#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddm h GLN 68 N 0.00 0.19 0.00 1.57 4.20 -2.05 -2.03 115.11 116.98 1ddm h GLN 68 Ca 0.00 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1ddm h GLN 68 Cb 0.00 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1ddm h GLN 68 CO 0.00 0.19 -0.15 -1.49 -0.67 0.00 0.00 178.83 176.71 1ddm h TRP 69 N 0.14 0.00 0.00 2.96 4.06 -2.05 -2.29 115.95 118.77 1ddm h TRP 69 Ca 0.05 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.95 1ddm h TRP 69 Cb 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.20 1ddm h TRP 69 CO -0.05 0.15 -0.24 0.37 -3.56 0.00 0.00 178.44 175.10 1ddm h GLN 70 N 0.00 0.00 0.00 0.49 5.75 -1.84 -0.27 115.11 119.25 1ddm h GLN 70 Ca -0.00 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 1ddm h GLN 70 Cb 0.73 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.26 1ddm h GLN 70 CO 0.02 0.24 -1.61 0.00 -2.65 0.00 0.00 178.83 174.83 1ddm n ALA 71 N -2.30 2.29 0.10 3.38 0.00 -0.91 -4.05 120.51 119.02 1ddm n ALA 71 Ca -0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 53.44 52.84 1ddm n ALA 71 Cb 0.37 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 1ddm n ALA 71 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ddm h ASP 72 N 0.00 0.00 0.08 0.00 3.32 -1.06 -3.13 116.42 115.62 1ddm h ASP 72 Ca -0.12 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1ddm h ASP 72 Cb 1.35 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.90 1ddm h ASP 72 CO 0.02 0.76 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.90 1ddm h GLU 73 N 0.00 0.00 0.00 3.56 5.08 -1.19 -0.66 114.58 121.37 1ddm h GLU 73 Ca -0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1ddm h GLU 73 Cb 1.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1ddm h GLU 73 CO 0.10 0.06 -0.55 1.49 -1.00 0.00 0.00 179.01 179.12 1ddm h GLU 74 N 0.00 0.00 -0.19 2.33 4.22 -1.72 -3.30 114.58 115.91 1ddm h GLU 74 Ca -0.00 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.48 1ddm h GLU 74 Cb 0.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1ddm h GLU 74 CO 0.01 0.28 -0.05 0.00 -2.18 0.00 0.00 179.01 177.07 1ddm h ALA 75 N 1.68 0.13 -0.62 2.92 0.00 -1.10 -0.51 119.26 121.77 1ddm h ALA 75 Ca -0.02 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ddm h ALA 75 Cb 1.27 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1ddm h ALA 75 CO 0.04 -0.47 0.23 0.28 0.00 0.00 0.00 179.25 179.32 1ddm h VAL 76 N 0.00 1.24 -0.85 0.00 2.07 -1.66 -2.25 116.25 114.80 1ddm h VAL 76 Ca 0.09 -0.76 0.11 0.00 0.82 0.00 0.00 66.70 66.96 1ddm h VAL 76 Cb 0.14 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 1ddm h VAL 76 CO -0.20 0.30 0.55 0.03 0.02 0.00 0.00 177.57 178.27 1ddm h ARG 77 N 0.87 0.73 0.00 1.57 3.08 -1.49 -1.70 114.38 117.43 1ddm h ARG 77 Ca 0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1ddm h ARG 77 Cb 0.23 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1ddm h ARG 77 CO -0.01 0.48 0.00 0.43 -1.07 0.00 0.00 179.97 179.80 1ddm n SER 78 N -4.53 0.00 0.00 7.04 7.64 -0.25 -4.82 113.62 118.70 1ddm n SER 78 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1ddm n SER 78 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1ddm n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddm n ALA 79 N -3.00 0.00 -3.15 -0.43 0.00 -0.96 -4.75 120.51 108.23 1ddm n ALA 79 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ddm n ALA 79 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ddm n ALA 79 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ddm s THR 80 N 0.00 -0.29 -0.36 0.00 -1.32 -1.07 -4.51 115.64 108.09 1ddm s THR 80 Ca 0.00 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.61 1ddm s THR 80 Cb 0.00 -0.46 0.38 0.00 -1.51 0.00 0.00 72.50 70.92 1ddm s THR 80 CO 0.00 0.00 0.84 0.00 -2.21 0.00 0.00 174.62 173.25 1ddm n SER 82 N 0.16 0.00 -1.55 0.00 2.88 -1.25 -4.01 113.62 109.85 1ddm n SER 82 Ca 0.18 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.69 1ddm n SER 82 Cb 0.71 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 1ddm n SER 82 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1ddm n PHE 83 N 0.00 -1.13 -1.61 0.66 3.72 -0.99 -4.90 117.46 113.21 1ddm n PHE 83 Ca 0.00 -0.61 -0.39 0.00 -0.05 0.00 0.00 57.45 56.40 1ddm n PHE 83 Cb 0.00 0.23 0.03 0.00 -0.94 0.00 0.00 39.48 38.80 1ddm n PHE 83 