#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ouu s GLU 2 N 0.00 4.42 -0.11 1.45 0.41 -1.26 -5.02 118.70 118.59 1ouu s GLU 2 Ca 0.00 1.17 0.00 0.00 -0.41 0.00 0.00 54.97 55.73 1ouu s GLU 2 Cb 0.00 -3.51 -0.02 0.00 -1.78 0.00 0.00 34.13 28.82 1ouu s GLU 2 CO 0.00 -0.18 -0.12 -1.58 -0.49 0.00 0.00 175.26 172.89 1ouu s TRP 3 N 1.58 2.82 0.63 1.61 0.52 -1.26 -5.12 118.94 119.73 1ouu s TRP 3 Ca 0.44 -0.46 -0.09 0.00 0.02 0.00 0.00 56.10 56.00 1ouu s TRP 3 Cb -0.18 -1.81 -0.00 0.00 -1.15 0.00 0.00 33.47 30.33 1ouu s TRP 3 CO 0.18 -0.08 0.99 0.95 0.02 0.00 0.00 176.95 179.02 1ouu s THR 4 N 0.06 3.95 0.21 2.01 -4.23 -1.26 -4.92 115.64 111.47 1ouu s THR 4 Ca -0.04 0.40 -0.09 0.00 -1.18 0.00 0.00 61.69 60.78 1ouu s THR 4 Cb -0.14 -3.60 0.15 0.00 1.34 0.00 0.00 72.50 70.25 1ouu s THR 4 CO 0.04 -0.72 1.79 0.44 -0.54 0.00 0.00 174.62 175.63 1ouu h ASP 5 N -0.35 1.03 -0.22 3.99 5.19 -1.99 -1.09 116.42 122.98 1ouu h ASP 5 Ca -0.45 -0.15 -0.09 0.00 -0.62 0.00 0.00 57.03 55.72 1ouu h ASP 5 Cb 1.24 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.46 1ouu h ASP 5 CO 0.62 0.90 -0.15 0.00 -3.12 0.00 0.00 179.24 177.48 1ouu h ALA 6 N 1.18 1.07 -0.32 3.45 0.00 -2.00 -2.53 119.26 120.12 1ouu h ALA 6 Ca 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ouu h ALA 6 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ouu h ALA 6 CO -0.03 0.57 0.21 1.49 0.00 0.00 0.00 179.25 181.49 1ouu h GLU 7 N 0.58 0.43 -0.79 0.00 4.81 -1.78 -1.02 114.58 116.81 1ouu h GLU 7 Ca 0.10 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1ouu h GLU 7 Cb 0.59 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1ouu h GLU 7 CO 0.04 0.29 0.41 0.87 -0.73 0.00 0.00 179.01 179.89 1ouu h LYS 8 N 0.44 1.10 -0.03 1.92 1.57 -1.02 -2.05 116.57 118.49 1ouu h LYS 8 Ca 0.12 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1ouu h LYS 8 Cb -0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1ouu h LYS 8 CO -0.03 0.82 -0.64 0.66 -0.57 0.00 0.00 179.45 179.70 1ouu h SER 9 N 1.10 0.15 -0.34 0.86 4.64 -1.21 -2.07 113.55 116.69 1ouu h SER 9 Ca 0.28 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 1ouu h SER 9 Cb 0.06 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1ouu h SER 9 CO -0.04 0.75 -0.11 0.74 -0.87 0.00 0.00 176.83 177.29 1ouu h THR 10 N 0.09 1.28 0.19 2.95 2.02 -0.70 0.22 112.91 118.96 1ouu h THR 10 Ca -0.01 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 1ouu h THR 10 Cb 1.15 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1ouu h THR 10 CO 0.09 0.39 -0.09 0.40 0.37 0.00 0.00 175.52 176.68 1ouu h ILE 11 N 0.46 0.85 0.00 3.11 1.08 -1.27 0.38 117.51 122.13 1ouu h ILE 11 Ca 0.08 -0.17 -0.05 0.00 -0.39 0.00 0.00 64.86 64.33 1ouu h ILE 11 Cb 0.63 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 1ouu h ILE 11 CO 0.04 0.04 -0.25 0.77 -0.69 0.00 0.00 178.15 178.06 1ouu h SER 12 N -0.34 0.00 -0.36 1.72 4.64 -1.34 0.24 113.55 118.10 1ouu h SER 12 Ca -0.03 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.14 1ouu h SER 12 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1ouu h SER 12 CO 0.04 0.25 -0.36 0.00 -0.87 0.00 0.00 176.83 175.90 1ouu h ALA 13 N 1.75 0.63 -0.13 5.18 0.00 -0.11 -1.24 119.26 125.33 1ouu h ALA 13 Ca -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1ouu h ALA 13 Cb 0.67 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ouu h ALA 13 CO 0.03 0.67 -0.09 0.28 0.00 0.00 0.00 179.25 180.14 1ouu h VAL 14 N 0.75 1.33 -0.18 0.00 2.07 0.10 -3.14 116.25 117.19 1ouu h VAL 14 Ca 0.07 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1ouu h VAL 14 Cb 0.94 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1ouu h VAL 14 CO 0.09 0.35 -0.03 -0.25 0.02 0.00 0.00 177.57 177.75 1ouu h TRP 15 N -0.06 0.26 -0.07 1.57 2.91 -0.59 -3.01 115.95 116.96 1ouu h TRP 15 Ca 0.03 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.05 1ouu h TRP 15 Cb 0.59 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 29.16 1ouu h TRP 15 CO 0.08 0.30 0.06 0.78 -1.03 0.00 0.00 178.44 178.62 1ouu h GLY 16 N 0.57 0.00 0.63 2.65 0.00 -1.17 -2.38 103.07 103.37 1ouu h GLY 16 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1ouu h GLY 16 CO 0.01 0.00 -0.40 0.28 0.00 0.00 0.00 176.54 176.43 1ouu n LYS 17 N -4.12 0.39 -3.07 4.80 5.02 -1.14 -4.89 118.16 115.15 1ouu n LYS 17 Ca -0.01 -0.23 -0.40 0.00 -2.02 0.00 0.00 58.31 55.65 1ouu n LYS 17 Cb 0.16 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1ouu n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ouu s VAL 18 N -2.77 4.97 -0.32 -0.18 1.01 -0.90 -5.05 120.40 117.16 1ouu s VAL 18 Ca 0.17 1.43 -0.04 0.00 0.00 0.00 0.00 61.98 63.54 1ouu s VAL 18 Cb 0.18 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1ouu s VAL 18 CO 0.62 0.30 0.06 0.21 0.00 0.00 0.00 175.10 176.29 1ouu s ASN 19 N 0.46 5.12 0.28 3.32 2.47 -1.26 -4.97 114.94 120.36 1ouu s ASN 19 Ca 0.36 -1.20 0.02 0.00 0.42 0.00 0.00 52.86 52.47 1ouu s ASN 19 Cb -0.18 -1.80 0.70 0.00 -1.45 0.00 0.00 41.25 38.52 1ouu s ASN 19 CO 