#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 0.67 0.25 1.57 7.27 -1.26 -4.27 117.38 121.61 1ddm n GLN 68 Ca 0.00 0.09 0.10 0.00 0.07 0.00 0.00 57.00 57.26 1ddm n GLN 68 Cb 0.00 -1.54 0.66 0.00 2.41 0.00 0.00 30.24 31.77 1ddm n GLN 68 CO 0.00 0.00 0.00 -1.49 0.07 0.00 0.00 177.06 175.64 1ddm h TRP 69 N 0.00 0.00 0.00 3.69 4.06 -2.05 0.12 115.95 121.77 1ddm h TRP 69 Ca -0.55 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.40 1ddm h TRP 69 Cb 2.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.21 1ddm h TRP 69 CO 0.02 0.14 0.00 1.96 -3.56 0.00 0.00 178.44 176.99 1ddm h GLN 70 N 0.00 0.00 -0.00 0.49 1.08 -2.03 -1.72 115.11 112.93 1ddm h GLN 70 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ddm h GLN 70 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1ddm h GLN 70 CO 0.02 0.00 -0.08 0.00 -0.95 0.00 0.00 178.83 177.81 1ddm n ALA 71 N -1.98 2.35 0.11 3.87 0.00 -0.35 -4.65 120.51 119.86 1ddm n ALA 71 Ca -0.01 -0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.04 1ddm n ALA 71 Cb 0.14 -0.09 -0.15 0.00 0.00 0.00 0.00 19.45 19.36 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 0.12 0.65 0.30 0.00 5.19 0.04 -2.03 116.42 120.69 1ddm h ASP 72 Ca 0.00 -0.79 -0.00 0.00 -0.62 0.00 0.00 57.03 55.62 1ddm h ASP 72 Cb 0.07 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.37 1ddm h ASP 72 CO 0.00 1.63 -0.00 -0.08 -3.12 0.00 0.00 179.24 177.67 1ddm h GLU 73 N 0.11 0.00 0.00 3.56 4.81 -1.66 -1.15 114.58 120.25 1ddm h GLU 73 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1ddm h GLU 73 Cb 2.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.48 1ddm h GLU 73 CO 0.22 0.00 -1.07 -1.91 -0.73 0.00 0.00 179.01 175.53 1ddm n GLU 74 N -3.12 1.27 -0.10 1.92 2.13 -1.23 -4.52 120.64 116.98 1ddm n GLU 74 Ca -0.02 -0.05 -0.06 0.00 0.66 0.00 0.00 57.16 57.70 1ddm n GLU 74 Cb 0.14 -1.31 0.02 0.00 0.27 0.00 0.00 31.44 30.56 1ddm n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ddm h ALA 75 N 2.09 0.34 -0.49 4.31 0.00 -0.43 -0.39 119.26 124.70 1ddm h ALA 75 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ddm h ALA 75 Cb 0.50 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1ddm h ALA 75 CO 0.00 -0.38 0.20 0.28 0.00 0.00 0.00 179.25 179.35 1ddm h VAL 76 N 0.13 1.18 0.00 0.00 2.07 -1.76 -1.35 116.25 116.51 1ddm h VAL 76 Ca 0.17 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 1ddm h VAL 76 Cb 0.23 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1ddm h VAL 76 CO -0.27 0.21 -0.29 0.03 0.02 0.00 0.00 177.57 177.27 1ddm h ARG 77 N 0.69 0.00 0.00 1.57 3.08 -1.42 0.21 114.38 118.50 1ddm h ARG 77 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1ddm h ARG 77 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1ddm h ARG 77 CO -0.02 0.29 0.00 -1.13 -1.07 0.00 0.00 179.97 178.05 1ddm n SER 78 N -4.18 0.00 -1.11 7.04 3.41 -0.30 -4.78 113.62 113.70 1ddm n SER 78 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.58 1ddm n SER 78 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1ddm n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ddm n ALA 79 N -3.00 -0.86 -3.15 7.33 0.00 -0.94 -4.60 120.51 115.28 1ddm n ALA 79 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.35 1ddm n ALA 79 Cb 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 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 0.01 -0.16 -0.39 0.00 -1.32 -1.07 -4.51 115.64 108.21 1ddm s THR 80 Ca 0.01 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.58 1ddm s THR 80 Cb 0.04 -0.40 0.30 0.00 -1.51 0.00 0.00 72.50 70.93 1ddm s THR 80 CO -0.01 0.00 0.64 0.00 -2.21 0.00 0.00 174.62 173.04 1ddm n SER 82 N 0.89 0.00 -1.22 0.00 2.88 -1.25 -3.90 113.62 111.02 1ddm n SER 82 Ca 0.22 -0.10 -0.01 0.00 -1.33 0.00 0.00 58.87 57.65 1ddm n SER 82 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.95 -1.49 0.66 3.72 -1.04 -4.85 117.46 113.51 1ddm n PHE 83 Ca 0.00 -0.24 -0.39 0.00 -0.05 0.00 0.00 57.45 56.77 1ddm n PHE 83 Cb 0.00 0.10 0.03 0.00 -0.94 0.00 0.00 39.48 38.67 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 -1.41 -0.71 -0.86 4.37 7.64 -1.26 -1.66 113.62 119.72 1ddm n SER 84 