#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 -0.48 0.00 1.57 4.20 -2.05 -3.11 115.11 115.23 1ddm h GLN 68 Ca 0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1ddm h GLN 68 Cb 0.00 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1ddm h GLN 68 CO 0.00 -0.27 0.00 -1.49 -0.67 0.00 0.00 178.83 176.40 1ddm h TRP 69 N -1.10 0.00 -0.12 2.96 6.55 -2.04 -0.26 115.95 121.94 1ddm h TRP 69 Ca -0.05 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.68 1ddm h TRP 69 Cb 0.43 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.72 1ddm h TRP 69 CO 0.01 0.00 -0.41 0.37 -1.05 0.00 0.00 178.44 177.36 1ddm h GLN 70 N 0.00 0.27 0.00 0.49 5.75 -1.99 0.11 115.11 119.75 1ddm h GLN 70 Ca 0.00 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 1ddm h GLN 70 Cb 0.11 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.66 1ddm h GLN 70 CO 0.00 0.64 -1.07 0.00 -2.65 0.00 0.00 178.83 175.74 1ddm n ALA 71 N -2.48 2.65 0.05 3.38 0.00 -0.18 -3.53 120.51 120.41 1ddm n ALA 71 Ca -0.01 -0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.03 1ddm n ALA 71 Cb 0.48 -1.07 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 1ddm n ALA 71 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1ddm h ASP 72 N 0.00 0.19 0.06 0.00 3.58 -1.10 -3.15 116.42 115.99 1ddm h ASP 72 Ca 0.00 -0.24 -0.17 0.00 0.42 0.00 0.00 57.03 57.04 1ddm h ASP 72 Cb 0.96 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.94 1ddm h ASP 72 CO 0.00 1.20 -0.60 -0.33 -2.88 0.00 0.00 179.24 176.63 1ddm h GLU 73 N 0.03 0.54 0.00 0.28 5.08 -0.92 -2.69 114.58 116.90 1ddm h GLU 73 Ca -0.16 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1ddm h GLU 73 Cb 1.92 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1ddm h GLU 73 CO 0.14 0.98 0.00 1.49 -1.00 0.00 0.00 179.01 180.62 1ddm h GLU 74 N 0.41 0.00 0.20 2.33 4.57 -1.65 -3.08 114.58 117.36 1ddm h GLU 74 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1ddm h GLU 74 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1ddm h GLU 74 CO 0.11 0.00 -0.10 0.00 -1.18 0.00 0.00 179.01 177.84 1ddm h ALA 75 N 2.03 -0.27 -0.83 2.92 0.00 -1.43 -2.33 119.26 119.35 1ddm h ALA 75 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ddm h ALA 75 Cb 0.46 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1ddm h ALA 75 CO 0.00 -0.61 0.55 0.28 0.00 0.00 0.00 179.25 179.47 1ddm h VAL 76 N -0.35 1.14 -0.98 0.00 2.07 -1.62 -1.34 116.25 115.17 1ddm h VAL 76 Ca -0.03 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.21 1ddm h VAL 76 Cb 0.27 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 29.99 1ddm h VAL 76 CO 0.05 0.19 0.63 0.03 0.02 0.00 0.00 177.57 178.48 1ddm h ARG 77 N 1.03 1.08 0.00 1.57 3.08 -1.50 -1.92 114.38 117.72 1ddm h ARG 77 Ca 0.33 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1ddm h ARG 77 Cb 0.02 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1ddm h ARG 77 CO -0.09 0.72 0.00 0.43 -1.07 0.00 0.00 179.97 179.95 1ddm n SER 78 N -4.54 0.00 0.00 7.04 7.64 -0.56 -4.78 113.62 118.42 1ddm n SER 78 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1ddm n SER 78 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 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 -3.02 -0.43 0.00 -0.90 -4.54 120.51 108.62 1ddm n ALA 79 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 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 -0.34 -0.00 0.00 -1.32 -1.10 -4.27 115.64 108.61 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 -0.20 0.01 0.00 -1.51 0.00 0.00 72.50 70.80 1ddm s THR 80 CO 0.00 0.00 0.94 0.00 -2.21 0.00 0.00 174.62 173.35 1ddm n SER 82 N -0.46 1.42 -0.86 0.00 7.64 -1.25 -4.68 113.62 115.43 1ddm n SER 82 Ca 0.00 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1ddm n SER 82 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 -0.08 -0.43 -1.35 1.43 3.72 -0.97 -4.81 117.46 114.97 1ddm n PHE 83 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 1ddm n PHE 83 Cb 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 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 -1.71 -1.81 -1.05 4.37 2.88 -1.26 -1.35 113.62 113.68 1ddm n SER 84 Ca 