0.19 -0.30 1.69 0.40 -3.72 0.00 0.00 177.10 175.36 1ouu h ILE 20 N 6.31 0.45 0.00 -5.21 5.03 -1.96 0.44 117.51 122.56 1ouu h ILE 20 Ca -0.22 -0.12 -0.03 0.00 -0.12 0.00 0.00 64.86 64.37 1ouu h ILE 20 Cb 1.07 0.07 -0.00 0.00 -3.03 0.00 0.00 36.82 34.93 1ouu h ILE 20 CO 0.57 0.06 -0.13 0.44 -0.68 0.00 0.00 178.15 178.41 1ouu h ASP 21 N 0.35 0.00 0.00 1.72 5.19 -1.96 0.19 116.42 121.90 1ouu h ASP 21 Ca 0.54 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.83 1ouu h ASP 21 Cb 1.03 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 1ouu h ASP 21 CO -0.55 0.13 -1.12 1.21 -3.12 0.00 0.00 179.24 175.79 1ouu n GLU 22 N -3.68 0.52 -0.12 3.56 2.13 0.12 -4.60 120.64 118.57 1ouu n GLU 22 Ca -0.02 0.41 -0.09 0.00 0.66 0.00 0.00 57.16 58.12 1ouu n GLU 22 Cb 0.25 -1.60 0.05 0.00 0.27 0.00 0.00 31.44 30.41 1ouu n GLU 22 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1ouu h ILE 23 N -1.00 1.27 -0.09 6.31 5.03 -0.60 -3.07 117.51 125.36 1ouu h ILE 23 Ca -0.18 -1.36 0.01 0.00 -0.12 0.00 0.00 64.86 63.21 1ouu h ILE 23 Cb 0.98 1.17 -0.01 0.00 -3.03 0.00 0.00 36.82 35.92 1ouu h ILE 23 CO -0.11 0.46 -0.07 1.23 -0.68 0.00 0.00 178.15 178.99 1ouu h GLY 24 N 0.93 -2.29 0.96 5.37 0.00 -1.13 -2.06 103.07 104.84 1ouu h GLY 24 Ca 0.10 1.03 0.02 0.00 0.00 0.00 0.00 47.33 48.48 1ouu h GLY 24 CO 0.06 -0.84 0.66 -2.55 0.00 0.00 0.00 176.54 173.87 1ouu h PRO 25 N -0.02 1.28 0.06 4.80 0.11 -1.70 -2.83 132.00 133.70 1ouu h PRO 25 Ca 0.01 -0.08 0.02 0.00 0.11 0.00 0.00 66.00 66.07 1ouu h PRO 25 Cb 0.05 -0.29 -0.04 0.00 0.11 0.00 0.00 31.00 30.84 1ouu h PRO 25 CO -0.09 0.85 -0.26 -0.07 -0.21 0.00 0.00 178.00 178.22 1ouu h LEU 26 N 1.32 -0.74 0.22 2.35 3.38 -1.31 -2.42 115.31 118.11 1ouu h LEU 26 Ca 0.38 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 1ouu h LEU 26 Cb -0.10 0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ouu h LEU 26 CO -0.10 -0.33 -0.11 0.00 0.09 0.00 0.00 178.44 177.99 1ouu h ALA 27 N 0.36 -0.30 -0.62 1.53 0.00 -1.38 -2.31 119.26 116.55 1ouu h ALA 27 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ouu h ALA 27 Cb 0.48 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ouu h ALA 27 CO -0.19 -0.59 0.34 1.25 0.00 0.00 0.00 179.25 180.06 1ouu h LEU 28 N -0.46 0.75 -0.49 0.00 5.85 -1.58 -0.67 115.31 118.72 1ouu h LEU 28 Ca -0.03 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 1ouu h LEU 28 Cb 0.35 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1ouu h LEU 28 CO 0.05 0.60 -0.13 0.00 -0.34 0.00 0.00 178.44 178.62 1ouu h ALA 29 N 1.52 0.67 -0.62 1.25 0.00 -1.43 -1.72 119.26 118.93 1ouu h ALA 29 Ca 0.22 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1ouu h ALA 29 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ouu h ALA 29 CO -0.04 0.60 0.04 -0.09 0.00 0.00 0.00 179.25 179.76 1ouu h ARG 30 N 0.81 1.08 -0.52 0.00 2.43 -0.80 -1.64 114.38 115.75 1ouu h ARG 30 Ca 0.12 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 58.98 1ouu h ARG 30 Cb 0.70 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1ouu h ARG 30 CO 0.05 1.03 0.33 0.28 -1.51 0.00 0.00 179.97 180.15 1ouu h VAL 31 N 0.98 1.10 0.00 0.20 2.07 -1.04 0.31 116.25 119.87 1ouu h VAL 31 Ca 0.18 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1ouu h VAL 31 Cb 0.52 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1ouu h VAL 31 CO 0.02 0.12 -0.13 -0.07 0.02 0.00 0.00 177.57 177.54 1ouu h LEU 32 N 0.67 0.00 0.00 2.57 3.38 -0.87 -2.78 115.31 118.27 1ouu h LEU 32 Ca 0.20 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 1ouu h LEU 32 Cb -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1ouu h LEU 32 CO -0.06 0.13 -0.84 0.40 0.09 0.00 0.00 178.44 178.16 1ouu h ILE 33 N 0.00 0.82 -0.13 1.22 2.04 -0.35 -3.32 117.51 117.79 1ouu h ILE 33 Ca -0.00 -1.90 -0.12 0.00 1.00 0.00 0.00 64.86 63.84 1ouu h ILE 33 Cb 0.61 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1ouu h ILE 33 CO 0.02 0.28 -0.45 0.58 0.00 0.00 0.00 178.15 178.58 1ouu h VAL 34 N -1.00 1.32 -2.63 1.67 2.07 -0.49 -3.32 116.25 113.88 1ouu h VAL 34 Ca -0.20 -1.62 -0.61 0.00 0.82 0.00 0.00 66.70 65.08 1ouu h VAL 34 Cb 1.02 1.72 -0.42 0.00 -1.52 0.00 0.00 31.29 32.09 1ouu h VAL 34 CO -0.12 0.49 -0.62 -1.22 0.02 0.00 0.00 177.57 176.11 1ouu n TYR 35 N -4.00 3.06 0.26 1.57 4.01 -1.05 -4.97 117.16 116.05 1ouu n TYR 35 Ca -0.02 -4.17 0.14 0.00 -0.16 0.00 0.00 57.90 53.69 1ouu n TYR 35 Cb 0.52 -0.54 0.73 0.00 -0.31 0.00 0.00 39.34 39.73 1ouu n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1ouu h PRO 36 N 4.83 0.00 0.00 -0.72 0.11 -1.67 -1.37 132.00 133.19 1ouu h PRO 36 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1ouu h PRO 36 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1ouu h PRO 36 CO 0.74 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.86 1ouu n TRP 37 N -2.59 0.63 0.31 0.65 2.14 -1.26 -2.36 117.44 114.96 1ouu n TRP 37 Ca -0.02 0.22 0.16 0.00 2.07 0.00 0.00 57.50 59.93 1ouu n TRP 37 Cb 0.25 -0.86 0.66 0.00 -0.81 0.00 0.00 31.31 30.55 1ouu n TRP 37 