#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 0.61 0.29 1.57 -0.06 -1.26 -4.37 117.38 114.16 1ddm n GLN 68 Ca 0.00 0.23 0.17 0.00 -2.00 0.00 0.00 57.00 55.41 1ddm n GLN 68 Cb 0.00 -1.51 0.80 0.00 -4.06 0.00 0.00 30.24 25.47 1ddm n GLN 68 CO 0.00 0.00 0.00 -1.49 -0.20 0.00 0.00 177.06 175.37 1ddm h TRP 69 N -0.68 0.00 0.00 3.69 4.06 -2.05 -1.49 115.95 119.48 1ddm h TRP 69 Ca -0.66 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.29 1ddm h TRP 69 Cb 1.70 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.86 1ddm h TRP 69 CO -0.05 0.04 0.00 1.96 -3.56 0.00 0.00 178.44 176.83 1ddm h GLN 70 N 0.00 0.00 0.00 0.49 4.20 -2.01 -1.42 115.11 116.37 1ddm h GLN 70 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1ddm h GLN 70 Cb 0.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1ddm h GLN 70 CO 0.00 0.00 -1.71 0.00 -0.67 0.00 0.00 178.83 176.45 1ddm n ALA 71 N -2.02 2.40 0.09 3.87 0.00 -0.66 -4.46 120.51 119.73 1ddm n ALA 71 Ca 0.01 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 52.90 1ddm n ALA 71 Cb 0.29 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.23 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 0.30 0.47 0.00 3.32 -1.09 -2.26 116.42 117.16 1ddm h ASP 72 Ca -0.06 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 1ddm h ASP 72 Cb 0.86 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 1ddm h ASP 72 CO 0.00 1.17 -0.05 -0.33 -1.72 0.00 0.00 179.24 178.31 1ddm h GLU 73 N 0.08 0.00 0.00 3.56 5.08 -1.48 -1.81 114.58 120.01 1ddm h GLU 73 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ddm h GLU 73 Cb 1.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1ddm h GLU 73 CO 0.16 0.05 -1.34 0.39 -1.00 0.00 0.00 179.01 177.28 1ddm n GLU 74 N -3.32 0.37 -0.10 2.33 1.02 -1.19 -4.39 120.64 115.36 1ddm n GLU 74 Ca -0.01 -0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 56.97 1ddm n GLU 74 Cb 0.22 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 1ddm n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ddm h ALA 75 N 2.55 0.42 -0.67 0.62 0.00 -0.70 -1.99 119.26 119.49 1ddm h ALA 75 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ddm h ALA 75 Cb 0.66 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1ddm h ALA 75 CO 0.00 -0.15 0.37 0.28 0.00 0.00 0.00 179.25 179.76 1ddm h VAL 76 N 0.42 1.21 -0.77 0.00 2.07 -1.76 -1.45 116.25 115.97 1ddm h VAL 76 Ca 0.13 -0.51 0.14 0.00 0.82 0.00 0.00 66.70 67.28 1ddm h VAL 76 Cb -0.02 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 1ddm h VAL 76 CO -0.05 0.23 0.51 0.03 0.02 0.00 0.00 177.57 178.31 1ddm h ARG 77 N 0.92 0.46 0.00 1.57 3.08 -1.65 0.02 114.38 118.78 1ddm h ARG 77 Ca 0.24 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1ddm h ARG 77 Cb 0.03 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1ddm h ARG 77 CO -0.04 0.31 0.00 0.43 -1.07 0.00 0.00 179.97 179.60 1ddm n SER 78 N -4.49 0.00 0.00 7.04 7.64 -0.63 -4.78 113.62 118.40 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 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 -3.09 -0.43 0.00 -0.70 -4.50 120.51 108.80 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 -0.32 -0.39 0.00 -1.32 -0.68 -4.21 115.64 108.72 1ddm s THR 80 Ca 0.00 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.58 1ddm s THR 80 Cb 0.00 -0.25 0.31 0.00 -1.51 0.00 0.00 72.50 71.05 1ddm s THR 80 CO 0.00 0.00 0.67 0.00 -2.21 0.00 0.00 174.62 173.08 1ddm n SER 82 N 0.65 0.00 -1.54 0.00 2.88 -1.25 -4.10 113.62 110.26 1ddm n SER 82 Ca 0.24 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.74 1ddm n SER 82 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1ddm n SER 82 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1ddm n PHE 83 N 0.00 -1.08 -1.35 0.66 3.72 -1.03 -4.88 117.46 113.50 1ddm n PHE 83 Ca 0.00 -0.61 -0.37 0.00 -0.05 0.00 0.00 57.45 56.43 1ddm n PHE 83 Cb 0.00 0.22 0.06 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.55 -0.94 -0.80 4.37 2.88 -1.26 -1.61 113.62 114.71 1ddm n SER 84 Ca -0.01 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1ddm n SER 84 Cb 0.17 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 