0.00 0.65 -0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1ddm n SER 84 Cb 0.00 -1.10 -0.00 0.00 -0.75 0.00 0.00 64.21 62.35 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 -1.89 0.00 -3.05 2.46 0.24 -0.51 -2.70 118.33 112.88 1ddm n VAL 85 Ca 0.10 -0.05 -0.18 0.00 -2.04 0.00 0.00 64.34 62.17 1ddm n VAL 85 Cb 0.48 0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 32.85 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 -0.01 0.61 -1.54 7.34 4.76 -0.72 -3.75 118.16 124.84 1ddm n LYS 86 Ca 0.00 -2.66 -0.34 0.00 -2.87 0.00 0.00 58.31 52.44 1ddm n LYS 86 Cb 0.01 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 31.74 1ddm n LYS 86 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1ddm n TYR 87 N 1.93 1.19 0.03 2.13 9.36 -1.14 -3.13 117.16 127.54 1ddm n TYR 87 Ca 0.19 0.15 -0.12 0.00 3.32 0.00 0.00 57.90 61.44 1ddm n TYR 87 Cb 0.55 -2.52 -0.07 0.00 -0.63 0.00 0.00 39.34 36.67 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 18.24 -0.00 0.00 2.98 3.38 -1.78 -1.22 115.31 136.91 1ddm h LEU 88 Ca -0.17 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1ddm h LEU 88 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1ddm h LEU 88 CO 1.20 0.07 0.00 0.61 0.09 0.00 0.00 178.44 180.41 1ddm n GLY 89 N -0.91 -0.14 3.63 0.83 0.00 -1.22 -3.71 105.19 103.67 1ddm n GLY 89 Ca -0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 2.06 3.06 -0.33 0.00 -7.23 -0.60 -4.94 120.40 112.41 1ddm s VAL 91 Ca -0.08 -1.59 -0.19 0.00 -1.81 0.00 0.00 61.98 58.30 1ddm s VAL 91 Cb -0.07 -3.03 -0.01 0.00 0.56 0.00 0.00 36.38 33.84 1ddm s VAL 91 CO -0.19 -0.15 0.58 -1.61 -0.31 0.00 0.00 175.10 173.42 1ddm s GLU 92 N -3.90 3.76 0.00 4.82 8.01 -1.26 -1.67 118.70 128.45 1ddm s GLU 92 Ca 0.39 0.08 0.00 0.00 0.01 0.00 0.00 54.97 55.45 1ddm s GLU 92 Cb -0.03 -3.77 0.00 0.00 -4.31 0.00 0.00 34.13 26.02 1ddm s GLU 92 CO 0.24 -0.62 0.00 1.33 0.01 0.00 0.00 175.26 176.22 1ddm n VAL 93 N 5.44 0.00 -2.92 2.63 0.24 -1.23 -4.97 118.33 117.52 1ddm n VAL 93 Ca -0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.14 1ddm n VAL 93 Cb 0.49 -0.55 0.02 0.00 -1.47 0.00 0.00 33.84 32.33 1ddm n VAL 93 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1ddm n PHE 94 N -0.30 -1.93 0.05 6.34 -0.00 -1.26 -4.78 117.46 115.58 1ddm n PHE 94 Ca 0.00 -2.63 0.00 0.00 -0.00 0.00 0.00 57.45 54.82 1ddm n PHE 94 Cb 0.00 0.80 0.00 0.00 -0.00 0.00 0.00 39.48 40.28 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 1.00 0.00 -2.79 -4.13 -0.58 -1.26 -5.03 120.64 107.85 1ddm n GLU 95 Ca 0.14 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.66 1ddm n GLU 95 Cb 0.63 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.52 1ddm n GLU 95 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1ddm n SER 96 N -2.55 -6.09 -2.72 1.62 7.64 -1.26 -4.91 113.62 105.35 1ddm n SER 96 Ca 0.00 -0.19 -0.03 0.00 1.01 0.00 0.00 58.87 59.66 1ddm n SER 96 Cb 0.00 -4.97 0.02 0.00 -1.01 0.00 0.00 64.21 58.25 1ddm n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddm s ARG 97 N -5.46 0.56 0.00 1.43 1.70 -1.26 -4.73 118.95 111.19 1ddm s ARG 97 Ca 0.19 -0.53 0.00 0.00 -0.47 0.00 0.00 55.73 54.92 1ddm s ARG 97 Cb -0.08 -0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.27 1ddm s ARG 97 CO 0.24 -0.69 0.00 0.41 -1.08 0.00 0.00 175.30 174.18 1ddm n GLY 98 N 2.80 2.70 0.14 3.88 0.00 -1.26 -4.97 105.19 108.48 1ddm n GLY 98 Ca 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 1ddm n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddm h MET 99 N 0.00 0.00 0.00 1.61 -0.00 -1.98 -2.92 114.93 111.63 1ddm h MET 99 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1ddm h MET 99 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1ddm h MET 99 CO 0.00 0.61 -0.10 -0.56 -0.00 0.00 0.00 176.91 176.85 1ddm h GLN 100 N 0.00 0.00 -0.48 -0.10 3.07 -1.95 -3.17 115.11 112.48 1ddm h GLN 100 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1ddm h GLN 100 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.62 1ddm h GLN 100 CO 0.08 0.10 0.28 0.28 0.09 0.00 0.00 178.83 179.66 1ddm h VAL 101 N 0.00 1.14 -0.00 1.86 2.07 -1.89 -1.82 116.25 117.62 