#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 0.53 -0.01 1.57 5.75 -2.06 -3.30 115.11 117.60 1ddm h GLN 68 Ca 0.00 -0.83 -0.15 0.00 -0.15 0.00 0.00 58.65 57.52 1ddm h GLN 68 Cb 0.00 0.30 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 1ddm h GLN 68 CO 0.00 1.39 -0.70 -1.49 -2.65 0.00 0.00 178.83 175.38 1ddm h TRP 69 N 0.18 0.09 0.00 3.99 4.06 -2.02 -2.11 115.95 120.14 1ddm h TRP 69 Ca -0.21 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.69 1ddm h TRP 69 Cb 2.05 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 30.20 1ddm h TRP 69 CO 0.11 0.74 0.00 1.04 -3.56 0.00 0.00 178.44 176.77 1ddm n GLN 70 N -3.74 0.02 -0.00 0.49 1.13 -1.24 -2.08 117.38 111.95 1ddm n GLN 70 Ca -0.02 0.29 0.04 0.00 -1.94 0.00 0.00 57.00 55.37 1ddm n GLN 70 Cb 0.68 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.47 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 -1.48 2.30 0.12 -1.58 0.00 -1.07 -4.55 120.51 114.25 1ddm n ALA 71 Ca 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ddm n ALA 71 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.26 0.00 5.19 -0.81 -2.51 116.42 118.02 1ddm h ASP 72 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ddm h ASP 72 Cb 0.34 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1ddm h ASP 72 CO 0.00 0.66 0.15 -0.08 -3.12 0.00 0.00 179.24 176.84 1ddm h GLU 73 N 0.00 0.37 0.00 3.56 4.81 -1.68 -2.56 114.58 119.08 1ddm h GLU 73 Ca -0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ddm h GLU 73 Cb 1.50 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1ddm h GLU 73 CO 0.09 0.32 -0.24 1.05 -0.73 0.00 0.00 179.01 179.50 1ddm h GLU 74 N 0.32 0.00 -0.15 1.92 -0.00 -1.82 -3.35 114.58 111.49 1ddm h GLU 74 Ca 0.09 0.00 0.05 0.00 -0.00 0.00 0.00 59.36 59.50 1ddm h GLU 74 Cb 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 28.76 1ddm h GLU 74 CO -0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 179.01 178.81 1ddm h ALA 75 N 2.41 -0.11 -0.60 1.06 0.00 -1.01 -0.51 119.26 120.50 1ddm h ALA 75 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ddm h ALA 75 Cb 0.80 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1ddm h ALA 75 CO 0.00 -0.64 0.35 0.28 0.00 0.00 0.00 179.25 179.25 1ddm h VAL 76 N -0.23 1.18 -0.75 0.00 2.07 -1.69 -1.69 116.25 115.14 1ddm h VAL 76 Ca 0.10 -0.42 0.12 0.00 0.82 0.00 0.00 66.70 67.33 1ddm h VAL 76 Cb 0.38 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1ddm h VAL 76 CO -0.28 0.19 0.50 0.03 0.02 0.00 0.00 177.57 178.03 1ddm h ARG 77 N 0.81 0.53 0.00 1.57 3.08 -1.56 -2.87 114.38 115.94 1ddm h ARG 77 Ca 0.21 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1ddm h ARG 77 Cb -0.00 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1ddm h ARG 77 CO -0.04 0.35 0.00 0.43 -1.07 0.00 0.00 179.97 179.64 1ddm n SER 78 N -4.50 0.00 0.00 7.04 7.64 -0.26 -4.88 113.62 118.67 1ddm n SER 78 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1ddm n SER 78 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.83 -4.62 120.51 108.49 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 -0.35 0.00 0.00 -1.32 -1.04 -4.41 115.64 108.52 1ddm s THR 80 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1ddm s THR 80 Cb 0.00 -0.40 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 1ddm s THR 80 CO 0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 1ddm n SER 82 N 0.00 -0.69 -0.83 0.00 7.64 -1.26 -2.37 113.62 116.11 1ddm n SER 82 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ddm n SER 82 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.79 -1.61 1.43 3.72 -0.97 -4.87 117.46 114.37 1ddm n PHE 83 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1ddm n PHE 83 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.92 1.27 -1.60 4.37 7.64 -1.26 -1.36 113.62 121.76 1ddm n SER 84 Ca 0.00 1.06 -0.04 0.00 1.01 0.00 0.00 58.87 60.90 1ddm n SER 84 Cb 0.00 -1.34 -0.01 0.00 -1.01 0.00 0.00 64.21 61.84 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 -0.37 0.00 -3.43 0.44 0.24 -0.96 -2.73 118.33 111.52 1ddm n VAL 