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 -2.14 0.00 -3.01 2.46 0.24 -0.09 -2.75 118.33 113.03 1ddm n VAL 85 Ca 0.11 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.25 1ddm n VAL 85 Cb 0.49 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 0.00 0.86 -1.77 7.34 5.02 0.05 -4.00 118.16 125.66 1ddm n LYS 86 Ca 0.00 -2.69 -0.42 0.00 -2.02 0.00 0.00 58.31 53.17 1ddm n LYS 86 Cb 0.00 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1ddm n LYS 86 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1ddm s TYR 87 N -0.84 1.47 -0.68 2.13 6.14 -1.14 -2.59 117.35 121.85 1ddm s TYR 87 Ca 0.33 0.01 0.04 0.00 0.64 0.00 0.00 57.07 58.09 1ddm s TYR 87 Cb 0.26 -4.09 0.32 0.00 0.42 0.00 0.00 41.96 38.86 1ddm s TYR 87 CO -0.12 -4.60 1.05 1.47 0.64 0.00 0.00 175.55 173.98 1ddm n LEU 88 N 8.55 4.81 0.00 6.97 -0.00 -0.99 -0.80 117.00 135.55 1ddm n LEU 88 Ca 0.22 -5.58 0.00 0.00 -0.00 0.00 0.00 56.01 50.65 1ddm n LEU 88 Cb 0.43 -0.70 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 1ddm n LEU 88 CO 0.66 2.22 0.00 0.61 -0.00 0.00 0.00 177.39 180.89 1ddm n GLY 89 N 0.08 -0.86 2.97 1.47 0.00 -0.74 -4.42 105.19 103.69 1ddm n GLY 89 Ca 0.33 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.93 2.79 0.30 0.00 -7.23 -0.59 -4.96 120.40 109.78 1ddm s VAL 91 Ca -0.08 -1.95 -0.22 0.00 -1.81 0.00 0.00 61.98 57.91 1ddm s VAL 91 Cb -0.07 -2.80 -0.09 0.00 0.56 0.00 0.00 36.38 33.98 1ddm s VAL 91 CO -0.00 -0.24 0.85 -1.83 -0.31 0.00 0.00 175.10 173.57 1ddm s GLU 92 N -3.71 4.35 0.32 4.82 -1.05 -1.26 -1.70 118.70 120.47 1ddm s GLU 92 Ca 0.34 1.06 0.06 0.00 -0.15 0.00 0.00 54.97 56.29 1ddm s GLU 92 Cb -0.02 -2.70 -0.03 0.00 -0.44 0.00 0.00 34.13 30.95 1ddm s GLU 92 CO 0.20 0.26 0.25 0.14 0.95 0.00 0.00 175.26 177.05 1ddm s VAL 93 N -1.71 0.06 -0.41 1.83 -7.23 -1.17 -4.87 120.40 106.91 1ddm s VAL 93 Ca 0.50 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.75 1ddm s VAL 93 Cb -0.16 -2.48 0.29 0.00 0.56 0.00 0.00 36.38 34.59 1ddm s VAL 93 CO 0.20 0.00 0.72 0.33 -0.31 0.00 0.00 175.10 176.04 1ddm n PHE 94 N -0.61 -1.01 0.00 2.82 -0.00 -1.26 -4.69 117.46 112.71 1ddm n PHE 94 Ca 0.06 -3.16 0.00 0.00 -0.00 0.00 0.00 57.45 54.34 1ddm n PHE 94 Cb 0.63 0.19 0.00 0.00 -0.00 0.00 0.00 39.48 40.30 1ddm n PHE 94 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1ddm n GLU 95 N 0.98 0.00 -0.71 -4.13 1.02 -1.26 -5.00 120.64 111.54 1ddm n GLU 95 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1ddm n GLU 95 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.03 1ddm n GLU 95 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ddm n SER 96 N -1.67 -0.37 -3.44 1.62 3.41 -1.26 -4.88 113.62 107.03 1ddm n SER 96 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1ddm n SER 96 Cb 0.00 -1.63 -0.06 0.00 -0.26 0.00 0.00 64.21 62.26 1ddm n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ddm s ARG 97 N -0.67 0.42 0.00 4.33 1.70 -1.26 -4.88 118.95 118.59 1ddm s ARG 97 Ca 0.00 0.93 0.00 0.00 -0.47 0.00 0.00 55.73 56.19 1ddm s ARG 97 Cb 0.00 0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 1ddm s ARG 97 CO 0.00 -0.45 0.00 0.41 -1.08 0.00 0.00 175.30 174.18 1ddm n GLY 98 N 5.40 3.60 5.02 3.88 0.00 -1.26 -5.02 105.19 116.81 1ddm n GLY 98 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1ddm n GLY 98 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ddm n MET 99 N 0.00 0.00 0.00 1.61 0.00 -1.26 -2.88 117.12 114.60 1ddm n MET 99 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1ddm n MET 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1ddm n MET 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1ddm n GLN 100 N 0.00 0.31 -1.69 2.12 6.02 -1.26 -5.02 117.38 117.86 1ddm n GLN 100 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1ddm n GLN 100 Cb 0.00 -0.15 -0.03 0.00 1.02 0.00 0.00 30.24 31.08 1ddm n GLN 100 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ddm n VAL 101 N -0.41 -0.16 -0.00 5.09 0.31 -1.14 -4.68 118.33 117.33 1ddm n VAL 101 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ddm n VAL 101 Cb 0.00 -1.10 -0.01 0.00 -0.91 0.00 0.00 33.84 31.82 