#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddm n GLN 68 N 0.00 0.00 0.03 -0.41 7.27 -1.26 -4.40 117.38 118.61 1ddm n GLN 68 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.14 1ddm n GLN 68 Cb 0.00 0.00 0.31 0.00 2.41 0.00 0.00 30.24 32.96 1ddm n GLN 68 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 1ddm n TRP 69 N 0.00 0.17 1.37 3.69 8.01 -1.26 -1.27 117.44 128.15 1ddm n TRP 69 Ca 0.00 0.07 0.13 0.00 -1.31 0.00 0.00 57.50 56.39 1ddm n TRP 69 Cb 0.00 -0.61 0.71 0.00 -2.01 0.00 0.00 31.31 29.40 1ddm n TRP 69 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 1ddm n GLN 70 N -1.66 0.47 -0.01 -0.99 1.13 -1.26 -1.79 117.38 113.28 1ddm n GLN 70 Ca 0.03 0.02 -0.01 0.00 -1.94 0.00 0.00 57.00 55.10 1ddm n GLN 70 Cb 0.15 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 1ddm n GLN 70 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddm n ALA 71 N -1.23 1.97 0.18 -1.58 0.00 -0.39 -4.67 120.51 114.79 1ddm n ALA 71 Ca 0.14 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1ddm n ALA 71 Cb 0.19 0.26 0.11 0.00 0.00 0.00 0.00 19.45 20.02 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 0.18 0.00 3.32 -1.48 -2.99 116.42 115.45 1ddm h ASP 72 Ca -0.03 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1ddm h ASP 72 Cb 1.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1ddm h ASP 72 CO 0.00 0.00 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.27 1ddm h GLU 73 N 0.00 0.00 0.00 3.56 4.81 -1.62 -2.57 114.58 118.76 1ddm h GLU 73 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ddm h GLU 73 Cb 1.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1ddm h GLU 73 CO 0.00 0.18 -1.70 0.39 -0.73 0.00 0.00 179.01 177.15 1ddm n GLU 74 N -4.33 0.52 0.12 1.92 1.02 -1.24 -4.31 120.64 114.35 1ddm n GLU 74 Ca -0.02 -0.14 -0.13 0.00 -0.02 0.00 0.00 57.16 56.85 1ddm n GLU 74 Cb 0.24 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.10 1ddm n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ddm h ALA 75 N 2.21 -0.30 -0.32 0.62 0.00 -1.30 -2.56 119.26 117.61 1ddm h ALA 75 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1ddm h ALA 75 Cb 0.84 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1ddm h ALA 75 CO 0.00 -0.69 -0.16 0.28 0.00 0.00 0.00 179.25 178.68 1ddm h VAL 76 N -0.33 1.25 -0.19 0.00 2.07 -1.72 -1.50 116.25 115.83 1ddm h VAL 76 Ca 0.00 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.44 1ddm h VAL 76 Cb 0.31 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1ddm h VAL 76 CO -0.04 0.37 0.27 0.03 0.02 0.00 0.00 177.57 178.23 1ddm h ARG 77 N 0.52 0.00 0.00 1.57 3.08 -1.66 -1.77 114.38 116.13 1ddm h ARG 77 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ddm h ARG 77 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1ddm h ARG 77 CO 0.04 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.37 1ddm n SER 78 N -3.53 0.00 -2.50 7.04 7.64 -0.61 -4.81 113.62 116.85 1ddm n SER 78 Ca 0.02 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.87 1ddm n SER 78 Cb 0.39 0.00 -0.01 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 -2.06 -2.73 -0.43 0.00 -0.94 -4.29 120.51 107.06 1ddm n ALA 79 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1ddm n ALA 79 Cb 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 0.03 -0.20 0.00 0.00 -1.32 -1.14 -4.59 115.64 108.43 1ddm s THR 80 Ca 0.04 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1ddm s THR 80 Cb 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 72.50 71.06 1ddm s THR 80 CO -0.02 0.00 0.68 0.00 -2.21 0.00 0.00 174.62 173.07 1ddm n SER 82 N -0.20 0.83 -1.31 0.00 7.64 -1.24 -4.69 113.62 114.65 1ddm n SER 82 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1ddm n SER 82 Cb 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1ddm n SER 82 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ddm n PHE 83 N 0.00 -0.94 -1.51 1.43 3.72 -0.99 -4.84 117.46 114.32 1ddm n PHE 83 Ca 0.00 -0.35 -0.37 0.00 -0.05 0.00 0.00 57.45 56.68 1ddm n PHE 83 Cb 0.00 0.13 0.05 0.00 -0.94 0.00 0.00 39.48 38.72 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 -1.52 -0.05 -0.84 4.37 7.64 -1.26 -1.77 113.62 120.19 1ddm n SER 84 Ca -0.01 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1ddm n SER 84 