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1ouu h THR 38 N 0.00 0.00 -0.69 -1.67 1.35 -1.57 -3.01 112.91 107.33 1ouu h THR 38 Ca 0.00 -0.41 -0.05 0.00 -0.55 0.00 0.00 66.41 65.41 1ouu h THR 38 Cb 0.45 1.33 -0.03 0.00 -1.73 0.00 0.00 68.15 68.17 1ouu h THR 38 CO 0.00 0.00 0.25 1.56 -0.25 0.00 0.00 175.52 177.08 1ouu h GLN 39 N 0.00 1.03 0.00 4.72 4.20 -1.68 -3.00 115.11 120.38 1ouu h GLN 39 Ca 0.00 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1ouu h GLN 39 Cb 0.44 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1ouu h GLN 39 CO 0.00 0.86 0.04 0.07 -0.67 0.00 0.00 178.83 179.13 1ouu h ARG 40 N 1.00 0.00 0.01 1.46 0.11 -1.75 -0.32 114.38 114.89 1ouu h ARG 40 Ca 0.23 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.11 1ouu h ARG 40 Cb 0.23 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 1ouu h ARG 40 CO -0.01 0.00 -0.90 1.88 0.10 0.00 0.00 179.97 181.03 1ouu h TYR 41 N 0.00 0.28 -2.72 4.08 0.05 -1.74 -3.38 116.97 113.53 1ouu h TYR 41 Ca 0.00 -0.16 -0.75 0.00 0.05 0.00 0.00 58.73 57.87 1ouu h TYR 41 Cb 0.09 -0.03 -0.21 0.00 1.01 0.00 0.00 36.73 37.59 1ouu h TYR 41 CO 0.00 0.99 0.92 -0.06 -1.05 0.00 0.00 178.16 178.95 1ouu s PHE 42 N -3.15 3.66 0.02 4.88 0.08 -0.13 -4.94 117.98 118.40 1ouu s PHE 42 Ca -0.03 -2.13 -0.13 0.00 0.12 0.00 0.00 56.93 54.76 1ouu s PHE 42 Cb 0.10 -4.14 -0.07 0.00 -0.57 0.00 0.00 43.02 38.34 1ouu s PHE 42 CO 0.83 -1.26 1.20 0.78 -0.10 0.00 0.00 175.22 176.66 1ouu h GLY 43 N 8.89 -0.60 2.00 4.36 0.00 -1.77 -3.36 103.07 112.58 1ouu h GLY 43 Ca 0.23 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1ouu h GLY 43 CO 1.12 -0.21 0.00 1.48 0.00 0.00 0.00 176.54 178.92 1ouu h SER 44 N -0.44 0.00 -0.15 0.19 4.64 -1.97 -3.37 113.55 112.45 1ouu h SER 44 Ca -0.04 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1ouu h SER 44 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1ouu h SER 44 CO 0.05 0.00 0.41 -0.26 -0.87 0.00 0.00 176.83 176.16 1ouu h PHE 45 N 0.00 0.00 0.00 4.77 -1.00 -1.97 -3.48 116.94 115.26 1ouu h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ouu h PHE 45 Cb 0.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1ouu h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1ouu n GLY 46 N -1.33 0.99 3.44 -1.45 0.00 -1.26 -4.73 105.19 100.85 1ouu n GLY 46 Ca 0.02 -0.98 -0.44 0.00 0.00 0.00 0.00 46.02 44.62 1ouu n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ouu s ASN 47 N -4.00 6.48 0.00 1.61 2.47 -1.26 -4.64 114.94 115.60 1ouu s ASN 47 Ca 0.00 -1.77 0.17 0.00 0.42 0.00 0.00 52.86 51.68 1ouu s ASN 47 Cb 0.00 -2.39 -0.07 0.00 -1.45 0.00 0.00 41.25 37.35 1ouu s ASN 47 CO 0.00 -1.13 0.81 0.52 -3.72 0.00 0.00 177.10 173.58 1ouu n VAL 48 N 5.53 0.00 -0.56 -5.21 0.31 -1.26 -3.69 118.33 113.45 1ouu n VAL 48 Ca 0.14 -0.25 0.47 0.00 -0.01 0.00 0.00 64.34 64.68 1ouu n VAL 48 Cb 0.47 1.13 0.80 0.00 -0.91 0.00 0.00 33.84 35.33 1ouu n VAL 48 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1ouu h SER 49 N 1.21 0.00 -5.52 4.52 4.64 -1.91 -3.40 113.55 113.10 1ouu h SER 49 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1ouu h SER 49 Cb 0.51 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.45 1ouu h SER 49 CO 0.00 0.00 -0.60 0.42 -0.87 0.00 0.00 176.83 175.78 1ouu s THR 50 N -4.89 0.03 0.22 2.95 -4.23 -1.26 -4.96 115.64 103.50 1ouu s THR 50 Ca -0.05 -1.93 -0.08 0.00 -1.18 0.00 0.00 61.69 58.45 1ouu s THR 50 Cb 0.25 -2.32 0.17 0.00 1.34 0.00 0.00 72.50 71.94 1ouu s THR 50 CO 0.86 -0.16 1.80 -0.65 -0.54 0.00 0.00 174.62 175.93 1ouu h PRO 51 N 2.69 1.19 -0.49 3.99 0.11 -1.97 2.24 132.00 139.75 1ouu h PRO 51 Ca -0.35 -0.19 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 1ouu h PRO 51 Cb 1.23 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1ouu h PRO 51 CO 0.54 0.93 -0.03 0.00 -0.21 0.00 0.00 178.00 179.23 1ouu h ALA 52 N 1.20 0.67 0.02 -0.75 0.00 -1.95 1.10 119.26 119.54 1ouu h ALA 52 Ca 0.28 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ouu h ALA 52 Cb 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ouu h ALA 52 CO -0.03 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.72 1ouu h ALA 53 N 0.92 -0.02 0.50 0.00 0.00 -1.58 0.78 119.26 119.85 1ouu h ALA 53 Ca 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ouu h ALA 53 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ouu h ALA 53 CO 0.03 -0.41 -0.24 0.82 0.00 0.00 0.00 179.25 179.45 1ouu h ILE 54 N -0.22 0.50 -0.93 0.00 2.04 0.39 -2.32 117.51 116.97 1ouu h ILE 54 Ca -0.00 -0.07 0.12 0.00 1.00 0.00 0.00 64.86 65.91 1ouu h ILE 54 Cb 0.21 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 1ouu h ILE 54 CO 0.00 0.01 0.60 0.24 0.00 0.00 0.00 178.15 179.00 1ouu h MET 55 N -0.72 0.83 -0.02 2.37 2.86 0.13 -0.91 114.93 119.47 1ouu h MET 55 Ca -0.07 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1ouu h MET 55 Cb 0.54 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1ouu h MET 55 CO 0.11 0.55 0.00 0.41 1.06 0.00 0.00 176.91 179.04 1ouu n GLY 56 N -1.39 -0.41 3.69 8.32 