#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb n ASP 2 N 0.00 -1.87 -3.69 6.12 5.75 -1.26 -5.03 116.55 116.57 1ddb n ASP 2 Ca 0.00 0.35 -0.12 0.00 -0.01 0.00 0.00 54.79 55.01 1ddb n ASP 2 Cb 0.00 -1.23 -0.09 0.00 -1.03 0.00 0.00 41.12 38.77 1ddb n ASP 2 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1ddb s SER 3 N -2.03 -0.57 -1.05 -1.12 1.04 -1.26 -5.08 113.70 103.63 1ddb s SER 3 Ca 0.58 1.04 -0.04 0.00 0.48 0.00 0.00 55.95 58.01 1ddb s SER 3 Cb -0.22 1.01 0.30 0.00 0.10 0.00 0.00 66.02 67.21 1ddb s SER 3 CO 0.66 -0.19 1.39 1.21 0.98 0.00 0.00 173.24 177.30 1ddb n GLU 4 N 3.31 4.24 -0.04 4.02 2.13 -1.26 -4.66 120.64 128.39 1ddb n GLU 4 Ca -0.17 -4.56 -0.08 0.00 0.66 0.00 0.00 57.16 53.02 1ddb n GLU 4 Cb 0.56 -2.50 -0.14 0.00 0.27 0.00 0.00 31.44 29.64 1ddb n GLU 4 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1ddb n VAL 5 N 1.44 1.48 -1.37 6.31 3.14 -1.26 -5.00 118.33 123.07 1ddb n VAL 5 Ca 0.26 -0.80 0.00 0.00 -2.96 0.00 0.00 64.34 60.84 1ddb n VAL 5 Cb 0.34 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 32.29 1ddb n VAL 5 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1ddb n SER 6 N -2.93 -7.47 -4.90 6.55 2.88 -1.26 -4.78 113.62 101.71 1ddb n SER 6 Ca -0.20 1.25 -0.30 0.00 -1.33 0.00 0.00 58.87 58.30 1ddb n SER 6 Cb 1.05 -4.09 -0.04 0.00 -0.75 0.00 0.00 64.21 60.38 1ddb n SER 6 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ddb s ASN 7 N -3.85 6.22 0.00 -3.46 4.22 -1.26 -4.56 114.94 112.25 1ddb s ASN 7 Ca 0.00 0.20 0.00 0.00 -2.14 0.00 0.00 52.86 50.92 1ddb s ASN 7 Cb 0.00 -1.87 0.00 0.00 1.28 0.00 0.00 41.25 40.66 1ddb s ASN 7 CO 0.00 0.14 0.00 0.61 -2.04 0.00 0.00 177.10 175.81 1ddb n GLY 8 N 0.11 3.11 3.29 0.45 0.00 0.76 -4.50 105.19 108.41 1ddb n GLY 8 Ca -0.06 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 1ddb n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ddb s SER 9 N 1.00 1.69 0.00 1.61 0.15 -1.19 -4.81 113.70 112.15 1ddb s SER 9 Ca 0.00 -1.76 0.00 0.00 0.70 0.00 0.00 55.95 54.89 1ddb s SER 9 Cb 0.00 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1ddb s SER 9 CO 0.00 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 173.99 1ddb n GLY 10 N -0.63 0.74 0.20 9.45 0.00 -1.26 -4.50 105.19 109.19 1ddb n GLY 10 Ca 0.07 -2.32 -0.06 0.00 0.00 0.00 0.00 46.02 43.70 1ddb n GLY 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ddb h LEU 11 N 0.00 -0.35 0.00 0.99 6.46 -1.97 -3.49 115.31 116.95 1ddb h LEU 11 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1ddb h LEU 11 Cb 0.00 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1ddb h LEU 11 CO 0.00 0.09 0.00 0.61 -0.62 0.00 0.00 178.44 178.52 1ddb n GLY 12 N 0.72 0.93 2.66 3.75 0.00 -1.26 -5.00 105.19 106.99 1ddb n GLY 12 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 1ddb n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb n ALA 13 N 0.00 3.18 0.00 4.61 0.00 -1.26 -4.82 120.51 122.22 1ddb n ALA 13 Ca 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 53.44 50.42 1ddb n ALA 13 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1ddb n ALA 13 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ddb n LYS 14 N -0.58 0.00 -0.32 0.00 2.85 -1.26 -4.95 118.16 113.89 1ddb n LYS 14 Ca 0.15 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.50 1ddb n LYS 14 Cb 0.83 0.00 0.29 0.00 -0.65 0.00 0.00 35.03 35.50 1ddb n LYS 14 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ddb h HIS 15 N 0.00 1.02 0.00 5.58 3.86 -1.87 0.62 115.15 124.36 1ddb h HIS 15 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1ddb h HIS 15 Cb 0.00 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.15 1ddb h HIS 15 CO 0.00 0.40 0.11 1.51 0.86 0.00 0.00 177.93 180.81 1ddb n ILE 16 N -4.59 1.36 0.04 2.45 0.13 -1.26 -2.53 119.36 114.95 1ddb n ILE 16 Ca 0.18 0.45 -0.04 0.00 -1.10 0.00 0.00 62.75 62.23 1ddb n ILE 16 Cb 0.38 -1.45 -0.03 0.00 -0.84 0.00 0.00 39.64 37.71 1ddb n ILE 16 CO 0.00 0.00 0.00 0.74 2.80 0.00 0.00 176.55 180.09 1ddb h THR 17 N 0.00 0.00 -1.02 9.51 2.02 -0.09 -0.02 112.91 123.32 1ddb h THR 17 Ca 0.00 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.43 1ddb h THR 17 Cb 0.21 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.53 1ddb h THR 17 CO 0.00 0.00 0.64 0.44 0.37 0.00 0.00 175.52 176.97 1ddb h ASP 18 N -0.21 0.52 -0.28 4.18 5.19 -1.71 1.38 116.42 125.50 1ddb h ASP 18 Ca -0.00 0.09 0.05 0.00 -0.62 0.00 0.00 57.03 56.54 1ddb h ASP 18 Cb 0.21 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1ddb h ASP 18 CO -0.07 0.12 0.19 -0.07 -3.12 0.00 0.00 179.24 176.30 1ddb h LEU 19 N 0.47 0.14 -0.28 1.55 -0.00 -1.36 0.37 115.31 116.21 1ddb h LEU 19 Ca 0.59 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.42 1ddb h LEU 19 Cb 1.35 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.97 1ddb h LEU 19 CO -0.32 0.10 -0.02 0.25 -0.00 0.00 0.00 178.44 178.45 1ddb h LEU 20 N 0.17 0.50 0.76 1.67 7.12 0.37 1.71 115.31 127.60 1ddb h LEU 20 Ca 0.12 -0.33 -0.04 0.00 0.13 0.00 0.00 57.88 57.77 1ddb h LEU 20 Cb 0.28 -0.14 0.01 0.00 -0.53 0.00 0.00 40.66 40.28 1ddb h LEU 20 CO -0.02 0.71 -0.36 1.62 -0.13 0.00 0.00 178.44 180.26 1ddb h VAL 21 N 0.28 0.00 -0.12 1.05 3.04 -0.86 1.21 116.25 120.85 1ddb h VAL 21 Ca 0.08 -0.12 -0.03 0.00 -1.01 0.00 0.00 66.70 65.62 1ddb h VAL 21 Cb 0.46 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.74 1ddb h VAL 21 CO 0.02 0.00 -0.06 0.15 -1.01 0.00 0.00 177.57 176.67 1ddb h PHE 22 N -1.14 0.18 -0.07 3.17 3.04 -1.04 -2.19 116.94 118.89 1ddb h PHE 22 Ca -0.10 -0.01 -0.21 0.00 3.98 0.00 0.00 57.97 61.62 1ddb h PHE 22 Cb 0.78 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.24 1ddb h PHE 22 CO 0.03 0.25 -0.83 0.78 -2.02 0.00 0.00 178.31 176.51 1ddb h GLY 23 N 0.52 0.60 0.80 2.40 0.00 0.27 -2.69 103.07 104.97 1ddb h GLY 23 Ca 0.04 -0.92 -0.03 0.00 0.00 0.00 0.00 47.33 46.41 1ddb h GLY 23 CO 0.01 0.82 -0.49 -2.75 0.00 0.00 0.00 176.54 174.13 1ddb h PHE 24 N 0.35 -1.31 -0.86 5.60 3.04 0.21 0.42 116.94 124.40 1ddb h PHE 24 Ca -0.06 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 61.98 1ddb h PHE 24 Cb 1.44 0.47 -0.08 0.00 2.56 0.00 0.00 35.95 40.35 1ddb h PHE 24 CO 0.07 -0.73 0.49 1.25 -2.02 0.00 0.00 178.31 177.37 1ddb h LEU 25 N -1.19 0.70 -1.65 0.59 5.85 -1.59 0.27 115.31 118.30 1ddb h LEU 25 Ca -0.10 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1ddb h LEU 25 Cb 0.96 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1ddb h LEU 25 CO 0.10 0.39 -0.18 -0.61 -0.34 0.00 0.00 178.44 177.79 1ddb h GLN 26 N 0.81 0.00 0.00 1.25 -0.00 -1.11 3.03 115.11 119.08 1ddb h GLN 26 Ca 0.42 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 59.09 1ddb h GLN 26 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.83 