Cb 0.10 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 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 -1.91 0.00 -3.30 0.44 0.24 -0.18 -2.32 118.33 111.31 1ddm n VAL 85 Ca 0.13 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.19 1ddm n VAL 85 Cb 0.48 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.77 1ddm n VAL 85 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ddm s LYS 86 N -1.51 0.89 -0.70 7.34 2.20 0.28 -3.42 119.74 124.81 1ddm s LYS 86 Ca 0.00 -1.84 -0.26 0.00 -0.36 0.00 0.00 55.97 53.51 1ddm s LYS 86 Cb 0.00 -1.17 -0.10 0.00 -1.51 0.00 0.00 37.83 35.05 1ddm s LYS 86 CO 0.00 -1.36 2.30 -0.47 -0.36 0.00 0.00 175.35 175.46 1ddm s TYR 87 N 0.32 1.25 0.25 4.03 5.04 -0.37 -2.55 117.35 125.32 1ddm s TYR 87 Ca 0.31 1.59 -0.05 0.00 -2.44 0.00 0.00 57.07 56.47 1ddm s TYR 87 Cb 0.00 -3.61 0.31 0.00 0.35 0.00 0.00 41.96 39.01 1ddm s TYR 87 CO -0.15 -1.94 1.88 -0.07 -1.34 0.00 0.00 175.55 173.93 1ddm h LEU 88 N 20.56 0.97 0.00 6.97 4.07 -1.75 -1.32 115.31 144.80 1ddm h LEU 88 Ca -0.08 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1ddm h LEU 88 Cb 1.10 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.63 1ddm h LEU 88 CO 1.10 0.65 0.00 0.61 -1.08 0.00 0.00 178.44 179.72 1ddm n GLY 89 N -1.35 0.13 3.62 0.83 0.00 -1.23 -3.53 105.19 103.67 1ddm n GLY 89 Ca 0.12 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 0.12 0.87 0.01 0.00 -7.23 -0.44 -4.98 120.40 108.76 1ddm s VAL 91 Ca 0.01 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 1ddm s VAL 91 Cb -0.04 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 1ddm s VAL 91 CO -0.02 0.00 0.35 -1.83 -0.31 0.00 0.00 175.10 173.29 1ddm s GLU 92 N -3.86 3.75 0.17 4.82 -1.05 -1.26 -0.84 118.70 120.43 1ddm s GLU 92 Ca 0.32 0.18 0.03 0.00 -0.15 0.00 0.00 54.97 55.35 1ddm s GLU 92 Cb 0.06 -3.12 -0.05 0.00 -0.44 0.00 0.00 34.13 30.59 1ddm s GLU 92 CO 0.15 0.65 -0.02 0.14 0.95 0.00 0.00 175.26 177.13 1ddm s VAL 93 N -1.21 0.82 -0.60 1.83 -7.23 -1.17 -4.88 120.40 107.96 1ddm s VAL 93 Ca 0.26 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.49 1ddm s VAL 93 Cb -0.15 -2.09 0.29 0.00 0.56 0.00 0.00 36.38 35.00 1ddm s VAL 93 CO 0.14 -0.51 0.83 0.33 -0.31 0.00 0.00 175.10 175.58 1ddm n PHE 94 N -0.26 3.61 0.00 2.82 7.35 -1.26 -4.64 117.46 125.08 1ddm n PHE 94 Ca -0.07 -4.06 0.00 0.00 -0.76 0.00 0.00 57.45 52.56 1ddm n PHE 94 Cb 0.63 -0.52 0.00 0.00 0.35 0.00 0.00 39.48 39.94 1ddm n PHE 94 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1ddm n GLU 95 N 0.37 0.00 -2.06 -4.13 2.13 -1.26 -5.01 120.64 110.67 1ddm n GLU 95 Ca 0.30 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.92 1ddm n GLU 95 Cb 0.41 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.08 1ddm n GLU 95 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ddm n SER 96 N -1.67 -5.45 -3.19 4.31 7.64 -1.26 -4.88 113.62 109.11 1ddm n SER 96 Ca 0.00 0.21 -0.19 0.00 1.01 0.00 0.00 58.87 59.90 1ddm n SER 96 Cb 0.00 -4.66 -0.04 0.00 -1.01 0.00 0.00 64.21 58.50 1ddm n SER 96 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1ddm n ARG 97 N -2.71 0.94 0.00 1.43 -4.01 -1.26 -4.89 116.66 106.17 1ddm n ARG 97 Ca -0.22 -3.36 0.00 0.00 -1.04 0.00 0.00 57.85 53.23 1ddm n ARG 97 Cb 0.66 -1.62 0.00 0.00 -3.04 0.00 0.00 32.46 28.46 1ddm n ARG 97 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1ddm n GLY 98 N 0.48 1.01 0.10 2.89 0.00 -1.26 -5.01 105.19 103.40 1ddm n GLY 98 Ca 0.24 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 1ddm n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddm h MET 99 N 0.00 0.05 0.00 1.61 -0.00 -2.00 -3.15 114.93 111.44 1ddm h MET 99 Ca 0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 59.70 59.61 1ddm h MET 99 Cb 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 31.62 1ddm h MET 99 CO 0.00 0.90 -0.14 1.96 -0.00 0.00 0.00 176.91 179.63 1ddm h GLN 100 N 0.03 0.00 -0.44 -0.10 7.50 -1.99 -2.68 115.11 117.43 1ddm h GLN 100 Ca -0.02 0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.17 1ddm h GLN 100 Cb 1.55 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 29.05 1ddm h GLN 100 CO 0.12 0.14 0.29 0.28 -1.50 0.00 0.00 178.83 178.16 1ddm h VAL 101 N 0.00 1.01 0.18 -0.54 2.07 -1.94 0.10 116.25 117.13 1ddm h VAL 101 