#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 0.09 1.57 7.27 -1.26 -4.93 117.38 120.11 1ddm n GLN 68 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.04 1ddm n GLN 68 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 1ddm n GLN 68 CO 0.00 0.00 0.00 -1.49 0.07 0.00 0.00 177.06 175.64 1ddm h TRP 69 N 0.00 0.00 0.00 3.69 4.06 -2.03 -2.15 115.95 119.52 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 0.78 0.00 1.04 -3.56 0.00 0.00 178.44 176.70 1ddm n GLN 70 N -3.27 0.04 -0.03 0.49 6.02 -1.26 -2.31 117.38 117.06 1ddm n GLN 70 Ca -0.00 0.30 -0.02 0.00 -0.01 0.00 0.00 57.00 57.27 1ddm n GLN 70 Cb 0.86 -1.59 -0.07 0.00 1.02 0.00 0.00 30.24 30.46 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 -1.56 1.94 0.18 -1.58 0.00 -1.19 -4.53 120.51 113.77 1ddm n ALA 71 Ca 0.03 -0.48 0.03 0.00 0.00 0.00 0.00 53.44 53.02 1ddm n ALA 71 Cb 0.17 -0.04 0.33 0.00 0.00 0.00 0.00 19.45 19.91 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 0.35 0.00 3.32 -1.13 -2.38 116.42 116.57 1ddm h ASP 72 Ca -0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1ddm h ASP 72 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1ddm h ASP 72 CO 0.01 0.42 0.00 -0.08 -1.72 0.00 0.00 179.24 177.87 1ddm h GLU 73 N 0.00 0.00 0.00 3.56 4.57 -1.70 -1.22 114.58 119.79 1ddm h GLU 73 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ddm h GLU 73 Cb 0.83 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1ddm h GLU 73 CO 0.05 0.00 -1.34 0.39 -1.18 0.00 0.00 179.01 176.93 1ddm n GLU 74 N -2.46 1.02 -0.19 1.92 1.02 -0.93 -4.50 120.64 116.53 1ddm n GLU 74 Ca -0.00 -0.09 -0.01 0.00 -0.02 0.00 0.00 57.16 57.04 1ddm n GLU 74 Cb 0.13 -1.32 0.09 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.76 0.76 -0.33 0.62 0.00 -0.88 -1.20 119.26 119.98 1ddm h ALA 75 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ddm h ALA 75 Cb 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ddm h ALA 75 CO 0.00 -0.16 0.08 0.28 0.00 0.00 0.00 179.25 179.46 1ddm h VAL 76 N 0.44 1.22 -0.66 0.00 2.07 -1.75 -2.07 116.25 115.50 1ddm h VAL 76 Ca 0.29 -0.74 0.16 0.00 0.82 0.00 0.00 66.70 67.23 1ddm h VAL 76 Cb 0.31 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1ddm h VAL 76 CO -0.26 0.25 0.46 0.03 0.02 0.00 0.00 177.57 178.06 1ddm h ARG 77 N 0.38 0.18 0.00 1.57 3.08 -1.60 -2.64 114.38 115.35 1ddm h ARG 77 Ca 0.11 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ddm h ARG 77 Cb 0.29 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ddm h ARG 77 CO 0.00 0.12 0.00 0.43 -1.07 0.00 0.00 179.97 179.45 1ddm n SER 78 N -4.41 0.00 0.00 7.04 7.64 -0.52 -4.87 113.62 118.49 1ddm n SER 78 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1ddm n SER 78 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -3.15 -0.43 0.00 -0.83 -4.63 120.51 108.47 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 -0.28 0.00 0.00 -1.32 -0.96 -4.51 115.64 108.57 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 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.62 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 -1.24 -0.93 0.00 2.88 -1.26 -2.68 113.62 110.39 1ddm n SER 82 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddm n SER 82 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.91 -1.54 0.66 3.72 -0.99 -4.89 117.46 113.51 1ddm n PHE 83 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 1ddm n PHE 83 Cb 0.00 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.99 0.15 -1.94 4.37 2.88 -1.26 -1.65 113.62 115.17 1ddm n SER 84 Ca 0.00 0.88 -0.08 0.00 -1.33 0.00 0.00 58.87 58.34 1ddm n SER 84 Cb 0.00 -1.27 -0.03 0.00 -0.75 0.00 0.00 64.21 62.16 1ddm n SER 84 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1ddm n VAL 85 N -1.15 0.00 -3.11 2.46 0.24 -0.36 -2.62 118.33 113.79 1ddm n VAL 85 Ca 0.11 -1.02 -0.21 0.00 -2.04 0.00 0.00 64.34 61.19 1ddm n VAL 85 Cb 0.43 0.52 -0.05 0.00 -1.47 0.00 0.00 33.84 33.27 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 -0.27 0.70 -1.53 7.34 4.76 -0.68 -3.59 118.16 