#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 1.15 0.29 1.57 6.02 -1.26 -4.50 117.38 120.65 1ddm n GLN 68 Ca 0.00 0.04 0.16 0.00 -0.01 0.00 0.00 57.00 57.20 1ddm n GLN 68 Cb 0.00 -1.30 0.88 0.00 1.02 0.00 0.00 30.24 30.84 1ddm n GLN 68 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1ddm h TRP 69 N 0.00 0.00 0.00 1.08 6.55 -2.02 -1.32 115.95 120.23 1ddm h TRP 69 Ca -0.32 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.46 1ddm h TRP 69 Cb 1.61 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.90 1ddm h TRP 69 CO 0.01 0.05 -0.28 1.96 -1.05 0.00 0.00 178.44 179.14 1ddm h GLN 70 N 0.00 0.00 0.00 0.49 1.08 -2.01 -0.79 115.11 113.88 1ddm h GLN 70 Ca -0.00 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 1ddm h GLN 70 Cb 0.22 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1ddm h GLN 70 CO 0.01 0.28 -1.76 0.00 -0.95 0.00 0.00 178.83 176.40 1ddm n ALA 71 N -2.27 2.23 0.10 3.87 0.00 -0.57 -4.17 120.51 119.70 1ddm n ALA 71 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1ddm n ALA 71 Cb 0.44 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 1ddm n ALA 71 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1ddm h ASP 72 N 0.00 0.00 0.24 0.00 3.58 -1.21 -2.40 116.42 116.63 1ddm h ASP 72 Ca -0.17 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.24 1ddm h ASP 72 Cb 1.44 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.48 1ddm h ASP 72 CO 0.02 0.61 -0.22 -0.33 -2.88 0.00 0.00 179.24 176.44 1ddm h GLU 73 N 0.00 0.00 0.00 0.28 3.07 -1.31 -2.56 114.58 114.06 1ddm h GLU 73 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1ddm h GLU 73 Cb 1.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.41 1ddm h GLU 73 CO 0.07 0.22 -1.70 0.39 -1.40 0.00 0.00 179.01 176.58 1ddm n GLU 74 N -4.21 0.48 -0.06 2.33 1.02 -1.23 -4.46 120.64 114.51 1ddm n GLU 74 Ca -0.02 -0.14 -0.07 0.00 -0.02 0.00 0.00 57.16 56.91 1ddm n GLU 74 Cb 0.28 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 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 2.27 0.04 -0.64 0.62 0.00 -0.99 -1.36 119.26 119.20 1ddm h ALA 75 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ddm h ALA 75 Cb 0.87 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1ddm h ALA 75 CO 0.00 -0.57 0.39 0.28 0.00 0.00 0.00 179.25 179.35 1ddm h VAL 76 N -0.14 1.06 -0.96 0.00 2.07 -1.77 -1.75 116.25 114.76 1ddm h VAL 76 Ca 0.14 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.52 1ddm h VAL 76 Cb 0.35 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.28 1ddm h VAL 76 CO -0.35 0.14 0.61 0.03 0.02 0.00 0.00 177.57 178.02 1ddm h ARG 77 N 0.76 0.91 0.00 1.57 3.08 -1.54 -2.77 114.38 116.38 1ddm h ARG 77 Ca 0.26 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1ddm h ARG 77 Cb 0.05 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1ddm h ARG 77 CO -0.12 0.60 0.00 0.43 -1.07 0.00 0.00 179.97 179.82 1ddm n SER 78 N -4.57 0.00 0.00 7.04 7.64 -0.60 -4.86 113.62 118.26 1ddm n SER 78 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1ddm n SER 78 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 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 -0.95 -4.71 120.51 108.27 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 -0.31 -0.39 0.00 -1.32 -0.90 -4.24 115.64 108.47 1ddm s THR 80 Ca 0.00 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.60 1ddm s THR 80 Cb 0.00 -0.41 0.39 0.00 -1.51 0.00 0.00 72.50 70.97 1ddm s THR 80 CO 0.00 0.00 0.88 0.00 -2.21 0.00 0.00 174.62 173.29 1ddm n SER 82 N -0.01 0.00 -1.25 0.00 7.64 -1.25 -4.22 113.62 114.53 1ddm n SER 82 Ca 0.22 -0.30 -0.01 0.00 1.01 0.00 0.00 58.87 59.78 1ddm n SER 82 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1ddm n SER 82 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ddm n PHE 83 N 0.00 -1.02 -1.52 1.43 3.72 -1.01 -4.84 117.46 114.22 1ddm n PHE 83 Ca 0.00 -0.27 -0.41 0.00 -0.05 0.00 0.00 57.45 56.72 1ddm n PHE 83 Cb 0.00 0.11 0.02 0.00 -0.94 0.00 0.00 39.48 38.67 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 -1.34 -0.06 -3.80 4.37 2.88 -1.26 -2.04 113.62 112.38 1ddm n SER 84 Ca -0.01 0.92 -0.13 