Ca -0.00 -0.15 -0.30 0.00 0.82 0.00 0.00 66.70 67.07 1ddm h VAL 101 Cb 0.56 0.54 0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1ddm h VAL 101 CO 0.02 0.08 -1.37 0.00 0.02 0.00 0.00 177.57 176.31 1ddm h GLU 103 N 0.10 0.53 0.04 0.00 4.22 -1.27 -1.41 114.58 116.79 1ddm h GLU 103 Ca -0.20 -0.14 -0.00 0.00 0.08 0.00 0.00 59.36 59.10 1ddm h GLU 103 Cb 2.06 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.25 1ddm h GLU 103 CO 0.23 0.62 -0.02 0.93 -2.18 0.00 0.00 179.01 178.59 1ddm h GLU 104 N 0.49 -0.06 -0.91 1.92 5.08 -0.90 -3.00 114.58 117.20 1ddm h GLU 104 Ca 0.09 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.59 1ddm h GLU 104 Cb 0.46 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 1ddm h GLU 104 CO 0.03 0.57 0.58 0.00 -1.00 0.00 0.00 179.01 179.19 1ddm h ALA 105 N -0.19 1.73 -0.42 3.43 0.00 -1.44 0.09 119.26 122.46 1ddm h ALA 105 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1ddm h ALA 105 Cb 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1ddm h ALA 105 CO 0.01 0.05 -0.09 1.25 0.00 0.00 0.00 179.25 180.46 1ddm h LEU 106 N 0.79 0.71 -0.14 0.00 5.85 -1.34 -1.80 115.31 119.39 1ddm h LEU 106 Ca 0.45 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1ddm h LEU 106 Cb 0.60 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1ddm h LEU 106 CO -0.21 0.84 -0.16 0.50 -0.34 0.00 0.00 178.44 179.07 1ddm h LYS 107 N 0.67 0.35 -0.78 1.25 1.63 -0.89 -3.02 116.57 115.79 1ddm h LYS 107 Ca 0.12 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1ddm h LYS 107 Cb 0.55 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.15 1ddm h LYS 107 CO 0.03 0.76 0.47 0.28 -3.45 0.00 0.00 179.45 177.54 1ddm h VAL 108 N -0.03 1.22 -0.18 2.00 2.07 -1.10 -1.71 116.25 118.52 1ddm h VAL 108 Ca 0.02 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1ddm h VAL 108 Cb 0.71 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1ddm h VAL 108 CO 0.04 0.23 0.04 -0.07 0.02 0.00 0.00 177.57 177.82 1ddm h LEU 109 N 1.07 0.22 -0.10 2.57 3.38 -1.30 0.13 115.31 121.29 1ddm h LEU 109 Ca 0.28 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 58.01 1ddm h LEU 109 Cb -0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ddm h LEU 109 CO -0.05 0.24 -1.01 -0.09 0.09 0.00 0.00 178.44 177.62 1ddm h ARG 110 N 0.25 0.18 0.00 1.13 9.65 -1.20 -3.18 114.38 121.21 1ddm h ARG 110 Ca 0.06 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 1ddm h ARG 110 Cb 0.11 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1ddm h ARG 110 CO -0.00 1.05 -0.14 1.96 2.80 0.00 0.00 179.97 185.63 1ddm h GLN 111 N 0.08 0.00 -6.27 0.20 4.20 -0.72 -3.46 115.11 109.13 1ddm h GLN 111 Ca -0.06 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.10 1ddm h GLN 111 Cb 1.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.47 1ddm h GLN 111 CO 0.15 0.00 -0.19 -1.12 -0.67 0.00 0.00 178.83 177.00 1ddm s SER 112 N -4.63 4.82 -0.70 1.46 0.01 0.38 -5.07 113.70 109.96 1ddm s SER 112 Ca 0.09 -1.10 0.04 0.00 1.31 0.00 0.00 55.95 56.29 1ddm s SER 112 Cb 0.12 0.46 0.30 0.00 0.21 0.00 0.00 66.02 67.10 1ddm s SER 112 CO 0.63 -1.27 1.01 -2.11 0.41 0.00 0.00 173.24 171.91 1ddm n ARG 113 N -2.03 3.31 -0.38 12.44 -4.01 -1.26 -4.83 116.66 119.89 1ddm n ARG 113 Ca 0.07 -4.74 0.02 0.00 -1.04 0.00 0.00 57.85 52.17 1ddm n ARG 113 Cb 0.63 -2.30 0.17 0.00 -3.04 0.00 0.00 32.46 27.92 1ddm n ARG 113 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1ddm n ARG 114 N 0.39 2.59 -2.77 2.89 5.12 -1.26 -4.96 116.66 118.67 1ddm n ARG 114 Ca 0.32 -1.31 -0.02 0.00 -1.93 0.00 0.00 57.85 54.90 1ddm n ARG 114 Cb 0.38 -1.81 -0.02 0.00 -1.16 0.00 0.00 32.46 29.85 1ddm n ARG 114 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ddm n ARG 115 N 0.25 -3.34 -2.72 5.56 1.74 -1.23 -4.28 116.66 112.63 1ddm n ARG 115 Ca 0.12 2.67 -0.42 0.00 -0.77 0.00 0.00 57.85 59.45 1ddm n ARG 115 Cb 0.66 -4.25 -0.03 0.00 -1.02 0.00 0.00 32.46 27.81 1ddm n ARG 115 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ddm s PRO 116 N -1.00 4.47 -0.03 5.56 0.04 -1.23 -4.50 135.00 138.31 1ddm s PRO 116 Ca -0.12 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.28 1ddm s PRO 116 Cb 0.01 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1ddm s PRO 116 CO 0.61 -0.20 0.05 0.08 0.04 