Ca -0.01 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.67 1ddm n SER 84 Cb 0.07 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 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 -1.45 0.00 -3.23 0.44 0.24 -0.33 -2.47 118.33 111.53 1ddm n VAL 85 Ca 0.12 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.19 1ddm n VAL 85 Cb 0.45 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.75 1ddm n VAL 85 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1ddm n LYS 86 N 0.00 0.43 -1.74 7.34 4.76 0.47 -4.08 118.16 125.35 1ddm n LYS 86 Ca 0.00 -3.01 -0.22 0.00 -2.87 0.00 0.00 58.31 52.22 1ddm n LYS 86 Cb 0.00 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 31.66 1ddm n LYS 86 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1ddm s TYR 87 N -0.28 1.36 0.18 2.13 5.04 -1.12 -3.06 117.35 121.61 1ddm s TYR 87 Ca 0.33 1.46 -0.12 0.00 -2.44 0.00 0.00 57.07 56.30 1ddm s TYR 87 Cb 0.09 -3.68 0.09 0.00 0.35 0.00 0.00 41.96 38.82 1ddm s TYR 87 CO -0.16 -1.78 1.80 -0.07 -1.34 0.00 0.00 175.55 174.00 1ddm h LEU 88 N 20.43 0.77 0.00 6.97 3.38 -1.65 0.12 115.31 145.33 1ddm h LEU 88 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ddm h LEU 88 Cb 1.04 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1ddm h LEU 88 CO 1.10 0.64 0.00 0.61 0.09 0.00 0.00 178.44 180.87 1ddm n GLY 89 N -1.07 0.01 3.55 0.83 0.00 -1.25 -3.09 105.19 104.16 1ddm n GLY 89 Ca 0.04 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 1.29 1.61 0.26 0.00 -7.23 -0.49 -4.99 120.40 110.86 1ddm s VAL 91 Ca -0.08 -1.50 -0.29 0.00 -1.81 0.00 0.00 61.98 58.30 1ddm s VAL 91 Cb -0.06 -1.47 -0.10 0.00 0.56 0.00 0.00 36.38 35.32 1ddm s VAL 91 CO -0.14 -0.08 1.30 -1.61 -0.31 0.00 0.00 175.10 174.26 1ddm s GLU 92 N -1.87 4.39 0.00 4.82 2.02 -1.26 -1.88 118.70 124.92 1ddm s GLU 92 Ca 0.05 2.12 0.00 0.00 0.02 0.00 0.00 54.97 57.16 1ddm s GLU 92 Cb -0.10 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1ddm s GLU 92 CO 0.04 -0.20 0.00 1.33 0.02 0.00 0.00 175.26 176.45 1ddm n VAL 93 N 1.73 0.00 -3.83 2.63 0.24 -1.26 -4.87 118.33 112.97 1ddm n VAL 93 Ca 0.03 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.05 1ddm n VAL 93 Cb 0.42 -0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.67 1ddm n VAL 93 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1ddm s PHE 94 N -0.93 3.23 0.00 6.34 0.40 -1.26 -4.80 117.98 120.96 1ddm s PHE 94 Ca 0.00 -3.20 -0.01 0.00 -0.60 0.00 0.00 56.93 53.12 1ddm s PHE 94 Cb 0.00 -2.46 0.00 0.00 0.51 0.00 0.00 43.02 41.07 1ddm s PHE 94 CO 0.00 -0.59 0.02 0.39 0.70 0.00 0.00 175.22 175.74 1ddm n GLU 95 N 2.11 -4.25 -0.43 0.44 1.02 -1.26 -4.72 120.64 113.55 1ddm n GLU 95 Ca 0.21 3.18 0.40 0.00 -0.02 0.00 0.00 57.16 60.93 1ddm n GLU 95 Cb 0.37 -4.01 0.77 0.00 -0.02 0.00 0.00 31.44 28.54 1ddm n GLU 95 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1ddm h SER 96 N 3.50 0.01 -1.96 1.62 4.64 -1.93 -3.41 113.55 116.02 1ddm h SER 96 Ca -0.04 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.65 1ddm h SER 96 Cb 0.08 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.22 1ddm h SER 96 CO 0.00 -0.00 0.78 0.54 -0.87 0.00 0.00 176.83 177.28 1ddm n ARG 97 N -4.12 1.74 0.00 4.77 1.74 -1.26 -4.53 116.66 115.00 1ddm n ARG 97 Ca 0.31 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 58.02 1ddm n ARG 97 Cb 1.46 -2.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 1ddm n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ddm n GLY 98 N 3.47 0.39 0.99 -0.13 0.00 -1.26 -4.95 105.19 103.69 1ddm n GLY 98 Ca 0.20 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1ddm n GLY 98 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ddm n MET 99 N 0.00 0.00 0.00 1.61 0.00 -1.26 -4.93 117.12 112.54 1ddm n MET 99 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1ddm n MET 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 -2.28 0.94 0.20 2.12 6.02 -1.26 -3.72 117.38 119.41 1ddm n GLN 100 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 1ddm n GLN 100 Cb 0.00 -1.07 0.71 0.00 1.02 0.00 0.00 30.24 30.90 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 0.00 5.09 2.07 -1.91 -2.35 116.25 119.15 1ddm h VAL 101 Ca 0.00 -0.08 -0.34 0.00 0.82 0.00 0.00 66.70 67.10 1ddm h VAL 101 Cb 0.07 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1ddm h VAL 101 CO 0.00 0.00 -2.27 0.00 0.02 0.00 0.00 177.57 175.32 1ddm h GLU 103 N 0.00 0.00 0.00 0.00 5.08 -1.67 -1.18 114.58 116.82 1ddm h GLU 103 Ca -0.50 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.50 1ddm h GLU 103 Cb 1.94 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.13 1ddm h GLU 103 CO -0.03 0.00 -2.20 0.39 -1.00 0.00 0.00 179.01 176.17 1ddm n GLU 104 N -3.04 0.47 -0.23 2.33 1.02 -1.01 -4.45 120.64 115.73 1ddm n GLU 104 Ca -0.02 0.19 0.07 0.00 -0.02 0.00 0.00 57.16 57.37 1ddm n GLU 104 Cb 0.11 -1.29 0.33 0.00 -0.02 0.00 0.00 31.44 30.57 1ddm n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ddm h ALA 105 N -0.64 1.68 -0.66 0.62 0.00 -1.52 -0.61 119.26 118.13 1ddm h ALA 105 Ca -0.53 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.40 1ddm h ALA 105 Cb 1.52 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1ddm h ALA 105 CO -0.29 0.17 0.44 1.25 0.00 0.00 0.00 179.25 180.82 1ddm h LEU 106 N 0.81 0.65 -0.26 0.00 5.85 -1.45 -1.52 115.31 119.39 1ddm h LEU 106 Ca 0.36 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.86 1ddm h LEU 106 Cb 0.33 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1ddm h LEU 106 CO -0.13 0.44 -0.87 0.50 -0.34 0.00 0.00 178.44 178.03 1ddm h LYS 107 N 0.75 0.36 -0.41 1.25 3.64 -1.35 -2.92 116.57 117.90 1ddm h LYS 107 Ca 0.27 -0.37 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1ddm h LYS 107 Cb 0.13 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1ddm h LYS 107 CO -0.08 1.04 0.27 0.28 -2.27 0.00 0.00 179.45 178.69 1ddm h VAL 108 N 0.22 1.01 0.00 2.00 2.07 -0.63 0.19 116.25 121.11 1ddm h VAL 108 Ca -0.06 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 1ddm h VAL 108 Cb 1.49 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1ddm h VAL 108 CO 0.15 0.07 -0.51 -0.07 0.02 0.00 0.00 177.57 177.23 1ddm h LEU 109 N 0.40 0.00 0.00 2.57 3.38 -1.41 -2.42 115.31 117.83 1ddm h LEU 109 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ddm h LEU 109 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ddm h LEU 109 CO -0.04 0.51 -0.30 -1.14 0.09 0.00 0.00 178.44 177.57 1ddm n ARG 110 N -3.23 0.26 0.00 1.13 0.00 0.03 -3.43 116.66 111.41 1ddm n ARG 110 Ca 0.02 0.14 0.08 0.00 -0.00 0.00 0.00 57.85 58.09 1ddm n ARG 110 Cb 0.74 -1.73 0.01 0.00 0.00 0.00 0.00 32.46 31.48 1ddm n ARG 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1ddm n GLN 111 N -2.14 1.63 -2.27 -0.14 6.02 0.46 -4.99 117.38 115.94 1ddm n GLN 111 Ca 0.05 -0.92 -0.09 0.00 -0.01 0.00 0.00 57.00 56.02 1ddm n GLN 111 Cb 0.43 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.42 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 0.06 1.53 -0.57 1.08 7.64 -0.92 -5.01 113.62 117.43 1ddm n SER 112 Ca 0.07 -1.67 0.04 0.00 1.01 0.00 0.00 58.87 58.32 1ddm n SER 112 Cb 0.35 -0.03 0.13 0.00 -1.01 0.00 0.00 64.21 63.64 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 -1.03 1.73 -1.73 1.43 3.00 -1.26 -4.87 116.66 113.93 1ddm n ARG 113 Ca 0.00 -1.03 -0.40 0.00 -0.01 0.00 0.00 57.85 56.41 1ddm n ARG 113 Cb 0.23 -1.27 -0.03 0.00 0.00 0.00 0.00 32.46 31.39 1ddm n ARG 113 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1ddm s ARG 114 N -1.63 2.76 0.07 5.56 1.81 -1.26 -4.95 118.95 121.32 1ddm s ARG 114 Ca 0.19 1.52 -0.27 0.00 -1.72 0.00 0.00 55.73 55.45 1ddm s ARG 114 Cb 0.10 -4.41 -0.06 0.00 -0.45 0.00 0.00 34.95 30.14 1ddm s ARG 114 CO 0.12 -2.53 0.84 1.03 -0.68 0.00 0.00 175.30 174.08 1ddm s ARG 115 N 6.94 4.57 0.33 3.54 0.52 -1.18 -4.79 118.95 128.87 1ddm s ARG 115 Ca 0.91 1.21 -0.27 0.00 -0.52 0.00 0.00 55.73 57.06 1ddm s ARG 115 Cb -0.23 -3.36 -0.09 0.00 0.52 0.00 0.00 34.95 31.78 1ddm s ARG 115 CO 0.30 0.27 1.07 -1.25 0.02 0.00 0.00 175.30 175.71 1ddm s PRO 116 N -0.08 4.45 -0.22 3.54 0.04 -1.25 -4.31 135.00 137.16 1ddm s PRO 116 Ca 0.41 1.67 -0.06 0.00 0.04 0.00 0.00 61.00 63.07 1ddm s PRO 116 Cb -0.22 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 1ddm s PRO 116 CO 0.26 0.07 0.03 