#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 0.68 0.25 -0.41 -0.06 -1.26 -4.14 117.38 112.44 1ddm n GLN 68 Ca 0.00 0.16 0.17 0.00 -2.00 0.00 0.00 57.00 55.33 1ddm n GLN 68 Cb 0.00 -1.62 0.81 0.00 -4.06 0.00 0.00 30.24 25.38 1ddm n GLN 68 CO 0.00 0.00 0.00 2.35 -0.20 0.00 0.00 177.06 179.21 1ddm h TRP 69 N 0.01 0.00 0.00 3.69 7.01 -2.05 -0.93 115.95 123.68 1ddm h TRP 69 Ca -0.48 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.51 1ddm h TRP 69 Cb 2.06 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 29.12 1ddm h TRP 69 CO 0.02 0.00 -0.05 1.96 -2.79 0.00 0.00 178.44 177.58 1ddm h GLN 70 N 0.00 0.00 0.00 2.65 4.20 -2.01 -1.46 115.11 118.50 1ddm h GLN 70 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1ddm h GLN 70 Cb 0.24 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1ddm h GLN 70 CO 0.00 0.05 -2.07 0.00 -0.67 0.00 0.00 178.83 176.15 1ddm n ALA 71 N -2.12 2.07 -0.02 3.87 0.00 -0.42 -4.13 120.51 119.75 1ddm n ALA 71 Ca 0.01 -0.86 -0.16 0.00 0.00 0.00 0.00 53.44 52.43 1ddm n ALA 71 Cb 0.34 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 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 0.45 0.54 0.00 5.19 -1.22 0.22 116.42 121.60 1ddm h ASP 72 Ca -0.27 -0.69 -0.01 0.00 -0.62 0.00 0.00 57.03 55.44 1ddm h ASP 72 Cb 1.56 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.93 1ddm h ASP 72 CO 0.01 1.07 -0.04 -0.33 -3.12 0.00 0.00 179.24 176.84 1ddm h GLU 73 N -0.14 0.00 -0.02 3.56 4.39 -1.49 -1.73 114.58 119.15 1ddm h GLU 73 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ddm h GLU 73 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1ddm h GLU 73 CO 0.08 0.04 -0.17 -1.91 -1.16 0.00 0.00 179.01 175.89 1ddm n GLU 74 N -3.22 1.50 0.05 2.33 2.13 -1.19 -4.55 120.64 117.69 1ddm n GLU 74 Ca -0.01 -1.10 -0.13 0.00 0.66 0.00 0.00 57.16 56.58 1ddm n GLU 74 Cb 0.22 -1.27 -0.08 0.00 0.27 0.00 0.00 31.44 30.57 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 2.88 -0.10 -0.88 4.31 0.00 0.41 -1.61 119.26 124.27 1ddm h ALA 75 Ca 0.00 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1ddm h ALA 75 Cb 0.59 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1ddm h ALA 75 CO 0.00 -0.44 0.57 0.28 0.00 0.00 0.00 179.25 179.66 1ddm h VAL 76 N -0.34 0.90 -0.36 0.00 2.07 -1.73 0.15 116.25 116.93 1ddm h VAL 76 Ca -0.01 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 1ddm h VAL 76 Cb 0.30 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1ddm h VAL 76 CO 0.02 0.14 -0.13 0.03 0.02 0.00 0.00 177.57 177.65 1ddm h ARG 77 N 0.78 0.64 -0.01 1.57 3.08 -1.76 -0.81 114.38 117.87 1ddm h ARG 77 Ca 0.42 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1ddm h ARG 77 Cb 0.56 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1ddm h ARG 77 CO -0.19 0.75 0.00 0.43 -1.07 0.00 0.00 179.97 179.90 1ddm n SER 78 N -4.17 0.17 -2.57 7.04 7.64 0.38 -4.87 113.62 117.25 1ddm n SER 78 Ca 0.01 -1.19 -0.14 0.00 1.01 0.00 0.00 58.87 58.55 1ddm n SER 78 Cb 0.35 -0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.60 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 -0.80 -1.04 -2.78 -0.43 0.00 -0.43 -4.99 120.51 110.05 1ddm n ALA 79 Ca 0.20 0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.79 1ddm n ALA 79 Cb 0.12 -3.07 0.02 0.00 0.00 0.00 0.00 19.45 16.51 1ddm n ALA 79 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ddm s THR 80 N -3.22 -0.38 0.00 0.00 -1.32 -0.57 -4.43 115.64 105.72 1ddm s THR 80 Ca 0.25 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1ddm s THR 80 Cb -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.88 1ddm s THR 80 CO 0.48 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.89 1ddm n SER 82 N 0.00 -2.35 -0.78 0.00 7.64 -1.26 -2.46 113.62 114.41 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 -0.01 -0.67 -1.48 1.43 3.72 -1.04 -4.88 117.46 114.53 1ddm n PHE 83 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 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 0.43 -0.05 0.00 0.00 176.76 177.14 1ddm n SER 84 N -0.98 -0.77 -1.83 4.37 7.64 -1.26 -1.29 113.62 119.49 1ddm n SER 84 Ca 0.00 0.80 -0.07 0.00 1.01 0.00 0.00 58.87 