0.00 0.00 177.00 177.59 1ddm s VAL 117 N 1.59 4.58 -0.57 -0.36 1.01 -0.50 -4.89 120.40 121.25 1ddm s VAL 117 Ca 0.49 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 1ddm s VAL 117 Cb -0.19 -3.04 0.14 0.00 0.00 0.00 0.00 36.38 33.29 1ddm s VAL 117 CO 0.21 0.43 0.50 -0.60 0.00 0.00 0.00 175.10 175.64 1ddm s ARG 118 N -1.48 2.92 0.19 2.72 3.52 -1.26 -1.24 118.95 124.32 1ddm s ARG 118 Ca 0.20 -1.90 0.04 0.00 -0.13 0.00 0.00 55.73 53.94 1ddm s ARG 118 Cb -0.12 -4.18 -0.05 0.00 -1.56 0.00 0.00 34.95 29.04 1ddm s ARG 118 CO 0.10 -1.27 -0.05 0.20 -0.81 0.00 0.00 175.30 173.47 1ddm s GLY 119 N 2.93 1.32 -0.17 8.12 0.00 -1.22 -2.07 107.32 116.22 1ddm s GLY 119 Ca 0.07 -1.63 -0.23 0.00 0.00 0.00 0.00 44.72 42.93 1ddm s GLY 119 CO -0.00 -1.62 0.71 -2.27 0.00 0.00 0.00 173.10 169.91 1ddm s LEU 120 N -3.23 4.17 -0.11 0.66 1.98 0.40 -1.01 118.68 121.54 1ddm s LEU 120 Ca 0.23 0.99 -0.12 0.00 -2.89 0.00 0.00 54.13 52.34 1ddm s LEU 120 Cb 0.04 -3.03 -0.05 0.00 0.66 0.00 0.00 46.19 43.81 1ddm s LEU 120 CO 0.05 -0.30 0.26 -0.22 -1.89 0.00 0.00 176.35 174.25 1ddm s LEU 121 N 1.88 4.34 -0.28 -0.68 2.96 -0.73 -1.42 118.68 124.76 1ddm s LEU 121 Ca 0.33 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 1ddm s LEU 121 Cb -0.16 -2.32 0.08 0.00 0.50 0.00 0.00 46.19 44.29 1ddm s LEU 121 CO 0.12 0.25 0.00 -1.00 -1.32 0.00 0.00 176.35 174.40 1ddm s HIS 122 N -0.35 2.62 -0.51 5.38 3.76 -0.97 -2.35 115.29 122.87 1ddm s HIS 122 Ca 0.17 -2.08 -0.27 0.00 -0.15 0.00 0.00 55.06 52.73 1ddm s HIS 122 Cb -0.13 -1.96 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 1ddm s HIS 122 CO 0.06 -0.84 1.75 0.08 -0.85 0.00 0.00 174.74 174.94 1ddm s VAL 123 N 1.31 3.48 -0.04 -0.90 1.01 -1.26 -3.69 120.40 120.31 1ddm s VAL 123 Ca 0.02 0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 1ddm s VAL 123 Cb -0.19 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1ddm s VAL 123 CO -0.11 -0.79 0.06 -0.94 0.00 0.00 0.00 175.10 173.33 1ddm s SER 124 N 6.76 5.60 0.00 3.32 1.04 -1.26 -2.99 113.70 126.17 1ddm s SER 124 Ca 0.68 0.17 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1ddm s SER 124 Cb -0.15 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.35 1ddm s SER 124 CO 0.26 0.32 0.73 0.61 0.98 0.00 0.00 173.24 176.13 1ddm n GLY 125 N 1.53 1.49 0.59 7.32 0.00 -0.66 -2.40 105.19 113.06 1ddm n GLY 125 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 1ddm n GLY 125 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ddm n ASP 126 N 0.57 -0.05 0.00 1.61 2.03 -1.26 -4.64 116.55 114.81 1ddm n ASP 126 Ca 0.00 -1.42 0.00 0.00 0.52 0.00 0.00 54.79 53.89 1ddm n ASP 126 Cb 0.36 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 1ddm n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ddm n GLY 127 N 0.02 4.01 3.63 0.27 0.00 -1.01 -4.81 105.19 107.31 1ddm n GLY 127 Ca -0.02 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 1ddm n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ddm s LEU 128 N 0.00 1.47 -0.30 0.99 1.02 -1.18 -4.03 118.68 116.64 1ddm s LEU 128 Ca 0.00 1.33 -0.12 0.00 0.02 0.00 0.00 54.13 55.36 1ddm s LEU 128 Cb 0.00 -3.46 0.17 0.00 0.02 0.00 0.00 46.19 42.92 1ddm s LEU 128 CO 0.00 -3.40 0.92 -0.60 0.02 0.00 0.00 176.35 173.29 1ddm s ARG 129 N -4.81 0.32 -0.36 1.70 3.52 -1.24 -4.11 118.95 113.97 1ddm s ARG 129 Ca 0.66 0.71 -0.08 0.00 -0.13 0.00 0.00 55.73 56.89 1ddm s ARG 129 Cb -0.20 0.41 0.04 0.00 -1.56 0.00 0.00 34.95 33.64 1ddm s ARG 129 CO 0.60 -0.22 0.15 0.08 -0.81 0.00 0.00 175.30 175.10 1ddm s VAL 130 N 2.69 4.03 -0.34 7.11 1.01 -0.67 -2.29 120.40 131.94 1ddm s VAL 130 Ca 0.01 -1.11 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 1ddm s VAL 130 Cb -0.09 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1ddm s VAL 130 CO -0.16 -0.24 0.26 -0.69 0.00 0.00 0.00 175.10 174.26 1ddm s VAL 131 N 1.44 5.27 0.43 2.92 1.01 -0.50 -2.38 120.40 128.59 1ddm s VAL 131 Ca -0.00 -0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 1ddm s VAL 131 Cb -0.20 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.34 1ddm s VAL 131 CO 0.04 -0.02 0.87 0.47 0.00 0.00 0.00 175.10 176.46 1ddm n ASP 132 N 5.15 0.59 -1.74 3.32 8.00 -1.26 -0.46 116.55 130.16 1ddm n ASP 132 Ca -0.12 0.99 0.08 0.00 0.71 0.00 0.00 