0.00 -1.33 0.00 0.00 58.87 58.31 1ddm n SER 84 Cb 0.08 -1.22 -0.08 0.00 -0.75 0.00 0.00 64.21 62.24 1ddm n SER 84 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1ddm s VAL 85 N -1.44 0.00 -0.56 2.46 -7.23 -0.40 -2.32 120.40 110.90 1ddm s VAL 85 Ca 0.65 -1.81 0.06 0.00 -1.81 0.00 0.00 61.98 59.07 1ddm s VAL 85 Cb -0.55 -2.47 0.33 0.00 0.56 0.00 0.00 36.38 34.25 1ddm s VAL 85 CO 0.56 0.00 0.90 0.29 -0.31 0.00 0.00 175.10 176.54 1ddm n LYS 86 N -0.42 2.90 -1.54 4.82 5.02 -0.48 -3.28 118.16 125.18 1ddm n LYS 86 Ca 0.02 -4.67 -0.29 0.00 -2.02 0.00 0.00 58.31 51.35 1ddm n LYS 86 Cb 0.64 -2.17 -0.08 0.00 -0.02 0.00 0.00 35.03 33.39 1ddm n LYS 86 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ddm n TYR 87 N -0.06 1.04 0.16 2.13 4.01 -1.00 -3.55 117.16 119.89 1ddm n TYR 87 Ca 0.30 0.12 0.04 0.00 -0.16 0.00 0.00 57.90 58.20 1ddm n TYR 87 Cb 0.42 -2.35 0.47 0.00 -0.31 0.00 0.00 39.34 37.57 1ddm n TYR 87 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1ddm h LEU 88 N 18.09 0.15 0.00 7.72 3.38 -1.69 -0.45 115.31 142.52 1ddm h LEU 88 Ca -0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1ddm h LEU 88 Cb 1.19 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1ddm h LEU 88 CO 1.21 0.26 0.00 0.61 0.09 0.00 0.00 178.44 180.61 1ddm n GLY 89 N -1.10 0.54 3.59 0.83 0.00 -1.21 -3.49 105.19 104.36 1ddm n GLY 89 Ca -0.01 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 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 1.58 1.99 -0.27 0.00 -7.23 -0.93 -4.93 120.40 110.60 1ddm s VAL 91 Ca -0.10 -1.04 -0.29 0.00 -1.81 0.00 0.00 61.98 58.75 1ddm s VAL 91 Cb -0.05 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 1ddm s VAL 91 CO -0.19 0.56 1.71 -1.83 -0.31 0.00 0.00 175.10 175.04 1ddm s GLU 92 N -0.23 3.59 0.48 4.82 1.03 -1.26 -1.80 118.70 125.32 1ddm s GLU 92 Ca -0.01 1.56 0.08 0.00 0.03 0.00 0.00 54.97 56.63 1ddm s GLU 92 Cb -0.13 -4.11 0.03 0.00 -0.80 0.00 0.00 34.13 29.11 1ddm s GLU 92 CO 0.03 -1.55 0.55 0.14 -1.33 0.00 0.00 175.26 173.09 1ddm s VAL 93 N 5.97 2.46 -0.58 1.83 -7.23 -0.25 -4.95 120.40 117.64 1ddm s VAL 93 Ca 0.76 -1.18 0.06 0.00 -1.81 0.00 0.00 61.98 59.81 1ddm s VAL 93 Cb -0.24 -2.64 0.30 0.00 0.56 0.00 0.00 36.38 34.36 1ddm s VAL 93 CO 0.32 0.00 0.83 0.33 -0.31 0.00 0.00 175.10 176.27 1ddm n PHE 94 N -1.85 3.45 0.00 2.82 -0.00 -1.26 -4.55 117.46 116.06 1ddm n PHE 94 Ca 0.07 -4.03 0.00 0.00 -0.00 0.00 0.00 57.45 53.49 1ddm n PHE 94 Cb 0.61 -0.51 0.00 0.00 -0.00 0.00 0.00 39.48 39.59 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 0.31 0.00 -0.98 -4.13 1.02 -1.26 -5.00 120.64 110.59 1ddm n GLU 95 Ca 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1ddm n GLU 95 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 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 0.00 -5.30 -2.60 1.62 3.41 -1.26 -4.67 113.62 104.83 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 -2.97 0.07 0.00 -0.26 0.00 0.00 64.21 61.05 1ddm n SER 96 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1ddm n ARG 97 N 0.25 0.83 0.00 4.33 1.85 -1.26 -4.88 116.66 117.78 1ddm n ARG 97 Ca 0.00 -1.27 0.00 0.00 -1.00 0.00 0.00 57.85 55.58 1ddm n ARG 97 Cb 0.40 0.04 0.00 0.00 -1.05 0.00 0.00 32.46 31.85 1ddm n ARG 97 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ddm n GLY 98 N -0.67 2.81 0.00 2.89 0.00 -1.26 -5.09 105.19 103.87 1ddm n GLY 98 Ca -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.93 117.12 112.54 1ddm n MET 99 Ca 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 57.70 58.02 1ddm n MET 99 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 33.22 32.29 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 -1.45 2.08 0.00 2.12 6.02 -1.26 -5.03 117.38 119.87 1ddm n GLN 100 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1ddm n GLN 100 Cb 0.00 -0.34 0.00 0.00 1.02 0.00 0.00 30.24 30.92 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 -0.24 0.00 0.25 5.09 0.31 -1.26 -4.68 118.33 117.80 1ddm n VAL 101 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 1ddm n VAL 101 Cb 0.00 0.00 0.65 0.00 -0.91 0.00 0.00 33.84 33.58 1ddm n VAL 