#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddm n GLN 68 N 0.00 0.00 0.23 1.57 6.02 -1.26 -4.93 117.38 119.00 1ddm n GLN 68 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1ddm n GLN 68 Cb 0.00 0.00 0.53 0.00 1.02 0.00 0.00 30.24 31.79 1ddm n GLN 68 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1ddm h TRP 69 N 0.00 0.00 0.00 1.08 4.06 -2.02 -1.29 115.95 117.78 1ddm h TRP 69 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ddm h TRP 69 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1ddm h TRP 69 CO 0.00 0.22 0.00 1.04 -3.56 0.00 0.00 178.44 176.14 1ddm n GLN 70 N -3.94 0.02 -0.02 0.49 6.02 -1.26 -0.89 117.38 117.79 1ddm n GLN 70 Ca -0.02 0.31 0.02 0.00 -0.01 0.00 0.00 57.00 57.30 1ddm n GLN 70 Cb 0.31 -1.53 -0.10 0.00 1.02 0.00 0.00 30.24 29.93 1ddm n GLN 70 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ddm n ALA 71 N -1.52 2.23 0.03 -1.58 0.00 -0.53 -4.35 120.51 114.79 1ddm n ALA 71 Ca 0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 53.44 52.93 1ddm n ALA 71 Cb 0.15 -0.31 -0.10 0.00 0.00 0.00 0.00 19.45 19.19 1ddm n ALA 71 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ddm h ASP 72 N 0.00 0.00 -0.12 0.00 3.32 -0.93 -3.04 116.42 115.65 1ddm h ASP 72 Ca -0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1ddm h ASP 72 Cb 1.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 1ddm h ASP 72 CO 0.01 0.83 -0.02 -0.33 -1.72 0.00 0.00 179.24 178.02 1ddm h GLU 73 N 0.00 0.22 0.00 3.56 4.39 -1.24 -2.89 114.58 118.62 1ddm h GLU 73 Ca -0.15 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 1ddm h GLU 73 Cb 1.77 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.39 1ddm h GLU 73 CO 0.08 0.50 -0.33 1.05 -1.16 0.00 0.00 179.01 179.15 1ddm h GLU 74 N -0.07 0.00 -0.21 2.33 4.11 -1.76 -3.07 114.58 115.91 1ddm h GLU 74 Ca 0.03 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.48 1ddm h GLU 74 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1ddm h GLU 74 CO 0.01 0.33 0.08 0.00 0.07 0.00 0.00 179.01 179.50 1ddm h ALA 75 N 1.67 0.24 -0.71 1.06 0.00 -1.39 0.05 119.26 120.18 1ddm h ALA 75 Ca -0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ddm h ALA 75 Cb 0.74 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1ddm h ALA 75 CO 0.04 -0.33 0.47 0.28 0.00 0.00 0.00 179.25 179.71 1ddm h VAL 76 N 0.19 1.14 -0.47 0.00 2.07 -1.42 -0.64 116.25 117.11 1ddm h VAL 76 Ca 0.09 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1ddm h VAL 76 Cb 0.04 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1ddm h VAL 76 CO -0.08 0.17 -0.01 0.03 0.02 0.00 0.00 177.57 177.69 1ddm h ARG 77 N 0.90 0.79 0.00 1.57 3.08 -1.33 -0.88 114.38 118.51 1ddm h ARG 77 Ca 0.27 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ddm h ARG 77 Cb -0.01 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1ddm h ARG 77 CO -0.07 0.81 0.00 0.45 -1.07 0.00 0.00 179.97 180.09 1ddm n SER 78 N -4.21 0.00 -2.09 7.04 2.88 -0.08 -4.89 113.62 112.28 1ddm n SER 78 Ca 0.02 -0.02 -0.09 0.00 -1.33 0.00 0.00 58.87 57.46 1ddm n SER 78 Cb 0.31 -0.30 0.04 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.30 -0.85 -2.81 -1.46 0.00 -0.39 -5.01 120.51 108.69 1ddm n ALA 79 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1ddm n ALA 79 Cb 0.19 -1.86 0.01 0.00 0.00 0.00 0.00 19.45 17.79 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 -3.16 -0.37 0.00 0.00 -1.32 -0.75 -4.45 115.64 105.58 1ddm s THR 80 Ca 0.09 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1ddm s THR 80 Cb -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.95 1ddm s THR 80 CO 0.34 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.75 1ddm n SER 82 N 0.00 -1.28 -1.14 0.00 7.64 -1.26 -2.18 113.62 115.40 1ddm n SER 82 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1ddm n SER 82 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ddm n SER 82 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ddm n PHE 83 N 0.00 -1.02 -1.22 1.43 3.72 -1.02 -4.89 117.46 114.46 1ddm n PHE 83 Ca 0.00 -0.15 -0.36 0.00 -0.05 0.00 0.00 57.45 56.89 1ddm n PHE 83 Cb 0.00 0.07 0.08 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.20 -0.74 -1.13 4.37 7.64 -1.26 -1.49 113.62 119.81 1ddm n SER 84 Ca -0.01 0.58 -0.01 0.00 1.01 0.00 0.00 58.87 60.45 1ddm n SER 84 Cb 0.05 -1.28 -0.00 0.00 -1.01 0.00 0.00 64.21 61.96 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 -2.60 0.00 -3.34 0.44 0.24 -0.92 -1.78 118.33 110.37 1ddm n VAL 85 Ca 0.11 -0.11 -0.25 0.00 -2.04 0.00 0.00 64.34 62.04 1ddm n VAL 85 Cb 0.50 0.07 -0.09 0.00 -1.47 0.00 0.00 33.84 32.85 1ddm n VAL 85 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ddm s LYS 86 N -2.05 0.91 -0.32 7.34 -0.14 0.39 -3.84 119.74 122.02 1ddm s LYS 86 Ca 0.02 -2.02 -0.30 0.00 -1.36 0.00 0.00 55.97 52.31 1ddm s LYS 86 Cb -0.00 -1.30 -0.08 0.00 -1.68 0.00 0.00 37.83 34.77 1ddm s LYS 86 CO 0.01 -1.38 2.26 0.98 -0.76 0.00 0.00 175.35 176.46 1ddm n TYR 87 N 2.87 1.73 0.02 3.18 9.36 -1.16 -3.22 117.16 129.94 1ddm n TYR 87 Ca 0.29 0.04 -0.13 0.00 3.32 0.00 0.00 57.90 61.42 1ddm n TYR 87 Cb 0.48 -2.65 -0.09 0.00 -0.63 0.00 0.00 39.34 36.45 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 14.99 -0.08 0.00 2.98 3.38 -1.64 -0.41 115.31 134.53 1ddm h LEU 88 Ca -0.33 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1ddm h LEU 88 Cb 1.27 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1ddm h LEU 88 CO 1.02 0.44 0.00 0.61 0.09 0.00 0.00 178.44 180.60 1ddm n GLY 89 N 0.31 -0.12 3.36 0.83 0.00 -1.23 -3.60 105.19 104.73 1ddm n GLY 89 Ca -0.09 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 0.96 1.33 0.15 0.00 -7.23 -0.75 -4.97 120.40 109.88 1ddm s VAL 91 Ca -0.06 -1.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 1ddm s VAL 91 Cb -0.06 -1.20 -0.08 0.00 0.56 0.00 0.00 36.38 35.61 1ddm s VAL 91 CO -0.08 0.04 1.27 -0.70 -0.31 0.00 0.00 175.10 175.32 1ddm s GLU 92 N -1.27 4.42 0.45 4.82 2.12 -1.26 -1.52 118.70 126.45 1ddm s GLU 92 Ca 0.03 1.95 0.01 0.00 0.36 0.00 0.00 54.97 57.33 1ddm s GLU 92 Cb -0.08 -3.25 0.01 0.00 0.26 0.00 0.00 34.13 31.07 1ddm s GLU 92 CO 0.02 -0.24 0.09 1.33 -0.54 0.00 0.00 175.26 175.92 1ddm n VAL 93 N 3.08 0.00 -3.16 3.70 0.24 -1.25 -4.91 118.33 116.04 1ddm n VAL 93 Ca 0.07 -2.01 -0.18 0.00 -2.04 0.00 0.00 64.34 60.18 1ddm n VAL 93 Cb 0.44 0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 33.06 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 -1.23 0.34 0.07 6.34 7.35 -1.26 -4.73 117.46 124.35 1ddm n PHE 94 Ca -0.14 -3.79 0.00 0.00 -0.76 0.00 0.00 57.45 52.77 1ddm n PHE 94 Cb 0.55 -0.42 0.00 0.00 0.35 0.00 0.00 39.48 39.96 1ddm n PHE 94 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1ddm n GLU 95 N 0.25 0.00 -2.55 -4.13 1.02 -1.26 -5.03 120.64 108.94 1ddm n GLU 95 Ca 0.25 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.17 1ddm n GLU 95 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 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 -2.72 -5.96 -3.00 1.62 7.64 -1.26 -4.92 113.62 105.01 1ddm n SER 96 Ca 0.00 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1ddm n SER 96 Cb 0.00 -4.92 -0.00 0.00 -1.01 0.00 0.00 64.21 58.28 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 -5.21 0.63 0.00 1.43 1.70 -1.26 -4.80 118.95 111.45 1ddm s ARG 97 Ca 0.08 -0.30 0.00 0.00 -0.47 0.00 0.00 55.73 55.04 1ddm s ARG 97 Cb -0.03 0.05 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 1ddm s ARG 97 CO 0.10 -0.89 0.00 0.41 -1.08 0.00 0.00 175.30 173.84 1ddm n GLY 98 N 3.92 3.33 0.16 3.88 0.00 -1.26 -4.94 105.19 110.28 1ddm n GLY 98 Ca 0.10 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 1ddm n GLY 98 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ddm h MET 99 N 0.00 0.52 0.00 1.61 4.05 -1.99 -3.19 114.93 115.92 1ddm h MET 99 Ca 0.00 -0.63 -0.02 0.00 -0.28 0.00 0.00 59.70 58.77 1ddm h MET 99 Cb 0.00 0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1ddm h MET 99 CO 0.00 1.25 -0.09 -0.56 0.23 0.00 0.00 176.91 177.74 1ddm h GLN 100 N 0.26 0.00 -0.30 0.39 3.07 -1.99 -2.64 115.11 113.90 1ddm h GLN 100 Ca -0.13 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.60 1ddm h GLN 100 Cb 1.76 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.30 1ddm h GLN 100 CO 0.20 0.09 0.15 0.28 0.09 0.00 0.00 178.83 179.64 1ddm h VAL 101 N 0.00 1.10 0.24 1.86 2.07 -1.91 -1.33 116.25 118.29 1ddm h VAL 101 Ca -0.00 -0.29 -0.33 0.00 0.82 0.00 0.00 66.70 66.90 1ddm h VAL 101 Cb 0.44 0.72 0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1ddm h VAL 101 CO 0.01 0.12 -1.46 0.00 0.02 0.00 0.00 177.57 176.26 1ddm h GLU 103 N 0.14 0.00 0.00 0.00 4.22 -1.44 -1.29 114.58 116.22 1ddm h GLU 103 Ca -0.24 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.17 1ddm h GLU 103 Cb 2.