97 54.82 1vsm s LYS 119 Cb -0.13 -3.70 -0.03 0.00 -1.68 0.00 0.00 37.83 32.29 1vsm s LYS 119 CO -0.07 -0.43 0.20 0.95 -0.76 0.00 0.00 175.35 175.24 1vsm s THR 120 N 2.31 0.30 0.17 2.17 -4.23 -0.73 -1.54 115.64 114.09 1vsm s THR 120 Ca 0.20 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 1vsm s THR 120 Cb -0.16 -2.40 0.04 0.00 1.34 0.00 0.00 72.50 71.32 1vsm s THR 120 CO 0.11 0.00 0.24 -0.90 -0.54 0.00 0.00 174.62 173.52 1vsm n ASP 121 N -1.41 0.25 -0.92 3.99 5.75 -1.26 -0.77 116.55 122.18 1vsm n ASP 121 Ca 0.00 -1.23 0.04 0.00 -0.01 0.00 0.00 54.79 53.59 1vsm n ASP 121 Cb 0.64 -0.16 0.16 0.00 -1.03 0.00 0.00 41.12 40.73 1vsm n ASP 121 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1vsm n ASN 122 N -3.02 2.56 -4.58 -1.12 6.94 -0.26 -4.39 115.26 111.40 1vsm n ASN 122 Ca 0.04 -2.27 -0.45 0.00 -0.02 0.00 0.00 54.58 51.88 1vsm n ASN 122 Cb 0.13 -0.46 -0.02 0.00 -2.36 0.00 0.00 39.78 37.07 1vsm n ASN 122 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vsm n GLY 123 N 0.49 -0.26 0.32 4.83 0.00 -1.26 -4.74 105.19 104.57 1vsm n GLY 123 Ca 0.11 0.37 0.03 0.00 0.00 0.00 0.00 46.02 46.53 1vsm n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vsm h SER 124 N 2.24 0.59 0.31 1.61 4.64 -1.96 0.24 113.55 121.22 1vsm h SER 124 Ca -0.40 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1vsm h SER 124 Cb 1.34 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1vsm h SER 124 CO 0.62 0.43 0.00 0.00 -0.87 0.00 0.00 176.83 177.01 1vsm n PHE 126 N -2.72 0.00 0.46 0.00 3.72 0.75 -4.32 117.46 115.35 1vsm n PHE 126 Ca -0.01 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.44 1vsm n PHE 126 Cb 0.13 -0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 38.39 1vsm n PHE 126 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1vsm n THR 127 N -1.87 0.00 -1.02 4.37 -2.24 -0.68 -4.64 114.28 108.20 1vsm n THR 127 Ca -0.00 -0.33 -0.35 0.00 -2.27 0.00 0.00 64.05 61.10 1vsm n THR 127 Cb 0.44 1.06 0.09 0.00 -2.10 0.00 0.00 70.33 69.81 1vsm n THR 127 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1vsm n SER 128 N -0.75 -2.24 0.06 3.42 3.41 0.81 -4.76 113.62 113.57 1vsm n SER 128 Ca 0.03 0.42 -0.03 0.00 -0.26 0.00 0.00 58.87 59.03 1vsm n SER 128 Cb 0.18 -1.15 0.20 0.00 -0.26 0.00 0.00 64.21 63.19 1vsm n SER 128 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1vsm h LYS 129 N -0.98 0.34 0.47 4.33 3.11 -1.96 -2.29 116.57 119.59 1vsm h LYS 129 Ca -0.44 -0.15 -0.01 0.00 -2.81 0.00 0.00 60.65 57.23 1vsm h LYS 129 Cb 1.32 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.51 1vsm h LYS 129 CO 0.36 0.67 -0.50 1.03 -2.81 0.00 0.00 179.45 178.20 1vsm h SER 130 N 0.29 -1.38 -0.66 4.20 0.87 -1.97 0.46 113.55 115.35 1vsm h SER 130 Ca 0.03 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1vsm h SER 130 Cb 0.79 0.46 -0.03 0.00 -0.44 0.00 0.00 62.40 63.18 1vsm h SER 130 CO 0.06 -0.65 0.33 0.74 -0.53 0.00 0.00 176.83 176.79 1vsm h THR 131 N -0.98 1.22 -0.89 2.23 2.02 -1.82 -0.11 112.91 114.58 1vsm h THR 131 Ca -0.06 -0.59 0.09 0.00 0.77 0.00 0.00 66.41 66.62 1vsm h THR 131 Cb 0.85 0.40 -0.07 0.00 -1.74 0.00 0.00 68.15 67.59 1vsm h THR 131 CO -0.08 0.25 