85 Ca 0.09 -0.47 -0.26 0.00 -2.04 0.00 0.00 64.34 61.67 1ddm n VAL 85 Cb 0.38 0.21 -0.11 0.00 -1.47 0.00 0.00 33.84 32.85 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 -2.27 0.57 -0.31 7.34 1.02 -0.42 -2.20 119.74 123.47 1ddm s LYS 86 Ca 0.06 -1.21 -0.29 0.00 0.02 0.00 0.00 55.97 54.56 1ddm s LYS 86 Cb 0.00 -1.14 -0.07 0.00 -0.52 0.00 0.00 37.83 36.11 1ddm s LYS 86 CO 0.05 -1.21 2.27 0.98 -0.92 0.00 0.00 175.35 176.52 1ddm n TYR 87 N 4.08 1.77 0.23 3.18 9.36 -0.79 -2.93 117.16 132.05 1ddm n TYR 87 Ca 0.12 -0.01 -0.10 0.00 3.32 0.00 0.00 57.90 61.23 1ddm n TYR 87 Cb 0.39 -2.68 -0.05 0.00 -0.63 0.00 0.00 39.34 36.38 1ddm n TYR 87 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1ddm h LEU 88 N 15.67 -0.54 0.00 2.98 -0.00 -1.59 -1.45 115.31 130.39 1ddm h LEU 88 Ca -0.35 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 1ddm h LEU 88 Cb 1.26 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 42.06 1ddm h LEU 88 CO 1.02 -0.15 0.00 0.61 -0.00 0.00 0.00 178.44 179.92 1ddm n GLY 89 N 0.09 -0.61 3.31 0.83 0.00 -1.25 -3.43 105.19 104.14 1ddm n GLY 89 Ca -0.08 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 1.27 0.71 -0.15 0.00 -7.23 -0.93 -5.04 120.40 109.04 1ddm s VAL 91 Ca -0.08 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.02 1ddm s VAL 91 Cb -0.07 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1ddm s VAL 91 CO -0.12 -0.44 0.12 -1.83 -0.31 0.00 0.00 175.10 172.52 1ddm s GLU 92 N -3.91 3.66 -0.00 4.82 -1.05 -1.26 -1.46 118.70 119.49 1ddm s GLU 92 Ca 0.25 -0.20 -0.00 0.00 -0.15 0.00 0.00 54.97 54.87 1ddm s GLU 92 Cb 0.06 -3.23 0.00 0.00 -0.44 0.00 0.00 34.13 30.53 1ddm s GLU 92 CO 0.05 0.60 0.01 0.14 0.95 0.00 0.00 175.26 177.00 1ddm s VAL 93 N -0.51 0.00 -1.01 1.83 -7.23 -1.05 -4.90 120.40 107.53 1ddm s VAL 93 Ca 0.12 -0.03 -0.02 0.00 -1.81 0.00 0.00 61.98 60.24 1ddm s VAL 93 Cb -0.12 -0.03 0.31 0.00 0.56 0.00 0.00 36.38 37.10 1ddm s VAL 93 CO 0.02 -0.02 1.57 0.49 -0.31 0.00 0.00 175.10 176.85 1ddm n PHE 94 N 3.02 2.64 0.00 2.82 3.72 -1.26 -4.52 117.46 123.88 1ddm n PHE 94 Ca -0.12 -2.72 0.00 0.00 -0.05 0.00 0.00 57.45 54.55 1ddm n PHE 94 Cb 0.60 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 1ddm n PHE 94 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1ddm n GLU 95 N 0.58 0.00 -3.99 -1.08 1.02 -1.26 -5.04 120.64 110.87 1ddm n GLU 95 Ca 0.36 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.22 1ddm n GLU 95 Cb 0.31 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.71 1ddm n GLU 95 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ddm n SER 96 N -0.82 -1.58 -2.98 1.62 3.41 -1.26 -4.92 113.62 107.09 1ddm n SER 96 Ca 0.00 -0.96 -0.16 0.00 -0.26 0.00 0.00 58.87 57.49 1ddm n SER 96 Cb 0.00 -3.18 -0.01 0.00 -0.26 0.00 0.00 64.21 60.76 1ddm n SER 96 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1ddm n ARG 97 N -4.42 0.72 0.00 4.33 1.85 -1.26 -5.04 116.66 112.84 1ddm n ARG 97 Ca -0.18 -2.49 0.00 0.00 -1.00 0.00 0.00 57.85 54.17 1ddm n ARG 97 Cb 0.62 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.68 1ddm n ARG 97 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ddm n GLY 98 N 1.63 0.78 0.24 2.89 0.00 -1.26 -4.92 105.19 104.55 1ddm n GLY 98 Ca 0.16 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.79 0.71 -0.07 1.61 0.00 -1.26 -4.18 117.12 112.15 1ddm n MET 99 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 57.70 57.24 1ddm n MET 99 Cb 0.00 -1.47 0.10 0.00 0.00 0.00 0.00 33.22 31.85 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 -0.76 1.31 0.20 3.17 6.02 -1.26 -3.54 117.38 122.52 1ddm n GLN 100 Ca 0.06 -0.48 0.12 0.00 -0.01 0.00 0.00 57.00 56.70 1ddm n GLN 100 Cb 0.39 -1.12 0.20 0.00 1.02 0.00 0.00 30.24 30.72 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 0.79 0.00 0.15 5.09 2.07 -1.95 -3.28 116.25 119.13 1ddm h VAL 101 Ca 0.00 -0.94 -0.31 0.00 0.82 0.00 0.00 66.70 66.27 1ddm h VAL 101 Cb 0.18 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1ddm h VAL 101 CO 0.00 0.00 -1.51 0.00 0.02 0.00 0.00 177.57 176.08 