0.08 0.04 0.00 0.00 177.00 177.48 1ddm s VAL 117 N -1.37 4.11 -0.26 -0.36 1.01 0.03 -4.78 120.40 118.78 1ddm s VAL 117 Ca 0.50 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1ddm s VAL 117 Cb -0.28 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1ddm s VAL 117 CO 0.35 0.39 1.68 -0.60 0.00 0.00 0.00 175.10 176.92 1ddm s ARG 118 N 1.29 3.63 -0.08 2.72 3.52 -1.26 -2.80 118.95 125.97 1ddm s ARG 118 Ca 0.04 1.56 -0.16 0.00 -0.13 0.00 0.00 55.73 57.04 1ddm s ARG 118 Cb -0.15 -4.09 0.04 0.00 -1.56 0.00 0.00 34.95 29.18 1ddm s ARG 118 CO 0.02 -1.50 0.39 0.20 -0.81 0.00 0.00 175.30 173.60 1ddm s GLY 119 N 4.89 -0.26 -0.47 8.12 0.00 -1.26 -2.23 107.32 116.11 1ddm s GLY 119 Ca 0.74 0.78 -0.27 0.00 0.00 0.00 0.00 44.72 45.98 1ddm s GLY 119 CO 0.31 0.58 1.01 -2.27 0.00 0.00 0.00 173.10 172.73 1ddm s LEU 120 N -0.68 3.86 0.17 0.66 1.98 0.36 -1.19 118.68 123.84 1ddm s LEU 120 Ca -0.08 0.26 -0.29 0.00 -2.89 0.00 0.00 54.13 51.13 1ddm s LEU 120 Cb -0.04 -3.34 -0.07 0.00 0.66 0.00 0.00 46.19 43.40 1ddm s LEU 120 CO 0.03 -1.13 0.92 -0.22 -1.89 0.00 0.00 176.35 174.07 1ddm s LEU 121 N 4.03 4.58 -0.55 -0.68 2.96 -0.67 -1.61 118.68 126.73 1ddm s LEU 121 Ca 0.41 1.83 0.04 0.00 -0.22 0.00 0.00 54.13 56.20 1ddm s LEU 121 Cb -0.09 -3.55 0.15 0.00 0.50 0.00 0.00 46.19 43.20 1ddm s LEU 121 CO 0.28 0.07 0.34 -1.00 -1.32 0.00 0.00 176.35 174.73 1ddm s HIS 122 N -0.67 2.84 -0.56 5.38 3.76 -0.54 -2.49 115.29 123.01 1ddm s HIS 122 Ca 0.43 -2.98 -0.26 0.00 -0.15 0.00 0.00 55.06 52.10 1ddm s HIS 122 Cb -0.24 -2.39 -0.07 0.00 1.11 0.00 0.00 32.58 30.99 1ddm s HIS 122 CO 0.30 -0.69 2.29 0.08 -0.85 0.00 0.00 174.74 175.87 1ddm s VAL 123 N -0.50 3.09 -0.05 -0.90 1.01 -1.25 -3.37 120.40 118.43 1ddm s VAL 123 Ca 0.21 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 1ddm s VAL 123 Cb -0.16 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1ddm s VAL 123 CO -0.07 -0.22 0.21 -0.55 0.00 0.00 0.00 175.10 174.47 1ddm s SER 124 N 11.14 6.46 0.00 3.32 0.15 -1.26 -0.76 113.70 132.76 1ddm s SER 124 Ca 0.90 0.53 0.00 0.00 0.70 0.00 0.00 55.95 58.08 1ddm s SER 124 Cb -0.15 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1ddm s SER 124 CO 0.22 0.33 0.48 0.61 1.20 0.00 0.00 173.24 176.08 1ddm n GLY 125 N 1.54 0.52 1.16 9.45 0.00 0.74 -2.50 105.19 116.10 1ddm n GLY 125 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.07 0.24 0.00 1.61 2.03 -1.26 -4.37 116.55 114.73 1ddm n ASP 126 Ca 0.00 -1.93 0.00 0.00 0.52 0.00 0.00 54.79 53.38 1ddm n ASP 126 Cb 0.12 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 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 0.26 2.99 3.76 0.27 0.00 -1.04 -4.84 105.19 106.60 1ddm n GLY 127 Ca -0.05 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 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 4.47 -0.05 0.99 1.43 -1.18 -4.02 118.68 120.33 1ddm s LEU 128 Ca 0.00 2.14 -0.02 0.00 -1.03 0.00 0.00 54.13 55.22 1ddm s LEU 128 Cb 0.00 -3.76 0.03 0.00 0.03 0.00 0.00 46.19 42.49 1ddm s LEU 128 CO 0.00 -0.16 0.10 0.00 0.23 0.00 0.00 176.35 176.52 1ddm s ARG 129 N -1.65 0.05 -0.33 1.70 3.03 -1.22 -3.41 118.95 117.12 1ddm s ARG 129 Ca 0.47 0.28 -0.08 0.00 2.03 0.00 0.00 55.73 58.42 1ddm s ARG 129 Cb -0.28 -0.17 0.02 0.00 -1.03 0.00 0.00 34.95 33.49 1ddm s ARG 129 CO 0.36 -0.14 0.13 0.08 -1.13 0.00 0.00 175.30 174.60 1ddm s VAL 130 N 0.97 4.20 -0.41 4.99 1.01 -1.10 -1.47 120.40 128.58 1ddm s VAL 130 Ca -0.08 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1ddm s VAL 130 Cb -0.10 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1ddm s VAL 130 CO -0.04 -0.08 0.31 -0.69 0.00 0.00 0.00 175.10 174.61 1ddm s VAL 131 N 1.51 5.25 0.51 2.92 1.01 -0.64 -2.27 120.40 128.69 1ddm s VAL 131 Ca 0.02 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 1ddm s VAL 131 Cb -0.18 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1ddm s VAL 131 CO 0.04 -0.32 0.78 0.47 0.00 0.00 0.00 175.10 176.07 1ddm n ASP 132 N 5.20 0.13 -1.28 3.32 8.00 -1.26 -0.49 116.55 130.17 1ddm n ASP 132 Ca -0.11 0.87 0.10 0.00 0.71 0.00 0.00 54.79 56.36 1ddm n ASP 132 Cb 0.47 -1.27 0.30 0.00 -0.02 0.00 0.00 