#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 0.12 -0.10 1.57 5.75 -2.06 -3.34 115.11 117.06 1ddm h GLN 68 Ca 0.00 -0.21 -0.05 0.00 -0.15 0.00 0.00 58.65 58.24 1ddm h GLN 68 Cb 0.00 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1ddm h GLN 68 CO 0.00 0.84 -0.16 -1.49 -2.65 0.00 0.00 178.83 175.36 1ddm h TRP 69 N 0.03 0.16 0.00 3.99 4.06 -2.01 -1.38 115.95 120.80 1ddm h TRP 69 Ca -0.31 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.62 1ddm h TRP 69 Cb 2.01 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 30.13 1ddm h TRP 69 CO 0.03 0.32 0.00 1.96 -3.56 0.00 0.00 178.44 177.19 1ddm h GLN 70 N 0.14 0.00 0.00 0.49 1.08 -2.01 0.15 115.11 114.96 1ddm h GLN 70 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1ddm h GLN 70 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1ddm h GLN 70 CO 0.02 0.00 -1.46 0.00 -0.95 0.00 0.00 178.83 176.44 1ddm n ALA 71 N -1.93 3.55 0.20 3.87 0.00 -0.56 -4.21 120.51 121.42 1ddm n ALA 71 Ca 0.00 -0.52 0.11 0.00 0.00 0.00 0.00 53.44 53.04 1ddm n ALA 71 Cb 0.21 -0.81 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 1ddm n ALA 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ddm n ASP 72 N -1.97 0.28 -0.25 0.00 9.92 -0.67 -3.72 116.55 120.14 1ddm n ASP 72 Ca -0.00 -0.13 -0.04 0.00 -0.53 0.00 0.00 54.79 54.09 1ddm n ASP 72 Cb 0.47 1.60 0.13 0.00 -0.64 0.00 0.00 41.12 42.68 1ddm n ASP 72 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1ddm h GLU 73 N 0.00 1.09 -0.00 -1.24 4.81 -0.91 -1.99 114.58 116.34 1ddm h GLU 73 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1ddm h GLU 73 Cb 0.90 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1ddm h GLU 73 CO 0.00 0.87 -0.46 0.39 -0.73 0.00 0.00 179.01 179.07 1ddm n GLU 74 N -4.30 0.45 -0.01 1.92 4.71 -1.26 -4.17 120.64 117.97 1ddm n GLU 74 Ca 0.07 -0.30 -0.12 0.00 -0.01 0.00 0.00 57.16 56.80 1ddm n GLU 74 Cb 0.16 -1.49 -0.08 0.00 -1.01 0.00 0.00 31.44 29.02 1ddm n GLU 74 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ddm h ALA 75 N 3.36 0.07 -0.59 0.62 0.00 -1.44 -0.45 119.26 120.83 1ddm h ALA 75 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ddm h ALA 75 Cb 0.53 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1ddm h ALA 75 CO 0.00 -0.26 0.33 0.28 0.00 0.00 0.00 179.25 179.60 1ddm h VAL 76 N -0.18 1.18 -0.26 0.00 2.07 -1.70 -0.49 116.25 116.87 1ddm h VAL 76 Ca 0.02 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 1ddm h VAL 76 Cb 0.31 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1ddm h VAL 76 CO 0.00 0.20 -0.20 0.03 0.02 0.00 0.00 177.57 177.62 1ddm h ARG 77 N 0.82 0.47 -0.03 1.57 3.08 -1.68 -1.53 114.38 117.08 1ddm h ARG 77 Ca 0.21 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ddm h ARG 77 Cb 0.01 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1ddm h ARG 77 CO -0.04 0.65 0.00 0.45 -1.07 0.00 0.00 179.97 179.96 1ddm n SER 78 N -4.16 0.24 -2.63 7.04 2.88 -0.20 -4.88 113.62 111.92 1ddm n SER 78 Ca -0.00 -1.65 -0.15 0.00 -1.33 0.00 0.00 58.87 55.74 1ddm n SER 78 Cb 0.37 -0.02 0.06 0.00 -0.75 0.00 0.00 64.21 63.86 1ddm n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ddm n ALA 79 N -0.54 -1.01 -2.71 -1.46 0.00 -0.61 -4.98 120.51 109.19 1ddm n ALA 79 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1ddm n ALA 79 Cb 0.08 -3.43 0.02 0.00 0.00 0.00 0.00 19.45 16.11 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 -3.23 -0.14 -0.42 0.00 -1.32 -0.31 -4.36 115.64 105.86 1ddm s THR 80 Ca 0.31 -0.04 0.04 0.00 -1.21 0.00 0.00 61.69 60.78 1ddm s THR 80 Cb -0.13 0.