101 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddm h GLU 103 N 0.00 0.00 0.00 0.00 4.81 -1.88 -2.56 114.58 114.96 1ddm h GLU 103 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ddm h GLU 103 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1ddm h GLU 103 CO 0.02 0.00 -1.00 0.39 -0.73 0.00 0.00 179.01 177.69 1ddm n GLU 104 N -2.79 0.00 -0.17 1.92 1.02 -0.82 -4.71 120.64 115.09 1ddm n GLU 104 Ca -0.02 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.09 1ddm n GLU 104 Cb 0.08 -0.77 0.07 0.00 -0.02 0.00 0.00 31.44 30.80 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 0.65 -0.74 0.62 0.00 -1.18 -1.19 119.26 117.43 1ddm h ALA 105 Ca 0.00 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.13 1ddm h ALA 105 Cb 1.00 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1ddm h ALA 105 CO 0.00 -0.20 0.50 1.25 0.00 0.00 0.00 179.25 180.80 1ddm h LEU 106 N 0.38 0.34 -0.03 0.00 5.85 -1.69 -1.74 115.31 118.43 1ddm h LEU 106 Ca 0.25 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.88 1ddm h LEU 106 Cb 0.27 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.26 1ddm h LEU 106 CO -0.25 0.18 -0.42 0.50 -0.34 0.00 0.00 178.44 178.11 1ddm h LYS 107 N 0.36 0.33 -0.35 1.25 1.63 -1.47 -2.46 116.57 115.87 1ddm h LYS 107 Ca 0.36 -0.32 0.10 0.00 -0.85 0.00 0.00 60.65 59.94 1ddm h LYS 107 Cb 0.89 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.59 1ddm h LYS 107 CO -0.11 1.00 0.25 0.28 -3.45 0.00 0.00 179.45 177.42 1ddm h VAL 108 N -0.21 0.83 0.00 2.00 2.07 -0.69 0.36 116.25 120.61 1ddm h VAL 108 Ca -0.04 -0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 1ddm h VAL 108 Cb 1.12 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1ddm h VAL 108 CO 0.08 0.00 -1.04 -0.07 0.02 0.00 0.00 177.57 176.57 1ddm h LEU 109 N 0.01 0.00 -0.00 2.57 3.38 -1.45 -3.28 115.31 116.54 1ddm h LEU 109 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ddm h LEU 109 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ddm h LEU 109 CO -0.00 0.35 -0.12 -2.11 0.09 0.00 0.00 178.44 176.65 1ddm n ARG 110 N -2.90 0.01 0.07 1.13 1.85 -0.01 -4.03 116.66 112.77 1ddm n ARG 110 Ca -0.04 -0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.77 1ddm n ARG 110 Cb 0.71 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.61 1ddm n ARG 110 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 1ddm h GLN 111 N 0.00 -0.23 0.00 2.89 4.20 -1.26 -3.51 115.11 117.20 1ddm h GLN 111 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ddm h GLN 111 Cb 0.50 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1ddm h GLN 111 CO 0.00 -0.15 0.00 0.45 -0.67 0.00 0.00 178.83 178.46 1ddm n SER 112 N -4.14 0.00 0.00 1.46 2.88 -1.26 -5.04 113.62 107.52 1ddm n SER 112 Ca -0.03 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 56.68 1ddm n SER 112 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 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 -2.72 -1.46 3.00 -1.26 -4.70 116.66 109.51 1ddm n ARG 113 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.42 1ddm n ARG 113 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 1ddm n ARG 113 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1ddm s ARG 114 N 0.00 3.51 0.36 5.56 1.81 -1.26 -5.01 118.95 123.92 1ddm s ARG 114 Ca 0.00 -1.26 -0.27 0.00 -1.72 0.00 0.00 55.73 52.48 1ddm s ARG 114 Cb 0.00 -4.99 -0.09 0.00 -0.45 0.00 0.00 34.95 29.42 1ddm s ARG 114 CO 0.00 -2.01 1.23 -0.98 -0.68 0.00 0.00 175.30 172.86 1ddm s ARG 115 N 4.11 4.25 0.10 3.54 1.70 -1.23 -4.59 118.95 126.82 1ddm s ARG 115 Ca 0.38 2.02 -0.30 0.00 -0.47 0.00 0.00 55.73 57.36 1ddm s ARG 115 Cb -0.04 -2.92 -0.06 0.00 -0.57 0.00 0.00 34.95 31.37 1ddm s ARG 115 CO -0.06 -0.21 1.05 -1.25 -1.08 0.00 0.00 175.30 173.75 1ddm s PRO 116 N -1.96 4.59 -0.02 3.89 0.04 -1.26 -4.49 135.00 135.80 1ddm s PRO 116 Ca 0.52 1.57 -0.07 0.00 0.04 0.00 0.00 61.00 63.07 1ddm s PRO 116 Cb -0.35 -3.36 -0.05 0.00 0.04 0.00 0.00 34.50 30.78 1ddm s PRO 116 CO 0.46 0.04 0.24 0.08 0.04 0.00 0.00 177.00 177.86 1ddm s VAL 117 N 0.33 5.34 -0.42 -0.36 1.01 -0.18 -4.86 120.40 121.27 1ddm s VAL 117 Ca 0.51 