41.12 40.59 1ddm n ASP 132 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ddm n ASP 133 N 0.30 3.73 -0.03 -2.24 5.75 -0.95 -1.36 116.55 121.74 1ddm n ASP 133 Ca 0.11 -2.12 -0.03 0.00 -0.01 0.00 0.00 54.79 52.74 1ddm n ASP 133 Cb 0.44 -0.47 -0.05 0.00 -1.03 0.00 0.00 41.12 40.01 1ddm n ASP 133 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ddm n GLU 134 N 1.28 2.83 0.00 0.11 1.02 -1.26 -4.78 120.64 119.85 1ddm n GLU 134 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1ddm n GLU 134 Cb 0.63 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 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 -2.26 0.00 -1.78 2.62 5.66 -1.26 -5.00 114.28 112.26 1ddm n THR 135 Ca -0.10 -0.18 -0.19 0.00 -3.05 0.00 0.00 64.05 60.52 1ddm n THR 135 Cb 0.69 1.08 -0.06 0.00 -1.55 0.00 0.00 70.33 70.49 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 -0.32 -1.52 0.00 1.09 4.76 -0.47 -4.95 118.16 116.76 1ddm n LYS 136 Ca 0.00 1.08 0.00 0.00 -2.87 0.00 0.00 58.31 56.52 1ddm n LYS 136 Cb 0.02 -5.52 0.00 0.00 -1.84 0.00 0.00 35.03 27.69 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 -0.52 -0.06 3.00 0.72 0.00 -1.26 -4.69 105.19 102.38 1ddm n GLY 137 Ca -0.20 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.61 -0.23 0.99 2.96 -1.26 -4.23 118.68 116.30 1ddm s LEU 138 Ca 0.00 0.42 -0.10 0.00 -0.22 0.00 0.00 54.13 54.23 1ddm s LEU 138 Cb 0.00 1.13 -0.17 0.00 0.50 0.00 0.00 46.19 47.65 1ddm s LEU 138 CO 0.00 -0.28 -0.08 -0.38 -1.32 0.00 0.00 176.35 174.29 1ddm n ILE 139 N 5.37 1.57 -3.99 6.68 5.41 -0.96 -4.83 119.36 128.60 1ddm n ILE 139 Ca -0.05 -0.42 -0.31 0.00 1.00 0.00 0.00 62.75 62.97 1ddm n ILE 139 Cb 0.50 -1.76 -0.15 0.00 -0.71 0.00 0.00 39.64 37.53 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 -2.49 2.40 -0.89 1.39 1.01 -1.25 -4.99 120.40 115.57 1ddm s VAL 140 Ca -0.33 -2.53 0.01 0.00 0.00 0.00 0.00 61.98 59.13 1ddm s VAL 140 Cb 0.10 -2.74 0.33 0.00 0.00 0.00 0.00 36.38 34.07 1ddm s VAL 140 CO 0.59 -0.65 1.58 -0.90 0.00 0.00 0.00 175.10 175.73 1ddm n ASP 141 N 4.03 6.54 -1.92 3.32 5.75 -1.26 -2.73 116.55 130.28 1ddm n ASP 141 Ca 0.04 -3.70 0.00 0.00 -0.01 0.00 0.00 54.79 51.12 1ddm n ASP 141 Cb 0.40 -0.99 0.00 0.00 -1.03 0.00 0.00 41.12 39.50 1ddm n ASP 141 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ddm n GLN 142 N -0.14 1.79 -4.13 0.11 1.13 -1.22 -5.08 117.38 109.84 1ddm n GLN 142 Ca 0.43 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.38 1ddm n GLN 142 Cb 0.30 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.55 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 -0.35 0.60 0.23 5.09 2.01 -1.26 -3.12 115.64 118.83 1ddm s THR 143 Ca 0.00 -1.65 -0.06 0.00 0.31 0.00 0.00 61.69 60.28 1ddm s THR 143 Cb 0.00 -1.33 0.20 0.00 0.01 0.00 0.00 72.50 71.38 1ddm s THR 143 CO 0.00 -0.73 1.84 0.40 -0.69 0.00 0.00 174.62 175.44 1ddm h ILE 144 N 3.46 1.03 0.00 1.82 2.04 -1.88 0.55 117.51 124.54 1ddm h ILE 144 Ca -0.35 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1ddm h ILE 144 Cb 1.17 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1ddm h ILE 144 CO 0.57 0.17 -0.10 -1.84 0.00 0.00 0.00 178.15 176.95 1ddm n GLU 145 N -4.65 0.24 0.05 2.37 0.28 -1.26 -3.50 120.64 114.17 1ddm n GLU 145 Ca 0.11 0.17 -0.20 0.00 -0.16 0.00 0.00 57.16 57.08 1ddm n GLU 145 Cb 0.17 -1.75 -0.10 0.00 1.43 0.00 0.00 31.44 31.18 1ddm n GLU 145 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1ddm h LYS 146 N 0.00 0.66 -7.08 3.44 3.64 -1.34 -3.45 116.57 112.44 1ddm h LYS 146 Ca 0.00 -0.75 -0.44 0.00 -1.27 0.00 0.00 60.65 58.19 1ddm h LYS 146 Cb 0.71 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1ddm h LYS 146 CO 0.00 1.32 0.34 0.14 -2.27 0.00 0.00 179.45 178.99 1ddm s VAL 147 N -3.25 4.41 0.06 2.00 -7.23 -0.38 -4.83 120.40 111.18 1ddm s VAL 147 Ca -0.09 1.45 -0.28 0.00 -1.81 0.00 0.00 61.98 61.24 1ddm s VAL 147 Cb 0.07 -3.62 -0.14 0.00 0.56 0.00 0.00 36.38 33.25 1ddm s VAL 147 CO 0.92 -0.38 1.43 -1.28 -0.31 0.00 0.00 175.10 175.48 1ddm h SER 148 N 1.76 -1.00 -2.54 4.85 0.87 -1.60 -3.47 113.55 112.42 1ddm h SER 148 Ca -0.49 0.07 0.14 0.00 -1.23 0.00 0.00 61.79 60.28 1ddm