60.61 1ddm n SER 84 Cb 0.00 -1.18 -0.02 0.00 -1.01 0.00 0.00 64.21 62.00 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 -1.43 0.00 -3.22 0.44 0.24 -0.97 -2.74 118.33 110.65 1ddm n VAL 85 Ca 0.11 -0.82 -0.24 0.00 -2.04 0.00 0.00 64.34 61.35 1ddm n VAL 85 Cb 0.45 0.46 -0.07 0.00 -1.47 0.00 0.00 33.84 33.21 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 -0.24 1.01 -1.54 7.34 5.02 0.05 -3.86 118.16 125.94 1ddm n LYS 86 Ca 0.02 -3.45 -0.46 0.00 -2.02 0.00 0.00 58.31 52.40 1ddm n LYS 86 Cb 0.23 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 1ddm n LYS 86 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1ddm n TYR 87 N 1.20 1.84 -0.08 2.13 9.36 -1.23 -3.35 117.16 127.03 1ddm n TYR 87 Ca 0.23 0.02 -0.13 0.00 3.32 0.00 0.00 57.90 61.34 1ddm n TYR 87 Cb 0.53 -2.66 -0.09 0.00 -0.63 0.00 0.00 39.34 36.48 1ddm n TYR 87 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1ddm h LEU 88 N 14.05 0.00 0.00 2.98 3.38 -1.67 -1.14 115.31 132.91 1ddm h LEU 88 Ca -0.36 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.01 1ddm h LEU 88 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1ddm h LEU 88 CO 0.98 1.02 0.00 0.61 0.09 0.00 0.00 178.44 181.14 1ddm n GLY 89 N 1.59 -0.56 3.26 0.83 0.00 -1.25 -3.25 105.19 105.81 1ddm n GLY 89 Ca -0.14 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 1.61 2.36 0.27 0.00 -7.23 -0.59 -4.96 120.40 111.86 1ddm s VAL 91 Ca -0.08 -2.31 -0.26 0.00 -1.81 0.00 0.00 61.98 57.53 1ddm s VAL 91 Cb -0.09 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 34.28 1ddm s VAL 91 CO -0.13 -0.30 0.89 -1.83 -0.31 0.00 0.00 175.10 173.42 1ddm s GLU 92 N -3.56 4.58 -0.10 4.82 -1.05 -1.26 -1.54 118.70 120.59 1ddm s GLU 92 Ca 0.31 1.26 -0.04 0.00 -0.15 0.00 0.00 54.97 56.35 1ddm s GLU 92 Cb -0.01 -2.96 0.05 0.00 -0.44 0.00 0.00 34.13 30.76 1ddm s GLU 92 CO 0.16 0.38 0.21 0.14 0.95 0.00 0.00 175.26 177.10 1ddm s VAL 93 N -1.46 -0.12 -1.24 1.83 -7.23 -1.22 -4.88 120.40 106.08 1ddm s VAL 93 Ca 0.45 0.20 -0.05 0.00 -1.81 0.00 0.00 61.98 60.77 1ddm s VAL 93 Cb -0.20 -0.34 0.18 0.00 0.56 0.00 0.00 36.38 36.57 1ddm s VAL 93 CO 0.25 0.08 2.19 0.49 -0.31 0.00 0.00 175.10 177.80 1ddm n PHE 94 N 4.48 2.65 0.00 2.82 3.72 -1.26 -4.49 117.46 125.39 1ddm n PHE 94 Ca -0.21 -2.75 0.00 0.00 -0.05 0.00 0.00 57.45 54.44 1ddm n PHE 94 Cb 0.52 -1.67 0.00 0.00 -0.94 0.00 0.00 39.48 37.38 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 1.43 0.00 -2.77 -1.08 -0.58 -1.26 -5.02 120.64 111.36 1ddm n GLU 95 Ca 0.56 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 57.12 1ddm n GLU 95 Cb 0.26 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.13 1ddm n GLU 95 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1ddm n SER 96 N -1.39 -4.75 -3.92 1.62 7.64 -1.26 -4.96 113.62 106.60 1ddm n SER 96 Ca 0.00 -0.08 -0.19 0.00 1.01 0.00 0.00 58.87 59.60 1ddm n SER 96 Cb 0.00 -3.94 -0.16 0.00 -1.01 0.00 0.00 64.21 59.10 1ddm n SER 96 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ddm s ARG 97 N -5.40 0.79 1.12 1.43 0.52 -1.26 -5.00 118.95 111.14 1ddm s ARG 97 Ca 0.16 -0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 1ddm s ARG 97 Cb -0.08 -0.78 0.00 0.00 0.52 0.00 0.00 34.95 34.61 1ddm s ARG 97 CO 0.19 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.90 1ddm n GLY 98 N 3.77 -1.79 0.00 -3.53 0.00 -1.26 -4.59 105.19 97.79 1ddm n GLY 98 Ca -0.23 -1.55 0.03 0.00 0.00 0.00 0.00 46.02 44.28 1ddm n GLY 98 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ddm n MET 99 N 0.00 4.29 0.00 1.61 0.00 -1.26 -4.54 117.12 117.22 1ddm n MET 99 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1ddm n MET 99 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 33.22 32.37 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 -1.22 0.89 0.14 3.17 1.13 -1.26 -3.22 117.38 117.01 1ddm n GLN 100 Ca 0.01 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.19 1ddm n GLN 100 Cb 0.11 -1.23 0.21 0.00 0.11 0.00 0.00 30.24 29.44 1ddm n GLN 100 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1ddm h VAL 101 N 0.00 0.00 0.07 5.09 2.07 -1.81 -3.30 116.25 118.37 1ddm h VAL 101 Ca 0.00 -0.77 -0.31 