1ddm n VAL 101 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddm n GLU 103 N -1.76 0.05 -0.09 0.00 4.71 -1.26 -2.31 120.64 119.97 1ddm n GLU 103 Ca -0.01 0.15 -0.17 0.00 -0.01 0.00 0.00 57.16 57.12 1ddm n GLU 103 Cb 0.25 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.13 1ddm n GLU 103 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ddm n GLU 104 N -1.47 0.44 0.06 3.49 1.02 -1.26 -4.20 120.64 118.72 1ddm n GLU 104 Ca 0.06 0.19 -0.11 0.00 -0.02 0.00 0.00 57.16 57.27 1ddm n GLU 104 Cb 0.22 -1.25 -0.06 0.00 -0.02 0.00 0.00 31.44 30.34 1ddm n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ddm h ALA 105 N -0.77 -0.09 -0.39 0.62 0.00 -1.75 -1.80 119.26 115.08 1ddm h ALA 105 Ca -0.34 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1ddm h ALA 105 Cb 1.21 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1ddm h ALA 105 CO -0.21 -0.57 0.26 1.25 0.00 0.00 0.00 179.25 179.98 1ddm h LEU 106 N -0.14 0.22 -0.38 0.00 5.85 -1.74 -1.56 115.31 117.56 1ddm h LEU 106 Ca 0.02 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1ddm h LEU 106 Cb 0.17 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1ddm h LEU 106 CO -0.07 0.15 -0.09 0.50 -0.34 0.00 0.00 178.44 178.59 1ddm h LYS 107 N 0.25 0.73 -0.05 1.25 1.63 -1.52 -1.25 116.57 117.62 1ddm h LYS 107 Ca 0.17 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1ddm h LYS 107 Cb 0.36 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1ddm h LYS 107 CO -0.03 0.87 -0.00 0.28 -3.45 0.00 0.00 179.45 177.11 1ddm h VAL 108 N 0.53 0.96 0.00 2.00 2.07 -0.53 0.30 116.25 121.58 1ddm h VAL 108 Ca 0.10 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1ddm h VAL 108 Cb 0.60 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1ddm h VAL 108 CO 0.04 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 177.41 1ddm h LEU 109 N 0.01 0.00 -0.29 2.57 3.38 -1.44 -0.67 115.31 118.87 1ddm h LEU 109 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1ddm h LEU 109 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ddm h LEU 109 CO -0.04 0.15 -0.49 -0.09 0.09 0.00 0.00 178.44 178.05 1ddm h ARG 110 N 0.00 0.00 0.00 1.13 9.65 -0.25 -3.20 114.38 121.70 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 0.41 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1ddm h ARG 110 CO 0.02 0.49 -1.13 1.04 2.80 0.00 0.00 179.97 183.19 1ddm n GLN 111 N -3.32 0.60 -4.22 0.20 6.02 0.00 -4.95 117.38 111.72 1ddm n GLN 111 Ca 0.01 0.08 -0.29 0.00 -0.01 0.00 0.00 57.00 56.79 1ddm n GLN 111 Cb 0.68 -1.78 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 1ddm n GLN 111 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1ddm s SER 112 N -5.22 4.45 -0.88 1.08 0.01 -0.35 -5.08 113.70 107.71 1ddm s SER 112 Ca -0.01 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 55.81 1ddm s SER 112 Cb 0.10 0.55 0.27 0.00 0.21 0.00 0.00 66.02 67.15 1ddm s SER 112 CO 0.81 -1.06 1.06 0.54 0.41 0.00 0.00 173.24 175.00 1ddm n ARG 113 N -1.61 3.36 -0.63 12.44 5.12 -1.26 -4.83 116.66 129.24 1ddm n ARG 113 Ca -0.09 -4.58 -0.05 0.00 -1.93 0.00 0.00 57.85 51.19 1ddm n ARG 113 Cb 0.65 -2.40 0.00 0.00 -1.16 0.00 0.00 32.46 29.56 1ddm n ARG 113 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ddm n ARG 114 N 1.37 1.26 -2.93 5.56 5.12 -1.26 -4.80 116.66 120.98 1ddm n ARG 114 Ca 0.27 -0.48 -0.08 0.00 -1.93 0.00 0.00 57.85 55.63 1ddm n ARG 114 Cb 0.37 -1.21 0.01 0.00 -1.16 0.00 0.00 32.46 30.47 1ddm n ARG 114 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ddm n ARG 115 N 1.22 -2.15 -2.72 5.56 5.12 -1.26 -1.79 116.66 120.63 1ddm n ARG 115 Ca 0.10 1.96 -0.43 0.00 -1.93 0.00 0.00 57.85 57.56 1ddm n ARG 115 Cb 0.53 -5.52 -0.03 0.00 -1.16 0.00 0.00 32.46 26.29 1ddm n ARG 115 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1ddm s PRO 116 N -2.71 4.30 -0.05 5.56 0.04 -1.26 -3.87 135.00 137.01 1ddm s PRO 116 Ca 0.20 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.54 1ddm s PRO 116 Cb -0.05 -3.61 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 1ddm s PRO 116 CO 0.77 -0.50 -0.08 0.08 0.04 0.00 0.00 177.00 177.31 1ddm s VAL 117 N 2.73 3.61 -0.50 -0.36 1.01 0.02 -4.97 120.40 121.95 1ddm s VAL 117 Ca 0.43 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 1ddm s VAL 117 Cb -0.16 -2.48 0.09 0.00 0.00 0.00 0.00 36.38 33.82 1ddm s VAL 117 CO 0.10 0.56 0.45 -0.60 0.00 0.00 0.00 175.10 175.61 1ddm s ARG 118 N -0.91 2.99 0.28 2.72 3.52 -1.26 -2.86 118.95 123.44 1ddm s ARG 118 Ca 0.13 -1.42 0.02 0.00 -0.13 0.00 0.00 55.73 54.34 1ddm s ARG 118 Cb -0.11 -4.18 -0.04 0.00 -1.56 0.00 0.00 34.95 29.06 1ddm s ARG 118 CO 0.02 -1.14 0.14 0.20 -0.81 0.00 0.00 175.30 173.71 1ddm s GLY 119 N 2.92 1.92 -0.16 8.12 0.00 -1.26 -1.72 107.32 117.14 1ddm s GLY 119 Ca 0.05 -1.78 -0.18 0.00 0.00 0.00 0.00 44.72 42.81 1ddm s GLY 119 CO 0.06 -1.58 0.47 -2.27 0.00 0.00 0.00 173.10 169.78 1ddm s LEU 120 N -3.34 4.21 -0.17 0.66 1.98 0.59 -0.92 118.68 121.69 1ddm s LEU 120 Ca 0.36 0.70 -0.13 0.00 -2.89 0.00 0.00 54.13 52.18 1ddm s LEU 120 Cb 0.06 -2.65 -0.05 0.00 0.66 0.00 0.00 46.19 44.21 1ddm s LEU 120 CO 0.16 -0.07 0.26 -0.22 -1.89 0.00 0.00 176.35 174.59 1ddm s LEU 121 N 1.07 4.23 -0.51 -0.68 2.96 -0.63 -1.29 118.68 123.83 1ddm s LEU 121 Ca 0.24 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 1ddm s LEU 121 Cb -0.15 -2.31 0.13 0.00 0.50 0.00 0.00 46.19 44.36 1ddm s LEU 121 CO 0.09 0.11 0.28 -1.00 -1.32 0.00 0.00 176.35 174.51 1ddm s HIS 122 N 0.51 3.40 -0.43 5.38 3.76 -0.46 -2.45 115.29 125.00 1ddm s HIS 122 Ca 0.14 -2.91 -0.27 0.00 -0.15 0.00 0.00 55.06 51.87 1ddm s HIS 122 Cb -0.13 -3.01 -0.08 0.00 1.11 0.00 0.00 32.58 30.48 1ddm s HIS 122 CO 0.03 -0.84 2.37 0.28 -0.85 0.00 0.00 174.74 175.73 1ddm n VAL 123 N 3.60 0.05 -3.86 -0.90 0.31 -1.26 -3.24 118.33 113.04 1ddm n VAL 123 Ca 0.05 -0.64 -0.36 0.00 -0.01 0.00 0.00 64.34 63.38 1ddm n VAL 123 Cb 0.37 -2.55 -0.07 0.00 -0.91 0.00 0.00 33.84 30.67 1ddm n VAL 123 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ddm s SER 124 N 10.73 6.17 0.00 4.52 0.15 -1.26 -0.15 113.70 133.86 1ddm s SER 124 Ca 1.02 0.31 0.02 0.00 0.70 0.00 0.00 55.95 58.00 1ddm s SER 124 Cb -0.32 -2.04 0.14 0.00 -1.71 0.00 0.00 66.02 62.10 1ddm s SER 124 CO 0.31 0.29 0.66 0.61 1.20 0.00 0.00 173.24 176.30 1ddm n GLY 125 N 2.81 -0.53 1.21 9.45 0.00 -0.01 -2.15 105.19 115.97 1ddm n GLY 125 Ca -0.18 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.57 0.95 0.00 1.61 2.03 -1.26 -4.50 116.55 114.81 1ddm n ASP 126 Ca 0.02 -2.23 0.00 0.00 0.52 0.00 0.00 54.79 53.09 1ddm n ASP 126 Cb 0.01 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 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 0.20 2.92 3.72 0.27 0.00 -0.92 -4.79 105.19 106.59 1ddm n GLY 127 Ca 0.07 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 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 4.62 -3.79 0.99 4.77 -1.18 -4.19 117.00 118.21 1ddm n LEU 128 Ca 0.00 1.05 -0.20 0.00 -0.03 0.00 0.00 56.01 56.82 1ddm n LEU 128 Cb 0.00 -1.53 -0.17 0.00 -2.33 0.00 0.00 43.42 39.39 1ddm n LEU 128 CO 0.00 -0.65 -0.38 -0.13 -1.33 0.00 0.00 177.39 174.90 1ddm s ARG 129 N -2.49 0.48 -0.30 3.23 0.52 -1.20 -3.61 118.95 115.58 1ddm s ARG 129 Ca 0.65 0.09 -0.05 0.00 -0.52 0.00 0.00 55.73 55.91 1ddm s ARG 129 Cb -0.46 -0.75 0.03 0.00 0.52 0.00 0.00 34.95 34.28 1ddm s ARG 129 CO 0.54 -0.22 0.05 0.08 0.02 0.00 0.00 175.30 175.78 1ddm s VAL 130 N 1.52 3.56 -0.32 3.52 1.01 -0.95 -1.35 120.40 127.39 1ddm s VAL 130 Ca -0.02 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.89 1ddm s VAL 130 Cb -0.13 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1ddm s VAL 130 CO -0.03 0.01 0.16 -0.69 0.00 0.00 0.00 175.10 174.54 1ddm s VAL 131 N 1.40 4.51 0.50 2.92 1.01 -0.41 -2.09 120.40 128.24 1ddm s VAL 131 Ca -0.00 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 1ddm s VAL 131 Cb -0.18 -3.