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.53 1ddm s VAL 117 Cb -0.26 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1ddm s VAL 117 CO 0.31 0.42 0.30 -0.60 0.00 0.00 0.00 175.10 175.53 1ddm s ARG 118 N -1.59 2.90 0.36 2.72 3.52 -1.26 -2.38 118.95 123.22 1ddm s ARG 118 Ca 0.25 -1.17 -0.05 0.00 -0.13 0.00 0.00 55.73 54.63 1ddm s ARG 118 Cb -0.13 -3.94 0.02 0.00 -1.56 0.00 0.00 34.95 29.33 1ddm s ARG 118 CO 0.14 -0.84 0.55 0.20 -0.81 0.00 0.00 175.30 174.54 1ddm s GLY 119 N 1.94 1.28 -0.31 8.12 0.00 -1.21 -1.25 107.32 115.90 1ddm s GLY 119 Ca 0.04 -1.37 -0.12 0.00 0.00 0.00 0.00 44.72 43.27 1ddm s GLY 119 CO 0.08 -0.85 0.23 -2.27 0.00 0.00 0.00 173.10 170.28 1ddm s LEU 120 N -3.21 4.23 -0.01 0.66 1.98 0.57 -1.27 118.68 121.63 1ddm s LEU 120 Ca 0.27 -0.16 -0.15 0.00 -2.89 0.00 0.00 54.13 51.19 1ddm s LEU 120 Cb -0.02 -2.15 -0.06 0.00 0.66 0.00 0.00 46.19 44.63 1ddm s LEU 120 CO 0.19 -0.14 0.43 -0.22 -1.89 0.00 0.00 176.35 174.71 1ddm s LEU 121 N 1.77 4.45 -0.30 -0.68 2.96 -0.86 -1.49 118.68 124.53 1ddm s LEU 121 Ca 0.07 0.96 0.02 0.00 -0.22 0.00 0.00 54.13 54.96 1ddm s LEU 121 Cb -0.17 -2.62 0.09 0.00 0.50 0.00 0.00 46.19 43.99 1ddm s LEU 121 CO 0.11 0.28 0.01 -1.00 -1.32 0.00 0.00 176.35 174.43 1ddm s HIS 122 N -0.83 2.99 -0.57 5.38 3.76 -0.46 -2.41 115.29 123.15 1ddm s HIS 122 Ca 0.24 -2.38 -0.27 0.00 -0.15 0.00 0.00 55.06 52.50 1ddm s HIS 122 Cb -0.17 -2.25 -0.01 0.00 1.11 0.00 0.00 32.58 31.27 1ddm s HIS 122 CO 0.13 -0.89 1.72 0.08 -0.85 0.00 0.00 174.74 174.93 1ddm s VAL 123 N 1.18 3.49 -0.27 -0.90 1.01 -1.26 -2.43 120.40 121.21 1ddm s VAL 123 Ca 0.04 0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 1ddm s VAL 123 Cb -0.19 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1ddm s VAL 123 CO -0.10 -0.96 0.09 -0.55 0.00 0.00 0.00 175.10 173.57 1ddm s SER 124 N 6.73 5.23 0.41 3.32 0.15 -1.26 0.04 113.70 128.31 1ddm s SER 124 Ca 0.63 -0.38 0.18 0.00 0.70 0.00 0.00 55.95 57.08 1ddm s SER 124 Cb -0.13 -1.93 0.96 0.00 -1.71 0.00 0.00 66.02 63.21 1ddm s SER 124 CO 0.23 -0.10 1.47 1.23 1.20 0.00 0.00 173.24 177.27 1ddm h GLY 125 N 8.26 0.00 -3.00 9.45 0.00 -1.77 0.27 103.07 116.29 1ddm h GLY 125 Ca -0.36 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.58 1ddm h GLY 125 CO 0.59 0.00 -0.06 1.34 0.00 0.00 0.00 176.54 178.42 1ddm n ASP 126 N -2.27 4.20 0.00 0.19 -0.08 -1.26 -4.63 116.55 112.70 1ddm n ASP 126 Ca -0.01 -3.78 0.00 0.00 -1.51 0.00 0.00 54.79 49.49 1ddm n ASP 126 Cb 0.32 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.15 1ddm n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ddm n GLY 127 N -0.98 2.14 3.62 0.27 0.00 0.95 -4.94 105.19 106.25 1ddm n GLY 127 Ca 0.44 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 2.26 -0.22 0.99 1.43 -0.80 -4.18 118.68 118.17 1ddm s LEU 128 Ca 0.00 2.02 -0.07 0.00 -1.03 0.00 0.00 54.13 55.05 1ddm s LEU 128 Cb 0.00 -4.26 0.10 0.00 0.03 0.00 0.00 46.19 42.06 1ddm s LEU 128 CO 0.00 -3.47 0.46 -0.60 0.23 0.00 0.00 176.35 172.97 1ddm s ARG 129 N -4.58 0.37 -0.18 1.70 3.00 -1.02 -3.62 118.95 114.62 1ddm s ARG 129 Ca 0.67 1.11 -0.05 0.00 -1.00 0.00 0.00 55.73 56.46 1ddm s ARG 129 Cb -0.24 0.42 -0.03 0.00 0.00 0.00 0.00 34.95 35.11 1ddm s ARG 129 CO 0.60 -0.25 0.01 0.08 0.00 0.00 0.00 175.30 175.74 1ddm s VAL 130 N 2.66 4.20 0.22 7.11 1.01 -0.75 -1.36 120.40 133.50 1ddm s VAL 130 Ca -0.02 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 61.82 1ddm s VAL 130 Cb -0.12 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1ddm s VAL 130 CO -0.14 0.46 -0.13 -0.69 0.00 0.00 0.00 175.10 174.59 1ddm s VAL 131 N 0.61 2.91 0.23 2.92 1.01 -0.56 -2.28 120.40 125.24 1ddm s VAL 131 Ca -0.00 -1.92 -0.13 0.00 0.00 0.00 0.00 61.98 59.93 1ddm s VAL 131 Cb -0.14 -2.47 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 1ddm s VAL 131 CO 0.02 -0.21 0.61 -1.81 0.00 0.00 0.00 175.10 173.71 1ddm s ASP 132 N -3.05 6.75 -0.22 3.32 1.11 -1.19 -0.31 116.67 123.07 1ddm s ASP 132 Ca 0.26 1.09 0.14 0.00 0.18 0.00 0.00 52.55 54.22 1ddm s ASP 132 Cb -0.07 -2.29 0.79 0.00 1.07 0.00 0.00 42.92 42.41 1ddm s ASP 132 CO 0.15 -0.05 1.70 