54.79 56.45 1ddm n ASP 132 Cb 0.50 -1.28 0.38 0.00 -0.02 0.00 0.00 41.12 40.70 1ddm n ASP 132 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ddm n ASP 133 N 0.66 5.25 0.00 -2.24 -0.08 -0.88 -1.28 116.55 117.98 1ddm n ASP 133 Ca 0.10 -2.68 0.00 0.00 -1.51 0.00 0.00 54.79 50.71 1ddm n ASP 133 Cb 0.39 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 43.22 1ddm n ASP 133 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ddm n GLU 134 N 0.90 3.67 0.00 -0.67 1.02 -1.26 -4.82 120.64 119.48 1ddm n GLU 134 Ca 0.27 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1ddm n GLU 134 Cb 1.04 -0.37 0.00 0.00 -0.02 0.00 0.00 31.44 32.09 1ddm n GLU 134 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1ddm n THR 135 N -0.54 0.00 -2.05 2.62 5.66 -1.26 -5.01 114.28 113.71 1ddm n THR 135 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 1ddm n THR 135 Cb 0.01 0.47 -0.04 0.00 -1.55 0.00 0.00 70.33 69.22 1ddm n THR 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ddm n LYS 136 N 0.00 -1.64 0.00 1.09 4.76 -0.40 -4.96 118.16 117.01 1ddm n LYS 136 Ca 0.00 1.01 0.00 0.00 -2.87 0.00 0.00 58.31 56.45 1ddm n LYS 136 Cb 0.05 -5.53 0.00 0.00 -1.84 0.00 0.00 35.03 27.70 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 -0.71 -0.86 3.42 0.72 0.00 -1.26 -4.68 105.19 101.81 1ddm n GLY 137 Ca -0.21 -1.00 -0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.18 -0.12 0.99 2.96 -1.26 -4.06 118.68 116.02 1ddm s LEU 138 Ca 0.00 1.24 0.12 0.00 -0.22 0.00 0.00 54.13 55.27 1ddm s LEU 138 Cb 0.00 2.14 -0.17 0.00 0.50 0.00 0.00 46.19 48.66 1ddm s LEU 138 CO 0.00 -0.24 0.09 2.30 -1.32 0.00 0.00 176.35 177.18 1ddm n ILE 139 N 5.44 0.78 -3.71 6.68 -5.35 -1.00 -4.94 119.36 117.25 1ddm n ILE 139 Ca -0.08 -0.53 -0.23 0.00 -0.27 0.00 0.00 62.75 61.64 1ddm n ILE 139 Cb 0.50 -0.52 -0.17 0.00 -1.74 0.00 0.00 39.64 37.71 1ddm n ILE 139 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1ddm s VAL 140 N -2.43 0.19 -0.10 7.28 1.01 -1.25 -4.99 120.40 120.10 1ddm s VAL 140 Ca -0.06 0.05 0.18 0.00 0.00 0.00 0.00 61.98 62.15 1ddm s VAL 140 Cb 0.05 -0.52 0.42 0.00 0.00 0.00 0.00 36.38 36.33 1ddm s VAL 140 CO 0.56 0.07 1.19 -0.67 0.00 0.00 0.00 175.10 176.25 1ddm n ASP 141 N 5.20 1.35 -2.42 3.32 2.03 -1.26 -1.67 116.55 123.10 1ddm n ASP 141 Ca -0.06 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.30 1ddm n ASP 141 Cb 0.49 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1ddm n ASP 141 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ddm n GLN 142 N -0.31 -0.01 -4.56 -0.67 3.00 -1.26 -4.92 117.38 108.65 1ddm n GLN 142 Ca 0.12 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.86 1ddm n GLN 142 Cb 0.92 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 31.05 1ddm n GLN 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1ddm s THR 143 N -0.75 1.55 -0.06 5.09 2.01 -1.26 -3.13 115.64 119.10 1ddm s THR 143 Ca 0.00 -2.00 0.13 0.00 0.31 0.00 0.00 61.69 60.13 1ddm s THR 143 Cb 0.00 -2.83 -0.17 0.00 0.01 0.00 0.00 72.50 69.51 1ddm s THR 143 CO 0.00 0.00 0.86 0.40 -0.69 0.00 0.00 174.62 175.19 1ddm h ILE 144 N 1.88 0.84 -0.00 1.82 2.04 -1.91 -3.13 117.51 119.05 1ddm h ILE 144 Ca -0.42 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 62.92 1ddm h ILE 144 Cb 1.25 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1ddm h ILE 144 CO 0.75 0.48 -0.44 -1.84 0.00 0.00 0.00 178.15 177.10 1ddm n GLU 145 N -3.05 0.17 -0.03 2.37 -0.00 -1.26 -4.03 120.64 114.81 1ddm n GLU 145 Ca -0.11 -0.10 -0.20 0.00 -0.00 0.00 0.00 57.16 56.76 1ddm n GLU 145 Cb 0.94 -1.50 -0.13 0.00 -0.00 0.00 0.00 31.44 30.75 1ddm n GLU 145 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1ddm n LYS 146 N -1.33 0.73 -1.78 3.44 4.81 -1.25 -4.90 118.16 117.87 1ddm n LYS 146 Ca 0.07 0.23 -0.42 0.00 -0.87 0.00 0.00 58.31 57.32 1ddm n LYS 146 Cb 0.34 -1.66 -0.03 0.00 0.02 0.00 0.00 35.03 33.70 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 -2.55 2.60 0.13 3.15 -7.23 -1.18 -4.90 120.40 110.42 1ddm s VAL 147 Ca -0.25 0.18 -0.20 0.00 -1.81 0.00 0.00 61.98 59.90 1ddm s VAL 147 Cb 0.07 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 1ddm s VAL 147 CO 0.73 0.00 1.71 -1.28 -0.31 0.00 0.00 175.10 175.95 1ddm h SER 148 N 8.19 -0.16 -2.97 4.85 0.87 -1.22 -3.46 113.55 119.65 1ddm h SER 148 Ca -0.45 0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.05 1ddm h SER 148 Cb 1.21 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.25 1ddm h SER 148 CO 0.94 -0.05 -0.09 0.49 -0.53 0.00 0.00 176.83 177.58 1ddm n PHE 149 N -5.18 0.03 -2.34 2.24 3.01 -1.26 -4.95 117.46 109.02 1ddm n PHE 149 Ca -0.03 -0.53 -0.04 0.00 1.01 0.00 0.00 57.45 57.86 1ddm n PHE 149 Cb 0.12 -0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.62 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 0.06 3.18 0.00 0.00 0.00 -1.08 -4.81 121.76 119.12 1ddm s ALA 151 Ca 0.04 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1ddm s ALA 151 Cb 0.22 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1ddm s ALA 151 CO -0.06 -0.67 0.00 -0.35 0.00 0.00 0.00 175.76 174.68 1ddm n PRO 152 N 0.07 0.00 -0.54 0.00 -0.04 -1.26 -1.01 135.00 132.21 1ddm n PRO 152 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1ddm n PRO 152 Cb 0.45 -0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.01 0.00 -1.11 3.54 5.75 -1.25 -3.93 116.55 119.54 1ddm n ASP 153 Ca 0.00 -0.39 -0.03 0.00 -0.01 0.00 0.00 54.79 54.36 1ddm n ASP 153 Cb 0.00 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 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 0.00 1.25 -3.62 0.11 5.12 -1.26 -4.80 116.66 113.46 1ddm n ARG 154 Ca 0.00 -0.45 -0.22 0.00 -1.93 0.00 0.00 57.85 55.25 1ddm n ARG 154 Cb 0.00 -1.24 0.06 0.00 -1.16 0.00 0.00 32.46 30.12 1ddm n ARG 154 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1ddm n ASN 155 N 0.23 -3.36 0.00 0.55 4.05 -1.26 -4.73 115.26 110.74 1ddm n ASN 155 Ca 0.08 -0.68 0.00 0.00 0.45 0.00 0.00 54.58 54.44 1ddm n ASN 155 Cb 0.63 -4.64 0.00 0.00 1.23 0.00 0.00 39.78 37.00 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 -4.48 0.00 0.35 1.20 -0.00 -1.26 -4.92 115.22 106.11 1ddm n HIS 156 Ca -0.16 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.15 1ddm n HIS 156 Cb 0.62 0.00 0.42 0.00 -0.12 0.00 0.00 29.99 30.91 1ddm n HIS 156 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1ddm h GLU 157 N 0.00 0.00 -1.05 1.57 5.08 -1.94 -3.46 114.58 114.78 1ddm h GLU 157 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1ddm h GLU 157 Cb 0.00 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.12 1ddm h GLU 157 CO 0.00 0.00 -0.29 0.54 -1.00 0.00 0.00 179.01 178.26 1ddm n ARG 158 N -2.78 -1.45 -4.60 2.33 3.00 -1.26 -4.86 116.66 107.04 1ddm n ARG 158 Ca 0.03 0.96 -0.25 0.00 -0.01 0.00 0.00 57.85 58.58 1ddm n ARG 158 Cb 0.40 -5.26 -0.17 0.00 0.00 0.00 0.00 32.46 27.43 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 -2.38 0.85 0.40 -0.13 0.00 -1.26 -1.01 107.32 103.79 1ddm s GLY 159 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 44.72 44.32 1ddm s GLY 159 CO 0.00 0.12 0.46 -1.36 0.00 0.00 0.00 173.10 172.32 1ddm s PHE 160 N 0.70 2.83 0.07 1.90 0.08 -0.03 -3.81 117.98 119.71 1ddm s PHE 160 Ca -0.14 -0.40 -0.25 0.00 0.12 0.00 0.00 56.93 56.27 1ddm s PHE 160 Cb -0.16 -2.20 0.06 0.00 -0.57 0.00 0.00 43.02 40.15 1ddm s PHE 160 CO 0.03 -0.21 0.59 -1.12 -0.10 0.00 0.00 175.22 174.42 1ddm s SER 161 N -4.22 -0.55 0.14 1.36 0.01 -0.18 -1.46 113.70 108.80 1ddm s SER 161 Ca 0.50 0.25 0.04 0.00 1.31 0.00 0.00 55.95 58.05 1ddm s SER 161 Cb -0.07 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 1ddm s SER 161 CO 0.30 -0.79 -0.09 -0.72 0.41 0.00 0.00 173.24 172.35 1ddm s TYR 162 N -2.65 1.21 0.18 2.43 -0.85 -0.64 -2.64 117.35 114.38 1ddm s TYR 162 Ca -0.04 -0.79 0.10 0.00 -0.52 0.00 0.00 57.07 55.82 1ddm s TYR 162 Cb -0.01 -0.62 -0.04 0.00 0.38 0.00 0.00 41.96 41.67 1ddm s TYR 162 CO -0.03 0.04 -0.17 0.42 -1.52 0.00 0.00 175.55 174.29 1ddm s ILE 163 N -3.38 2.77 -0.29 -3.49 1.01 -1.26 -0.96 121.20 115.60 1ddm s ILE 163 Ca 0.16 -1.80 -0.08 0.00 0.00 0.00 0.00 60.65 58.93 1ddm s ILE 163 Cb 0.03 -2.34 0.14 0.00 0.01 0.00 0.00 42.46 40.30 1ddm s ILE 163 CO -0.00 -0.08 0.63 0.00 0.00 0.00 0.00 174.94 175.48 1ddm n ARG 165 N 5.44 2.33 -0.32 0.00 1.85 -1.26 -2.19 116.66 122.51 1ddm n ARG 165 Ca -0.10 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.53 1ddm n ARG 165 Cb 0.49 0.00 0.22 0.00 -1.05 0.00 0.00 32.46 32.12 1ddm n ARG 165 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1ddm