124.89 1ddm n LYS 86 Ca 0.03 -2.92 -0.38 0.00 -2.87 0.00 0.00 58.31 52.18 1ddm n LYS 86 Cb 0.26 -1.28 -0.08 0.00 -1.84 0.00 0.00 35.03 32.08 1ddm n LYS 86 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1ddm n TYR 87 N 1.54 1.08 0.78 2.13 9.36 -1.18 -3.42 117.16 127.46 1ddm n TYR 87 Ca 0.19 0.22 0.08 0.00 3.32 0.00 0.00 57.90 61.72 1ddm n TYR 87 Cb 0.55 -2.53 0.42 0.00 -0.63 0.00 0.00 39.34 37.15 1ddm n TYR 87 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1ddm n LEU 88 N 13.81 0.00 0.00 2.98 4.77 -0.99 -1.87 117.00 135.69 1ddm n LEU 88 Ca 0.49 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 1ddm n LEU 88 Cb 0.34 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1ddm n LEU 88 CO 0.80 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1ddm n GLY 89 N 0.19 -0.11 3.22 -0.72 0.00 -1.23 -2.08 105.19 104.46 1ddm n GLY 89 Ca 0.08 -2.24 -0.25 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.77 1.17 0.42 0.00 -7.23 -0.58 -4.98 120.40 108.43 1ddm s VAL 91 Ca 0.06 -2.06 -0.10 0.00 -1.81 0.00 0.00 61.98 58.07 1ddm s VAL 91 Cb -0.08 -2.03 -0.06 0.00 0.56 0.00 0.00 36.38 34.76 1ddm s VAL 91 CO 0.01 -0.59 0.78 -1.83 -0.31 0.00 0.00 175.10 173.16 1ddm s GLU 92 N -3.78 3.76 0.16 4.82 4.04 -1.26 -1.59 118.70 124.85 1ddm s GLU 92 Ca 0.21 0.46 -0.06 0.00 0.04 0.00 0.00 54.97 55.62 1ddm s GLU 92 Cb 0.03 -2.38 -0.02 0.00 0.02 0.00 0.00 34.13 31.79 1ddm s GLU 92 CO 0.04 -0.07 0.21 0.14 -1.84 0.00 0.00 175.26 173.74 1ddm s VAL 93 N -2.43 0.07 -0.42 1.83 -7.23 -1.24 -4.82 120.40 106.15 1ddm s VAL 93 Ca 0.51 -1.59 0.10 0.00 -1.81 0.00 0.00 61.98 59.19 1ddm s VAL 93 Cb -0.10 -1.97 0.35 0.00 0.56 0.00 0.00 36.38 35.22 1ddm s VAL 93 CO 0.33 -0.31 0.79 0.49 -0.31 0.00 0.00 175.10 176.09 1ddm n PHE 94 N -0.19 1.17 0.00 2.82 3.01 -1.26 -4.61 117.46 118.40 1ddm n PHE 94 Ca -0.06 -3.84 0.00 0.00 1.01 0.00 0.00 57.45 54.56 1ddm n PHE 94 Cb 0.63 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 1ddm n PHE 94 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1ddm n GLU 95 N 0.14 0.00 -3.86 -1.08 1.02 -1.26 -5.04 120.64 110.56 1ddm n GLU 95 Ca 0.26 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.12 1ddm n GLU 95 Cb 0.60 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 32.05 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 -2.26 -4.64 -3.41 1.62 7.64 -1.26 -4.96 113.62 106.35 1ddm n SER 96 Ca 0.00 -0.76 -0.13 0.00 1.01 0.00 0.00 58.87 58.99 1ddm n SER 96 Cb 0.00 -4.04 -0.10 0.00 -1.01 0.00 0.00 64.21 59.06 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 -6.52 0.29 0.00 1.43 1.70 -1.26 -5.08 118.95 109.50 1ddm s ARG 97 Ca 0.59 0.33 0.00 0.00 -0.47 0.00 0.00 55.73 56.18 1ddm s ARG 97 Cb -0.29 -0.77 0.00 0.00 -0.57 0.00 0.00 34.95 33.32 1ddm s ARG 97 CO 0.82 -0.70 0.00 0.41 -1.08 0.00 0.00 175.30 174.75 1ddm n GLY 98 N 5.34 0.14 0.00 3.88 0.00 -1.26 -4.82 105.19 108.47 1ddm n GLY 98 Ca -0.04 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 0.67 0.00 1.61 0.00 -1.26 -4.79 117.12 113.36 1ddm n MET 99 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.70 57.79 1ddm n MET 99 Cb 0.00 -0.54 0.55 0.00 0.00 0.00 0.00 33.22 33.23 1ddm n MET 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ddm n GLN 100 N -0.58 0.69 0.25 2.12 10.64 -1.26 -3.23 117.38 126.01 1ddm n GLN 100 Ca 0.00 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.26 1ddm n GLN 100 Cb 0.04 -1.42 0.62 0.00 -0.86 0.00 0.00 30.24 28.62 1ddm n GLN 100 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1ddm h VAL 101 N 0.00 0.90 0.00 -0.39 2.07 -1.87 -1.74 116.25 115.22 1ddm h VAL 101 Ca 0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1ddm h VAL 101 Cb 0.00 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1ddm h VAL 101 CO 0.00 0.12 -0.95 0.00 0.02 0.00 0.00 177.57 176.77 1ddm n GLU 103 N -2.37 0.11 -0.02 0.00 2.13 -0.66 -2.25 120.64 117.59 1ddm n GLU 103 Ca 0.01 0.21 -0.02 0.00 0.66 0.00 0.00 57.16 58.02 1ddm n GLU 103 Cb 0.50 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.69 