1ddb h GLN 26 CO -0.26 0.18 -0.53 1.03 0.00 0.00 0.00 178.83 179.25 1ddb h SER 27 N 0.00 -1.64 0.00 -0.69 0.87 0.35 -3.34 113.55 109.10 1ddb h SER 27 Ca -0.00 0.18 -0.36 0.00 -1.23 0.00 0.00 61.79 60.38 1ddb h SER 27 Cb 0.32 0.62 -0.06 0.00 -0.44 0.00 0.00 62.40 62.84 1ddb h SER 27 CO 0.02 -0.52 -2.29 -0.24 -0.53 0.00 0.00 176.83 173.27 1ddb n SER 28 N -5.46 1.98 -0.64 6.23 2.88 -1.13 -4.93 113.62 112.56 1ddb n SER 28 Ca -0.07 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1ddb n SER 28 Cb 0.40 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1ddb n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ddb n GLY 29 N 1.99 -1.26 0.05 0.46 0.00 1.01 -5.05 105.19 102.38 1ddb n GLY 29 Ca -0.43 -0.53 -0.00 0.00 0.00 0.00 0.00 46.02 45.06 1ddb n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb s THR 31 N -1.56 -0.19 0.14 0.00 2.01 -1.26 -5.03 115.64 109.75 1ddb s THR 31 Ca -0.00 0.37 -0.31 0.00 0.31 0.00 0.00 61.69 62.05 1ddb s THR 31 Cb -0.00 -0.25 -0.08 0.00 0.01 0.00 0.00 72.50 72.19 1ddb s THR 31 CO 0.01 0.15 1.55 0.03 -0.69 0.00 0.00 174.62 175.66 1ddb h ARG 32 N 8.40 -0.29 -0.04 4.92 -0.00 -1.98 1.05 114.38 126.44 1ddb h ARG 32 Ca -0.13 0.02 0.01 0.00 -0.50 0.00 0.00 59.98 59.38 1ddb h ARG 32 Cb 1.12 0.07 -0.00 0.00 0.00 0.00 0.00 29.97 31.15 1ddb h ARG 32 CO 0.15 -0.19 0.04 0.37 0.00 0.00 0.00 179.97 180.34 1ddb h GLN 33 N -0.30 0.00 0.44 0.04 4.15 -1.98 -2.16 115.11 115.30 1ddb h GLN 33 Ca 0.11 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1ddb h GLN 33 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1ddb h GLN 33 CO -0.67 0.00 -0.21 0.93 -1.93 0.00 0.00 178.83 176.94 1ddb h GLU 34 N 0.00 -0.57 -1.01 1.69 5.08 0.57 0.53 114.58 120.86 1ddb h GLU 34 Ca 0.02 0.04 0.27 0.00 -1.00 0.00 0.00 59.36 58.69 1ddb h GLU 34 Cb 0.10 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 29.35 1ddb h GLU 34 CO -0.00 -0.38 0.60 1.25 -1.00 0.00 0.00 179.01 179.48 1ddb h LEU 35 N -0.87 0.62 -0.06 1.33 6.46 -0.34 3.26 115.31 125.70 1ddb h LEU 35 Ca -0.06 0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1ddb h LEU 35 Cb 0.45 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1ddb h LEU 35 CO 0.10 0.04 -0.07 -0.08 -0.62 0.00 0.00 178.44 177.81 1ddb h GLU 36 N 0.50 0.16 0.34 1.25 4.22 -1.36 2.42 114.58 122.12 1ddb h GLU 36 Ca 0.67 -0.09 -0.02 0.00 0.08 0.00 0.00 59.36 60.00 1ddb h GLU 36 Cb 1.38 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1ddb h GLU 36 CO -0.49 0.62 -0.17 -0.24 -2.18 0.00 0.00 179.01 176.55 1ddb h VAL 37 N -0.29 0.60 -0.26 0.32 3.04 0.33 -0.10 116.25 119.89 1ddb h VAL 37 Ca 0.01 -0.60 -0.05 0.00 -1.01 0.00 0.00 66.70 65.05 1ddb h VAL 37 Cb 0.60 0.88 -0.01 0.00 -2.01 0.00 0.00 31.29 30.75 1ddb h VAL 37 CO 0.02 0.10 -0.03 -0.07 -1.01 0.00 0.00 177.57 176.58 1ddb h LEU 38 N -0.83 0.48 -0.57 3.16 3.38 0.57 -3.05 115.31 118.45 1ddb h LEU 38 Ca -0.05 -0.34 0.11 0.00 0.09 0.00 0.00 57.88 57.69 1ddb h LEU 38 Cb 0.53 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1ddb h LEU 38 CO 0.08 0.70 0.11 1.23 0.09 0.00 0.00 178.44 180.65 1ddb h GLY 39 N 0.24 0.71 0.00 0.83 0.00 0.42 -3.45 103.07 101.82 1ddb h GLY 39 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1ddb h GLY 39 CO 0.02 -0.11 0.00 -2.13 0.00 0.00 0.00 176.54 174.32 1ddb n ARG 40 N -5.13 0.00 -4.42 4.80 0.63 -0.05 -4.72 116.66 107.76 1ddb n ARG 40 Ca 0.08 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.66 1ddb n ARG 40 Cb 0.30 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.11 1ddb n ARG 40 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1ddb s GLU 41 N -0.20 2.98 -0.23 -0.14 2.02 -1.24 -4.29 118.70 117.59 1ddb s GLU 41 Ca 0.00 -0.44 -0.10 0.00 0.02 0.00 0.00 54.97 54.45 1ddb s GLU 41 Cb 0.00 -2.76 -0.05 0.00 0.10 0.00 0.00 34.13 31.42 1ddb s GLU 41 CO 0.00 0.67 0.15 -0.51 0.02 0.00 0.00 175.26 175.59 1ddb s LEU 42 N -0.80 4.09 0.00 1.80 2.01 -1.26 -5.09 118.68 119.43 1ddb s LEU 42 Ca 0.12 0.12 0.00 0.00 0.01 0.00 0.00 54.13 54.38 1ddb s LEU 42 Cb -0.11 -2.09 0.00 0.00 0.01 0.00 0.00 46.19 44.00 1ddb s LEU 42 CO 0.02 0.09 0.00 -0.81 1.01 0.00 0.00 176.35 176.66 1ddb n PRO 43 N 4.14 0.34 -0.95 1.29 -0.04 -1.26 -4.86 135.00 133.65 1ddb n PRO 43 Ca -0.15 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.95 1ddb n PRO 43 Cb 0.52 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.04 1ddb n PRO 43 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1ddb n VAL 44 N -1.13 0.00 -3.14 0.52 3.14 -1.26 -3.42 118.33 113.04 1ddb n VAL 44 Ca 0.00 -0.43 -0.14 0.00 -2.96 0.00 0.00 64.34 60.81 1ddb n VAL 44 Cb 0.00 -0.14 0.07 0.00 -1.06 0.00 0.00 33.84 32.71 1ddb n VAL 44 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ddb n GLN 45 N 1.57 -5.30 -2.71 1.45 1.13 -1.26 -4.98 117.38 107.28 1ddb n GLN 45 Ca -0.00 0.67 -0.04 0.00 -1.94 0.00 0.00 57.00 55.69 1ddb n GLN 45 Cb 0.55 -5.16 0.03 0.00 0.11 0.00 0.00 30.24 25.77 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddb n ALA 46 N -3.54 -2.91 -0.95 -1.58 0.00 -1.22 -5.09 120.51 105.22 1ddb n ALA 46 Ca -0.21 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 1ddb n ALA 46 Cb 0.63 -2.47 -0.09 0.00 0.00 0.00 0.00 19.45 17.51 1ddb n ALA 46 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ddb n TYR 47 N 2.67 0.44 -1.14 0.00 9.36 -1.26 -4.57 117.16 122.65 1ddb n TYR 47 Ca 0.14 0.29 -0.45 0.00 3.32 0.00 0.00 57.90 61.20 1ddb n TYR 47 Cb 0.61 -1.54 -0.06 0.00 -0.63 0.00 0.00 39.34 37.72 1ddb n TYR 47 CO 0.00 0.00 0.00 -2.67 0.22 0.00 0.00 176.86 174.41 1ddb n TRP 48 N 6.50 0.64 -0.95 2.98 4.27 -1.26 -4.74 117.44 124.87 1ddb n TRP 48 Ca 0.42 0.79 -0.35 0.00 -3.89 0.00 0.00 57.50 54.47 1ddb n TRP 48 Cb 0.01 -1.56 0.07 0.00 -1.36 0.00 0.00 31.31 28.47 1ddb n TRP 48 CO 0.00 0.00 0.00 -0.85 -2.29 0.00 0.00 177.69 174.55 1ddb n GLU 49 N 1.47 -0.09 0.00 -2.67 -0.00 -1.26 -4.93 120.64 113.16 1ddb n GLU 49 Ca 0.16 -0.01 0.00 0.00 -0.00 0.00 0.00 57.16 57.32 1ddb n GLU 49 Cb 0.04 -1.35 0.00 0.00 -0.00 0.00 0.00 31.44 30.13 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ddb n ALA 50 N -2.85 0.00 -3.61 -1.84 0.00 -1.26 -5.17 120.51 105.77 1ddb n ALA 50 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1ddb n ALA 50 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 1ddb n ALA 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ddb s ASP 51 N 0.00 -0.05 0.00 0.00 -1.08 -1.26 -5.10 116.67 109.18 1ddb s ASP 51 Ca 0.00 -0.02 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 1ddb s ASP 51 Cb 0.00 0.06 0.00 0.00 -1.46 0.00 0.00 42.92 41.52 1ddb s ASP 51 CO 0.00 -0.11 0.00 -0.11 0.52 0.00 0.00 175.17 175.47 1ddb n LEU 52 N -0.16 0.00 -2.69 -1.34 7.94 -1.26 -5.07 117.00 