1ddm n GLU 103 N -3.53 0.16 0.02 0.00 0.00 -1.23 -1.98 120.64 114.07 1ddm n GLU 103 Ca -0.16 0.17 -0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ddm n GLU 103 Cb 1.05 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.99 1ddm n GLU 103 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ddm n GLU 104 N -1.25 0.01 0.15 5.31 -0.58 -1.23 -4.55 120.64 118.50 1ddm n GLU 104 Ca 0.05 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.66 1ddm n GLU 104 Cb 0.07 -0.52 -0.07 0.00 -0.57 0.00 0.00 31.44 30.35 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 -0.02 -0.39 -0.80 0.62 0.00 -1.25 -1.80 119.26 115.63 1ddm h ALA 105 Ca -0.01 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1ddm h ALA 105 Cb 0.65 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1ddm h ALA 105 CO -0.01 -0.74 0.52 1.25 0.00 0.00 0.00 179.25 180.28 1ddm h LEU 106 N -0.41 0.62 -0.94 0.00 5.85 -1.60 -0.12 115.31 118.70 1ddm h LEU 106 Ca -0.00 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1ddm h LEU 106 Cb 0.38 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1ddm h LEU 106 CO -0.03 0.35 0.21 0.50 -0.34 0.00 0.00 178.44 179.13 1ddm h LYS 107 N 0.68 0.98 -0.40 1.25 1.63 -1.55 -1.95 116.57 117.20 1ddm h LYS 107 Ca 0.38 -0.19 -0.02 0.00 -0.85 0.00 0.00 60.65 59.97 1ddm h LYS 107 Cb 0.55 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 1ddm h LYS 107 CO -0.15 0.84 0.19 0.28 -3.45 0.00 0.00 179.45 177.15 1ddm h VAL 108 N 0.95 1.18 -0.68 2.00 2.07 -0.21 -0.25 116.25 121.31 1ddm h VAL 108 Ca 0.21 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1ddm h VAL 108 Cb 0.26 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1ddm h VAL 108 CO -0.01 0.20 0.35 -0.07 0.02 0.00 0.00 177.57 178.05 1ddm h LEU 109 N 0.51 0.86 -0.96 2.57 3.38 -1.17 0.23 115.31 120.74 1ddm h LEU 109 Ca 0.14 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1ddm h LEU 109 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1ddm h LEU 109 CO -0.02 0.72 -0.49 -0.09 0.09 0.00 0.00 178.44 178.65 1ddm h ARG 110 N 0.96 0.00 -0.17 1.13 1.12 -0.97 -2.76 114.38 113.69 1ddm h ARG 110 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.11 1ddm h ARG 110 Cb 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 1ddm h ARG 110 CO -0.03 0.49 0.00 1.04 -3.11 0.00 0.00 179.97 178.35 1ddm n GLN 111 N -3.81 2.14 -0.45 0.20 6.02 -0.14 -4.93 117.38 116.41 1ddm n GLN 111 Ca -0.01 -1.69 0.00 0.00 -0.01 0.00 0.00 57.00 55.29 1ddm n GLN 111 Cb 0.53 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.32 1ddm n GLN 111 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ddm n SER 112 N 0.97 0.97 -1.45 1.08 2.88 0.72 -5.02 113.62 113.77 1ddm n SER 112 Ca 0.17 -0.30 0.07 0.00 -1.33 0.00 0.00 58.87 57.48 1ddm n SER 112 Cb 0.50 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.27 1ddm n SER 112 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ddm n ARG 113 N -0.16 3.53 -1.92 -1.46 0.00 -1.26 -4.90 116.66 110.49 1ddm n ARG 113 Ca 0.00 -2.47 -0.39 0.00 -0.00 0.00 0.00 57.85 54.99 1ddm n ARG 113 Cb 0.00 -1.88 -0.03 0.00 -0.00 0.00 0.00 32.46 30.55 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 -1.95 2.62 0.01 2.89 1.81 -1.25 -4.95 118.95 118.14 1ddm s ARG 114 Ca 0.44 0.95 -0.30 0.00 -1.72 0.00 0.00 55.73 55.09 1ddm s ARG 114 Cb 0.29 -4.40 -0.05 0.00 -0.45 0.00 0.00 34.95 30.34 1ddm s ARG 114 CO 0.19 -2.71 1.28 0.50 -0.68 0.00 0.00 175.30 173.88 1ddm s ARG 115 N 7.09 4.35 0.52 3.54 6.06 -1.22 -4.78 118.95 134.51 1ddm s ARG 115 Ca 0.77 1.83 -0.17 0.00 -2.50 0.00 0.00 55.73 55.66 1ddm s ARG 115 Cb -0.16 -3.48 -0.07 0.00 0.06 0.00 0.00 34.95 31.30 1ddm s ARG 115 CO 0.24 -0.44 1.00 -1.25 -2.50 0.00 0.00 175.30 172.35 1ddm s PRO 116 N 1.90 3.84 -0.11 5.12 0.04 -1.25 -4.55 135.00 139.98 1ddm s PRO 116 Ca 0.60 1.03 -0.00 0.00 0.04 0.00 0.00 61.00 62.67 1ddm s PRO 116 Cb -0.29 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.16 1ddm s PRO 116 CO 0.26 -0.36 -0.08 0.08 0.04 0.00 0.00 177.00 176.93 1ddm s VAL 117 N -2.53 1.03 -0.47 -0.36 1.01 -0.54 -4.88 