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 -1.37 0.08 -0.32 5.31 -0.58 -1.24 -4.64 120.64 117.88 1ddm n GLU 104 Ca 0.05 0.02 -0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1ddm n GLU 104 Cb 0.12 -1.01 0.17 0.00 -0.57 0.00 0.00 31.44 30.16 1ddm n GLU 104 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ddm h ALA 105 N -0.02 1.37 -0.95 0.62 0.00 -1.54 -1.86 119.26 116.88 1ddm h ALA 105 Ca -0.08 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1ddm h ALA 105 Cb 1.11 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1ddm h ALA 105 CO -0.02 0.56 0.62 1.25 0.00 0.00 0.00 179.25 181.66 1ddm h LEU 106 N 1.21 0.99 -0.42 0.00 5.85 -1.73 -1.87 115.31 119.33 1ddm h LEU 106 Ca 0.35 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.91 1ddm h LEU 106 Cb -0.08 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 1ddm h LEU 106 CO -0.09 0.64 -0.46 0.50 -0.34 0.00 0.00 178.44 178.69 1ddm h LYS 107 N 1.12 0.81 -0.66 1.25 3.64 -1.62 -2.97 116.57 118.15 1ddm h LYS 107 Ca 0.40 -0.46 0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1ddm h LYS 107 Cb 0.14 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1ddm h LYS 107 CO -0.15 1.10 0.44 0.28 -2.27 0.00 0.00 179.45 178.84 1ddm h VAL 108 N 0.65 0.92 0.00 2.00 2.07 -0.74 0.13 116.25 121.27 1ddm h VAL 108 Ca 0.04 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 1ddm h VAL 108 Cb 1.04 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1ddm h VAL 108 CO 0.10 0.09 -0.50 -0.07 0.02 0.00 0.00 177.57 177.22 1ddm h LEU 109 N 0.52 0.00 -0.13 2.57 3.38 -1.30 -2.11 115.31 118.24 1ddm h LEU 109 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1ddm h LEU 109 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1ddm h LEU 109 CO -0.09 0.50 0.00 -1.14 0.09 0.00 0.00 178.44 177.79 1ddm n ARG 110 N -3.68 0.14 -0.01 1.13 0.00 0.39 -3.01 116.66 111.63 1ddm n ARG 110 Ca -0.01 0.19 0.10 0.00 -0.00 0.00 0.00 57.85 58.14 1ddm n ARG 110 Cb 0.56 -1.69 -0.15 0.00 0.00 0.00 0.00 32.46 31.18 1ddm n ARG 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1ddm n GLN 111 N -1.94 0.61 -4.54 -0.14 1.13 -0.86 -5.00 117.38 106.63 1ddm n GLN 111 Ca 0.05 -0.15 -0.28 0.00 -1.94 0.00 0.00 57.00 54.67 1ddm n GLN 111 Cb 0.34 -1.46 -0.09 0.00 0.11 0.00 0.00 30.24 29.13 1ddm n GLN 111 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1ddm s SER 112 N -4.06 4.04 -0.74 1.08 0.01 -0.84 -5.08 113.70 108.11 1ddm s SER 112 Ca -0.05 -1.37 0.03 0.00 1.31 0.00 0.00 55.95 55.87 1ddm s SER 112 Cb 0.13 -0.22 0.29 0.00 0.21 0.00 0.00 66.02 66.44 1ddm s SER 112 CO 0.82 -0.56 1.05 0.54 0.41 0.00 0.00 173.24 175.50 1ddm n ARG 113 N -1.09 3.40 0.00 12.44 5.12 -1.26 -4.82 116.66 130.45 1ddm n ARG 113 Ca -0.07 -4.71 0.00 0.00 -1.93 0.00 0.00 57.85 51.14 1ddm n ARG 113 Cb 0.67 -2.32 0.00 0.00 -1.16 0.00 0.00 32.46 29.64 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 0.51 0.00 -3.03 5.56 5.12 -1.25 -4.88 116.66 118.69 1ddm n ARG 114 Ca 0.31 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 56.08 1ddm n ARG 114 Cb 0.37 -0.32 -0.03 0.00 -1.16 0.00 0.00 32.46 31.32 1ddm n ARG 114 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1ddm n ARG 115 N 0.00 0.52 -2.29 5.56 0.63 -0.89 -4.97 116.66 115.23 1ddm n ARG 115 Ca 0.00 -2.55 -0.43 0.00 -0.92 0.00 0.00 57.85 53.96 1ddm n ARG 115 Cb 0.00 -1.47 -0.02 0.00 0.45 0.00 0.00 32.46 31.41 1ddm n ARG 115 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1ddm s PRO 116 N 0.16 3.45 -0.14 -0.14 0.04 -1.20 -3.47 135.00 133.71 1ddm s PRO 116 Ca 0.32 0.91 0.02 0.00 0.04 0.00 0.00 61.00 62.29 1ddm s PRO 116 Cb 0.10 -4.08 0.01 0.00 0.04 0.00 0.00 34.50 30.56 1ddm s PRO 116 CO -0.15 -1.73 -0.21 0.08 0.04 0.00 0.00 177.00 175.04 1ddm s VAL 117 N 5.92 2.18 -0.53 -0.36 1.01 -0.78 -4.97 120.40 122.86 1ddm s VAL 117 Ca 0.63 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 61.43 1ddm s VAL 117 Cb -0.14 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.40 1ddm s VAL 117 CO 0.31 0.54 0.88 -0.60 0.00 0.00 0.00 175.10 176.23 