h SER 148 Cb 1.18 0.31 -0.30 0.00 -0.44 0.00 0.00 62.40 63.15 1ddm h SER 148 CO 0.61 -0.55 0.61 0.72 -0.53 0.00 0.00 176.83 177.69 1ddm s PHE 149 N -5.20 -0.31 0.15 2.24 -0.12 -1.26 -5.07 117.98 108.42 1ddm s PHE 149 Ca -0.14 0.68 -0.30 0.00 -0.05 0.00 0.00 56.93 57.12 1ddm s PHE 149 Cb 0.03 0.34 -0.07 0.00 -0.63 0.00 0.00 43.02 42.68 1ddm s PHE 149 CO 0.46 -0.15 0.98 0.00 -0.05 0.00 0.00 175.22 176.45 1ddm s ALA 151 N -0.34 -0.37 0.00 0.00 0.00 -1.12 -5.06 121.76 114.87 1ddm s ALA 151 Ca 0.46 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1ddm s ALA 151 Cb -0.25 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1ddm s ALA 151 CO 0.31 -1.59 0.32 -0.35 0.00 0.00 0.00 175.76 174.45 1ddm n PRO 152 N 5.31 0.00 -3.75 0.00 -0.04 -1.26 -3.30 135.00 131.96 1ddm n PRO 152 Ca -0.03 0.08 -0.04 0.00 -0.04 0.00 0.00 63.50 63.47 1ddm n PRO 152 Cb 0.47 -0.82 -0.01 0.00 -0.04 0.00 0.00 33.50 33.10 1ddm n PRO 152 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ddm s ASP 153 N -2.26 -0.20 0.19 3.54 2.15 -1.26 -4.01 116.67 114.82 1ddm s ASP 153 Ca 0.00 -0.40 -0.12 0.00 0.43 0.00 0.00 52.55 52.46 1ddm s ASP 153 Cb 0.00 0.51 0.16 0.00 -0.30 0.00 0.00 42.92 43.29 1ddm s ASP 153 CO 0.00 -0.93 1.79 0.08 -0.17 0.00 0.00 175.17 175.94 1ddm h ARG 154 N 2.00 0.52 0.00 4.34 -0.00 -1.95 -3.39 114.38 115.90 1ddm h ARG 154 Ca -0.24 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.71 1ddm h ARG 154 Cb 1.23 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 31.09 1ddm h ARG 154 CO 0.26 0.34 -0.26 -1.71 -0.00 0.00 0.00 179.97 178.60 1ddm n ASN 155 N -4.87 0.91 0.00 0.08 5.15 -1.26 -5.11 115.26 110.16 1ddm n ASN 155 Ca 0.05 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1ddm n ASN 155 Cb 0.15 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.00 1ddm n ASN 155 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1ddm n HIS 156 N -3.37 -0.15 -1.21 1.20 -0.00 -1.26 -5.00 115.22 105.42 1ddm n HIS 156 Ca -0.04 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.06 1ddm n HIS 156 Cb 0.14 0.03 -0.04 0.00 -0.12 0.00 0.00 29.99 30.00 1ddm n HIS 156 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1ddm n GLU 157 N -1.23 -1.74 -2.83 1.57 4.07 -1.26 -2.19 120.64 117.04 1ddm n GLU 157 Ca 0.00 0.77 -0.15 0.00 -0.06 0.00 0.00 57.16 57.72 1ddm n GLU 157 Cb 0.00 -5.12 -0.01 0.00 -0.06 0.00 0.00 31.44 26.26 1ddm n GLU 157 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1ddm n ARG 158 N -0.52 -2.77 -3.79 5.31 5.12 -1.26 -4.92 116.66 113.83 1ddm n ARG 158 Ca -0.09 0.47 -0.13 0.00 -1.93 0.00 0.00 57.85 56.17 1ddm n ARG 158 Cb 0.54 -5.09 -0.13 0.00 -1.16 0.00 0.00 32.46 26.62 1ddm n ARG 158 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ddm s GLY 159 N -2.31 -0.13 0.27 -0.13 0.00 -0.93 -1.33 107.32 102.76 1ddm s GLY 159 Ca 0.16 0.63 0.01 0.00 0.00 0.00 0.00 44.72 45.52 1ddm s GLY 159 CO 0.20 0.67 0.02 0.69 0.00 0.00 0.00 173.10 174.68 1ddm n PHE 160 N 3.36 0.51 -3.81 1.90 3.72 -0.16 -4.19 117.46 118.80 1ddm n PHE 160 Ca -0.17 -1.40 -0.05 0.00 -0.05 0.00 0.00 57.45 55.79 1ddm n PHE 160 Cb 0.57 -0.14 -0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1ddm n PHE 160 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1ddm s SER 161 N -2.50 -0.11 -0.10 4.37 1.04 -1.21 -2.09 113.70 113.10 1ddm s SER 161 Ca 0.03 -0.63 -0.27 0.00 0.48 0.00 0.00 55.95 55.56 1ddm s SER 161 Cb 0.00 0.59 0.06 0.00 0.10 0.00 0.00 66.02 66.77 1ddm s SER 161 CO 0.02 -1.12 0.63 -0.72 0.98 0.00 0.00 173.24 173.02 1ddm s TYR 162 N -2.93 -0.62 0.25 5.02 1.13 -0.82 -2.80 117.35 116.59 1ddm s TYR 162 Ca 0.15 1.20 0.10 0.00 -1.41 0.00 0.00 57.07 57.12 1ddm s TYR 162 Cb -0.03 0.33 -0.05 0.00 -1.10 0.00 0.00 41.96 41.11 1ddm s TYR 162 CO 0.05 -0.51 -0.11 0.42 -2.51 0.00 0.00 175.55 172.89 1ddm s ILE 163 N -0.77 2.96 0.26 -3.49 1.09 -1.26 -1.32 121.20 118.66 1ddm s ILE 163 Ca -0.08 -2.06 -0.08 0.00 -1.10 0.00 0.00 60.65 57.32 1ddm s ILE 163 Cb -0.02 -2.54 0.03 0.00 -1.06 0.00 0.00 42.46 38.87 1ddm s ILE 163 CO 0.07 -0.32 0.48 0.00 -0.10 0.00 0.00 174.94 175.07 1ddm s ARG 165 N -2.16 1.18 0.66 0.00 1.81 -1.26 -3.13 118.95 116.04 