#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 0.20 0.00 1.57 7.50 -2.05 -2.47 115.11 119.86 1ddm h GLN 68 Ca 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.09 1ddm h GLN 68 Cb 0.00 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.50 1ddm h GLN 68 CO 0.00 0.33 -0.08 -1.49 -1.50 0.00 0.00 178.83 176.09 1ddm h TRP 69 N 0.03 0.00 0.00 2.96 4.06 -2.02 -0.04 115.95 120.94 1ddm h TRP 69 Ca 0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1ddm h TRP 69 Cb 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1ddm h TRP 69 CO -0.00 0.08 0.00 1.04 -3.56 0.00 0.00 178.44 176.00 1ddm n GLN 70 N -3.74 0.11 0.00 0.49 1.13 -0.93 -2.09 117.38 112.35 1ddm n GLN 70 Ca -0.02 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1ddm n GLN 70 Cb 0.19 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.04 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 -1.39 1.44 0.03 -1.58 0.00 -0.19 -4.71 120.51 114.11 1ddm n ALA 71 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ddm n ALA 71 Cb 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 1ddm n ALA 71 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ddm n ASP 72 N -0.62 0.78 0.01 0.00 2.03 -0.24 -3.42 116.55 115.08 1ddm n ASP 72 Ca 0.00 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1ddm n ASP 72 Cb 0.01 0.30 0.31 0.00 -0.72 0.00 0.00 41.12 41.02 1ddm n ASP 72 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1ddm h GLU 73 N 0.00 0.51 -0.00 -0.67 4.81 -1.69 -2.07 114.58 115.46 1ddm h GLU 73 Ca -0.17 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1ddm h GLU 73 Cb 1.57 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.87 1ddm h GLU 73 CO 0.04 0.53 -0.58 0.39 -0.73 0.00 0.00 179.01 178.66 1ddm n GLU 74 N -4.30 0.11 0.07 1.92 1.02 -1.26 -4.23 120.64 113.98 1ddm n GLU 74 Ca 0.01 -0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 1ddm n GLU 74 Cb 0.23 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.08 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 3.09 -0.08 -0.96 0.62 0.00 -1.39 -0.22 119.26 120.32 1ddm h ALA 75 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1ddm h ALA 75 Cb 0.51 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1ddm h ALA 75 CO 0.00 -0.54 0.60 0.28 0.00 0.00 0.00 179.25 179.59 1ddm h VAL 76 N -0.09 1.03 -0.14 0.00 2.07 -1.73 0.50 116.25 117.88 1ddm h VAL 76 Ca -0.01 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 1ddm h VAL 76 Cb 0.07 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 1ddm h VAL 76 CO 0.01 0.19 -0.17 0.03 0.02 0.00 0.00 177.57 177.65 1ddm h ARG 77 N 1.06 0.23 -0.02 1.57 3.08 -1.65 -0.73 114.38 117.92 1ddm h ARG 77 Ca 0.43 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1ddm h ARG 77 Cb 0.25 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1ddm h ARG 77 CO -0.20 0.41 0.00 0.43 -1.07 0.00 0.00 179.97 179.54 1ddm n SER 78 N -4.24 0.19 -2.82 7.04 7.64 0.07 -4.89 113.62 116.62 1ddm n SER 78 Ca -0.01 -1.38 -0.17 0.00 1.01 0.00 0.00 58.87 58.32 1ddm n SER 78 Cb 0.30 -0.01 0.06 0.00 -1.01 0.00 0.00 64.21 63.55 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 -0.70 -1.08 -2.72 -0.43 0.00 -0.29 -4.97 120.51 110.32 1ddm n ALA 79 Ca 0.16 0.24 -0.00 0.00 0.00 0.00 0.00 53.44 53.83 1ddm n ALA 79 Cb 0.10 -3.83 0.02 0.00 0.00 0.00 0.00 19.45 15.74 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 -3.25 -0.19 -0.16 0.00 -1.32 -0.65 -4.31 115.64 105.76 1ddm s THR 80 Ca 0.36 -0.09 0.17 0.00 -1.21 0.00 0.00 61.69 60.92 1ddm s THR 80 Cb -0.16 0.00 0.40 0.00 -1.51 0.00 0.00 72.50 71.23 1ddm s THR 80 CO 0.55 0.00 1.27 0.00 -2.21 0.00 0.00 174.62 174.23 1ddm n SER 82 N -1.07 1.71 -0.95 0.00 2.88 -1.25 -4.54 113.62 110.39 1ddm n SER 82 Ca 0.19 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1ddm n SER 82 Cb 0.76 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 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 -0.01 -0.89 -1.55 0.66 3.72 -1.00 -4.85 117.46 113.55 1ddm n PHE 83 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1ddm n PHE 83 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 1ddm n PHE 83 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ddm