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ddm n SER 84 N -1.49 1.01 -2.40 4.37 7.64 -1.26 -1.15 113.62 120.34 1ddm n SER 84 Ca -0.01 0.92 -0.11 0.00 1.01 0.00 0.00 58.87 60.68 1ddm n SER 84 Cb 0.17 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 61.97 1ddm n SER 84 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1ddm n VAL 85 N -1.09 0.00 -3.32 0.44 0.24 -0.83 -2.61 118.33 111.16 1ddm n VAL 85 Ca 0.11 -1.32 -0.24 0.00 -2.04 0.00 0.00 64.34 60.86 1ddm n VAL 85 Cb 0.43 0.77 -0.09 0.00 -1.47 0.00 0.00 33.84 33.48 1ddm n VAL 85 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ddm s LYS 86 N -2.63 0.87 -0.50 7.34 3.01 -0.51 -3.61 119.74 123.71 1ddm s LYS 86 Ca 0.21 -1.83 -0.26 0.00 -1.01 0.00 0.00 55.97 53.08 1ddm s LYS 86 Cb -0.00 -1.19 -0.06 0.00 -1.01 0.00 0.00 37.83 35.57 1ddm s LYS 86 CO 0.15 -1.35 2.34 -0.47 0.51 0.00 0.00 175.35 176.53 1ddm s TYR 87 N 0.34 1.14 0.06 3.18 5.04 -1.23 -3.07 117.35 122.81 1ddm s TYR 87 Ca 0.30 1.47 -0.22 0.00 -2.44 0.00 0.00 57.07 56.19 1ddm s TYR 87 Cb -0.00 -3.64 -0.13 0.00 0.35 0.00 0.00 41.96 38.54 1ddm s TYR 87 CO -0.15 -2.51 1.54 -0.07 -1.34 0.00 0.00 175.55 173.02 1ddm h LEU 88 N 19.24 0.18 0.00 6.97 3.38 -1.69 -2.88 115.31 140.51 1ddm h LEU 88 Ca -0.24 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1ddm h LEU 88 Cb 1.26 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1ddm h LEU 88 CO 1.17 0.38 0.00 0.61 0.09 0.00 0.00 178.44 180.68 1ddm n GLY 89 N -0.47 -0.28 3.01 0.83 0.00 -1.25 -3.38 105.19 103.65 1ddm n GLY 89 Ca -0.06 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1ddm n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddm s VAL 91 N 0.82 1.89 0.23 0.00 -7.23 -0.97 -5.02 120.40 110.13 1ddm s VAL 91 Ca -0.06 -2.10 -0.23 0.00 -1.81 0.00 0.00 61.98 57.77 1ddm s VAL 91 Cb -0.08 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.79 1ddm s VAL 91 CO -0.05 -0.43 0.80 -1.83 -0.31 0.00 0.00 175.10 173.29 1ddm s GLU 92 N -3.22 4.45 0.41 4.82 -1.05 -1.26 -2.21 118.70 120.64 1ddm s GLU 92 Ca 0.20 1.10 0.03 0.00 -0.15 0.00 0.00 54.97 56.15 1ddm s GLU 92 Cb -0.04 -2.99 -0.01 0.00 -0.44 0.00 0.00 34.13 30.65 1ddm s GLU 92 CO 0.08 0.42 0.11 1.33 0.95 0.00 0.00 175.26 178.15 1ddm n VAL 93 N 0.97 0.00 -2.98 1.83 0.24 -1.17 -4.90 118.33 112.33 1ddm n VAL 93 Ca -0.02 -2.25 -0.14 0.00 -2.04 0.00 0.00 64.34 59.89 1ddm n VAL 93 Cb 0.50 0.74 0.02 0.00 -1.47 0.00 0.00 33.84 33.63 1ddm n VAL 93 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1ddm n PHE 94 N -0.94 -1.12 0.10 6.34 -0.00 -1.26 -4.77 117.46 115.82 1ddm n PHE 94 Ca -0.08 -3.07 0.00 0.00 -0.00 0.00 0.00 57.45 54.30 1ddm n PHE 94 Cb 0.58 0.47 0.00 0.00 -0.00 0.00 0.00 39.48 40.53 1ddm n PHE 94 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1ddm n GLU 95 N 0.29 0.00 -3.85 -4.13 2.13 -1.26 -5.05 120.64 108.77 1ddm n GLU 95 Ca 0.16 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.70 1ddm n GLU 95 Cb 0.68 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.40 1ddm n GLU 95 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ddm n SER 96 N -3.01 -2.41 -3.34 4.31 3.41 -1.26 -4.97 113.62 106.34 1ddm n SER 96 Ca 0.00 -1.02 0.02 0.00 -0.26 0.00 0.00 58.87 57.61 1ddm n SER 96 Cb 0.00 -3.15 -0.02 0.00 -0.26 0.00 0.00 64.21 60.78 1ddm n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ddm s ARG 97 N -6.36 0.48 0.00 4.33 1.70 -1.26 -5.01 118.95 112.83 1ddm s ARG 97 Ca 0.21 1.01 0.00 0.00 -0.47 0.00 0.00 55.73 56.47 1ddm s ARG 97 Cb -0.08 0.58 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 1ddm s ARG 97 CO 0.88 -0.36 0.00 0.41 -1.08 0.00 0.00 175.30 175.15 1ddm n GLY 98 N 5.37 0.09 0.00 3.88 0.00 -1.26 -4.82 105.19 108.45 1ddm n GLY 98 Ca -0.06 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1ddm n GLY 98 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ddm n MET 99 N 0.00 3.42 0.00 1.61 0.00 -1.26 -4.76 117.12 116.13 1ddm n MET 99 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 57.70 57.78 1ddm n MET 99 Cb 0.00 -0.29 0.48 0.00 0.00 0.00 0.00 33.22 33.42 1ddm n MET 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1ddm n GLN 100 N 0.00 0.96 0.07 3.17 6.02 -1.26 -2.94 117.38 123.41 1ddm n GLN 100 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1ddm n GLN 100 Cb 0.00 -1.26 0.18 0.00 1.02 0.00 0.00 30.24 30.18 1ddm n GLN 100 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ddm h VAL 101 N 0.00 0.00 0.07 5.09 2.07 -1.88 -3.33 116.25 118.26 1ddm h VAL 101 Ca 0.00 -0.55 -0.31 0.00 0.82 0.00 0.00 66.70 66.65 1ddm h VAL 101 Cb 0.00 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1ddm h VAL 101 CO 0.00 0.00 -1.73 0.00 0.02 0.00 0.00 177.57 175.86 1ddm h GLU 103 N 0.04 0.00 0.03 0.00 4.22 -1.72 -1.93 114.58 115.22 1ddm h GLU 103 Ca -0.31 0.00 -0.34 0.00 0.08 0.00 0.00 59.36 58.79 1ddm h GLU 103 Cb 2.