1ddm s ARG 165 Ca 0.13 -0.38 0.00 0.00 -1.72 0.00 0.00 55.73 53.75 1ddm s ARG 165 Cb -0.03 -1.07 0.00 0.00 -0.45 0.00 0.00 34.95 33.40 1ddm s ARG 165 CO 0.09 0.15 0.00 -0.40 -0.68 0.00 0.00 175.30 174.46 1ddm n ASP 166 N 3.26 -0.52 0.00 0.23 5.68 -0.26 -4.86 116.55 120.07 1ddm n ASP 166 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 1ddm n ASP 166 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1ddm n ASP 166 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ddm n GLY 167 N 0.00 0.93 0.00 6.12 0.00 -1.26 -4.39 105.19 106.59 1ddm n GLY 167 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 0.00 0.21 2.61 5.66 -1.26 -4.94 114.28 114.55 1ddm n THR 168 Ca 0.00 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.04 1ddm n THR 168 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 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 -2.11 1.09 -1.04 -1.26 -5.00 114.28 105.96 1ddm n THR 169 Ca 0.00 -0.26 -0.19 0.00 -2.04 0.00 0.00 64.05 61.56 1ddm n THR 169 Cb 0.00 0.72 -0.04 0.00 -1.82 0.00 0.00 70.33 69.19 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 -1.43 -1.66 -2.05 -2.82 1.74 -1.26 -4.87 116.66 104.31 1ddm n ARG 170 Ca 0.00 1.01 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1ddm n ARG 170 Cb 0.16 -5.56 0.00 0.00 -1.02 0.00 0.00 32.46 26.04 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 -2.73 0.05 -1.82 5.56 1.85 -1.26 -4.76 116.66 113.54 1ddm n ARG 171 Ca -0.22 -0.14 -0.41 0.00 -1.00 0.00 0.00 57.85 56.08 1ddm n ARG 171 Cb 0.66 0.22 -0.02 0.00 -1.05 0.00 0.00 32.46 32.27 1ddm n ARG 171 CO 0.00 0.00 0.00 1.67 -0.01 0.00 0.00 177.63 179.29 1ddm s TRP 172 N -3.64 2.79 -0.20 2.89 -2.14 -1.26 -1.10 118.94 116.27 1ddm s TRP 172 Ca 0.04 0.86 -0.28 0.00 2.66 0.00 0.00 56.10 59.38 1ddm s TRP 172 Cb -0.00 -4.02 0.12 0.00 -3.10 0.00 0.00 33.47 26.47 1ddm s TRP 172 CO 0.00 -3.37 0.97 -1.64 -2.66 0.00 0.00 176.95 170.25 1ddm s MET 173 N -0.62 0.62 0.04 3.25 -1.94 -1.18 -4.15 119.30 115.32 1ddm s MET 173 Ca 0.62 0.38 0.06 0.00 -1.71 0.00 0.00 55.69 55.03 1ddm s MET 173 Cb -0.47 0.29 -0.02 0.00 2.01 0.00 0.00 34.83 36.65 1ddm s MET 173 CO 0.48 -0.15 -0.17 0.00 -0.01 0.00 0.00 175.02 175.18 1ddm s HIS 175 N -0.82 2.67 0.15 0.00 3.76 -0.44 -1.40 115.29 119.21 1ddm s HIS 175 Ca 0.04 -0.34 0.07 0.00 -0.15 0.00 0.00 55.06 54.67 1ddm s HIS 175 Cb -0.08 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.90 1ddm s HIS 175 CO 0.01 0.04 -0.02 0.20 -0.85 0.00 0.00 174.74 174.13 1ddm s GLY 176 N -0.42 1.78 -0.29 -2.22 0.00 -1.24 -1.94 107.32 102.99 1ddm s GLY 176 Ca 0.05 -1.29 -0.19 0.00 0.00 0.00 0.00 44.72 43.29 1ddm s GLY 176 CO 0.02 -1.30 0.95 -0.11 0.00 0.00 0.00 173.10 172.66 1ddm s PHE 177 N -1.56 -0.62 0.20 1.90 -0.71 -0.89 -2.31 117.98 114.00 1ddm s PHE 177 Ca 0.26 1.30 0.06 0.00 -1.04 0.00 0.00 56.93 57.51 1ddm s PHE 177 Cb -0.10 0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 1ddm s PHE 177 CO 0.18 -0.30 0.14 -0.51 -1.34 0.00 0.00 175.22 173.38 1ddm s LEU 178 N 1.06 3.75 -0.22 -1.99 1.02 -1.17 -0.98 118.68 120.14 1ddm s LEU 178 Ca -0.06 -0.21 -0.28 0.00 0.02 0.00 0.00 54.13 53.60 1ddm s LEU 178 Cb -0.04 -2.33 0.00 0.00 0.02 0.00 0.00 46.19 43.84 1ddm s LEU 178 CO -0.13 0.03 0.99 0.00 0.02 0.00 0.00 176.35 177.26 1ddm s ALA 179 N -1.90 3.65 -0.80 4.21 0.00 -0.44 -0.39 121.76 126.08 1ddm s ALA 179 Ca 0.31 0.13 0.19 0.00 0.00 0.00 0.00 51.96 52.59 1ddm s ALA 179 Cb -0.09 -3.48 0.78 0.00 0.00 0.00 0.00 23.12 20.33 1ddm s ALA 179 CO 0.23 -0.97 1.58 0.00 0.00 0.00 0.00 175.76 176.60 1ddm h LYS 181 N 0.00 0.00 -5.72 0.00 1.79 -1.91 -3.49 116.57 107.24 1ddm h LYS 181 Ca 0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1ddm h LYS 181 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1ddm h LYS 181 CO 0.00 0.41 -0.36 -0.25 -1.08 0.00 0.00 179.45 178.16 1ddm n ASP 182 N -3.02 -7.08 0.00 0.86 8.00 -0.98 -4.92 116.55 109.42 1ddm n ASP 182 Ca -0.06 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1ddm n ASP 182 Cb 0.84 -4.36 0.00 0.00 -0.02 0.00 0.00 41.12 37.57 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 -1.68 0.00 -2.52 -2.24 2.88 -1.26 -5.04 113.62 103.75 1ddm n SER 183 Ca -0.06 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.31 1ddm n SER 183 Cb 0.55 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.05 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 -0.30 -0.21 0.00 0.46 0.00 -1.26 -4.85 105.19 99.03 1ddm n GLY 184 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.48 0.10 0.00 1.61 1.02 -1.26 -3.72 120.64 114.90 1ddm n GLU 185 Ca -0.05 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.22 1ddm n GLU 185 Cb 0.58 -0.51 0.43 0.00 -0.02 0.00 0.00 31.44 31.92 1ddm n GLU 185 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ddm n ARG 186 N -0.54 1.27 0.11 3.49 5.12 -1.26 -3.85 116.66 120.99 1ddm n ARG 186 Ca 0.00 -0.76 0.00 0.00 -1.93 0.00 0.00 57.85 55.16 1ddm n ARG 186 Cb 0.01 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 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 -0.20 0.06 0.30 0.55 4.32 -1.26 -3.82 117.00 116.95 1ddm n LEU 187 Ca 0.15 0.36 -0.15 0.00 -0.02 0.00 0.00 56.01 56.35 1ddm n LEU 187 Cb 0.36 0.23 -0.08 0.00 -1.62 0.00 0.00 43.42 42.31 1ddm n LEU 187 CO 0.21 -0.72 0.48 -1.28 -1.22 0.00 0.00 177.39 174.86 1ddm h SER 188 N 0.00 -0.66 -0.00 -1.43 0.87 -1.81 -1.85 113.55 108.66 1ddm h SER 188 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1ddm h SER 188 Cb 0.04 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1ddm h SER 188 CO 0.00 -0.32 0.01 -0.74 -0.53 0.00 0.00 176.83 175.25 1ddm h HIS 189 N -1.04 0.00 0.06 2.24 -0.00 -1.70 -2.06 115.15 112.65 1ddm h HIS 189 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.15 1ddm h HIS 189 Cb 0.66 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.09 1ddm h HIS 189 CO 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 177.93 177.35 1ddm h ALA 190 N 1.98 -0.02 -0.05 5.26 0.00 -1.61 -3.28 119.26 121.54 1ddm h ALA 190 Ca 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 1ddm h ALA 190 Cb 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ddm h ALA 190 CO -0.00 0.29 -0.16 0.28 0.00 0.00 0.00 179.25 179.66 1ddm h VAL 191 N -0.37 1.15 0.00 0.00 2.07 -0.65 -1.75 116.25 116.69 1ddm h VAL 191 Ca -0.09 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1ddm h VAL 191 Cb 1.39 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1ddm h VAL 191 CO 0.11 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.51 1ddm n GLY 192 N -0.97 -0.57 0.02 2.17 0.00 -0.95 -1.15 105.19 103.73 1ddm n GLY 192 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.15 -0.10 -0.07 0.00 0.00 -0.90 -3.28 119.26 115.06 1ddm h ALA 194 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1ddm h ALA 194 Cb 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ddm h ALA 194 CO 0.00 -0.19 -0.26 0.27 0.00 0.00 0.00 179.25 179.07 1ddm h PHE 195 N -0.82 0.14 -0.08 0.00 -0.00 -1.85 -2.17 116.94 112.16 1ddm h PHE 195 Ca -0.01 -0.02 0.02 0.00 -0.00 0.00 0.00 57.97 57.96 1ddm h PHE 195 Cb 0.61 -0.04 -0.00 0.00 -0.00 0.00 0.00 35.95 36.53 1ddm h PHE 195 CO 0.14 0.38 0.11 0.00 -0.00 0.00 0.00 178.31 178.93 1ddm h ALA 196 N 1.62 1.55 0.00 12.09 0.00 -1.81 0.95 119.26 133.66 1ddm h ALA 196 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ddm h ALA 196 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ddm h ALA 196 CO 0.04 -0.14 -1.30 0.28 0.00 0.00 0.00 179.25 178.12 1ddm n VAL 197 N -3.64 0.35 0.15 0.00 0.31 -0.83 -3.60 118.33 111.06 1ddm n VAL 197 Ca -0.01 -0.48 0.02 0.00 -0.01 0.00 0.00 64.34 63.86 1ddm n VAL 197 Cb 0.20 -0.14 0.18 0.00 -0.91 0.00 0.00 33.84 33.17 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 -3.49 3.89 -0.29 0.00 -0.00 -0.97 -4.66 117.00 111.48 1ddm n LEU 199 Ca 0.00 -3.37 -0.06 0.00 -0.00 0.00 0.00 56.01 52.58 1ddm n LEU 199 Cb 0.63 -0.58 0.06 0.00 -0.00 0.00 0.00 43.42 43.54 1ddm n LEU 199 CO 0.40 0.94 1.03 -0.08 -0.00 0.00 0.00 177.39 179.69 1ddm h GLU 200 N 1.28 1.19 -0.02 1.47 4.22 -1.60 -3.50 114.58 117.61 1ddm h GLU 200 Ca 0.11 -0.23 0.00 0.00 0.08 0.00 0.00 59.36 59.32 1ddm h GLU 200 Cb 1.52 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1ddm h GLU 200 CO 0.29 0.98 0.00 -2.13 -2.18 0.00 0.00 179.01 175.96