n SER 84 N -1.08 0.59 -1.44 4.37 2.88 -1.26 -1.79 113.62 115.89 1ddm n SER 84 Ca 0.00 1.08 -0.03 0.00 -1.33 0.00 0.00 58.87 58.59 1ddm n SER 84 Cb 0.00 -1.24 -0.01 0.00 -0.75 0.00 0.00 64.21 62.21 1ddm n SER 84 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1ddm n VAL 85 N -0.20 0.00 -3.15 2.46 0.24 -0.29 -1.40 118.33 115.99 1ddm n VAL 85 Ca 0.11 -0.37 -0.18 0.00 -2.04 0.00 0.00 64.34 61.86 1ddm n VAL 85 Cb 0.35 0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 32.87 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 -0.11 0.95 -1.58 7.34 5.02 -0.37 -3.89 118.16 125.52 1ddm n LYS 86 Ca 0.01 -3.25 -0.50 0.00 -2.02 0.00 0.00 58.31 52.55 1ddm n LYS 86 Cb 0.09 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.43 1ddm n LYS 86 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1ddm n TYR 87 N 0.39 1.97 -0.06 2.13 9.36 -1.22 -3.75 117.16 125.97 1ddm n TYR 87 Ca 0.23 0.15 -0.07 0.00 3.32 0.00 0.00 57.90 61.53 1ddm n TYR 87 Cb 0.65 -2.60 -0.05 0.00 -0.63 0.00 0.00 39.34 36.71 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 10.99 0.00 0.00 2.98 3.38 -1.68 -1.34 115.31 129.64 1ddm h LEU 88 Ca -0.39 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1ddm h LEU 88 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1ddm h LEU 88 CO 0.98 0.79 0.00 0.61 0.09 0.00 0.00 178.44 180.91 1ddm n GLY 89 N 1.67 -0.50 3.62 0.83 0.00 -1.23 -3.66 105.19 105.91 1ddm n GLY 89 Ca -0.07 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.02 0.85 -0.11 0.00 -7.23 0.04 -4.98 120.40 108.94 1ddm s VAL 91 Ca 0.00 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.98 1ddm s VAL 91 Cb -0.04 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1ddm s VAL 91 CO -0.01 -0.53 0.49 -1.83 -0.31 0.00 0.00 175.10 172.90 1ddm s GLU 92 N -3.86 4.34 -0.06 4.82 -1.05 -1.26 -1.24 118.70 120.39 1ddm s GLU 92 Ca 0.22 0.47 0.01 0.00 -0.15 0.00 0.00 54.97 55.53 1ddm s GLU 92 Cb 0.05 -3.43 0.02 0.00 -0.44 0.00 0.00 34.13 30.33 1ddm s GLU 92 CO 0.04 0.16 -0.08 0.14 0.95 0.00 0.00 175.26 176.46 1ddm s VAL 93 N 0.61 0.83 -1.25 1.83 -7.23 -1.20 -4.96 120.40 109.03 1ddm s VAL 93 Ca 0.27 -0.29 -0.08 0.00 -1.81 0.00 0.00 61.98 60.07 1ddm s VAL 93 Cb -0.15 -0.81 0.19 0.00 0.56 0.00 0.00 36.38 36.17 1ddm s VAL 93 CO 0.11 0.29 1.88 0.49 -0.31 0.00 0.00 175.10 177.56 1ddm n PHE 94 N 4.02 2.77 0.10 2.82 3.01 -1.26 -4.30 117.46 124.62 1ddm n PHE 94 Ca -0.23 -2.75 0.00 0.00 1.01 0.00 0.00 57.45 55.48 1ddm n PHE 94 Cb 0.51 -1.82 0.00 0.00 -0.01 0.00 0.00 39.48 38.17 1ddm n PHE 94 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1ddm n GLU 95 N 3.15 0.00 -1.67 -1.08 2.13 -1.26 -5.01 120.64 116.90 1ddm n GLU 95 Ca 0.40 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.09 1ddm n GLU 95 Cb 0.34 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.01 1ddm n GLU 95 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ddm n SER 96 N -2.88 -3.70 0.12 4.31 3.41 -1.26 -4.48 113.62 109.14 1ddm n SER 96 Ca 0.00 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1ddm n SER 96 Cb 0.00 -3.36 0.00 0.00 -0.26 0.00 0.00 64.21 60.59 1ddm n SER 96 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ddm n ARG 97 N -2.14 0.00 -1.83 4.33 1.74 -1.26 -4.96 116.66 112.53 1ddm n ARG 97 Ca -0.14 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.53 1ddm n ARG 97 Cb 0.49 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.91 1ddm n ARG 97 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ddm s GLY 98 N -3.60 2.30 -1.39 -0.13 0.00 -1.26 -2.31 107.32 100.93 1ddm s GLY 98 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.24 1ddm s GLY 98 CO 0.00 2.44 0.00 -0.13 0.00 0.00 0.00 173.10 175.41 1ddm n MET 99 N 1.92 -1.57 -0.77 2.90 0.00 -1.26 -1.05 117.12 117.28 1ddm n MET 99 Ca 0.07 0.78 0.00 0.00 -0.00 0.00 0.00 57.70 58.54 1ddm n MET 99 Cb 0.38 -5.15 0.00 0.00 0.00 0.00 0.00 33.22 28.45 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 -2.23 -0.98 -2.54 2.12 3.00 -0.98 -2.90 117.38 112.87 1ddm n GLN 100 Ca -0.15 0.24 -0.15 0.00 -0.01 0.00 0.00 57.00 56.93 1ddm n GLN 100 Cb 0.51 -4.65 -0.00 0.00 0.00 0.00 0.00 30.24 26.10 1ddm n