#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 0.16 0.26 1.57 7.27 -1.26 -4.63 117.38 120.75 1ddm n GLN 68 Ca 0.00 0.04 0.11 0.00 0.07 0.00 0.00 57.00 57.22 1ddm n GLN 68 Cb 0.00 -1.05 0.72 0.00 2.41 0.00 0.00 30.24 32.31 1ddm n GLN 68 CO 0.00 0.00 0.00 2.35 0.07 0.00 0.00 177.06 179.48 1ddm h TRP 69 N -0.05 0.00 0.00 3.69 7.01 -2.01 -0.12 115.95 124.46 1ddm h TRP 69 Ca -0.15 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.83 1ddm h TRP 69 Cb 1.21 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.26 1ddm h TRP 69 CO 0.00 0.06 -0.11 1.96 -2.79 0.00 0.00 178.44 177.56 1ddm h GLN 70 N 0.00 0.00 0.00 2.65 1.08 -2.01 -0.61 115.11 116.22 1ddm h GLN 70 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ddm h GLN 70 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1ddm h GLN 70 CO 0.01 0.11 -1.69 0.00 -0.95 0.00 0.00 178.83 176.31 1ddm n ALA 71 N -2.17 3.08 0.02 3.87 0.00 -0.35 -4.21 120.51 120.74 1ddm n ALA 71 Ca 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 53.44 52.90 1ddm n ALA 71 Cb 0.35 -0.67 -0.12 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.29 0.00 5.19 -0.84 -2.93 116.42 117.56 1ddm h ASP 72 Ca 0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1ddm h ASP 72 Cb 0.80 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 1ddm h ASP 72 CO 0.00 0.93 -0.34 -0.08 -3.12 0.00 0.00 179.24 176.63 1ddm h GLU 73 N 0.00 0.82 0.00 3.56 4.81 -1.31 -2.75 114.58 119.70 1ddm h GLU 73 Ca -0.17 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1ddm h GLU 73 Cb 1.86 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.24 1ddm h GLU 73 CO 0.09 1.03 -0.26 -1.91 -0.73 0.00 0.00 179.01 177.23 1ddm n GLU 74 N -4.06 0.04 0.28 1.92 2.13 -1.25 -4.04 120.64 115.65 1ddm n GLU 74 Ca -0.01 0.02 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1ddm n GLU 74 Cb 0.51 -1.53 -0.08 0.00 0.27 0.00 0.00 31.44 30.60 1ddm n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ddm h ALA 75 N 2.94 -0.67 -0.98 4.31 0.00 -1.28 -1.11 119.26 122.47 1ddm h ALA 75 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ddm h ALA 75 Cb 0.53 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1ddm h ALA 75 CO 0.00 -0.88 0.64 0.28 0.00 0.00 0.00 179.25 179.29 1ddm h VAL 76 N -0.67 1.14 -0.86 0.00 2.07 -1.70 -0.98 116.25 115.24 1ddm h VAL 76 Ca -0.07 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.08 1ddm h VAL 76 Cb 0.52 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 1ddm h VAL 76 CO 0.11 0.22 0.57 0.03 0.02 0.00 0.00 177.57 178.51 1ddm h ARG 77 N 1.21 1.02 0.00 1.57 3.08 -1.65 -1.75 114.38 117.86 1ddm h ARG 77 Ca 0.40 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1ddm h ARG 77 Cb 0.06 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1ddm h ARG 77 CO -0.14 0.68 0.00 0.43 -1.07 0.00 0.00 179.97 179.86 1ddm n SER 78 N -4.45 0.00 0.00 7.04 7.64 -0.44 -4.85 113.62 118.55 1ddm n SER 78 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1ddm n SER 78 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -3.14 -0.43 0.00 -0.77 -4.71 120.51 108.46 1ddm n ALA 79 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ddm n ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ddm n ALA 79 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ddm s THR 80 N 0.00 -0.34 0.00 0.00 -1.32 -1.06 -4.56 115.64 108.36 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 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.66 1ddm s THR 80 CO 0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 1ddm n SER 82 N 0.00 -1.62 -0.70 0.00 7.64 -1.26 -2.76 113.62 114.92 1ddm n SER 82 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ddm n SER 82 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ddm n SER 82 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ddm n PHE 83 N 0.00 -0.67 -1.27 1.43 3.72 -1.01 -4.88 117.46 114.78 1ddm n PHE 83 Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 1ddm n PHE 83 Cb 0.00 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.61 1ddm n PHE 83 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ddm n SER 84 N -0.77 -1.05 -1.77 4.37 7.64 -1.26 -1.60 113.62 