n ASP 166 N 0.00 -3.61 0.00 2.89 5.75 -0.63 -4.52 116.55 116.43 1ddm n ASP 166 Ca 0.00 -0.65 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 1ddm n ASP 166 Cb 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.25 1ddm n ASP 166 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ddm n GLY 167 N -3.65 0.81 0.00 6.12 0.00 -1.26 -4.70 105.19 102.51 1ddm n GLY 167 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1ddm n GLY 167 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ddm n THR 168 N -0.91 0.00 0.00 2.61 5.66 -1.26 -4.94 114.28 115.44 1ddm n THR 168 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ddm n THR 168 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ddm n THR 168 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ddm n THR 169 N 0.00 0.00 -1.75 1.09 -1.04 -1.26 -5.01 114.28 106.31 1ddm n THR 169 Ca 0.00 -0.12 -0.19 0.00 -2.04 0.00 0.00 64.05 61.70 1ddm n THR 169 Cb 0.05 0.78 -0.06 0.00 -1.82 0.00 0.00 70.33 69.29 1ddm n THR 169 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ddm n ARG 170 N -0.37 -1.34 -3.79 -2.82 1.74 -1.26 -4.88 116.66 103.93 1ddm n ARG 170 Ca 0.00 1.09 0.02 0.00 -0.77 0.00 0.00 57.85 58.19 1ddm n ARG 170 Cb 0.00 -5.44 0.01 0.00 -1.02 0.00 0.00 32.46 26.01 1ddm n ARG 170 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1ddm n ARG 171 N -2.54 0.22 -2.75 5.56 1.85 -1.26 -4.84 116.66 112.90 1ddm n ARG 171 Ca -0.20 -0.79 -0.42 0.00 -1.00 0.00 0.00 57.85 55.44 1ddm n ARG 171 Cb 0.63 1.26 -0.03 0.00 -1.05 0.00 0.00 32.46 33.26 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 -2.16 3.46 -0.06 2.89 0.51 -1.26 -1.60 118.94 120.71 1ddm s TRP 172 Ca 0.27 1.46 -0.02 0.00 -2.12 0.00 0.00 56.10 55.68 1ddm s TRP 172 Cb -0.01 -3.14 0.04 0.00 -0.81 0.00 0.00 33.47 29.55 1ddm s TRP 172 CO 0.00 -0.27 0.12 -1.64 -0.51 0.00 0.00 176.95 174.65 1ddm s MET 173 N 2.24 0.03 -0.13 4.98 -1.94 -0.93 -3.03 119.30 120.52 1ddm s MET 173 Ca 0.44 0.39 -0.05 0.00 -1.71 0.00 0.00 55.69 54.76 1ddm s MET 173 Cb -0.17 -0.25 -0.04 0.00 2.01 0.00 0.00 34.83 36.38 1ddm s MET 173 CO 0.14 -0.22 0.06 0.00 -0.01 0.00 0.00 175.02 174.99 1ddm s HIS 175 N -0.46 3.19 0.08 0.00 3.76 -0.13 -1.32 115.29 120.41 1ddm s HIS 175 Ca 0.10 0.14 0.03 0.00 -0.15 0.00 0.00 55.06 55.18 1ddm s HIS 175 Cb -0.12 -1.70 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 1ddm s HIS 175 CO 0.02 0.52 -0.09 0.20 -0.85 0.00 0.00 174.74 174.53 1ddm s GLY 176 N -1.74 0.76 -0.18 -2.22 0.00 -1.14 -1.63 107.32 101.17 1ddm s GLY 176 Ca 0.22 -1.12 -0.28 0.00 0.00 0.00 0.00 44.72 43.55 1ddm s GLY 176 CO 0.13 -1.19 0.76 -0.11 0.00 0.00 0.00 173.10 172.70 1ddm s PHE 177 N -2.36 -0.67 0.29 1.90 -0.71 -0.54 -2.43 117.98 113.47 1ddm s PHE 177 Ca 0.03 1.43 0.07 0.00 -1.04 0.00 0.00 56.93 57.42 1ddm s PHE 177 Cb -0.03 0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 42.10 1ddm s PHE 177 CO -0.01 -0.45 0.26 -0.51 -1.34 0.00 0.00 175.22 173.18 1ddm s LEU 178 N -0.36 3.76 -0.21 -1.99 1.43 -1.06 -0.85 118.68 119.39 1ddm s LEU 178 Ca -0.04 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.52 1ddm s LEU 178 Cb -0.03 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 1ddm s LEU 178 CO 0.04 -0.20 0.64 0.00 0.23 0.00 0.00 176.35 177.05 1ddm s ALA 179 N -2.20 3.56 -0.88 4.21 0.00 -0.18 -0.55 121.76 125.73 1ddm s ALA 179 Ca 0.37 -0.31 0.19 0.00 0.00 0.00 0.00 51.96 52.22 1ddm s ALA 179 Cb -0.07 -3.00 0.79 0.00 0.00 0.00 0.00 23.12 20.84 1ddm s ALA 179 CO 0.26 -0.63 1.60 0.00 0.00 0.00 0.00 175.76 176.99 1ddm h LYS 181 N 0.00 0.00 -5.67 0.00 1.79 -1.92 -3.49 116.57 107.28 1ddm h LYS 181 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1ddm h LYS 181 Cb 0.33 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1ddm h LYS 181 CO 0.00 0.00 -0.74 -0.25 -1.08 0.00 0.00 179.45 177.38 1ddm n ASP 182 N -2.37 -7.22 0.00 0.86 8.00 -0.86 -4.94 116.55 110.02 1ddm n ASP 182 Ca 0.02 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1ddm n ASP 182 Cb 0.49 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 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 -0.19 0.00 -0.59 -2.24 2.88 -1.26 -5.04 113.62 107.17 1ddm n SER 183 Ca 0.05 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.55 