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.22 1ddm h GLU 103 CO 0.10 0.08 -1.90 0.39 -2.18 0.00 0.00 179.01 175.50 1ddm n GLU 104 N -3.36 0.63 -0.04 1.92 -0.58 -1.25 -3.85 120.64 114.11 1ddm n GLU 104 Ca -0.01 0.37 0.13 0.00 -0.42 0.00 0.00 57.16 57.24 1ddm n GLU 104 Cb 0.25 -1.65 0.55 0.00 -0.57 0.00 0.00 31.44 30.02 1ddm n GLU 104 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ddm h ALA 105 N -0.42 2.11 -0.40 0.62 0.00 -1.43 -0.65 119.26 119.11 1ddm h ALA 105 Ca -0.48 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 1ddm h ALA 105 Cb 1.63 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1ddm h ALA 105 CO -0.18 -0.24 -0.37 1.25 0.00 0.00 0.00 179.25 179.71 1ddm h LEU 106 N 0.30 1.01 -1.61 0.00 5.85 -1.52 -2.54 115.31 116.79 1ddm h LEU 106 Ca 0.25 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1ddm h LEU 106 Cb 0.61 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1ddm h LEU 106 CO -0.06 1.26 -0.17 0.50 -0.34 0.00 0.00 178.44 179.63 1ddm h LYS 107 N 0.78 0.00 -0.02 1.25 3.11 -1.25 -2.68 116.57 117.76 1ddm h LYS 107 Ca 0.07 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.80 1ddm h LYS 107 Cb 0.96 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.20 1ddm h LYS 107 CO 0.09 0.17 -0.40 0.28 -2.81 0.00 0.00 179.45 176.78 1ddm h VAL 108 N 0.00 1.47 -0.57 2.00 2.07 -1.09 -2.45 116.25 117.68 1ddm h VAL 108 Ca -0.00 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.59 1ddm h VAL 108 Cb 0.50 2.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 1ddm h VAL 108 CO 0.02 0.55 0.38 -0.07 0.02 0.00 0.00 177.57 178.47 1ddm h LEU 109 N -0.26 0.66 -0.28 2.57 3.38 -1.28 0.55 115.31 120.64 1ddm h LEU 109 Ca -0.04 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.71 1ddm h LEU 109 Cb 1.11 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1ddm h LEU 109 CO 0.08 0.48 -0.63 -0.09 0.09 0.00 0.00 178.44 178.37 1ddm h ARG 110 N 0.78 0.79 0.00 1.13 2.43 -1.52 -2.95 114.38 115.04 1ddm h ARG 110 Ca 0.21 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1ddm h ARG 110 Cb -0.08 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1ddm h ARG 110 CO -0.04 1.18 0.00 1.04 -1.51 0.00 0.00 179.97 180.63 1ddm n GLN 111 N -3.97 0.10 -1.98 0.20 6.02 -0.85 -4.82 117.38 112.09 1ddm n GLN 111 Ca -0.05 0.16 -0.10 0.00 -0.01 0.00 0.00 57.00 56.99 1ddm n GLN 111 Cb 0.67 -1.63 0.04 0.00 1.02 0.00 0.00 30.24 30.33 1ddm n GLN 111 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ddm n SER 112 N -1.81 1.05 -0.75 1.08 7.64 0.13 -4.99 113.62 115.96 1ddm n SER 112 Ca 0.05 -1.77 0.04 0.00 1.01 0.00 0.00 58.87 58.20 1ddm n SER 112 Cb 0.32 -0.23 0.14 0.00 -1.01 0.00 0.00 64.21 63.43 1ddm n SER 112 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ddm n ARG 113 N -1.68 2.04 -1.63 1.43 1.74 -1.26 -4.87 116.66 112.42 1ddm n ARG 113 Ca 0.08 -1.11 -0.39 0.00 -0.77 0.00 0.00 57.85 55.67 1ddm n ARG 113 Cb 0.31 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 1ddm n ARG 113 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ddm s ARG 114 N -1.65 2.48 -0.11 5.56 1.81 -1.24 -4.92 118.95 120.88 1ddm s ARG 114 Ca 0.20 1.51 -0.30 0.00 -1.72 0.00 0.00 55.73 55.43 1ddm s ARG 114 Cb 0.13 -4.49 -0.02 0.00 -0.45 0.00 0.00 34.95 30.11 1ddm s ARG 114 CO 0.10 -2.85 1.19 -0.98 -0.68 0.00 0.00 175.30 172.08 1ddm s ARG 115 N 7.52 4.32 0.96 3.54 1.70 -1.22 -4.80 118.95 130.97 1ddm s ARG 115 Ca 0.95 1.62 -0.14 0.00 -0.47 0.00 0.00 55.73 57.69 1ddm s ARG 115 Cb -0.21 -3.62 0.17 0.00 -0.57 0.00 0.00 34.95 30.71 1ddm s ARG 115 CO 0.28 -0.52 1.17 -1.25 -1.08 0.00 0.00 175.30 173.90 1ddm s PRO 116 N 2.65 0.75 -0.01 3.89 0.04 -1.26 -4.50 135.00 136.57 1ddm s PRO 116 Ca 0.54 0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.69 1ddm s PRO 116 Cb -0.22 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1ddm