0.00 0.82 0.00 0.00 66.70 66.44 1ddm h VAL 101 Cb 0.23 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1ddm h VAL 101 CO 0.00 0.00 -1.68 0.00 0.02 0.00 0.00 177.57 175.91 1ddm n GLU 103 N -3.30 0.30 0.05 0.00 1.02 -1.24 -2.17 120.64 115.30 1ddm n GLU 103 Ca -0.19 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1ddm n GLU 103 Cb 1.04 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 1ddm n GLU 103 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ddm n GLU 104 N -1.01 0.00 -0.30 3.49 1.02 -1.25 -4.73 120.64 117.86 1ddm n GLU 104 Ca 0.07 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.29 1ddm n GLU 104 Cb 0.04 -0.49 0.29 0.00 -0.02 0.00 0.00 31.44 31.25 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 0.00 1.63 -0.87 0.62 0.00 -1.60 -0.97 119.26 118.07 1ddm h ALA 105 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1ddm h ALA 105 Cb 0.04 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.56 1ddm h ALA 105 CO 0.00 0.17 0.56 1.25 0.00 0.00 0.00 179.25 181.23 1ddm h LEU 106 N 0.90 0.59 -0.05 0.00 5.85 -1.70 -0.78 115.31 120.13 1ddm h LEU 106 Ca 0.44 0.04 -0.26 0.00 0.84 0.00 0.00 57.88 58.94 1ddm h LEU 106 Cb 0.46 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.42 1ddm h LEU 106 CO -0.20 0.30 -1.06 0.50 -0.34 0.00 0.00 178.44 177.64 1ddm h LYS 107 N 0.62 0.51 -0.61 1.25 3.64 -1.42 -3.06 116.57 117.50 1ddm h LYS 107 Ca 0.44 -0.60 0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1ddm h LYS 107 Cb 0.77 0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.72 1ddm h LYS 107 CO -0.19 1.22 0.34 0.28 -2.27 0.00 0.00 179.45 178.83 1ddm h VAL 108 N 0.27 0.98 0.00 2.00 2.07 -0.78 0.03 116.25 120.81 1ddm h VAL 108 Ca -0.12 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1ddm h VAL 108 Cb 1.71 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1ddm h VAL 108 CO 0.19 0.12 0.00 -0.07 0.02 0.00 0.00 177.57 177.83 1ddm h LEU 109 N 0.64 0.00 0.00 2.57 3.38 -1.44 -2.37 115.31 118.09 1ddm h LEU 109 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1ddm h LEU 109 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ddm h LEU 109 CO -0.16 0.00 -0.18 -1.14 0.09 0.00 0.00 178.44 177.05 1ddm n ARG 110 N -2.68 0.08 -0.04 1.13 0.63 -0.06 -4.09 116.66 111.63 1ddm n ARG 110 Ca 0.02 0.05 -0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1ddm n ARG 110 Cb 0.31 -1.57 -0.00 0.00 0.45 0.00 0.00 32.46 31.65 1ddm n ARG 110 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1ddm h GLN 111 N 0.00 0.00 0.00 -0.14 4.20 -0.86 -3.51 115.11 114.80 1ddm h GLN 111 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ddm h GLN 111 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1ddm h GLN 111 CO 0.00 0.00 0.00 0.45 -0.67 0.00 0.00 178.83 178.61 1ddm n SER 112 N -4.09 0.00 0.00 1.46 2.88 -1.24 -5.04 113.62 107.59 1ddm n SER 112 Ca -0.00 -0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.14 1ddm n SER 112 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1ddm n SER 112 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ddm n ARG 113 N 0.00 0.00 -3.22 -1.46 5.12 -1.26 -4.69 116.66 111.15 1ddm n ARG 113 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 1ddm n ARG 113 Cb 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 1ddm n ARG 113 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1ddm s ARG 114 N 0.00 3.16 0.25 5.56 1.81 -1.26 -5.05 118.95 123.42 1ddm s ARG 114 Ca 0.00 -0.65 -0.25 0.00 -1.72 0.00 0.00 55.73 53.11 1ddm s ARG 114 Cb 0.00 -3.99 -0.09 0.00 -0.45 0.00 0.00 34.95 30.42 1ddm s ARG 114 CO 0.00 -0.98 0.86 1.03 -0.68 0.00 0.00 175.30 175.53 1ddm s ARG 115 N 2.46 4.57 0.66 3.54 3.00 -1.20 -4.66 118.95 127.33 1ddm s ARG 115 Ca 0.16 1.23 -0.11 0.00 0.00 0.00 0.00 55.73 57.01 1ddm s ARG 115 Cb -0.16 -3.02 -0.01 0.00 0.00 0.00 0.00 34.95 31.75 1ddm s ARG 115 CO 0.15 0.42 1.05 -1.25 0.00 0.00 0.00 175.30 175.67 1ddm s PRO 116 N -1.65 3.24 0.11 3.54 0.04 -1.26 -4.40 135.00 134.62 1ddm s PRO 116 Ca 0.43 0.86 0.07 0.00 0.04 0.00 0.00 61.00 62.40 1ddm s PRO 116 Cb -0.21 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1ddm s PRO 116 CO 0.25 -0.86 -0.16 