0.00 0.26 -4.87 105.19 110.79 1ouu n GLY 56 Ca 0.17 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1ouu n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ouu s ASN 57 N -1.96 7.17 0.27 1.61 3.84 -0.35 -4.92 114.94 120.60 1ouu s ASN 57 Ca 0.41 1.44 0.15 0.00 0.21 0.00 0.00 52.86 55.06 1ouu s ASN 57 Cb 0.21 -2.52 0.05 0.00 -0.55 0.00 0.00 41.25 38.44 1ouu s ASN 57 CO 0.34 -0.39 1.43 1.55 -2.79 0.00 0.00 177.10 177.24 1ouu h PRO 58 N 7.10 0.00 0.00 0.43 0.13 -1.89 0.11 132.00 137.88 1ouu h PRO 58 Ca -0.32 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.66 1ouu h PRO 58 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1ouu h PRO 58 CO 0.83 0.52 -0.73 0.87 -0.23 0.00 0.00 178.00 179.27 1ouu h LYS 59 N 0.00 0.00 0.19 0.86 1.57 -1.91 -2.30 116.57 114.97 1ouu h LYS 59 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ouu h LYS 59 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1ouu h LYS 59 CO 0.07 0.73 -0.09 0.28 -0.57 0.00 0.00 179.45 179.87 1ouu h VAL 60 N 0.00 0.83 -0.96 0.50 2.07 -1.86 -1.55 116.25 115.28 1ouu h VAL 60 Ca -0.01 -1.02 0.09 0.00 0.82 0.00 0.00 66.70 66.59 1ouu h VAL 60 Cb 1.39 1.36 -0.12 0.00 -1.52 0.00 0.00 31.29 32.39 1ouu h VAL 60 CO 0.09 0.20 -0.57 0.00 0.02 0.00 0.00 177.57 177.32 1ouu h ALA 61 N -0.25 -0.50 -0.79 1.67 0.00 -0.70 -1.12 119.26 117.56 1ouu h ALA 61 Ca -0.03 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ouu h ALA 61 Cb 0.52 1.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 1ouu h ALA 61 CO 0.04 -0.94 0.49 0.00 0.00 0.00 0.00 179.25 178.84 1ouu h ALA 62 N 0.55 1.07 0.00 0.00 0.00 -1.46 -2.32 119.26 117.10 1ouu h ALA 62 Ca 0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1ouu h ALA 62 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ouu h ALA 62 CO -0.92 0.25 -0.33 1.25 0.00 0.00 0.00 179.25 179.50 1ouu h HIS 63 N 0.92 0.00 -0.56 0.00 6.17 -0.17 -1.21 115.15 120.31 1ouu h HIS 63 Ca 0.33 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.39 1ouu h HIS 63 Cb 0.10 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.01 1ouu h HIS 63 CO -0.04 0.33 0.23 0.78 0.71 0.00 0.00 177.93 179.94 1ouu h GLY 64 N 1.30 0.86 2.00 5.26 0.00 -0.75 0.48 103.07 112.22 1ouu h GLY 64 Ca -0.00 -0.42 -0.19 0.00 0.00 0.00 0.00 47.33 46.72 1ouu h GLY 64 CO 0.04 0.40 -0.89 0.50 0.00 0.00 0.00 176.54 176.59 1ouu h LYS 65 N 0.79 0.00 -0.11 4.80 1.57 -1.18 -2.64 116.57 119.80 1ouu h LYS 65 Ca 0.19 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1ouu h LYS 65 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1ouu h LYS 65 CO -0.02 0.89 0.04 0.28 -0.57 0.00 0.00 179.45 180.08 1ouu h VAL 66 N 0.00 1.15 -0.88 0.50 2.07 0.03 -2.45 116.25 116.67 1ouu h VAL 66 Ca -0.01 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.13 1ouu h VAL 66 Cb 1.62 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 32.56 1ouu h VAL 66 CO 0.12 0.13 0.54 0.58 0.02 0.00 0.00 177.57 178.96 1ouu h VAL 67 N 0.02 1.02 -0.23 2.57 2.07 -0.98 -2.50 116.25 118.23 1ouu h VAL 67 Ca 0.04 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1ouu h VAL 67 Cb 0.17 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1ouu h VAL 67 CO -0.00 0.18 -0.18 0.00 0.02 0.00 0.00 177.57 177.59 1ouu h GLY 69 N 0.93 0.34 1.10 0.00 0.00 -0.98 -0.67 103.07 103.77 1ouu h GLY 69 Ca 0.06 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1ouu h GLY 69 CO 0.03 0.23 -0.04 0.00 0.00 0.00 0.00 176.54 176.76 1ouu h ALA 70 N 1.49 0.81 -0.13 3.60 0.00 -1.30 -2.46 119.26 121.27 1ouu h ALA 70 Ca 0.05 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1ouu h ALA 70 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ouu h ALA 70 CO 0.04 0.67 -0.23 -0.07 0.00 0.00 0.00 179.25 179.66 1ouu h LEU 71 N 0.96 0.22 -0.83 0.00 -0.00 -1.12 -2.76 115.31 111.78 1ouu h LEU 71 Ca 0.16 -0.06 -0.10 0.00 -0.00 0.00 0.00 57.88 57.88 1ouu h LEU 71 Cb 0.61 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1ouu h LEU 71 CO 0.04 0.47 -0.19 -0.78 -0.00 0.00 0.00 178.44 177.98 1ouu h ASP 72 N 0.21 0.67 -0.29 -0.43 3.58 -0.68 -1.69 116.42 117.78 1ouu h ASP 72 Ca 0.03 -0.22 -0.08 0.00 0.42 0.00 0.00 57.03 57.19 1ouu h ASP 72 Cb 0.54 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 1ouu h ASP 72 CO 0.04 0.86 -0.07 0.11 -2.88 0.00 0.00 179.24 177.29 1ouu h LYS 73 N 0.59 0.68 -0.32 0.28 1.57 -1.19 0.42 116.57 118.60 1ouu h LYS 73 Ca 0.09 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1ouu h LYS 73 Cb 0.65 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1ouu h LYS 73 CO 0.05 0.75 0.10 0.00 -0.57 0.00 0.00 179.45 179.77 1ouu h ALA 74 N 1.29 0.42 -0.95 3.86 0.00 -1.31 0.77 119.26 123.34 1ouu h ALA 74 Ca 0.12 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ouu h ALA 74 Cb 0.50 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1ouu h ALA 74 CO 0.03 0.07 0.63 0.28 0.00 0.00 0.00 179.25 180.25 1ouu h VAL 75 N 0.36 1.21 -0.36 0.00 2.07 -0.64 -0.85 116.25 118.05 1ouu h VAL 75 Ca 0.10 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 