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1ddm s VAL 131 CO 0.01 -0.00 0.62 0.47 0.00 0.00 0.00 175.10 176.19 1ddm n ASP 132 N 4.97 -0.59 -1.12 3.32 8.00 -1.08 -0.30 116.55 129.75 1ddm n ASP 132 Ca -0.13 0.84 0.10 0.00 0.71 0.00 0.00 54.79 56.31 1ddm n ASP 132 Cb 0.48 -1.19 0.26 0.00 -0.02 0.00 0.00 41.12 40.65 1ddm n ASP 132 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ddm n ASP 133 N 0.73 3.58 0.00 -2.24 -0.08 -0.70 -1.61 116.55 116.23 1ddm n ASP 133 Ca 0.11 -1.98 0.00 0.00 -1.51 0.00 0.00 54.79 51.41 1ddm n ASP 133 Cb 0.43 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1ddm n ASP 133 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ddm n GLU 134 N 1.32 -0.02 0.00 -0.67 4.71 -1.25 -4.81 120.64 119.91 1ddm n GLU 134 Ca 0.20 -0.18 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 1ddm n GLU 134 Cb 0.56 -0.65 0.00 0.00 -1.01 0.00 0.00 31.44 30.34 1ddm n GLU 134 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1ddm n THR 135 N -0.05 0.00 -2.01 2.62 -1.04 -1.26 -5.01 114.28 107.53 1ddm n THR 135 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1ddm n THR 135 Cb 0.13 0.35 -0.03 0.00 -1.82 0.00 0.00 70.33 68.95 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 0.00 -1.73 -0.02 -2.82 4.76 -0.63 -4.92 118.16 112.79 1ddm n LYS 136 Ca 0.00 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.26 1ddm n LYS 136 Cb 0.00 -5.30 0.00 0.00 -1.84 0.00 0.00 35.03 27.89 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 -0.63 -0.91 3.12 0.72 0.00 -1.26 -4.59 105.19 101.64 1ddm n GLY 137 Ca -0.17 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 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 2.61 -0.20 0.99 2.96 -1.26 -2.64 118.68 121.14 1ddm s LEU 138 Ca 0.00 -0.86 -0.16 0.00 -0.22 0.00 0.00 54.13 52.89 1ddm s LEU 138 Cb 0.00 -1.53 -0.08 0.00 0.50 0.00 0.00 46.19 45.09 1ddm s LEU 138 CO 0.00 -0.06 -0.30 -0.38 -1.32 0.00 0.00 176.35 174.29 1ddm n ILE 139 N 4.58 1.50 -4.00 6.68 5.41 -0.89 -4.94 119.36 127.70 1ddm n ILE 139 Ca -0.19 0.03 -0.30 0.00 1.00 0.00 0.00 62.75 63.29 1ddm n ILE 139 Cb 0.48 -2.24 -0.16 0.00 -0.71 0.00 0.00 39.64 37.01 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 -2.70 1.60 -0.26 1.39 1.01 -1.26 -4.99 120.40 115.20 1ddm s VAL 140 Ca -0.29 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 60.93 1ddm s VAL 140 Cb 0.06 -1.62 0.45 0.00 0.00 0.00 0.00 36.38 35.27 1ddm s VAL 140 CO 0.42 0.27 1.20 -0.90 0.00 0.00 0.00 175.10 176.09 1ddm n ASP 141 N 4.72 3.62 -2.31 3.32 5.68 -1.26 -2.23 116.55 128.10 1ddm n ASP 141 Ca -0.15 -3.68 0.00 0.00 -0.50 0.00 0.00 54.79 50.46 1ddm n ASP 141 Cb 0.48 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1ddm n ASP 141 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ddm n GLN 142 N -0.81 0.54 -4.23 0.11 1.13 -1.24 -4.94 117.38 107.94 1ddm n GLN 142 Ca 0.33 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 55.21 1ddm n GLN 142 Cb 0.88 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 31.11 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 -0.41 1.31 0.11 5.09 2.01 -1.26 -3.11 115.64 119.38 1ddm s THR 143 Ca 0.00 -1.66 -0.17 0.00 0.31 0.00 0.00 61.69 60.17 1ddm s THR 143 Cb 0.00 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1ddm s THR 143 CO 0.00 -0.38 1.56 0.40 -0.69 0.00 0.00 174.62 175.50 1ddm h ILE 144 N 3.63 1.25 0.00 1.82 2.04 -1.88 -1.41 117.51 122.95 1ddm h ILE 144 Ca -0.40 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.55 1ddm h ILE 144 Cb 1.19 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1ddm h ILE 144 CO 0.49 0.30 0.00 -1.84 0.00 0.00 0.00 178.15 177.10 1ddm n GLU 145 N -4.56 0.91 -0.10 2.37 0.28 -1.26 -3.39 120.64 114.90 1ddm n GLU 145 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.75 1ddm n GLU 145 Cb 0.25 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.50 1ddm n GLU 145 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1ddm n LYS 146 N -1.01 0.64 -1.86 3.44 4.81 -0.85 -4.96 118.16 118.37 1ddm n LYS 146 Ca 0.22 0.29 -0.37 0.00 -0.87 0.00 0.00 58.31 57.58 1ddm n LYS 146 Cb 0.11 -1.60 0.04 0.00 0.02 0.00 0.00 35.03 33.60 1ddm n LYS 146 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1ddm s VAL 147 N -2.49 2.27 0.01 3.15 -7.23 -0.59 -4.95 120.40 110.56 1ddm s VAL 147 Ca -0.32 0.18 -0.07 0.00 -1.81 0.00 0.00 61.98 59.97 1ddm s VAL 147 Cb 0.09 -3.08 -0.30 0.00 0.56 0.00 0.00 36.38 33.65 1ddm s VAL 147 CO 0.61 -0.02 0.89 -1.28 -0.31 0.00 0.00 175.10 174.99 1ddm h SER 148 N 1.12 0.51 -2.86 4.85 0.87 -1.44 -3.49 113.55 113.10 1ddm h SER 148 Ca -0.51 -0.66 -0.14 0.00 -1.23 0.00 0.00 61.79 59.26 1ddm h SER 148 Cb 1.31 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 1ddm h SER 148 CO 0.56 1.54 -0.13 0.49 -0.53 0.00 0.00 176.83 178.76 1ddm n PHE 149 N -3.53 -0.16 -1.70 2.24 3.01 -1.25 -4.94 117.46 111.12 1ddm n PHE 149 Ca -0.17 -0.76 -0.02 0.00 1.01 0.00 0.00 57.45 57.51 1ddm n PHE 149 Cb 1.06 0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 40.57 1ddm n PHE 149 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ddm n ALA 151 N 0.00 0.07 -0.03 0.00 0.00 -1.09 -4.56 120.51 114.90 1ddm n ALA 151 Ca -0.09 0.40 0.08 0.00 0.00 0.00 0.00 53.44 53.83 1ddm n ALA 151 Cb 0.41 -2.08 0.27 0.00 0.00 0.00 0.00 19.45 18.06 1ddm n ALA 151 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ddm n PRO 152 N 0.92 2.84 -2.99 0.00 -0.04 -1.26 -1.27 135.00 133.20 1ddm n PRO 152 Ca 0.10 -2.20 -0.06 0.00 -0.04 0.00 0.00 63.50 61.29 1ddm n PRO 152 Cb 0.32 -1.64 0.03 0.00 -0.04 0.00 0.00 33.50 32.17 1ddm n PRO 152 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ddm n ASP 153 N 1.00 -6.76 0.00 3.54 9.92 -1.22 -2.56 116.55 120.47 1ddm n ASP 153 Ca 0.20 -0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1ddm n ASP 153 Cb 0.63 -4.84 0.00 0.00 -0.64 0.00 0.00 41.12 36.28 1ddm n ASP 153 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ddm n ARG 154 N -2.34 -1.56 -2.53 -1.24 1.74 -1.26 -2.73 116.66 106.74 1ddm n ARG 154 Ca -0.03 0.39 -0.12 0.00 -0.77 0.00 0.00 57.85 57.32 1ddm n ARG 154 Cb 0.55 -4.81 -0.00 0.00 -1.02 0.00 0.00 32.46 27.18 1ddm n ARG 154 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ddm n ASN 155 N -0.78 -3.67 0.00 0.55 4.05 -1.06 -4.73 115.26 109.62 1ddm n ASN 155 Ca 0.00 0.17 0.00 0.00 0.45 0.00 0.00 54.58 55.20 1ddm n ASN 155 Cb 0.39 -3.12 0.00 0.00 1.23 0.00 0.00 39.78 38.28 1ddm n ASN 155 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 177.26 175.78 1ddm n HIS 156 N -3.37 0.00 1.45 1.20 -0.00 -1.10 -4.65 115.22 108.74 1ddm n HIS 156 Ca -0.12 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.20 1ddm n HIS 156 Cb 0.60 0.00 0.54 0.00 -0.12 0.00 0.00 29.99 31.00 1ddm n HIS 156 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1ddm n GLU 157 N -1.34 1.19 -1.89 1.57 2.13 -1.21 -4.91 120.64 116.18 1ddm n GLU 157 Ca 0.00 -0.61 -0.18 0.00 0.66 0.00 0.00 57.16 57.03 1ddm n GLU 157 Cb 0.12 -1.49 -0.05 0.00 0.27 0.00 0.00 31.44 30.30 1ddm n GLU 157 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ddm n ARG 158 N -0.37 -1.60 -4.19 5.31 1.74 -1.26 -4.92 116.66 111.37 1ddm n ARG 158 Ca 0.17 0.96 -0.21 0.00 -0.77 0.00 0.00 57.85 58.00 1ddm n ARG 158 Cb 0.32 -5.42 -0.16 0.00 -1.02 0.00 0.00 32.46 26.17 1ddm n ARG 158 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ddm s GLY 159 N -2.30 0.50 0.39 -0.13 0.00 -1.26 -1.46 107.32 103.06 1ddm s GLY 159 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 44.72 44.68 1ddm s GLY 159 CO 0.00 0.44 0.41 -1.36 0.00 0.00 0.00 173.10 172.60 1ddm s PHE 160 N 0.96 2.82 -0.06 1.90 0.08 -0.38 -3.43 117.98 119.86 1ddm s PHE 160 Ca -0.10 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.24 1ddm s PHE 160 Cb -0.14 -2.12 0.09 0.00 -0.57 0.00 0.00 43.02 40.27 1ddm s PHE 160 CO 0.00 -0.11 0.76 -1.12 -0.10 0.00 0.00 175.22 174.65 1ddm s SER 161 N -4.16 -0.57 0.03 1.36 0.01 -0.39 -2.16 113.70 107.82 1ddm s SER 161 Ca 0.48 0.57 0.04 0.00 1.31 0.00 0.00 55.95 58.35 1ddm s SER 161 Cb -0.06 0.48 -0.02 0.00 0.21 0.00 0.00 66.02 66.63 1ddm s SER 161 CO 0.29 -0.56 -0.11 -0.72 0.41 0.00 0.00 173.24 172.54 1ddm s TYR 162 N -1.39 1.00 -0.01 2.43 -0.85 -0.97 -2.65 117.35 114.90 1ddm s TYR 162 Ca -0.07 -0.34 0.01 0.00 -0.52 0.00 0.00 57.07 56.15 1ddm s TYR 162 Cb -0.00 -0.60 -0.04 0.00 0.38 0.00 0.00 41.96 41.70 1ddm s TYR 162 CO 0.06 0.00 0.01 0.42 -1.52 0.00 0.00 175.55 174.52 1ddm s ILE 163 N -0.84 4.22 -0.23 -3.49 1.01 -1.26 -1.58 121.20 119.04 1ddm s ILE 163 Ca -0.01 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 59.95 1ddm s ILE 163 Cb -0.07 -2.88 0.07 0.00 0.01 0.00 0.00 42.46 39.58 1ddm s ILE 163 