0.08 0.04 0.00 0.00 177.00 176.35 1ddm s VAL 117 N -3.11 1.42 -0.57 -0.36 1.01 -0.43 -4.93 120.40 113.44 1ddm s VAL 117 Ca 0.57 -1.58 -0.18 0.00 0.00 0.00 0.00 61.98 60.79 1ddm s VAL 117 Cb -0.13 -1.44 0.11 0.00 0.00 0.00 0.00 36.38 34.92 1ddm s VAL 117 CO 0.55 -0.26 0.62 -0.60 0.00 0.00 0.00 175.10 175.41 1ddm s ARG 118 N -2.23 3.02 0.00 2.72 3.52 -1.26 -3.56 118.95 121.16 1ddm s ARG 118 Ca 0.06 -1.47 0.00 0.00 -0.13 0.00 0.00 55.73 54.19 1ddm s ARG 118 Cb -0.08 -4.28 0.00 0.00 -1.56 0.00 0.00 34.95 29.03 1ddm s ARG 118 CO 0.04 -1.45 0.00 0.41 -0.81 0.00 0.00 175.30 173.48 1ddm n GLY 119 N 5.27 3.60 3.26 8.12 0.00 -1.25 -1.80 105.19 122.40 1ddm n GLY 119 Ca -0.11 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 1ddm n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ddm s LEU 120 N 0.00 2.33 -0.23 0.99 1.98 -0.25 -2.30 118.68 121.19 1ddm s LEU 120 Ca 0.00 -0.49 -0.17 0.00 -2.89 0.00 0.00 54.13 50.58 1ddm s LEU 120 Cb 0.00 -1.49 -0.03 0.00 0.66 0.00 0.00 46.19 45.32 1ddm s LEU 120 CO 0.00 0.14 0.48 -0.22 -1.89 0.00 0.00 176.35 174.86 1ddm s LEU 121 N 0.47 4.10 -0.65 -0.68 2.96 -0.41 -1.40 118.68 123.06 1ddm s LEU 121 Ca -0.13 0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 54.31 1ddm s LEU 121 Cb -0.17 -2.63 0.17 0.00 0.50 0.00 0.00 46.19 44.06 1ddm s LEU 121 CO 0.06 -0.20 0.46 -1.00 -1.32 0.00 0.00 176.35 174.35 1ddm s HIS 122 N 1.87 3.43 -0.85 5.38 3.76 -0.93 -2.50 115.29 125.45 1ddm s HIS 122 Ca 0.21 -2.79 -0.25 0.00 -0.15 0.00 0.00 55.06 52.08 1ddm s HIS 122 Cb -0.15 -3.17 -0.07 0.00 1.11 0.00 0.00 32.58 30.30 1ddm s HIS 122 CO 0.09 -0.82 2.06 0.08 -0.85 0.00 0.00 174.74 175.31 1ddm s VAL 123 N -0.24 3.33 0.50 -0.90 1.01 -1.03 -2.93 120.40 120.13 1ddm s VAL 123 Ca 0.18 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 1ddm s VAL 123 Cb -0.19 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 1ddm s VAL 123 CO -0.04 -0.70 0.90 -0.94 0.00 0.00 0.00 175.10 174.32 1ddm s SER 124 N 8.81 6.46 0.00 3.32 1.04 0.87 -1.97 113.70 132.22 1ddm s SER 124 Ca 0.76 1.31 0.10 0.00 0.48 0.00 0.00 55.95 58.60 1ddm s SER 124 Cb -0.09 -2.41 0.46 0.00 0.10 0.00 0.00 66.02 64.09 1ddm s SER 124 CO 0.03 -0.59 1.23 0.61 0.98 0.00 0.00 173.24 175.50 1ddm n GLY 125 N -1.84 -0.68 1.43 7.32 0.00 -0.42 -1.99 105.19 109.01 1ddm n GLY 125 Ca 0.04 -0.04 -0.06 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 -1.36 2.79 0.00 1.61 2.03 -1.26 -4.26 116.55 116.11 1ddm n ASP 126 Ca 0.04 -3.46 0.00 0.00 0.52 0.00 0.00 54.79 51.89 1ddm n ASP 126 Cb 0.09 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 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 -0.74 0.53 3.51 0.27 0.00 -0.84 -4.56 105.19 103.36 1ddm n GLY 127 Ca 0.26 -2.24 -0.24 0.00 0.00 0.00 0.00 46.02 43.79 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 2.61 -0.29 0.99 1.43 -1.22 -0.09 118.68 122.11 1ddm s LEU 128 Ca 0.00 -1.26 0.03 0.00 -1.03 0.00 0.00 54.13 51.87 1ddm s LEU 128 Cb 0.00 -0.77 0.20 0.00 0.03 0.00 0.00 46.19 45.64 1ddm s LEU 128 CO 0.00 -0.37 0.59 -0.60 0.23 0.00 0.00 176.35 176.20 1ddm s ARG 129 N -3.71 0.56 -0.68 1.70 3.52 -1.15 -4.20 118.95 114.99 1ddm s ARG 129 Ca 0.33 0.72 -0.21 0.00 -0.13 0.00 0.00 55.73 56.44 1ddm s ARG 129 Cb 0.06 0.36 0.09 0.00 -1.56 0.00 0.00 34.95 33.89 1ddm s ARG 129 CO 0.15 -0.88 0.91 0.08 -0.81 0.00 0.00 175.30 174.75 1ddm s VAL 130 N 2.84 4.53 -0.36 7.11 1.01 -1.25 -2.18 120.40 132.10 1ddm s VAL 130 Ca 0.14 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1ddm s VAL 130 Cb -0.12 -4.64 0.00 0.00 0.00 0.00 0.00 36.38 31.62 1ddm s VAL 130 CO -0.24 -1.37 0.57 -0.69 0.00 0.00 0.00 175.10 173.37 1ddm s VAL 131 N 3.44 4.95 0.51 2.92 1.01 -0.50 -2.23 120.40 130.51 1ddm s VAL 131 Ca 0.20 0.43 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 1ddm s VAL 131 Cb -0.17 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 1ddm s VAL 131 CO 0.06 -0.28 0.89 0.47 0.00 0.00 0.00 175.10 176.25 1ddm n ASP 132 N 5.89 0.61 -1.56 3.32 8.00 -1.26 -1.09 116.55 130.45 1ddm n ASP 132 Ca -0.03 0.90 0.06 0.00 0.71 0.00 0.00 54.79 56.42 1ddm n ASP 132 Cb 0.49 -1.33 0.32 0.00 -0.02 0.00 0.00 41.12 