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.40 1ddm h GLU 103 CO 0.27 0.18 -0.16 0.93 -2.18 0.00 0.00 179.01 178.05 1ddm h GLU 104 N 0.00 0.00 -0.72 1.92 5.08 -1.31 -3.30 114.58 116.24 1ddm h GLU 104 Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1ddm h GLU 104 Cb 0.35 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1ddm h GLU 104 CO 0.02 0.91 0.48 0.00 -1.00 0.00 0.00 179.01 179.42 1ddm h ALA 105 N -0.15 1.58 -0.92 3.43 0.00 -1.41 -1.72 119.26 120.07 1ddm h ALA 105 Ca -0.04 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ddm h ALA 105 Cb 0.96 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1ddm h ALA 105 CO -0.03 0.35 0.60 1.25 0.00 0.00 0.00 179.25 181.42 1ddm h LEU 106 N 0.88 0.95 -0.27 0.00 5.85 -1.36 -1.81 115.31 119.55 1ddm h LEU 106 Ca 0.29 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.80 1ddm h LEU 106 Cb 0.05 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1ddm h LEU 106 CO -0.08 0.63 -0.74 0.50 -0.34 0.00 0.00 178.44 178.41 1ddm h LYS 107 N 1.09 0.65 -0.88 1.25 3.64 -1.41 -2.71 116.57 118.20 1ddm h LYS 107 Ca 0.39 -0.52 0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1ddm h LYS 107 Cb 0.13 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 1ddm h LYS 107 CO -0.14 1.14 0.58 0.28 -2.27 0.00 0.00 179.45 179.04 1ddm h VAL 108 N 0.45 1.14 -0.07 2.00 2.07 -0.78 0.10 116.25 121.16 1ddm h VAL 108 Ca -0.04 -0.37 -0.16 0.00 0.82 0.00 0.00 66.70 66.95 1ddm h VAL 108 Cb 1.34 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1ddm h VAL 108 CO 0.14 0.20 -0.66 -0.07 0.02 0.00 0.00 177.57 177.20 1ddm h LEU 109 N 1.08 0.35 -0.06 2.57 3.38 -1.32 0.14 115.31 121.45 1ddm h LEU 109 Ca 0.35 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ddm h LEU 109 Cb 0.04 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1ddm h LEU 109 CO -0.11 0.91 -0.02 0.54 0.09 0.00 0.00 178.44 179.86 1ddm n ARG 110 N -3.84 0.71 -0.00 1.13 5.12 -0.63 -3.17 116.66 115.97 1ddm n ARG 110 Ca -0.03 -0.06 0.01 0.00 -1.93 0.00 0.00 57.85 55.84 1ddm n ARG 110 Cb 0.66 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.44 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 -1.09 3.96 -0.43 5.56 6.02 -0.07 -5.04 117.38 126.28 1ddm n GLN 111 Ca 0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1ddm n GLN 111 Cb 0.20 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 30.67 1ddm n GLN 111 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ddm n SER 112 N -1.26 0.00 -2.03 1.08 3.41 0.46 -5.00 113.62 110.28 1ddm n SER 112 Ca 0.00 -0.63 -0.14 0.00 -0.26 0.00 0.00 58.87 57.83 1ddm n SER 112 Cb 0.06 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.24 1ddm n SER 112 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ddm n ARG 113 N -0.63 2.85 -2.26 4.33 5.12 -1.26 -4.95 116.66 119.86 1ddm n ARG 113 Ca 0.00 -3.06 -0.43 0.00 -1.93 0.00 0.00 57.85 52.43 1ddm n ARG 113 Cb 0.00 -2.16 -0.02 0.00 -1.16 0.00 0.00 32.46 29.11 1ddm n ARG 113 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1ddm s ARG 114 N -3.16 3.75 0.14 5.56 1.81 -1.26 -4.97 118.95 120.82 1ddm s ARG 114 Ca 0.55 1.35 -0.31 0.00 -1.72 0.00 0.00 55.73 55.60 1ddm s ARG 114 Cb 0.46 -3.99 -0.08 0.00 -0.45 0.00 0.00 34.95 30.88 1ddm s ARG 114 CO 0.11 -1.33 1.38 0.50 -0.68 0.00 0.00 175.30 175.28 1ddm s ARG 115 N 4.63 4.33 0.25 3.54 3.00 -1.24 -4.82 118.95 128.65 1ddm s ARG 115 Ca 0.65 2.09 -0.19 0.00 -1.00 0.00 0.00 55.73 57.28 1ddm s ARG 115 Cb -0.19 -3.23 -0.09 0.00 0.00 0.00 0.00 34.95 31.44 1ddm s ARG 115 CO 0.28 -0.41 0.75 -1.25 0.00 0.00 0.00 175.30 174.68 1ddm s PRO 116 N 0.79 4.24 0.18 5.12 0.04 -1.26 -4.51 135.00 139.60 1ddm s PRO 116 Ca 0.63 0.88 0.06 0.00 0.04 0.00 0.00 61.00 62.62 1ddm s PRO 116 Cb -0.37 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 1ddm s PRO 116 CO 0.32 0.33 0.07 0.08 0.04 0.00 0.00 177.00 177.85 1ddm s VAL 117 N -1.63 4.08 -0.35 -0.36 1.01 -0.16 -4.90 120.40 118.10 1ddm s VAL 117 Ca 0.46 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1ddm s VAL 117 Cb -0.16 -3.08 0.09 0.00 0.00 0.00 0.00 36.38 33.23 1ddm s VAL 117 CO 0.20 -0.13 0.07 -0.60 0.00 0.00 0.00 175.10 174.65 1ddm s ARG 118 N -3.09 1.95 0.00 2.72 3.52 -1.26 -2.96 118.95 119.82 1ddm s ARG 118 Ca 0.29 -1.