0.47 1.18 0.00 0.00 175.17 178.61 1ddm n ASP 133 N 0.11 5.54 0.00 0.27 8.00 -0.38 -1.50 116.55 128.58 1ddm n ASP 133 Ca -0.00 -2.88 0.00 0.00 0.71 0.00 0.00 54.79 52.62 1ddm n ASP 133 Cb 0.52 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1ddm n ASP 133 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ddm n GLU 134 N 0.62 0.34 0.00 -1.24 0.00 -1.26 -4.89 120.64 114.22 1ddm n GLU 134 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.42 1ddm n GLU 134 Cb 1.15 -0.06 0.00 0.00 0.00 0.00 0.00 31.44 32.53 1ddm n GLU 134 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1ddm n THR 135 N -0.05 0.00 -2.18 6.31 5.66 -1.26 -5.01 114.28 117.75 1ddm n THR 135 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 1ddm n THR 135 Cb 0.02 0.28 -0.03 0.00 -1.55 0.00 0.00 70.33 69.05 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 0.00 -1.61 0.00 1.09 4.76 -0.57 -4.91 118.16 116.93 1ddm n LYS 136 Ca 0.00 1.07 0.00 0.00 -2.87 0.00 0.00 58.31 56.51 1ddm n LYS 136 Cb 0.00 -5.66 0.00 0.00 -1.84 0.00 0.00 35.03 27.53 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 -0.85 -1.58 3.07 0.72 0.00 -1.26 -4.47 105.19 100.82 1ddm n GLY 137 Ca -0.24 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 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 2.09 -0.21 0.99 2.96 -1.26 -3.19 118.68 120.06 1ddm s LEU 138 Ca 0.00 -0.67 -0.16 0.00 -0.22 0.00 0.00 54.13 53.08 1ddm s LEU 138 Cb 0.00 -1.36 -0.09 0.00 0.50 0.00 0.00 46.19 45.24 1ddm s LEU 138 CO 0.00 -0.05 -0.24 -0.38 -1.32 0.00 0.00 176.35 174.36 1ddm n ILE 139 N 4.67 1.50 -3.68 6.68 5.41 -0.97 -4.97 119.36 128.00 1ddm n ILE 139 Ca -0.18 -0.04 -0.22 0.00 1.00 0.00 0.00 62.75 63.31 1ddm n ILE 139 Cb 0.49 -2.16 -0.18 0.00 -0.71 0.00 0.00 39.64 37.08 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 -2.59 -0.02 -0.64 1.39 1.01 -1.26 -5.02 120.40 113.28 1ddm s VAL 140 Ca -0.30 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1ddm s VAL 140 Cb 0.08 -0.30 0.22 0.00 0.00 0.00 0.00 36.38 36.37 1ddm s VAL 140 CO 0.44 0.10 0.63 -0.67 0.00 0.00 0.00 175.10 175.60 1ddm n ASP 141 N 5.27 3.11 -1.00 3.32 -0.08 -1.26 -1.80 116.55 124.11 1ddm n ASP 141 Ca -0.04 -3.27 0.00 0.00 -1.51 0.00 0.00 54.79 49.96 1ddm n ASP 141 Cb 0.50 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 43.26 1ddm n ASP 141 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ddm n GLN 142 N 1.36 2.97 -4.36 -0.67 6.02 -1.24 -5.02 117.38 116.44 1ddm n GLN 142 Ca 0.26 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.95 1ddm n GLN 142 Cb 0.40 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.61 1ddm n GLN 142 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1ddm s THR 143 N 0.04 1.49 -0.22 5.09 2.01 -1.26 -1.90 115.64 120.90 1ddm s THR 143 Ca 0.00 -1.78 -0.05 0.00 0.31 0.00 0.00 61.69 60.17 1ddm s THR 143 Cb 0.00 -2.27 -0.19 0.00 0.01 0.00 0.00 72.50 70.05 1ddm s THR 143 CO 0.00 0.00 -0.03 -0.38 -0.69 0.00 0.00 174.62 173.52 1ddm n ILE 144 N -1.44 1.59 0.98 1.82 5.41 -1.26 -4.07 119.36 122.39 1ddm n ILE 144 Ca -0.10 -0.52 0.14 0.00 1.00 0.00 0.00 62.75 63.26 1ddm n ILE 144 Cb 0.66 -1.64 0.56 0.00 -0.71 0.00 0.00 39.64 38.51 1ddm n ILE 144 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1ddm n GLU 145 N -3.57 0.01 0.03 0.38 0.28 -1.26 -3.56 120.64 112.95 1ddm n GLU 145 Ca -0.42 0.01 -0.19 0.00 -0.16 0.00 0.00 57.16 56.40 1ddm n GLU 145 Cb 0.97 -1.51 -0.12 0.00 1.43 0.00 0.00 31.44 32.20 1ddm n GLU 145 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1ddm h LYS 146 N 0.00 0.44 -7.18 3.44 3.64 -1.99 -3.46 116.57 111.47 1ddm h LYS 146 Ca 0.00 -0.54 -0.51 0.00 -1.27 0.00 0.00 60.65 58.33 1ddm h LYS 146 Cb 0.51 0.17 0.09 0.00 -0.41 0.00 0.00 32.23 32.59 1ddm h LYS 146 CO 0.00 1.19 0.38 0.14 -2.27 0.00 0.00 179.45 178.90 1ddm s VAL 147 N -3.02 3.30 0.01 2.00 -7.23 -1.23 -4.98 120.40 109.25 1ddm s VAL 147 Ca -0.12 0.64 -0.05 0.00 -1.81 0.00 0.00 61.98 60.63 1ddm s VAL 147 Cb 0.03 -3.16 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 1ddm s VAL 147 CO 0.85 -0.34 1.08 0.28 -0.31 0.00 0.00 175.10 176.66 1ddm h SER 148 N 0.26 -0.22 -3.06 