40.58 1ddm n ASP 132 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ddm n ASP 133 N 0.08 4.62 0.00 -2.24 8.00 -0.74 -1.15 116.55 125.13 1ddm n ASP 133 Ca 0.11 -2.68 0.00 0.00 0.71 0.00 0.00 54.79 52.93 1ddm n ASP 133 Cb 0.43 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 1ddm n ASP 133 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ddm n GLU 134 N 0.54 3.34 0.00 -1.24 -0.58 -1.26 -4.87 120.64 116.58 1ddm n GLU 134 Ca 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1ddm n GLU 134 Cb 0.96 -0.71 0.00 0.00 -0.57 0.00 0.00 31.44 31.12 1ddm n GLU 134 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1ddm n THR 135 N -0.66 0.00 -1.87 2.62 5.66 -1.25 -5.01 114.28 113.77 1ddm n THR 135 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1ddm n THR 135 Cb 0.00 0.06 -0.05 0.00 -1.55 0.00 0.00 70.33 68.80 1ddm n THR 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ddm n LYS 136 N -0.47 -1.59 0.00 1.09 4.76 -0.30 -4.92 118.16 116.74 1ddm n LYS 136 Ca 0.00 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.40 1ddm n LYS 136 Cb 0.02 -5.41 0.00 0.00 -1.84 0.00 0.00 35.03 27.80 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 -0.57 1.40 3.15 0.72 0.00 -1.26 -4.76 105.19 103.87 1ddm n GLY 137 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.11 0.12 0.99 2.96 -1.26 -4.74 118.68 115.63 1ddm s LEU 138 Ca 0.00 0.25 0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1ddm s LEU 138 Cb 0.00 1.75 -0.21 0.00 0.50 0.00 0.00 46.19 48.23 1ddm s LEU 138 CO 0.00 -0.20 1.27 0.40 -1.32 0.00 0.00 176.35 176.49 1ddm h ILE 139 N 5.47 1.70 -2.33 6.68 2.04 -1.85 -3.47 117.51 125.76 1ddm h ILE 139 Ca -0.08 -3.41 -0.08 0.00 1.00 0.00 0.00 64.86 62.29 1ddm h ILE 139 Cb 1.18 2.84 -0.20 0.00 -0.74 0.00 0.00 36.82 39.91 1ddm h ILE 139 CO 0.06 0.97 0.03 0.54 0.00 0.00 0.00 178.15 179.75 1ddm s VAL 140 N -2.71 0.02 -0.37 1.67 0.11 -1.26 -5.03 120.40 112.84 1ddm s VAL 140 Ca 0.01 -0.13 0.12 0.00 -2.93 0.00 0.00 61.98 59.04 1ddm s VAL 140 Cb 0.10 -0.87 0.44 0.00 -1.53 0.00 0.00 36.38 34.53 1ddm s VAL 140 CO 0.82 -0.07 1.05 -0.90 -3.33 0.00 0.00 175.10 172.67 1ddm n ASP 141 N 1.31 3.22 -3.09 3.54 5.75 -1.26 -3.87 116.55 122.15 1ddm n ASP 141 Ca -0.19 -3.21 -0.17 0.00 -0.01 0.00 0.00 54.79 51.22 1ddm n ASP 141 Cb 0.57 -0.48 0.12 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.34 -0.88 -3.91 0.11 1.13 -1.26 -5.00 117.38 107.23 1ddm n GLN 142 Ca 0.25 -1.16 -0.09 0.00 -1.94 0.00 0.00 57.00 54.06 1ddm n GLN 142 Cb 0.76 -0.80 -0.06 0.00 0.11 0.00 0.00 30.24 30.25 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 -2.61 0.06 0.01 5.09 2.01 -1.26 -3.37 115.64 115.57 1ddm s THR 143 Ca 0.43 -1.26 -0.09 0.00 0.31 0.00 0.00 61.69 61.07 1ddm s THR 143 Cb -0.01 -1.77 -0.31 0.00 0.01 0.00 0.00 72.50 70.42 1ddm s THR 143 CO 0.30 -0.28 0.88 0.40 -0.69 0.00 0.00 174.62 175.23 1ddm h ILE 144 N 2.49 1.18 0.00 1.82 2.04 -1.85 -2.93 117.51 120.26 1ddm h ILE 144 Ca -0.31 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 62.82 1ddm h ILE 144 Cb 1.23 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 40.18 1ddm h ILE 144 CO 0.47 0.84 0.00 -1.84 0.00 0.00 0.00 178.15 177.61 1ddm n GLU 145 N -3.57 0.12 -0.07 2.37 -0.00 -1.26 -3.61 120.64 114.61 1ddm n GLU 145 Ca -0.18 0.13 -0.20 0.00 -0.00 0.00 0.00 57.16 56.92 1ddm n GLU 145 Cb 1.07 -1.65 -0.12 0.00 -0.00 0.00 0.00 31.44 30.74 1ddm n GLU 145 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1ddm h LYS 146 N 0.00 0.05 -6.93 3.44 1.63 -1.97 -3.47 116.57 109.33 1ddm h LYS 146 Ca 0.00 -0.09 -0.53 0.00 -0.85 0.00 0.00 60.65 59.18 1ddm h LYS 146 Cb 0.57 0.03 0.08 0.00 -0.60 0.00 0.00 32.23 32.31 1ddm h LYS 146 CO 0.00 1.04 0.65 0.14 -3.45 0.00 0.00 179.45 177.83 1ddm s VAL 147 N -2.35 2.53 0.05 2.00 -7.23 -1.11 -4.90 120.40 109.39 1ddm s VAL 147 Ca -0.24 0.50 -0.17 0.00 -1.81 0.00 0.00 61.98 60.26 1ddm s VAL 147 Cb 0.03 -3.30 -0.07 0.00 0.56 0.00 0.00 36.38 33.60 1ddm s VAL 147 CO 0.65 0.09 1.27 -1.28 -0.31 0.00 0.00 175.10 175.53 1ddm h SER 148 N 2.92 -0.81 -2.35 4.85 0.87 -1.71 -3.44 113.55 113.87 1ddm h SER 148 Ca -0.50 0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.21 