1ddm h VAL 101 Ca -0.00 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1ddm h VAL 101 Cb 0.95 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1ddm h VAL 101 CO 0.01 0.15 -0.00 0.00 0.02 0.00 0.00 177.57 177.76 1ddm h GLU 103 N -0.66 0.00 0.03 0.00 4.22 -1.57 -0.41 114.58 116.19 1ddm h GLU 103 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ddm h GLU 103 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1ddm h GLU 103 CO 0.00 0.00 -0.01 0.93 -2.18 0.00 0.00 179.01 177.75 1ddm h GLU 104 N 0.00 -0.04 -0.25 1.92 4.39 -1.33 -3.15 114.58 116.12 1ddm h GLU 104 Ca 0.17 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.90 1ddm h GLU 104 Cb 0.69 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1ddm h GLU 104 CO -0.00 0.66 0.17 0.00 -1.16 0.00 0.00 179.01 178.68 1ddm h ALA 105 N -0.04 1.98 -0.48 3.43 0.00 -0.94 -1.84 119.26 121.37 1ddm h ALA 105 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ddm h ALA 105 Cb 0.72 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ddm h ALA 105 CO 0.01 -0.02 0.11 1.25 0.00 0.00 0.00 179.25 180.60 1ddm h LEU 106 N 0.21 0.73 -0.56 0.00 5.85 -1.16 -1.62 115.31 118.76 1ddm h LEU 106 Ca 0.11 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1ddm h LEU 106 Cb 0.16 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1ddm h LEU 106 CO -0.02 0.78 0.24 0.50 -0.34 0.00 0.00 178.44 179.60 1ddm h LYS 107 N 0.65 0.82 -0.83 1.25 1.63 -1.30 -1.75 116.57 117.04 1ddm h LYS 107 Ca 0.15 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1ddm h LYS 107 Cb 0.34 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.79 1ddm h LYS 107 CO 0.00 0.69 0.38 0.28 -3.45 0.00 0.00 179.45 177.35 1ddm h VAL 108 N 0.76 1.26 -0.39 2.00 2.07 -1.31 -1.26 116.25 119.37 1ddm h VAL 108 Ca 0.19 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1ddm h VAL 108 Cb 0.16 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1ddm h VAL 108 CO -0.02 0.32 -0.09 -0.07 0.02 0.00 0.00 177.57 177.73 1ddm h LEU 109 N 1.19 0.66 -0.25 2.57 3.38 -1.00 -0.19 115.31 121.66 1ddm h LEU 109 Ca 0.28 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ddm h LEU 109 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ddm h LEU 109 CO -0.03 0.79 0.00 0.54 0.09 0.00 0.00 178.44 179.82 1ddm n ARG 110 N -4.19 0.22 0.02 1.13 5.12 -0.68 -2.69 116.66 115.59 1ddm n ARG 110 Ca 0.01 0.28 0.11 0.00 -1.93 0.00 0.00 57.85 56.32 1ddm n ARG 110 Cb 0.33 -1.81 -0.05 0.00 -1.16 0.00 0.00 32.46 29.77 1ddm n ARG 110 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1ddm n GLN 111 N -2.19 0.42 -3.43 5.56 6.02 -0.52 -4.96 117.38 118.27 1ddm n GLN 111 Ca 0.04 -0.04 -0.21 0.00 -0.01 0.00 0.00 57.00 56.79 1ddm n GLN 111 Cb 0.35 -1.60 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 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 -2.11 2.50 -3.59 1.08 7.64 -0.18 -5.07 113.62 113.89 1ddm n SER 112 Ca 0.00 -2.46 -0.30 0.00 1.01 0.00 0.00 58.87 57.13 1ddm n SER 112 Cb 0.48 0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.67 1ddm n SER 112 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ddm n ARG 113 N -1.29 2.72 -0.26 1.43 3.00 -1.26 -4.87 116.66 116.13 1ddm n ARG 113 Ca -0.06 -4.63 -0.00 0.00 -0.01 0.00 0.00 57.85 53.15 1ddm n ARG 113 Cb 0.46 -2.30 0.09 0.00 0.00 0.00 0.00 32.46 30.71 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 1.11 1.85 -2.89 5.56 5.12 -1.26 -4.93 116.66 121.23 1ddm n ARG 114 Ca 0.28 -0.81 -0.03 0.00 -1.93 0.00 0.00 57.85 55.35 1ddm n ARG 114 Cb 0.39 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 1ddm n ARG 114 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1ddm n ARG 115 N 0.14 -2.54 -2.08 5.56 3.00 -1.25 -4.36 116.66 115.13 1ddm n ARG 115 Ca 0.09 2.18 -0.41 0.00 -0.00 0.00 0.00 57.85 59.71 1ddm n ARG 115 Cb 0.58 -4.24 -0.02 0.00 0.00 0.00 0.00 32.46 28.78 1ddm n ARG 115 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1ddm s PRO 116 N -1.66 4.32 -0.27 -0.14 0.02 -1.24 -4.71 135.00 131.32 1ddm s PRO 116 Ca 0.05 2.23 -0.02 0.00 0.02 0.00 0.00 61.00 63.29 1ddm s PRO 116 Cb -0.01 -3.10 0.03 0.00 0.02 0.00 0.00 34.50 31.44 1ddm s PRO 116 CO 0.61 -0.29 -0.03 0.08 -0.33 0.00 0.00 177.00 177.03 1ddm s VAL 117 N -0.53 2.96 -0.49 3.83 1.01 -0.46 -4.94 120.40 121.79 1ddm s VAL 117 Ca 0.54 -1.