119.18 1ddm n SER 84 Ca 0.00 0.60 -0.06 0.00 1.01 0.00 0.00 58.87 60.42 1ddm n SER 84 Cb 0.00 -1.23 -0.02 0.00 -1.01 0.00 0.00 64.21 61.95 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 -2.39 0.00 -3.14 0.44 0.24 -0.21 -2.83 118.33 110.44 1ddm n VAL 85 Ca 0.10 -0.77 -0.19 0.00 -2.04 0.00 0.00 64.34 61.44 1ddm n VAL 85 Cb 0.50 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.26 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 -0.22 0.87 -1.55 7.34 4.76 0.42 -3.70 118.16 126.08 1ddm n LYS 86 Ca 0.02 -3.15 -0.39 0.00 -2.87 0.00 0.00 58.31 51.92 1ddm n LYS 86 Cb 0.22 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 1ddm n LYS 86 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ddm n TYR 87 N 0.74 1.50 0.05 2.13 4.02 -1.25 -3.44 117.16 120.92 1ddm n TYR 87 Ca 0.22 0.09 -0.02 0.00 -0.01 0.00 0.00 57.90 58.17 1ddm n TYR 87 Cb 0.62 -2.63 0.22 0.00 -0.02 0.00 0.00 39.34 37.53 1ddm n TYR 87 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1ddm h LEU 88 N 17.50 0.38 0.00 7.72 3.38 -1.70 -1.27 115.31 141.31 1ddm h LEU 88 Ca -0.27 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1ddm h LEU 88 Cb 1.27 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ddm h LEU 88 CO 1.12 0.67 0.00 0.61 0.09 0.00 0.00 178.44 180.93 1ddm n GLY 89 N -0.34 0.16 3.33 0.83 0.00 -1.25 -3.44 105.19 104.48 1ddm n GLY 89 Ca -0.01 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 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 0.51 2.18 0.31 0.00 -7.23 -0.96 -4.98 120.40 110.23 1ddm s VAL 91 Ca -0.09 -1.37 -0.28 0.00 -1.81 0.00 0.00 61.98 58.42 1ddm s VAL 91 Cb -0.16 -1.85 -0.09 0.00 0.56 0.00 0.00 36.38 34.84 1ddm s VAL 91 CO 0.04 0.37 1.06 -1.83 -0.31 0.00 0.00 175.10 174.43 1ddm s GLU 92 N -1.24 4.52 0.04 4.82 1.03 -1.26 -1.03 118.70 125.58 1ddm s GLU 92 Ca 0.12 1.66 0.00 0.00 0.03 0.00 0.00 54.97 56.78 1ddm s GLU 92 Cb -0.10 -2.99 -0.03 0.00 -0.80 0.00 0.00 34.13 30.21 1ddm s GLU 92 CO 0.02 0.15 -0.04 0.14 -1.33 0.00 0.00 175.26 174.20 1ddm s VAL 93 N -1.33 0.28 -0.58 1.83 -7.23 -1.21 -4.86 120.40 107.30 1ddm s VAL 93 Ca 0.48 -1.40 0.05 0.00 -1.81 0.00 0.00 61.98 59.31 1ddm s VAL 93 Cb -0.28 -0.96 0.33 0.00 0.56 0.00 0.00 36.38 36.04 1ddm s VAL 93 CO 0.35 -0.72 0.91 0.49 -0.31 0.00 0.00 175.10 175.83 1ddm n PHE 94 N 0.82 3.83 0.00 2.82 3.72 -1.26 -4.52 117.46 122.87 1ddm n PHE 94 Ca -0.19 -4.01 0.00 0.00 -0.05 0.00 0.00 57.45 53.20 1ddm n PHE 94 Cb 0.58 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1ddm n PHE 94 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1ddm n GLU 95 N -0.08 0.00 -2.33 -1.08 1.02 -1.26 -5.03 120.64 111.88 1ddm n GLU 95 Ca 0.31 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.26 1ddm n GLU 95 Cb 0.40 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.81 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 -1.49 -5.30 -3.34 1.62 7.64 -1.26 -4.97 113.62 106.52 1ddm n SER 96 Ca 0.00 -0.01 -0.09 0.00 1.01 0.00 0.00 58.87 59.78 1ddm n SER 96 Cb 0.00 -4.36 -0.07 0.00 -1.01 0.00 0.00 64.21 58.76 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 -4.88 0.36 0.00 1.43 1.70 -1.26 -4.96 118.95 111.34 1ddm s ARG 97 Ca 0.00 0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.68 1ddm s ARG 97 Cb 0.00 -0.44 0.00 0.00 -0.57 0.00 0.00 34.95 33.94 1ddm s ARG 97 CO 0.00 -0.75 0.00 0.41 -1.08 0.00 0.00 175.30 173.88 1ddm n GLY 98 N 5.36 3.48 0.18 3.88 0.00 -1.26 -4.79 105.19 112.04 1ddm n GLY 98 Ca -0.03 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.91 -3.12 114.93 111.51 1ddm h MET 99 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 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 0.31 -0.04 1.96 -0.00 0.00 0.00 176.91 179.14 1ddm h GLN 100 N 0.00 0.00 -0.94 -0.10 4.20 -1.94 -3.01 115.11 113.33 1ddm h GLN 100 Ca -0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1ddm h GLN 100 Cb 1.14 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.87 1ddm h GLN 100 CO 0.04 0.04 0.62 0.28 -0.67 0.00 0.00 178.83 179.14 1ddm h VAL 101 N 0.00 1.22 -0.22 -0.54 2.07 -1.85 -2.22 116.25 114.71 1ddm h VAL 101 Ca -0.00 -0.43 -0.16 0.00 0.82 0.00 0.00 66.70 