1ddm h SER 148 Cb 1.24 0.31 -0.21 0.00 -0.44 0.00 0.00 62.40 63.30 1ddm h SER 148 CO 0.64 -0.25 -0.09 0.72 -0.53 0.00 0.00 176.83 177.31 1ddm s PHE 149 N -4.33 -1.23 1.01 2.24 -0.12 -1.26 -5.09 117.98 109.20 1ddm s PHE 149 Ca -0.08 2.24 -0.11 0.00 -0.05 0.00 0.00 56.93 58.93 1ddm s PHE 149 Cb 0.03 0.73 0.20 0.00 -0.63 0.00 0.00 43.02 43.35 1ddm s PHE 149 CO 0.30 -0.61 1.09 0.00 -0.05 0.00 0.00 175.22 175.94 1ddm s ALA 151 N -2.55 -2.47 0.00 0.00 0.00 -1.18 -4.88 121.76 110.68 1ddm s ALA 151 Ca 0.67 2.14 0.00 0.00 0.00 0.00 0.00 51.96 54.77 1ddm s ALA 151 Cb -0.24 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1ddm s ALA 151 CO 0.61 -0.64 0.00 -0.35 0.00 0.00 0.00 175.76 175.37 1ddm n PRO 152 N 4.34 0.00 0.00 0.00 -0.04 -1.26 -1.88 135.00 136.15 1ddm n PRO 152 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1ddm n PRO 152 Cb 0.55 -0.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 0.00 0.00 3.54 5.75 -1.26 -3.96 116.55 120.63 1ddm n ASP 153 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ddm n ASP 153 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1ddm n ASP 153 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ddm n ARG 154 N 0.00 0.00 -1.60 0.11 3.00 -1.26 -4.98 116.66 111.93 1ddm n ARG 154 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1ddm n ARG 154 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 32.46 32.12 1ddm n ARG 154 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1ddm n ASN 155 N -0.02 -0.10 0.00 0.55 4.05 -1.26 -4.99 115.26 113.49 1ddm n ASN 155 Ca 0.00 -1.07 0.00 0.00 0.45 0.00 0.00 54.58 53.96 1ddm n ASN 155 Cb 0.00 0.08 0.00 0.00 1.23 0.00 0.00 39.78 41.09 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 -0.07 0.00 0.11 1.20 -0.00 -1.26 -4.94 115.22 110.26 1ddm n HIS 156 Ca -0.02 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.14 1ddm n HIS 156 Cb 0.52 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.41 1ddm n HIS 156 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1ddm h GLU 157 N 0.00 0.00 -0.98 1.57 5.08 -1.97 -3.47 114.58 114.81 1ddm h GLU 157 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 1ddm h GLU 157 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 1ddm h GLU 157 CO 0.00 0.71 -0.34 0.54 -1.00 0.00 0.00 179.01 178.91 1ddm n ARG 158 N -3.39 -1.48 -5.08 2.33 1.74 -1.26 -4.85 116.66 104.67 1ddm n ARG 158 Ca 0.00 1.12 -0.28 0.00 -0.77 0.00 0.00 57.85 57.92 1ddm n ARG 158 Cb 0.77 -5.49 -0.16 0.00 -1.02 0.00 0.00 32.46 26.57 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 -2.62 1.10 0.39 -0.13 0.00 -1.26 -2.32 107.32 102.48 1ddm s GLY 159 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 44.72 43.82 1ddm s GLY 159 CO 0.00 -0.82 -0.02 -1.36 0.00 0.00 0.00 173.10 170.90 1ddm s PHE 160 N -0.55 2.49 0.13 1.90 0.08 -0.60 -3.98 117.98 117.45 1ddm s PHE 160 Ca 0.09 -0.60 -0.16 0.00 0.12 0.00 0.00 56.93 56.38 1ddm s PHE 160 Cb -0.09 -1.64 0.04 0.00 -0.57 0.00 0.00 43.02 40.76 1ddm s PHE 160 CO -0.01 0.48 0.42 -1.12 -0.10 0.00 0.00 175.22 174.89 1ddm s SER 161 N -3.69 -0.25 0.06 1.36 0.01 -0.79 -1.82 113.70 108.59 1ddm s SER 161 Ca 0.34 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.31 1ddm s SER 161 Cb 0.07 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.76 1ddm s SER 161 CO 0.18 -0.88 -0.10 -0.72 0.41 0.00 0.00 173.24 172.13 1ddm s TYR 162 N -3.81 0.89 0.23 2.43 1.13 -1.00 -3.10 117.35 114.11 1ddm s TYR 162 Ca 0.04 -0.54 0.10 0.00 -1.41 0.00 0.00 57.07 55.25 1ddm s TYR 162 Cb 0.01 -0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 40.32 1ddm s TYR 162 CO -0.11 -0.04 -0.11 0.42 -2.51 0.00 0.00 175.55 173.21 1ddm s ILE 163 N -1.69 3.03 -0.26 -3.49 1.09 -1.26 -1.28 121.20 117.33 1ddm s ILE 163 Ca -0.04 -1.93 -0.20 0.00 -1.10 0.00 0.00 60.65 57.38 1ddm s ILE 163 Cb -0.08 -2.55 0.07 0.00 -1.06 0.00 0.00 42.46 38.84 1ddm s ILE 163 CO 0.00 -0.25 0.67 0.00 -0.10 0.00 0.00 174.94 175.27 1ddm s ARG 165 N 0.87 3.08 1.53 0.00 0.52 -1.26 -1.44 118.95 122.25 1ddm s ARG 165 Ca -0.04 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 1ddm s ARG 165 Cb -0.05 -2.67 0.00 