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.92 1ddm s THR 80 CO 0.50 0.00 0.85 0.00 -2.21 0.00 0.00 174.62 173.76 1ddm n SER 82 N 0.05 0.38 -1.21 0.00 7.64 -1.25 -4.66 113.62 114.56 1ddm n SER 82 Ca 0.03 -0.79 -0.01 0.00 1.01 0.00 0.00 58.87 59.11 1ddm n SER 82 Cb 0.20 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.64 -0.76 -1.30 1.43 3.72 -1.06 -4.79 117.46 114.05 1ddm n PHE 83 Ca 0.00 -0.24 -0.44 0.00 -0.05 0.00 0.00 57.45 56.72 1ddm n PHE 83 Cb 0.00 0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 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 -1.71 -1.64 -0.56 4.37 7.64 -1.26 -1.09 113.62 119.37 1ddm n SER 84 Ca -0.00 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1ddm n SER 84 Cb 0.07 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 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 -0.28 0.00 -2.93 0.44 0.24 -0.37 -2.44 118.33 112.99 1ddm n VAL 85 Ca 0.15 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.31 1ddm n VAL 85 Cb 0.28 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 1ddm n VAL 85 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1ddm n LYS 86 N 0.00 0.73 -1.74 7.34 4.81 0.42 -4.21 118.16 125.52 1ddm n LYS 86 Ca 0.00 -2.32 -0.42 0.00 -0.87 0.00 0.00 58.31 54.70 1ddm n LYS 86 Cb 0.00 -1.38 -0.03 0.00 0.02 0.00 0.00 35.03 33.64 1ddm n LYS 86 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1ddm s TYR 87 N 0.00 1.41 0.00 5.64 5.04 -1.25 -3.00 117.35 125.19 1ddm s TYR 87 Ca 0.33 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.64 1ddm s TYR 87 Cb 0.19 -4.18 0.00 0.00 0.35 0.00 0.00 41.96 38.33 1ddm s TYR 87 CO -0.19 -5.23 0.04 1.28 -1.34 0.00 0.00 175.55 170.11 1ddm n LEU 88 N 7.51 1.54 0.00 6.97 4.32 -1.02 -1.04 117.00 135.28 1ddm n LEU 88 Ca 0.19 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.44 1ddm n LEU 88 Cb 0.41 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1ddm n LEU 88 CO 0.67 -0.23 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 1ddm n GLY 89 N 2.12 0.36 3.60 -0.72 0.00 -1.26 -4.22 105.19 105.07 1ddm n GLY 89 Ca 0.00 0.50 -0.06 0.00 0.00 0.00 0.00 46.02 46.46 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 1.81 2.09 0.49 0.00 -7.23 -0.98 -5.01 120.40 111.57 1ddm s VAL 91 Ca -0.09 -2.18 -0.18 0.00 -1.81 0.00 0.00 61.98 57.71 1ddm s VAL 91 Cb -0.06 -2.09 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 1ddm s VAL 91 CO -0.19 -0.40 0.98 -1.83 -0.31 0.00 0.00 175.10 173.36 1ddm s GLU 92 N -3.26 3.98 0.01 4.82 -1.05 -1.26 -1.25 118.70 120.69 1ddm s GLU 92 Ca 0.23 1.06 -0.02 0.00 -0.15 0.00 0.00 54.97 56.09 1ddm s GLU 92 Cb -0.04 -2.14 -0.01 0.00 -0.44 0.00 0.00 34.13 31.50 1ddm s GLU 92 CO 0.10 -0.25 0.02 0.14 0.95 0.00 0.00 175.26 176.22 1ddm s VAL 93 N -2.41 0.10 -0.60 1.83 -7.23 -0.66 -4.76 120.40 106.67 1ddm s VAL 93 Ca 0.61 -0.85 0.05 0.00 -1.81 0.00 0.00 61.98 59.98 1ddm s VAL 93 Cb -0.11 -0.33 0.35 0.00 0.56 0.00 0.00 36.38 36.85 1ddm s VAL 93 CO 0.25 -0.47 1.03 0.33 -0.31 0.00 0.00 175.10 175.93 1ddm n PHE 94 N 1.53 3.92 0.04 2.82 -0.00 -1.26 -4.60 117.46 119.91 1ddm n PHE 94 Ca -0.24 -3.82 0.00 0.00 -0.00 0.00 0.00 57.45 53.40 1ddm n PHE 94 Cb 0.55 -0.51 0.00 0.00 -0.00 0.00 0.00 39.48 39.52 1ddm n PHE 94 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1ddm n GLU 95 N -0.26 0.00 -1.17 -4.13 1.02 -1.26 -5.01 120.64 109.83 1ddm n GLU 95 Ca 0.33 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.38 1ddm n GLU 95 Cb 0.40 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.78 1ddm n GLU 95 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ddm n SER 96 N -2.67 -4.79 -3.64 1.62 7.64 -1.26 -4.90 113.62 105.62 1ddm n SER 96 Ca 0.00 0.22 -0.21 0.00 1.01 0.00 0.00 58.87 59.89 1ddm n SER 96 Cb 0.00 -3.56 -0.17 0.00 -1.01 0.00 0.00 64.21 59.47 1ddm n SER 96 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ddm s ARG 97 N -2.57 0.00 0.00 1.43 0.52 -1.26 -5.01 118.95 112.07 1ddm s ARG 97 Ca 0.00 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 1ddm s ARG 97 Cb 0.00 -0.87 0.00 0.00 0.52 0.00 0.00 34.95 34.60 1ddm s ARG 97 CO 0.00 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 175.29 1ddm n GLY 98 N 5.30 0.38 0.01 -3.53 0.00 -1.26 -4.84 105.19 101.25 1ddm n GLY 98 Ca -0.05 -2.26 -0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.11 2.15 0.05 1.61 0.00 -1.26 -4.57 117.12 114.99 1ddm n MET 99 Ca 0.00 -0.02 0.08 0.00 -0.00 0.00 0.00 57.70 57.77 1ddm n MET 99 Cb 0.00 -1.10 0.36 0.00 0.00 0.00 0.00 33.22 32.48 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 -1.96 0.07 0.27 2.12 1.13 -1.26 -2.64 117.38 115.10 1ddm n GLN 100 Ca -0.04 0.33 0.12 0.00 -1.94 0.00 0.00 57.00 55.47 1ddm n GLN 100 Cb 0.44 -1.64 0.78 0.00 0.11 0.00 0.00 30.24 29.93 1ddm