1ouu h VAL 75 Cb 0.26 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1ouu h VAL 75 CO -0.00 0.23 -0.28 0.11 0.02 0.00 0.00 177.57 177.64 1ouu h LYS 76 N 1.25 0.82 -0.92 1.57 6.56 -0.81 -3.35 116.57 121.68 1ouu h LYS 76 Ca 0.36 -0.41 -0.64 0.00 -1.06 0.00 0.00 60.65 58.91 1ouu h LYS 76 Cb -0.09 0.00 -0.33 0.00 -0.57 0.00 0.00 32.23 31.25 1ouu h LYS 76 CO -0.09 1.04 0.37 0.09 -2.06 0.00 0.00 179.45 178.80 1ouu n ASN 77 N -4.19 6.81 0.08 0.86 3.02 0.25 -4.88 115.26 117.21 1ouu n ASN 77 Ca -0.03 -3.78 0.02 0.00 -0.03 0.00 0.00 54.58 50.77 1ouu n ASN 77 Cb 0.48 -0.79 0.12 0.00 -0.61 0.00 0.00 39.78 38.99 1ouu n ASN 77 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1ouu n MET 78 N -0.86 0.03 -0.01 3.52 2.81 -0.36 -1.09 117.12 121.16 1ouu n MET 78 Ca 0.57 0.37 -0.21 0.00 -1.81 0.00 0.00 57.70 56.62 1ouu n MET 78 Cb 0.76 -1.96 -0.14 0.00 -0.71 0.00 0.00 33.22 31.18 1ouu n MET 78 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ouu n GLY 79 N -1.24 -0.59 2.10 3.03 0.00 -1.26 -4.45 105.19 102.79 1ouu n GLY 79 Ca -0.00 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1ouu n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ouu n ASN 80 N -3.61 5.59 -0.19 1.61 3.02 -0.25 -4.71 115.26 116.73 1ouu n ASN 80 Ca -0.33 -3.74 -0.03 0.00 -0.03 0.00 0.00 54.58 50.45 1ouu n ASN 80 Cb 1.00 -0.81 0.16 0.00 -0.61 0.00 0.00 39.78 39.52 1ouu n ASN 80 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ouu h ILE 81 N 1.16 1.23 -0.57 2.41 2.04 -1.76 1.05 117.51 123.07 1ouu h ILE 81 Ca 0.53 -0.75 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 1ouu h ILE 81 Cb 1.56 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1ouu h ILE 81 CO 1.19 0.30 0.07 -0.07 0.00 0.00 0.00 178.15 179.64 1ouu h LEU 82 N 0.95 0.88 -0.02 1.44 3.38 -1.93 -1.68 115.31 118.33 1ouu h LEU 82 Ca 0.22 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ouu h LEU 82 Cb 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ouu h LEU 82 CO -0.02 0.90 -0.02 0.00 0.09 0.00 0.00 178.44 179.39 1ouu h ALA 83 N 1.21 0.03 -0.83 1.53 0.00 -1.71 -3.24 119.26 116.24 1ouu h ALA 83 Ca 0.18 -0.27 0.20 0.00 0.00 0.00 0.00 54.91 55.01 1ouu h ALA 83 Cb 0.41 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.07 1ouu h ALA 83 CO 0.01 -0.19 0.28 1.15 0.00 0.00 0.00 179.25 180.49 1ouu h THR 84 N -0.44 0.47 -0.96 0.00 2.02 0.14 -2.87 112.91 111.27 1ouu h THR 84 Ca 0.00 -0.11 -0.52 0.00 0.77 0.00 0.00 66.41 66.55 1ouu h THR 84 Cb 0.54 0.12 -0.30 0.00 -1.74 0.00 0.00 68.15 66.77 1ouu h THR 84 CO 0.01 0.06 0.67 -1.22 0.37 0.00 0.00 175.52 175.40 1ouu n TYR 85 N -5.12 2.98 0.03 3.16 4.02 -0.66 -4.66 117.16 116.92 1ouu n TYR 85 Ca 0.18 -1.97 -0.19 0.00 -0.01 0.00 0.00 57.90 55.92 1ouu n TYR 85 Cb 0.57 -1.00 -0.09 0.00 -0.02 0.00 0.00 39.34 38.81 1ouu n TYR 85 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1ouu h LYS 86 N 1.11 0.68 0.00 -0.72 1.79 -1.53 -2.35 116.57 115.54 1ouu h LYS 86 Ca 0.61 -0.69 -0.16 0.00 -2.18 0.00 0.00 60.65 58.23 1ouu h LYS 86 Cb 2.52 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 33.33 1ouu h LYS 86 CO 1.14 1.28 -0.76 0.77 -1.08 0.00 0.00 179.45 180.80 1ouu h SER 87 N 0.40 0.00 -0.17 0.86 0.02 -1.85 0.68 113.55 113.48 1ouu h SER 87 Ca -0.11 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.70 1ouu h SER 87 Cb 1.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.17 1ouu h SER 87 CO 0.19 0.76 -0.46 -0.07 -1.14 0.00 0.00 176.83 176.11 1ouu h LEU 88 N 0.00 0.70 -0.26 5.07 3.38 -1.87 -1.13 115.31 121.20 1ouu h LEU 88 Ca -0.01 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 1ouu h LEU 88 Cb 1.41 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1ouu h LEU 88 CO 0.10 1.16 0.07 -1.28 0.09 0.00 0.00 178.44 178.57 1ouu h SER 89 N 0.27 0.39 -0.73 -0.43 0.87 -1.28 -1.16 113.55 111.47 1ouu h SER 89 Ca -0.01 -0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.37 1ouu h SER 89 Cb 1.08 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.89 1ouu h SER 89 CO 0.10 0.51 0.45 -0.33 -0.53 0.00 0.00 176.83 177.03 1ouu h GLU 90 N 0.25 0.82 -0.41 2.24 5.08 -0.83 -1.59 114.58 120.15 1ouu h GLU 90 Ca 0.08 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1ouu h GLU 90 Cb 0.27 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1ouu h GLU 90 CO 0.00 0.54 -0.10 1.79 -1.00 0.00 0.00 179.01 180.25 1ouu h THR 91 N 0.85 1.27 -0.55 1.13 1.35 -0.91 0.88 112.91 116.93 1ouu h THR 91 Ca 0.31 -1.19 -0.05 0.00 -0.55 0.00 0.00 66.41 64.93 1ouu h THR 91 Cb 0.09 1.21 -0.03 0.00 -1.73 0.00 0.00 68.15 67.69 1ouu h THR 91 CO -0.14 0.40 0.15 0.45 -0.25 0.00 0.00 175.52 176.13 1ouu h HIS 92 N 0.60 0.85 0.07 4.73 3.86 -0.90 0.43 115.15 124.80 1ouu h HIS 92 Ca 0.10 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1ouu h HIS 92 Cb 0.63 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1ouu h HIS 92 CO 0.05 0.70 -0.04 0.00 0.86 0.00 0.00 177.93 179.50 1ouu h ALA 93 N 1.36 -0.10 0.00 2.45 0.00 -1.08 0.75 119.26 122.65 1ouu h ALA 93 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ouu h ALA 93 Cb 0.