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.23 1ddm s ARG 118 Cb -0.09 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1ddm s ARG 118 CO 0.21 -0.88 0.00 0.41 -0.81 0.00 0.00 175.30 174.23 1ddm n GLY 119 N 4.47 3.33 3.44 8.12 0.00 -1.25 -1.80 105.19 121.50 1ddm n GLY 119 Ca -0.04 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 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 2.93 -0.27 0.99 1.98 0.24 -2.16 118.68 122.40 1ddm s LEU 120 Ca 0.00 -0.23 -0.13 0.00 -2.89 0.00 0.00 54.13 50.89 1ddm s LEU 120 Cb 0.00 -1.67 -0.04 0.00 0.66 0.00 0.00 46.19 45.14 1ddm s LEU 120 CO 0.00 0.19 0.26 -0.22 -1.89 0.00 0.00 176.35 174.70 1ddm s LEU 121 N 0.19 4.04 -0.49 -0.68 2.96 -0.56 -1.27 118.68 122.88 1ddm s LEU 121 Ca -0.06 0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.93 1ddm s LEU 121 Cb -0.15 -2.25 0.13 0.00 0.50 0.00 0.00 46.19 44.42 1ddm s LEU 121 CO 0.04 -0.09 0.33 -1.00 -1.32 0.00 0.00 176.35 174.32 1ddm s HIS 122 N 1.78 3.49 -0.57 5.38 3.76 -0.15 -2.44 115.29 126.54 1ddm s HIS 122 Ca 0.11 -2.15 -0.26 0.00 -0.15 0.00 0.00 55.06 52.60 1ddm s HIS 122 Cb -0.16 -3.40 -0.03 0.00 1.11 0.00 0.00 32.58 30.10 1ddm s HIS 122 CO 0.10 -0.97 2.01 0.08 -0.85 0.00 0.00 174.74 175.11 1ddm s VAL 123 N 1.07 3.26 -0.18 -0.90 1.01 -0.93 -2.46 120.40 121.28 1ddm s VAL 123 Ca 0.08 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.11 1ddm s VAL 123 Cb -0.24 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1ddm s VAL 123 CO -0.02 -0.65 0.18 -0.55 0.00 0.00 0.00 175.10 174.05 1ddm s SER 124 N 9.17 6.30 0.00 3.32 0.15 -1.26 -1.72 113.70 129.66 1ddm s SER 124 Ca 0.76 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1ddm s SER 124 Cb -0.14 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1ddm s SER 124 CO 0.22 0.19 0.35 0.61 1.20 0.00 0.00 173.24 175.82 1ddm n GLY 125 N 3.27 0.99 0.23 9.45 0.00 -0.88 -2.10 105.19 116.15 1ddm n GLY 125 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ddm n GLY 125 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ddm n ASP 126 N 0.23 0.00 0.00 1.61 2.03 -1.26 -4.30 116.55 114.86 1ddm n ASP 126 Ca 0.00 -1.23 0.00 0.00 0.52 0.00 0.00 54.79 54.08 1ddm n ASP 126 Cb 0.18 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 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 0.00 3.06 3.50 0.27 0.00 -0.89 -4.68 105.19 106.45 1ddm n GLY 127 Ca 0.00 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 1.49 -3.55 0.99 4.77 -1.16 -4.29 117.00 115.24 1ddm n LEU 128 Ca 0.00 0.75 -0.17 0.00 -0.03 0.00 0.00 56.01 56.56 1ddm n LEU 128 Cb 0.00 -1.23 -0.13 0.00 -2.33 0.00 0.00 43.42 39.73 1ddm n LEU 128 CO 0.00 -2.78 -0.19 -0.60 -1.33 0.00 0.00 177.39 172.49 1ddm s ARG 129 N -2.27 0.16 -0.27 3.23 3.52 -1.03 -4.10 118.95 118.19 1ddm s ARG 129 Ca 0.71 0.37 -0.04 0.00 -0.13 0.00 0.00 55.73 56.63 1ddm s ARG 129 Cb -0.43 -0.83 0.02 0.00 -1.56 0.00 0.00 34.95 32.14 1ddm s ARG 129 CO 0.52 -0.53 0.01 0.08 -0.81 0.00 0.00 175.30 174.58 1ddm s VAL 130 N 2.34 3.47 0.23 7.11 1.01 -1.25 -0.98 120.40 132.34 1ddm s VAL 130 Ca 0.05 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1ddm s VAL 130 Cb -0.14 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1ddm s VAL 130 CO -0.10 0.14 0.41 -0.69 0.00 0.00 0.00 175.10 174.85 1ddm s VAL 131 N 1.42 5.21 0.41 2.92 1.01 -0.40 -2.36 120.40 128.61 1ddm s VAL 131 Ca 0.02 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1ddm s VAL 131 Cb -0.17 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1ddm s VAL 131 CO -0.01 -0.28 0.60 -1.81 0.00 0.00 0.00 175.10 173.61 1ddm s ASP 132 N -3.53 5.85 0.00 3.32 1.11 -0.79 -0.59 116.67 122.04 1ddm s ASP 132 Ca 