GLN 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1ddm n VAL 101 N -2.03 -0.77 -0.01 5.09 0.31 -0.22 -4.78 118.33 115.92 1ddm n VAL 101 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1ddm n VAL 101 Cb 0.24 -2.08 -0.01 0.00 -0.91 0.00 0.00 33.84 31.09 1ddm n VAL 101 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddm n GLU 103 N -2.97 0.30 0.03 0.00 -0.58 -1.25 -2.36 120.64 113.81 1ddm n GLU 103 Ca -0.05 0.09 -0.01 0.00 -0.42 0.00 0.00 57.16 56.77 1ddm n GLU 103 Cb 0.54 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.90 1ddm n GLU 103 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1ddm n GLU 104 N -1.17 0.05 0.04 3.49 2.13 -1.26 -4.62 120.64 119.30 1ddm n GLU 104 Ca 0.08 0.02 -0.11 0.00 0.66 0.00 0.00 57.16 57.82 1ddm n GLU 104 Cb 0.09 -0.58 -0.04 0.00 0.27 0.00 0.00 31.44 31.17 1ddm n GLU 104 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ddm h ALA 105 N -0.09 -0.25 -0.98 4.31 0.00 -1.71 -1.36 119.26 119.18 1ddm h ALA 105 Ca -0.02 0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.15 1ddm h ALA 105 Cb 0.32 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1ddm h ALA 105 CO -0.01 -0.70 0.66 1.25 0.00 0.00 0.00 179.25 180.45 1ddm h LEU 106 N -0.32 0.34 -0.66 0.00 5.85 -1.71 0.29 115.31 119.09 1ddm h LEU 106 Ca 0.07 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 1ddm h LEU 106 Cb 0.42 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1ddm h LEU 106 CO -0.22 0.10 -0.14 0.50 -0.34 0.00 0.00 178.44 178.34 1ddm h LYS 107 N 0.32 0.90 -0.25 1.25 3.64 -1.46 -1.65 116.57 119.31 1ddm h LYS 107 Ca 0.52 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1ddm h LYS 107 Cb 1.47 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 1ddm h LYS 107 CO -0.19 0.98 0.09 0.28 -2.27 0.00 0.00 179.45 178.34 1ddm h VAL 108 N 0.80 1.18 0.00 2.00 2.07 -0.06 0.14 116.25 122.37 1ddm h VAL 108 Ca 0.12 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ddm h VAL 108 Cb 0.67 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1ddm h VAL 108 CO 0.05 0.19 0.00 -0.07 0.02 0.00 0.00 177.57 177.75 1ddm h LEU 109 N 0.25 0.00 0.00 2.57 4.07 -1.39 -2.61 115.31 118.20 1ddm h LEU 109 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1ddm h LEU 109 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1ddm h LEU 109 CO -0.01 0.00 -0.83 -1.14 -1.08 0.00 0.00 178.44 175.39 1ddm n ARG 110 N -2.90 0.07 0.00 1.13 0.63 -0.63 -4.13 116.66 110.84 1ddm n ARG 110 Ca 0.02 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1ddm n ARG 110 Cb 0.34 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.73 1ddm n ARG 110 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1ddm n GLN 111 N -1.61 0.00 -2.75 -0.14 6.02 0.45 -4.98 117.38 114.37 1ddm n GLN 111 Ca 0.04 0.41 0.01 0.00 -0.01 0.00 0.00 57.00 57.45 1ddm n GLN 111 Cb 0.36 -0.94 0.01 0.00 1.02 0.00 0.00 30.24 30.69 1ddm n GLN 111 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ddm s SER 112 N -2.63 -0.31 0.29 1.08 0.15 -1.20 -5.06 113.70 106.02 1ddm s SER 112 Ca 0.00 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1ddm s SER 112 Cb 0.00 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1ddm s SER 112 CO 0.00 -0.03 0.00 0.54 1.20 0.00 0.00 173.24 174.95 1ddm n ARG 113 N 3.48 0.00 -3.50 5.44 1.74 -1.26 -5.03 116.66 117.53 1ddm n ARG 113 Ca 0.07 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 1ddm n ARG 113 Cb 0.64 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.97 1ddm n ARG 113 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ddm s ARG 114 N -1.79 2.96 0.26 5.56 1.81 -1.26 -5.06 118.95 121.43 1ddm s ARG 114 Ca 0.00 -1.02 -0.30 0.00 -1.72 0.00 0.00 55.73 52.69 1ddm s ARG 114 Cb 0.00 -3.90 -0.11 0.00 -0.45 0.00 0.00 34.95 30.49 1ddm s ARG 114 CO 0.00 -0.72 1.55 -0.98 -0.68 0.00 0.00 175.30 174.48 1ddm s ARG 115 N 1.65 4.18 0.67 3.54 1.70 -1.24 -4.58 118.95 124.86 1ddm s ARG 115 Ca 0.04 2.47 -0.11 0.00 -0.47 0.00 0.00 55.73 57.66 1ddm s ARG 115 Cb -0.19 -3.07 -0.01 0.00 -0.57 0.00 0.00 34.95 31.11 1ddm s ARG 115 CO 0.09 -0.57 1.05 -1.25 -1.08 0.00 0.00 175.30 173.54 1ddm s PRO 116 N -0.12 3.19 0.11 3.89 0.04 -1.26 -4.46 