120.40 113.66 1ddm s VAL 117 Ca 0.60 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 1ddm s VAL 117 Cb -0.11 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1ddm s VAL 117 CO 0.30 0.36 1.26 -0.60 0.00 0.00 0.00 175.10 176.43 1ddm s ARG 118 N 1.55 3.62 0.00 2.72 3.52 -1.26 -1.89 118.95 127.21 1ddm s ARG 118 Ca 0.02 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 1ddm s ARG 118 Cb -0.13 -3.97 0.00 0.00 -1.56 0.00 0.00 34.95 29.29 1ddm s ARG 118 CO -0.07 -1.51 0.00 0.41 -0.81 0.00 0.00 175.30 173.32 1ddm n GLY 119 N 4.98 5.39 2.98 8.12 0.00 -0.93 -1.85 105.19 123.89 1ddm n GLY 119 Ca 0.13 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.65 1ddm n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ddm s LEU 120 N 0.00 1.49 -0.32 0.99 1.98 0.15 -2.27 118.68 120.71 1ddm s LEU 120 Ca 0.00 -0.30 -0.11 0.00 -2.89 0.00 0.00 54.13 50.83 1ddm s LEU 120 Cb 0.00 -0.84 -0.02 0.00 0.66 0.00 0.00 46.19 45.99 1ddm s LEU 120 CO 0.00 -0.02 0.19 -0.22 -1.89 0.00 0.00 176.35 174.40 1ddm s LEU 121 N 1.05 4.23 -0.64 -0.68 2.96 -0.46 -1.74 118.68 123.39 1ddm s LEU 121 Ca -0.07 -0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 53.35 1ddm s LEU 121 Cb -0.15 -2.06 0.17 0.00 0.50 0.00 0.00 46.19 44.65 1ddm s LEU 121 CO -0.01 -0.19 0.51 -1.00 -1.32 0.00 0.00 176.35 174.35 1ddm s HIS 122 N 1.67 3.52 -0.64 5.38 3.76 -0.45 -2.28 115.29 126.26 1ddm s HIS 122 Ca 0.06 -2.26 -0.26 0.00 -0.15 0.00 0.00 55.06 52.45 1ddm s HIS 122 Cb -0.17 -3.47 -0.10 0.00 1.11 0.00 0.00 32.58 29.95 1ddm s HIS 122 CO 0.08 -0.93 2.38 0.08 -0.85 0.00 0.00 174.74 175.50 1ddm s VAL 123 N 0.41 3.03 -0.15 -0.90 1.01 -1.00 -3.25 120.40 119.56 1ddm s VAL 123 Ca 0.14 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 1ddm s VAL 123 Cb -0.19 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1ddm s VAL 123 CO -0.04 -0.08 0.36 -0.94 0.00 0.00 0.00 175.10 174.40 1ddm s SER 124 N 11.38 6.52 0.00 3.32 1.04 -1.26 -1.91 113.70 132.78 1ddm s SER 124 Ca 0.93 0.61 0.04 0.00 0.48 0.00 0.00 55.95 58.01 1ddm s SER 124 Cb -0.15 -2.22 0.23 0.00 0.10 0.00 0.00 66.02 63.98 1ddm s SER 124 CO 0.17 0.05 0.58 0.61 0.98 0.00 0.00 173.24 175.64 1ddm n GLY 125 N 3.39 -0.25 1.08 7.32 0.00 -1.08 -1.57 105.19 114.07 1ddm n GLY 125 Ca -0.10 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.74 1.06 0.00 1.61 5.75 -1.26 -4.73 116.55 118.24 1ddm n ASP 126 Ca 0.03 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 1ddm n ASP 126 Cb 0.01 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 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 -0.02 2.65 3.73 6.12 0.00 -0.61 -4.82 105.19 112.24 1ddm n GLY 127 Ca 0.08 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 3.54 0.02 0.99 1.43 -1.20 -4.25 118.68 119.21 1ddm s LEU 128 Ca 0.00 2.55 -0.04 0.00 -1.03 0.00 0.00 54.13 55.61 1ddm s LEU 128 Cb 0.00 -4.61 -0.01 0.00 0.03 0.00 0.00 46.19 41.60 1ddm s LEU 128 CO 0.00 -1.99 0.06 -0.60 0.23 0.00 0.00 176.35 174.05 1ddm s ARG 129 N -3.46 0.46 -0.17 1.70 3.52 -1.20 -3.44 118.95 116.36 1ddm s ARG 129 Ca 0.81 -0.59 -0.05 0.00 -0.13 0.00 0.00 55.73 55.76 1ddm s ARG 129 Cb -0.35 0.18 0.06 0.00 -1.56 0.00 0.00 34.95 33.28 1ddm s ARG 129 CO 0.40 -0.10 0.11 0.08 -0.81 0.00 0.00 175.30 174.98 1ddm s VAL 130 N -1.82 -0.14 -0.21 7.11 1.01 0.10 -1.34 120.40 125.11 1ddm s VAL 130 Ca -0.12 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 1ddm s VAL 130 Cb -0.06 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1ddm s VAL 130 CO -0.01 -0.23 0.07 -0.69 0.00 0.00 0.00 175.10 174.24 1ddm s VAL 131 N 2.18 4.68 0.67 2.92 1.01 -0.71 -2.27 120.40 128.89 1ddm s VAL 131 Ca 0.03 -0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 1ddm s VAL 131 Cb -0.16 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1ddm s VAL 131 CO -0.09 0.41 0.82 -0.67 0.00 0.00 0.00 175.10 175.57 1ddm n ASP 132 N 4.04 0.02 -0.99 3.32 -0.08 -1.26 -0.67 116.55 120.92 1ddm n ASP 132 Ca -0.16 0.70 0.09 0.00 -1.51 0.00 0.00 54.79 53.90 1ddm n ASP 132 Cb 0.52 -1.33 0.22 0.00 2.34 0.00 0.00 41.12 