n GLN 100 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1ddm h VAL 101 N 0.00 0.73 0.20 5.09 2.07 -1.88 -2.06 116.25 120.41 1ddm h VAL 101 Ca 0.00 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.20 1ddm h VAL 101 Cb 0.27 0.98 0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1ddm h VAL 101 CO 0.00 0.00 -1.39 0.00 0.02 0.00 0.00 177.57 176.20 1ddm n GLU 103 N -3.72 0.18 -0.11 0.00 -0.58 -0.80 -1.60 120.64 114.01 1ddm n GLU 103 Ca -0.15 0.48 -0.22 0.00 -0.42 0.00 0.00 57.16 56.85 1ddm n GLU 103 Cb 1.06 -1.89 -0.08 0.00 -0.57 0.00 0.00 31.44 29.95 1ddm n GLU 103 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ddm n GLU 104 N -2.24 0.48 -0.05 3.49 1.02 -1.03 -4.43 120.64 117.88 1ddm n GLU 104 Ca 0.01 0.19 0.03 0.00 -0.02 0.00 0.00 57.16 57.37 1ddm n GLU 104 Cb 0.18 -1.32 0.37 0.00 -0.02 0.00 0.00 31.44 30.65 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 -0.62 1.62 -0.62 0.62 0.00 -1.17 -2.23 119.26 116.87 1ddm h ALA 105 Ca -0.55 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.37 1ddm h ALA 105 Cb 1.55 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1ddm h ALA 105 CO -0.28 0.34 0.35 1.25 0.00 0.00 0.00 179.25 180.91 1ddm h LEU 106 N 0.67 0.53 -0.81 0.00 5.85 -1.53 -1.39 115.31 118.64 1ddm h LEU 106 Ca 0.18 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 1ddm h LEU 106 Cb -0.05 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1ddm h LEU 106 CO -0.04 0.36 -0.39 0.50 -0.34 0.00 0.00 178.44 178.53 1ddm h LYS 107 N 0.67 0.42 -0.09 1.25 3.11 -1.63 -2.21 116.57 118.08 1ddm h LYS 107 Ca 0.27 -0.20 -0.02 0.00 -2.81 0.00 0.00 60.65 57.89 1ddm h LYS 107 Cb 0.13 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.35 1ddm h LYS 107 CO -0.16 0.75 -0.03 0.28 -2.81 0.00 0.00 179.45 177.49 1ddm h VAL 108 N 0.35 1.08 0.01 2.00 2.07 -0.79 0.16 116.25 121.13 1ddm h VAL 108 Ca 0.03 -0.32 -0.22 0.00 0.82 0.00 0.00 66.70 67.01 1ddm h VAL 108 Cb 0.85 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1ddm h VAL 108 CO 0.07 0.10 -1.04 -0.07 0.02 0.00 0.00 177.57 176.66 1ddm h LEU 109 N 0.13 0.03 0.00 2.57 3.38 -0.88 -1.62 115.31 118.92 1ddm h LEU 109 Ca 0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ddm h LEU 109 Cb 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ddm h LEU 109 CO 0.00 1.02 -0.16 0.08 0.09 0.00 0.00 178.44 179.48 1ddm h ARG 110 N 0.00 0.00 0.00 1.13 -0.00 -0.72 -2.99 114.38 111.81 1ddm h ARG 110 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 1ddm h ARG 110 Cb 1.79 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.76 1ddm h ARG 110 CO 0.13 0.12 -1.39 1.04 -0.00 0.00 0.00 179.97 179.87 1ddm n GLN 111 N -3.11 0.58 -0.42 0.08 6.02 0.46 -3.98 117.38 117.00 1ddm n GLN 111 Ca 0.03 -0.02 0.11 0.00 -0.01 0.00 0.00 57.00 57.12 1ddm n GLN 111 Cb 0.58 -1.68 0.33 0.00 1.02 0.00 0.00 30.24 30.50 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 -2.41 4.14 -2.61 1.08 7.64 -0.61 -5.01 113.62 115.84 1ddm n SER 112 Ca -0.01 -2.09 -0.23 0.00 1.01 0.00 0.00 58.87 57.55 1ddm n SER 112 Cb 0.54 -0.51 0.02 0.00 -1.01 0.00 0.00 64.21 63.25 1ddm n SER 112 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1ddm n ARG 113 N 1.55 -1.13 -0.74 1.43 0.00 -1.13 -4.82 116.66 111.82 1ddm n ARG 113 Ca 0.25 0.80 0.00 0.00 -0.00 0.00 0.00 57.85 58.90 1ddm n ARG 113 Cb 0.68 -1.21 0.27 0.00 -0.00 0.00 0.00 32.46 32.20 1ddm n ARG 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ddm n ARG 114 N -0.31 3.53 -2.50 2.89 5.12 -1.22 -4.99 116.66 119.18 1ddm n ARG 114 Ca -0.07 -2.37 -0.03 0.00 -1.93 0.00 0.00 57.85 53.46 1ddm n ARG 114 Cb 0.42 -2.04 -0.02 0.00 -1.16 0.00 0.00 32.46 29.65 1ddm n ARG 114 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ddm n ARG 115 N 0.21 -4.25 -2.63 5.56 1.74 -1.26 -4.34 116.66 111.68 1ddm n ARG 115 Ca 0.26 3.15 -0.34 0.00 -0.77 0.00 0.00 57.85 60.16 1ddm n ARG 115 Cb 1.07 -4.23 -0.05 0.00 -1.02 0.00 0.00 32.46 28.23 1ddm n ARG 115 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ddm s PRO 116 N -0.53 4.01 -0.13 5.56 0.04 -1.26 -4.63 135.00 138.06 1ddm s PRO 116 Ca -0.13 1.32 -0.05 0.00 0.04 0.00 0.00 61.00 62.18 1ddm s PRO 116 Cb 