1ddm s ARG 118 N 0.73 3.32 0.07 2.72 3.00 -1.26 -3.07 118.95 124.46 1ddm s ARG 118 Ca -0.09 -0.31 -0.00 0.00 -1.00 0.00 0.00 55.73 54.33 1ddm s ARG 118 Cb -0.16 -4.04 0.00 0.00 0.00 0.00 0.00 34.95 30.75 1ddm s ARG 118 CO 0.00 -1.39 0.10 0.41 0.00 0.00 0.00 175.30 174.42 1ddm n GLY 119 N 5.10 2.95 3.86 8.12 0.00 -1.24 -2.34 105.19 121.64 1ddm n GLY 119 Ca 0.01 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 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 4.37 -0.19 0.99 1.98 -0.03 -1.23 118.68 124.56 1ddm s LEU 120 Ca 0.06 0.44 -0.05 0.00 -2.89 0.00 0.00 54.13 51.70 1ddm s LEU 120 Cb -0.00 -2.07 -0.02 0.00 0.66 0.00 0.00 46.19 44.75 1ddm s LEU 120 CO 0.04 0.38 -0.01 -0.22 -1.89 0.00 0.00 176.35 174.66 1ddm s LEU 121 N -0.88 3.24 -0.45 -0.68 2.96 -0.66 -2.14 118.68 120.07 1ddm s LEU 121 Ca 0.14 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1ddm s LEU 121 Cb -0.12 -1.81 0.12 0.00 0.50 0.00 0.00 46.19 44.88 1ddm s LEU 121 CO 0.03 0.08 0.20 -1.00 -1.32 0.00 0.00 176.35 174.34 1ddm s HIS 122 N 0.90 3.51 -0.75 5.38 3.76 -0.47 -2.34 115.29 125.28 1ddm s HIS 122 Ca 0.01 -2.92 -0.26 0.00 -0.15 0.00 0.00 55.06 51.74 1ddm s HIS 122 Cb -0.14 -2.99 -0.06 0.00 1.11 0.00 0.00 32.58 30.50 1ddm s HIS 122 CO 0.02 -0.87 2.05 0.08 -0.85 0.00 0.00 174.74 175.16 1ddm s VAL 123 N 0.44 3.30 0.08 -0.90 1.01 -1.09 -2.79 120.40 120.44 1ddm s VAL 123 Ca 0.13 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 1ddm s VAL 123 Cb -0.22 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1ddm s VAL 123 CO -0.04 -0.68 0.47 -0.94 0.00 0.00 0.00 175.10 173.91 1ddm s SER 124 N 9.01 6.80 -0.00 3.32 1.04 -1.26 -2.27 113.70 130.33 1ddm s SER 124 Ca 0.76 0.99 -0.00 0.00 0.48 0.00 0.00 55.95 58.18 1ddm s SER 124 Cb -0.11 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1ddm s SER 124 CO 0.10 0.21 1.77 0.61 0.98 0.00 0.00 173.24 176.91 1ddm n GLY 125 N 1.23 2.40 0.29 7.32 0.00 -0.99 -2.91 105.19 112.52 1ddm n GLY 125 Ca -0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ddm n GLY 125 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ddm n ASP 126 N 1.25 -0.01 0.00 1.61 2.03 -1.26 -4.28 116.55 115.89 1ddm n ASP 126 Ca 0.00 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.74 1ddm n ASP 126 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 2.34 3.74 0.27 0.00 -1.15 -4.79 105.19 105.60 1ddm n GLY 127 Ca -0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 4.36 0.07 0.99 1.43 -1.24 -4.34 118.68 119.94 1ddm s LEU 128 Ca 0.00 2.88 0.09 0.00 -1.03 0.00 0.00 54.13 56.07 1ddm s LEU 128 Cb 0.00 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1ddm s LEU 128 CO 0.00 -0.92 -0.24 -0.60 0.23 0.00 0.00 176.35 174.82 1ddm s ARG 129 N 0.26 1.48 -0.33 1.70 6.06 -1.12 -3.64 118.95 123.37 1ddm s ARG 129 Ca 0.68 -1.13 -0.01 0.00 -2.50 0.00 0.00 55.73 52.77 1ddm s ARG 129 Cb -0.48 -1.73 0.11 0.00 0.06 0.00 0.00 34.95 32.91 1ddm s ARG 129 CO 0.40 0.43 0.13 0.08 -2.50 0.00 0.00 175.30 173.84 1ddm s VAL 130 N -0.92 0.74 -0.23 7.11 1.01 -0.99 -1.37 120.40 125.74 1ddm s VAL 130 Ca 0.10 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 60.49 1ddm s VAL 130 Cb -0.10 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1ddm s VAL 130 CO 0.03 -0.74 0.24 -0.69 0.00 0.00 0.00 175.10 173.95 1ddm s VAL 131 N 1.50 5.30 0.95 2.92 1.01 -0.91 -1.41 120.40 129.76 1ddm s VAL 131 Ca 0.11 0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 1ddm s VAL 131 Cb -0.18 -3.58 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1ddm s VAL 131 CO -0.22 0.31 0.52 -0.67 0.00 0.00 0.00 175.10 175.03 1ddm n ASP 132 N 4.40 -1.71 -0.79 3.32 2.03 -1.26 -0.86 116.55 121.68 1ddm n ASP 132 Ca -0.13 0.32 0.12 0.00 0.52 0.00 0.00 54.79 55.63 1ddm n ASP 132 Cb 0.52 -1.24 0.09 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 -1.83 2.63 0.00 1.67 -0.08 -0.99 -3.09 116.55 114.86 1ddm n ASP 133 Ca 0.07 -1.82 0.00 0.00 -1.51 0.00 0.00 54.79 51.53 1ddm n ASP 133 Cb 0.54 0.15 0.00 0.00 2.34 0.00 0.00 41.12 44.14 