42.87 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 -0.87 3.36 0.00 1.67 2.03 -0.77 -1.82 116.55 120.14 1ddm n ASP 133 Ca 0.13 -1.96 0.00 0.00 0.52 0.00 0.00 54.79 53.47 1ddm n ASP 133 Cb 0.49 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1ddm n ASP 133 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ddm n GLU 134 N 1.13 1.09 0.00 -0.67 1.02 -1.26 -4.80 120.64 117.15 1ddm n GLU 134 Ca 0.18 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1ddm n GLU 134 Cb 0.52 -0.52 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ddm n GLU 134 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ddm n THR 135 N -0.19 0.00 -3.51 2.62 -1.04 -1.26 -5.03 114.28 105.86 1ddm n THR 135 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 1ddm n THR 135 Cb 0.08 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.60 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 -0.07 -4.24 0.00 -2.82 4.76 -0.76 -4.94 118.16 110.10 1ddm n LYS 136 Ca 0.00 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 1ddm n LYS 136 Cb 0.00 -5.36 0.00 0.00 -1.84 0.00 0.00 35.03 27.83 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 -1.39 0.88 3.39 0.72 0.00 -1.26 -4.76 105.19 102.77 1ddm n GLY 137 Ca -0.01 0.00 0.02 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 -0.59 -0.09 0.99 2.96 -1.26 -4.51 118.68 116.18 1ddm s LEU 138 Ca 0.00 0.79 -0.04 0.00 -0.22 0.00 0.00 54.13 54.65 1ddm s LEU 138 Cb 0.00 1.67 -0.04 0.00 0.50 0.00 0.00 46.19 48.32 1ddm s LEU 138 CO 0.00 -0.11 -0.11 2.30 -1.32 0.00 0.00 176.35 177.10 1ddm n ILE 139 N 5.01 0.48 -3.86 6.68 -5.35 -0.96 -4.96 119.36 116.40 1ddm n ILE 139 Ca -0.09 -0.12 -0.35 0.00 -0.27 0.00 0.00 62.75 61.92 1ddm n ILE 139 Cb 0.52 -1.60 -0.13 0.00 -1.74 0.00 0.00 39.64 36.70 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 -2.16 3.09 -0.27 7.28 1.01 -1.23 -4.94 120.40 123.18 1ddm s VAL 140 Ca -0.12 -1.70 0.09 0.00 0.00 0.00 0.00 61.98 60.25 1ddm s VAL 140 Cb 0.05 -2.94 0.45 0.00 0.00 0.00 0.00 36.38 33.93 1ddm s VAL 140 CO 0.15 -0.37 1.26 -0.67 0.00 0.00 0.00 175.10 175.48 1ddm n ASP 141 N 4.59 3.27 -2.67 3.32 2.03 -1.26 -0.72 116.55 125.11 1ddm n ASP 141 Ca -0.08 -3.83 0.00 0.00 0.52 0.00 0.00 54.79 51.40 1ddm n ASP 141 Cb 0.43 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 -0.95 -0.11 -3.91 -0.67 1.13 -1.22 -4.94 117.38 106.71 1ddm n GLN 142 Ca 0.32 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.29 1ddm n GLN 142 Cb 0.84 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 31.10 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 -0.66 0.13 0.04 5.09 2.01 -1.26 -3.26 115.64 117.72 1ddm s THR 143 Ca 0.00 -1.06 -0.26 0.00 0.31 0.00 0.00 61.69 60.67 1ddm s THR 143 Cb 0.00 -0.92 -0.17 0.00 0.01 0.00 0.00 72.50 71.42 1ddm s THR 143 CO 0.00 -0.59 1.43 0.40 -0.69 0.00 0.00 174.62 175.18 1ddm h ILE 144 N 3.59 0.73 0.00 1.82 2.04 -1.87 -1.40 117.51 122.41 1ddm h ILE 144 Ca -0.32 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1ddm h ILE 144 Cb 1.19 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1ddm h ILE 144 CO 0.50 0.08 0.00 -1.84 0.00 0.00 0.00 178.15 176.89 1ddm n GLU 145 N -5.18 0.04 -0.09 2.37 0.28 -1.26 -3.00 120.64 113.80 1ddm n GLU 145 Ca -0.10 0.25 -0.17 0.00 -0.16 0.00 0.00 57.16 56.99 1ddm n GLU 145 Cb 0.24 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.50 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 0.00 -6.98 3.44 3.64 -1.85 -3.47 116.57 111.35 1ddm h LYS 146 Ca 0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 1ddm h LYS 146 Cb 0.21 0.00 0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1ddm h LYS 146 CO 0.00 0.87 0.51 0.14 -2.27 0.00 0.00 179.45 178.70 1ddm s VAL 147 N -2.26 3.04 0.06 2.00 -7.23 -0.57 -4.89 120.40 110.55 1ddm s VAL 147 Ca -0.23 0.82 -0.22 0.00 -1.81 0.00 0.00 61.98 60.55 1ddm s VAL 147 Cb 0.02 -3.44 -0.10 0.00 0.56 0.00 0.00 36.38 33.43 1ddm s VAL 147 CO 0.57 0.03 1.34 -1.28 -0.31 0.00 0.00 175.10 175.45 1ddm h SER 148 N 2.26 -0.93 -3.67 4.85 0.87 -1.66 -3.46 113.55 111.80 1ddm h SER 