114.42 1ddb n LEU 52 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.85 1ddb n LEU 52 Cb 0.59 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.61 1ddb n LEU 52 CO 0.09 0.00 0.49 1.21 -1.11 0.00 0.00 177.39 178.07 1ddb n GLU 53 N 0.00 0.31 -3.84 1.96 2.13 -1.26 -5.16 120.64 114.79 1ddb n GLU 53 Ca 0.00 -0.99 -0.10 0.00 0.66 0.00 0.00 57.16 56.73 1ddb n GLU 53 Cb 0.00 -0.58 -0.08 0.00 0.27 0.00 0.00 31.44 31.05 1ddb n GLU 53 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ddb s ASP 54 N -0.67 0.04 -0.25 4.31 -1.08 -1.26 -5.16 116.67 112.60 1ddb s ASP 54 Ca 0.28 -0.43 -0.09 0.00 -0.52 0.00 0.00 52.55 51.79 1ddb s ASP 54 Cb 0.21 0.31 0.11 0.00 -1.46 0.00 0.00 42.92 42.10 1ddb s ASP 54 CO -0.13 -0.62 0.55 -1.61 0.52 0.00 0.00 175.17 173.88 1ddb s GLU 55 N -2.96 0.47 0.40 4.34 0.41 -1.26 -5.17 118.70 114.94 1ddb s GLU 55 Ca -0.02 1.26 0.05 0.00 -0.41 0.00 0.00 54.97 55.85 1ddb s GLU 55 Cb 0.01 0.60 -0.06 0.00 -1.78 0.00 0.00 34.13 32.90 1ddb s GLU 55 CO -0.06 -0.22 0.03 -0.51 -0.49 0.00 0.00 175.26 174.01 1ddb s LEU 56 N 2.69 2.54 -0.30 1.80 1.43 -1.26 -5.14 118.68 120.44 1ddb s LEU 56 Ca -0.05 -1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 51.49 1ddb s LEU 56 Cb -0.12 -0.68 0.18 0.00 0.03 0.00 0.00 46.19 45.60 1ddb s LEU 56 CO -0.16 -0.59 1.07 -1.58 0.23 0.00 0.00 176.35 175.33 1ddb s GLN 57 N -3.79 0.14 -0.13 1.70 -0.44 -1.26 -5.05 119.66 110.83 1ddb s GLN 57 Ca 0.30 0.19 -0.18 0.00 -2.50 0.00 0.00 55.36 53.18 1ddb s GLN 57 Cb 0.08 0.10 -0.25 0.00 -1.64 0.00 0.00 33.01 31.30 1ddb s GLN 57 CO 0.15 -0.21 0.49 0.00 0.50 0.00 0.00 175.29 176.22 1ddb h THR 58 N 4.87 1.07 -1.16 -0.34 1.03 -2.10 -3.50 112.91 112.79 1ddb h THR 58 Ca -0.11 -2.34 0.37 0.00 -0.01 0.00 0.00 66.41 64.32 1ddb h THR 58 Cb 1.18 2.67 -0.14 0.00 -1.07 0.00 0.00 68.15 70.78 1ddb h THR 58 CO -0.12 0.61 0.94 -0.62 -0.01 0.00 0.00 175.52 176.32 1ddb s ASP 59 N -6.90 -0.02 0.00 0.00 2.15 -1.26 -5.15 116.67 105.49 1ddb s ASP 59 Ca -0.22 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.71 1ddb s ASP 59 Cb 0.04 0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.72 1ddb s ASP 59 CO 0.72 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 176.22 1ddb n GLY 60 N -0.46 -1.02 2.40 2.66 0.00 -1.26 -5.11 105.19 102.40 1ddb n GLY 60 Ca -0.09 0.87 -0.25 0.00 0.00 0.00 0.00 46.02 46.55 1ddb n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ddb n SER 61 N 0.00 -0.68 -2.11 1.61 3.41 -1.26 -5.06 113.62 109.54 1ddb n SER 61 Ca 0.00 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 1ddb n SER 61 Cb 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1ddb n SER 61 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1ddb n GLN 62 N 2.69 -5.77 -2.81 4.33 -0.06 -1.26 -5.03 117.38 109.47 1ddb n GLN 62 Ca 0.28 4.07 -0.10 0.00 -2.00 0.00 0.00 57.00 59.26 1ddb n GLN 62 Cb 0.49 -4.39 0.03 0.00 -4.06 0.00 0.00 30.24 22.31 1ddb n GLN 62 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ddb n ALA 63 N 1.90 -0.95 -3.45 1.69 0.00 -1.26 -5.10 120.51 113.34 1ddb n ALA 63 Ca 0.00 -1.62 -0.37 0.00 0.00 0.00 0.00 53.44 51.45 1ddb n ALA 63 Cb 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.04 1ddb n ALA 63 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ddb s SER 64 N -1.29 5.23 0.31 0.00 1.04 -1.26 -4.80 113.70 112.93 1ddb s SER 64 Ca 0.32 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1ddb s SER 64 Cb 0.19 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.48 1ddb s SER 64 CO -0.21 -0.37 0.00 0.54 0.98 0.00 0.00 173.24 174.18 1ddb n ARG 65 N 4.73 0.00 0.00 4.02 1.74 -1.26 -5.13 116.66 120.77 1ddb n ARG 65 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1ddb n ARG 65 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 1ddb n ARG 65 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ddb n SER 66 N -3.23 0.00 -4.85 0.55 7.64 -1.26 -5.18 113.62 107.29 1ddb n SER 66 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 1ddb n SER 66 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1ddb n SER 66 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1ddb s PHE 67 N 0.00 3.23 0.00 1.43 -0.12 -1.26 -5.08 117.98 116.18 1ddb s PHE 67 Ca 0.00 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 56.85 1ddb s PHE 67 Cb 0.00 -1.50 0.00 0.00 -0.63 0.00 0.00 43.02 40.89 1ddb s PHE 67 CO 0.00 0.51 0.00 0.09 -0.05 0.00 0.00 175.22 175.77 1ddb n ASN 68 N -0.82 0.00 -4.72 1.98 5.03 -1.26 -5.16 115.26 110.31 1ddb n ASN 68 Ca -0.08 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.04 1ddb n ASN 68 Cb 0.56 0.00 0.11 0.00 -1.02 0.00 0.00 39.78 39.43 1ddb n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ddb s GLN 69 N 0.00 1.94 -1.10 3.52 -2.07 -1.26 -4.92 119.66 115.78 1ddb s GLN 69 Ca 0.00 1.60 -0.03 0.00 -1.82 0.00 0.00 55.36 55.10 1ddb s GLN 69 Cb 0.00 -1.83 0.21 0.00 -1.09 0.00 0.00 33.01 30.31 1ddb s GLN 69 CO 0.00 -1.95 2.17 0.41 -1.32 0.00 0.00 175.29 174.60 1ddb n GLY 70 N 0.05 5.55 0.00 2.60 0.00 -1.26 -4.95 105.19 107.19 1ddb n GLY 70 Ca 0.12 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1ddb n GLY 70 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ddb n ARG 71 N 0.77 1.30 -0.63 1.61 1.85 -1.26 -5.07 116.66 115.22 1ddb n ARG 71 Ca 0.55 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 57.10 1ddb n ARG 71 Cb 0.28 0.00 0.21 0.00 -1.05 0.00 0.00 32.46 31.89 1ddb n ARG 71 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1ddb s ILE 72 N 0.83 2.07 -0.63 8.89 -1.09 -1.26 -4.99 121.20 125.02 1ddb s ILE 72 Ca 0.00 0.02 0.05 0.00 -2.23 0.00 0.00 60.65 58.50 1ddb s ILE 72 Cb 0.00 -2.07 0.20 0.00 -1.58 0.00 0.00 42.46 39.01 1ddb s ILE 72 CO 0.00 -0.03 0.55 1.21 -1.23 0.00 0.00 174.94 175.44 1ddb n GLU 73 N -4.58 1.75 0.00 2.79 2.13 -1.26 -4.73 120.64 116.74 1ddb n GLU 73 Ca 0.07 -4.29 0.00 0.00 0.66 0.00 0.00 57.16 53.61 1ddb n GLU 73 Cb 0.53 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 30.12 1ddb n GLU 73 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1ddb n PRO 74 N 1.70 0.17 -3.07 5.31 -0.04 -1.26 -4.83 135.00 132.98 1ddb n PRO 74 Ca 0.24 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.25 1ddb n PRO 74 Cb 0.40 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.84 1ddb n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ddb s ASP 75 N -1.25 6.74 -0.15 3.54 1.01 -1.26 -4.16 116.67 121.14 1ddb s ASP 75 Ca 0.00 -2.39 -0.31 0.00 0.71 0.00 0.00 52.55 50.56 1ddb s ASP 75 Cb 0.00 -2.33 0.13 0.00 1.01 0.00 0.00 42.92 41.73 1ddb s ASP 75 CO 0.00 -0.85 1.06 -0.55 0.21 0.00 0.00 175.17 175.04 1ddb s SER 76 N 3.02 -0.27 -0.39 0.27 0.15 -1.26 -4.68 113.70 110.53 1ddb s SER 76 Ca 0.29 0.17 0.05 0.00 0.70 0.00 0.00 55.95 57.16 1ddb