66.93 1ddm h VAL 101 Cb 0.55 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1ddm h VAL 101 CO 0.00 0.23 -0.51 0.00 0.02 0.00 0.00 177.57 177.32 1ddm n GLU 103 N -3.99 0.02 -0.11 0.00 2.13 -0.85 -1.75 120.64 116.09 1ddm n GLU 103 Ca -0.03 0.35 -0.18 0.00 0.66 0.00 0.00 57.16 57.96 1ddm n GLU 103 Cb 0.59 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.73 1ddm n GLU 103 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ddm n GLU 104 N -1.46 0.56 0.05 5.31 1.02 -1.02 -4.32 120.64 120.77 1ddm n GLU 104 Ca 0.02 0.23 0.12 0.00 -0.02 0.00 0.00 57.16 57.51 1ddm n GLU 104 Cb 0.08 -1.46 0.57 0.00 -0.02 0.00 0.00 31.44 30.61 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 -1.00 2.08 -0.37 0.62 0.00 -1.40 -1.83 119.26 117.36 1ddm h ALA 105 Ca -0.32 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1ddm h ALA 105 Cb 1.27 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1ddm h ALA 105 CO -0.19 -0.16 0.22 1.25 0.00 0.00 0.00 179.25 180.37 1ddm h LEU 106 N 0.22 0.36 -1.13 0.00 5.85 -1.57 -2.02 115.31 117.01 1ddm h LEU 106 Ca 0.17 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1ddm h LEU 106 Cb 0.41 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1ddm h LEU 106 CO -0.03 0.26 -0.29 0.50 -0.34 0.00 0.00 178.44 178.54 1ddm h LYS 107 N 0.45 0.24 -0.09 1.25 3.64 -1.54 -2.92 116.57 117.61 1ddm h LYS 107 Ca 0.15 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1ddm h LYS 107 Cb -0.00 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1ddm h LYS 107 CO -0.06 0.51 -0.02 0.28 -2.27 0.00 0.00 179.45 177.89 1ddm h VAL 108 N 0.21 0.92 0.00 2.00 2.07 -0.95 0.11 116.25 120.61 1ddm h VAL 108 Ca 0.03 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1ddm h VAL 108 Cb 0.63 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1ddm h VAL 108 CO 0.05 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 177.51 1ddm h LEU 109 N 0.01 0.00 0.00 2.57 3.38 -1.34 0.13 115.31 120.06 1ddm h LEU 109 Ca 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 1ddm h LEU 109 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1ddm h LEU 109 CO -0.08 0.05 -1.00 -0.09 0.09 0.00 0.00 178.44 177.41 1ddm h ARG 110 N 0.00 0.00 -0.02 1.13 9.65 -1.03 -3.26 114.38 120.85 1ddm h ARG 110 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1ddm h ARG 110 Cb 0.28 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1ddm h ARG 110 CO 0.01 0.71 -0.19 1.04 2.80 0.00 0.00 179.97 184.34 1ddm n GLN 111 N -3.22 1.70 -3.12 0.20 1.13 0.26 -4.95 117.38 109.37 1ddm n GLN 111 Ca -0.03 -1.33 -0.19 0.00 -1.94 0.00 0.00 57.00 53.51 1ddm n GLN 111 Cb 0.89 -1.47 0.02 0.00 0.11 0.00 0.00 30.24 29.78 1ddm n GLN 111 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ddm n SER 112 N 0.51 2.19 -0.86 1.08 7.64 0.36 -5.01 113.62 119.53 1ddm n SER 112 Ca 0.13 -2.42 0.03 0.00 1.01 0.00 0.00 58.87 57.63 1ddm n SER 112 Cb 0.50 -0.12 0.15 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.65 2.22 -1.92 1.43 3.00 -1.26 -4.85 116.66 113.62 1ddm n ARG 113 Ca 0.02 -1.17 -0.38 0.00 -0.01 0.00 0.00 57.85 56.32 1ddm n ARG 113 Cb 0.49 -1.59 -0.03 0.00 0.00 0.00 0.00 32.46 31.33 1ddm n ARG 113 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1ddm s ARG 114 N -1.66 2.49 0.19 5.56 1.81 -1.26 -4.95 118.95 121.13 1ddm s ARG 114 Ca 0.21 0.78 -0.30 0.00 -1.72 0.00 0.00 55.73 54.70 1ddm s ARG 114 Cb 0.14 -4.45 -0.08 0.00 -0.45 0.00 0.00 34.95 30.11 1ddm s ARG 114 CO 0.09 -2.89 1.17 1.03 -0.68 0.00 0.00 175.30 174.02 1ddm s ARG 115 N 7.35 4.53 0.70 3.54 0.52 -1.22 -4.75 118.95 129.61 1ddm s ARG 115 Ca 0.75 1.84 -0.11 0.00 -0.52 0.00 0.00 55.73 57.68 1ddm s ARG 115 Cb -0.14 -3.24 0.01 0.00 0.52 0.00 0.00 34.95 32.10 1ddm s ARG 115 CO 0.21 -0.03 1.07 -1.25 0.02 0.00 0.00 175.30 175.33 1ddm s PRO 116 N -0.39 2.92 -0.25 3.54 0.04 -1.26 -4.45 135.00 135.14 1ddm s PRO 116 Ca 0.51 0.75 0.01 0.00 0.04 0.00 0.00 61.00 62.32 1ddm s PRO 116 Cb -0.32 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.28 1ddm s PRO 116 CO 0.37 -1.06 -0.05 0.08 0.04 0.00 0.00 177.00 176.38 1ddm s VAL 117 N -3.16 1.70 -0.63 -0.36 1.01 -0.48 -4.91 120.40 113.57 1ddm s VAL 117 