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.10 1ddm s VAL 117 Cb -0.40 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.42 1ddm s VAL 117 CO 0.47 0.09 1.44 -0.60 0.00 0.00 0.00 175.10 176.50 1ddm s ARG 118 N 1.31 3.41 0.00 2.72 3.52 -1.26 -2.86 118.95 125.78 1ddm s ARG 118 Ca -0.02 0.71 0.00 0.00 -0.13 0.00 0.00 55.73 56.30 1ddm s ARG 118 Cb -0.18 -4.09 0.00 0.00 -1.56 0.00 0.00 34.95 29.13 1ddm s ARG 118 CO -0.03 -1.79 0.00 0.41 -0.81 0.00 0.00 175.30 173.08 1ddm n GLY 119 N 5.19 4.06 3.19 8.12 0.00 -1.25 -2.08 105.19 122.43 1ddm n GLY 119 Ca 0.15 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 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 2.27 -0.03 0.99 1.98 -0.40 -1.42 118.68 122.07 1ddm s LEU 120 Ca 0.00 -0.57 -0.20 0.00 -2.89 0.00 0.00 54.13 50.47 1ddm s LEU 120 Cb 0.00 -1.51 -0.05 0.00 0.66 0.00 0.00 46.19 45.29 1ddm s LEU 120 CO 0.00 0.04 0.57 -0.22 -1.89 0.00 0.00 176.35 174.85 1ddm s LEU 121 N 1.04 4.38 -0.42 -0.68 2.96 -0.46 -2.19 118.68 123.32 1ddm s LEU 121 Ca -0.01 1.08 0.03 0.00 -0.22 0.00 0.00 54.13 55.01 1ddm s LEU 121 Cb -0.14 -2.87 0.12 0.00 0.50 0.00 0.00 46.19 43.79 1ddm s LEU 121 CO -0.06 0.07 0.16 -1.00 -1.32 0.00 0.00 176.35 174.21 1ddm s HIS 122 N 0.02 3.01 -0.63 5.38 3.76 -0.62 -2.30 115.29 123.92 1ddm s HIS 122 Ca 0.30 -2.82 -0.26 0.00 -0.15 0.00 0.00 55.06 52.13 1ddm s HIS 122 Cb -0.17 -2.57 -0.08 0.00 1.11 0.00 0.00 32.58 30.86 1ddm s HIS 122 CO 0.16 -0.84 2.30 0.08 -0.85 0.00 0.00 174.74 175.59 1ddm s VAL 123 N 0.47 3.09 -0.19 -0.90 1.01 -1.26 -2.75 120.40 119.86 1ddm s VAL 123 Ca 0.14 -0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 1ddm s VAL 123 Cb -0.22 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1ddm s VAL 123 CO -0.06 -0.22 0.14 -0.55 0.00 0.00 0.00 175.10 174.42 1ddm s SER 124 N 10.91 6.24 0.00 3.32 0.15 -1.26 -1.84 113.70 131.22 1ddm s SER 124 Ca 0.90 0.27 0.07 0.00 0.70 0.00 0.00 55.95 57.88 1ddm s SER 124 Cb -0.14 -2.10 0.40 0.00 -1.71 0.00 0.00 66.02 62.47 1ddm s SER 124 CO 0.18 0.19 0.88 0.61 1.20 0.00 0.00 173.24 176.29 1ddm n GLY 125 N 3.42 -0.22 0.81 9.45 0.00 -0.72 -1.43 105.19 116.49 1ddm n GLY 125 Ca -0.16 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 45.87 1ddm n GLY 125 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ddm n ASP 126 N -1.01 1.50 0.00 1.61 2.03 -1.26 -4.67 116.55 114.75 1ddm n ASP 126 Ca 0.05 -3.27 0.00 0.00 0.52 0.00 0.00 54.79 52.09 1ddm n ASP 126 Cb 0.02 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 1ddm n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ddm n GLY 127 N -0.66 2.55 3.68 0.27 0.00 -0.51 -4.85 105.19 105.67 1ddm n GLY 127 Ca 0.15 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 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 4.40 -3.71 0.99 4.77 -1.23 -4.27 117.00 117.96 1ddm n LEU 128 Ca 0.00 0.96 -0.21 0.00 -0.03 0.00 0.00 56.01 56.73 1ddm n LEU 128 Cb 0.00 -1.48 -0.18 0.00 -2.33 0.00 0.00 43.42 39.43 1ddm n LEU 128 CO 0.00 -1.08 -0.36 -0.13 -1.33 0.00 0.00 177.39 174.50 1ddm s ARG 129 N -2.63 0.17 -0.35 3.23 0.52 -1.11 -3.96 118.95 114.82 1ddm s ARG 129 Ca 0.70 0.28 -0.06 0.00 -0.52 0.00 0.00 55.73 56.13 1ddm s ARG 129 Cb -0.45 -0.66 0.05 0.00 0.52 0.00 0.00 34.95 34.41 1ddm s ARG 129 CO 0.51 -0.31 0.12 0.08 0.02 0.00 0.00 175.30 175.71 1ddm s VAL 130 N 2.06 3.68 -0.28 3.52 1.01 -1.23 -1.58 120.40 127.58 1ddm s VAL 130 Ca 0.04 -1.30 -0.08 0.00 0.00 0.00 0.00 61.98 60.65 1ddm s VAL 130 Cb -0.12 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1ddm s VAL 130 CO -0.04 -0.26 0.10 -0.69 0.00 0.00 0.00 175.10 174.21 1ddm s VAL 131 N 1.36 4.34 0.83 2.92 1.01 -0.93 -2.31 120.40 127.62 1ddm s VAL 131 Ca -0.01 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 1ddm s VAL 131 Cb -0.20 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.07 1ddm s VAL 131 CO 0.01 0.21 0.64 0.47 0.00 0.00 0.00 175.10 176.43 1ddm n ASP 132 N 4.93 -1.03 -0.78 3.32 8.00 -0.04 -1.28 116.55 129.68 1ddm n ASP 