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 0.87 0.00 0.06 -0.67 1.02 -1.26 -4.78 120.64 115.88 1ddm n GLU 134 Ca 0.13 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.32 1ddm n GLU 134 Cb 0.55 -0.72 -0.05 0.00 -0.02 0.00 0.00 31.44 31.20 1ddm n GLU 134 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ddm n THR 135 N -2.52 0.92 -2.06 2.62 -1.04 -1.26 -4.94 114.28 105.99 1ddm n THR 135 Ca 0.00 -0.63 -0.11 0.00 -2.04 0.00 0.00 64.05 61.27 1ddm n THR 135 Cb 0.40 -0.55 -0.02 0.00 -1.82 0.00 0.00 70.33 68.34 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 -2.78 -1.93 0.00 -2.82 4.76 -1.18 -4.89 118.16 109.31 1ddm n LYS 136 Ca -0.06 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 1ddm n LYS 136 Cb 0.71 -5.04 0.00 0.00 -1.84 0.00 0.00 35.03 28.86 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 -0.58 1.41 3.49 0.72 0.00 -1.26 -4.76 105.19 104.21 1ddm n GLY 137 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.23 -0.20 0.99 2.96 -1.26 -4.62 118.68 115.33 1ddm s LEU 138 Ca 0.00 1.35 -0.16 0.00 -0.22 0.00 0.00 54.13 55.10 1ddm s LEU 138 Cb 0.00 2.26 -0.08 0.00 0.50 0.00 0.00 46.19 48.87 1ddm s LEU 138 CO 0.00 -0.23 -0.24 -0.38 -1.32 0.00 0.00 176.35 174.17 1ddm n ILE 139 N 5.44 1.49 -3.93 6.68 2.08 -0.50 -4.94 119.36 125.68 1ddm n ILE 139 Ca -0.08 0.01 -0.29 0.00 0.56 0.00 0.00 62.75 62.95 1ddm n ILE 139 Cb 0.50 -2.21 -0.16 0.00 -0.75 0.00 0.00 39.64 37.01 1ddm n ILE 139 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1ddm s VAL 140 N -2.60 1.25 -0.45 1.39 1.01 -1.23 -5.00 120.40 114.77 1ddm s VAL 140 Ca -0.28 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1ddm s VAL 140 Cb 0.06 -1.35 0.46 0.00 0.00 0.00 0.00 36.38 35.55 1ddm s VAL 140 CO 0.42 0.21 1.54 -0.90 0.00 0.00 0.00 175.10 176.37 1ddm n ASP 141 N 4.84 6.07 -2.30 3.32 5.75 -1.26 -2.36 116.55 130.62 1ddm n ASP 141 Ca -0.13 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 50.88 1ddm n ASP 141 Cb 0.48 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1ddm n ASP 141 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ddm n GLN 142 N -0.80 -0.08 -3.88 0.11 1.13 -1.24 -5.00 117.38 107.62 1ddm n GLN 142 Ca 0.52 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.49 1ddm n GLN 142 Cb 0.84 0.00 -0.08 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 -0.84 0.14 0.25 5.09 2.01 -1.26 -3.70 115.64 117.33 1ddm s THR 143 Ca 0.00 -1.16 -0.00 0.00 0.31 0.00 0.00 61.69 60.84 1ddm s THR 143 Cb 0.00 -1.22 0.05 0.00 0.01 0.00 0.00 72.50 71.34 1ddm s THR 143 CO 0.00 -0.64 1.68 0.40 -0.69 0.00 0.00 174.62 175.37 1ddm h ILE 144 N 3.03 1.27 0.00 1.82 2.04 -1.90 -1.36 117.51 122.41 1ddm h ILE 144 Ca -0.33 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.21 1ddm h ILE 144 Cb 1.19 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1ddm h ILE 144 CO 0.55 0.42 -0.03 -1.84 0.00 0.00 0.00 178.15 177.25 1ddm n GLU 145 N -4.11 0.06 -0.00 2.37 0.28 -1.26 -3.59 120.64 114.38 1ddm n GLU 145 Ca -0.00 0.04 -0.21 0.00 -0.16 0.00 0.00 57.16 56.83 1ddm n GLU 145 Cb 0.42 -1.56 -0.14 0.00 1.43 0.00 0.00 31.44 31.59 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 -1.66 0.75 -1.94 3.44 4.81 -0.89 -4.88 118.16 117.79 1ddm n LYS 146 Ca 0.07 0.28 -0.42 0.00 -0.87 0.00 0.00 58.31 57.36 1ddm n LYS 146 Cb 0.36 -1.71 -0.03 0.00 0.02 0.00 0.00 35.03 33.68 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 -2.55 3.00 0.00 3.15 -7.23 -0.57 -4.71 120.40 111.50 1ddm s VAL 147 Ca -0.23 0.50 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 1ddm s VAL 147 Cb 0.07 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.69 1ddm s VAL 147 CO 0.75 0.00 0.84 -0.24 -0.31 0.00 0.00 175.10 176.15 1ddm n SER 148 N 5.36 0.00 -3.69 4.85 2.88 0.61 -4.73 113.62 118.90 1ddm n SER 148 Ca 0.15 0.84 -0.13 0.00 -1.33 0.00 0.00 58.87 58.40 1ddm n SER 148 Cb 0.40 -0.34 -0.13 0.00 -0.75 0.00 0.00 64.21 63.39 1ddm n SER 148 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1ddm s PHE 149 N -2.35 -0.36 0.84 0.66 -0.12 -1.26 -5.04 117.98 110.35 1ddm s