148 Ca -0.49 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.19 1ddm h SER 148 Cb 1.25 0.33 -0.24 0.00 -0.44 0.00 0.00 62.40 63.29 1ddm h SER 148 CO 0.61 -0.38 0.40 0.72 -0.53 0.00 0.00 176.83 177.65 1ddm s PHE 149 N -4.73 -0.52 0.86 2.24 -0.12 -1.26 -5.08 117.98 109.38 1ddm s PHE 149 Ca -0.11 1.18 -0.12 0.00 -0.05 0.00 0.00 56.93 57.84 1ddm s PHE 149 Cb 0.03 0.37 0.11 0.00 -0.63 0.00 0.00 43.02 42.90 1ddm s PHE 149 CO 0.37 -0.31 1.10 0.00 -0.05 0.00 0.00 175.22 176.33 1ddm s ALA 151 N -3.02 -3.39 0.00 0.00 0.00 -1.20 -4.82 121.76 109.33 1ddm s ALA 151 Ca 0.62 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1ddm s ALA 151 Cb -0.17 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1ddm s ALA 151 CO 0.56 -1.93 0.00 -0.35 0.00 0.00 0.00 175.76 174.04 1ddm n PRO 152 N 5.25 0.00 -0.68 0.00 -0.04 -1.26 -2.13 135.00 136.14 1ddm n PRO 152 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ddm n PRO 152 Cb 0.56 -0.28 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 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 0.00 0.00 3.54 5.75 -1.25 -4.03 116.55 120.56 1ddm n ASP 153 Ca 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 54.79 54.38 1ddm n ASP 153 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.00 -2.49 0.11 5.12 -1.26 -5.00 116.66 113.14 1ddm n ARG 154 Ca 0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 1ddm n ARG 154 Cb 0.00 -0.31 -0.00 0.00 -1.16 0.00 0.00 32.46 30.99 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 -0.34 -1.02 0.00 0.55 4.05 -1.26 -4.98 115.26 112.26 1ddm n ASN 155 Ca 0.00 -1.61 0.00 0.00 0.45 0.00 0.00 54.58 53.42 1ddm n ASN 155 Cb 0.00 0.85 0.00 0.00 1.23 0.00 0.00 39.78 41.86 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 -0.48 0.00 0.06 1.20 -0.00 -1.26 -4.96 115.22 109.78 1ddm n HIS 156 Ca -0.22 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 57.83 1ddm n HIS 156 Cb 0.64 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.38 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 0.15 -0.54 1.57 4.39 -1.97 -3.47 114.58 114.71 1ddm h GLU 157 Ca 0.00 -0.26 -0.21 0.00 0.34 0.00 0.00 59.36 59.23 1ddm h GLU 157 Cb 0.00 0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 28.66 1ddm h GLU 157 CO 0.00 1.03 -0.19 0.54 -1.16 0.00 0.00 179.01 179.23 1ddm n ARG 158 N -3.39 -1.71 -4.31 2.33 1.74 -1.26 -4.94 116.66 105.12 1ddm n ARG 158 Ca -0.10 0.84 -0.25 0.00 -0.77 0.00 0.00 57.85 57.57 1ddm n ARG 158 Cb 1.01 -5.22 -0.09 0.00 -1.02 0.00 0.00 32.46 27.14 1ddm n ARG 158 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ddm s GLY 159 N -2.31 1.72 0.13 -0.13 0.00 -1.26 -3.27 107.32 102.20 1ddm s GLY 159 Ca 0.00 -1.57 0.05 0.00 0.00 0.00 0.00 44.72 43.20 1ddm s GLY 159 CO 0.00 -1.61 -0.12 -1.36 0.00 0.00 0.00 173.10 170.01 1ddm s PHE 160 N -1.98 1.31 -0.18 1.90 0.08 -0.66 -3.76 117.98 114.70 1ddm s PHE 160 Ca 0.27 -0.65 -0.15 0.00 0.12 0.00 0.00 56.93 56.53 1ddm s PHE 160 Cb -0.08 -0.67 0.05 0.00 -0.57 0.00 0.00 43.02 41.75 1ddm s PHE 160 CO 0.17 0.11 0.46 -1.12 -0.10 0.00 0.00 175.22 174.74 1ddm s SER 161 N -2.79 -0.50 0.02 1.36 0.01 -0.91 -1.75 113.70 109.15 1ddm s SER 161 Ca 0.12 0.94 0.06 0.00 1.31 0.00 0.00 55.95 58.38 1ddm s SER 161 Cb -0.01 0.92 -0.03 0.00 0.21 0.00 0.00 66.02 67.11 1ddm s SER 161 CO 0.02 -0.17 -0.15 -0.72 0.41 0.00 0.00 173.24 172.63 1ddm s TYR 162 N 0.48 2.65 0.23 2.43 1.13 -0.97 -3.23 117.35 120.06 1ddm s TYR 162 Ca -0.02 -0.20 0.08 0.00 -1.41 0.00 0.00 57.07 55.52 1ddm s TYR 162 Cb -0.04 -1.51 -0.04 0.00 -1.10 0.00 0.00 41.96 39.27 1ddm s TYR 162 CO -0.02 0.27 0.06 0.42 -2.51 0.00 0.00 175.55 173.77 1ddm s ILE 163 N -0.92 3.86 -0.28 -3.49 1.09 -1.26 -1.55 121.20 118.66 1ddm s ILE 163 Ca 0.15 -1.57 -0.21 0.00 -1.10 0.00 0.00 60.65 57.92 1ddm s ILE 163 Cb -0.11 -3.03 0.08 0.00 -1.06 0.00 0.00 42.46 38.35 1ddm s ILE 163 CO 0.05 -0.26 0.75 0.00 -0.10 0.00 0.00 174.94 175.38 1ddm n ARG 165 N 3.26 3.25 0.00 0.00 1.85 -1.26 -0.95 116.66 122.81 1ddm n ARG 165 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1ddm