s PRO 116 CO 0.18 -2.42 -0.12 0.08 0.04 0.00 0.00 177.00 174.76 1ddm s VAL 117 N -3.39 0.98 -1.27 -0.36 1.01 -1.09 -4.87 120.40 111.42 1ddm s VAL 117 Ca 0.67 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 1ddm s VAL 117 Cb -0.11 -0.82 0.16 0.00 0.00 0.00 0.00 36.38 35.61 1ddm s VAL 117 CO 0.53 0.26 1.76 0.54 0.00 0.00 0.00 175.10 178.20 1ddm n ARG 118 N 2.74 3.54 -4.36 2.72 1.74 -1.26 -3.52 116.66 118.26 1ddm n ARG 118 Ca -0.14 -3.59 -0.25 0.00 -0.77 0.00 0.00 57.85 53.09 1ddm n ARG 118 Cb 0.56 -2.97 -0.13 0.00 -1.02 0.00 0.00 32.46 28.90 1ddm n ARG 118 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ddm s GLY 119 N 1.46 1.29 -0.07 -0.13 0.00 -1.24 -1.96 107.32 106.67 1ddm s GLY 119 Ca 0.41 -1.27 -0.30 0.00 0.00 0.00 0.00 44.72 43.57 1ddm s GLY 119 CO 0.00 -1.25 0.99 -2.27 0.00 0.00 0.00 173.10 170.57 1ddm s LEU 120 N -1.83 4.28 0.02 0.66 1.98 0.43 -1.97 118.68 122.24 1ddm s LEU 120 Ca 0.08 1.56 -0.20 0.00 -2.89 0.00 0.00 54.13 52.69 1ddm s LEU 120 Cb -0.10 -3.55 -0.06 0.00 0.66 0.00 0.00 46.19 43.14 1ddm s LEU 120 CO 0.04 -0.39 0.56 -0.22 -1.89 0.00 0.00 176.35 174.46 1ddm s LEU 121 N 1.71 4.45 -0.40 -0.68 2.96 -0.30 -1.47 118.68 124.95 1ddm s LEU 121 Ca 0.49 1.16 0.02 0.00 -0.22 0.00 0.00 54.13 55.58 1ddm s LEU 121 Cb -0.19 -2.87 0.12 0.00 0.50 0.00 0.00 46.19 43.74 1ddm s LEU 121 CO 0.21 0.17 0.16 -1.00 -1.32 0.00 0.00 176.35 174.58 1ddm s HIS 122 N -0.53 2.47 -0.57 5.38 3.76 -0.81 -2.35 115.29 122.64 1ddm s HIS 122 Ca 0.29 -2.48 -0.26 0.00 -0.15 0.00 0.00 55.06 52.46 1ddm s HIS 122 Cb -0.18 -2.21 -0.08 0.00 1.11 0.00 0.00 32.58 31.21 1ddm s HIS 122 CO 0.17 -0.84 2.38 0.08 -0.85 0.00 0.00 174.74 175.68 1ddm s VAL 123 N 0.71 3.03 -0.13 -0.90 1.01 -1.26 -3.59 120.40 119.28 1ddm s VAL 123 Ca 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 1ddm s VAL 123 Cb -0.22 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1ddm s VAL 123 CO -0.08 -0.07 0.07 -0.94 0.00 0.00 0.00 175.10 174.07 1ddm s SER 124 N 11.66 5.76 0.00 3.32 1.04 -1.26 -1.28 113.70 132.94 1ddm s SER 124 Ca 0.94 0.24 0.00 0.00 0.48 0.00 0.00 55.95 57.61 1ddm s SER 124 Cb -0.16 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.14 1ddm s SER 124 CO 0.21 0.33 1.85 0.61 0.98 0.00 0.00 173.24 177.22 1ddm n GLY 125 N 2.50 2.35 0.16 7.32 0.00 -0.64 -2.66 105.19 114.22 1ddm n GLY 125 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ddm n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ddm n ASP 126 N 1.53 0.00 0.00 1.61 5.75 -1.26 -4.79 116.55 119.38 1ddm n ASP 126 Ca 0.00 -0.90 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 1ddm n ASP 126 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1ddm n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ddm n GLY 127 N 0.00 1.98 3.66 6.12 0.00 -1.09 -4.73 105.19 111.13 1ddm n GLY 127 Ca 0.00 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 1ddm n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ddm n LEU 128 N 0.00 2.90 -3.95 0.99 4.77 -1.25 -4.59 117.00 115.88 1ddm n LEU 128 Ca 0.00 1.18 -0.14 0.00 -0.03 0.00 0.00 56.01 57.02 1ddm n LEU 128 Cb 0.00 -1.41 -0.14 0.00 -2.33 0.00 0.00 43.42 39.55 1ddm n LEU 128 CO 0.00 -0.76 -0.39 -0.13 -1.33 0.00 0.00 177.39 174.78 1ddm s ARG 129 N -1.40 0.32 -0.37 3.23 0.52 -1.24 -3.85 118.95 116.16 1ddm s ARG 129 Ca 0.60 -0.25 -0.01 0.00 -0.52 0.00 0.00 55.73 55.54 1ddm s ARG 129 Cb -0.63 -0.25 0.09 0.00 0.52 0.00 0.00 34.95 34.68 1ddm s ARG 129 CO 0.58 0.06 0.12 0.08 0.02 0.00 0.00 175.30 176.17 1ddm s VAL 130 N -0.38 3.01 -0.35 3.52 1.01 -1.20 -1.92 120.40 124.09 1ddm s VAL 130 Ca -0.02 -1.96 -0.19 0.00 0.00 0.00 0.00 61.98 59.82 1ddm s VAL 130 Cb -0.03 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 1ddm s VAL 130 CO -0.00 -0.54 0.55 -0.69 0.00 0.00 0.00 175.10 174.42 1ddm s VAL 131 N 1.12 4.98 0.43 2.92 1.01 -0.54 -1.84 120.40 128.48 1ddm s VAL 131 Ca 0.06 0.42 -0.23 0.00 0.00 0.00 0.00 61.98 62.23 1ddm s VAL 131 Cb -0.21 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 1ddm s VAL 131 CO -0.04 -0.23 0.84 -0.67 0.00 0.00 0.00 175.10 174.99 1ddm n ASP 132 N 5.82 0.46 -0.72 3.32 -0.08 -1.26 -0.43 116.55 123.66 1ddm n ASP 132 Ca -0.04 0.98 0.10 0.00 -1.51 0.00 0.00 54.79 54.32 1ddm n ASP 132 Cb 0.49 -1.27 0.31 0.00 2.34 0.00 0.00 41.12 42.99 1ddm n ASP 132 