PHE 149 Ca 0.00 0.86 -0.10 0.00 -0.05 0.00 0.00 56.93 57.64 1ddm s PHE 149 Cb 0.00 -0.02 0.10 0.00 -0.63 0.00 0.00 43.02 42.47 1ddm s PHE 149 CO 0.00 -0.29 1.12 0.00 -0.05 0.00 0.00 175.22 175.99 1ddm s ALA 151 N -2.78 -3.24 -2.00 0.00 0.00 -1.21 -4.95 121.76 107.58 1ddm s ALA 151 Ca 0.64 1.49 0.00 0.00 0.00 0.00 0.00 51.96 54.09 1ddm s ALA 151 Cb -0.20 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.46 1ddm s ALA 151 CO 0.57 -1.52 0.93 -0.35 0.00 0.00 0.00 175.76 175.39 1ddm n PRO 152 N 5.43 0.92 0.00 0.00 -0.04 -1.26 -2.40 135.00 137.64 1ddm n PRO 152 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1ddm n PRO 152 Cb 0.54 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.50 0.00 0.00 3.54 8.00 -1.26 -4.37 116.55 121.96 1ddm n ASP 153 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ddm n ASP 153 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ddm n ASP 153 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1ddm n ARG 154 N 0.44 0.00 0.00 -1.24 1.85 -1.26 -5.06 116.66 111.38 1ddm n ARG 154 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1ddm n ARG 154 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 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 0.00 0.00 0.00 2.89 4.05 -1.26 -3.95 115.26 116.99 1ddm n ASN 155 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1ddm n ASN 155 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 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 0.00 0.00 1.82 1.20 -0.00 -1.26 -4.98 115.22 112.00 1ddm n HIS 156 Ca 0.00 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.31 1ddm n HIS 156 Cb 0.00 0.00 0.67 0.00 -0.12 0.00 0.00 29.99 30.54 1ddm n HIS 156 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1ddm n GLU 157 N 0.00 1.20 -3.54 1.57 1.02 -1.25 -4.90 120.64 114.74 1ddm n GLU 157 Ca 0.00 -0.29 -0.26 0.00 -0.02 0.00 0.00 57.16 56.59 1ddm n GLU 157 Cb 0.00 -1.41 0.04 0.00 -0.02 0.00 0.00 31.44 30.05 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 -0.58 -5.63 -4.17 3.49 3.00 -1.26 -4.73 116.66 106.79 1ddm n ARG 158 Ca 0.19 0.71 -0.33 0.00 -0.01 0.00 0.00 57.85 58.41 1ddm n ARG 158 Cb 0.16 -5.61 -0.08 0.00 0.00 0.00 0.00 32.46 26.94 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 -3.06 1.96 0.08 -0.13 0.00 -1.26 -2.81 107.32 102.10 1ddm s GLY 159 Ca 0.52 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 44.40 1ddm s GLY 159 CO 0.64 -0.75 -0.13 -1.36 0.00 0.00 0.00 173.10 171.50 1ddm s PHE 160 N -1.13 1.16 -0.00 1.90 0.08 -0.69 -4.14 117.98 115.16 1ddm s PHE 160 Ca 0.21 -0.49 -0.21 0.00 0.12 0.00 0.00 56.93 56.55 1ddm s PHE 160 Cb -0.12 -0.65 0.04 0.00 -0.57 0.00 0.00 43.02 41.73 1ddm s PHE 160 CO 0.12 0.04 0.47 -1.12 -0.10 0.00 0.00 175.22 174.63 1ddm s SER 161 N -1.86 -0.38 0.24 1.36 0.01 -1.01 -1.79 113.70 110.27 1ddm s SER 161 Ca -0.01 0.26 0.06 0.00 1.31 0.00 0.00 55.95 57.57 1ddm s SER 161 Cb -0.09 0.43 -0.05 0.00 0.21 0.00 0.00 66.02 66.52 1ddm s SER 161 CO 0.02 -0.59 -0.08 -0.72 0.41 0.00 0.00 173.24 172.28 1ddm s TYR 162 N -1.73 1.78 0.27 2.43 -0.85 -0.85 -3.33 117.35 115.07 1ddm s TYR 162 Ca -0.10 -0.69 0.10 0.00 -0.52 0.00 0.00 57.07 55.86 1ddm s TYR 162 Cb -0.02 -0.95 -0.05 0.00 0.38 0.00 0.00 41.96 41.32 1ddm s TYR 162 CO 0.03 0.25 -0.15 0.42 -1.52 0.00 0.00 175.55 174.59 1ddm s ILE 163 N -3.07 2.16 -0.25 -3.49 1.01 -1.26 -1.14 121.20 115.16 1ddm s ILE 163 Ca 0.26 -2.29 -0.08 0.00 0.00 0.00 0.00 60.65 58.54 1ddm s ILE 163 Cb 0.02 -2.32 0.12 0.00 0.01 0.00 0.00 42.46 40.29 1ddm s ILE 163 CO 0.09 -0.40 0.53 0.00 0.00 0.00 0.00 174.94 175.16 1ddm s ARG 165 N 2.75 4.03 1.96 0.00 1.70 -1.26 -3.33 118.95 124.79 1ddm s ARG 165 Ca -0.02 0.45 0.00 0.00 -0.47 0.00 0.00 55.73 55.70 1ddm s ARG 165 Cb -0.12 -3.68 0.00 0.00 -0.57 0.00 0.00 34.95 30.58 1ddm s ARG 165 CO -0.16 -0.47 0.00 -0.25 -1.08 0.00 0.00 175.30 173.34 1ddm n ASP 166 N 5.78 -0.33 0.00 -2.89 9.92 -0.17 -4.82 116.55 124.04 1ddm n ASP 166 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1ddm n ASP 166 