135.00 136.37 1ddm s PRO 116 Ca 0.64 0.75 0.05 0.00 0.04 0.00 0.00 61.00 62.48 1ddm s PRO 116 Cb -0.46 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1ddm s PRO 116 CO 0.43 -0.87 -0.13 0.08 0.04 0.00 0.00 177.00 176.55 1ddm s VAL 117 N -3.17 1.21 -0.57 -0.36 1.01 -0.50 -4.94 120.40 113.07 1ddm s VAL 117 Ca 0.57 -1.61 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 1ddm s VAL 117 Cb -0.12 -1.40 0.14 0.00 0.00 0.00 0.00 36.38 35.01 1ddm s VAL 117 CO 0.54 -0.40 0.48 -0.60 0.00 0.00 0.00 175.10 175.12 1ddm s ARG 118 N -2.49 2.87 0.16 2.72 6.06 -1.26 -3.42 118.95 123.59 1ddm s ARG 118 Ca 0.06 -1.92 -0.03 0.00 -2.50 0.00 0.00 55.73 51.34 1ddm s ARG 118 Cb -0.06 -4.14 -0.03 0.00 0.06 0.00 0.00 34.95 30.78 1ddm s ARG 118 CO 0.02 -1.26 0.12 0.20 -2.50 0.00 0.00 175.30 171.89 1ddm s GLY 119 N 2.79 1.04 -0.36 8.12 0.00 -1.25 -1.88 107.32 115.77 1ddm s GLY 119 Ca 0.08 -1.44 -0.15 0.00 0.00 0.00 0.00 44.72 43.20 1ddm s GLY 119 CO -0.01 -1.28 0.36 -2.27 0.00 0.00 0.00 173.10 169.91 1ddm s LEU 120 N -3.07 4.57 0.14 0.66 1.98 0.19 -1.14 118.68 122.01 1ddm s LEU 120 Ca 0.28 -0.38 -0.26 0.00 -2.89 0.00 0.00 54.13 50.88 1ddm s LEU 120 Cb 0.06 -2.32 -0.07 0.00 0.66 0.00 0.00 46.19 44.52 1ddm s LEU 120 CO 0.05 -0.39 0.79 -0.22 -1.89 0.00 0.00 176.35 174.70 1ddm s LEU 121 N 1.99 4.56 -0.59 -0.68 2.96 -0.74 -1.72 118.68 124.46 1ddm s LEU 121 Ca 0.11 1.63 0.04 0.00 -0.22 0.00 0.00 54.13 55.69 1ddm s LEU 121 Cb -0.17 -3.31 0.15 0.00 0.50 0.00 0.00 46.19 43.36 1ddm s LEU 121 CO 0.12 0.15 0.38 -1.00 -1.32 0.00 0.00 176.35 174.68 1ddm s HIS 122 N -0.84 3.02 -0.46 5.38 3.76 -0.69 -2.37 115.29 123.10 1ddm s HIS 122 Ca 0.37 -3.08 -0.27 0.00 -0.15 0.00 0.00 55.06 51.93 1ddm s HIS 122 Cb -0.23 -2.46 -0.07 0.00 1.11 0.00 0.00 32.58 30.93 1ddm s HIS 122 CO 0.26 -0.66 2.39 0.28 -0.85 0.00 0.00 174.74 176.16 1ddm n VAL 123 N 2.57 0.01 -4.16 -0.90 0.31 -1.26 -3.58 118.33 111.32 1ddm n VAL 123 Ca 0.15 -0.69 -0.33 0.00 -0.01 0.00 0.00 64.34 63.46 1ddm n VAL 123 Cb 0.35 -2.62 -0.08 0.00 -0.91 0.00 0.00 33.84 30.58 1ddm n VAL 123 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ddm s SER 124 N 11.20 5.55 0.00 4.52 1.04 -1.26 -1.11 113.70 133.64 1ddm s SER 124 Ca 1.01 0.13 0.00 0.00 0.48 0.00 0.00 55.95 57.57 1ddm s SER 124 Cb -0.28 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.27 1ddm s SER 124 CO 0.30 0.29 0.37 0.61 0.98 0.00 0.00 173.24 175.80 1ddm n GLY 125 N 1.39 1.07 0.74 7.32 0.00 -1.19 -2.43 105.19 112.09 1ddm n GLY 125 Ca -0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 0.12 0.36 0.00 1.61 -0.08 -1.26 -4.35 116.55 112.95 1ddm n ASP 126 Ca 0.00 -2.07 0.00 0.00 -1.51 0.00 0.00 54.79 51.21 1ddm n ASP 126 Cb 0.18 -0.24 0.00 0.00 2.34 0.00 0.00 41.12 43.40 1ddm n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ddm n GLY 127 N 0.06 3.29 3.63 0.27 0.00 -1.02 -4.87 105.19 106.56 1ddm n GLY 127 Ca 0.02 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 1ddm n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ddm n LEU 128 N 0.00 3.14 -3.49 0.99 4.77 -1.25 -4.30 117.00 116.86 1ddm n LEU 128 Ca 0.00 1.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.84 1ddm n LEU 128 Cb 0.00 -1.39 -0.11 0.00 -2.33 0.00 0.00 43.42 39.58 1ddm n LEU 128 CO 0.00 -1.38 -0.14 -0.60 -1.33 0.00 0.00 177.39 173.94 1ddm s ARG 129 N -2.21 0.23 -0.17 3.23 3.52 -1.23 -3.92 118.95 118.41 1ddm s ARG 129 Ca 0.65 0.43 -0.09 0.00 -0.13 0.00 0.00 55.73 56.60 1ddm s ARG 129 Cb -0.52 -0.72 -0.05 0.00 -1.56 0.00 0.00 34.95 32.11 1ddm s ARG 129 CO 0.55 -0.57 0.13 0.08 -0.81 0.00 0.00 175.30 174.68 1ddm s VAL 130 N 2.42 5.38 -0.26 7.11 1.01 -1.19 -1.70 120.40 133.17 1ddm s VAL 130 Ca 0.07 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1ddm s VAL 130 Cb -0.15 -3.41 0.06 0.00 0.00 0.00 0.00 36.38 32.88 1ddm s VAL 130 CO -0.13 0.50 -0.08 -0.69 0.00 0.00 0.00 175.10 174.71 1ddm s VAL 131 N -0.10 1.96 0.86 2.92 1.01 -0.70 -2.30 120.40 124.05 1ddm s VAL 131 Ca 0.10 -1.56 -0.14 0.00 0.00 0.00 0.00 61.98 60.38 1ddm s VAL 131 Cb -0.11 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1ddm s VAL 131 CO 0.00 -0.11 0.55 -0.67 0.00 0.00 0.00 175.10 