n ARG 165 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 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 0.00 0.00 2.89 5.75 -0.94 -4.29 116.55 119.95 1ddm n ASP 166 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ddm n ASP 166 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 1.43 2.25 0.36 6.12 0.00 -1.26 -4.29 105.19 109.79 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 -1.30 0.00 0.00 0.00 173.32 172.02 1ddm n THR 168 N -2.00 0.00 0.86 2.61 -2.24 -1.26 -4.92 114.28 107.34 1ddm n THR 168 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1ddm n THR 168 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ddm n THR 168 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ddm n THR 169 N -1.57 0.03 -1.51 4.28 -1.04 -1.26 -4.95 114.28 108.25 1ddm n THR 169 Ca 0.00 -0.07 -0.17 0.00 -2.04 0.00 0.00 64.05 61.76 1ddm n THR 169 Cb 0.00 0.60 -0.07 0.00 -1.82 0.00 0.00 70.33 69.04 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 -1.63 -1.21 -3.76 -2.82 1.74 -1.26 -4.90 116.66 102.83 1ddm n ARG 170 Ca 0.04 1.11 0.01 0.00 -0.77 0.00 0.00 57.85 58.24 1ddm n ARG 170 Cb 0.36 -5.35 0.00 0.00 -1.02 0.00 0.00 32.46 26.46 1ddm n ARG 170 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1ddm s ARG 171 N -3.48 0.56 -0.57 5.56 1.70 -1.26 -4.82 118.95 116.64 1ddm s ARG 171 Ca 0.00 -0.33 -0.24 0.00 -0.47 0.00 0.00 55.73 54.68 1ddm s ARG 171 Cb 0.00 0.18 0.04 0.00 -0.57 0.00 0.00 34.95 34.60 1ddm s ARG 171 CO 0.00 -0.26 0.97 -1.58 -1.08 0.00 0.00 175.30 173.35 1ddm s TRP 172 N -2.37 2.75 -0.02 5.89 0.51 -1.26 -2.22 118.94 122.22 1ddm s TRP 172 Ca 0.19 -0.04 0.07 0.00 -2.12 0.00 0.00 56.10 54.20 1ddm s TRP 172 Cb 0.02 -4.14 -0.02 0.00 -0.81 0.00 0.00 33.47 28.52 1ddm s TRP 172 CO -0.02 -1.42 -0.24 -1.64 -0.51 0.00 0.00 176.95 173.12 1ddm s MET 173 N 4.08 2.00 -0.00 4.98 -1.94 -0.12 -2.54 119.30 125.75 1ddm s MET 173 Ca 0.30 -0.86 0.07 0.00 -1.71 0.00 0.00 55.69 53.50 1ddm s MET 173 Cb -0.13 -1.91 -0.03 0.00 2.01 0.00 0.00 34.83 34.78 1ddm s MET 173 CO 0.19 0.50 -0.23 0.00 -0.01 0.00 0.00 175.02 175.47 1ddm s HIS 175 N -0.73 2.84 0.15 0.00 3.76 -0.59 -2.19 115.29 118.53 1ddm s HIS 175 Ca 0.11 -0.11 0.07 0.00 -0.15 0.00 0.00 55.06 54.98 1ddm s HIS 175 Cb -0.10 -1.45 -0.04 0.00 1.11 0.00 0.00 32.58 32.10 1ddm s HIS 175 CO 0.01 0.47 -0.15 0.20 -0.85 0.00 0.00 174.74 174.42 1ddm s GLY 176 N -2.45 1.20 -0.29 -2.22 0.00 -1.26 -2.29 107.32 100.01 1ddm s GLY 176 Ca 0.24 -1.42 -0.19 0.00 0.00 0.00 0.00 44.72 43.36 1ddm s GLY 176 CO 0.16 -1.48 1.05 -0.11 0.00 0.00 0.00 173.10 172.73 1ddm s PHE 177 N -2.38 -0.46 0.60 1.90 -0.71 -0.72 -1.80 117.98 114.42 1ddm s PHE 177 Ca 0.13 0.96 0.02 0.00 -1.04 0.00 0.00 56.93 57.00 1ddm s PHE 177 Cb -0.04 0.32 0.07 0.00 -1.21 0.00 0.00 43.02 42.17 1ddm s PHE 177 CO 0.04 -0.22 0.83 -0.51 -1.34 0.00 0.00 175.22 174.02 1ddm s LEU 178 N 0.97 3.18 -0.14 -1.99 1.43 -1.15 -1.65 118.68 119.33 1ddm s LEU 178 Ca -0.05 -0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 1ddm s LEU 178 Cb -0.04 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 1ddm s LEU 178 CO -0.12 -1.38 0.22 0.00 0.23 0.00 0.00 176.35 175.29 1ddm s ALA 179 N -2.85 3.71 0.11 4.21 0.00 -1.20 -1.30 121.76 124.43 1ddm s ALA 179 Ca 0.61 -0.55 0.23 0.00 0.00 0.00 0.00 51.96 52.25 1ddm s ALA 179 Cb -0.08 -2.22 0.85 0.00 0.00 0.00 0.00 23.12 21.67 1ddm s ALA 179 CO 0.40 0.29 1.80 0.00 0.00 0.00 0.00 175.76 178.24 1ddm h LYS 181 N 0.00 0.00 -5.47 0.00 1.79 -1.94 -3.50 116.57 107.45 1ddm h LYS 181 Ca -0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1ddm h LYS 181 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1ddm h LYS 181 CO 0.03 0.72 -0.80 -0.25 -1.08 0.00 0.00 179.45 178.07 1ddm n ASP 182 N -3.23 -7.60 0.00 0.86 9.92 -1.11 -4.94 116.55 110.44 1ddm n ASP 182 Ca -0.02 0.76 0.00 0.00 -0.53 0.00 0.00 54.79 55.00 1ddm n ASP 182 Cb 0.88 -4.64 0.00 0.00 -0.64 0.00 0.00 41.12 36.72 1ddm n ASP 182 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1ddm n SER 183 N 0.20 0.00 -0.37 -2.24 2.88 -1.26 -5.03 113.62 107.80 1ddm n SER 183 Ca 0.04 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.55 1ddm n SER 183 Cb 0.33 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.78 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 -0.92 0.37 0.00 0.46 0.00 -1.26 -4.88 105.19 98.96 1ddm n GLY 184 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.87 2.92 0.11 1.61 2.13 -1.26 -4.17 120.64 120.10 1ddm n GLU 185 Ca -0.04 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.90 1ddm n GLU 185 Cb 0.39 -0.69 0.12 0.00 0.27 0.00 0.00 31.44 31.53 1ddm n GLU 185 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ddm h ARG 186 N 0.00 0.00 0.00 5.31 2.47 -1.96 -3.33 114.38 116.86 1ddm h ARG 186 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ddm h ARG 186 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1ddm h ARG 186 CO 0.00 0.00 -0.76 1.28 0.56 0.00 0.00 179.97 181.05 1ddm n LEU 187 N -2.55 0.18 -0.12 3.04 4.32 -1.26 -4.27 117.00 116.35 1ddm n LEU 187 Ca 0.02 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.94 1ddm n LEU 187 Cb 0.50 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.31 1ddm n LEU 187 CO 0.37 -0.08 1.01 -1.28 -1.22 0.00 0.00 177.39 176.18 1ddm h SER 188 N 0.00 0.35 0.00 -1.43 0.87 -1.80 -0.66 113.55 110.87 1ddm h SER 188 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1ddm h SER 188 Cb 0.76 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1ddm h SER 188 CO 0.00 0.25 0.00 1.57 -0.53 0.00 0.00 176.83 178.12 1ddm n HIS 189 N -4.88 0.00 -0.13 2.24 -0.00 -1.25 -2.58 115.22 108.61 1ddm n HIS 189 Ca 0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.48 1ddm n HIS 189 Cb 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.96 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 -0.94 1.36 0.26 1.57 0.00 -0.36 -4.44 120.51 117.97 1ddm n ALA 190 Ca 0.16 -1.05 0.15 0.00 0.00 0.00 0.00 53.44 52.70 1ddm n ALA 190 Cb 0.07 0.09 0.60 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.63 0.10 0.00 0.00 3.04 -1.26 -2.84 116.25 114.65 1ddm h VAL 191 Ca -0.63 -0.67 0.00 0.00 -1.01 0.00 0.00 66.70 64.39 1ddm h VAL 191 Cb 1.67 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 32.56 1ddm h VAL 191 CO -0.30 0.04 0.00 0.61 -1.01 0.00 0.00 177.57 176.91 1ddm n GLY 192 N 0.16 -1.17 0.81 3.17 0.00 -1.07 -1.75 105.19 105.34 1ddm n GLY 192 Ca 0.01 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 3.78 -0.05 -0.76 0.00 0.00 -1.45 -3.29 119.26 117.49 1ddm h ALA 194 Ca 0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 1ddm h ALA 194 Cb 0.82 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1ddm h ALA 194 CO 0.00 0.52 0.47 0.74 0.00 0.00 0.00 179.25 180.98 1ddm h PHE 195 N -0.03 0.98 -0.76 0.00 0.04 -1.77 -1.88 116.94 113.53 1ddm h PHE 195 Ca -0.16 0.01 0.14 0.00 2.80 0.00 0.00 57.97 60.75 1ddm h PHE 195 Cb 1.76 -0.33 -0.05 0.00 2.20 0.00 0.00 35.95 39.53 1ddm h PHE 195 CO 0.15 0.65 0.50 0.00 -0.60 0.00 0.00 178.31 179.01 1ddm h ALA 196 N 1.48 2.06 0.00 2.45 0.00 -1.79 0.13 119.26 123.58 1ddm h ALA 196 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ddm h ALA 196 Cb -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ddm h ALA 196 CO -0.05 -0.26 -0.62 0.28 0.00 0.00 0.00 179.25 178.60 1ddm n VAL 197 N -4.49 0.04 0.48 0.00 0.31 -0.77 -3.84 118.33 110.05 1ddm n VAL 197 Ca 0.14 -0.04 0.12 0.00 -0.01 0.00 0.00 64.34 64.56 1ddm n VAL 197 Cb 0.50 0.33 0.23 0.00 -0.91 0.00 0.00 33.84 33.98 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 -2.40 4.22 0.24 0.00 -0.00 -0.96 -4.81 117.00 113.30 1ddm n LEU 199 Ca 0.04 -4.68 0.06 0.00 -0.00 0.00 0.00 56.01 51.43 1ddm n LEU 199 Cb 0.46 -0.24 0.55 0.00 -0.00 0.00 0.00 43.42 44.19 1ddm n LEU 199 CO 0.34 2.01 0.96 -0.08 -0.00 0.00 0.00 177.39 180.62 1ddm h GLU 200 N 2.45 0.00 -0.03 1.47 4.81 -1.72 -3.50 114.58 118.06 1ddm h GLU 200 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1ddm h GLU 200 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1ddm h GLU 200 CO 0.72 0.12 0.00 -2.13 -0.73 0.00 0.00 179.01 176.99