132 Ca -0.15 0.48 0.09 0.00 0.71 0.00 0.00 54.79 55.93 1ddm n ASP 132 Cb 0.50 -1.28 0.10 0.00 -0.02 0.00 0.00 41.12 40.42 1ddm n ASP 132 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ddm n ASP 133 N -1.41 2.66 -0.02 -2.24 9.92 -0.88 -2.39 116.55 122.20 1ddm n ASP 133 Ca 0.10 -1.80 -0.02 0.00 -0.53 0.00 0.00 54.79 52.54 1ddm n ASP 133 Cb 0.51 -0.05 -0.03 0.00 -0.64 0.00 0.00 41.12 40.92 1ddm n ASP 133 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1ddm n GLU 134 N 1.05 3.00 0.00 -1.24 2.13 -1.26 -4.73 120.64 119.59 1ddm n GLU 134 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1ddm n GLU 134 Cb 0.47 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 31.09 1ddm n GLU 134 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1ddm n THR 135 N -2.19 0.00 -1.95 6.31 -2.24 -1.26 -4.99 114.28 107.95 1ddm n THR 135 Ca -0.06 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 1ddm n THR 135 Cb 0.61 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 1ddm n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ddm n LYS 136 N -0.64 -1.83 -2.73 -0.78 4.76 -1.00 -4.92 118.16 111.02 1ddm n LYS 136 Ca 0.00 0.61 -0.23 0.00 -2.87 0.00 0.00 58.31 55.82 1ddm n LYS 136 Cb 0.00 -5.03 0.03 0.00 -1.84 0.00 0.00 35.03 28.18 1ddm n LYS 136 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ddm s GLY 137 N -2.00 1.69 -0.33 0.72 0.00 -1.26 -4.60 107.32 101.54 1ddm s GLY 137 Ca 0.00 -1.13 -0.13 0.00 0.00 0.00 0.00 44.72 43.46 1ddm s GLY 137 CO 0.00 -0.89 0.25 -2.27 0.00 0.00 0.00 173.10 170.19 1ddm s LEU 138 N -4.73 4.41 -0.24 0.66 2.96 -1.26 -0.86 118.68 119.62 1ddm s LEU 138 Ca 0.54 -0.30 -0.18 0.00 -0.22 0.00 0.00 54.13 53.96 1ddm s LEU 138 Cb -0.10 -2.17 -0.16 0.00 0.50 0.00 0.00 46.19 44.26 1ddm s LEU 138 CO 0.39 -0.22 -0.05 2.30 -1.32 0.00 0.00 176.35 177.46 1ddm n ILE 139 N 5.12 1.53 -3.67 6.68 -5.35 -0.98 -4.79 119.36 117.91 1ddm n ILE 139 Ca -0.12 -0.18 -0.38 0.00 -0.27 0.00 0.00 62.75 61.79 1ddm n ILE 139 Cb 0.50 -1.98 -0.09 0.00 -1.74 0.00 0.00 39.64 36.33 1ddm n ILE 139 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1ddm s VAL 140 N -2.43 3.86 -0.95 7.28 1.01 -1.26 -4.98 120.40 122.92 1ddm s VAL 140 Ca -0.33 -2.40 -0.01 0.00 0.00 0.00 0.00 61.98 59.24 1ddm s VAL 140 Cb 0.10 -3.54 0.30 0.00 0.00 0.00 0.00 36.38 33.24 1ddm s VAL 140 CO 0.54 -0.81 1.38 -0.67 0.00 0.00 0.00 175.10 175.53 1ddm n ASP 141 N 4.16 5.99 -2.54 3.32 2.03 -1.26 -3.47 116.55 124.77 1ddm n ASP 141 Ca 0.02 -3.49 -0.06 0.00 0.52 0.00 0.00 54.79 51.78 1ddm n ASP 141 Cb 0.40 -1.09 -0.01 0.00 -0.72 0.00 0.00 41.12 39.70 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 0.86 1.54 -4.18 -0.67 1.13 -1.25 -5.09 117.38 109.72 1ddm n GLN 142 Ca 0.31 -0.70 -0.17 0.00 -1.94 0.00 0.00 57.00 54.49 1ddm n GLN 142 Cb 0.34 0.13 -0.12 0.00 0.11 0.00 0.00 30.24 30.70 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 -0.93 1.09 0.45 5.09 2.01 -1.26 -3.49 115.64 118.59 1ddm s THR 143 Ca 0.03 -1.43 0.11 0.00 0.31 0.00 0.00 61.69 60.71 1ddm s THR 143 Cb -0.00 -1.19 0.24 0.00 0.01 0.00 0.00 72.50 71.56 1ddm s THR 143 CO 0.02 -0.33 2.05 0.40 -0.69 0.00 0.00 174.62 176.07 1ddm h ILE 144 N 4.02 1.09 -0.01 1.82 2.04 -1.89 0.19 117.51 124.77 1ddm h ILE 144 Ca -0.40 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1ddm h ILE 144 Cb 1.19 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1ddm h ILE 144 CO 0.44 0.10 -0.35 -0.62 0.00 0.00 0.00 178.15 177.73 1ddm n GLU 145 N -4.44 0.58 0.00 2.37 1.02 -1.26 -4.00 120.64 114.91 1ddm n GLU 145 Ca -0.00 -0.35 -0.19 0.00 -0.02 0.00 0.00 57.16 56.60 1ddm n GLU 145 Cb 0.13 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.92 1ddm n GLU 145 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ddm n LYS 146 N -0.91 0.73 -1.72 3.49 3.00 -0.08 -4.91 118.16 117.77 1ddm n LYS 146 Ca 0.10 0.27 -0.43 0.00 -0.00 0.00 0.00 58.31 58.26 1ddm n LYS 146 Cb 0.35 -1.73 -0.02 0.00 0.00 0.00 0.00 35.03 33.62 1ddm n LYS 146 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1ddm n VAL 147 N -3.39 0.86 0.26 3.15 0.24 -0.44 -4.86 118.33 114.16 1ddm n VAL 147 Ca -0.28 -0.22 0.15 0.00 -2.04 0.00 0.00 