0.00 0.52 0.00 0.00 34.95 32.75 1ddm s ARG 165 CO -0.07 -0.21 0.00 -0.25 0.02 0.00 0.00 175.30 174.79 1ddm n ASP 166 N 4.66 -2.51 0.00 0.23 9.92 -0.15 -4.83 116.55 123.87 1ddm n ASP 166 Ca -0.20 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 1ddm n ASP 166 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 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 2.98 0.00 0.44 0.00 -1.26 -3.84 105.19 103.51 1ddm n GLY 167 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ddm n GLY 167 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ddm n THR 168 N -2.00 0.00 0.00 2.61 5.66 -1.26 -4.95 114.28 114.34 1ddm n THR 168 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ddm n THR 168 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ddm n THR 168 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ddm n THR 169 N 0.00 0.00 -1.70 1.09 -1.04 -1.25 -5.00 114.28 106.38 1ddm n THR 169 Ca 0.00 -0.16 -0.20 0.00 -2.04 0.00 0.00 64.05 61.65 1ddm n THR 169 Cb 0.07 0.64 -0.08 0.00 -1.82 0.00 0.00 70.33 69.14 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 -0.97 -1.48 0.00 -2.82 1.74 -1.26 -4.80 116.66 107.07 1ddm n ARG 170 Ca 0.00 1.18 0.00 0.00 -0.77 0.00 0.00 57.85 58.26 1ddm n ARG 170 Cb 0.00 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 25.85 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 -2.44 -2.01 -2.67 5.56 1.85 -1.26 -4.82 116.66 110.87 1ddm n ARG 171 Ca -0.21 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.21 1ddm n ARG 171 Cb 0.67 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.06 1ddm n ARG 171 CO 0.00 0.00 0.00 1.67 -0.01 0.00 0.00 177.63 179.29 1ddm s TRP 172 N -2.00 3.38 -0.04 2.89 -2.14 -1.26 -0.98 118.94 118.79 1ddm s TRP 172 Ca 0.00 1.49 -0.04 0.00 2.66 0.00 0.00 56.10 60.22 1ddm s TRP 172 Cb 0.00 -3.25 0.01 0.00 -3.10 0.00 0.00 33.47 27.14 1ddm s TRP 172 CO 0.00 -0.42 0.11 -1.64 -2.66 0.00 0.00 176.95 172.35 1ddm s MET 173 N 2.90 0.12 -0.04 3.25 -1.94 -0.52 -3.42 119.30 119.66 1ddm s MET 173 Ca 0.45 0.18 0.06 0.00 -1.71 0.00 0.00 55.69 54.66 1ddm s MET 173 Cb -0.16 0.03 -0.01 0.00 2.01 0.00 0.00 34.83 36.70 1ddm s MET 173 CO 0.09 -0.04 -0.21 0.00 -0.01 0.00 0.00 175.02 174.85 1ddm s HIS 175 N -0.20 3.32 0.03 0.00 3.76 -0.41 -1.54 115.29 120.26 1ddm s HIS 175 Ca -0.00 -0.01 0.03 0.00 -0.15 0.00 0.00 55.06 54.94 1ddm s HIS 175 Cb -0.11 -1.54 -0.02 0.00 1.11 0.00 0.00 32.58 32.01 1ddm s HIS 175 CO 0.02 0.49 -0.10 0.20 -0.85 0.00 0.00 174.74 174.50 1ddm s GLY 176 N -3.59 0.58 -0.19 -2.22 0.00 -1.15 -2.38 107.32 98.36 1ddm s GLY 176 Ca 0.33 -0.65 -0.15 0.00 0.00 0.00 0.00 44.72 44.25 1ddm s GLY 176 CO 0.27 -0.64 0.50 -0.11 0.00 0.00 0.00 173.10 173.11 1ddm s PHE 177 N -0.80 -0.62 0.35 1.90 -0.71 -0.76 -2.36 117.98 114.99 1ddm s PHE 177 Ca -0.01 1.41 0.07 0.00 -1.04 0.00 0.00 56.93 57.36 1ddm s PHE 177 Cb -0.07 0.25 -0.01 0.00 -1.21 0.00 0.00 43.02 41.98 1ddm s PHE 177 CO 0.01 -0.31 0.44 -0.51 -1.34 0.00 0.00 175.22 173.50 1ddm s LEU 178 N 0.69 3.80 -0.33 -1.99 1.43 -1.21 -1.56 118.68 119.51 1ddm s LEU 178 Ca -0.03 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 1ddm s LEU 178 Cb -0.05 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 1ddm s LEU 178 CO -0.05 -0.48 0.31 0.00 0.23 0.00 0.00 176.35 176.36 1ddm s ALA 179 N -2.25 3.51 -0.91 4.21 0.00 -0.98 -0.77 121.76 124.57 1ddm s ALA 179 Ca 0.46 -1.24 0.13 0.00 0.00 0.00 0.00 51.96 51.32 1ddm s ALA 179 Cb -0.08 -2.75 0.58 0.00 0.00 0.00 0.00 23.12 20.87 1ddm s ALA 179 CO 0.30 -0.99 1.43 0.00 0.00 0.00 0.00 175.76 176.50 1ddm h LYS 181 N 0.00 0.00 -5.43 0.00 1.79 -1.92 -3.49 116.57 107.51 1ddm h LYS 181 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1ddm h LYS 181 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1ddm h LYS 181 CO 0.00 0.31 -0.73 -0.25 -1.08 0.00 0.00 179.45 177.70 1ddm n ASP 182 N -3.02 -7.67 0.13 0.86 8.00 -0.74 -4.95 116.55 109.16 1ddm n ASP 182 Ca -0.02 0.69 0.00 0.00 0.71 0.00 0.00 54.79 56.17 1ddm n ASP 182 Cb 0.72 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 37.00 1ddm n ASP 182 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ddm n SER 183 