Ca 0.58 -1.41 -0.26 0.00 0.00 0.00 0.00 61.98 60.89 1ddm s VAL 117 Cb -0.13 -1.97 -0.07 0.00 0.00 0.00 0.00 36.38 34.21 1ddm s VAL 117 CO 0.54 -0.15 2.24 -0.60 0.00 0.00 0.00 175.10 177.13 1ddm s ARG 118 N 1.30 2.14 0.09 2.72 3.52 -1.26 -3.78 118.95 123.67 1ddm s ARG 118 Ca -0.04 0.83 -0.00 0.00 -0.13 0.00 0.00 55.73 56.38 1ddm s ARG 118 Cb -0.19 -4.64 -0.04 0.00 -1.56 0.00 0.00 34.95 28.51 1ddm s ARG 118 CO -0.07 -3.46 -0.01 0.20 -0.81 0.00 0.00 175.30 171.16 1ddm s GLY 119 N 10.56 0.72 -0.09 8.12 0.00 -1.24 -1.68 107.32 123.71 1ddm s GLY 119 Ca 0.87 -1.34 -0.21 0.00 0.00 0.00 0.00 44.72 44.04 1ddm s GLY 119 CO 0.18 -1.37 0.59 -2.27 0.00 0.00 0.00 173.10 170.22 1ddm s LEU 120 N -2.99 4.29 -0.25 0.66 1.98 0.03 -1.05 118.68 121.35 1ddm s LEU 120 Ca 0.14 0.99 -0.10 0.00 -2.89 0.00 0.00 54.13 52.28 1ddm s LEU 120 Cb 0.07 -2.88 -0.05 0.00 0.66 0.00 0.00 46.19 43.99 1ddm s LEU 120 CO -0.05 -0.06 0.14 -0.22 -1.89 0.00 0.00 176.35 174.27 1ddm s LEU 121 N 0.73 3.94 -0.65 -0.68 2.96 -0.62 -1.35 118.68 123.01 1ddm s LEU 121 Ca 0.32 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 54.22 1ddm s LEU 121 Cb -0.16 -2.06 0.17 0.00 0.50 0.00 0.00 46.19 44.63 1ddm s LEU 121 CO 0.14 0.03 0.46 -1.00 -1.32 0.00 0.00 176.35 174.66 1ddm s HIS 122 N 1.26 3.42 -0.91 5.38 3.76 -0.47 -2.40 115.29 125.34 1ddm s HIS 122 Ca 0.07 -2.78 -0.25 0.00 -0.15 0.00 0.00 55.06 51.95 1ddm s HIS 122 Cb -0.14 -3.17 -0.06 0.00 1.11 0.00 0.00 32.58 30.31 1ddm s HIS 122 CO 0.06 -0.82 1.99 0.08 -0.85 0.00 0.00 174.74 175.20 1ddm s VAL 123 N -0.23 3.41 0.36 -0.90 1.01 -1.11 -2.99 120.40 119.96 1ddm s VAL 123 Ca 0.18 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 1ddm s VAL 123 Cb -0.19 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 1ddm s VAL 123 CO -0.04 -0.86 0.80 -0.94 0.00 0.00 0.00 175.10 174.06 1ddm s SER 124 N 8.19 6.77 -0.04 3.32 1.04 -1.26 -2.90 113.70 128.83 1ddm s SER 124 Ca 0.72 1.36 0.00 0.00 0.48 0.00 0.00 55.95 58.52 1ddm s SER 124 Cb -0.07 -2.41 0.04 0.00 0.10 0.00 0.00 66.02 63.68 1ddm s SER 124 CO 0.01 -0.28 1.47 0.61 0.98 0.00 0.00 173.24 176.04 1ddm n GLY 125 N -0.59 2.41 0.39 7.32 0.00 -0.66 -3.01 105.19 111.05 1ddm n GLY 125 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.81 0.00 0.00 1.61 -0.08 -1.26 -4.55 116.55 113.08 1ddm n ASP 126 Ca 0.04 -0.80 0.00 0.00 -1.51 0.00 0.00 54.79 52.52 1ddm n ASP 126 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 1ddm n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ddm n GLY 127 N 0.00 3.18 3.74 0.27 0.00 -1.16 -4.80 105.19 106.42 1ddm n GLY 127 Ca 0.00 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 1ddm n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ddm s LEU 128 N 0.00 3.38 -0.18 0.99 1.43 -1.04 -4.13 118.68 119.12 1ddm s LEU 128 Ca 0.00 2.23 -0.08 0.00 -1.03 0.00 0.00 54.13 55.25 1ddm s LEU 128 Cb 0.00 -4.58 0.07 0.00 0.03 0.00 0.00 46.19 41.72 1ddm s LEU 128 CO 0.00 -1.97 0.40 -0.60 0.23 0.00 0.00 176.35 174.42 1ddm s ARG 129 N -3.92 0.34 -0.28 1.70 3.52 -1.16 -3.55 118.95 115.61 1ddm s ARG 129 Ca 0.72 0.90 -0.04 0.00 -0.13 0.00 0.00 55.73 57.18 1ddm s ARG 129 Cb -0.26 0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.30 1ddm s ARG 129 CO 0.42 -0.21 0.01 0.08 -0.81 0.00 0.00 175.30 174.79 1ddm s VAL 130 N 2.02 3.32 -0.27 7.11 1.01 -0.96 -1.36 120.40 131.26 1ddm s VAL 130 Ca -0.05 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 1ddm s VAL 130 Cb -0.10 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1ddm s VAL 130 CO -0.12 0.08 0.07 -0.69 0.00 0.00 0.00 175.10 174.43 1ddm s VAL 131 N 1.37 4.08 0.89 2.92 1.01 -0.46 -2.30 120.40 127.92 1ddm s VAL 131 Ca -0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 1ddm s VAL 131 Cb -0.18 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1ddm s VAL 131 CO -0.01 0.21 0.42 -0.67 0.00 0.00 0.00 175.10 175.05 1ddm n ASP 132 N 4.89 -1.90 -0.56 3.32 2.03 -1.26 -0.79 116.55 122.28 1ddm n ASP 132 Ca -0.15 0.40 0.07 0.00 0.52 0.00 0.00 54.79 55.62 1ddm n ASP 132 Cb 0.50 -1.20 0.07 0.00 -0.72 0.00 0.00 41.12 39.76 1ddm n ASP 132 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ddm