0.01 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1ddm s PRO 116 CO 0.34 -0.25 0.06 0.08 0.04 0.00 0.00 177.00 177.27 1ddm s VAL 117 N -1.97 4.81 -1.20 -0.36 1.01 -0.20 -4.96 120.40 117.53 1ddm s VAL 117 Ca 0.64 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.39 1ddm s VAL 117 Cb -0.15 -3.10 0.10 0.00 0.00 0.00 0.00 36.38 33.23 1ddm s VAL 117 CO 0.19 0.56 1.57 -0.60 0.00 0.00 0.00 175.10 176.82 1ddm s ARG 118 N -0.47 3.91 0.36 2.72 6.06 -1.26 -3.96 118.95 126.31 1ddm s ARG 118 Ca 0.10 -1.97 -0.05 0.00 -2.50 0.00 0.00 55.73 51.31 1ddm s ARG 118 Cb -0.12 -5.34 0.02 0.00 0.06 0.00 0.00 34.95 29.57 1ddm s ARG 118 CO 0.02 -2.09 0.57 0.41 -2.50 0.00 0.00 175.30 171.70 1ddm n GLY 119 N 5.35 1.80 3.53 8.12 0.00 -1.26 -1.76 105.19 120.97 1ddm n GLY 119 Ca 0.41 -1.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 1ddm n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ddm s LEU 120 N 0.00 2.79 0.07 0.99 2.34 0.54 -1.24 118.68 124.18 1ddm s LEU 120 Ca 0.25 -0.83 -0.07 0.00 0.06 0.00 0.00 54.13 53.55 1ddm s LEU 120 Cb -0.02 -1.37 -0.05 0.00 -0.56 0.00 0.00 46.19 44.19 1ddm s LEU 120 CO 0.18 0.05 0.34 -0.22 -1.06 0.00 0.00 176.35 175.64 1ddm s LEU 121 N -3.32 4.33 -0.64 1.48 2.96 -0.25 -1.12 118.68 122.13 1ddm s LEU 121 Ca 0.28 0.62 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 1ddm s LEU 121 Cb -0.06 -2.97 0.20 0.00 0.50 0.00 0.00 46.19 43.85 1ddm s LEU 121 CO 0.16 0.16 0.55 1.41 -1.32 0.00 0.00 176.35 177.30 1ddm n HIS 122 N 0.70 2.64 -1.51 5.38 8.25 0.11 -2.56 115.22 128.23 1ddm n HIS 122 Ca -0.07 -4.11 -0.43 0.00 -0.26 0.00 0.00 57.72 52.86 1ddm n HIS 122 Cb 0.52 -0.48 -0.07 0.00 1.12 0.00 0.00 29.99 31.08 1ddm n HIS 122 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ddm n VAL 123 N 1.74 0.06 -4.28 1.59 0.31 -1.26 -3.75 118.33 112.74 1ddm n VAL 123 Ca 0.24 -0.43 -0.34 0.00 -0.01 0.00 0.00 64.34 63.80 1ddm n VAL 123 Cb 0.39 -1.94 -0.13 0.00 -0.91 0.00 0.00 33.84 31.25 1ddm n VAL 123 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ddm s SER 124 N 9.59 4.55 0.29 4.52 0.15 -1.25 -1.16 113.70 130.38 1ddm s SER 124 Ca 1.10 -0.24 0.15 0.00 0.70 0.00 0.00 55.95 57.66 1ddm s SER 124 Cb -0.63 -1.75 0.82 0.00 -1.71 0.00 0.00 66.02 62.75 1ddm s SER 124 CO 0.39 0.10 1.40 0.61 1.20 0.00 0.00 173.24 176.94 1ddm n GLY 125 N 3.99 -0.69 1.62 9.45 0.00 -0.97 -0.25 105.19 118.35 1ddm n GLY 125 Ca -0.18 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.06 3.30 0.00 1.61 2.03 -1.26 -3.88 116.55 116.29 1ddm n ASP 126 Ca -0.01 -3.74 0.00 0.00 0.52 0.00 0.00 54.79 51.56 1ddm n ASP 126 Cb 0.18 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 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 -1.10 3.17 3.62 0.27 0.00 0.66 -4.84 105.19 106.96 1ddm n GLY 127 Ca 0.44 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 2.09 -0.29 0.99 1.02 -1.17 -3.91 118.68 117.41 1ddm s LEU 128 Ca 0.00 1.85 -0.20 0.00 0.02 0.00 0.00 54.13 55.80 1ddm s LEU 128 Cb 0.00 -4.09 0.14 0.00 0.02 0.00 0.00 46.19 42.26 1ddm s LEU 128 CO 0.00 -3.36 1.03 0.00 0.02 0.00 0.00 176.35 174.04 1ddm s ARG 129 N -4.64 0.39 -0.18 1.70 1.70 -1.25 -3.87 118.95 112.80 1ddm s ARG 129 Ca 0.67 0.58 -0.04 0.00 -0.47 0.00 0.00 55.73 56.47 1ddm s ARG 129 Cb -0.23 0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.26 1ddm s ARG 129 CO 0.60 -0.07 -0.04 0.08 -1.08 0.00 0.00 175.30 174.80 1ddm s VAL 130 N 0.89 3.69 -0.11 4.99 1.01 -1.24 -0.71 120.40 128.92 1ddm s VAL 130 Ca -0.04 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1ddm s VAL 130 Cb -0.04 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 1ddm s VAL 130 CO -0.12 0.46 -0.14 -0.69 0.00 0.00 0.00 175.10 174.61 1ddm s VAL 131 N 0.83 3.02 0.57 2.92 1.01 -0.28 -1.94 120.40 126.52 1ddm s VAL 131 Ca -0.01 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 1ddm s VAL 131 Cb -0.15 -2.24 0.15 0.00 0.00 0.00 0.00 36.38 34.14 1ddm s VAL 131 CO 0.02 0.54 0.36 0.47 0.00 0.00 0.00 175.10 176.49 1ddm n ASP 132 N 3.25 -2.60 0.00 3.32 8.00 -1.09 -0.34 116.55 127.09 1ddm n ASP 132 Ca -0.18 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1ddm n ASP 132 Cb 0.53 