0.37 0.10 0.15 0.00 0.18 0.00 0.00 52.55 53.35 1ddm s ASP 132 Cb -0.10 -1.38 -0.04 0.00 1.07 0.00 0.00 42.92 42.47 1ddm s ASP 132 CO 0.30 -0.63 0.78 -0.90 1.18 0.00 0.00 175.17 175.90 1ddm n ASP 133 N -1.94 1.38 -0.07 0.27 5.75 -0.74 -2.75 116.55 118.45 1ddm n ASP 133 Ca 0.01 -1.19 -0.10 0.00 -0.01 0.00 0.00 54.79 53.51 1ddm n ASP 133 Cb 0.58 0.58 -0.08 0.00 -1.03 0.00 0.00 41.12 41.17 1ddm n ASP 133 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1ddm n GLU 134 N -0.40 0.88 -0.00 0.11 0.28 -1.26 -4.71 120.64 115.54 1ddm n GLU 134 Ca 0.06 0.06 0.01 0.00 -0.16 0.00 0.00 57.16 57.12 1ddm n GLU 134 Cb 0.30 -1.32 -0.01 0.00 1.43 0.00 0.00 31.44 31.84 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 -2.81 0.00 -1.83 3.84 5.66 -1.26 -5.00 114.28 112.88 1ddm n THR 135 Ca -0.26 -0.36 -0.20 0.00 -3.05 0.00 0.00 64.05 60.18 1ddm n THR 135 Cb 0.83 0.87 -0.06 0.00 -1.55 0.00 0.00 70.33 70.42 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 -1.15 -1.53 -0.07 1.09 4.76 -1.11 -4.92 118.16 115.23 1ddm n LYS 136 Ca 0.00 1.13 0.00 0.00 -2.87 0.00 0.00 58.31 56.57 1ddm n LYS 136 Cb 0.02 -5.59 0.00 0.00 -1.84 0.00 0.00 35.03 27.62 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 -0.56 0.26 3.26 0.72 0.00 -1.26 -4.44 105.19 103.17 1ddm n GLY 137 Ca -0.21 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 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 2.49 -0.11 0.99 2.96 -1.26 -1.89 118.68 121.87 1ddm s LEU 138 Ca 0.00 -0.48 0.17 0.00 -0.22 0.00 0.00 54.13 53.60 1ddm s LEU 138 Cb 0.00 -1.58 -0.25 0.00 0.50 0.00 0.00 46.19 44.87 1ddm s LEU 138 CO 0.00 0.07 0.21 2.30 -1.32 0.00 0.00 176.35 177.61 1ddm n ILE 139 N 4.19 0.66 -3.68 6.68 -5.35 -1.00 -4.83 119.36 116.04 1ddm n ILE 139 Ca -0.19 -0.60 -0.30 0.00 -0.27 0.00 0.00 62.75 61.40 1ddm n ILE 139 Cb 0.51 -0.27 -0.14 0.00 -1.74 0.00 0.00 39.64 38.01 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 -2.80 0.95 -1.14 7.28 1.01 -1.26 -5.04 120.40 119.40 1ddm s VAL 140 Ca -0.08 -1.87 -0.07 0.00 0.00 0.00 0.00 61.98 59.97 1ddm s VAL 140 Cb 0.08 -1.69 0.26 0.00 0.00 0.00 0.00 36.38 35.03 1ddm s VAL 140 CO 0.74 -0.81 1.53 -0.67 0.00 0.00 0.00 175.10 175.89 1ddm n ASP 141 N 4.24 5.91 -3.54 3.32 2.03 -1.26 -3.80 116.55 123.46 1ddm n ASP 141 Ca 0.04 -3.27 -0.19 0.00 0.52 0.00 0.00 54.79 51.89 1ddm n ASP 141 Cb 0.38 -1.35 -0.04 0.00 -0.72 0.00 0.00 41.12 39.39 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 2.38 1.20 -4.07 -0.67 6.02 -1.26 -5.10 117.38 115.89 1ddm n GLN 142 Ca 0.30 -2.22 -0.12 0.00 -0.01 0.00 0.00 57.00 54.95 1ddm n GLN 142 Cb 0.35 0.65 -0.11 0.00 1.02 0.00 0.00 30.24 32.15 1ddm n GLN 142 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1ddm s THR 143 N -2.14 0.51 0.23 5.09 2.01 -1.26 -3.00 115.64 117.07 1ddm s THR 143 Ca 0.01 -1.22 -0.08 0.00 0.31 0.00 0.00 61.69 60.72 1ddm s THR 143 Cb 0.00 -0.77 0.20 0.00 0.01 0.00 0.00 72.50 71.94 1ddm s THR 143 CO 0.01 -0.49 1.86 0.40 -0.69 0.00 0.00 174.62 175.71 1ddm h ILE 144 N 4.24 1.25 -0.00 1.82 1.08 -1.84 -0.87 117.51 123.18 1ddm h ILE 144 Ca -0.35 -0.59 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 1ddm h ILE 144 Cb 1.20 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1ddm h ILE 144 CO 0.45 0.27 -0.12 -1.84 -0.69 0.00 0.00 178.15 176.23 1ddm n GLU 145 N -4.37 0.49 0.00 2.37 0.28 -1.26 -3.71 120.64 114.43 1ddm n GLU 145 Ca 0.09 -0.14 -0.22 0.00 -0.16 0.00 0.00 57.16 56.73 1ddm n GLU 145 Cb 0.08 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.32 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 0.35 0.24 -6.56 3.44 3.64 -1.61 -3.46 116.57 112.61 1ddm h LYS 146 Ca 0.00 -0.41 -0.53 0.00 -1.27 0.00 0.00 60.65 58.44 1ddm h LYS 146 Cb 0.38 0.15 0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1ddm h LYS 146 CO 0.00 1.20 0.90 0.14 -2.27 0.00 0.00 179.45 179.42 1ddm s VAL 147 N -2.50 2.80 0.33 2.00 -7.23 -0.49 -4.89 120.40 110.42 1ddm s VAL 147 Ca -0.21 0.50 0.03 0.00 -1.81 0.00 0.00 61.98 60.49 1ddm s VAL 147 Cb 0.05 -3.32 0.19 0.00 0.56 0.00 0.00 36.38 33.86 1ddm s VAL 147 CO 0.76 0.03 1.90 -1.28 -0.31 0.00 0.00 175.10 176.20 1ddm h SER 148 N 7.24 0.60 -5.00 4.85 0.87 -1.30 -3.45 113.55 117.36 1ddm h SER 148 Ca -0.42 -0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 59.93 1ddm h SER 148 Cb 1.20 -0.15 -0.20 0.00 -0.44 0.00 0.00 62.40 62.81 1ddm h SER 148 CO 0.91 0.59 -0.35 -0.36 -0.53 0.00 0.00 176.83 177.09 1ddm s PHE 149 N -5.21 -0.08 -0.57 2.24 0.40 -1.21 -4.97 117.98 108.59 1ddm s PHE 149 Ca -0.09 0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.35 1ddm s PHE 149 Cb 0.16 0.04 0.17 0.00 0.51 0.00 0.00 43.02 43.90 1ddm s PHE 149 CO 0.77 -0.37 0.42 0.00 0.70 0.00 0.00 175.22 176.74 1ddm s ALA 151 N -0.73 2.95 0.00 0.00 0.00 -0.80 -4.98 121.76 118.20 1ddm s ALA 151 Ca 0.28 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1ddm s ALA 151 Cb -0.02 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1ddm s ALA 151 CO -0.17 0.13 0.00 -0.35 0.00 0.00 0.00 175.76 175.38 1ddm n PRO 152 N 3.69 0.00 -3.08 0.00 -0.04 -1.26 -1.07 135.00 133.24 1ddm n PRO 152 Ca -0.17 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.20 1ddm n PRO 152 Cb 0.52 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 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 -0.02 -1.29 0.00 3.54 5.75 -1.15 -3.88 116.55 119.50 1ddm n ASP 153 Ca 0.00 -2.21 0.00 0.00 -0.01 0.00 0.00 54.79 52.57 1ddm n ASP 153 Cb 0.00 2.25 0.00 0.00 -1.03 0.00 0.00 41.12 42.34 1ddm n ASP 153 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1ddm n ARG 154 N -0.39 0.84 0.00 0.11 1.85 -1.26 -4.95 116.66 112.86 1ddm n ARG 154 Ca -0.03 -0.17 0.00 0.00 -1.00 0.00 0.00 57.85 56.65 1ddm n ARG 154 Cb 0.41 -0.58 0.00 0.00 -1.05 0.00 0.00 32.46 31.24 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 -0.17 0.00 0.00 2.89 5.15 -1.26 -5.06 115.26 116.81 1ddm n ASN 155 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ddm n ASN 155 Cb 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 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 -0.60 0.00 1.44 1.20 -0.00 -1.26 -5.00 115.22 111.00 1ddm n HIS 156 Ca 0.00 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.23 1ddm n HIS 156 Cb 0.00 0.00 0.32 0.00 -0.12 0.00 0.00 29.99 30.19 1ddm n HIS 156 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1ddm n GLU 157 N 0.00 0.72 -2.14 1.57 0.28 -1.26 -4.83 120.64 114.99 1ddm n GLU 157 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 1ddm n GLU 157 Cb 0.00 -1.23 -0.02 0.00 1.43 0.00 0.00 31.44 31.61 1ddm n GLU 157 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ddm n ARG 158 N -0.73 -1.85 -4.31 3.44 3.00 -1.26 -4.82 116.66 110.13 1ddm n ARG 158 Ca 0.08 0.77 -0.33 0.00 -0.01 0.00 0.00 57.85 58.36 1ddm n ARG 158 Cb 0.04 -5.29 -0.09 0.00 0.00 0.00 0.00 32.46 27.12 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 -2.10 1.87 0.34 -0.13 0.00 -1.26 -2.62 107.32 103.42 1ddm s GLY 159 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 44.72 43.89 1ddm s GLY 159 CO 0.00 -0.72 -0.00 -1.36 0.00 0.00 0.00 173.10 171.01 1ddm s PHE 160 N -1.02 2.19 0.19 1.90 0.08 -0.30 -2.92 117.98 118.10 1ddm s PHE 160 Ca 0.17 -0.75 -0.23 0.00 0.12 0.00 0.00 56.93 56.24 1ddm s PHE 160 Cb -0.11 -1.42 0.05 0.00 -0.57 0.00 0.00 43.02 40.97 1ddm s PHE 160 CO 0.08 0.28 0.75 -1.54 -0.10 0.00 0.00 175.22 174.69 1ddm s SER 161 N -3.56 -0.34 -0.15 1.36 1.04 -0.23 -1.92 113.70 109.89 1ddm s SER 161 Ca 0.34 -0.34 -0.16 0.00 0.48 0.00 0.00 55.95 56.27 1ddm s SER 161 Cb 0.07 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.85 1ddm s SER 161 CO 0.16 -1.08 0.45 -0.72 0.98 0.00 0.00 173.24 173.02 1ddm s TYR 162 N -3.67 -0.48 0.04 5.02 -0.85 -0.88 -1.90 117.35 114.64 1ddm s TYR 162 Ca 0.08 1.13 0.02 0.00 -0.52 0.00 0.00 57.07 57.79 1ddm s TYR 162 Cb -0.03 0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.44 1ddm s TYR 162 CO -0.01 -0.26 0.04 0.42 -1.52 0.00 0.00 175.55 174.22 1ddm s ILE 163 N 0.07 4.34 -0.24 -3.49 1.09 -1.16 -1.33 121.20 120.49 1ddm s ILE 163 Ca -0.01 -0.71 -0.03 0.00 -1.10 0.00 0.00 60.65 58.80 1ddm s ILE 163 Cb -0.03 -3.02 0.11 0.00 -1.06 0.00 0.00 42.46 38.45 1ddm s ILE 163 CO 0.01 0.23 0.26 0.00 -0.10 0.00 0.00 174.94 175.34 1ddm s ARG 165 N 2.35 4.48 0.67 0.00 1.70 -1.26 -3.81 118.95 123.08 1ddm s ARG 165 Ca 0.08 