64.34 61.95 1ddm n VAL 147 Cb 1.05 -1.84 0.62 0.00 -1.47 0.00 0.00 33.84 32.20 1ddm n VAL 147 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1ddm h SER 148 N 4.91 0.00 -4.09 -1.34 0.87 -1.49 -3.46 113.55 108.94 1ddm h SER 148 Ca -0.46 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.21 1ddm h SER 148 Cb 1.23 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.97 1ddm h SER 148 CO 0.81 0.06 0.60 0.12 -0.53 0.00 0.00 176.83 177.89 1ddm s PHE 149 N -3.67 -0.32 -0.04 2.24 5.36 -1.19 -4.82 117.98 115.55 1ddm s PHE 149 Ca 0.01 0.48 0.06 0.00 -0.96 0.00 0.00 56.93 56.52 1ddm s PHE 149 Cb 0.09 0.47 -0.01 0.00 -0.34 0.00 0.00 43.02 43.23 1ddm s PHE 149 CO 0.57 -0.33 -0.21 0.00 -1.46 0.00 0.00 175.22 173.79 1ddm s ALA 151 N -0.24 -2.62 0.00 0.00 0.00 -1.17 -4.81 121.76 112.92 1ddm s ALA 151 Ca 0.01 2.08 0.00 0.00 0.00 0.00 0.00 51.96 54.06 1ddm s ALA 151 Cb -0.11 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1ddm s ALA 151 CO 0.01 -0.96 0.00 -0.35 0.00 0.00 0.00 175.76 174.46 1ddm n PRO 152 N 5.05 0.00 -0.63 0.00 -0.04 -1.26 -2.07 135.00 136.05 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 0.52 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 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 0.92 -0.08 3.54 5.68 -1.03 -3.66 116.55 121.92 1ddm n ASP 153 Ca 0.00 -0.31 0.03 0.00 -0.50 0.00 0.00 54.79 54.01 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 1.69 0.00 0.11 1.85 -1.26 -4.96 116.66 114.09 1ddm n ARG 154 Ca 0.00 -1.67 0.00 0.00 -1.00 0.00 0.00 57.85 55.18 1ddm n ARG 154 Cb 0.00 -1.04 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 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 -0.69 0.00 0.00 2.89 5.15 -1.26 -5.05 115.26 116.30 1ddm n ASN 155 Ca 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 1ddm n ASN 155 Cb 0.46 0.19 0.00 0.00 -0.53 0.00 0.00 39.78 39.91 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 -1.59 0.00 0.35 1.20 -0.00 -1.26 -5.01 115.22 108.91 1ddm n HIS 156 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 1ddm n HIS 156 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.05 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 1.50 -4.14 1.57 -0.58 -1.26 -4.85 120.64 112.88 1ddm n GLU 157 Ca 0.00 -0.91 -0.37 0.00 -0.42 0.00 0.00 57.16 55.47 1ddm n GLU 157 Cb 0.00 -1.41 -0.07 0.00 -0.57 0.00 0.00 31.44 29.39 1ddm n GLU 157 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1ddm n ARG 158 N 0.04 -0.84 -4.80 3.49 0.00 -1.26 -4.90 116.66 108.39 1ddm n ARG 158 Ca 0.16 0.12 -0.27 0.00 -0.00 0.00 0.00 57.85 57.86 1ddm n ARG 158 Cb 0.80 -4.23 -0.17 0.00 -0.00 0.00 0.00 32.46 28.87 1ddm n ARG 158 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1ddm s GLY 159 N -2.96 0.99 0.15 2.89 0.00 -1.26 -2.99 107.32 104.13 1ddm s GLY 159 Ca 0.72 -0.62 0.07 0.00 0.00 0.00 0.00 44.72 44.89 1ddm s GLY 159 CO 0.88 -0.03 -0.16 -1.36 0.00 0.00 0.00 173.10 172.43 1ddm s PHE 160 N 0.57 1.62 0.14 1.90 0.08 -0.66 -2.46 117.98 119.18 1ddm s PHE 160 Ca -0.16 -0.52 -0.24 0.00 0.12 0.00 0.00 56.93 56.14 1ddm s PHE 160 Cb -0.17 -0.82 0.07 0.00 -0.57 0.00 0.00 43.02 41.54 1ddm s PHE 160 CO 0.05 0.25 0.63 -1.54 -0.10 0.00 0.00 175.22 174.51 1ddm s SER 161 N -2.63 -0.55 -0.01 1.36 1.04 -0.88 -1.51 113.70 110.51 1ddm s SER 161 Ca 0.13 0.00 -0.03 0.00 0.48 0.00 0.00 55.95 56.54 1ddm s SER 161 Cb -0.05 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1ddm s SER 161 CO 0.05 -0.93 0.06 -0.72 0.98 0.00 0.00 173.24 172.68 1ddm s TYR 162 N -3.67 -0.00 0.05 5.02 -0.85 -0.46 -3.04 117.35 114.40 1ddm s TYR 162 Ca 0.01 0.02 0.02 0.00 -0.52 0.00 0.00 57.07 56.60 1ddm s TYR 162 Cb -0.01 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.27 1ddm s TYR 162 CO -0.12 -0.10 0.10 0.42 -1.52 0.00 0.00 175.55 174.33 1ddm s ILE 163 N -0.42 4.73 0.04 -3.49 1.01 -1.20 -1.13 121.20 120.75 1ddm s ILE 163 Ca -0.05 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1ddm s ILE 163 Cb -0.03 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 1ddm s ILE 163 CO 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 174.94 175.05 1ddm s ARG 165 N -1.40 