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1ddm n ASP 166 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ddm n GLY 167 N 0.00 2.55 0.00 0.44 0.00 -1.26 -3.82 105.19 103.11 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 -1.30 0.00 0.00 0.00 173.32 172.02 1ddm n THR 168 N -0.04 0.00 0.00 2.61 -2.24 -1.26 -4.91 114.28 108.44 1ddm n THR 168 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ddm n THR 168 Cb 0.00 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1ddm n THR 168 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ddm n THR 169 N 0.00 0.00 -1.77 4.28 -1.04 -1.25 -5.02 114.28 109.48 1ddm n THR 169 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1ddm n THR 169 Cb 0.22 0.20 -0.04 0.00 -1.82 0.00 0.00 70.33 68.89 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 -0.87 -1.05 -3.09 -2.82 1.74 -1.26 -4.87 116.66 104.43 1ddm n ARG 170 Ca 0.00 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 1ddm n ARG 170 Cb 0.03 -5.06 0.00 0.00 -1.02 0.00 0.00 32.46 26.41 1ddm n ARG 170 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1ddm n ARG 171 N -2.50 -2.47 -2.04 5.56 1.85 -1.26 -4.80 116.66 111.01 1ddm n ARG 171 Ca -0.15 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.28 1ddm n ARG 171 Cb 0.54 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.92 1ddm n ARG 171 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1ddm s TRP 172 N -2.31 3.10 -0.29 2.89 0.52 -1.26 -0.99 118.94 120.59 1ddm s TRP 172 Ca 0.00 0.90 -0.14 0.00 0.02 0.00 0.00 56.10 56.88 1ddm s TRP 172 Cb 0.00 -3.81 0.12 0.00 -1.15 0.00 0.00 33.47 28.64 1ddm s TRP 172 CO 0.00 -2.78 0.77 -1.64 0.02 0.00 0.00 176.95 173.32 1ddm s MET 173 N 0.45 0.54 -0.03 4.98 -1.94 -1.21 -3.71 119.30 118.38 1ddm s MET 173 Ca 0.64 1.14 0.05 0.00 -1.71 0.00 0.00 55.69 55.81 1ddm s MET 173 Cb -0.41 0.46 -0.03 0.00 2.01 0.00 0.00 34.83 36.87 1ddm s MET 173 CO 0.36 -0.15 -0.18 0.00 -0.01 0.00 0.00 175.02 175.05 1ddm s HIS 175 N -0.74 3.04 0.10 0.00 0.09 -0.29 -1.53 115.29 115.97 1ddm s HIS 175 Ca 0.12 0.05 0.06 0.00 -0.00 0.00 0.00 55.06 55.29 1ddm s HIS 175 Cb -0.10 -1.64 -0.03 0.00 -0.00 0.00 0.00 32.58 30.80 1ddm s HIS 175 CO 0.01 0.45 -0.14 0.20 -0.00 0.00 0.00 174.74 175.26 1ddm s GLY 176 N -1.66 1.01 0.04 -2.22 0.00 -1.07 -2.00 107.32 101.43 1ddm s GLY 176 Ca 0.20 -1.20 -0.23 0.00 0.00 0.00 0.00 44.72 43.50 1ddm s GLY 176 CO 0.11 -1.24 0.53 -0.11 0.00 0.00 0.00 173.10 172.39 1ddm s PHE 177 N -1.81 -0.43 0.23 1.90 -0.71 -0.74 -2.35 117.98 114.07 1ddm s PHE 177 Ca 0.05 0.51 0.09 0.00 -1.04 0.00 0.00 56.93 56.54 1ddm s PHE 177 Cb -0.07 0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 1ddm s PHE 177 CO 0.03 -0.63 -0.01 -0.51 -1.34 0.00 0.00 175.22 172.75 1ddm s LEU 178 N -1.90 3.20 -0.28 -1.99 1.43 -1.22 -1.70 118.68 116.22 1ddm s LEU 178 Ca -0.06 -0.58 -0.22 0.00 -1.03 0.00 0.00 54.13 52.25 1ddm s LEU 178 Cb -0.01 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1ddm s LEU 178 CO -0.01 0.03 0.70 0.00 0.23 0.00 0.00 176.35 177.30 1ddm s ALA 179 N -2.11 3.57 -1.57 4.21 0.00 -1.12 -1.69 121.76 123.05 1ddm s ALA 179 Ca 0.30 -0.45 0.14 0.00 0.00 0.00 0.00 51.96 51.94 1ddm s ALA 179 Cb -0.07 -3.16 0.74 0.00 0.00 0.00 0.00 23.12 20.63 1ddm s ALA 179 CO 0.19 -1.01 1.35 0.00 0.00 0.00 0.00 175.76 176.29 1ddm n LYS 181 N -1.21 0.94 -2.73 0.00 4.76 -1.26 -5.03 118.16 113.62 1ddm n LYS 181 Ca 0.08 -0.02 -0.01 0.00 -2.87 0.00 0.00 58.31 55.49 1ddm n LYS 181 Cb 0.10 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.79 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 -2.67 -6.03 0.00 4.39 9.92 -0.92 -4.98 116.55 116.26 1ddm n ASP 182 Ca -0.29 1.34 0.00 0.00 -0.53 0.00 0.00 54.79 55.30 1ddm n ASP 182 Cb 1.09 -4.98 0.00 0.00 -0.64 0.00 0.00 41.12 36.59 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 1.05 0.00 -0.16 -2.24 2.88 -1.26 -5.02 113.62 108.87 1ddm n SER 183 Ca -0.11 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.41 1ddm n SER 183 Cb 0.20 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.65 