CO 0.01 0.39 0.56 0.00 0.00 0.00 0.00 174.94 175.89 1ddm n ARG 165 N 4.22 3.25 0.00 0.00 1.74 -1.26 -2.25 116.66 122.35 1ddm n ARG 165 Ca -0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 1ddm n ARG 165 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 1ddm n ARG 165 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ddm n ASP 166 N 0.00 -0.94 0.00 0.55 8.00 -1.00 -4.25 116.55 118.91 1ddm n ASP 166 Ca 0.00 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1ddm n ASP 166 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 1.29 1.06 0.00 0.44 0.00 -1.26 -4.49 105.19 102.23 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 -0.01 2.61 5.66 -1.26 -4.92 114.28 114.35 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 -1.42 1.09 -1.04 -1.26 -5.00 114.28 106.64 1ddm n THR 169 Ca 0.00 -0.26 -0.15 0.00 -2.04 0.00 0.00 64.05 61.61 1ddm n THR 169 Cb 0.02 1.01 -0.06 0.00 -1.82 0.00 0.00 70.33 69.48 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 -0.50 -1.51 -3.78 -2.82 1.74 -1.26 -4.86 116.66 103.67 1ddm n ARG 170 Ca 0.00 1.01 0.02 0.00 -0.77 0.00 0.00 57.85 58.11 1ddm n ARG 170 Cb 0.00 -5.36 0.00 0.00 -1.02 0.00 0.00 32.46 26.08 1ddm n ARG 170 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1ddm s ARG 171 N -3.21 0.36 -0.46 5.56 1.70 -1.26 -4.83 118.95 116.81 1ddm s ARG 171 Ca 0.00 -0.22 -0.29 0.00 -0.47 0.00 0.00 55.73 54.76 1ddm s ARG 171 Cb 0.00 0.11 0.02 0.00 -0.57 0.00 0.00 34.95 34.51 1ddm s ARG 171 CO 0.00 -0.17 1.28 1.67 -1.08 0.00 0.00 175.30 177.00 1ddm s TRP 172 N -2.20 2.59 0.07 5.89 -2.14 -1.26 -2.37 118.94 119.51 1ddm s TRP 172 Ca 0.21 0.67 0.00 0.00 2.66 0.00 0.00 56.10 59.64 1ddm s TRP 172 Cb 0.03 -4.39 -0.04 0.00 -3.10 0.00 0.00 33.47 25.97 1ddm s TRP 172 CO -0.03 -1.65 -0.05 -1.64 -2.66 0.00 0.00 176.95 170.93 1ddm s MET 173 N 4.76 0.70 -0.01 3.25 -1.94 -0.95 -3.02 119.30 122.09 1ddm s MET 173 Ca 0.54 -1.25 0.04 0.00 -1.71 0.00 0.00 55.69 53.31 1ddm s MET 173 Cb -0.10 0.02 -0.01 0.00 2.01 0.00 0.00 34.83 36.75 1ddm s MET 173 CO 0.32 -0.07 -0.14 0.00 -0.01 0.00 0.00 175.02 175.13 1ddm s HIS 175 N -0.26 3.35 0.09 0.00 0.09 -0.61 -1.54 115.29 116.41 1ddm s HIS 175 Ca 0.04 0.28 0.07 0.00 -0.00 0.00 0.00 55.06 55.45 1ddm s HIS 175 Cb -0.06 -1.79 -0.03 0.00 -0.00 0.00 0.00 32.58 30.69 1ddm s HIS 175 CO -0.00 0.58 -0.19 0.20 -0.00 0.00 0.00 174.74 175.33 1ddm s GLY 176 N -1.48 1.14 -0.28 -2.22 0.00 -1.15 -2.30 107.32 101.02 1ddm s GLY 176 Ca 0.20 -1.18 -0.24 0.00 0.00 0.00 0.00 44.72 43.50 1ddm s GLY 176 CO 0.11 -1.18 0.97 -0.11 0.00 0.00 0.00 173.10 172.88 1ddm s PHE 177 N -1.18 -0.54 0.47 1.90 -0.71 -0.92 -2.35 117.98 114.64 1ddm s PHE 177 Ca 0.04 1.31 0.08 0.00 -1.04 0.00 0.00 56.93 57.32 1ddm s PHE 177 Cb -0.10 0.35 0.08 0.00 -1.21 0.00 0.00 43.02 42.14 1ddm s PHE 177 CO 0.04 -0.26 0.64 1.28 -1.34 0.00 0.00 175.22 175.58 1ddm n LEU 178 N 2.40 0.00 -4.46 -1.99 4.77 -1.07 -1.25 117.00 115.39 1ddm n LEU 178 Ca -0.13 -2.03 -0.33 0.00 -0.03 0.00 0.00 56.01 53.49 1ddm n LEU 178 Cb 0.56 -0.34 -0.13 0.00 -2.33 0.00 0.00 43.42 41.18 1ddm n LEU 178 CO 0.02 -0.67 -0.38 0.00 -1.33 0.00 0.00 177.39 175.03 1ddm s ALA 179 N -2.56 2.89 -2.00 -1.18 0.00 -0.54 -0.77 121.76 117.60 1ddm s ALA 179 Ca 0.49 -0.84 0.23 0.00 0.00 0.00 0.00 51.96 51.84 1ddm s ALA 179 Cb -0.04 -1.46 1.37 0.00 0.00 0.00 0.00 23.12 23.00 1ddm s ALA 179 CO 0.31 0.23 1.79 0.00 0.00 0.00 0.00 175.76 178.08 1ddm n LYS 181 N -0.94 0.67 -2.99 0.00 4.76 -1.26 -5.01 118.16 113.40 1ddm n LYS 181 Ca 0.17 -0.12 -0.14 0.00 -2.87 0.00 0.00 58.31 55.35 1ddm n LYS 181 Cb 0.08 -1.52 0.02 0.00 -1.84 0.00 0.00 35.03 31.76 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 -7.46 0.17 4.39 9.92 -1.08 -4.94 116.55 115.10 1ddm n ASP 182 Ca -0.15 0.38 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1ddm n ASP 182 Cb 0.79 -4.64 0.00 0.00 -0.64 0.00 0.00 41.12 36.63 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 -0.31 -2.99 -0.01 -2.24 2.88 -1.26 -5.05 113.62 104.64 1ddm n SER 183 Ca 0.07 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1ddm n SER 183 Cb 0.51 2.91 0.00 0.00 -0.75 0.00 0.00 