s SER 76 Cb -0.06 0.25 0.32 0.00 -1.71 0.00 0.00 66.02 64.81 1ddb s SER 76 CO -0.08 -0.34 1.24 1.21 1.20 0.00 0.00 173.24 176.46 1ddb n GLU 77 N 0.29 0.56 0.00 5.44 0.00 -1.26 -0.17 120.64 125.50 1ddb n GLU 77 Ca -0.06 -1.30 0.00 0.00 0.00 0.00 0.00 57.16 55.80 1ddb n GLU 77 Cb 0.59 -0.62 0.00 0.00 0.00 0.00 0.00 31.44 31.41 1ddb n GLU 77 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1ddb n SER 78 N 0.56 0.00 -2.17 4.31 7.64 -1.26 -4.85 113.62 117.86 1ddb n SER 78 Ca 0.01 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.87 1ddb n SER 78 Cb 0.72 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.94 1ddb n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddb n GLN 79 N -0.96 0.34 -2.92 1.43 10.64 -1.26 -4.99 117.38 119.65 1ddb n GLN 79 Ca 0.00 -0.54 0.04 0.00 -1.83 0.00 0.00 57.00 54.67 1ddb n GLN 79 Cb 0.00 0.06 0.00 0.00 -0.86 0.00 0.00 30.24 29.44 1ddb n GLN 79 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1ddb s GLU 80 N 0.04 0.11 0.00 2.61 2.12 -1.26 -5.15 118.70 117.17 1ddb s GLU 80 Ca 0.04 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.38 1ddb s GLU 80 Cb 0.11 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.53 1ddb s GLU 80 CO -0.03 -0.18 0.00 0.39 -0.54 0.00 0.00 175.26 174.90 1ddb n GLU 81 N 4.29 -2.12 0.16 4.30 1.02 -1.26 -4.99 120.64 122.04 1ddb n GLU 81 Ca 0.07 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.33 1ddb n GLU 81 Cb 0.61 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.12 1ddb n GLU 81 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1ddb h ILE 82 N 0.00 0.04 -0.31 -3.67 1.08 -2.02 -3.33 117.51 109.30 1ddb h ILE 82 Ca 0.00 -1.06 0.07 0.00 -0.39 0.00 0.00 64.86 63.48 1ddb h ILE 82 Cb 0.00 1.80 -0.07 0.00 -3.07 0.00 0.00 36.82 35.48 1ddb h ILE 82 CO 0.00 0.02 -0.15 -0.29 -0.69 0.00 0.00 178.15 177.04 1ddb h ILE 83 N 0.00 0.53 -0.98 -0.67 6.09 -2.00 0.10 117.51 120.58 1ddb h ILE 83 Ca -0.00 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.56 1ddb h ILE 83 Cb 1.03 0.53 -0.07 0.00 0.47 0.00 0.00 36.82 38.78 1ddb h ILE 83 CO 0.00 0.00 0.64 0.45 -3.07 0.00 0.00 178.15 176.17 1ddb h HIS 84 N -0.11 1.17 -0.65 2.19 3.86 -1.98 -0.73 115.15 118.90 1ddb h HIS 84 Ca 0.16 0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.51 1ddb h HIS 84 Cb 0.35 -0.38 -0.08 0.00 1.06 0.00 0.00 27.41 28.36 1ddb h HIS 84 CO -0.36 0.59 0.24 -0.97 0.86 0.00 0.00 177.93 178.30 1ddb h ASN 85 N 1.13 0.23 -0.80 2.45 -0.73 -0.98 0.15 115.58 117.03 1ddb h ASN 85 Ca 0.43 0.09 -0.03 0.00 1.87 0.00 0.00 56.30 58.65 1ddb h ASN 85 Cb 0.20 0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.83 1ddb h ASN 85 CO -0.17 0.12 0.37 -0.29 -0.37 0.00 0.00 177.43 177.09 1ddb h ILE 86 N 0.42 1.25 0.04 2.57 6.09 -0.20 0.37 117.51 128.05 1ddb h ILE 86 Ca 0.34 -0.73 0.03 0.00 -1.37 0.00 0.00 64.86 63.12 1ddb h ILE 86 Cb 0.45 0.24 -0.05 0.00 0.47 0.00 0.00 36.82 37.93 1ddb h ILE 86 CO -0.34 0.31 -0.32 0.00 -3.07 0.00 0.00 178.15 174.73 1ddb h ALA 87 N 1.25 -0.49 -0.46 0.18 0.00 0.00 -1.06 119.26 118.69 1ddb h ALA 87 Ca 0.27 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1ddb h ALA 87 Cb 0.14 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1ddb h ALA 87 CO -0.03 -0.84 -0.11 0.07 0.00 0.00 0.00 179.25 178.34 1ddb h ARG 88 N -0.49 0.84 -0.19 0.00 0.11 -0.95 -2.06 114.38 111.63 1ddb h ARG 88 Ca 0.05 -0.29 0.06 0.00 0.10 0.00 0.00 59.98 59.90 1ddb h ARG 88 Cb 0.56 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.57 1ddb h ARG 88 CO -0.24 0.91 0.34 1.25 0.10 0.00 0.00 179.97 182.33 1ddb h HIS 89 N 0.75 0.00 0.74 4.08 2.76 0.63 -1.42 115.15 122.69 1ddb h HIS 89 Ca 0.12 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1ddb h HIS 89 Cb 0.62 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.58 1ddb h HIS 89 CO 0.03 0.00 -0.39 -0.07 -1.30 0.00 0.00 177.93 176.20 1ddb h LEU 90 N 0.00 -0.95 -0.02 0.26 4.07 -0.47 0.12 115.31 118.31 1ddb h LEU 90 Ca 0.09 0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.13 1ddb h LEU 90 Cb 0.78 0.26 -0.05 0.00 1.08 0.00 0.00 40.66 42.73 1ddb h LEU 90 CO -0.00 -0.64 -0.25 0.00 -1.08 0.00 0.00 178.44 176.47 1ddb h ALA 91 N -1.43 -0.32 -1.09 1.53 0.00 -1.41 0.93 119.26 117.47 1ddb h ALA 91 Ca -0.10 0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.11 1ddb h ALA 91 Cb 0.81 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1ddb h ALA 91 CO 0.14 -0.74 0.73 1.96 0.00 0.00 0.00 179.25 181.35 1ddb h GLN 92 N -0.37 0.23 -0.04 0.00 1.08 -1.37 1.61 115.11 116.24 1ddb h GLN 92 Ca 0.07 -0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 57.13 1ddb h GLN 92 Cb 0.47 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1ddb h GLN 92 CO -0.24 0.15 -0.57 0.82 -0.95 0.00 0.00 178.83 178.04 1ddb h ILE 93 N 0.24 1.39 0.29 2.54 2.04 0.17 -2.37 117.51 121.81 1ddb h ILE 93 Ca 0.59 -1.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 1ddb h ILE 93 Cb 1.81 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 1ddb h ILE 93 CO -0.20 0.56 -0.14 1.23 0.00 0.00 0.00 178.15 179.60 1ddb h GLY 94 N 1.58 -0.41 0.96 5.37 0.00 0.35 2.26 103.07 113.18 1ddb h GLY 94 Ca -0.00 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1ddb h GLY 94 CO 0.08 -0.15 -0.11 -1.80 0.00 0.00 0.00 176.54 174.56 1ddb h ASP 95 N -0.40 -0.26 -0.81 0.19 1.82 -1.43 -2.34 116.42 113.19 1ddb h ASP 95 Ca -0.04 -0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.55 1ddb h ASP 95 Cb 0.31 0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.34 1ddb h ASP 95 CO 0.07 -0.14 0.42 -0.08 -1.61 0.00 0.00 179.24 177.89 1ddb h GLU 96 N -0.35 1.16 -0.79 0.28 4.22 -1.33 -2.50 114.58 115.27 1ddb h GLU 96 Ca -0.03 -0.15 0.15 0.00 0.08 0.00 0.00 59.36 59.41 1ddb h GLU 96 Cb 0.27 -0.22 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 1ddb h GLU 96 CO 0.05 0.87 0.32 0.52 -2.18 0.00 0.00 179.01 178.60 1ddb h MET 97 N 1.16 0.44 -1.73 1.92 2.86 0.41 0.15 114.93 120.14 1ddb h MET 97 Ca 0.29 -0.03 0.51 0.00 -2.06 0.00 0.00 59.70 58.41 1ddb h MET 97 Cb 0.07 -0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.55 1ddb h MET 97 CO -0.04 0.29 1.23 -3.47 1.06 0.00 0.00 176.91 175.98 1ddb n ASP 98 N -5.00 0.03 -0.30 1.22 2.03 -0.91 0.25 116.55 113.86 1ddb n ASP 98 Ca 0.16 0.97 0.11 0.00 0.52 0.00 0.00 54.79 56.54 1ddb n ASP 98 Cb 0.45 -0.48 0.28 0.00 -0.72 0.00 0.00 41.12 40.65 1ddb n ASP 98 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1ddb h HIS 99 N 0.00 0.70 -2.13 -0.67 2.76 -0.86 -3.31 115.15 111.64 1ddb h HIS 99 Ca 0.85 0.04 -0.44 0.00 -2.20 0.00 0.00 60.37 58.62 1ddb h HIS 99 Cb 3.33 -0.17 -0.33 0.00 1.55 0.00 0.00 27.41 31.79 1ddb h HIS 99 CO -0.00 0.04 -0.75 -0.80 -1.30 0.00 0.00 177.93 175.11 1ddb s ASN 100 N -5.27 1.59 -0.73 3.26 0.01 0.68 -5.04 114.94 109.44 1ddb s ASN 100 Ca -0.12 -1.91 0.04 0.00 -0.71 0.00 0.00 52.86 50.16 1ddb s ASN 100 Cb 0.24 0.25 0.25 0.00 0.41 0.00 0.00 41.25 42.40 1ddb s ASN 100 CO 0.78 -0.25 0.83 -0.38 -1.51 0.00 0.00 177.10 176.57 1ddb n ILE 101 N 3.99 2.78 0.00 0.60 5.41 -1.21 -4.63 119.36 126.30 1ddb n ILE 101 Ca 0.14 -5.28 0.00 0.00 1.00 0.00 0.00 62.75 58.60 1ddb n ILE 101 Cb 0.43 -2.13 0.00 0.00 -0.71 0.00 0.00 39.64 37.24 1ddb n ILE 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ddb n GLN 102 N 1.15 0.00 -1.86 0.38 -0.00 -1.26 -4.51 117.38 111.28 1ddb n GLN 102 Ca 0.28 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.88 1ddb n GLN 102 Cb 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 30.60 1ddb n GLN 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1ddb n PRO 103 N 0.00 2.27 -0.38 2.61 -0.04 -1.26 -3.27 135.00 134.93 1ddb n PRO 103 Ca 0.00 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 1ddb n PRO 103 Cb 0.00 -3.34 0.00 0.00 -0.04 0.00 0.00 33.50 30.12 1ddb n PRO 103 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ddb n THR 104 N 6.29 0.00 0.00 0.52 -1.04 -1.26 -3.85 114.28 114.95 1ddb n THR 104 Ca 0.49 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 1ddb n THR 104 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1ddb n THR 104 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1ddb n LEU 105 N 0.00 0.00 0.00 -4.42 0.00 -1.20 -5.07 117.00 106.31 1ddb n LEU 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1ddb n LEU 105 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1ddb n LEU 105 CO 0.00 0.00 0.07 0.52 0.00 0.00 0.00 177.39 177.98 1ddb n VAL 106 N -0.96 0.00 0.24 1.96 0.31 -1.25 -2.36 118.33 116.26 1ddb n VAL 106 Ca 0.00 0.36 0.11 0.00 -0.01 0.00 0.00 64.34 64.80 1ddb n VAL 106 Cb 0.00 -0.78 0.60 0.00 -0.91 0.00 0.00 33.84 32.76 1ddb n VAL 106 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1ddb h ARG 107 N 0.00 0.00 -0.03 5.55 3.08 -1.91 0.34 114.38 121.41 1ddb h ARG 107 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1ddb h ARG 107 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1ddb h ARG 107 CO 0.00 0.00 -0.01 0.37 -1.07 0.00 0.00 179.97 179.26 1ddb h GLN 108 N 0.00 0.06 0.17 0.04 4.15 -1.79 -2.26 115.11 115.48 1ddb h GLN 108 Ca 0.00 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.41 1ddb h GLN 108 Cb 0.51 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 1ddb h GLN 108 CO 0.00 0.44 -0.30 1.37 -1.93 0.00 0.00 178.83 178.41 1ddb h LEU 109 N -0.32 -0.83 -0.96 -2.39 8.10 -0.54 -0.63 115.31 117.73 1ddb h LEU 109 Ca 0.01 0.09 0.24 0.00 0.11 0.00 0.00 57.88 58.33 1ddb h LEU 109 Cb 0.42 0.31 -0.13 0.00 -0.44 0.00 0.00 40.66 40.82 1ddb h LEU 109 CO 0.00 -0.40 0.52 0.00 -4.11 0.00 0.00 178.44 174.46 1ddb h ALA 110 N 0.11 1.68 0.00 0.17 0.00 -1.56 2.45 119.26 122.10 1ddb h ALA 110 Ca 0.02 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ddb h ALA 110 Cb 0.55 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ddb h ALA 110 CO -0.14 -0.32 -0.08 0.00 0.00 0.00 0.00 179.25 178.71 1ddb h ALA 111 N 1.73 1.19 0.05 0.00 0.00 -0.53 -2.71 119.26 118.99 1ddb h ALA 111 Ca 0.62 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.48 1ddb h ALA 111 Cb 1.20 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1ddb h ALA 111 CO -0.51 0.10 -0.17 -0.56 0.00 0.00 0.00 179.25 178.12 1ddb h GLN 112 N 0.00 -0.29 -0.55 0.00 3.07 0.54 -2.48 115.11 115.39 1ddb h GLN 112 Ca -0.00 0.02 -0.10 0.00 0.09 0.00 0.00 58.65 58.66 1ddb h GLN 112 Cb 0.32 0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.92 1ddb h GLN 112 CO 0.01 -0.19 -0.04 0.27 0.09 0.00 0.00 178.83 178.97 1ddb h PHE 113 N -0.30 1.07 -0.04 0.06 -5.15 -1.43 -3.39 116.94 107.75 1ddb h PHE 113 Ca 0.04 -0.19 -0.04 0.00 -0.20 0.00 0.00 57.97 57.58 1ddb h PHE 113 Cb 0.35 -0.28 0.01 0.00 0.22 0.00 0.00 35.95 36.25 1ddb h PHE 113 CO -0.20 0.97 0.51 -0.12 -2.00 0.00 0.00 178.31 177.47 1ddb n MET 114 N -4.17 0.04 -0.40 6.09 1.56 -0.94 -4.64 117.12 114.67 1ddb n MET 114 Ca 0.02 -0.90 0.00 0.00 -0.27 0.00 0.00 57.70 56.55 1ddb n MET 114 Cb 0.36 -2.54 0.00 0.00 2.15 0.00 0.00 33.22 33.18 1ddb n MET 114 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1ddb n ASN 115 N 12.35 0.00 -0.79 6.12 0.23 -1.26 -4.98 115.26 126.93 1ddb n ASN 115 Ca 0.23 -0.23 0.10 0.00 -0.53 0.00 0.00 54.58 54.15 1ddb n ASN 115 Cb 0.47 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.14 1ddb n ASN 115 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ddb n GLY 116 N 0.00 -1.03 2.66 4.83 0.00 -1.26 -4.85 105.19 105.54 1ddb n GLY 116 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1ddb n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddb n SER 117 N -4.34 -2.55 -1.91 1.61 7.64 -1.26 -5.03 113.62 107.78 1ddb n SER 117 Ca -0.00 -3.07 -0.00 0.00 1.01 0.00 0.00 58.87 56.81 1ddb n SER 117 Cb 0.59 1.37 0.00 0.00 -1.01 0.00 0.00 64.21 65.16 1ddb n SER 117 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ddb n LEU 118 N 2.05 -4.03 -4.00 -3.43 7.99 -1.26 -5.00 117.00 109.33 1ddb n LEU 118 Ca 0.14 0.47 -0.30 0.00 -0.01 0.00 0.00 56.01 56.31 1ddb n LEU 118 Cb 0.59 -1.79 -0.16 0.00 -0.11 0.00 0.00 43.42 41.95 1ddb n LEU 118 CO 0.04 -1.07 -0.47 -0.55 -1.51 0.00 0.00 177.39 173.83 1ddb s SER 119 N -0.60 3.11 0.00 -1.43 0.15 -1.26 -4.64 113.70 109.03 1ddb s SER 119 Ca 0.00 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1ddb s SER 119 Cb -0.00 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1ddb s SER 119 CO 0.26 -0.11 0.00 1.21 1.20 0.00 0.00 173.24 175.80 1ddb n GLU 120 N 4.72 0.00 0.00 5.44 2.13 -1.26 -3.95 120.64 127.72 1ddb n GLU 120 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1ddb n GLU 120 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1ddb n GLU 120 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ddb n GLU 121 N 0.00 0.00 -0.09 5.31 -0.58 -1.26 -5.13 120.64 118.88 1ddb n GLU 121 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ddb n GLU 121 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1ddb n GLU 121 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ddb n ASP 122 N 0.00 -0.50 0.00 1.62 -0.08 -1.25 -5.02 116.55 111.32 1ddb n ASP 122 Ca 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1ddb n ASP 122 Cb 0.00 0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.90 1ddb n ASP 122 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1ddb n LYS 123 N -1.69 0.00 0.00 -0.67 4.01 -1.26 -4.46 118.16 114.09 1ddb n LYS 123 Ca -0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1ddb n LYS 123 Cb 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.55 1ddb n LYS 123 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ddb