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1ddm n ASP 132 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ddm n ASP 133 N -4.06 1.81 -0.02 -2.24 2.03 -0.72 -3.81 116.55 109.55 1ddm n ASP 133 Ca 0.06 -0.15 0.05 0.00 0.52 0.00 0.00 54.79 55.26 1ddm n ASP 133 Cb 0.24 0.66 -0.12 0.00 -0.72 0.00 0.00 41.12 41.18 1ddm n ASP 133 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1ddm n GLU 134 N -0.84 0.71 0.00 -0.67 0.28 -1.26 -4.67 120.64 114.19 1ddm n GLU 134 Ca 0.00 -0.12 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 1ddm n GLU 134 Cb 0.00 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 31.49 1ddm n GLU 134 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1ddm n THR 135 N -2.15 0.00 -2.85 3.84 5.66 -1.26 -5.03 114.28 112.49 1ddm n THR 135 Ca -0.07 -0.02 -0.21 0.00 -3.05 0.00 0.00 64.05 60.69 1ddm n THR 135 Cb 0.53 0.27 0.02 0.00 -1.55 0.00 0.00 70.33 69.59 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 -0.49 -3.75 -3.02 1.09 4.01 -1.25 -4.90 118.16 109.85 1ddm n LYS 136 Ca 0.00 0.88 -0.36 0.00 -0.51 0.00 0.00 58.31 58.32 1ddm n LYS 136 Cb 0.00 -5.66 -0.06 0.00 -0.51 0.00 0.00 35.03 28.80 1ddm n LYS 136 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1ddm s GLY 137 N -2.49 2.60 0.03 0.72 0.00 -1.26 -4.40 107.32 102.51 1ddm s GLY 137 Ca 0.21 0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.87 1ddm s GLY 137 CO 0.26 0.59 1.18 -2.27 0.00 0.00 0.00 173.10 172.86 1ddm s LEU 138 N -2.22 4.35 -0.12 0.66 2.96 -1.26 -2.67 118.68 120.37 1ddm s LEU 138 Ca 0.47 1.93 -0.06 0.00 -0.22 0.00 0.00 54.13 56.25 1ddm s LEU 138 Cb -0.16 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1ddm s LEU 138 CO 0.20 -0.47 -0.16 -0.38 -1.32 0.00 0.00 176.35 174.22 1ddm n ILE 139 N 4.09 0.71 -3.65 6.68 5.41 -0.82 -4.96 119.36 126.82 1ddm n ILE 139 Ca 0.09 -0.16 -0.39 0.00 1.00 0.00 0.00 62.75 63.30 1ddm n ILE 139 Cb 0.47 -1.68 -0.12 0.00 -0.71 0.00 0.00 39.64 37.60 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 -2.23 4.61 -0.60 1.39 1.01 -1.26 -4.96 120.40 118.35 1ddm s VAL 140 Ca -0.17 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1ddm s VAL 140 Cb 0.06 -3.38 0.36 0.00 0.00 0.00 0.00 36.38 33.42 1ddm s VAL 140 CO 0.22 0.03 1.11 -0.67 0.00 0.00 0.00 175.10 175.79 1ddm n ASP 141 N 4.99 4.94 -3.78 3.32 2.03 -1.26 -3.61 116.55 123.18 1ddm n ASP 141 Ca -0.14 -3.70 -0.18 0.00 0.52 0.00 0.00 54.79 51.29 1ddm n ASP 141 Cb 0.49 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 40.25 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 -0.29 1.06 -4.58 -0.67 1.13 -1.25 -5.07 117.38 107.70 1ddm n GLN 142 Ca 0.35 -2.27 -0.27 0.00 -1.94 0.00 0.00 57.00 52.88 1ddm n GLN 142 Cb 0.43 0.38 -0.11 0.00 0.11 0.00 0.00 30.24 31.06 1ddm n GLN 142 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1ddm s THR 143 N -1.90 1.95 0.02 5.09 2.01 -1.26 -3.02 115.64 118.53 1ddm s THR 143 Ca 0.13 -2.05 0.03 0.00 0.31 0.00 0.00 61.69 60.10 1ddm s THR 143 Cb -0.01 -2.87 -0.25 0.00 0.01 0.00 0.00 72.50 69.38 1ddm s THR 143 CO 0.08 -0.06 0.93 0.40 -0.69 0.00 0.00 174.62 175.28 1ddm h ILE 144 N 1.89 1.24 0.00 1.82 2.04 -1.88 -2.97 117.51 119.65 1ddm h ILE 144 Ca -0.43 -2.94 0.00 0.00 1.00 0.00 0.00 64.86 62.49 1ddm h ILE 144 Cb 1.24 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 1ddm h ILE 144 CO 0.77 0.79 -0.24 -1.84 0.00 0.00 0.00 178.15 177.63 1ddm n GLU 145 N -3.34 0.18 0.02 2.37 0.28 -1.26 -3.80 120.64 115.08 1ddm n GLU 145 Ca -0.12 0.10 -0.22 0.00 -0.16 0.00 0.00 57.16 56.76 1ddm n GLU 145 Cb 1.02 -1.67 -0.14 0.00 1.43 0.00 0.00 31.44 32.08 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 0.27 -6.54 3.44 3.64 -1.98 -3.46 116.57 111.95 1ddm h LYS 146 Ca 0.00 -0.47 -0.53 0.00 -1.27 0.00 0.00 60.65 58.39 1ddm h LYS 146 Cb 0.66 0.17 0.04 0.00 -0.41 0.00 0.00 32.23 32.69 1ddm h LYS 146 CO 0.00 1.22 1.04 0.14 -2.27 0.00 0.00 179.45 179.59 1ddm s VAL 147 N -2.51 2.54 0.34 2.00 -7.23 -1.12 -4.87 120.40 109.55 1ddm s VAL 147 Ca -0.20 0.18 0.08 0.00 -1.81 0.00 0.00 61.98 60.23 1ddm s VAL 147 Cb 0.05 -3.11 0.32 0.00 0.56 0.00 0.00 36.38 34.20 1ddm s VAL 147 CO 0.78 0.00 1.86 -1.28 -0.31 0.00 0.00 