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ouu h ALA 93 CO -0.01 -0.10 -0.72 0.09 0.00 0.00 0.00 179.25 178.52 1ouu n ASN 94 N -4.82 0.66 -0.11 0.00 3.02 0.29 -2.48 115.26 111.82 1ouu n ASN 94 Ca -0.03 0.01 -0.19 0.00 -0.03 0.00 0.00 54.58 54.34 1ouu n ASN 94 Cb 0.12 0.33 -0.09 0.00 -0.61 0.00 0.00 39.78 39.53 1ouu n ASN 94 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ouu n LYS 95 N -2.02 0.50 -0.02 3.52 0.00 -0.34 -4.71 118.16 115.08 1ouu n LYS 95 Ca 0.03 0.16 -0.06 0.00 0.00 0.00 0.00 58.31 58.44 1ouu n LYS 95 Cb 0.43 -1.36 -0.13 0.00 0.00 0.00 0.00 35.03 33.97 1ouu n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ouu n LEU 96 N -3.49 0.64 -3.58 3.14 4.77 -0.00 -5.01 117.00 113.47 1ouu n LEU 96 Ca -0.40 0.30 -0.23 0.00 -0.03 0.00 0.00 56.01 55.65 1ouu n LEU 96 Cb 0.86 0.21 0.08 0.00 -2.33 0.00 0.00 43.42 42.24 1ouu n LEU 96 CO 0.13 0.33 0.20 0.49 -1.33 0.00 0.00 177.39 177.21 1ouu n PHE 97 N -2.91 -2.65 -2.68 -1.77 3.72 0.17 -4.95 117.46 106.39 1ouu n PHE 97 Ca -0.18 0.99 -0.43 0.00 -0.05 0.00 0.00 57.45 57.78 1ouu n PHE 97 Cb 1.00 -4.97 -0.02 0.00 -0.94 0.00 0.00 39.48 34.55 1ouu n PHE 97 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1ouu s VAL 98 N -3.34 4.73 0.10 -4.37 1.01 -0.67 -4.97 120.40 112.91 1ouu s VAL 98 Ca 0.43 2.01 -0.33 0.00 0.00 0.00 0.00 61.98 64.09 1ouu s VAL 98 Cb -0.19 -4.30 -0.13 0.00 0.00 0.00 0.00 36.38 31.76 1ouu s VAL 98 CO 0.74 -0.09 1.69 -0.67 0.00 0.00 0.00 175.10 176.77 1ouu n ASP 99 N 5.73 3.36 0.00 3.32 -0.08 -1.26 -4.79 116.55 122.83 1ouu n ASP 99 Ca 0.10 1.04 0.04 0.00 -1.51 0.00 0.00 54.79 54.47 1ouu n ASP 99 Cb 0.47 -1.44 0.21 0.00 2.34 0.00 0.00 41.12 42.71 1ouu n ASP 99 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1ouu n PRO 100 N 4.47 0.12 0.13 -0.67 -0.04 -1.26 -2.34 135.00 135.40 1ouu n PRO 100 Ca 0.18 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1ouu n PRO 100 Cb 0.30 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.34 1ouu n PRO 100 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1ouu h ASP 101 N 0.00 0.00 -0.07 3.54 3.32 -2.03 -3.16 116.42 118.02 1ouu h ASP 101 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1ouu h ASP 101 Cb 0.08 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1ouu h ASP 101 CO 0.00 0.63 0.10 0.78 -1.72 0.00 0.00 179.24 179.03 1ouu h ASN 102 N 0.00 0.00 -0.59 6.45 2.35 -1.84 -1.38 115.58 120.57 1ouu h ASN 102 Ca -0.01 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1ouu h ASN 102 Cb 1.35 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.70 1ouu h ASN 102 CO 0.08 0.00 0.04 -0.26 -1.65 0.00 0.00 177.43 175.64 1ouu h PHE 103 N 0.00 1.11 -0.11 1.19 0.04 -1.77 -2.37 116.94 115.02 1ouu h PHE 103 Ca 0.03 -0.17 -0.17 0.00 2.80 0.00 0.00 57.97 60.46 1ouu h PHE 103 Cb 0.24 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1ouu h PHE 103 CO 0.00 0.96 -0.66 -0.09 -0.60 0.00 0.00 178.31 177.92 1ouu h ARG 104 N 0.96 0.44 -0.45 1.51 2.43 -1.46 -1.89 114.38 115.91 1ouu h ARG 104 Ca 0.18 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1ouu h ARG 104 Cb 0.49 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1ouu h ARG 104 CO 0.02 0.95 0.26 0.28 -1.51 0.00 0.00 179.97 179.97 1ouu h VAL 105 N 0.32 1.03 0.33 0.20 2.07 -1.44 -1.71 116.25 117.05 1ouu h VAL 105 Ca -0.02 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1ouu h VAL 105 Cb 1.22 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1ouu h VAL 105 CO 0.12 0.10 -0.18 0.25 0.02 0.00 0.00 177.57 177.87 1ouu h LEU 106 N 0.52 -0.44 -1.08 2.57 6.46 -1.33 -1.09 115.31 120.92 1ouu h LEU 106 Ca 0.19 0.02 0.16 0.00 -0.12 0.00 0.00 57.88 58.12 1ouu h LEU 106 Cb 0.03 0.12 -0.09 0.00 -0.73 0.00 0.00 40.66 40.00 1ouu h LEU 106 CO -0.10 -0.30 0.62 0.00 -0.62 0.00 0.00 178.44 178.04 1ouu h ALA 107 N 0.18 1.68 -0.28 1.25 0.00 -1.19 -0.39 119.26 120.51 1ouu h ALA 107 Ca -0.04 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1ouu h ALA 107 Cb 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ouu h ALA 107 CO 0.06 0.02 -0.47 -0.44 0.00 0.00 0.00 179.25 178.42 1ouu h ASP 108 N 0.82 0.89 -0.36 0.00 3.32 -1.02 -2.56 116.42 117.51 1ouu h ASP 108 Ca 0.52 -0.52 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1ouu h ASP 108 Cb 0.74 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1ouu h ASP 108 CO -0.30 1.25 -0.40 0.58 -1.72 0.00 0.00 179.24 178.65 1ouu h VAL 109 N 0.57 1.27 -0.86 -1.35 2.07 -0.45 -2.54 116.25 114.96 1ouu h VAL 109 Ca 0.02 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 65.98 1ouu h VAL 109 Cb 1.07 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 1ouu h VAL 109 CO 0.11 0.52 0.57 0.25 0.02 0.00 0.00 177.57 179.04 1ouu h LEU 110 N 0.74 0.98 -0.69 2.57 7.12 -1.11 -1.81 115.31 123.11 1ouu h LEU 110 Ca 0.06 -0.02 -0.06 0.00 0.13 0.00 0.00 57.88 57.98 1ouu h LEU 110 Cb 0.99 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 40.85 1ouu h LEU 110 CO 0.10 0.71 0.20 0.74 -0.13 0.00 0.00 178.44 180.05 1ouu h THR 111 N 1.16 1.26 -0.30 1.05 2.02 -1.29 -2.05 112.91 114.76 1ouu h THR 111 Ca 0.32 -0.92 -0.06 0.00 0.77 0.00 0.00 66.41 66.52 1ouu h THR 111 Cb -0.13 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1ouu h THR 111 CO -0.07 0.35 -0.07 0.40 0.37 0.00 0.00 175.52 176.50 1ouu h ILE 112 N 1.03 1.21 -0.24 3.11 2.04 -0.91 -1.72 117.51 122.03 1ouu h ILE 112 Ca 0.22 -0.90 -0.08 0.00 1.00 0.00 0.00 64.86 65.11 1ouu h ILE 112 Cb 0.33 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1ouu h ILE 112 CO -0.00 0.30 -0.16 0.58 0.00 0.00 0.00 178.15 178.87 1ouu h VAL 113 N 0.46 1.31 -0.19 1.67 2.07 -1.29 -1.52 116.25 118.76 1ouu h VAL 113 Ca 0.09 -1.