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1ddm n ASP 133 N 0.70 2.15 0.00 1.67 -0.08 -0.83 -1.61 116.55 118.56 1ddm n ASP 133 Ca 0.11 -1.81 0.00 0.00 -1.51 0.00 0.00 54.79 51.57 1ddm n ASP 133 Cb 0.40 -0.16 0.00 0.00 2.34 0.00 0.00 41.12 43.70 1ddm n ASP 133 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1ddm n GLU 134 N 0.64 1.70 -0.01 -0.67 4.07 -1.26 -4.80 120.64 120.31 1ddm n GLU 134 Ca 0.17 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.34 1ddm n GLU 134 Cb 0.40 -0.79 -0.12 0.00 -0.06 0.00 0.00 31.44 30.86 1ddm n GLU 134 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1ddm n THR 135 N -1.57 0.00 -4.01 6.31 -1.04 -1.26 -5.00 114.28 107.71 1ddm n THR 135 Ca 0.00 -0.35 -0.33 0.00 -2.04 0.00 0.00 64.05 61.33 1ddm n THR 135 Cb 0.29 0.18 -0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1ddm n THR 135 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1ddm n LYS 136 N -2.02 -4.29 0.00 -2.82 4.76 -0.63 -4.93 118.16 108.23 1ddm n LYS 136 Ca -0.03 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 1ddm n LYS 136 Cb 0.41 -5.30 0.00 0.00 -1.84 0.00 0.00 35.03 28.30 1ddm n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ddm n GLY 137 N -1.51 0.48 3.16 0.72 0.00 -1.26 -4.80 105.19 101.97 1ddm n GLY 137 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1ddm n GLY 137 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ddm s LEU 138 N 0.00 -0.89 -0.22 0.99 2.96 -1.26 -4.40 118.68 115.86 1ddm s LEU 138 Ca 0.00 0.76 -0.16 0.00 -0.22 0.00 0.00 54.13 54.51 1ddm s LEU 138 Cb 0.00 1.59 -0.11 0.00 0.50 0.00 0.00 46.19 48.17 1ddm s LEU 138 CO 0.00 -0.26 -0.20 -0.38 -1.32 0.00 0.00 176.35 174.19 1ddm n ILE 139 N 5.40 1.51 -3.86 6.68 5.41 -0.77 -4.89 119.36 128.84 1ddm n ILE 139 Ca -0.05 -0.08 -0.36 0.00 1.00 0.00 0.00 62.75 63.25 1ddm n ILE 139 Cb 0.50 -2.11 -0.13 0.00 -0.71 0.00 0.00 39.64 37.19 1ddm n ILE 139 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1ddm s VAL 140 N -2.53 3.32 -0.31 1.39 1.01 -1.26 -4.95 120.40 117.06 1ddm s VAL 140 Ca -0.31 -1.14 0.10 0.00 0.00 0.00 0.00 61.98 60.64 1ddm s VAL 140 Cb 0.08 -2.82 0.66 0.00 0.00 0.00 0.00 36.38 34.30 1ddm s VAL 140 CO 0.46 -0.03 1.70 0.47 0.00 0.00 0.00 175.10 177.70 1ddm n ASP 141 N 4.72 4.12 -2.64 3.32 9.92 -1.26 -3.24 116.55 131.49 1ddm n ASP 141 Ca -0.14 -3.35 -0.02 0.00 -0.53 0.00 0.00 54.79 50.75 1ddm n ASP 141 Cb 0.45 -0.71 0.02 0.00 -0.64 0.00 0.00 41.12 40.24 1ddm n ASP 141 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ddm n GLN 142 N -0.52 -1.31 -3.86 -1.24 1.13 -1.25 -4.99 117.38 105.33 1ddm n GLN 142 Ca 0.39 -0.12 -0.10 0.00 -1.94 0.00 0.00 57.00 55.23 1ddm n GLN 142 Cb 1.29 -0.12 -0.09 0.00 0.11 0.00 0.00 30.24 31.44 1ddm n GLN 142 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1ddm s THR 143 N -1.13 0.11 0.08 5.09 2.01 -1.26 -3.91 115.64 116.63 1ddm s THR 143 Ca 0.05 -0.91 -0.16 0.00 0.31 0.00 0.00 61.69 60.98 1ddm s THR 143 Cb -0.01 -0.86 -0.11 0.00 0.01 0.00 0.00 72.50 71.54 1ddm s THR 143 CO 0.04 -0.50 1.39 0.40 -0.69 0.00 0.00 174.62 175.26 1ddm h ILE 144 N 3.57 1.32 0.00 1.82 2.04 -1.88 -2.02 117.51 122.36 1ddm h ILE 144 Ca -0.32 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.09 1ddm h ILE 144 Cb 1.19 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1ddm h ILE 144 CO 0.48 0.45 0.00 -1.84 0.00 0.00 0.00 178.15 177.24 1ddm n GLU 145 N -4.33 0.82 -0.10 2.37 0.28 -1.26 -3.38 120.64 115.04 1ddm n GLU 145 Ca -0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.74 1ddm n GLU 145 Cb 0.46 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.71 1ddm n GLU 145 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1ddm n LYS 146 N -1.05 0.65 -2.06 3.44 4.81 -1.04 -4.96 118.16 117.95 1ddm n LYS 146 Ca 0.20 0.24 -0.38 0.00 -0.87 0.00 0.00 58.31 57.50 1ddm n LYS 146 Cb 0.12 -1.58 0.01 0.00 0.02 0.00 0.00 35.03 33.60 1ddm n LYS 146 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1ddm s VAL 147 N -2.51 2.67 0.04 3.15 -7.23 -0.79 -4.92 120.40 110.82 1ddm s VAL 147 Ca -0.32 0.54 -0.19 0.00 -1.81 0.00 0.00 61.98 60.19 1ddm s VAL 147 Cb 0.09 -3.29 -0.09 0.00 0.56 0.00 0.00 36.38 33.65 1ddm s VAL 147 CO 0.61 0.03 1.29 -1.28 -0.31 0.00 0.00 175.10 175.44 1ddm h SER 148 N 2.12 -0.72 -3.95 4.85 0.87 -1.22 -3.47 113.55 112.01 1ddm h SER 148 Ca -0.50 0.06 -0.31 0.00 -1.23 0.00 0.00 61.79 