175.10 176.15 1ddm h SER 148 N 7.98 0.70 -5.19 4.85 0.87 -0.96 -3.45 113.55 118.35 1ddm h SER 148 Ca -0.44 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.11 1ddm h SER 148 Cb 1.21 -0.09 -0.11 0.00 -0.44 0.00 0.00 62.40 62.97 1ddm h SER 148 CO 0.94 0.34 -0.12 -0.36 -0.53 0.00 0.00 176.83 177.10 1ddm s PHE 149 N -5.72 0.18 -0.41 2.24 0.08 -1.21 -4.94 117.98 108.20 1ddm s PHE 149 Ca -0.10 -0.54 0.09 0.00 0.12 0.00 0.00 56.93 56.50 1ddm s PHE 149 Cb 0.22 0.19 0.31 0.00 -0.57 0.00 0.00 43.02 43.17 1ddm s PHE 149 CO 0.79 -0.88 0.81 0.00 -0.10 0.00 0.00 175.22 175.85 1ddm s ALA 151 N -1.09 3.55 0.00 0.00 0.00 -1.02 -4.92 121.76 118.29 1ddm s ALA 151 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1ddm s ALA 151 Cb 0.28 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1ddm s ALA 151 CO -0.10 0.28 0.00 -0.35 0.00 0.00 0.00 175.76 175.59 1ddm n PRO 152 N 2.34 0.00 -1.35 0.00 -0.04 -1.26 -1.26 135.00 133.43 1ddm n PRO 152 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1ddm n PRO 152 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 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 0.38 -0.21 3.54 5.68 -1.23 -3.88 116.55 120.82 1ddm n ASP 153 Ca 0.00 -0.68 0.02 0.00 -0.50 0.00 0.00 54.79 53.63 1ddm n ASP 153 Cb 0.00 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.03 1ddm n ASP 153 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1ddm n ARG 154 N 0.00 2.69 0.06 0.11 1.85 -1.26 -4.92 116.66 115.19 1ddm n ARG 154 Ca 0.00 -1.61 0.00 0.00 -1.00 0.00 0.00 57.85 55.24 1ddm n ARG 154 Cb 0.00 -1.09 0.00 0.00 -1.05 0.00 0.00 32.46 30.32 1ddm n ARG 154 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1ddm n ASN 155 N -0.12 -1.09 0.00 2.89 5.15 -1.26 -5.03 115.26 115.79 1ddm n ASN 155 Ca 0.04 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 1ddm n ASN 155 Cb 0.29 1.26 0.00 0.00 -0.53 0.00 0.00 39.78 40.81 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 -2.59 0.00 0.79 1.20 -0.00 -1.26 -4.99 115.22 108.37 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 0.36 0.00 -0.00 0.00 0.00 29.99 30.35 1ddm n HIS 156 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1ddm n GLU 157 N 0.00 0.39 -1.70 1.57 4.07 -1.26 -4.79 120.64 118.92 1ddm n GLU 157 Ca 0.00 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 1ddm n GLU 157 Cb 0.00 -1.48 -0.07 0.00 -0.06 0.00 0.00 31.44 29.83 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 -0.98 -1.48 -4.19 5.31 5.12 -1.26 -4.95 116.66 114.23 1ddm n ARG 158 Ca 0.09 1.09 -0.27 0.00 -1.93 0.00 0.00 57.85 56.83 1ddm n ARG 158 Cb 0.04 -5.50 -0.17 0.00 -1.16 0.00 0.00 32.46 25.68 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 -2.52 0.91 0.30 -0.13 0.00 -1.26 -2.78 107.32 101.84 1ddm s GLY 159 Ca 0.00 -0.62 0.10 0.00 0.00 0.00 0.00 44.72 44.20 1ddm s GLY 159 CO 0.00 0.49 -0.03 -1.36 0.00 0.00 0.00 173.10 172.20 1ddm s PHE 160 N 1.29 2.56 0.31 1.90 0.08 -0.98 -3.56 117.98 119.59 1ddm s PHE 160 Ca -0.02 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.60 1ddm s PHE 160 Cb -0.14 -1.28 0.04 0.00 -0.57 0.00 0.00 43.02 41.08 1ddm s PHE 160 CO -0.05 0.58 0.61 0.43 -0.10 0.00 0.00 175.22 176.69 1ddm n SER 161 N -0.87 -1.77 -3.55 1.36 7.64 -0.39 -1.94 113.62 114.10 1ddm n SER 161 Ca -0.05 -2.29 -0.12 0.00 1.01 0.00 0.00 58.87 57.41 1ddm n SER 161 Cb 0.60 2.96 -0.04 0.00 -1.01 0.00 0.00 64.21 66.73 1ddm n SER 161 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1ddm s TYR 162 N -3.54 -0.38 0.30 1.43 1.13 -0.99 -2.42 117.35 112.88 1ddm s TYR 162 Ca 0.14 0.22 0.08 0.00 -1.41 0.00 0.00 57.07 56.09 1ddm s TYR 162 Cb -0.04 0.37 -0.06 0.00 -1.10 0.00 0.00 41.96 41.13 1ddm s TYR 162 CO 0.10 -0.72 -0.07 0.42 -2.51 0.00 0.00 175.55 172.77 1ddm s ILE 163 N -3.29 1.84 -0.28 -3.49 1.01 -1.07 -0.73 121.20 115.19 1ddm s ILE 163 Ca -0.01 -2.15 -0.21 0.00 0.00 0.00 0.00 60.65 58.29 1ddm s ILE 163 Cb 0.00 -2.53 0.11 0.00 0.01 0.00 0.00 42.46 40.05 1ddm s ILE 163 CO -0.08 -0.25 0.90 0.00 0.00 0.00 0.00 174.94 175.50 1ddm n ARG 165 N 3.06 2.17 -0.11 0.00 1.74 -1.26 -1.36 116.66 120.89 1ddm n ARG 165 Ca -0.16 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.76 