n ARG 124 N 0.00 0.00 -0.12 1.97 1.74 -1.26 -4.69 116.66 114.29 1ddb n ARG 124 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1ddb n ARG 124 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1ddb n ARG 124 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 1ddb h ASN 125 N 0.00 0.96 -0.14 0.55 7.08 -1.97 -1.71 115.58 120.35 1ddb h ASN 125 Ca 0.00 -0.45 0.05 0.00 -3.08 0.00 0.00 56.30 52.82 1ddb h ASN 125 Cb 0.00 -0.27 -0.05 0.00 -2.08 0.00 0.00 38.32 35.92 1ddb h ASN 125 CO 0.00 1.21 -0.21 0.00 -2.08 0.00 0.00 177.43 176.35 1ddb h LEU 127 N -0.26 -0.05 -1.97 0.00 -0.00 -1.84 -1.51 115.31 109.67 1ddb h LEU 127 Ca 0.10 0.00 0.29 0.00 -0.00 0.00 0.00 57.88 58.28 1ddb h LEU 127 Cb 0.41 0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.05 1ddb h LEU 127 CO -0.29 -0.03 0.75 0.00 -0.00 0.00 0.00 178.44 178.87 1ddb h ALA 128 N -1.83 2.93 0.00 0.17 0.00 -1.18 1.87 119.26 121.22 1ddb h ALA 128 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ddb h ALA 128 Cb 0.04 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ddb h ALA 128 CO 0.00 -1.27 -0.13 -0.22 0.00 0.00 0.00 179.25 177.64 1ddb h LYS 129 N 0.00 0.00 -0.02 0.00 3.64 0.54 -2.34 116.57 118.38 1ddb h LYS 129 Ca 0.48 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.85 1ddb h LYS 129 Cb 1.97 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.79 1ddb h LYS 129 CO -0.01 0.13 -0.01 0.00 -2.27 0.00 0.00 179.45 177.30 1ddb h ALA 130 N 1.87 0.03 -0.97 5.00 0.00 0.39 -2.48 119.26 123.10 1ddb h ALA 130 Ca -0.00 -0.22 0.28 0.00 0.00 0.00 0.00 54.91 54.98 1ddb h ALA 130 Cb 0.26 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.86 1ddb h ALA 130 CO 0.02 -0.25 0.12 1.37 0.00 0.00 0.00 179.25 180.51 1ddb h LEU 131 N -0.35 -0.31 -0.54 0.00 8.10 -1.31 2.48 115.31 123.38 1ddb h LEU 131 Ca 0.01 0.27 -0.09 0.00 0.11 0.00 0.00 57.88 58.17 1ddb h LEU 131 Cb 0.43 0.43 -0.02 0.00 -0.44 0.00 0.00 40.66 41.06 1ddb h LEU 131 CO 0.00 -0.34 -0.00 0.44 -4.11 0.00 0.00 178.44 174.43 1ddb h ASP 132 N 0.04 0.93 0.51 0.17 3.32 -1.48 -1.59 116.42 118.31 1ddb h ASP 132 Ca 0.62 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 1ddb h ASP 132 Cb 1.34 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1ddb h ASP 132 CO -0.86 1.01 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.09 1ddb h GLU 133 N 0.82 -0.66 -1.32 3.56 4.39 0.35 0.10 114.58 121.83 1ddb h GLU 133 Ca 0.15 0.04 0.39 0.00 0.34 0.00 0.00 59.36 60.29 1ddb h GLU 133 Cb 0.54 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 29.24 1ddb h GLU 133 CO 0.03 -0.44 0.89 -0.24 -1.16 0.00 0.00 179.01 178.09 1ddb h VAL 134 N -1.11 0.27 -0.00 3.13 3.04 0.32 1.06 116.25 122.96 1ddb h VAL 134 Ca -0.07 -0.04 -0.12 0.00 -1.01 0.00 0.00 66.70 65.46 1ddb h VAL 134 Cb 0.52 0.14 0.01 0.00 -2.01 0.00 0.00 31.29 29.95 1ddb h VAL 134 CO 0.11 0.02 -0.48 0.07 -1.01 0.00 0.00 177.57 176.29 1ddb h LYS 135 N 0.12 0.32 -0.26 4.17 2.10 -1.18 0.87 116.57 122.71 1ddb h LYS 135 Ca 0.72 -0.35 0.08 0.00 -2.00 0.00 0.00 60.65 59.10 1ddb h LYS 135 Cb 2.42 0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 33.84 1ddb h LYS 135 CO -0.22 1.04 0.37 1.79 -2.00 0.00 0.00 179.45 180.42 1ddb h THR 136 N -0.25 0.30 0.00 0.07 1.35 0.37 1.40 112.91 116.16 1ddb h THR 136 Ca -0.06 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.45 1ddb h THR 136 Cb 1.20 0.69 -0.05 0.00 -1.73 0.00 0.00 68.15 68.26 1ddb h THR 136 CO 0.09 0.00 -2.15 0.00 -0.25 0.00 0.00 175.52 173.22 1ddb n ALA 137 N -2.23 1.19 -3.03 6.62 0.00 -0.20 -4.71 120.51 118.15 1ddb n ALA 137 Ca 0.04 -1.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.19 1ddb n ALA 137 Cb 0.50 0.13 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 1ddb n ALA 137 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ddb n PHE 138 N -4.26 3.85 -2.11 0.00 -1.74 0.30 -5.07 117.46 108.44 1ddb n PHE 138 Ca -0.44 -3.91 -0.33 0.00 -0.56 0.00 0.00 57.45 52.21 1ddb n PHE 138 Cb 0.79 -0.57 0.00 0.00 1.52 0.00 0.00 39.48 41.22 1ddb n PHE 138 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1ddb s PRO 139 N -3.30 3.42 0.00 3.97 0.04 0.48 -3.80 135.00 135.81 1ddb s PRO 139 Ca 0.46 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1ddb s PRO 139 Cb 0.24 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1ddb s PRO 139 CO -0.10 -0.73 0.00 0.54 0.04 0.00 0.00 177.00 176.75 1ddb n ARG 140 N -1.93 -1.51 0.00 4.56 1.74 -1.26 -4.45 116.66 113.80 1ddb n ARG 140 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1ddb n ARG 140 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ddb n ASP 141 N 2.60 0.00 0.12 0.55 8.00 -1.26 -3.33 116.55 123.23 1ddb n ASP 141 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 1ddb n ASP 141 Cb 0.00 0.00 0.44 0.00 -0.02 0.00 0.00 41.12 41.54 1ddb n ASP 141 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1ddb h MET 142 N 0.00 0.25 0.46 -1.24 2.86 -1.98 1.24 114.93 116.51 1ddb h MET 142 Ca 0.00 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1ddb h MET 142 Cb 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1ddb h MET 142 CO 0.00 0.31 -0.22 1.49 1.06 0.00 0.00 176.91 179.55 1ddb h GLU 143 N 0.24 -0.60 0.47 1.72 4.81 -1.94 -1.56 114.58 117.72 1ddb h GLU 143 Ca 0.06 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1ddb h GLU 143 Cb 0.24 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1ddb h GLU 143 CO 0.01 -0.40 -0.23 -0.97 -0.73 0.00 0.00 179.01 176.69 1ddb h ASN 144 N -0.92 -0.54 -0.94 1.04 -1.24 -1.64 0.50 115.58 111.84 1ddb h ASN 144 Ca -0.06 -0.08 0.17 0.00 0.71 0.00 0.00 56.30 57.03 1ddb h ASN 144 Cb 0.48 0.14 -0.17 0.00 0.73 0.00 0.00 38.32 39.50 1ddb h ASN 144 CO 0.10 -0.16 -0.31 0.44 -1.29 0.00 0.00 177.43 176.21 1ddb h ASP 145 N -0.98 -1.16 0.18 1.15 3.32 0.16 2.73 116.42 121.83 1ddb h ASP 145 Ca -0.06 0.29 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 1ddb h ASP 145 Cb 0.59 0.66 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1ddb h ASP 145 CO 0.11 -0.30 -0.25 0.50 -1.72 0.00 0.00 179.24 177.57 1ddb h LYS 146 N -0.02 0.13 0.68 3.56 3.64 -1.24 -2.48 116.57 120.85 1ddb h LYS 146 Ca 0.39 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1ddb h LYS 146 Cb 0.64 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1ddb h LYS 146 CO -0.95 0.38 -0.33 0.00 -2.27 0.00 0.00 179.45 176.28 1ddb h ALA 147 N 1.62 -0.92 -0.23 5.00 0.00 0.69 0.11 119.26 125.53 1ddb h ALA 147 Ca 0.02 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ddb h ALA 147 Cb 0.52 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1ddb h ALA 147 CO 0.04 -0.98 -0.31 0.52 0.00 0.00 0.00 179.25 178.52 1ddb h MET 148 N -0.99 -0.31 -0.87 0.00 2.86 -0.04 0.19 114.93 115.76 1ddb