59.81 1ddm h SER 148 Cb 1.26 0.24 -0.08 0.00 -0.44 0.00 0.00 62.40 63.38 1ddm h SER 148 CO 0.60 -0.36 -0.25 0.49 -0.53 0.00 0.00 176.83 176.79 1ddm n PHE 149 N -3.97 -0.99 -4.37 2.24 3.01 -1.25 -5.05 117.46 107.08 1ddm n PHE 149 Ca -0.07 -2.13 -0.23 0.00 1.01 0.00 0.00 57.45 56.04 1ddm n PHE 149 Cb 0.25 0.36 -0.11 0.00 -0.01 0.00 0.00 39.48 39.96 1ddm n PHE 149 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ddm s ALA 151 N -2.02 -2.78 0.00 0.00 0.00 -1.21 -4.79 121.76 110.96 1ddm s ALA 151 Ca 0.19 1.97 0.00 0.00 0.00 0.00 0.00 51.96 54.12 1ddm s ALA 151 Cb -0.06 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1ddm s ALA 151 CO 0.08 -0.58 0.00 -0.35 0.00 0.00 0.00 175.76 174.91 1ddm n PRO 152 N 3.82 0.00 -2.56 0.00 -0.04 -1.26 -2.02 135.00 132.94 1ddm n PRO 152 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1ddm n PRO 152 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.02 1ddm n PRO 152 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ddm n ASP 153 N 0.00 -0.52 0.00 3.54 5.75 -1.24 -4.01 116.55 120.06 1ddm n ASP 153 Ca 0.00 -1.18 0.00 0.00 -0.01 0.00 0.00 54.79 53.60 1ddm n ASP 153 Cb 0.00 0.82 0.00 0.00 -1.03 0.00 0.00 41.12 40.91 1ddm n ASP 153 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ddm n ARG 154 N -0.32 0.00 -2.41 0.11 1.74 -1.26 -4.99 116.66 109.53 1ddm n ARG 154 Ca 0.01 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1ddm n ARG 154 Cb 0.22 -0.35 -0.03 0.00 -1.02 0.00 0.00 32.46 31.29 1ddm n ARG 154 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ddm n ASN 155 N -0.21 -0.80 0.00 0.55 4.05 -1.26 -5.00 115.26 112.58 1ddm n ASN 155 Ca 0.00 -1.41 0.00 0.00 0.45 0.00 0.00 54.58 53.62 1ddm n ASN 155 Cb 0.00 0.79 0.00 0.00 1.23 0.00 0.00 39.78 41.80 1ddm n ASN 155 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 177.26 175.78 1ddm n HIS 156 N -0.40 0.00 -0.05 1.20 -0.00 -1.26 -4.90 115.22 109.81 1ddm n HIS 156 Ca -0.25 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 57.91 1ddm n HIS 156 Cb 0.59 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.31 1ddm n HIS 156 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1ddm n GLU 157 N -0.82 0.67 -1.47 1.57 -0.58 -1.26 -4.97 120.64 113.78 1ddm n GLU 157 Ca 0.00 -0.02 -0.16 0.00 -0.42 0.00 0.00 57.16 56.56 1ddm n GLU 157 Cb 0.00 -1.58 -0.07 0.00 -0.57 0.00 0.00 31.44 29.22 1ddm n GLU 157 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ddm n ARG 158 N -2.64 -1.54 -4.17 3.49 3.00 -1.26 -4.85 116.66 108.70 1ddm n ARG 158 Ca -0.20 1.06 -0.34 0.00 -0.01 0.00 0.00 57.85 58.36 1ddm n ARG 158 Cb 0.93 -5.43 -0.08 0.00 0.00 0.00 0.00 32.46 27.88 1ddm n ARG 158 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1ddm s GLY 159 N -2.56 1.97 0.41 -0.13 0.00 -1.26 -3.63 107.32 102.12 1ddm s GLY 159 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 44.72 43.94 1ddm s GLY 159 CO 0.00 -0.70 0.02 -1.36 0.00 0.00 0.00 173.10 171.07 1ddm s PHE 160 N -1.10 2.52 0.26 1.90 0.08 -0.91 -3.73 117.98 117.01 1ddm s PHE 160 Ca 0.20 -0.65 -0.20 0.00 0.12 0.00 0.00 56.93 56.40 1ddm s PHE 160 Cb -0.12 -1.78 0.06 0.00 -0.57 0.00 0.00 43.02 40.62 1ddm s PHE 160 CO 0.10 0.43 0.91 -1.54 -0.10 0.00 0.00 175.22 175.02 1ddm s SER 161 N -3.73 -0.04 -0.05 1.36 1.04 -0.85 -2.02 113.70 109.40 1ddm s SER 161 Ca 0.36 -0.80 -0.11 0.00 0.48 0.00 0.00 55.95 55.88 1ddm s SER 161 Cb 0.09 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.87 1ddm s SER 161 CO 0.18 -1.26 0.25 -0.72 0.98 0.00 0.00 173.24 172.67 1ddm s TYR 162 N -2.52 -0.18 0.13 5.02 -0.85 -0.79 -3.29 117.35 114.87 1ddm s TYR 162 Ca 0.17 0.37 0.05 0.00 -0.52 0.00 0.00 57.07 57.14 1ddm s TYR 162 Cb -0.04 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 1ddm s TYR 162 CO 0.07 -0.25 0.08 0.42 -1.52 0.00 0.00 175.55 174.34 1ddm s ILE 163 N -0.69 4.31 -0.14 -3.49 1.09 -1.25 -0.98 121.20 120.06 1ddm s ILE 163 Ca -0.08 -1.01 -0.07 0.00 -1.10 0.00 0.00 60.65 58.39 1ddm s ILE 163 Cb -0.04 -3.13 0.06 0.00 -1.06 0.00 0.00 42.46 38.28 1ddm s ILE 163 CO 0.02 0.00 0.33 0.00 -0.10 0.00 0.00 174.94 175.19 1ddm s ARG 165 N 1.62 3.31 1.90 0.00 1.70 -1.26 -1.94 118.95 124.28 1ddm s ARG 165 Ca -0.07 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.42 1ddm s ARG 165 Cb -0.10 -3.87 0.00 0.00 -0.57 0.00 0.00 34.95 30.41 1ddm s ARG 165 CO -0.11 -0.55 0.00 -0.25 -1.08 0.00 0.00 175.30 173.31 1ddm n ASP 166 N 5.13 -0.58 0.00 -2.89 9.92 0.30 -4.81 116.55 123.62 1ddm n ASP 166 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1ddm n ASP 166 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1ddm n ASP 166 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ddm n GLY 167 N 0.00 1.57 0.00 0.44 0.00 -1.26 -3.58 105.19 102.36 1ddm n GLY 167 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ddm n GLY 167 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ddm n THR 168 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -4.87 114.28 108.52 1ddm n THR 168 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ddm n THR 168 Cb 0.00 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1ddm n THR 168 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ddm n THR 169 N 0.00 0.00 -2.02 4.28 -2.24 -1.23 -5.01 114.28 108.06 1ddm n THR 169 Ca 0.00 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.52 1ddm n THR 169 Cb 0.39 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 69.01 1ddm n THR 169 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ddm n ARG 170 N -0.78 -1.61 0.00 -0.78 5.12 -1.26 -4.80 116.66 112.55 1ddm n ARG 170 Ca 0.00 1.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.96 1ddm n ARG 170 Cb 0.00 -5.56 0.00 0.00 -1.16 0.00 0.00 32.46 25.74 1ddm n ARG 170 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1ddm n ARG 171 N -2.66 -2.17 -2.39 5.56 1.85 -1.26 -4.80 116.66 110.79 1ddm n ARG 171 Ca -0.22 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.21 1ddm n ARG 171 Cb 0.66 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.04 1ddm n ARG 171 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1ddm s TRP 172 N -2.00 3.03 -0.21 2.89 0.51 -1.26 -0.54 118.94 121.37 1ddm s TRP 172 Ca 0.00 1.07 -0.09 0.00 -2.12 0.00 0.00 56.10 54.95 1ddm s TRP 172 Cb 0.00 -3.50 0.08 0.00 -0.81 0.00 0.00 33.47 29.24 1ddm s TRP 172 CO 0.00 -1.70 0.47 -1.64 -0.51 0.00 0.00 176.95 173.57 1ddm s MET 173 N 2.49 0.42 -0.07 4.98 -1.94 -0.82 -3.03 119.30 121.34 1ddm s MET 173 Ca 0.58 1.00 -0.01 0.00 -1.71 0.00 0.00 55.69 55.54 1ddm s MET 173 Cb -0.26 0.21 -0.03 0.00 2.01 0.00 0.00 34.83 36.75 1ddm s MET 173 CO 0.22 -0.20 0.01 0.00 -0.01 0.00 0.00 175.02 175.04 1ddm s HIS 175 N -0.94 3.26 0.17 0.00 3.76 -0.15 -2.28 115.29 119.12 1ddm s HIS 175 Ca 0.15 0.08 0.08 0.00 -0.15 0.00 0.00 55.06 55.22 1ddm s HIS 175 Cb -0.11 -2.08 -0.04 0.00 1.11 0.00 0.00 32.58 31.45 1ddm s HIS 175 CO 0.04 0.16 -0.05 0.20 -0.85 0.00 0.00 174.74 174.24 1ddm s GLY 176 N 0.37 1.73 -0.26 -2.22 0.00 -1.23 -1.88 107.32 103.84 1ddm s GLY 176 Ca 0.03 -1.41 -0.20 0.00 0.00 0.00 0.00 44.72 43.14 1ddm s GLY 176 CO 0.00 -1.43 0.66 -0.11 0.00 0.00 0.00 173.10 172.23 1ddm s PHE 177 N -1.70 -0.84 -0.07 1.90 -0.71 -0.86 -2.33 117.98 113.37 1ddm s PHE 177 Ca 0.26 1.88 -0.10 0.00 -1.04 0.00 0.00 56.93 57.93 1ddm s PHE 177 Cb -0.09 0.38 -0.05 0.00 -1.21 0.00 0.00 43.02 42.05 1ddm s PHE 177 CO 0.17 -0.41 0.26 -0.51 -1.34 0.00 0.00 175.22 173.38 1ddm s LEU 178 N 0.83 4.43 -0.30 -1.99 1.43 -1.17 -2.14 118.68 119.76 1ddm s LEU 178 Ca -0.04 0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 53.46 1ddm s LEU 178 Cb -0.05 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1ddm s LEU 178 CO -0.07 0.37 1.22 0.00 0.23 0.00 0.00 176.35 178.10 1ddm s ALA 179 N -1.03 3.42 0.62 4.21 0.00 -1.24 -1.42 121.76 126.32 1ddm s ALA 179 Ca 0.19 0.06 0.33 0.00 0.00 0.00 0.00 51.96 52.54 1ddm s ALA 179 Cb -0.14 -3.73 1.94 0.00 0.00 0.00 0.00 23.12 21.19 1ddm s ALA 179 CO 0.08 -1.65 2.24 0.00 0.00 0.00 0.00 175.76 176.43 1ddm h LYS 181 N 0.00 0.00 -5.55 0.00 1.79 -1.90 -3.50 116.57 107.41 1ddm h LYS 181 Ca 0.02 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 1ddm h LYS 181 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1ddm h LYS 181 CO -0.00 0.75 -0.77 -0.25 -1.08 0.00 0.00 179.45 178.10 1ddm n ASP 182 N -3.24 -7.45 0.00 0.86 8.00 -0.13 -4.95 116.55 109.63 1ddm n ASP 182 Ca -0.03 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.08 1ddm n ASP 182 Cb 0.90 -4.46 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 1ddm n ASP 182 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ddm n SER 183 N 0.06 0.00 -0.24 -2.24 2.88 -1.26 -5.03 113.62 107.79 1ddm n SER 183 Ca 0.05 