0.54 -0.09 0.37 0.00 0.00 175.52 176.51 1vsm h ARG 132 N 0.91 0.89 -0.24 6.66 2.43 -1.27 0.22 114.38 123.98 1vsm h ARG 132 Ca 0.23 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1vsm h ARG 132 Cb 0.09 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1vsm h ARG 132 CO -0.03 0.59 -0.06 1.49 -1.51 0.00 0.00 179.97 180.45 1vsm h GLU 133 N 0.91 0.47 -1.01 0.20 4.57 -0.08 -1.84 114.58 117.80 1vsm h GLU 133 Ca 0.42 -0.18 0.07 0.00 -1.18 0.00 0.00 59.36 58.49 1vsm h GLU 133 Cb 0.33 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.83 1vsm h GLU 133 CO -0.23 0.70 0.65 2.35 -1.18 0.00 0.00 179.01 181.30 1vsm h TRP 134 N 0.21 1.21 -0.21 0.92 7.01 0.09 0.46 115.95 125.64 1vsm h TRP 134 Ca 0.06 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 60.94 1vsm h TRP 134 Cb 0.52 -0.40 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1vsm h TRP 134 CO 0.05 0.62 -0.48 -0.07 -2.79 0.00 0.00 178.44 175.77 1vsm h LEU 135 N 1.18 0.78 -1.05 0.65 3.38 -0.89 -2.73 115.31 116.63 1vsm h LEU 135 Ca 0.44 -0.56 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1vsm h LEU 135 Cb 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1vsm h LEU 135 CO -0.18 1.20 0.08 0.00 0.09 0.00 0.00 178.44 179.63 1vsm h ALA 136 N 0.60 1.22 -0.45 1.53 0.00 -1.00 -0.17 119.26 121.00 1vsm h ALA 136 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1vsm h ALA 136 Cb 1.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1vsm h ALA 136 CO 0.11 0.53 0.22 -0.09 0.00 0.00 0.00 179.25 180.02 1vsm h ARG 137 N 0.73 0.62 0.00 0.00 2.43 -0.68 -2.02 114.38 115.46 1vsm h ARG 137 Ca 0.16 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1vsm h ARG 137 Cb 0.33 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1vsm h ARG 137 CO 0.00 0.48 -0.55 0.91 -1.51 0.00 0.00 179.97 179.30 1vsm n TRP 138 N -4.40 0.56 -2.53 2.20 7.02 -1.02 -5.01 117.44 114.27 1vsm n TRP 138 Ca 0.03 0.16 -0.09 0.00 -1.02 0.00 0.00 57.50 56.59 1vsm n TRP 138 Cb 0.11 -0.66 0.01 0.00 -2.42 0.00 0.00 31.31 28.35 1vsm n TRP 138 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vsm n GLY 139 N 1.34 0.20 3.44 6.99 0.00 -0.17 -5.01 105.19 111.98 1vsm n GLY 139 Ca 0.04 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 1vsm n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsm s ILE 140 N -2.75 4.29 0.71 -0.61 1.01 -0.60 -4.95 121.20 118.29 1vsm s ILE 140 Ca 0.11 -0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.41 1vsm s ILE 140 Cb -0.05 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.43 1vsm s ILE 140 CO 0.14 0.32 1.16 0.00 0.00 0.00 0.00 174.94 176.56 1vsm s ALA 141 N 1.61 2.22 -0.02 9.38 0.00 -0.07 -4.54 121.76 130.35 1vsm s ALA 141 Ca 0.06 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.76 1vsm s ALA 141 Cb -0.15 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1vsm s ALA 141 CO 0.04 -1.69 -0.05 -1.58 0.00 0.00 0.00 175.76 172.47 1vsm s HIS 142 N -2.18 0.58 -0.08 0.00 2.46 -1.26 -1.63 115.29 113.19 1vsm s HIS 142 Ca 0.71 -0.12 0.00 0.00 0.47 0.00 0.00 55.06 56.12 1vsm s HIS 142 Cb -0.25 -0.43 0.02 0.00 -0.13 0.00 0.00 32.58 31.79 1vsm s HIS 142 CO 0.45 -0.06 -0.06 -0.08 -2.47 0.00 0.00 