h MET 148 Ca -0.09 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.68 1ddb h MET 148 Cb 0.72 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.37 1ddb h MET 148 CO 0.15 -0.21 0.51 1.25 1.06 0.00 0.00 176.91 179.67 1ddb h LEU 149 N -0.33 0.71 -1.74 1.22 5.85 -1.40 0.34 115.31 119.96 1ddb h LEU 149 Ca 0.13 0.06 0.23 0.00 0.84 0.00 0.00 57.88 59.13 1ddb h LEU 149 Cb 0.53 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1ddb h LEU 149 CO -0.41 0.38 0.60 -0.29 -0.34 0.00 0.00 178.44 178.38 1ddb h ILE 150 N 0.81 0.62 0.45 4.05 2.10 0.13 -0.65 117.51 125.03 1ddb h ILE 150 Ca 0.44 -0.07 -0.02 0.00 1.08 0.00 0.00 64.86 66.28 1ddb h ILE 150 Cb 0.45 0.40 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 1ddb h ILE 150 CO -0.27 0.04 -0.22 0.24 -1.08 0.00 0.00 178.15 176.86 1ddb h MET 151 N 0.21 -0.59 -0.98 2.19 2.86 0.28 -2.14 114.93 116.76 1ddb h MET 151 Ca 0.44 0.04 0.28 0.00 -2.06 0.00 0.00 59.70 58.40 1ddb h MET 151 Cb 1.40 0.13 -0.18 0.00 0.06 0.00 0.00 31.60 33.01 1ddb h MET 151 CO -0.10 -0.32 0.04 -2.37 1.06 0.00 0.00 176.91 175.21 1ddb n THR 152 N -5.30 -0.41 0.20 2.22 5.66 -0.26 0.35 114.28 116.74 1ddb n THR 152 Ca -0.11 2.16 0.06 0.00 -3.05 0.00 0.00 64.05 63.11 1ddb n THR 152 Cb 0.28 -3.17 0.40 0.00 -1.55 0.00 0.00 70.33 66.29 1ddb n THR 152 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1ddb h MET 153 N 0.00 0.00 -0.46 1.09 2.07 -1.42 -2.92 114.93 113.29 1ddb h MET 153 Ca 0.60 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 58.19 1ddb h MET 153 Cb 1.26 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.97 1ddb h MET 153 CO -0.92 0.34 0.12 1.37 1.07 0.00 0.00 176.91 178.89 1ddb h LEU 154 N 0.00 0.68 0.27 1.22 8.10 0.68 0.82 115.31 127.08 1ddb h LEU 154 Ca -0.00 -0.22 0.00 0.00 0.11 0.00 0.00 57.88 57.77 1ddb h LEU 154 Cb 0.78 -0.18 -0.03 0.00 -0.44 0.00 0.00 40.66 40.78 1ddb h LEU 154 CO 0.04 0.72 -0.48 -0.07 -4.11 0.00 0.00 178.44 174.55 1ddb h LEU 155 N 0.60 -1.39 0.36 0.17 -0.00 -0.99 1.45 115.31 115.51 1ddb h LEU 155 Ca 0.14 0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 58.14 1ddb h LEU 155 Cb 0.30 0.49 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 1ddb h LEU 155 CO -0.00 -0.56 -0.17 0.00 -0.00 0.00 0.00 178.44 177.70 1ddb h ALA 156 N -0.78 -0.48 -1.01 1.53 0.00 -1.54 0.23 119.26 117.20 1ddb h ALA 156 Ca -0.03 -0.13 0.26 0.00 0.00 0.00 0.00 54.91 55.01 1ddb h ALA 156 Cb 0.75 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 1ddb h ALA 156 CO -0.17 -0.74 0.60 -0.22 0.00 0.00 0.00 179.25 178.72 1ddb h LYS 157 N -0.56 0.52 0.16 0.00 1.63 0.90 5.45 116.57 124.68 1ddb h LYS 157 Ca -0.05 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1ddb h LYS 157 Cb 0.42 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1ddb h LYS 157 CO 0.08 0.34 -0.08 0.87 -3.45 0.00 0.00 179.45 177.22 1ddb h LYS 158 N 0.54 -0.20 0.00 1.90 1.79 0.26 -3.20 116.57 117.66 1ddb h LYS 158 Ca 0.65 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.14 1ddb h LYS 158 Cb 1.31 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 1ddb h LYS 158 CO -0.47 0.18 0.00 1.55 -1.08 0.00 0.00 179.45 179.63 1ddb n VAL 159 N -4.99 0.00 -0.40 0.50 3.14 0.75 -2.65 118.33 114.68 1ddb n VAL 159 Ca -0.09 0.45 0.31 0.00 -2.96 0.00 0.00 64.34 62.06 1ddb n VAL 159 Cb 0.25 -1.45 0.49 0.00 -1.06 0.00 0.00 33.84 32.07 1ddb n VAL 159 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ddb n ALA 160 N -2.39 1.10 0.66 1.55 0.00 1.65 0.88 120.51 123.96 1ddb n ALA 160 Ca 0.00 0.47 0.10 0.00 0.00 0.00 0.00 53.44 54.02 1ddb n ALA 160 Cb 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 19.45 18.62 1ddb n ALA 160 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ddb n SER 161 N -3.50 0.66 0.00 0.00 2.88 0.56 -4.26 113.62 109.95 1ddb n SER 161 Ca 0.28 -0.61 0.00 0.00 -1.33 0.00 0.00 58.87 57.21 1ddb n SER 161 Cb 1.19 1.26 0.00 0.00 -0.75 0.00 0.00 64.21 65.91 1ddb n SER 161 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1ddb n HIS 162 N -1.77 0.00 -3.63 0.66 -0.00 5.24 -4.88 115.22 110.84 1ddb n HIS 162 Ca 0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.42 1ddb n HIS 162 Cb 0.41 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.32 1ddb n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ddb n ALA 163 N -2.04 3.84 -0.52 1.57 0.00 5.12 -4.92 120.51 123.56 1ddb n ALA 163 Ca 0.00 -4.64 -0.03 0.00 0.00 0.00 0.00 53.44 48.77 1ddb n ALA 163 Cb 0.39 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 1ddb n ALA 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ddb n PRO 164 N 1.71 1.03 -1.87 0.00 -0.04 -1.23 -3.40 135.00 131.19 1ddb n PRO 164 Ca 0.24 -0.28 0.01 0.00 -0.04 0.00 0.00 63.50 63.42 1ddb n PRO 164 Cb 0.37 -1.41 0.05 0.00 -0.04 0.00 0.00 33.50 32.47 1ddb n PRO 164 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ddb n SER 165 N 2.00 1.50 -4.14 3.54 2.88 -1.26 -5.04 113.62 113.11 1ddb n SER 165 Ca 0.12 -2.31 -0.33 0.00 -1.33 0.00 0.00 58.87 55.02 1ddb n SER 165 Cb 0.49 -0.38 -0.15 0.00 -0.75 0.00 0.00 64.21 63.42 1ddb n SER 165 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1ddb s LEU 166 N -1.78 2.55 0.00 2.46 1.43 -1.22 -5.08 118.68 117.04 1ddb s LEU 166 Ca 0.33 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1ddb s LEU 166 Cb 0.37 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1ddb s LEU 166 CO -0.10 -0.05 0.00 -0.11 0.23 0.00 0.00 176.35 176.32 1ddb n LEU 167 N 4.61 0.00 0.00 1.79 0.00 -1.26 -4.22 117.00 117.92 1ddb n LEU 167 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.82 1ddb n LEU 167 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.90 1ddb n LEU 167 CO 0.26 0.00 0.46 -2.11 0.00 0.00 0.00 177.39 175.99 1ddb n ARG 168 N 0.00 0.00 0.44 1.96 1.85 -1.26 -1.91 116.66 117.74 1ddb n ARG 168 Ca 0.00 0.35 -0.19 0.00 -1.00 0.00 0.00 57.85 57.01 1ddb n ARG 168 Cb 0.00 -1.58 -0.09 0.00 -1.05 0.00 0.00 32.46 29.74 1ddb n ARG 168 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1ddb h ASP 169 N 0.00 -1.01 0.22 2.89 3.32 -1.98 1.98 116.42 121.84 1ddb h ASP 169 Ca 0.00 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1ddb h ASP 169 Cb 0.15 0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1ddb h ASP 169 CO 0.00 -0.69 -0.10 1.62 -1.72 0.00 0.00 179.24 178.34 1ddb h VAL 170 N -1.13 0.86 -0.76 -1.35 3.04 -1.55 -1.62 116.25 113.74 1ddb h VAL 170 Ca -0.11 -0.51 0.09 0.00 -1.01 0.00 0.00 66.70 65.16 1ddb h VAL 170 Cb 0.88 1.16 -0.07 0.00 -2.01 0.00 0.00 31.29 31.25 1ddb h VAL 170 CO 0.16 0.11 0.40 -0.26 -1.01 0.00 0.00 177.57 176.98 1ddb h PHE 171 N -0.55 0.72 -0.54 3.17 -1.00 -1.54 0.64 116.94 117.85 1ddb h PHE 171 Ca -0.03 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ddb h PHE 171 