n ASP 133 N -0.98 2.21 -0.00 1.67 2.03 -0.68 -2.33 116.55 118.46 1ddm n ASP 133 Ca 0.07 -1.60 0.01 0.00 0.52 0.00 0.00 54.79 53.80 1ddm n ASP 133 Cb 0.53 -0.03 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.75 0.24 0.00 -0.67 0.28 -1.26 -4.74 120.64 115.24 1ddm n GLU 134 Ca 0.08 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1ddm n GLU 134 Cb 0.35 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 32.16 1ddm n GLU 134 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1ddm n THR 135 N -1.61 0.00 -2.17 3.84 -1.04 -1.26 -5.01 114.28 107.03 1ddm n THR 135 Ca -0.01 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1ddm n THR 135 Cb 0.09 -0.19 -0.02 0.00 -1.82 0.00 0.00 70.33 68.39 1ddm n THR 135 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1ddm n LYS 136 N -1.49 -1.84 0.00 -2.82 4.01 -0.99 -4.92 118.16 110.11 1ddm n LYS 136 Ca 0.00 0.80 0.00 0.00 -0.51 0.00 0.00 58.31 58.60 1ddm n LYS 136 Cb 0.20 -5.33 0.00 0.00 -0.51 0.00 0.00 35.03 29.39 1ddm n LYS 136 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ddm n GLY 137 N -0.73 1.11 3.64 0.72 0.00 -1.26 -4.75 105.19 103.93 1ddm n GLY 137 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 1ddm n GLY 137 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ddm s LEU 138 N 0.00 -0.93 -0.09 0.99 2.96 -1.26 -4.53 118.68 115.82 1ddm s LEU 138 Ca 0.00 1.51 -0.04 0.00 -0.22 0.00 0.00 54.13 55.38 1ddm s LEU 138 Cb 0.00 2.40 -0.04 0.00 0.50 0.00 0.00 46.19 49.05 1ddm s LEU 138 CO 0.00 -0.24 -0.11 -0.38 -1.32 0.00 0.00 176.35 174.30 1ddm n ILE 139 N 4.12 0.50 -3.70 6.68 5.41 -0.97 -4.96 119.36 126.44 1ddm n ILE 139 Ca -0.19 -0.13 -0.25 0.00 1.00 0.00 0.00 62.75 63.17 1ddm n ILE 139 Cb 0.59 -1.54 -0.17 0.00 -0.71 0.00 0.00 39.64 37.81 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 -2.17 0.25 -0.65 1.39 1.01 -1.25 -5.03 120.40 113.94 1ddm s VAL 140 Ca -0.13 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1ddm s VAL 140 Cb 0.05 -0.71 0.29 0.00 0.00 0.00 0.00 36.38 36.01 1ddm s VAL 140 CO 0.16 -0.10 0.91 -0.67 0.00 0.00 0.00 175.10 175.40 1ddm n ASP 141 N 5.16 4.35 -2.52 3.32 2.03 -1.26 -2.27 116.55 125.36 1ddm n ASP 141 Ca -0.07 -3.55 -0.05 0.00 0.52 0.00 0.00 54.79 51.63 1ddm n ASP 141 Cb 0.49 -0.68 -0.00 0.00 -0.72 0.00 0.00 41.12 40.20 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 0.39 1.46 -4.36 -0.67 1.13 -1.23 -5.05 117.38 109.05 1ddm n GLN 142 Ca 0.31 -0.65 -0.20 0.00 -1.94 0.00 0.00 57.00 54.51 1ddm n GLN 142 Cb 0.39 0.10 -0.10 0.00 0.11 0.00 0.00 30.24 30.74 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 -0.73 1.87 0.05 5.09 2.01 -1.26 -2.51 115.64 120.16 1ddm s THR 143 Ca 0.04 -2.16 -0.22 0.00 0.31 0.00 0.00 61.69 59.66 1ddm s THR 143 Cb -0.00 -2.03 -0.14 0.00 0.01 0.00 0.00 72.50 70.34 1ddm s THR 143 CO 0.03 -0.49 1.47 0.40 -0.69 0.00 0.00 174.62 175.34 1ddm h ILE 144 N 2.70 1.26 0.00 1.82 2.04 -1.90 -2.75 117.51 120.68 1ddm h ILE 144 Ca -0.39 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 1ddm h ILE 144 Cb 1.22 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1ddm h ILE 144 CO 0.59 0.24 -0.15 1.05 0.00 0.00 0.00 178.15 179.88 1ddm h GLU 145 N -0.07 0.00 0.20 2.37 4.11 -1.96 -3.24 114.58 115.99 1ddm h GLU 145 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 1ddm h GLU 145 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ddm h GLU 145 CO 0.01 0.15 -0.10 -0.22 0.07 0.00 0.00 179.01 178.92 1ddm h LYS 146 N 0.00 -0.26 -6.94 1.06 3.64 -1.93 -3.43 116.57 108.71 1ddm h LYS 146 Ca -0.00 0.02 -0.52 0.00 -1.27 0.00 0.00 60.65 58.88 1ddm h LYS 146 Cb 0.87 0.06 0.07 0.00 -0.41 0.00 0.00 32.23 32.81 1ddm h LYS 146 CO 0.02 -0.06 0.56 0.14 -2.27 0.00 0.00 179.45 177.85 1ddm s VAL 147 N -5.52 2.86 0.03 2.00 -7.23 -1.05 -4.76 120.40 106.73 1ddm s VAL 147 Ca -0.15 0.76 -0.07 0.00 -1.81 0.00 0.00 61.98 60.71 1ddm s VAL 147 Cb 0.04 -3.44 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 1ddm s VAL 147 CO 0.63 0.10 1.12 -1.28 -0.31 0.00 0.00 175.10 175.36 1ddm h SER 148 N 2.71 -0.42 -2.11 4.85 0.87 -1.77 -3.44 113.55 114.24 1ddm h SER 148 Ca -0.49 0.06 0.10 0.00 -1.23 0.00 0.00 61.79 60.23 