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 -0.85 0.55 0.00 0.46 0.00 -1.26 -4.83 105.19 99.25 1ddm n GLY 184 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.90 4.64 0.14 1.61 -0.58 -1.26 -4.31 120.64 117.98 1ddm n GLU 185 Ca -0.02 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.74 1ddm n GLU 185 Cb 0.07 -0.58 0.05 0.00 -0.57 0.00 0.00 31.44 30.41 1ddm n GLU 185 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ddm h ARG 186 N 0.00 0.00 0.00 3.49 2.47 -1.96 -3.27 114.38 115.11 1ddm h ARG 186 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ddm h ARG 186 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1ddm h ARG 186 CO 0.00 0.54 -0.96 1.28 0.56 0.00 0.00 179.97 181.39 1ddm n LEU 187 N -3.27 1.91 0.12 3.04 4.32 -1.26 -4.43 117.00 117.43 1ddm n LEU 187 Ca 0.02 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.88 1ddm n LEU 187 Cb 0.73 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.46 1ddm n LEU 187 CO 0.41 0.31 0.77 -1.28 -1.22 0.00 0.00 177.39 176.38 1ddm h SER 188 N 0.00 -0.37 0.00 -1.43 0.87 -1.77 -1.12 113.55 109.74 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 0.96 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1ddm h SER 188 CO 0.00 -0.21 0.00 1.57 -0.53 0.00 0.00 176.83 177.66 1ddm n HIS 189 N -5.26 0.00 -0.10 2.24 -0.00 -1.23 -3.06 115.22 107.81 1ddm n HIS 189 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.50 1ddm n HIS 189 Cb 0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.12 1ddm n HIS 189 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ddm n ALA 190 N -0.62 0.89 0.28 1.57 0.00 -0.47 -4.44 120.51 117.72 1ddm n ALA 190 Ca 0.04 -0.81 0.16 0.00 0.00 0.00 0.00 53.44 52.84 1ddm n ALA 190 Cb 0.02 0.01 0.82 0.00 0.00 0.00 0.00 19.45 20.30 1ddm n ALA 190 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1ddm h VAL 191 N -1.00 0.25 0.00 0.00 3.04 -1.48 -2.35 116.25 114.71 1ddm h VAL 191 Ca -0.20 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1ddm h VAL 191 Cb 1.10 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 1ddm h VAL 191 CO -0.12 0.06 0.00 1.23 -1.01 0.00 0.00 177.57 177.73 1ddm h GLY 192 N 1.09 0.00 -0.97 3.17 0.00 -1.75 -0.84 103.07 103.78 1ddm h GLY 192 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ddm h GLY 192 CO 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 176.54 176.30 1ddm h ALA 194 N 3.09 0.36 -0.34 0.00 0.00 -1.16 -2.96 119.26 118.26 1ddm h ALA 194 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1ddm h ALA 194 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ddm h ALA 194 CO 0.00 0.01 -0.43 0.27 0.00 0.00 0.00 179.25 179.10 1ddm h PHE 195 N 0.27 1.03 -0.00 0.00 -0.00 -1.79 -1.26 116.94 115.18 1ddm h PHE 195 Ca 0.09 -0.32 0.00 0.00 -0.00 0.00 0.00 57.97 57.73 1ddm h PHE 195 Cb 0.28 -0.21 -0.00 0.00 -0.00 0.00 0.00 35.95 36.02 1ddm h PHE 195 CO 0.01 1.13 0.10 0.00 -0.00 0.00 0.00 178.31 179.55 1ddm h ALA 196 N 0.82 1.10 0.00 12.09 0.00 -1.76 -0.87 119.26 130.64 1ddm h ALA 196 Ca 0.05 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1ddm h ALA 196 Cb 1.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1ddm h ALA 196 CO 0.10 -0.10 -1.86 0.28 0.00 0.00 0.00 179.25 177.66 1ddm n VAL 197 N -3.03 0.49 1.12 0.00 0.31 -1.10 -4.31 118.33 111.82 1ddm n VAL 197 Ca -0.03 -0.49 0.10 0.00 -0.01 0.00 0.00 64.34 63.92 1ddm n VAL 197 Cb 0.16 -0.22 0.56 0.00 -0.91 0.00 0.00 33.84 33.43 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 -1.16 1.41 -0.50 0.00 4.77 -1.00 -3.56 117.00 116.95 1ddm n LEU 199 Ca 0.12 -0.50 0.12 0.00 -0.03 0.00 0.00 56.01 55.72 1ddm n LEU 199 Cb 0.12 -0.02 0.17 0.00 -2.33 0.00 0.00 43.42 41.35 1ddm n LEU 199 CO 0.14 0.25 0.51 1.21 -1.33 0.00 0.00 177.39 178.17 1ddm n GLU 200 N 0.11 1.34 0.00 3.23 4.07 -0.99 -5.15 120.64 123.24 1ddm n GLU 200 Ca 0.19 -1.01 0.04 0.00 -0.06 0.00 0.00 57.16 56.31 1ddm n GLU 200 Cb 0.33 -1.48 0.03 0.00 -0.06 0.00 0.00 31.44 30.26 1ddm n GLU 200 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61