4.85 0.02 -1.77 -3.45 113.55 110.18 1ddm h SER 148 Ca -0.47 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.44 1ddm h SER 148 Cb 1.25 0.08 -0.24 0.00 0.14 0.00 0.00 62.40 63.62 1ddm h SER 148 CO 0.55 -0.10 -0.17 0.72 -1.14 0.00 0.00 176.83 176.69 1ddm s PHE 149 N -3.42 -0.82 -0.58 3.45 -0.12 -1.26 -5.07 117.98 110.16 1ddm s PHE 149 Ca -0.03 1.67 -0.24 0.00 -0.05 0.00 0.00 56.93 58.28 1ddm s PHE 149 Cb 0.01 0.43 0.04 0.00 -0.63 0.00 0.00 43.02 42.88 1ddm s PHE 149 CO 0.09 -0.44 0.99 0.00 -0.05 0.00 0.00 175.22 175.81 1ddm s ALA 151 N 4.16 2.31 0.00 0.00 0.00 -1.25 -5.02 121.76 121.97 1ddm s ALA 151 Ca 0.31 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1ddm s ALA 151 Cb -0.12 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1ddm s ALA 151 CO 0.18 0.36 0.06 -0.35 0.00 0.00 0.00 175.76 176.02 1ddm n PRO 152 N 3.16 0.00 -1.07 0.00 -0.04 -1.26 -1.81 135.00 133.98 1ddm n PRO 152 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1ddm n PRO 152 Cb 0.52 -0.36 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 1ddm n PRO 152 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ddm n ASP 153 N -0.13 0.00 0.11 3.54 -0.08 -1.15 -2.83 116.55 116.01 1ddm n ASP 153 Ca 0.00 -0.62 0.11 0.00 -1.51 0.00 0.00 54.79 52.77 1ddm n ASP 153 Cb 0.00 0.00 0.46 0.00 2.34 0.00 0.00 41.12 43.92 1ddm n ASP 153 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1ddm n ARG 154 N 0.00 0.17 0.11 -0.67 1.85 -1.26 -4.71 116.66 112.15 1ddm n ARG 154 Ca 0.00 0.38 0.00 0.00 -1.00 0.00 0.00 57.85 57.23 1ddm n ARG 154 Cb 0.00 -1.81 0.00 0.00 -1.05 0.00 0.00 32.46 29.60 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 -2.12 -1.96 0.00 2.89 5.15 -1.26 -5.05 115.26 112.90 1ddm n ASN 155 Ca 0.03 0.52 0.00 0.00 -0.60 0.00 0.00 54.58 54.53 1ddm n ASN 155 Cb 0.23 2.03 0.00 0.00 -0.53 0.00 0.00 39.78 41.52 1ddm n ASN 155 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1ddm n HIS 156 N -2.93 0.00 0.30 1.20 -0.00 -1.26 -5.01 115.22 107.52 1ddm n HIS 156 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 1ddm n HIS 156 Cb 0.00 0.00 0.06 0.00 -0.12 0.00 0.00 29.99 29.93 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 0.00 1.39 -1.45 1.57 4.07 -1.26 -4.79 120.64 120.17 1ddm n GLU 157 Ca 0.00 -0.95 -0.16 0.00 -0.06 0.00 0.00 57.16 55.99 1ddm n GLU 157 Cb 0.00 -1.37 -0.07 0.00 -0.06 0.00 0.00 31.44 29.94 1ddm n GLU 157 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1ddm n ARG 158 N -0.02 -1.41 -4.86 5.31 3.00 -1.26 -4.93 116.66 112.49 1ddm n ARG 158 Ca 0.19 0.97 -0.27 0.00 -0.01 0.00 0.00 57.85 58.73 1ddm n ARG 158 Cb 0.87 -5.27 -0.16 0.00 0.00 0.00 0.00 32.46 27.90 1ddm n ARG 158 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1ddm s GLY 159 N -2.39 0.96 0.01 -0.13 0.00 -1.26 -2.52 107.32 101.98 1ddm s GLY 159 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 44.05 1ddm s GLY 159 CO 0.00 -0.34 -0.12 -1.36 0.00 0.00 0.00 173.10 171.29 1ddm s PHE 160 N 0.09 1.05 -0.19 1.90 0.08 -0.56 -2.91 117.98 117.44 1ddm s PHE 160 Ca -0.05 -0.27 -0.12 0.00 0.12 0.00 0.00 56.93 56.61 1ddm s PHE 160 Cb -0.12 -0.65 0.06 0.00 -0.57 0.00 0.00 43.02 41.74 1ddm s PHE 160 CO 0.03 -0.00 0.48 -1.12 -0.10 0.00 0.00 175.22 174.50 1ddm s SER 161 N -0.68 -0.61 0.34 1.36 0.01 -0.75 -1.26 113.70 112.11 1ddm s SER 161 Ca 0.02 1.03 0.08 0.00 1.31 0.00 0.00 55.95 58.39 1ddm s SER 161 Cb -0.06 0.93 -0.04 0.00 0.21 0.00 0.00 66.02 67.06 1ddm s SER 161 CO 0.00 -0.20 0.21 -0.72 0.41 0.00 0.00 173.24 172.94 1ddm s TYR 162 N 1.31 2.80 0.25 2.43 1.13 -0.72 -3.74 117.35 120.81 1ddm s TYR 162 Ca -0.09 -0.34 0.07 0.00 -1.41 0.00 0.00 57.07 55.30 1ddm s TYR 162 Cb -0.07 -1.70 -0.05 0.00 -1.10 0.00 0.00 41.96 39.03 1ddm s TYR 162 CO -0.13 0.27 -0.08 0.42 -2.51 0.00 0.00 175.55 173.53 1ddm s ILE 163 N -2.37 1.58 -0.30 -3.49 1.09 -1.25 -1.22 121.20 115.24 1ddm s ILE 163 Ca 0.39 -2.14 -0.05 0.00 -1.10 0.00 0.00 60.65 57.75 1ddm s ILE 163 Cb -0.04 -2.29 0.18 0.00 -1.06 0.00 0.00 42.46 39.25 1ddm s ILE 163 CO 0.24 -0.41 0.73 0.00 -0.10 0.00 0.00 174.94 175.40 1ddm n ARG 165 N 5.43 0.36 -0.17 0.00 1.85 -1.26 -1.66 116.66 