174.74 172.51 1vsm s THR 143 N 0.20 0.78 0.86 0.89 -1.32 -0.37 -4.95 115.64 111.73 1vsm s THR 143 Ca -0.02 -0.20 -0.09 0.00 -1.21 0.00 0.00 61.69 60.17 1vsm s THR 143 Cb -0.06 -0.80 0.17 0.00 -1.51 0.00 0.00 72.50 70.30 1vsm s THR 143 CO -0.00 0.30 1.19 0.42 -2.21 0.00 0.00 174.62 174.32 1vsm s THR 144 N 1.32 2.05 0.20 5.08 -4.23 -1.26 -1.78 115.64 117.02 1vsm s THR 144 Ca -0.04 -0.25 -0.17 0.00 -1.18 0.00 0.00 61.69 60.04 1vsm s THR 144 Cb -0.14 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 70.97 1vsm s THR 144 CO -0.03 0.00 0.85 0.61 -0.54 0.00 0.00 174.62 175.51 1vsm n GLY 145 N -3.38 0.78 3.73 3.99 0.00 0.05 -4.81 105.19 105.56 1vsm n GLY 145 Ca 0.15 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1vsm n GLY 145 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vsm s ILE 146 N -2.15 4.70 -0.47 -0.61 1.10 -1.26 -1.11 121.20 121.40 1vsm s ILE 146 Ca 0.19 1.82 -0.05 0.00 -0.51 0.00 0.00 60.65 62.10 1vsm s ILE 146 Cb -0.03 -4.21 -0.16 0.00 0.15 0.00 0.00 42.46 38.22 1vsm s ILE 146 CO 0.06 0.31 1.03 -2.65 -2.11 0.00 0.00 174.94 171.58 1vsm n PRO 147 N 3.02 0.00 -0.03 3.50 -0.02 -1.26 0.09 135.00 140.31 1vsm n PRO 147 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1vsm n PRO 147 Cb 0.50 -0.49 0.00 0.00 -0.02 0.00 0.00 33.50 33.49 1vsm n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vsm n GLY 148 N 2.62 0.98 3.55 -1.23 0.00 -1.26 -5.02 105.19 104.84 1vsm n GLY 148 Ca 0.32 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 1vsm n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsm s ASN 149 N -2.02 5.30 0.31 1.61 2.20 0.11 -4.82 114.94 117.63 1vsm s ASN 149 Ca 0.00 0.32 0.04 0.00 -0.94 0.00 0.00 52.86 52.28 1vsm s ASN 149 Cb 0.00 -2.53 0.83 0.00 -2.00 0.00 0.00 41.25 37.55 1vsm s ASN 149 CO 0.00 -2.36 1.58 -1.28 -2.94 0.00 0.00 177.10 172.10 1vsm h SER 150 N 14.80 -0.34 -0.78 3.54 0.87 -1.92 0.45 113.55 130.18 1vsm h SER 150 Ca -0.26 0.27 0.14 0.00 -1.23 0.00 0.00 61.79 60.71 1vsm h SER 150 Cb 1.16 0.44 -0.14 0.00 -0.44 0.00 0.00 62.40 63.43 1vsm h SER 150 CO 1.22 -0.35 -0.26 1.67 -0.53 0.00 0.00 176.83 178.58 1vsm n GLN 151 N -5.44 -0.13 -2.71 2.24 7.27 -1.26 -3.02 117.38 114.33 1vsm n GLN 151 Ca 0.25 1.21 -0.05 0.00 0.07 0.00 0.00 57.00 58.47 1vsm n GLN 151 Cb 0.82 -1.80 0.08 0.00 2.41 0.00 0.00 30.24 31.76 1vsm n GLN 151 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1vsm n GLY 152 N -1.42 1.61 0.00 1.69 0.00 0.62 -4.84 105.19 102.84 1vsm n GLY 152 Ca 0.10 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1vsm n GLY 152 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vsm n GLN 153 N -0.65 0.00 0.03 1.61 1.13 0.13 -4.54 117.38 115.09 1vsm n GLN 153 Ca -0.01 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.93 1vsm n GLN 153 Cb 0.84 -0.12 -0.09 0.00 0.11 0.00 0.00 30.24 30.98 1vsm n GLN 153 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1vsm h ALA 154 N 0.00 -0.14 -0.59 -1.58 0.00 -1.64 -2.13 119.26 113.19 1vsm h ALA 154 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.77 1vsm h ALA 154 Cb 0.27 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 1vsm h ALA 154 CO 0.00 -0.27 -0.11 0.52 0.00 