1.04 0.00 0.00 -0.47 0.00 0.00 55.73 56.38 1ddm s ARG 165 Cb -0.15 -3.40 0.00 0.00 -0.57 0.00 0.00 34.95 30.83 1ddm s ARG 165 CO -0.20 0.18 0.00 -0.40 -1.08 0.00 0.00 175.30 173.80 1ddm n ASP 166 N 3.24 -0.78 0.00 -2.89 5.68 -0.12 -4.82 116.55 116.85 1ddm n ASP 166 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1ddm n ASP 166 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1ddm n ASP 166 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ddm n GLY 167 N 0.00 2.44 0.00 6.12 0.00 -1.26 -4.06 105.19 108.43 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 0.20 2.61 5.66 -1.26 -4.94 114.28 114.55 1ddm n THR 168 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 1ddm n THR 168 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 1ddm n THR 168 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ddm n THR 169 N 0.00 0.00 -2.11 1.09 -1.04 -1.26 -4.99 114.28 105.97 1ddm n THR 169 Ca 0.00 -0.25 -0.20 0.00 -2.04 0.00 0.00 64.05 61.56 1ddm n THR 169 Cb 0.00 0.61 -0.04 0.00 -1.82 0.00 0.00 70.33 69.08 1ddm n THR 169 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ddm n ARG 170 N -1.56 -1.64 -3.93 -2.82 5.12 -1.26 -4.86 116.66 105.71 1ddm n ARG 170 Ca -0.00 1.04 0.03 0.00 -1.93 0.00 0.00 57.85 56.99 1ddm n ARG 170 Cb 0.21 -5.60 0.01 0.00 -1.16 0.00 0.00 32.46 25.92 1ddm n ARG 170 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1ddm s ARG 171 N -4.57 0.23 0.15 5.56 1.04 -1.26 -4.83 118.95 115.27 1ddm s ARG 171 Ca 0.00 -0.15 -0.30 0.00 -1.04 0.00 0.00 55.73 54.24 1ddm s ARG 171 Cb 0.00 0.07 -0.08 0.00 -2.04 0.00 0.00 34.95 32.90 1ddm s ARG 171 CO 0.00 -0.11 1.27 -1.58 -0.04 0.00 0.00 175.30 174.84 1ddm s TRP 172 N -2.05 3.34 -0.28 5.89 0.51 -1.26 -0.94 118.94 124.15 1ddm s TRP 172 Ca 0.28 1.24 -0.18 0.00 -2.12 0.00 0.00 56.10 55.31 1ddm s TRP 172 Cb 0.01 -3.53 0.08 0.00 -0.81 0.00 0.00 33.47 29.22 1ddm s TRP 172 CO -0.02 -1.66 0.73 -1.64 -0.51 0.00 0.00 176.95 173.85 1ddm s MET 173 N 0.38 0.70 0.27 4.98 -1.94 -1.25 -3.78 119.30 118.67 1ddm s MET 173 Ca 0.58 1.10 0.11 0.00 -1.71 0.00 0.00 55.69 55.77 1ddm s MET 173 Cb -0.34 0.20 -0.05 0.00 2.01 0.00 0.00 34.83 36.66 1ddm s MET 173 CO 0.34 -0.13 -0.09 0.00 -0.01 0.00 0.00 175.02 175.13 1ddm s HIS 175 N -2.41 1.79 0.08 0.00 3.76 -0.44 -1.82 115.29 116.25 1ddm s HIS 175 Ca 0.31 -0.41 0.08 0.00 -0.15 0.00 0.00 55.06 54.89 1ddm s HIS 175 Cb -0.06 -1.17 -0.03 0.00 1.11 0.00 0.00 32.58 32.43 1ddm s HIS 175 CO 0.18 -0.09 -0.23 0.20 -0.85 0.00 0.00 174.74 173.96 1ddm s GLY 176 N -0.28 1.27 -0.21 -2.22 0.00 -1.21 -2.08 107.32 102.59 1ddm s GLY 176 Ca 0.03 -1.21 -0.27 0.00 0.00 0.00 0.00 44.72 43.27 1ddm s GLY 176 CO 0.00 -1.17 0.81 -0.11 0.00 0.00 0.00 173.10 172.64 1ddm s PHE 177 N -0.96 -0.64 0.18 1.90 -0.71 -0.81 -2.01 117.98 114.93 1ddm s PHE 177 Ca 0.09 1.44 0.08 0.00 -1.04 0.00 0.00 56.93 57.50 1ddm s PHE 177 Cb -0.10 0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 1ddm s PHE 177 CO 0.03 -0.39 -0.02 -0.51 -1.34 0.00 0.00 175.22 172.99 1ddm s LEU 178 N -0.15 3.23 -0.05 -1.99 1.43 -1.20 -1.15 118.68 118.80 1ddm s LEU 178 Ca -0.02 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.37 1ddm s LEU 178 Cb -0.03 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1ddm s LEU 178 CO 0.01 0.09 0.83 0.00 0.23 0.00 0.00 176.35 177.51 1ddm s ALA 179 N -1.76 3.28 -2.00 4.21 0.00 -1.08 -0.46 121.76 123.95 1ddm s ALA 179 Ca 0.27 0.29 0.11 0.00 0.00 0.00 0.00 51.96 52.63 1ddm s ALA 179 Cb -0.09 -3.13 0.65 0.00 0.00 0.00 0.00 23.12 20.54 1ddm s ALA 179 CO 0.18 -0.20 1.34 0.00 0.00 0.00 0.00 175.76 177.08 1ddm n LYS 181 N -0.69 1.02 -2.95 0.00 4.76 -1.26 -4.97 118.16 114.07 1ddm n LYS 181 Ca 0.08 -0.06 -0.11 0.00 -2.87 0.00 0.00 58.31 55.35 1ddm n LYS 181 Cb 0.04 -1.43 0.01 0.00 -1.84 0.00 0.00 35.03 31.81 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 -2.45 -7.49 0.00 4.39 9.92 -1.14 -4.93 116.55 114.85 1ddm n ASP 182 Ca -0.19 0.63 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 1ddm n ASP 182 Cb 0.84 -4.52 0.00 0.00 -0.64 0.00 0.00 41.12 36.81 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 0.07 0.00 -1.46 -2.24 2.88 -1.26 -5.02 113.62 106.59 