1ddm h SER 148 Cb 1.24 0.17 -0.23 0.00 -0.44 0.00 0.00 62.40 63.14 1ddm h SER 148 CO 0.63 -0.08 0.13 0.72 -0.53 0.00 0.00 176.83 177.70 1ddm s PHE 149 N -3.57 -0.90 0.85 2.24 -0.12 -1.26 -5.05 117.98 110.16 1ddm s PHE 149 Ca -0.03 1.67 -0.11 0.00 -0.05 0.00 0.00 56.93 58.41 1ddm s PHE 149 Cb 0.02 0.54 0.10 0.00 -0.63 0.00 0.00 43.02 43.06 1ddm s PHE 149 CO 0.13 -0.45 1.13 0.00 -0.05 0.00 0.00 175.22 175.99 1ddm s ALA 151 N -2.67 -1.57 0.21 0.00 0.00 -1.08 -4.90 121.76 111.76 1ddm s ALA 151 Ca 0.66 1.90 0.00 0.00 0.00 0.00 0.00 51.96 54.52 1ddm s ALA 151 Cb -0.21 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.79 1ddm s ALA 151 CO 0.56 -0.31 0.00 -0.35 0.00 0.00 0.00 175.76 175.66 1ddm n PRO 152 N 3.36 3.78 0.00 0.00 -0.04 -1.26 -2.39 135.00 138.44 1ddm n PRO 152 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1ddm n PRO 152 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.40 0.04 3.54 5.68 -1.13 -4.32 116.55 120.75 1ddm n ASP 153 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.17 1ddm n ASP 153 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1ddm n ASP 153 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1ddm h ARG 154 N 0.00 0.49 0.00 0.11 9.65 -1.94 -3.46 114.38 119.24 1ddm h ARG 154 Ca 0.00 -0.41 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1ddm h ARG 154 Cb 0.00 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1ddm h ARG 154 CO 0.00 1.04 0.00 -1.71 2.80 0.00 0.00 179.97 182.10 1ddm n ASN 155 N -3.85 -3.39 -2.00 -3.80 5.15 -1.26 -5.02 115.26 101.08 1ddm n ASN 155 Ca -0.05 0.78 -0.02 0.00 -0.60 0.00 0.00 54.58 54.69 1ddm n ASN 155 Cb 0.72 3.22 0.06 0.00 -0.53 0.00 0.00 39.78 43.25 1ddm n ASN 155 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ddm n HIS 156 N -3.37 -1.12 1.24 1.20 1.44 -1.26 -4.95 115.22 108.40 1ddm n HIS 156 Ca 0.00 -1.00 0.00 0.00 -2.01 0.00 0.00 57.72 54.71 1ddm n HIS 156 Cb 0.00 1.07 0.00 0.00 0.12 0.00 0.00 29.99 31.18 1ddm n HIS 156 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1ddm n GLU 157 N -0.84 0.64 -2.04 -1.40 1.02 -1.26 -4.79 120.64 111.97 1ddm n GLU 157 Ca -0.14 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.82 1ddm n GLU 157 Cb 0.72 -1.02 -0.04 0.00 -0.02 0.00 0.00 31.44 31.08 1ddm n GLU 157 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ddm n ARG 158 N -0.45 -1.65 -4.06 3.49 3.00 -1.26 -4.95 116.66 110.77 1ddm n ARG 158 Ca 0.00 0.99 -0.32 0.00 -0.01 0.00 0.00 57.85 58.51 1ddm n ARG 158 Cb 0.01 -5.51 -0.15 0.00 0.00 0.00 0.00 32.46 26.81 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 -2.27 1.62 0.15 -0.13 0.00 -1.26 -2.61 107.32 102.82 1ddm s GLY 159 Ca 0.00 -1.66 0.11 0.00 0.00 0.00 0.00 44.72 43.17 1ddm s GLY 159 CO 0.00 0.55 -0.25 -1.36 0.00 0.00 0.00 173.10 172.04 1ddm s PHE 160 N 1.15 2.33 0.28 1.90 0.08 -0.89 -2.85 117.98 119.99 1ddm s PHE 160 Ca -0.06 -0.36 -0.21 0.00 0.12 0.00 0.00 56.93 56.43 1ddm s PHE 160 Cb -0.19 -1.22 0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1ddm s PHE 160 CO -0.06 0.40 0.72 -1.54 -0.10 0.00 0.00 175.22 174.64 1ddm s SER 161 N -2.30 -0.25 0.15 1.36 1.04 -1.01 -1.85 113.70 110.85 1ddm s SER 161 Ca 0.17 -0.63 -0.09 0.00 0.48 0.00 0.00 55.95 55.88 1ddm s SER 161 Cb -0.09 0.73 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 1ddm s SER 161 CO 0.08 -1.36 0.27 -0.72 0.98 0.00 0.00 173.24 172.49 1ddm s TYR 162 N -3.88 0.36 -0.09 5.02 -0.85 -0.99 -2.61 117.35 114.31 1ddm s TYR 162 Ca 0.11 -0.73 0.04 0.00 -0.52 0.00 0.00 57.07 55.97 1ddm s TYR 162 Cb -0.06 -0.06 -0.01 0.00 0.38 0.00 0.00 41.96 42.22 1ddm s TYR 162 CO 0.07 -0.69 -0.22 0.42 -1.52 0.00 0.00 175.55 173.61 1ddm s ILE 163 N -3.95 2.31 0.16 -3.49 1.01 -1.26 -2.05 121.20 113.93 1ddm s ILE 163 Ca 0.15 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.92 1ddm s ILE 163 Cb 0.04 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1ddm s ILE 163 CO -0.02 0.56 -0.02 0.00 0.00 0.00 0.00 174.94 175.47 1ddm s ARG 165 N -2.79 1.85 -0.83 0.00 1.81 -1.26 -2.93 118.95 114.79 1ddm s ARG 165 Ca 0.26 -2.32 0.00 0.00 -1.72 0.00 0.00 55.73 51.95 1ddm s ARG 165 Cb -0.10 -3.33 0.00 0.00 -0.45 0.00 0.00 34.95 