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.26 1ouu h VAL 113 Cb 0.41 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1ouu h VAL 113 CO 0.02 0.39 -0.24 0.40 0.02 0.00 0.00 177.57 178.16 1ouu h ILE 114 N 0.23 1.25 -0.02 4.57 2.04 -1.13 0.23 117.51 124.69 1ouu h ILE 114 Ca 0.05 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 1ouu h ILE 114 Cb 0.68 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1ouu h ILE 114 CO 0.04 0.36 -0.01 0.00 0.00 0.00 0.00 178.15 178.55 1ouu h ALA 115 N 1.44 0.03 -0.34 1.87 0.00 -1.23 0.52 119.26 121.55 1ouu h ALA 115 Ca 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1ouu h ALA 115 Cb 0.60 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ouu h ALA 115 CO 0.04 -0.26 0.08 0.00 0.00 0.00 0.00 179.25 179.11 1ouu h ALA 116 N 0.61 1.51 -0.05 0.00 0.00 -1.09 1.00 119.26 121.23 1ouu h ALA 116 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1ouu h ALA 116 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ouu h ALA 116 CO 0.00 0.37 -0.19 -0.22 0.00 0.00 0.00 179.25 179.21 1ouu h LYS 117 N 0.49 0.21 0.00 0.00 1.63 -0.79 -3.31 116.57 114.80 1ouu h LYS 117 Ca 0.12 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1ouu h LYS 117 Cb 0.20 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1ouu h LYS 117 CO -0.00 0.80 -0.44 0.74 -3.45 0.00 0.00 179.45 177.10 1ouu h PHE 118 N -0.33 0.00 0.00 1.91 -1.00 0.35 -3.50 116.94 114.37 1ouu h PHE 118 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1ouu h PHE 118 Cb 0.83 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.39 1ouu h PHE 118 CO 0.14 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.25 1ouu n GLY 119 N 1.26 1.14 0.16 -1.45 0.00 0.34 -2.78 105.19 103.86 1ouu n GLY 119 Ca 0.03 -0.57 0.07 0.00 0.00 0.00 0.00 46.02 45.54 1ouu n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ouu n ALA 120 N 4.87 0.62 1.21 4.61 0.00 -1.26 -0.90 120.51 129.66 1ouu n ALA 120 Ca 0.00 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.70 1ouu n ALA 120 Cb 0.00 -0.78 0.54 0.00 0.00 0.00 0.00 19.45 19.21 1ouu n ALA 120 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ouu n SER 121 N -2.03 0.34 -4.49 0.00 3.41 -1.12 -4.27 113.62 105.46 1ouu n SER 121 Ca -0.01 -0.21 -0.44 0.00 -0.26 0.00 0.00 58.87 57.95 1ouu n SER 121 Cb 0.32 -0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1ouu n SER 121 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ouu s PHE 122 N -2.73 3.28 0.58 7.33 5.36 -0.08 -4.99 117.98 126.73 1ouu s PHE 122 Ca 0.21 -1.90 -0.09 0.00 -0.96 0.00 0.00 56.93 54.20 1ouu s PHE 122 Cb 0.19 -4.41 -0.03 0.00 -0.34 0.00 0.00 43.02 38.43 1ouu s PHE 122 CO 0.54 -1.51 0.94 0.95 -1.46 0.00 0.00 175.22 174.68 1ouu s THR 123 N 2.35 4.64 0.23 0.12 -4.23 -1.26 -4.80 115.64 112.70 1ouu s THR 123 Ca 0.44 0.57 -0.11 0.00 -1.18 0.00 0.00 61.69 61.41 1ouu s THR 123 Cb -0.02 -3.82 0.29 0.00 1.34 0.00 0.00 72.50 70.30 1ouu s THR 123 CO -0.00 -0.98 1.61 -0.65 -0.54 0.00 0.00 174.62 174.07 1ouu h PRO 124 N -0.14 0.02 -0.28 3.99 0.11 -1.95 1.08 132.00 134.84 1ouu h PRO 124 Ca -0.45 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1ouu h PRO 124 Cb 1.20 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1ouu h PRO 124 CO 0.62 0.02 0.12 0.93 -0.21 0.00 0.00 178.00 179.47 1ouu h GLU 125 N 0.02 0.25 0.05 1.05 3.07 -1.98 0.35 114.58 117.40 1ouu h GLU 125 Ca 0.37 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1ouu h GLU 125 Cb 0.59 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1ouu h GLU 125 CO -0.73 0.16 -0.03 0.82 -1.40 0.00 0.00 179.01 177.83 1ouu h ILE 126 N 0.25 1.17 -0.78 3.13 2.04 -1.34 -1.78 117.51 120.21 1ouu h ILE 126 Ca 0.12 -0.76 0.18 0.00 1.00 0.00 0.00 64.86 65.40 1ouu h ILE 126 Cb 0.06 1.67 -0.12 0.00 -0.74 0.00 0.00 36.82 37.70 1ouu h ILE 126 CO -0.10 0.19 0.21 -0.61 0.00 0.00 0.00 178.15 177.84 1ouu h GLN 127 N -0.41 0.27 -0.87 2.37 4.15 0.14 0.49 115.11 121.25 1ouu h GLN 127 Ca -0.01 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.43 1ouu h GLN 127 Cb 0.37 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 1ouu h GLN 127 CO 0.01 0.18 0.56 0.00 -1.93 0.00 0.00 178.83 177.65 1ouu h ALA 128 N 1.65 1.16 0.00 3.38 0.00 0.02 0.16 119.26 125.62 1ouu h ALA 128 Ca 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ouu h