121.21 1ddm n ARG 165 Ca -0.03 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.66 1ddm n ARG 165 Cb 0.52 0.00 0.15 0.00 -1.05 0.00 0.00 32.46 32.07 1ddm n ARG 165 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1ddm n ASP 166 N -1.09 -2.92 0.00 2.89 5.68 -0.97 -3.67 116.55 116.47 1ddm n ASP 166 Ca 0.00 -0.50 0.00 0.00 -0.50 0.00 0.00 54.79 53.79 1ddm n ASP 166 Cb 0.00 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 1ddm n ASP 166 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ddm n GLY 167 N -2.74 1.17 0.00 6.12 0.00 -1.26 -4.44 105.19 104.04 1ddm n GLY 167 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.81 2.61 5.66 -1.26 -4.93 114.28 113.55 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 0.02 -0.68 1.09 -1.04 -1.24 -4.99 114.28 107.44 1ddm n THR 169 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1ddm n THR 169 Cb 0.00 1.71 0.00 0.00 -1.82 0.00 0.00 70.33 70.22 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 -0.01 -0.23 -3.92 -2.82 5.12 -1.26 -4.81 116.66 108.72 1ddm n ARG 170 Ca 0.00 0.06 0.02 0.00 -1.93 0.00 0.00 57.85 56.00 1ddm n ARG 170 Cb 0.23 -4.10 0.01 0.00 -1.16 0.00 0.00 32.46 27.45 1ddm n ARG 170 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1ddm n ARG 171 N -1.69 0.25 -2.79 5.56 1.85 -1.26 -4.75 116.66 113.84 1ddm n ARG 171 Ca 0.00 -0.87 -0.43 0.00 -1.00 0.00 0.00 57.85 55.56 1ddm n ARG 171 Cb 0.06 1.36 -0.03 0.00 -1.05 0.00 0.00 32.46 32.80 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 -2.07 2.76 -0.16 2.89 0.51 -1.26 -2.28 118.94 119.33 1ddm s TRP 172 Ca 0.28 -0.87 -0.05 0.00 -2.12 0.00 0.00 56.10 53.34 1ddm s TRP 172 Cb -0.01 -4.41 -0.03 0.00 -0.81 0.00 0.00 33.47 28.20 1ddm s TRP 172 CO 0.00 -1.70 -0.00 -1.64 -0.51 0.00 0.00 176.95 173.10 1ddm s MET 173 N 3.94 3.78 -0.29 4.98 -1.94 -0.66 -1.09 119.30 128.01 1ddm s MET 173 Ca 0.33 -0.46 -0.02 0.00 -1.71 0.00 0.00 55.69 53.82 1ddm s MET 173 Cb -0.08 -3.02 0.04 0.00 2.01 0.00 0.00 34.83 33.79 1ddm s MET 173 CO -0.01 0.25 0.00 0.00 -0.01 0.00 0.00 175.02 175.26 1ddm s HIS 175 N 1.28 3.49 0.17 0.00 3.76 -0.36 -2.19 115.29 121.45 1ddm s HIS 175 Ca -0.04 1.26 0.08 0.00 -0.15 0.00 0.00 55.06 56.21 1ddm s HIS 175 Cb -0.19 -2.93 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 1ddm s HIS 175 CO -0.01 -0.10 -0.06 0.20 -0.85 0.00 0.00 174.74 173.92 1ddm s GLY 176 N 1.02 1.73 0.21 -2.22 0.00 -1.10 -1.75 107.32 105.21 1ddm s GLY 176 Ca 0.38 -1.42 -0.22 0.00 0.00 0.00 0.00 44.72 43.47 1ddm s GLY 176 CO 0.16 -1.43 0.97 -0.11 0.00 0.00 0.00 173.10 172.68 1ddm s PHE 177 N -1.68 0.01 0.29 1.90 -0.71 -0.39 -2.29 117.98 115.12 1ddm s PHE 177 Ca 0.26 -0.43 0.04 0.00 -1.04 0.00 0.00 56.93 55.75 1ddm s PHE 177 Cb -0.09 0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 42.39 1ddm s PHE 177 CO 0.16 -1.01 0.19 -0.51 -1.34 0.00 0.00 175.22 172.71 1ddm s LEU 178 N -3.20 1.59 -0.26 -1.99 1.02 -1.23 -1.49 118.68 113.12 1ddm s LEU 178 Ca 0.18 -1.59 -0.08 0.00 0.02 0.00 0.00 54.13 52.65 1ddm s LEU 178 Cb -0.03 0.34 -0.03 0.00 0.02 0.00 0.00 46.19 46.50 1ddm s LEU 178 CO 0.05 -0.94 0.10 0.00 0.02 0.00 0.00 176.35 175.58 1ddm s ALA 179 N -3.66 3.23 -0.61 4.21 0.00 -1.05 -1.38 121.76 122.50 1ddm s ALA 179 Ca 0.38 -1.15 0.22 0.00 0.00 0.00 0.00 51.96 51.41 1ddm s ALA 179 Cb 0.04 -2.17 0.91 0.00 0.00 0.00 0.00 23.12 21.90 1ddm s ALA 179 CO 0.19 -0.54 1.68 0.00 0.00 0.00 0.00 175.76 177.09 1ddm h LYS 181 N 0.00 0.04 -5.28 0.00 1.79 -1.93 -3.50 116.57 107.70 1ddm h LYS 181 Ca 0.00 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1ddm h LYS 181 Cb 0.38 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 1ddm h LYS 181 CO 0.00 0.90 -1.11 -0.25 -1.08 0.00 0.00 179.45 177.91 1ddm n ASP 182 N -3.30 -6.03 0.00 0.86 8.00 -1.02 -4.97 116.55 110.09 1ddm n ASP 182 Ca -0.07 1.30 0.00 0.00 0.71 0.00 0.00 54.79 56.73 1ddm n ASP 182 Cb 0.98 -4.