N 0.04 -2.36 0.00 -2.24 2.88 -1.26 -5.05 113.62 105.63 1ddm n SER 183 Ca 0.06 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1ddm n SER 183 Cb 0.37 2.38 0.00 0.00 -0.75 0.00 0.00 64.21 66.21 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 -1.32 1.32 1.70 0.46 0.00 -1.26 -4.87 105.19 101.22 1ddm n GLY 184 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.12 0.00 0.19 1.61 1.02 -1.26 -4.35 120.64 116.74 1ddm n GLU 185 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1ddm n GLU 185 Cb 0.17 -0.15 0.70 0.00 -0.02 0.00 0.00 31.44 32.14 1ddm n GLU 185 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1ddm h ARG 186 N 0.00 0.00 0.00 3.49 -0.00 -1.94 -0.22 114.38 115.71 1ddm h ARG 186 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.91 1ddm h ARG 186 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.12 1ddm h ARG 186 CO 0.00 0.00 -0.94 1.28 -0.00 0.00 0.00 179.97 180.31 1ddm n LEU 187 N -2.40 0.80 0.03 0.08 4.32 -1.26 -4.41 117.00 114.15 1ddm n LEU 187 Ca -0.02 0.12 -0.12 0.00 -0.02 0.00 0.00 56.01 55.98 1ddm n LEU 187 Cb 0.04 -0.29 -0.07 0.00 -1.62 0.00 0.00 43.42 41.48 1ddm n LEU 187 CO 0.11 -0.16 0.86 -1.28 -1.22 0.00 0.00 177.39 175.70 1ddm h SER 188 N -0.24 0.01 0.00 -1.43 0.87 -1.75 -1.58 113.55 109.43 1ddm h SER 188 Ca -0.11 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1ddm h SER 188 Cb 0.80 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1ddm h SER 188 CO -0.06 0.04 0.00 1.57 -0.53 0.00 0.00 176.83 177.85 1ddm n HIS 189 N -5.07 0.00 -0.09 2.24 -0.00 -0.10 -2.81 115.22 109.40 1ddm n HIS 189 Ca -0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.50 1ddm n HIS 189 Cb 0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.99 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 -0.55 1.37 0.26 1.57 0.00 -0.64 -4.53 120.51 118.00 1ddm n ALA 190 Ca 0.02 -0.78 0.12 0.00 0.00 0.00 0.00 53.44 52.80 1ddm n ALA 190 Cb 0.01 0.13 0.73 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.82 0.61 0.00 0.00 3.04 -1.46 -1.80 116.25 115.81 1ddm h VAL 191 Ca -0.25 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 1ddm h VAL 191 Cb 1.12 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 1ddm h VAL 191 CO -0.15 0.11 0.00 1.23 -1.01 0.00 0.00 177.57 177.74 1ddm h GLY 192 N 0.70 0.00 -2.34 3.17 0.00 -1.76 -0.62 103.07 102.23 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 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1ddm n ALA 194 N 1.33 1.26 -0.14 0.00 0.00 -0.24 -4.24 120.51 118.48 1ddm n ALA 194 Ca 0.21 -0.71 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 1ddm n ALA 194 Cb 0.58 -0.76 -0.00 0.00 0.00 0.00 0.00 19.45 19.27 1ddm n ALA 194 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1ddm h PHE 195 N 0.03 0.58 0.00 0.00 0.04 -1.76 -1.94 116.94 113.89 1ddm h PHE 195 Ca -0.35 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.40 1ddm h PHE 195 Cb 2.03 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 40.00 1ddm h PHE 195 CO 0.03 0.46 0.07 0.00 -0.60 0.00 0.00 178.31 178.28 1ddm h ALA 196 N 1.06 1.05 0.00 2.45 0.00 -1.82 0.21 119.26 122.22 1ddm h ALA 196 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 1ddm h ALA 196 Cb 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1ddm h ALA 196 CO -0.02 -0.05 -1.80 0.28 0.00 0.00 0.00 179.25 177.66 1ddm n VAL 197 N -2.40 1.32 0.15 0.00 0.31 -0.76 -3.08 118.33 113.87 1ddm n VAL 197 Ca -0.02 -0.76 0.02 0.00 -0.01 0.00 0.00 64.34 63.57 1ddm n VAL 197 Cb 0.11 -0.73 0.17 0.00 -0.91 0.00 0.00 33.84 32.48 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 -3.50 3.56 0.14 0.00 -0.00 -0.98 -4.73 117.00 111.49 1ddm n LEU 199 Ca 0.00 -2.70 -0.05 0.00 -0.00 0.00 0.00 56.01 53.26 1ddm n LEU 199 Cb 0.64 -0.44 -0.03 0.00 -0.00 0.00 0.00 43.42 43.59 1ddm n LEU 199 CO 0.40 0.69 0.43 -0.08 -0.00 0.00 0.00 177.39 178.83 1ddm h GLU 200 N 1.83 -0.34 0.00 1.47 4.81 -1.50 -3.50 114.58 117.36 1ddm h GLU 200 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ddm h GLU 200 Cb 1.21 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1ddm h GLU 200 CO 0.15 -0.23 0.00 0.54 -0.73 0.00 0.00 179.01 178.74