31.08 1ddm s ARG 165 CO 0.18 -1.05 0.00 -0.25 -0.68 0.00 0.00 175.30 173.49 1ddm n ASP 166 N 3.60 -3.19 0.12 0.23 8.00 0.46 -4.77 116.55 121.00 1ddm n ASP 166 Ca 0.05 0.26 0.10 0.00 0.71 0.00 0.00 54.79 55.91 1ddm n ASP 166 Cb 0.36 -2.77 0.46 0.00 -0.02 0.00 0.00 41.12 39.16 1ddm n ASP 166 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddm n GLY 167 N -0.69 -1.03 0.00 0.44 0.00 -1.26 -4.11 105.19 98.54 1ddm n GLY 167 Ca -0.11 0.11 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 -2.11 0.00 0.00 2.61 5.66 -1.26 -4.98 114.28 114.20 1ddm n THR 168 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1ddm n THR 168 Cb 0.13 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 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 -2.53 1.09 -1.04 -1.26 -5.01 114.28 105.53 1ddm n THR 169 Ca 0.00 -0.32 -0.21 0.00 -2.04 0.00 0.00 64.05 61.48 1ddm n THR 169 Cb 0.00 0.91 0.00 0.00 -1.82 0.00 0.00 70.33 69.42 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 -0.82 -2.35 -1.53 -2.82 5.12 -1.26 -4.89 116.66 108.11 1ddm n ARG 170 Ca 0.00 0.97 0.00 0.00 -1.93 0.00 0.00 57.85 56.89 1ddm n ARG 170 Cb 0.00 -5.66 0.00 0.00 -1.16 0.00 0.00 32.46 25.64 1ddm n ARG 170 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1ddm n ARG 171 N -3.19 0.00 -3.38 5.56 1.85 -1.26 -4.87 116.66 111.36 1ddm n ARG 171 Ca -0.21 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.26 1ddm n ARG 171 Cb 0.67 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 32.01 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 -3.11 3.40 0.08 2.89 -2.14 -1.26 -0.40 118.94 118.40 1ddm s TRP 172 Ca 0.00 0.66 -0.03 0.00 2.66 0.00 0.00 56.10 59.38 1ddm s TRP 172 Cb 0.00 -2.52 -0.03 0.00 -3.10 0.00 0.00 33.47 27.82 1ddm s TRP 172 CO 0.00 0.03 0.06 -1.64 -2.66 0.00 0.00 176.95 172.74 1ddm s MET 173 N 1.18 0.77 -0.10 3.25 -1.94 -1.15 -3.34 119.30 117.97 1ddm s MET 173 Ca 0.20 -1.19 -0.03 0.00 -1.71 0.00 0.00 55.69 52.95 1ddm s MET 173 Cb -0.15 0.26 0.05 0.00 2.01 0.00 0.00 34.83 37.00 1ddm s MET 173 CO 0.08 -0.20 0.09 0.00 -0.01 0.00 0.00 175.02 174.98 1ddm s HIS 175 N 2.18 3.62 0.02 0.00 3.76 -0.87 -2.27 115.29 121.74 1ddm s HIS 175 Ca 0.04 0.96 0.08 0.00 -0.15 0.00 0.00 55.06 55.99 1ddm s HIS 175 Cb -0.14 -2.45 -0.03 0.00 1.11 0.00 0.00 32.58 31.07 1ddm s HIS 175 CO -0.06 0.38 -0.22 0.20 -0.85 0.00 0.00 174.74 174.19 1ddm s GLY 176 N -0.15 1.45 0.03 -2.22 0.00 -1.17 -2.34 107.32 102.92 1ddm s GLY 176 Ca 0.25 -1.18 -0.14 0.00 0.00 0.00 0.00 44.72 43.65 1ddm s GLY 176 CO 0.12 -1.05 0.31 -0.11 0.00 0.00 0.00 173.10 172.37 1ddm s PHE 177 N -0.80 -0.12 -0.04 1.90 -0.71 -0.77 -2.39 117.98 115.05 1ddm s PHE 177 Ca 0.12 0.02 0.04 0.00 -1.04 0.00 0.00 56.93 56.07 1ddm s PHE 177 Cb -0.10 0.10 -0.00 0.00 -1.21 0.00 0.00 43.02 41.80 1ddm s PHE 177 CO 0.02 -0.49 -0.16 -0.51 -1.34 0.00 0.00 175.22 172.75 1ddm s LEU 178 N -1.95 1.90 -0.03 -1.99 1.43 -1.22 -2.09 118.68 114.72 1ddm s LEU 178 Ca -0.06 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 1ddm s LEU 178 Cb -0.01 -0.91 -0.08 0.00 0.03 0.00 0.00 46.19 45.21 1ddm s LEU 178 CO -0.02 0.14 2.04 0.00 0.23 0.00 0.00 176.35 178.74 1ddm n ALA 179 N 3.15 1.62 0.30 4.21 0.00 -1.07 -0.44 120.51 128.28 1ddm n ALA 179 Ca -0.18 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.49 1ddm n ALA 179 Cb 0.53 -2.74 0.63 0.00 0.00 0.00 0.00 19.45 17.88 1ddm n ALA 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ddm h LYS 181 N 0.00 0.00 -5.32 0.00 1.79 -1.88 -3.49 116.57 107.66 1ddm h LYS 181 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1ddm h LYS 181 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1ddm h LYS 181 CO 0.00 0.40 -0.90 -0.25 -1.08 0.00 0.00 179.45 177.62 1ddm n ASP 182 N -2.99 -7.84 0.00 0.86 9.92 -0.65 -4.97 116.55 110.88 1ddm n ASP 182 Ca -0.09 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.28 1ddm n ASP 182 Cb 0.88 -4.92 0.00 0.00 -0.64 0.00 0.00 41.12 36.44 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 0.53 0.00 -0.82 -2.24 2.88 -1.26 -5.02 113.62 107.68 1ddm n SER 183 Ca 0.02 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.46 1ddm n SER 183 Cb 