1ddm n SER 183 Cb 0.51 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 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 -1.41 0.27 0.00 0.46 0.00 -1.26 -4.86 105.19 98.38 1ddm n GLY 184 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1ddm n GLY 184 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ddm n GLU 185 N -1.41 0.00 0.25 1.61 1.02 -1.26 -4.47 120.64 116.38 1ddm n GLU 185 Ca -0.04 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.21 1ddm n GLU 185 Cb 0.53 -0.35 0.74 0.00 -0.02 0.00 0.00 31.44 32.35 1ddm n GLU 185 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ddm h ARG 186 N 0.00 0.00 0.00 3.49 2.47 -1.96 -2.60 114.38 115.79 1ddm h ARG 186 Ca 0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 1ddm h ARG 186 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1ddm h ARG 186 CO 0.00 0.00 -1.22 1.28 0.56 0.00 0.00 179.97 180.59 1ddm n LEU 187 N -4.27 2.74 0.28 3.04 4.32 -1.26 -4.47 117.00 117.38 1ddm n LEU 187 Ca -0.02 -0.02 -0.14 0.00 -0.02 0.00 0.00 56.01 55.82 1ddm n LEU 187 Cb 0.13 -0.12 -0.07 0.00 -1.62 0.00 0.00 43.42 41.74 1ddm n LEU 187 CO 0.32 0.52 0.52 -1.28 -1.22 0.00 0.00 177.39 176.25 1ddm h SER 188 N 0.00 -0.91 0.35 -1.43 0.87 -1.78 -1.09 113.55 109.57 1ddm h SER 188 Ca -0.09 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1ddm h SER 188 Cb 1.14 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1ddm h SER 188 CO -0.01 -0.52 0.00 0.45 -0.53 0.00 0.00 176.83 176.22 1ddm h HIS 189 N -0.81 0.00 0.09 2.24 3.86 -1.70 -2.82 115.15 116.00 1ddm h HIS 189 Ca -0.07 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1ddm h HIS 189 Cb 0.66 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1ddm h HIS 189 CO -0.08 0.00 -0.04 0.00 0.86 0.00 0.00 177.93 178.66 1ddm h ALA 190 N 2.09 -0.12 0.00 2.45 0.00 -1.51 -3.22 119.26 118.94 1ddm h ALA 190 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ddm h ALA 190 Cb 0.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ddm h ALA 190 CO 0.00 -0.19 0.00 -0.24 0.00 0.00 0.00 179.25 178.82 1ddm h VAL 191 N -0.87 0.00 0.00 0.00 3.04 -1.01 -1.13 116.25 116.27 1ddm h VAL 191 Ca -0.01 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1ddm h VAL 191 Cb 0.57 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1ddm h VAL 191 CO 0.02 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.19 1ddm n GLY 192 N -0.74 -0.78 0.00 3.17 0.00 -1.08 -2.40 105.19 103.35 1ddm n GLY 192 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1ddm n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddm h ALA 194 N 0.00 0.09 -0.30 0.00 0.00 -1.47 -3.22 119.26 114.36 1ddm h ALA 194 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1ddm h ALA 194 Cb 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ddm h ALA 194 CO 0.00 0.23 -0.30 0.27 0.00 0.00 0.00 179.25 179.45 1ddm h PHE 195 N -0.21 0.72 -0.45 0.00 -0.00 -1.85 -0.34 116.94 114.81 1ddm h PHE 195 Ca -0.04 -0.18 0.09 0.00 -0.00 0.00 0.00 57.97 57.84 1ddm h PHE 195 Cb 1.11 -0.17 -0.02 0.00 -0.00 0.00 0.00 35.95 36.87 1ddm h PHE 195 CO 0.15 0.85 0.31 0.00 -0.00 0.00 0.00 178.31 179.62 1ddm h ALA 196 N 1.14 2.17 0.00 12.09 0.00 -1.82 -0.00 119.26 132.84 1ddm h ALA 196 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ddm h ALA 196 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ddm h ALA 196 CO 0.06 -0.28 -1.42 0.28 0.00 0.00 0.00 179.25 177.90 1ddm n VAL 197 N -4.45 0.33 0.93 0.00 0.31 -1.03 -3.88 118.33 110.54 1ddm n VAL 197 Ca 0.07 -0.51 0.10 0.00 -0.01 0.00 0.00 64.34 63.99 1ddm n VAL 197 Cb 0.38 -0.16 0.50 0.00 -0.91 0.00 0.00 33.84 33.66 1ddm n VAL 197 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddm n LEU 199 N -1.30 2.29 -0.03 0.00 4.77 -0.97 -3.83 117.00 117.92 1ddm n LEU 199 Ca 0.09 -1.15 -0.15 0.00 -0.03 0.00 0.00 56.01 54.77 1ddm n LEU 199 Cb 0.17 -0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 40.75 1ddm n LEU 199 CO 0.16 0.43 -0.78 -0.62 -1.33 0.00 0.00 177.39 175.25 1ddm n GLU 200 N 0.38 0.69 0.00 3.23 1.02 -1.05 -5.14 120.64 119.77 1ddm n GLU 200 Ca 0.11 0.24 0.05 0.00 -0.02 0.00 0.00 57.16 57.54 1ddm n GLU 200 Cb 0.43 -1.71 0.04 0.00 -0.02 0.00 0.00 31.44 30.19 1ddm n GLU 200 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85