1.99 2.79 0.00 0.52 -1.26 -2.90 118.95 118.68 1ddm s ARG 165 Ca -0.08 -1.75 0.00 0.00 -0.52 0.00 0.00 55.73 53.38 1ddm s ARG 165 Cb -0.09 -3.48 0.00 0.00 0.52 0.00 0.00 34.95 31.90 1ddm s ARG 165 CO 0.01 -0.99 0.00 -0.25 0.02 0.00 0.00 175.30 174.08 1ddm n ASP 166 N 4.55 -0.63 0.00 0.23 9.92 0.79 -4.85 116.55 126.55 1ddm n ASP 166 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1ddm n ASP 166 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 1ddm n ASP 166 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ddm n GLY 167 N 0.00 2.95 0.00 0.44 0.00 -1.26 -3.99 105.19 103.33 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 0.00 2.61 5.66 -1.26 -4.95 114.28 114.34 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 -2.48 1.09 -1.04 -1.26 -5.02 114.28 105.57 1ddm n THR 169 Ca 0.00 -0.04 -0.21 0.00 -2.04 0.00 0.00 64.05 61.76 1ddm n THR 169 Cb 0.10 0.40 -0.00 0.00 -1.82 0.00 0.00 70.33 69.00 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 -0.89 -2.09 -1.59 -2.82 1.74 -1.26 -4.88 116.66 104.87 1ddm n ARG 170 Ca 0.00 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 58.08 1ddm n ARG 170 Cb 0.00 -5.70 0.00 0.00 -1.02 0.00 0.00 32.46 25.74 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 -3.14 0.00 -3.44 5.56 1.85 -1.26 -4.90 116.66 111.32 1ddm n ARG 171 Ca -0.23 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.20 1ddm n ARG 171 Cb 0.68 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.99 1ddm n ARG 171 CO 0.00 0.00 0.00 1.67 -0.01 0.00 0.00 177.63 179.29 1ddm s TRP 172 N -2.17 3.22 0.02 2.89 -2.14 -1.26 -0.15 118.94 119.35 1ddm s TRP 172 Ca 0.00 -0.34 0.00 0.00 2.66 0.00 0.00 56.10 58.42 1ddm s TRP 172 Cb 0.00 -2.64 -0.02 0.00 -3.10 0.00 0.00 33.47 27.71 1ddm s TRP 172 CO 0.00 -0.52 -0.03 -1.64 -2.66 0.00 0.00 176.95 172.09 1ddm s MET 173 N 1.85 0.33 0.08 3.25 -1.94 -1.14 -3.56 119.30 118.16 1ddm s MET 173 Ca 0.08 -0.62 0.09 0.00 -1.71 0.00 0.00 55.69 53.53 1ddm s MET 173 Cb -0.18 0.07 -0.04 0.00 2.01 0.00 0.00 34.83 36.70 1ddm s MET 173 CO 0.11 -0.04 -0.21 0.00 -0.01 0.00 0.00 175.02 174.87 1ddm s HIS 175 N -0.99 2.70 0.14 0.00 3.76 -0.28 -1.56 115.29 119.05 1ddm s HIS 175 Ca 0.15 -0.33 0.06 0.00 -0.15 0.00 0.00 55.06 54.79 1ddm s HIS 175 Cb -0.10 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.87 1ddm s HIS 175 CO 0.06 0.05 -0.14 0.20 -0.85 0.00 0.00 174.74 174.07 1ddm s GLY 176 N -0.42 1.17 -0.06 -2.22 0.00 -1.19 -1.35 107.32 103.25 1ddm s GLY 176 Ca 0.05 -1.41 -0.29 0.00 0.00 0.00 0.00 44.72 43.07 1ddm s GLY 176 CO 0.02 -1.48 0.90 -0.11 0.00 0.00 0.00 173.10 172.43 1ddm s PHE 177 N -2.48 -0.39 0.53 1.90 -0.71 -0.57 -2.38 117.98 113.89 1ddm s PHE 177 Ca 0.13 0.43 0.05 0.00 -1.04 0.00 0.00 56.93 56.50 1ddm s PHE 177 Cb -0.03 0.50 0.02 0.00 -1.21 0.00 0.00 43.02 42.30 1ddm s PHE 177 CO 0.04 -0.49 0.32 -0.51 -1.34 0.00 0.00 175.22 173.23 1ddm s LEU 178 N -1.92 2.64 -0.17 -1.99 1.43 -1.18 -1.65 118.68 115.84 1ddm s LEU 178 Ca 0.01 -1.32 -0.02 0.00 -1.03 0.00 0.00 54.13 51.78 1ddm s LEU 178 Cb -0.01 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 1ddm s LEU 178 CO -0.04 -1.03 -0.10 0.00 0.23 0.00 0.00 176.35 175.41 1ddm s ALA 179 N -2.78 2.68 -1.49 4.21 0.00 -1.16 -1.76 121.76 121.45 1ddm s ALA 179 Ca 0.29 -1.01 0.17 0.00 0.00 0.00 0.00 51.96 51.41 1ddm s ALA 179 Cb -0.01 -1.40 0.87 0.00 0.00 0.00 0.00 23.12 22.58 1ddm s ALA 179 CO 0.18 -0.04 1.49 0.00 0.00 0.00 0.00 175.76 177.39 1ddm n LYS 181 N -1.25 0.72 -2.83 0.00 4.76 -1.26 -5.02 118.16 113.28 1ddm n LYS 181 Ca 0.09 0.26 -0.05 0.00 -2.87 0.00 0.00 58.31 55.74 1ddm n LYS 181 Cb 0.13 -1.71 0.01 0.00 -1.84 0.00 0.00 35.03 31.61 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 -3.36 -7.85 0.00 4.39 8.00 -1.06 -4.97 116.55 111.71 1ddm n ASP 182 Ca -0.29 0.99 0.00 0.00 0.71 0.00 0.00 54.79 56.19 1ddm n ASP 182 Cb 1.05 -5.03 0.00 0.00 -0.02 0.00 0.00 41.12 37.12 1ddm n ASP 182 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ddm n SER 183 N 0.33 0.00 -0.27 -2.24 2.88 -1.26 -5.02 113.62 108.04 1ddm n SER 183 Ca 0.04 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.55 1ddm n SER 183 Cb 