0.16 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.58 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 -0.51 1.15 0.00 0.46 0.00 -1.26 -4.81 105.19 100.22 1ddm n GLY 184 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1ddm n GLY 184 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ddm n GLU 185 N -2.67 -0.02 -0.00 1.61 1.02 -1.26 -4.29 120.64 115.02 1ddm n GLU 185 Ca -0.11 -0.18 0.07 0.00 -0.02 0.00 0.00 57.16 56.93 1ddm n GLU 185 Cb 0.36 -0.56 -0.10 0.00 -0.02 0.00 0.00 31.44 31.12 1ddm n GLU 185 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ddm n ARG 186 N -0.01 1.34 0.00 3.49 5.12 -1.26 -4.57 116.66 120.76 1ddm n ARG 186 Ca 0.00 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1ddm n ARG 186 Cb 0.27 -1.27 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 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 -1.67 0.81 0.49 0.55 4.32 -1.26 -4.00 117.00 116.23 1ddm n LEU 187 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 1ddm n LEU 187 Cb 0.31 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.01 1ddm n LEU 187 CO 0.31 0.14 0.54 -1.28 -1.22 0.00 0.00 177.39 175.87 1ddm h SER 188 N 0.00 -1.17 0.78 -1.43 0.87 -1.86 -0.44 113.55 110.30 1ddm h SER 188 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1ddm h SER 188 Cb 0.27 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1ddm h SER 188 CO 0.00 -0.79 0.00 -0.74 -0.53 0.00 0.00 176.83 174.77 1ddm h HIS 189 N -1.29 0.00 -0.14 2.24 2.76 -1.81 -2.60 115.15 114.32 1ddm h HIS 189 Ca -0.13 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 57.86 1ddm h HIS 189 Cb 1.00 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.97 1ddm h HIS 189 CO -0.03 0.00 -0.65 0.00 -1.30 0.00 0.00 177.93 175.95 1ddm h ALA 190 N 2.08 0.27 0.00 5.26 0.00 -1.72 -3.19 119.26 121.96 1ddm h ALA 190 Ca 0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 1ddm h ALA 190 Cb 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ddm h ALA 190 CO 0.00 0.55 -0.65 0.28 0.00 0.00 0.00 179.25 179.43 1ddm h VAL 191 N 0.37 1.42 0.00 0.00 2.07 -0.82 -2.89 116.25 116.40 1ddm h VAL 191 Ca -0.04 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.22 1ddm h VAL 191 Cb 1.28 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1ddm h VAL 191 CO 0.13 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.97 1ddm n GLY 192 N 0.43 -0.62 0.01 2.17 0.00 -1.00 -1.36 105.19 104.81 1ddm n GLY 192 Ca -0.01 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 1.17 -1.29 -0.19 0.00 0.00 -1.18 -2.81 119.26 114.96 1ddm h ALA 194 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1ddm h ALA 194 Cb 0.57 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ddm h ALA 194 CO 0.00 -1.23 -0.13 0.27 0.00 0.00 0.00 179.25 178.16 1ddm h PHE 195 N -1.19 0.33 0.00 0.00 -0.00 -1.83 -1.90 116.94 112.34 1ddm h PHE 195 Ca -0.11 -0.04 0.00 0.00 -0.00 0.00 0.00 57.97 57.82 1ddm h PHE 195 Cb 0.93 -0.09 0.00 0.00 -0.00 0.00 0.00 35.95 36.79 1ddm h PHE 195 CO -0.04 0.44 0.11 0.00 -0.00 0.00 0.00 178.31 178.82 1ddm h ALA 196 N 1.58 1.09 0.00 12.09 0.00 -1.69 -0.70 119.26 131.62 1ddm h ALA 196 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 1ddm h ALA 196 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1ddm h ALA 196 CO 0.02 -0.09 -2.02 0.28 0.00 0.00 0.00 179.25 177.45 1ddm n VAL 197 N -2.51 1.01 0.58 0.00 0.31 -0.75 -4.33 118.33 112.65 1ddm n VAL 197 Ca -0.02 -0.63 0.08 0.00 -0.01 0.00 0.00 64.34 63.76 1ddm n VAL 197 Cb 0.15 -0.60 0.35 0.00 -0.91 0.00 0.00 33.84 32.83 1ddm n VAL 197 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddm n LEU 199 N -1.48 5.42 0.00 0.00 4.77 -0.83 -4.73 117.00 120.16 1ddm n LEU 199 Ca 0.04 -4.08 0.00 0.00 -0.03 0.00 0.00 56.01 51.94 1ddm n LEU 199 Cb 0.18 -1.70 0.00 0.00 -2.33 0.00 0.00 43.42 39.57 1ddm n LEU 199 CO 0.15 0.48 0.00 1.21 -1.33 0.00 0.00 177.39 177.89 1ddm n GLU 200 N 7.33 0.00 0.00 3.23 0.00 -1.26 -5.07 120.64 124.87 1ddm n GLU 200 Ca 0.47 0.13 0.13 0.00 0.00 0.00 0.00 57.16 57.90 1ddm n GLU 200 Cb 0.44 -0.51 0.40 0.00 0.00 0.00 0.00 31.44 31.77 1ddm n GLU 200 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00