ALA 128 Cb 0.81 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ouu h ALA 128 CO -0.54 0.39 -0.55 0.00 0.00 0.00 0.00 179.25 178.55 1ouu h THR 129 N 1.08 0.00 -0.46 0.00 1.03 0.65 -2.47 112.91 112.74 1ouu h THR 129 Ca 0.35 -0.64 -0.07 0.00 -0.01 0.00 0.00 66.41 66.04 1ouu h THR 129 Cb 0.03 1.31 -0.02 0.00 -1.07 0.00 0.00 68.15 68.41 1ouu h THR 129 CO -0.13 0.00 0.02 -0.25 -0.01 0.00 0.00 175.52 175.15 1ouu h TRP 130 N 0.00 0.86 -0.54 0.00 2.91 0.09 -2.56 115.95 116.71 1ouu h TRP 130 Ca 0.00 -0.14 -0.09 0.00 1.13 0.00 0.00 58.89 59.79 1ouu h TRP 130 Cb 0.82 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 29.22 1ouu h TRP 130 CO 0.00 0.83 -0.03 0.37 -1.03 0.00 0.00 178.44 178.58 1ouu h GLN 131 N 0.64 0.94 -0.75 2.65 5.75 -0.65 -1.13 115.11 122.57 1ouu h GLN 131 Ca 0.13 -0.29 -0.06 0.00 -0.15 0.00 0.00 58.65 58.28 1ouu h GLN 131 Cb 0.47 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 1ouu h GLN 131 CO 0.02 0.95 0.24 -0.22 -2.65 0.00 0.00 178.83 177.17 1ouu h LYS 132 N 0.86 1.15 -0.58 1.69 3.64 -1.31 -2.53 116.57 119.50 1ouu h LYS 132 Ca 0.15 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 1ouu h LYS 132 Cb 0.54 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1ouu h LYS 132 CO 0.03 0.97 0.03 0.35 -2.27 0.00 0.00 179.45 178.56 1ouu h PHE 133 N 1.11 1.08 -0.47 1.91 3.57 -1.10 -2.72 116.94 120.32 1ouu h PHE 133 Ca 0.24 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1ouu h PHE 133 Cb 0.30 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1ouu h PHE 133 CO 0.02 0.96 0.05 0.52 -2.23 0.00 0.00 178.31 177.64 1ouu h MET 134 N 0.89 0.73 -0.02 1.11 2.86 -1.16 -1.86 114.93 117.48 1ouu h MET 134 Ca 0.17 -0.17 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1ouu h MET 134 Cb 0.51 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1ouu h MET 134 CO 0.02 0.71 -0.76 1.57 1.06 0.00 0.00 176.91 179.51 1ouu h LYS 135 N 0.70 0.20 -0.35 1.72 2.10 -1.32 -1.24 116.57 118.37 1ouu h LYS 135 Ca 0.15 -0.18 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 1ouu h LYS 135 Cb 0.35 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.71 1ouu h LYS 135 CO 0.01 0.87 0.13 0.28 -2.00 0.00 0.00 179.45 178.74 1ouu h VAL 136 N 0.13 1.19 -0.56 0.07 2.07 -1.33 -0.05 116.25 117.78 1ouu h VAL 136 Ca -0.03 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1ouu h VAL 136 Cb 1.34 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1ouu h VAL 136 CO 0.12 0.21 0.34 0.58 0.02 0.00 0.00 177.57 178.84 1ouu h VAL 137 N 0.42 1.07 -0.63 2.57 2.07 -1.24 0.15 116.25 120.67 1ouu h VAL 137 Ca 0.12 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1ouu h VAL 137 Cb 0.21 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1ouu h VAL 137 CO -0.01 0.12 0.08 0.58 0.02 0.00 0.00 177.57 178.36 1ouu h VAL 138 N 0.68 1.26 0.65 2.57 2.07 -1.04 -1.29 116.25 121.15 1ouu h VAL 138 Ca 0.22 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1ouu h VAL 138 Cb 0.00 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1ouu h VAL 138 CO -0.09 0.39 -0.36 0.00 0.02 0.00 0.00 177.57 177.53 1ouu h ALA 139 N 1.09 -0.95 -0.91 1.67 0.00 -0.46 -2.16 119.26 117.54 1ouu h ALA 139 Ca 0.19 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1ouu h ALA 139 Cb 0.46 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 1ouu h ALA 139 CO 0.02 -1.04 0.53 0.00 0.00 0.00 0.00 179.25 178.75 1ouu h ALA 140 N -0.63 1.38 -0.28 0.00 0.00 -0.50 -1.88 119.26 117.35 1ouu h ALA 140 Ca -0.08 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1ouu h ALA 140 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ouu h ALA 140 CO 0.11 0.06 -0.23 0.52 0.00 0.00 0.00 179.25 179.70 1ouu h MET 141 N 0.80 0.52 -0.64 0.00 2.86 -1.16 -2.90 114.93 114.42 1ouu h MET 141 Ca 0.47 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1ouu h MET 141 Cb 0.57 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1ouu h MET 141 CO -0.31 0.72 0.00 0.41 1.06 0.00 0.00 176.91 178.79 1ouu n GLY 142 N -0.39 2.42 0.23 8.32 0.00 -0.77 -4.51 105.19 110.49 1ouu n GLY 142 Ca -0.00 -0.75 0.15 0.00 0.00 0.00 0.00 46.02 45.42 1ouu n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ouu h SER 143 N 3.61 0.00 0.00 1.61 4.64 -1.16 -3.27 113.55 118.98 1ouu h SER 143 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ouu h SER 143 Cb 1.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1ouu h SER 143 CO 0.23 0.00 -0.37 0.54 -0.87 0.00 0.00 176.83 176.36 1ouu n ARG 144 N -2.86 1.50 -3.05 4.77 5.12 -1.26 -4.92 116.66 115.96 1ouu n ARG 144 Ca 0.01 -3.11 -0.44 0.00 -1.93 0.00 0.00 57.85 52.39 1ouu n ARG 144 Cb 0.32 -1.59 -0.05 0.00 -1.16 0.00 0.00 32.46 29.98 1ouu n ARG 144 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1ouu s TYR 145 N -3.14 2.93 0.00 -1.55 1.51 -1.24 -4.81 117.35 111.06 1ouu s TYR 145 Ca 0.36 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1ouu s TYR 145 Cb 0.35 -3.91 0.00 0.00 -0.11 0.00 0.00 41.96 38.28 1ouu s TYR 145 CO -0.04 -1.28 0.03 1.19 -1.11 0.00 0.00 175.55 174.34