1ddm n SER 183 Ca 0.05 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.46 1ddm n SER 183 Cb 0.39 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.84 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 -0.80 0.05 0.00 0.46 0.00 -1.26 -4.85 105.19 98.79 1ddm n GLY 184 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.34 2.97 0.00 1.61 2.13 -1.26 -4.06 120.64 119.69 1ddm n GLU 185 Ca -0.16 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.73 1ddm n GLU 185 Cb 0.59 -0.65 -0.08 0.00 0.27 0.00 0.00 31.44 31.57 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 -0.87 2.05 0.00 5.31 5.12 -1.26 -4.40 116.66 122.62 1ddm n ARG 186 Ca 0.00 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 1ddm n ARG 186 Cb 0.00 -1.21 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 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 -1.30 0.80 0.39 0.55 4.32 -1.26 -4.00 117.00 116.50 1ddm n LEU 187 Ca 0.03 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.87 1ddm n LEU 187 Cb 0.24 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.96 1ddm n LEU 187 CO 0.30 0.05 0.47 -1.28 -1.22 0.00 0.00 177.39 175.71 1ddm h SER 188 N 0.00 -0.84 0.32 -1.43 0.87 -1.84 -0.71 113.55 109.91 1ddm h SER 188 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1ddm h SER 188 Cb 0.72 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1ddm h SER 188 CO 0.00 -0.56 0.00 1.41 -0.53 0.00 0.00 176.83 177.15 1ddm n HIS 189 N -4.93 0.00 0.03 2.24 8.25 -1.26 -2.05 115.22 117.49 1ddm n HIS 189 Ca -0.12 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.12 1ddm n HIS 189 Cb 0.39 -0.41 -0.14 0.00 1.12 0.00 0.00 29.99 30.95 1ddm n HIS 189 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ddm h ALA 190 N 2.45 0.24 0.00 -1.41 0.00 -1.73 -3.35 119.26 115.47 1ddm h ALA 190 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 54.91 53.55 1ddm h ALA 190 Cb 0.16 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1ddm h ALA 190 CO 0.00 1.02 -0.80 -0.24 0.00 0.00 0.00 179.25 179.23 1ddm h VAL 191 N -0.09 1.50 0.00 0.00 3.04 -0.82 -3.07 116.25 116.81 1ddm h VAL 191 Ca -0.35 -2.82 0.00 0.00 -1.01 0.00 0.00 66.70 62.52 1ddm h VAL 191 Cb 1.93 2.55 0.00 0.00 -2.01 0.00 0.00 31.29 33.77 1ddm h VAL 191 CO 0.10 0.79 0.00 0.61 -1.01 0.00 0.00 177.57 178.05 1ddm n GLY 192 N 0.97 -0.73 0.24 3.17 0.00 -0.87 -1.78 105.19 106.19 1ddm n GLY 192 Ca -0.00 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 1.10 -0.00 0.00 0.00 0.00 -1.37 -3.26 119.26 115.74 1ddm h ALA 194 Ca 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1ddm h ALA 194 Cb 0.29 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ddm h ALA 194 CO 0.00 0.37 -0.13 0.27 0.00 0.00 0.00 179.25 179.76 1ddm h PHE 195 N -0.21 0.00 0.00 0.00 -0.00 -1.82 -2.06 116.94 112.85 1ddm h PHE 195 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.86 1ddm h PHE 195 Cb 1.47 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.42 1ddm h PHE 195 CO 0.17 0.13 0.00 0.00 -0.00 0.00 0.00 178.31 178.61 1ddm h ALA 196 N 1.87 1.00 0.00 12.09 0.00 -1.82 -0.67 119.26 131.72 1ddm h ALA 196 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1ddm h ALA 196 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1ddm h ALA 196 CO 0.02 0.00 -1.35 0.28 0.00 0.00 0.00 179.25 178.20 1ddm h VAL 197 N 0.00 0.75 -0.01 0.00 2.07 -1.52 -2.95 116.25 114.59 1ddm h VAL 197 Ca 0.00 -2.35 -0.16 0.00 0.82 0.00 0.00 66.70 65.00 1ddm h VAL 197 Cb 0.05 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1ddm h VAL 197 CO 0.00 0.43 -0.75 0.00 0.02 0.00 0.00 177.57 177.27 1ddm n LEU 199 N -3.68 5.12 0.04 0.00 -0.00 -0.98 -4.80 117.00 112.69 1ddm n LEU 199 Ca -0.02 -4.67 -0.12 0.00 -0.00 0.00 0.00 56.01 51.20 1ddm n LEU 199 Cb 0.73 -0.41 -0.07 0.00 -0.00 0.00 0.00 43.42 43.66 1ddm n LEU 199 CO 0.45 2.02 0.84 -0.08 -0.00 0.00 0.00 177.39 180.61 1ddm h GLU 200 N 2.11 -0.01 -0.00 1.47 4.81 -1.56 -3.48 114.58 117.92 1ddm h GLU 200 Ca 0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1ddm h GLU 200 Cb 1.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.84 1ddm h GLU 200 CO 0.81 0.05 0.00 0.54 -0.73 0.00 0.00 179.01 179.68