0.00 0.00 179.25 179.39 1vsm h MET 155 N -0.77 0.02 0.00 0.00 2.86 -1.94 -1.87 114.93 113.23 1vsm h MET 155 Ca -0.01 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1vsm h MET 155 Cb 0.56 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1vsm h MET 155 CO 0.02 0.01 -0.49 -0.24 1.06 0.00 0.00 176.91 177.28 1vsm h VAL 156 N 0.02 1.09 -0.33 -2.22 3.04 -1.89 -1.67 116.25 114.30 1vsm h VAL 156 Ca 0.29 -1.83 -0.16 0.00 -1.01 0.00 0.00 66.70 63.99 1vsm h VAL 156 Cb 0.45 2.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.79 1vsm h VAL 156 CO -0.58 0.48 -0.43 -0.33 -1.01 0.00 0.00 177.57 175.69 1vsm h GLU 157 N 0.00 0.85 -0.45 4.17 4.39 -1.06 -0.02 114.58 122.45 1vsm h GLU 157 Ca -0.00 -0.47 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 1vsm h GLU 157 Cb 1.03 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 1vsm h GLU 157 CO 0.06 1.11 0.18 -0.09 -1.16 0.00 0.00 179.01 179.11 1vsm h ARG 158 N 0.68 0.68 -0.58 2.33 9.65 -1.21 -2.84 114.38 123.08 1vsm h ARG 158 Ca 0.05 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.76 1vsm h ARG 158 Cb 1.01 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.45 1vsm h ARG 158 CO 0.10 0.62 0.17 0.00 2.80 0.00 0.00 179.97 183.66 1vsm h ALA 159 N 1.02 1.21 -0.60 2.80 0.00 -1.05 -1.80 119.26 120.83 1vsm h ALA 159 Ca 0.15 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1vsm h ALA 159 Cb 0.20 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1vsm h ALA 159 CO -0.01 0.55 0.25 -0.91 0.00 0.00 0.00 179.25 179.13 1vsm h ASN 160 N 0.86 0.28 -0.20 0.00 2.35 -0.77 -1.17 115.58 116.92 1vsm h ASN 160 Ca 0.19 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.96 1vsm h ASN 160 Cb 0.26 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1vsm h ASN 160 CO -0.01 0.17 -0.06 -0.09 -1.65 0.00 0.00 177.43 175.80 1vsm h ARG 161 N 0.45 0.40 -0.97 0.81 2.43 -1.29 -1.47 114.38 114.74 1vsm h ARG 161 Ca 0.30 -0.16 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 1vsm h ARG 161 Cb 0.33 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.79 1vsm h ARG 161 CO -0.27 0.66 0.62 -0.07 -1.51 0.00 0.00 179.97 179.39 1vsm h LEU 162 N 0.12 0.96 -0.23 3.80 3.38 -1.19 -1.32 115.31 120.83 1vsm h LEU 162 Ca 0.05 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 1vsm h LEU 162 Cb 0.51 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1vsm h LEU 162 CO 0.02 0.58 -0.60 0.25 0.09 0.00 0.00 178.44 178.78 1vsm h LEU 163 N 1.07 0.93 -0.47 1.67 5.85 -1.00 -1.89 115.31 121.48 1vsm h LEU 163 Ca 0.44 -0.57 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 1vsm h LEU 163 Cb 0.28 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1vsm h LEU 163 CO -0.21 1.33 -0.23 0.11 -0.34 0.00 0.00 178.44 179.11 1vsm h LYS 164 N 0.57 0.98 0.15 1.25 1.57 -1.02 -1.32 116.57 118.76 1vsm h LYS 164 Ca -0.01 -0.43 0.01 0.00 -1.87 0.00 0.00 60.65 58.35 1vsm h LYS 164 Cb 1.22 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1vsm h LYS 164 CO 0.13 1.10 -0.24 -0.44 -0.57 0.00 0.00 179.45 179.43 1vsm h ASP 165 N 0.83 -0.67 -0.80 0.86 3.32 -1.18 -1.23 116.42 117.56 1vsm h ASP 165 Ca 0.10 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.30 