1ddm n ARG 165 Cb 0.57 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 32.16 1ddm n ARG 165 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ddm n ASP 166 N -0.13 -3.16 0.00 0.55 5.68 -0.78 -4.02 116.55 114.69 1ddm n ASP 166 Ca 0.00 -0.46 0.00 0.00 -0.50 0.00 0.00 54.79 53.83 1ddm n ASP 166 Cb 0.00 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 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 -3.04 0.69 0.00 6.12 0.00 -1.26 -4.52 105.19 103.18 1ddm n GLY 167 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.09 2.61 5.66 -1.26 -4.93 114.28 114.28 1ddm n THR 168 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ddm n THR 168 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ddm n THR 168 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ddm n THR 169 N 0.00 0.00 -0.99 1.09 -1.04 -1.26 -5.00 114.28 107.08 1ddm n THR 169 Ca 0.00 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1ddm n THR 169 Cb 0.00 1.09 0.00 0.00 -1.82 0.00 0.00 70.33 69.60 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 -0.47 -1.54 -2.62 -2.82 1.74 -1.26 -4.83 116.66 104.85 1ddm n ARG 170 Ca 0.00 0.39 0.01 0.00 -0.77 0.00 0.00 57.85 57.47 1ddm n ARG 170 Cb 0.02 -4.57 0.01 0.00 -1.02 0.00 0.00 32.46 26.90 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 0.11 0.08 -2.97 5.56 1.85 -1.26 -4.81 116.66 115.23 1ddm n ARG 171 Ca 0.00 -0.31 -0.43 0.00 -1.00 0.00 0.00 57.85 56.11 1ddm n ARG 171 Cb 0.39 0.50 -0.05 0.00 -1.05 0.00 0.00 32.46 32.24 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 -2.86 2.95 -0.05 2.89 0.51 -1.26 -1.86 118.94 119.25 1ddm s TRP 172 Ca 0.11 -0.01 0.03 0.00 -2.12 0.00 0.00 56.10 54.11 1ddm s TRP 172 Cb -0.00 -3.74 0.00 0.00 -0.81 0.00 0.00 33.47 28.92 1ddm s TRP 172 CO -0.00 -1.09 -0.14 -1.64 -0.51 0.00 0.00 176.95 173.57 1ddm s MET 173 N 3.35 1.57 -0.11 4.98 -1.94 -0.47 -1.65 119.30 125.04 1ddm s MET 173 Ca 0.27 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 53.79 1ddm s MET 173 Cb -0.13 -1.35 -0.02 0.00 2.01 0.00 0.00 34.83 35.33 1ddm s MET 173 CO 0.20 0.14 -0.12 0.00 -0.01 0.00 0.00 175.02 175.22 1ddm s HIS 175 N 0.08 3.47 0.02 0.00 3.76 0.09 -2.32 115.29 120.39 1ddm s HIS 175 Ca -0.05 0.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 1ddm s HIS 175 Cb -0.15 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.86 1ddm s HIS 175 CO 0.04 0.39 -0.03 0.20 -0.85 0.00 0.00 174.74 174.50 1ddm s GLY 176 N -3.80 0.24 -0.24 -2.22 0.00 -1.26 -2.36 107.32 97.69 1ddm s GLY 176 Ca 0.35 -0.56 -0.18 0.00 0.00 0.00 0.00 44.72 44.33 1ddm s GLY 176 CO 0.30 -0.63 0.61 -0.11 0.00 0.00 0.00 173.10 173.27 1ddm s PHE 177 N -1.37 -0.77 0.27 1.90 -0.71 -0.82 -2.42 117.98 114.06 1ddm s PHE 177 Ca -0.15 1.73 0.04 0.00 -1.04 0.00 0.00 56.93 57.51 1ddm s PHE 177 Cb -0.09 0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 42.03 1ddm s PHE 177 CO -0.01 -0.38 0.41 -0.51 -1.34 0.00 0.00 175.22 173.39 1ddm s LEU 178 N 0.82 4.24 -0.30 -1.99 1.43 -1.16 -2.33 118.68 119.38 1ddm s LEU 178 Ca -0.04 0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 1ddm s LEU 178 Cb -0.05 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 1ddm s LEU 178 CO -0.07 -0.14 0.36 0.00 0.23 0.00 0.00 176.35 176.74 1ddm s ALA 179 N -2.07 3.53 -1.34 4.21 0.00 -1.12 -0.43 121.76 124.54 1ddm s ALA 179 Ca 0.36 -0.99 0.19 0.00 0.00 0.00 0.00 51.96 51.51 1ddm s ALA 179 Cb -0.09 -2.75 0.93 0.00 0.00 0.00 0.00 23.12 21.22 1ddm s ALA 179 CO 0.31 -0.83 1.59 0.00 0.00 0.00 0.00 175.76 176.83 1ddm h LYS 181 N 0.00 0.00 -5.71 0.00 1.79 -1.92 -3.48 116.57 107.24 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 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1ddm h LYS 181 CO 0.00 0.35 -0.55 -0.25 -1.08 0.00 0.00 179.45 177.92 1ddm n ASP 182 N -2.95 -7.11 0.00 0.86 9.92 -0.99 -4.91 116.55 111.37 1ddm n ASP 182 Ca -0.11 0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1ddm n ASP 182 Cb 0.88 -4.27 0.00 0.00 -0.64 0.00 0.00 41.12 37.10 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 -0.99 0.00 -2.70 -2.24 2.88 -1.26 -5.04 113.62 104.27 1ddm n SER 183 Ca -0.01 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1ddm