Cb 0.41 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 1ddb h PHE 171 CO 0.01 0.27 0.32 1.25 -1.61 0.00 0.00 178.31 178.55 1ddb h HIS 172 N 0.67 0.69 0.37 -0.55 2.76 0.33 -2.01 115.15 117.41 1ddb h HIS 172 Ca 0.37 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.54 1ddb h HIS 172 Cb 0.37 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 1ddb h HIS 172 CO -0.09 0.47 -0.45 1.15 -1.30 0.00 0.00 177.93 177.71 1ddb h THR 173 N 0.73 0.11 0.45 6.26 2.02 0.14 1.73 112.91 124.36 1ddb h THR 173 Ca 0.19 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 1ddb h THR 173 Cb -0.03 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 1ddb h THR 173 CO -0.04 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.40 1ddb h THR 174 N -0.85 0.10 0.00 3.16 1.03 -1.23 0.17 112.91 115.29 1ddb h THR 174 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1ddb h THR 174 Cb 0.78 0.10 0.00 0.00 -1.07 0.00 0.00 68.15 67.96 1ddb h THR 174 CO -0.11 0.00 0.00 0.52 -0.01 0.00 0.00 175.52 175.92 1ddb n VAL 175 N -5.53 0.00 -0.06 0.00 0.31 -0.78 -2.95 118.33 109.33 1ddb n VAL 175 Ca -0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.19 1ddb n VAL 175 Cb 0.43 -0.49 -0.02 0.00 -0.91 0.00 0.00 33.84 32.85 1ddb n VAL 175 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1ddb h ASN 176 N 0.00 0.00 -0.06 4.52 -1.24 0.56 -2.70 115.58 116.66 1ddb h ASN 176 Ca 0.00 -0.18 0.02 0.00 0.71 0.00 0.00 56.30 56.86 1ddb h ASN 176 Cb 0.00 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 1ddb h ASN 176 CO 0.00 0.61 -0.09 -0.26 -1.29 0.00 0.00 177.43 176.41 1ddb h PHE 177 N -1.00 -0.22 -0.54 0.67 0.04 -1.36 0.31 116.94 114.85 1ddb h PHE 177 Ca -0.00 0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.85 1ddb h PHE 177 Cb 0.22 0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.41 1ddb h PHE 177 CO 0.04 -0.14 0.20 -0.84 -0.60 0.00 0.00 178.31 176.97 1ddb h ILE 178 N -0.12 0.81 -0.47 -0.55 -2.65 -1.73 0.11 117.51 112.91 1ddb h ILE 178 Ca 0.06 -0.13 -0.03 0.00 1.03 0.00 0.00 64.86 65.79 1ddb h ILE 178 Cb 0.20 0.40 -0.02 0.00 -2.05 0.00 0.00 36.82 35.35 1ddb h ILE 178 CO -0.13 0.07 0.18 -0.55 0.03 0.00 0.00 178.15 177.74 1ddb h ASN 179 N 0.38 0.61 0.00 2.16 7.08 -1.05 1.37 115.58 126.12 1ddb h ASN 179 Ca 0.26 -0.07 0.00 0.00 -3.08 0.00 0.00 56.30 53.41 1ddb h ASN 179 Cb 0.29 -0.16 0.00 0.00 -2.08 0.00 0.00 38.32 36.37 1ddb h ASN 179 CO -0.26 0.56 0.00 0.00 -2.08 0.00 0.00 177.43 175.64 1ddb n GLN 180 N -4.35 0.00 0.00 4.14 1.13 0.10 -4.73 117.38 113.67 1ddb n GLN 180 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1ddb n GLN 180 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.51 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ddb n ASN 181 N 0.00 1.07 -1.41 1.08 5.15 -1.13 -4.60 115.26 115.41 1ddb n ASN 181 Ca 0.00 -1.31 0.08 0.00 -0.60 0.00 0.00 54.58 52.75 1ddb n ASN 181 Cb 0.00 0.00 0.31 0.00 -0.53 0.00 0.00 39.78 39.56 1ddb n ASN 181 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ddb n LEU 182 N -0.15 4.17 -3.46 1.20 7.99 -0.91 -4.97 117.00 120.86 1ddb n LEU 182 Ca 0.00 -2.10 -0.49 0.00 -0.01 0.00 0.00 56.01 53.40 1ddb n LEU 182 Cb 0.16 -0.54 -0.09 0.00 -0.11 0.00 0.00 43.42 42.84 1ddb n LEU 182 CO 0.00 0.70 1.19 2.22 -1.51 0.00 0.00 177.39 179.99 1ddb n PHE 183 N 0.92 1.07 -3.12 -1.77 -1.74 0.47 -1.36 117.46 111.93 1ddb n PHE 183 Ca 0.22 0.71 -0.25 0.00 -0.56 0.00 0.00 57.45 57.57 1ddb n PHE 183 Cb 0.79 -1.77 0.02 0.00 1.52 0.00 0.00 39.48 40.03 1ddb n PHE 183 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1ddb n SER 184 N 4.88 -3.81 -0.30 5.98 7.64 -1.26 -4.00 113.62 122.74 1ddb n SER 184 Ca 0.36 -0.38 0.04 0.00 1.01 0.00 0.00 58.87 59.90 1ddb n SER 184 Cb -0.04 -1.17 0.11 0.00 -1.01 0.00 0.00 64.21 62.10 1ddb n SER 184 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddb n TYR 185 N -0.97 0.28 -0.07 1.43 9.36 -0.46 0.20 117.16 126.92 1ddb n TYR 185 Ca -0.14 1.02 -0.07 0.00 3.32 0.00 0.00 57.90 62.02 1ddb n TYR 185 Cb 0.51 -0.97 -0.00 0.00 -0.63 0.00 0.00 39.34 38.25 1ddb n TYR 185 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 1ddb h VAL 186 N 0.00 0.86 -0.67 2.97 3.04 -1.88 -1.59 116.25 118.98 1ddb h VAL 186 Ca 0.39 -0.05 0.09 0.00 -1.01 0.00 0.00 66.70 66.12 1ddb h VAL 186 Cb 0.60 0.70 -0.07 0.00 -2.01 0.00 0.00 31.29 30.51 1ddb h VAL 186 CO -0.86 0.03 0.31 -0.09 -1.01 0.00 0.00 177.57 175.95 1ddb h ARG 187 N 0.15 0.52 -0.72 4.17 9.65 0.20 -0.24 114.38 128.11 1ddb h ARG 187 Ca 0.13 -0.03 0.12 0.00 -1.10 0.00 0.00 59.98 59.09 1ddb h ARG 187 Cb 0.14 -0.12 -0.08 0.00 -1.39 0.00 0.00 29.97 28.52 1ddb h ARG 187 CO -0.18 0.35 0.32 -0.97 2.80 0.00 0.00 179.97 182.29 1ddb h ASN 188 N 0.54 0.36 -0.08 -3.80 -0.73 0.12 0.27 115.58 112.25 1ddb h ASN 188 Ca 0.33 0.08 0.03 0.00 1.87 0.00 0.00 56.30 58.61 1ddb h ASN 188 Cb 0.36 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.96 1ddb h ASN 188 CO -0.27 0.18 -0.08 -0.07 -0.37 0.00 0.00 177.43 176.81 1ddb h LEU 189 N 0.51 -0.26 -0.35 0.34 3.38 -0.40 0.22 115.31 118.76 1ddb h LEU 189 Ca 0.38 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.44 1ddb h LEU 189 Cb 0.49 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1ddb h LEU 189 CO -0.33 -0.12 0.11 1.62 0.09 0.00 0.00 178.44 179.81 1ddb h VAL 190 N -0.11 0.88 -0.58 1.22 3.04 -0.44 -1.27 116.25 118.99 1ddb h VAL 190 Ca 0.06 -0.08 0.07 0.00 -1.01 0.00 0.00 66.70 65.74 1ddb h VAL 190 Cb 0.19 0.61 -0.06 0.00 -2.01 0.00 0.00 31.29 30.02 1ddb h VAL 190 CO -0.15 0.04 0.25 -0.09 -1.01 0.00 0.00 177.57 176.62 1ddb h ARG 191 N 0.25 0.45 -0.32 4.17 1.12 0.14 -1.62 114.38 118.56 1ddb h ARG 191 Ca 0.16 -0.03 0.06 0.00 -1.11 0.00 0.00 59.98 59.06 1ddb h ARG 191 Cb 0.15 -0.10 -0.05 0.00 -0.01 0.00 0.00 29.97 29.96 1ddb h ARG 191 CO -0.18 0.30 -0.01 -0.97 -3.11 0.00 0.00 179.97 175.99 1ddb h ASN 192 N 0.46 -0.16 -0.08 -3.80 -1.24 0.32 -3.47 115.58 107.62 1ddb h ASN 192 Ca 0.28 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.36 1ddb h ASN 192 Cb 0.27 0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1ddb h ASN 192 CO -0.24 -0.05 0.00 1.21 -1.29 0.00 0.00 177.43 177.06 1ddb n GLU 193 N -5.19 0.00 -3.42 6.67 2.13 -0.57 -4.50 120.64 115.77 1ddb n GLU 193 Ca 0.01 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.56 1ddb n GLU 193 Cb 0.17 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.78 1ddb n GLU 193 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1ddb n MET 194 N -0.15 0.55 -0.18 5.31 1.56 -1.26 -5.05 117.12 117.90 1ddb n MET 194 Ca 0.00 -3.39 0.00 0.00 -0.27 0.00 0.00 57.70 54.04 1ddb n MET 194 Cb 0.00 -1.68 0.00 0.00 2.15 0.00 0.00 33.22 33.69 1ddb n MET 194 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77