1vsm h ASP 165 Cb 0.81 0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.54 1vsm h ASP 165 CO 0.07 -0.34 0.47 0.11 -1.72 0.00 0.00 179.24 177.83 1vsm h LYS 166 N -0.46 0.81 -0.83 3.56 1.79 -1.18 -1.09 116.57 119.16 1vsm h LYS 166 Ca 0.02 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1vsm h LYS 166 Cb 0.47 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.90 1vsm h LYS 166 CO -0.11 0.54 0.44 0.82 -1.08 0.00 0.00 179.45 180.06 1vsm h ILE 167 N 0.84 1.25 0.31 1.86 2.04 -0.74 -1.21 117.51 121.85 1vsm h ILE 167 Ca 0.36 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1vsm h ILE 167 Cb 0.23 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1vsm h ILE 167 CO -0.20 0.28 -0.15 -0.09 0.00 0.00 0.00 178.15 178.00 1vsm h ARG 168 N 1.17 -0.40 -0.54 2.37 2.43 -0.53 0.89 114.38 119.77 1vsm h ARG 168 Ca 0.29 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.58 1vsm h ARG 168 Cb 0.05 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 1vsm h ARG 168 CO -0.04 -0.11 0.12 0.28 -1.51 0.00 0.00 179.97 178.71 1vsm h VAL 169 N -0.68 0.70 -0.33 0.20 2.07 -1.19 -0.32 116.25 116.69 1vsm h VAL 169 Ca -0.04 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 1vsm h VAL 169 Cb 0.47 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1vsm h VAL 169 CO 0.07 0.05 -0.19 -0.07 0.02 0.00 0.00 177.57 177.45 1vsm h LEU 170 N 0.25 0.75 -0.29 2.57 3.38 -1.18 -1.95 115.31 118.85 1vsm h LEU 170 Ca 0.27 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1vsm h LEU 170 Cb 0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1vsm h LEU 170 CO -0.35 1.00 0.16 0.00 0.09 0.00 0.00 178.44 179.35 1vsm h ALA 171 N 0.77 0.37 -0.37 1.53 0.00 -0.53 -2.85 119.26 118.17 1vsm h ALA 171 Ca 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1vsm h ALA 171 Cb 0.74 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1vsm h ALA 171 CO 0.05 -0.12 -0.07 0.93 0.00 0.00 0.00 179.25 180.05 1vsm h GLU 172 N 0.35 0.63 -0.76 0.00 5.08 -0.98 -1.30 114.58 117.60 1vsm h GLU 172 Ca 0.10 -0.17 0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1vsm h GLU 172 Cb 0.04 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1vsm h GLU 172 CO -0.02 0.70 0.50 0.78 -1.00 0.00 0.00 179.01 179.97 1vsm h GLY 173 N 0.94 0.96 -0.12 -3.84 0.00 -1.26 0.25 103.07 99.99 1vsm h GLY 173 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1vsm h GLY 173 CO 0.02 0.17 0.00 1.22 0.00 0.00 0.00 176.54 177.95 1vsm n ASP 174 N -4.50 0.81 0.00 0.19 8.00 -0.68 -4.92 116.55 115.45 1vsm n ASP 174 Ca 0.12 -1.58 0.00 0.00 0.71 0.00 0.00 54.79 54.04 1vsm n ASP 174 Cb 0.32 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1vsm n ASP 174 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vsm n GLY 175 N 0.94 0.53 3.16 0.44 0.00 0.87 -5.02 105.19 106.10 1vsm n GLY 175 Ca 0.14 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 1vsm n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vsm s PHE 176 N -2.00 3.52 0.10 1.61 0.08 -0.58 -4.94 117.98 115.77 1vsm s PHE 176 Ca 0.00 -2.23 -0.11 0.00 0.12 0.00 0.00 56.93 54.71 1vsm s PHE 176 Cb 0.00 -3.34 -0.15 0.00 -0.57 0.00 0.00 43.02 38.96 1vsm s PHE 176 CO 0.00 -0.98 1.29 0.52 -0.10 0.00 0.00 175.22 175.95 1vsm h MET 177 N 8.14 0.72 0.00 0.44 2.86 -1.91 -3.20 114.93 121.98 1vsm h MET 177 Ca -0.15 -0.64 0.00 0.00 -2.06 0.00 0.00 59.70 56.85 1vsm h MET 177 Cb 1.05 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1vsm h MET 177 CO 0.76 1.24 0.00 1.63 1.06 0.00 0.00 176.91 181.61 1vsm n LYS 178 N -3.89 0.79 -1.64 1.72 4.76 -1.26 -5.00 118.16 113.63 1vsm n LYS 178 Ca -0.08 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.96 1vsm n LYS 178 Cb 0.79 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 34.00 1vsm n LYS 178 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1vsm n ARG 179 N 0.00 1.38 -3.32 1.97 0.63 -1.26 -4.83 116.66 111.23 1vsm n ARG 179 Ca 0.00 0.50 -0.38 0.00 -0.92 0.00 0.00 57.85 57.05 1vsm n ARG 179 Cb 0.00 -2.21 -0.06 0.00 0.45 0.00 0.00 32.46 30.64 1vsm n ARG 179 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1vsm s ILE 180 N -1.34 5.17 0.05 5.15 1.01 0.02 -4.94 121.20 126.32 1vsm s ILE 180 Ca 0.67 0.96 -0.36 0.00 0.00 0.00 0.00 60.65 61.92 1vsm s ILE 180 Cb -0.49 -3.82 -0.16 0.00 0.01 0.00 0.00 42.46 38.01 1vsm s ILE 180 CO 0.53 0.34 1.47 -2.65 0.00 0.00 0.00 174.94 174.63 1vsm n PRO 181 N 3.56 1.40 -0.32 2.79 -0.02 -1.26 -4.80 135.00 136.35 1vsm n PRO 181 Ca -0.07 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1vsm n PRO 181 Cb 0.52 -2.19 0.27 0.00 -0.02 0.00 0.00 33.50 32.08 1vsm n PRO 181 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1vsm h THR 182 N 3.73 0.11 0.00 3.45 2.02 -1.95 0.94 112.91 121.21 1vsm h THR 182 Ca -0.47 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1vsm h THR 182 Cb 1.31 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1vsm h THR 182 CO 0.83 0.01 0.00 -1.54 0.37 0.00 0.00 175.52 175.19 1vsm n SER 183 N -5.43 0.00 0.00 4.18 3.41 -1.26 -1.99 113.62 112.53 1vsm n SER 183 Ca 0.22 0.48 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 1vsm n SER 183 Cb 0.71 -0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 64.05 1vsm n SER 183 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vsm n LYS 184 N -1.49 0.36 -0.21 4.33 4.76 0.31 -4.71 118.16 121.51 1vsm n LYS 184 Ca 0.03 -0.09 -0.08 0.00 -2.87 0.00 0.00 58.31 55.30 1vsm n LYS 184 Cb 0.13 -1.53 0.03 0.00 -1.84 0.00 0.00 35.03 31.82 1vsm n LYS 184 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1vsm h GLN 185 N 0.00 0.90 -0.18 1.97 4.20 -1.26 -2.47 115.11 118.26 1vsm h GLN 185 Ca 0.00 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1vsm h GLN 185 Cb 0.77 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1vsm h GLN 185 CO 0.00 0.78 0.06 0.78 -0.67 0.00 0.00 178.83 179.78 1vsm h GLY 186 N 0.83 0.30 1.60 3.46 0.00 -1.84 0.27 103.07 107.68 1vsm h GLY 186 Ca 0.20 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1vsm h GLY 186 CO -0.01 0.16 -0.16 0.83 0.00 0.00 0.00 176.54 177.36 1vsm h GLU 187 N 0.13 0.48 -0.27 4.80 5.08 -1.88 0.04 114.58 122.96 1vsm h GLU 187 Ca 0.06 -0.15 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 1vsm h GLU 187 Cb 0.