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 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 1.09 0.00 -1.31 -2.24 2.88 -1.26 -5.05 113.62 107.72 1ddm n SER 183 Ca -0.10 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.40 1ddm n SER 183 Cb 0.21 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.69 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 -0.95 0.41 0.00 0.46 0.00 -1.26 -4.92 105.19 98.93 1ddm n GLY 184 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.46 0.00 0.20 1.61 1.02 -1.26 -4.48 120.64 116.27 1ddm n GLU 185 Ca -0.04 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.14 1ddm n GLU 185 Cb 0.52 -0.10 0.41 0.00 -0.02 0.00 0.00 31.44 32.25 1ddm n GLU 185 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ddm h ARG 186 N 0.00 0.00 0.00 3.49 -0.00 -1.96 -3.19 114.38 112.72 1ddm h ARG 186 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.45 1ddm h ARG 186 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 29.97 1ddm h ARG 186 CO 0.00 0.30 -1.10 1.28 0.00 0.00 0.00 179.97 180.46 1ddm n LEU 187 N -4.18 2.37 0.00 3.04 4.32 -1.26 -4.24 117.00 117.05 1ddm n LEU 187 Ca -0.02 -0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1ddm n LEU 187 Cb 0.35 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1ddm n LEU 187 CO 0.38 0.42 0.37 -0.24 -1.22 0.00 0.00 177.39 177.10 1ddm n SER 188 N -2.67 0.00 0.27 -1.43 2.88 -1.26 -0.93 113.62 110.49 1ddm n SER 188 Ca -0.03 0.74 0.16 0.00 -1.33 0.00 0.00 58.87 58.41 1ddm n SER 188 Cb 0.53 -0.24 0.92 0.00 -0.75 0.00 0.00 64.21 64.67 1ddm n SER 188 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1ddm h HIS 189 N 0.00 0.00 0.48 0.66 -0.00 -1.78 -2.37 115.15 112.13 1ddm h HIS 189 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1ddm h HIS 189 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1ddm h HIS 189 CO 0.04 0.00 -0.23 0.00 -0.00 0.00 0.00 177.93 177.75 1ddm h ALA 190 N 1.91 -0.64 -0.43 5.26 0.00 -1.52 -3.12 119.26 120.72 1ddm h ALA 190 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ddm h ALA 190 Cb 0.16 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ddm h ALA 190 CO -0.00 -0.70 0.29 0.28 0.00 0.00 0.00 179.25 179.11 1ddm h VAL 191 N -0.95 1.09 0.00 0.00 2.07 -0.68 -1.11 116.25 116.66 1ddm h VAL 191 Ca -0.07 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1ddm h VAL 191 Cb 0.59 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1ddm h VAL 191 CO 0.11 0.10 0.00 1.23 0.02 0.00 0.00 177.57 179.03 1ddm h GLY 192 N 0.55 0.00 0.00 2.17 0.00 -1.38 0.32 103.07 104.73 1ddm h GLY 192 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1ddm h GLY 192 CO -0.04 0.00 -1.16 0.00 0.00 0.00 0.00 176.54 175.34 1ddm h ALA 194 N 2.41 2.09 0.00 0.00 0.00 -0.83 -0.43 119.26 122.49 1ddm h ALA 194 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1ddm h ALA 194 Cb 0.56 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ddm h ALA 194 CO 0.00 -0.22 -0.84 0.74 0.00 0.00 0.00 179.25 178.93 1ddm h PHE 195 N 0.00 0.00 0.00 0.00 0.04 -1.76 -3.03 116.94 112.18 1ddm h PHE 195 Ca 0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1ddm h PHE 195 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1ddm h PHE 195 CO 0.00 0.72 0.00 0.00 -0.60 0.00 0.00 178.31 178.43 1ddm n ALA 196 N -2.31 1.16 -0.06 2.45 0.00 -0.17 -1.97 120.51 119.61 1ddm n ALA 196 Ca -0.01 0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 1ddm n ALA 196 Cb 0.84 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 1ddm n ALA 196 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ddm n VAL 197 N -1.96 0.77 1.18 0.00 0.31 -1.21 -4.42 118.33 113.01 1ddm n VAL 197 Ca -0.00 -0.45 0.10 0.00 -0.01 0.00 0.00 64.34 63.98 1ddm n VAL 197 Cb 0.06 -0.75 0.58 0.00 -0.91 0.00 0.00 33.84 32.81 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 -1.09 0.00 0.29 0.00 4.77 -0.98 -3.19 117.00 116.80 1ddm n LEU 199 Ca 0.14 0.43 0.14 0.00 -0.03 0.00 0.00 56.01 56.69 1ddm n LEU 199 Cb 0.10 -0.43 0.86 0.00 -2.33 0.00 0.00 43.42 41.62 1ddm n LEU 199 CO 0.13 -0.10 1.09 -0.08 -1.33 0.00 0.00 177.39 177.10 1ddm h GLU 200 N 0.00 0.00 0.00 3.23 4.81 -1.83 -3.53 114.58 117.26 1ddm h GLU 200 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ddm h GLU 200 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1ddm h GLU 200 CO 0.00 0.03 0.00 0.54 -0.73 0.00 0.00 179.01 178.85