64.21 66.88 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 -1.35 1.70 0.00 0.46 0.00 -1.26 -4.85 105.19 99.89 1ddm n GLY 184 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ddm n GLY 184 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ddm n GLU 185 N -0.79 0.00 0.00 1.61 0.28 -1.26 -3.94 120.64 116.54 1ddm n GLU 185 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.10 1ddm n GLU 185 Cb 0.03 -0.45 0.51 0.00 1.43 0.00 0.00 31.44 32.95 1ddm n GLU 185 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ddm n ARG 186 N -0.74 0.27 0.00 3.44 5.12 -1.26 -3.39 116.66 120.10 1ddm n ARG 186 Ca 0.00 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1ddm n ARG 186 Cb 0.00 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 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 -0.00 0.43 0.55 4.32 -1.26 -3.98 117.00 115.76 1ddm n LEU 187 Ca 0.09 0.01 -0.17 0.00 -0.02 0.00 0.00 56.01 55.93 1ddm n LEU 187 Cb 0.17 0.01 -0.08 0.00 -1.62 0.00 0.00 43.42 41.90 1ddm n LEU 187 CO 0.16 -0.49 0.48 -1.28 -1.22 0.00 0.00 177.39 175.04 1ddm h SER 188 N 0.00 -0.94 -0.93 -1.43 0.87 -1.77 -0.93 113.55 108.42 1ddm h SER 188 Ca 0.00 0.03 0.18 0.00 -1.23 0.00 0.00 61.79 60.77 1ddm h SER 188 Cb 0.04 0.24 -0.08 0.00 -0.44 0.00 0.00 62.40 62.16 1ddm h SER 188 CO 0.00 -0.63 0.60 -0.74 -0.53 0.00 0.00 176.83 175.53 1ddm h HIS 189 N -1.21 0.80 -0.53 2.24 2.76 -1.68 0.37 115.15 117.90 1ddm h HIS 189 Ca -0.11 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.00 1ddm h HIS 189 Cb 0.85 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 1ddm h HIS 189 CO 0.02 0.24 0.03 0.00 -1.30 0.00 0.00 177.93 176.92 1ddm h ALA 190 N 1.61 0.71 -0.20 5.26 0.00 -1.59 -2.68 119.26 122.37 1ddm h ALA 190 Ca 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1ddm h ALA 190 Cb 0.92 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ddm h ALA 190 CO -0.24 0.49 0.01 0.28 0.00 0.00 0.00 179.25 179.79 1ddm h VAL 191 N 0.78 1.12 -0.00 0.00 2.07 0.48 -1.71 116.25 118.99 1ddm h VAL 191 Ca 0.15 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1ddm h VAL 191 Cb 0.48 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1ddm h VAL 191 CO 0.02 0.16 0.04 1.23 0.02 0.00 0.00 177.57 179.03 1ddm h GLY 192 N 0.54 0.00 0.48 2.17 0.00 -0.96 0.41 103.07 105.71 1ddm h GLY 192 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ddm h GLY 192 CO 0.00 0.00 -1.17 0.00 0.00 0.00 0.00 176.54 175.37 1ddm h ALA 194 N 2.46 1.69 -0.19 0.00 0.00 -0.86 -2.60 119.26 119.76 1ddm h ALA 194 Ca 0.00 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.55 1ddm h ALA 194 Cb 0.77 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ddm h ALA 194 CO 0.00 0.23 -0.71 0.74 0.00 0.00 0.00 179.25 179.51 1ddm h PHE 195 N 0.10 1.08 -0.05 0.00 0.04 -1.72 -2.60 116.94 113.79 1ddm h PHE 195 Ca 0.02 -0.45 0.02 0.00 2.80 0.00 0.00 57.97 60.35 1ddm h PHE 195 Cb 0.27 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 1ddm h PHE 195 CO 0.00 1.29 0.26 0.00 -0.60 0.00 0.00 178.31 179.26 1ddm h ALA 196 N 0.58 1.38 0.00 2.45 0.00 -1.67 0.21 119.26 122.22 1ddm h ALA 196 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ddm h ALA 196 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1ddm h ALA 196 CO 0.15 -0.29 -1.01 0.28 0.00 0.00 0.00 179.25 178.38 1ddm n VAL 197 N -3.09 0.00 0.11 0.00 0.31 -1.16 -4.38 118.33 110.12 1ddm n VAL 197 Ca -0.01 -0.20 -0.01 0.00 -0.01 0.00 0.00 64.34 64.11 1ddm n VAL 197 Cb 0.33 0.75 -0.01 0.00 -0.91 0.00 0.00 33.84 34.01 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 -3.30 7.08 -0.37 0.00 -0.00 -0.96 -4.63 117.00 114.82 1ddm n LEU 199 Ca 0.01 -4.03 0.03 0.00 -0.00 0.00 0.00 56.01 52.02 1ddm n LEU 199 Cb 0.80 -0.89 0.18 0.00 -0.00 0.00 0.00 43.42 43.51 1ddm n LEU 199 CO 0.43 1.33 1.26 -0.08 -0.00 0.00 0.00 177.39 180.33 1ddm h GLU 200 N 1.59 1.14 -0.01 1.47 4.81 -1.79 -3.51 114.58 118.28 1ddm h GLU 200 Ca 0.59 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 1ddm h GLU 200 Cb 1.65 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.78 1ddm h GLU 200 CO 1.33 0.75 0.00 -2.13 -0.73 0.00 0.00 179.01 178.23