174.88 1ddm n ASP 132 N 4.50 -1.39 -0.40 3.32 2.03 -1.26 -0.64 116.55 122.71 1ddm n ASP 132 Ca -0.12 0.45 0.13 0.00 0.52 0.00 0.00 54.79 55.76 1ddm n ASP 132 Cb 0.43 -1.25 0.30 0.00 -0.72 0.00 0.00 41.12 39.88 1ddm n ASP 132 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ddm n ASP 133 N -1.27 1.48 -0.00 1.67 -0.08 -0.79 -2.43 116.55 115.14 1ddm n ASP 133 Ca 0.09 -1.22 -0.04 0.00 -1.51 0.00 0.00 54.79 52.10 1ddm n ASP 133 Cb 0.52 0.17 -0.01 0.00 2.34 0.00 0.00 41.12 44.14 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 -0.21 0.11 0.07 -0.67 1.02 -1.26 -4.77 120.64 114.93 1ddm n GLU 134 Ca 0.13 0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.21 1ddm n GLU 134 Cb 0.39 -0.68 -0.13 0.00 -0.02 0.00 0.00 31.44 31.00 1ddm n GLU 134 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1ddm h THR 135 N -0.19 1.58 -3.75 2.62 2.02 -1.94 -3.47 112.91 109.78 1ddm h THR 135 Ca -0.07 -3.25 -0.26 0.00 0.77 0.00 0.00 66.41 63.60 1ddm h THR 135 Cb 0.68 2.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.93 1ddm h THR 135 CO -0.04 0.92 -0.33 0.29 0.37 0.00 0.00 175.52 176.72 1ddm n LYS 136 N -3.40 -2.18 0.00 6.66 4.76 -1.02 -4.91 118.16 118.08 1ddm n LYS 136 Ca -0.04 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.03 1ddm n LYS 136 Cb 0.98 -5.24 0.00 0.00 -1.84 0.00 0.00 35.03 28.93 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 -0.82 0.93 3.33 0.72 0.00 -1.26 -4.78 105.19 103.31 1ddm n GLY 137 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.26 -0.24 0.99 2.96 -1.26 -4.71 118.68 115.16 1ddm s LEU 138 Ca 0.00 1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 54.85 1ddm s LEU 138 Cb 0.00 2.19 -0.16 0.00 0.50 0.00 0.00 46.19 48.71 1ddm s LEU 138 CO 0.00 -0.24 -0.04 -0.38 -1.32 0.00 0.00 176.35 174.37 1ddm n ILE 139 N 5.43 1.54 -3.97 6.68 5.41 -0.97 -4.85 119.36 128.62 1ddm n ILE 139 Ca -0.05 -0.23 -0.31 0.00 1.00 0.00 0.00 62.75 63.16 1ddm n ILE 139 Cb 0.50 -1.93 -0.15 0.00 -0.71 0.00 0.00 39.64 37.35 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 -2.44 1.97 -0.29 1.39 1.01 -1.26 -4.94 120.40 115.84 1ddm s VAL 140 Ca -0.33 -1.98 0.11 0.00 0.00 0.00 0.00 61.98 59.78 1ddm s VAL 140 Cb 0.10 -2.38 0.58 0.00 0.00 0.00 0.00 36.38 34.68 1ddm s VAL 140 CO 0.56 -0.48 1.58 -0.90 0.00 0.00 0.00 175.10 175.86 1ddm n ASP 141 N 4.41 3.48 -3.19 3.32 5.68 -1.26 -3.17 116.55 125.82 1ddm n ASP 141 Ca -0.01 -3.44 0.00 0.00 -0.50 0.00 0.00 54.79 50.84 1ddm n ASP 141 Cb 0.42 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1ddm n ASP 141 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ddm n GLN 142 N -0.77 1.58 -4.20 0.11 1.13 -1.25 -4.96 117.38 109.01 1ddm n GLN 142 Ca 0.35 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.29 1ddm n GLN 142 Cb 1.14 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 31.39 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 0.00 0.68 0.14 5.09 2.01 -1.26 -3.90 115.64 118.39 1ddm s THR 143 Ca 0.00 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.05 1ddm s THR 143 Cb 0.00 -1.86 -0.19 0.00 0.01 0.00 0.00 72.50 70.46 1ddm s THR 143 CO 0.00 -0.71 1.31 0.40 -0.69 0.00 0.00 174.62 174.92 1ddm h ILE 144 N 2.86 1.50 0.00 1.82 2.04 -1.91 -3.23 117.51 120.59 1ddm h ILE 144 Ca -0.36 -2.76 -0.11 0.00 1.00 0.00 0.00 64.86 62.63 1ddm h ILE 144 Cb 1.18 2.60 -0.02 0.00 -0.74 0.00 0.00 36.82 39.84 1ddm h ILE 144 CO 0.64 0.81 -0.96 -0.33 0.00 0.00 0.00 178.15 178.30 1ddm h GLU 145 N 0.11 0.00 -0.90 2.37 5.08 -1.98 -3.33 114.58 115.93 1ddm h GLU 145 Ca -0.06 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ddm h GLU 145 Cb 1.64 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.84 1ddm h GLU 145 CO 0.15 0.30 0.60 -0.22 -1.00 0.00 0.00 179.01 178.84 1ddm h LYS 146 N 0.00 1.19 -6.95 2.33 1.63 -1.96 -3.42 116.57 109.39 1ddm h LYS 146 Ca -0.08 -0.07 -0.49 0.00 -0.85 0.00 0.00 60.65 59.16 1ddm h LYS 146 Cb 1.39 -0.27 0.03 0.00 -0.60 0.00 0.00 32.23 32.79 1ddm h LYS 146 CO 0.04 0.79 0.45 0.14 -3.45 0.00 0.00 179.45 177.42 1ddm s VAL 147 N -6.12 3.47 0.15 2.00 -7.23 -1.23 -4.81 120.40 106.63 1ddm s VAL 147 Ca -0.13 1.18 -0.25 0.00 -1.81 0.00 0.00 61.98 60.97 