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.56 1ddm n SER 183 Cb 0.40 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.85 1ddm n SER 183 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ddm n GLY 184 N -1.23 0.63 0.00 0.46 0.00 -1.26 -4.84 105.19 98.95 1ddm n GLY 184 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1ddm n GLY 184 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ddm n GLU 185 N -2.81 -0.18 -0.04 1.61 4.07 -1.26 -3.92 120.64 118.11 1ddm n GLU 185 Ca -0.03 -0.12 -0.00 0.00 -0.06 0.00 0.00 57.16 56.94 1ddm n GLU 185 Cb 0.12 -0.61 -0.15 0.00 -0.06 0.00 0.00 31.44 30.73 1ddm n GLU 185 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1ddm n ARG 186 N -0.01 0.67 0.01 5.31 5.12 -1.26 -4.40 116.66 122.10 1ddm n ARG 186 Ca 0.00 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1ddm n ARG 186 Cb 0.18 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1ddm n ARG 186 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ddm n LEU 187 N -2.58 0.09 -0.02 0.55 4.32 -1.26 -4.45 117.00 113.65 1ddm n LEU 187 Ca -0.18 0.02 -0.10 0.00 -0.02 0.00 0.00 56.01 55.74 1ddm n LEU 187 Cb 0.88 -0.02 -0.04 0.00 -1.62 0.00 0.00 43.42 42.62 1ddm n LEU 187 CO 0.44 -0.18 0.88 -1.28 -1.22 0.00 0.00 177.39 176.03 1ddm h SER 188 N 0.00 -0.01 0.09 -1.43 0.87 -1.86 -0.60 113.55 110.61 1ddm h SER 188 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ddm h SER 188 Cb 0.70 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1ddm h SER 188 CO 0.00 0.02 0.00 1.57 -0.53 0.00 0.00 176.83 177.89 1ddm n HIS 189 N -5.10 0.00 -0.10 2.24 -0.00 -1.25 -2.77 115.22 108.23 1ddm n HIS 189 Ca -0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.53 1ddm n HIS 189 Cb 0.07 -0.10 -0.09 0.00 -0.00 0.00 0.00 29.99 29.87 1ddm n HIS 189 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ddm n ALA 190 N -1.10 1.55 0.34 1.57 0.00 -0.49 -4.40 120.51 117.99 1ddm n ALA 190 Ca 0.10 -0.89 0.12 0.00 0.00 0.00 0.00 53.44 52.78 1ddm n ALA 190 Cb 0.07 0.03 0.54 0.00 0.00 0.00 0.00 19.45 20.10 1ddm n ALA 190 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1ddm h VAL 191 N -0.06 0.00 -0.74 0.00 3.04 -0.98 -2.89 116.25 114.62 1ddm h VAL 191 Ca -0.47 -0.21 -0.04 0.00 -1.01 0.00 0.00 66.70 64.97 1ddm h VAL 191 Cb 1.70 0.93 -0.03 0.00 -2.01 0.00 0.00 31.29 31.88 1ddm h VAL 191 CO -0.09 0.00 0.29 1.23 -1.01 0.00 0.00 177.57 177.99 1ddm h GLY 192 N 1.77 1.18 1.56 3.17 0.00 -1.74 -2.20 103.07 106.81 1ddm h GLY 192 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1ddm h GLY 192 CO 0.00 0.60 -0.25 0.00 0.00 0.00 0.00 176.54 176.88 1ddm h ALA 194 N 2.84 1.84 0.19 0.00 0.00 -1.43 -2.06 119.26 120.65 1ddm h ALA 194 Ca 0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 1ddm h ALA 194 Cb 0.58 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ddm h ALA 194 CO 0.00 0.00 -1.43 0.74 0.00 0.00 0.00 179.25 178.57 1ddm h PHE 195 N 0.00 0.74 -0.08 0.00 0.04 -1.67 -3.27 116.94 112.71 1ddm h PHE 195 Ca -0.00 -0.54 0.02 0.00 2.80 0.00 0.00 57.97 60.25 1ddm h PHE 195 Cb 0.01 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 1ddm h PHE 195 CO 0.00 1.46 0.22 0.00 -0.60 0.00 0.00 178.31 179.39 1ddm h ALA 196 N 0.34 1.42 -0.03 2.45 0.00 -1.56 0.15 119.26 122.04 1ddm h ALA 196 Ca -0.22 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1ddm h ALA 196 Cb 2.08 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.89 1ddm h ALA 196 CO 0.23 -0.26 -0.78 0.28 0.00 0.00 0.00 179.25 178.73 1ddm h VAL 197 N 0.00 1.35 0.00 0.00 2.07 -1.59 -2.03 116.25 116.05 1ddm h VAL 197 Ca 0.04 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1ddm h VAL 197 Cb 0.48 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1ddm h VAL 197 CO -0.00 0.63 0.00 0.00 0.02 0.00 0.00 177.57 178.22 1ddm h LEU 199 N 0.00 0.00 -1.86 0.00 3.38 -1.02 -3.28 115.31 112.52 1ddm h LEU 199 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ddm h LEU 199 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ddm h LEU 199 CO 0.00 0.62 0.00 -0.33 0.09 0.00 0.00 178.44 178.82 1ddm h GLU 200 N 0.00 0.00 -0.02 1.13 5.08 -1.30 -3.50 114.58 115.97 1ddm h GLU 200 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1ddm h GLU 200 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1ddm h GLU 200 CO 0.06 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.94