0.23 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.67 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 -1.23 0.65 0.00 0.46 0.00 -1.26 -4.84 105.19 98.97 1ddm n GLY 184 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.73 -0.21 -0.06 1.61 2.13 -1.26 -3.92 120.64 116.20 1ddm n GLU 185 Ca -0.03 -0.26 -0.07 0.00 0.66 0.00 0.00 57.16 57.45 1ddm n GLU 185 Cb 0.14 -0.69 -0.08 0.00 0.27 0.00 0.00 31.44 31.08 1ddm n GLU 185 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ddm n ARG 186 N -0.02 1.51 -0.03 5.31 5.12 -1.26 -4.63 116.66 122.65 1ddm n ARG 186 Ca 0.00 0.03 -0.05 0.00 -1.93 0.00 0.00 57.85 55.89 1ddm n ARG 186 Cb 0.18 -1.29 -0.03 0.00 -1.16 0.00 0.00 32.46 30.17 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 -2.60 2.19 0.17 0.55 4.32 -1.26 -4.42 117.00 115.95 1ddm n LEU 187 Ca -0.21 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.71 1ddm n LEU 187 Cb 0.84 -0.22 -0.04 0.00 -1.62 0.00 0.00 43.42 42.38 1ddm n LEU 187 CO 0.21 0.46 0.51 -1.28 -1.22 0.00 0.00 177.39 176.07 1ddm h SER 188 N -0.08 -0.44 0.21 -1.43 0.87 -1.88 -1.72 113.55 109.08 1ddm h SER 188 Ca -0.16 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1ddm h SER 188 Cb 1.20 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1ddm h SER 188 CO -0.05 -0.29 0.00 -0.74 -0.53 0.00 0.00 176.83 175.22 1ddm h HIS 189 N -0.46 0.00 0.23 2.24 6.17 -1.82 -2.73 115.15 118.77 1ddm h HIS 189 Ca -0.04 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.02 1ddm h HIS 189 Cb 0.36 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.30 1ddm h HIS 189 CO 0.08 0.00 -0.11 0.00 0.71 0.00 0.00 177.93 178.60 1ddm h ALA 190 N 2.05 -0.31 0.00 5.26 0.00 -1.69 -3.23 119.26 121.34 1ddm h ALA 190 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ddm h ALA 190 Cb 0.11 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ddm h ALA 190 CO 0.00 -0.36 0.00 -0.24 0.00 0.00 0.00 179.25 178.65 1ddm h VAL 191 N -0.95 0.00 0.00 0.00 3.04 -1.11 -1.43 116.25 115.81 1ddm h VAL 191 Ca -0.03 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1ddm h VAL 191 Cb 0.48 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1ddm h VAL 191 CO 0.05 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.22 1ddm n GLY 192 N -0.52 -0.88 0.00 3.17 0.00 -1.05 -2.70 105.19 103.21 1ddm n GLY 192 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ddm n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddm h ALA 194 N 0.00 0.09 -0.06 0.00 0.00 -1.50 -3.25 119.26 114.53 1ddm h ALA 194 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 1ddm h ALA 194 Cb 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ddm h ALA 194 CO 0.00 0.61 -0.36 0.27 0.00 0.00 0.00 179.25 179.77 1ddm h PHE 195 N 0.26 0.14 0.00 0.00 -0.00 -1.84 -2.48 116.94 113.02 1ddm h PHE 195 Ca -0.13 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 57.79 1ddm h PHE 195 Cb 1.66 -0.03 -0.00 0.00 -0.00 0.00 0.00 35.95 37.58 1ddm h PHE 195 CO 0.12 0.47 -0.07 0.00 -0.00 0.00 0.00 178.31 178.83 1ddm h ALA 196 N 1.53 1.83 -0.06 12.09 0.00 -1.84 -0.68 119.26 132.13 1ddm h ALA 196 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ddm h ALA 196 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ddm h ALA 196 CO 0.05 0.08 0.00 0.28 0.00 0.00 0.00 179.25 179.66 1ddm n VAL 197 N -4.37 0.05 -0.03 0.00 0.31 -0.98 -4.28 118.33 109.03 1ddm n VAL 197 Ca -0.03 -0.51 -0.19 0.00 -0.01 0.00 0.00 64.34 63.61 1ddm n VAL 197 Cb 0.15 1.38 -0.14 0.00 -0.91 0.00 0.00 33.84 34.32 1ddm n VAL 197 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddm n LEU 199 N -3.35 2.50 -0.05 0.00 -0.00 -0.94 -4.07 117.00 111.09 1ddm n LEU 199 Ca -0.33 -1.26 -0.00 0.00 -0.00 0.00 0.00 56.01 54.42 1ddm n LEU 199 Cb 1.04 -0.46 0.28 0.00 -0.00 0.00 0.00 43.42 44.28 1ddm n LEU 199 CO 0.40 0.40 0.98 -0.33 -0.00 0.00 0.00 177.39 178.84 1ddm h GLU 200 N 1.63 0.63 -0.03 1.47 4.39 -1.74 -3.51 114.58 117.42 1ddm h GLU 200 Ca 0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1ddm h GLU 200 Cb 0.88 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1ddm h GLU 200 CO 0.14 0.59 0.00 -2.13 -1.16 0.00 0.00 179.01 176.45