n SER 183 Cb 0.54 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.04 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 -0.57 -0.28 0.00 0.46 0.00 -1.26 -4.86 105.19 98.67 1ddm n GLY 184 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.71 1.17 0.00 1.61 0.00 -1.26 -4.17 120.64 114.28 1ddm n GLU 185 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.24 1ddm n GLU 185 Cb 0.58 -0.67 0.44 0.00 0.00 0.00 0.00 31.44 31.79 1ddm n GLU 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1ddm n ARG 186 N -1.11 0.66 0.07 5.31 5.12 -1.26 -3.96 116.66 121.50 1ddm n ARG 186 Ca 0.00 -0.34 0.00 0.00 -1.93 0.00 0.00 57.85 55.58 1ddm n ARG 186 Cb 0.17 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 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 -0.88 0.47 0.25 0.55 4.32 -1.26 -4.21 117.00 116.25 1ddm n LEU 187 Ca 0.12 0.23 -0.14 0.00 -0.02 0.00 0.00 56.01 56.20 1ddm n LEU 187 Cb 0.32 -0.02 -0.07 0.00 -1.62 0.00 0.00 43.42 42.03 1ddm n LEU 187 CO 0.26 -0.66 0.52 -1.28 -1.22 0.00 0.00 177.39 175.01 1ddm h SER 188 N 0.00 -1.03 0.00 -1.43 0.87 -1.80 -1.19 113.55 108.97 1ddm h SER 188 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1ddm h SER 188 Cb 0.12 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1ddm h SER 188 CO 0.00 -0.53 0.10 -0.74 -0.53 0.00 0.00 176.83 175.13 1ddm h HIS 189 N -0.81 0.00 0.00 2.24 2.76 -1.72 -1.47 115.15 116.15 1ddm h HIS 189 Ca -0.06 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.00 1ddm h HIS 189 Cb 0.68 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.65 1ddm h HIS 189 CO -0.17 0.00 -0.46 0.00 -1.30 0.00 0.00 177.93 176.00 1ddm h ALA 190 N 1.80 0.05 0.00 5.26 0.00 -1.51 -3.26 119.26 121.60 1ddm h ALA 190 Ca 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1ddm h ALA 190 Cb 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ddm h ALA 190 CO 0.00 0.24 -0.29 0.28 0.00 0.00 0.00 179.25 179.48 1ddm h VAL 191 N -0.28 1.11 0.00 0.00 2.07 -0.20 -2.26 116.25 116.69 1ddm h VAL 191 Ca -0.06 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1ddm h VAL 191 Cb 1.20 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1ddm h VAL 191 CO 0.09 0.28 0.00 1.23 0.02 0.00 0.00 177.57 179.19 1ddm h GLY 192 N 0.99 0.00 -0.12 2.17 0.00 -1.48 -0.45 103.07 104.18 1ddm h GLY 192 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ddm h GLY 192 CO 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 176.54 176.17 1ddm h ALA 194 N 1.52 1.13 0.00 0.00 0.00 -0.77 -2.24 119.26 118.89 1ddm h ALA 194 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1ddm h ALA 194 Cb 0.27 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ddm h ALA 194 CO 0.00 0.66 -0.50 0.27 0.00 0.00 0.00 179.25 179.68 1ddm h PHE 195 N 1.24 0.00 -0.05 0.00 -0.00 -1.80 -2.64 116.94 113.68 1ddm h PHE 195 Ca 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 58.29 1ddm h PHE 195 Cb 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.02 1ddm h PHE 195 CO 0.01 0.50 0.11 0.00 -0.00 0.00 0.00 178.31 178.93 1ddm h ALA 196 N 1.50 1.39 0.00 12.09 0.00 -1.66 0.03 119.26 132.61 1ddm h ALA 196 Ca -0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1ddm h ALA 196 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ddm h ALA 196 CO 0.06 -0.13 -2.00 0.28 0.00 0.00 0.00 179.25 177.46 1ddm n VAL 197 N -3.42 0.25 0.24 0.00 0.31 -1.05 -4.26 118.33 110.40 1ddm n VAL 197 Ca -0.02 -0.53 0.08 0.00 -0.01 0.00 0.00 64.34 63.86 1ddm n VAL 197 Cb 0.19 -0.07 0.58 0.00 -0.91 0.00 0.00 33.84 33.63 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 -4.08 7.11 -0.02 0.00 -0.00 -1.00 -4.71 117.00 114.30 1ddm n LEU 199 Ca -0.02 -4.78 0.06 0.00 -0.00 0.00 0.00 56.01 51.26 1ddm n LEU 199 Cb 0.25 -0.95 0.44 0.00 -0.00 0.00 0.00 43.42 43.17 1ddm n LEU 199 CO 0.34 1.78 1.17 -0.08 -0.00 0.00 0.00 177.39 180.60 1ddm h GLU 200 N 2.73 0.51 0.00 1.47 4.81 -1.70 -3.50 114.58 118.89 1ddm h GLU 200 Ca 0.54 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 1ddm h GLU 200 Cb 0.34 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1ddm h GLU 200 CO 1.37 0.33 0.00 -2.13 -0.73 0.00 0.00 179.01 177.85