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1vsm h GLU 187 CO -0.00 0.63 -0.51 1.25 -1.00 0.00 0.00 179.01 179.38 1vsm h LEU 188 N 0.44 0.93 -0.63 1.33 6.46 -1.24 0.14 115.31 122.73 1vsm h LEU 188 Ca 0.08 -0.53 -0.10 0.00 -0.12 0.00 0.00 57.88 57.20 1vsm h LEU 188 Cb 0.54 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 1vsm h LEU 188 CO 0.03 1.29 -0.03 0.25 -0.62 0.00 0.00 178.44 179.36 1vsm h LEU 189 N 0.60 1.03 -1.20 2.25 5.85 -0.76 -0.90 115.31 122.19 1vsm h LEU 189 Ca 0.01 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 1vsm h LEU 189 Cb 1.12 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1vsm h LEU 189 CO 0.12 1.09 -0.18 0.00 -0.34 0.00 0.00 178.44 179.13 1vsm h ALA 190 N 1.00 1.33 -0.05 1.25 0.00 -0.73 -1.28 119.26 120.78 1vsm h ALA 190 Ca 0.16 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1vsm h ALA 190 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1vsm h ALA 190 CO 0.04 0.45 -0.82 -0.22 0.00 0.00 0.00 179.25 178.69 1vsm h LYS 191 N 0.30 0.46 -0.47 0.00 3.64 -0.63 -1.46 116.57 118.41 1vsm h LYS 191 Ca 0.05 -0.42 -0.08 0.00 -1.27 0.00 0.00 60.65 58.93 1vsm h LYS 191 Cb 0.50 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1vsm h LYS 191 CO 0.03 1.06 -0.05 0.00 -2.27 0.00 0.00 179.45 178.23 1vsm h ALA 192 N 0.81 1.03 0.25 5.00 0.00 -0.78 -0.67 119.26 124.90 1vsm h ALA 192 Ca -0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1vsm h ALA 192 Cb 1.43 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1vsm h ALA 192 CO 0.15 0.59 -0.12 1.98 0.00 0.00 0.00 179.25 181.85 1vsm h MET 193 N 0.75 -0.32 -0.61 0.00 1.85 -1.13 -2.16 114.93 113.30 1vsm h MET 193 Ca 0.14 0.02 0.11 0.00 -0.61 0.00 0.00 59.70 59.35 1vsm h MET 193 Cb 0.52 0.07 -0.12 0.00 0.43 0.00 0.00 31.60 32.51 1vsm h MET 193 CO 0.03 -0.07 -0.35 -0.92 -0.40 0.00 0.00 176.91 175.20 1vsm h TYR 194 N -0.55 -0.97 -0.39 1.39 3.20 -1.09 -1.85 116.97 116.71 1vsm h TYR 194 Ca -0.03 0.07 0.07 0.00 3.14 0.00 0.00 58.73 61.98 1vsm h TYR 194 Cb 0.40 0.51 -0.06 0.00 1.54 0.00 0.00 36.73 39.12 1vsm h TYR 194 CO -0.00 -0.39 -0.01 0.00 -1.64 0.00 0.00 178.16 176.12 1vsm h ALA 195 N 0.98 0.34 0.00 1.82 0.00 -1.03 0.69 119.26 122.06 1vsm h ALA 195 Ca 0.23 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1vsm h ALA 195 Cb 0.55 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1vsm h ALA 195 CO -0.70 -0.40 0.00 1.28 0.00 0.00 0.00 179.25 179.43 1vsm n LEU 196 N -5.21 0.32 -0.01 0.00 4.77 -0.82 -2.88 117.00 113.17 1vsm n LEU 196 Ca 0.02 0.55 -0.01 0.00 -0.03 0.00 0.00 56.01 56.54 1vsm n LEU 196 Cb 0.20 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1vsm n LEU 196 CO 0.19 -0.23 -0.11 0.59 -1.33 0.00 0.00 177.39 176.50 1vsm n ASN 197 N -1.82 0.47 -3.53 -1.43 3.02 -0.71 -4.71 115.26 106.55 1vsm n ASN 197 Ca 0.05 0.07 -0.40 0.00 -0.03 0.00 0.00 54.58 54.26 1vsm n ASN 197 Cb 0.29 -0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 39.10 1vsm n ASN 197 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1vsm n HIS 198 N -2.95 2.73 1.68 3.10 8.25 0.23 -5.08 115.22 123.18 1vsm n HIS 198 Ca -0.02 -2.92 0.15 0.00 -0.26 0.00 0.00 57.72 54.67 1vsm n HIS 198 Cb 0.08 -2.15 0.68 0.00 1.12 0.00 0.00 29.99 29.71 1vsm n HIS 198 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32