1ddm s VAL 147 Cb 0.17 -3.64 0.01 0.00 0.56 0.00 0.00 36.38 33.48 1ddm s VAL 147 CO 0.80 0.06 1.60 -1.28 -0.31 0.00 0.00 175.10 175.97 1ddm h SER 148 N 2.61 -1.12 -2.11 4.85 0.87 -1.23 -3.44 113.55 113.98 1ddm h SER 148 Ca -0.48 0.17 0.13 0.00 -1.23 0.00 0.00 61.79 60.38 1ddm h SER 148 Cb 1.22 0.49 -0.26 0.00 -0.44 0.00 0.00 62.40 63.42 1ddm h SER 148 CO 0.63 -0.35 0.31 0.72 -0.53 0.00 0.00 176.83 177.61 1ddm s PHE 149 N -5.97 -0.64 -0.22 2.24 -0.71 -1.26 -5.06 117.98 106.36 1ddm s PHE 149 Ca -0.15 1.21 -0.29 0.00 -1.04 0.00 0.00 56.93 56.66 1ddm s PHE 149 Cb 0.12 0.38 -0.02 0.00 -1.21 0.00 0.00 43.02 42.29 1ddm s PHE 149 CO 0.66 -0.32 1.42 0.00 -1.34 0.00 0.00 175.22 175.65 1ddm s ALA 151 N 4.39 1.53 0.00 0.00 0.00 -1.11 -5.06 121.76 121.51 1ddm s ALA 151 Ca 0.62 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1ddm s ALA 151 Cb -0.22 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1ddm s ALA 151 CO 0.24 -1.47 0.05 -2.30 0.00 0.00 0.00 175.76 172.27 1ddm n PRO 152 N 4.84 0.00 -3.86 0.00 -0.02 -1.26 -3.09 135.00 131.62 1ddm n PRO 152 Ca -0.05 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.39 1ddm n PRO 152 Cb 0.44 -0.50 0.02 0.00 -0.02 0.00 0.00 33.50 33.44 1ddm n PRO 152 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1ddm s ASP 153 N -1.89 -0.01 -0.09 2.55 -4.77 -1.24 -3.90 116.67 107.32 1ddm s ASP 153 Ca 0.00 -0.74 0.19 0.00 -3.30 0.00 0.00 52.55 48.70 1ddm s ASP 153 Cb 0.00 0.57 0.36 0.00 -1.09 0.00 0.00 42.92 42.76 1ddm s ASP 153 CO 0.00 -1.12 1.16 0.54 0.70 0.00 0.00 175.17 176.44 1ddm n ARG 154 N -0.64 0.50 0.00 2.11 1.74 -1.26 -5.00 116.66 114.10 1ddm n ARG 154 Ca -0.04 -2.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.97 1ddm n ARG 154 Cb 0.60 -0.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 1ddm n ARG 154 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ddm n ASN 155 N -0.01 0.00 0.00 0.55 5.15 -1.26 -5.08 115.26 114.61 1ddm n ASN 155 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1ddm n ASN 155 Cb 0.96 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.21 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 -0.28 0.00 0.50 1.20 -0.00 -1.26 -4.97 115.22 110.41 1ddm n HIS 156 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 1ddm n HIS 156 Cb 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 29.99 30.28 1ddm n HIS 156 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1ddm n GLU 157 N 0.00 0.07 -1.80 1.57 -0.58 -1.26 -4.83 120.64 113.81 1ddm n GLU 157 Ca 0.00 0.24 -0.17 0.00 -0.42 0.00 0.00 57.16 56.81 1ddm n GLU 157 Cb 0.00 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.32 1ddm n GLU 157 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ddm n ARG 158 N -1.42 -1.55 -4.13 3.49 1.74 -1.26 -4.86 116.66 108.66 1ddm n ARG 158 Ca 0.04 0.96 -0.32 0.00 -0.77 0.00 0.00 57.85 57.77 1ddm n ARG 158 Cb 0.13 -5.39 -0.07 0.00 -1.02 0.00 0.00 32.46 26.11 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 -2.33 1.97 0.35 -0.13 0.00 -1.26 -2.75 107.32 103.17 1ddm s GLY 159 Ca 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 44.72 43.80 1ddm s GLY 159 CO 0.00 -0.90 0.02 -1.36 0.00 0.00 0.00 173.10 170.86 1ddm s PHE 160 N -1.25 2.19 -0.15 1.90 0.08 -0.34 -3.68 117.98 116.73 1ddm s PHE 160 Ca 0.25 -0.80 -0.30 0.00 0.12 0.00 0.00 56.93 56.19 1ddm s PHE 160 Cb -0.12 -1.45 0.12 0.00 -0.57 0.00 0.00 43.02 41.00 1ddm s PHE 160 CO 0.16 0.23 0.98 -1.12 -0.10 0.00 0.00 175.22 175.38 1ddm s SER 161 N -3.57 -0.37 0.04 1.36 0.01 -1.18 -2.13 113.70 107.85 1ddm s SER 161 Ca 0.35 0.37 0.03 0.00 1.31 0.00 0.00 55.95 58.01 1ddm s SER 161 Cb 0.08 0.31 -0.02 0.00 0.21 0.00 0.00 66.02 66.60 1ddm s SER 161 CO 0.16 -0.37 -0.09 -0.72 0.41 0.00 0.00 173.24 172.64 1ddm s TYR 162 N -1.30 0.74 0.10 2.43 -0.85 -0.99 -2.74 117.35 114.74 1ddm s TYR 162 Ca -0.01 -0.42 0.03 0.00 -0.52 0.00 0.00 57.07 56.15 1ddm s TYR 162 Cb -0.00 -0.44 -0.04 0.00 0.38 0.00 0.00 41.96 41.85 1ddm s TYR 162 CO 0.01 -0.05 0.14 0.42 -1.52 0.00 0.00 175.55 174.55 1ddm s ILE 163 N -1.12 4.77 -0.23 -3.49 1.09 -1.26 -1.00 121.20 119.96 1ddm s ILE 163 Ca -0.06 -0.74 -0.03 0.00 -1.10 0.00 0.00 60.65 58.71 1ddm s ILE 163 Cb -0.09 -3.35 0.10 0.00 -1.06 0.00 0.00 42.46 38.07 1ddm s ILE 163 CO 0.01 0.06 0.22 0.00 -0.10 0.00 0.00 174.94 175.13 1ddm n ARG 165 N 5.31 1.45 0.00 0.00 1.85 -1.26 -1.17 116.66 122.84 1ddm n ARG 165 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 1ddm n ARG 165 Cb 0.48 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.89 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 -0.37 0.00 2.89 5.75 -0.76 -4.05 116.55 120.01 1ddm n ASP 166 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 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 0.77 2.72 0.00 6.12 0.00 -1.26 -4.35 105.19 109.19 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 -0.39 2.61 5.66 -1.26 -4.90 114.28 114.00 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 0.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 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 -0.98 1.09 -1.04 -1.26 -4.99 114.28 107.10 1ddm n THR 169 Ca 0.00 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1ddm n THR 169 Cb 0.00 1.39 0.00 0.00 -1.82 0.00 0.00 70.33 69.90 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 -0.12 -1.69 -3.19 -2.82 5.12 -1.26 -4.82 116.66 107.88 1ddm n ARG 170 Ca 0.00 0.42 -0.00 0.00 -1.93 0.00 0.00 57.85 56.34 1ddm n ARG 170 Cb 0.10 -4.73 0.01 0.00 -1.16 0.00 0.00 32.46 26.68 1ddm n ARG 170 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1ddm n ARG 171 N 0.41 0.29 -2.60 5.56 1.85 -1.26 -4.77 116.66 116.14 1ddm n ARG 171 Ca 0.00 -0.78 -0.43 0.00 -1.00 0.00 0.00 57.85 55.64 1ddm n ARG 171 Cb 0.42 1.13 -0.02 0.00 -1.05 0.00 0.00 32.46 32.94 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 -2.89 3.27 -0.22 2.89 0.52 -1.26 -1.83 118.94 119.42 1ddm s TRP 172 Ca 0.18 1.38 -0.03 0.00 0.02 0.00 0.00 56.10 57.65 1ddm s TRP 172 Cb -0.01 -3.31 0.11 0.00 -1.15 0.00 0.00 33.47 29.10 1ddm s TRP 172 CO 0.02 -0.75 0.29 -1.64 0.02 0.00 0.00 176.95 174.88 1ddm s MET 173 N 2.82 0.26 0.27 4.98 -1.94 -0.31 -3.23 119.30 122.15 1ddm s MET 173 Ca 0.49 0.34 0.03 0.00 -1.71 0.00 0.00 55.69 54.85 1ddm s MET 173 Cb -0.18 -0.90 -0.03 0.00 2.01 0.00 0.00 34.83 35.73 1ddm s MET 173 CO 0.13 -0.65 0.42 0.00 -0.01 0.00 0.00 175.02 174.91 1ddm s HIS 175 N -2.09 1.99 0.10 0.00 3.76 -0.17 -0.78 115.29 118.11 1ddm s HIS 175 Ca 0.36 -0.38 0.07 0.00 -0.15 0.00 0.00 55.06 54.95 1ddm s HIS 175 Cb -0.09 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.32 1ddm s HIS 175 CO 0.31 0.03 -0.07 0.20 -0.85 0.00 0.00 174.74 174.36 1ddm s GLY 176 N -0.84 1.83 -0.29 -2.22 0.00 -1.13 -2.33 107.32 102.34 1ddm s GLY 176 Ca 0.09 -1.22 -0.19 0.00 0.00 0.00 0.00 44.72 43.40 1ddm s GLY 176 CO 0.00 -1.20 1.04 -0.11 0.00 0.00 0.00 173.10 172.84 1ddm s PHE 177 N -1.26 -0.47 0.43 1.90 -0.71 -0.91 -2.34 117.98 114.62 1ddm s PHE 177 Ca 0.23 1.00 0.07 0.00 -1.04 0.00 0.00 56.93 57.19 1ddm s PHE 177 Cb -0.11 0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 42.01 1ddm s PHE 177 CO 0.15 -0.23 0.30 -0.51 -1.34 0.00 0.00 175.22 173.59 1ddm s LEU 178 N 0.93 3.19 -0.16 -1.99 1.02 -1.25 -1.20 118.68 119.23 1ddm s LEU 178 Ca -0.05 -0.95 -0.16 0.00 0.02 0.00 0.00 54.13 53.00 1ddm s LEU 178 Cb -0.04 -1.69 -0.04 0.00 0.02 0.00 0.00 46.19 44.44 1ddm s LEU 178 CO -0.12 -0.66 0.38 0.00 0.02 0.00 0.00 176.35 175.96 1ddm s ALA 179 N -2.56 3.55 -1.97 4.21 0.00 -1.11 -1.24 121.76 122.64 1ddm s ALA 179 Ca 0.43 -0.41 0.29 0.00 0.00 0.00 0.00 51.96 52.28 1ddm s ALA 179 Cb -0.00 -2.54 1.73 0.00 0.00 0.00 0.00 23.12 22.31 1ddm s ALA 179 CO 0.25 -0.06 2.08 0.00 0.00 0.00 0.00 175.76 178.03 1ddm n LYS 181 N -1.02 0.64 -2.94 0.00 4.76 -1.26 -4.96 118.16 113.37 1ddm n LYS 181 Ca 0.22 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.54 1ddm n LYS 181 Cb 0.11 -1.67 0.01 0.00 -1.84 0.00 0.00 35.03 31.64 1ddm n LYS 181 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ddm n ASP 182 N -2.52 -7.51 0.00 4.39 9.92 -1.13 -4.94 116.55 114.77 1ddm n ASP 182 Ca -0.04 0.65 0.00 0.00 -0.53 0.00 0.00 54.79 54.87 1ddm n ASP 182 Cb 0.62 -4.54 0.00 0.00 -0.64 0.00 0.00 41.12 36.56 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 0.09 0.00 -1.63 -2.24 2.88 -1.26 -5.05 113.62 106.41 1ddm n SER 183 Ca 0.05 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.51 1ddm n SER 183 Cb 0.38 0.06 0.03 0.00 -0.75 0.00 0.00 64.21 63.93 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 -1.10 0.37 0.00 0.46 0.00 -1.26 -4.91 105.19 98.75 1ddm n GLY 184 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.05 0.00 0.16 1.61 1.02 -1.26 -4.23 120.64 115.90 1ddm n GLU 185 Ca -0.02 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.25 1ddm n GLU 185 Cb 0.53 -0.37 0.42 0.00 -0.02 0.00 0.00 31.44 32.00 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 -1.92 -3.27 114.38 115.15 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 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1ddm h ARG 186 CO 0.00 0.00 -0.65 1.28 0.56 0.00 0.00 179.97 181.16 1ddm n LEU 187 N -2.56 1.14 0.04 3.04 4.32 -1.26 -4.21 117.00 117.52 1ddm n LEU 187 Ca 0.04 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 56.01 1ddm n LEU 187 Cb 0.38 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.17 1ddm n LEU 187 CO 0.28 0.12 0.50 -1.28 -1.22 0.00 0.00 177.39 175.79 1ddm h SER 188 N 0.00 -0.09 -0.01 -1.43 0.87 -1.77 -0.66 113.55 110.45 1ddm h SER 188 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1ddm h SER 188 Cb 0.65 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1ddm h SER 188 CO 0.00 -0.07 0.05 -0.74 -0.53 0.00 0.00 176.83 175.54 1ddm h HIS 189 N -0.11 0.00 0.12 2.24 6.17 -1.73 -2.22 115.15 119.62 1ddm h HIS 189 Ca -0.01 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.06 1ddm h HIS 189 Cb 0.08 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.02 1ddm h HIS 189 CO 0.21 0.00 -0.06 0.00 0.71 0.00 0.00 177.93 178.79 1ddm h ALA 190 N 1.91 -0.16 -0.14 5.26 0.00 -1.59 -3.18 119.26 121.37 1ddm h ALA 190 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ddm h ALA 190 Cb 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ddm h ALA 190 CO -0.00 -0.32 0.03 0.28 0.00 0.00 0.00 179.25 179.24 1ddm h VAL 191 N -0.71 1.07 0.00 0.00 2.07 -0.54 -0.93 116.25 117.22 1ddm h VAL 191 Ca -0.02 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1ddm h VAL 191 Cb 0.53 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1ddm h VAL 191 CO 0.03 0.09 0.00 1.23 0.02 0.00 0.00 177.57 178.94 1ddm h GLY 192 N 0.34 0.00 0.00 2.17 0.00 -1.42 0.46 103.07 104.63 1ddm h GLY 192 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1ddm h GLY 192 CO -0.00 0.00 -0.93 0.00 0.00 0.00 0.00 176.54 175.61 1ddm h ALA 194 N 2.27 1.97 0.05 0.00 0.00 -0.67 -0.60 119.26 122.28 1ddm h ALA 194 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1ddm h ALA 194 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ddm h ALA 194 CO 0.00 -0.08 -1.05 0.74 0.00 0.00 0.00 179.25 178.86 1ddm h PHE 195 N 0.42 0.52 -0.25 0.00 0.04 -1.77 -2.34 116.94 113.56 1ddm h PHE 195 Ca 0.25 -0.32 0.07 0.00 2.80 0.00 0.00 57.97 60.78 1ddm h PHE 195 Cb 0.44 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1ddm h PHE 195 CO -0.00 1.17 0.26 0.00 -0.60 0.00 0.00 178.31 179.14 1ddm h ALA 196 N 0.71 1.92 0.00 2.45 0.00 -1.34 0.85 119.26 123.86 1ddm h ALA 196 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ddm h ALA 196 Cb 1.72 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1ddm h ALA 196 CO 0.17 -0.39 -1.92 0.28 0.00 0.00 0.00 179.25 177.39 1ddm n VAL 197 N -3.84 0.00 0.55 0.00 0.31 -1.07 -4.13 118.33 110.15 1ddm n VAL 197 Ca 0.03 -0.46 0.10 0.00 -0.01 0.00 0.00 64.34 64.00 1ddm n VAL 197 Cb 0.40 0.07 0.43 0.00 -0.91 0.00 0.00 33.84 33.82 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 -1.83 0.31 0.31 0.00 4.77 -0.90 -3.95 117.00 115.71 1ddm n LEU 199 Ca 0.04 -0.15 0.19 0.00 -0.03 0.00 0.00 56.01 56.05 1ddm n LEU 199 Cb 0.24 -0.06 0.97 0.00 -2.33 0.00 0.00 43.42 42.25 1ddm n LEU 199 CO 0.19 0.07 1.15 -0.08 -1.33 0.00 0.00 177.39 177.40 1ddm h GLU 200 N 0.26 0.00 -0.02 3.23 4.81 -1.77 -3.52 114.58 117.57 1ddm h GLU 200 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ddm h GLU 200 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1ddm h GLU 200 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 179.01 176.15