#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thq h THR 8 N 0.00 1.33 -0.45 12.58 2.02 -2.05 -0.87 112.91 125.47 1thq h THR 8 Ca 0.00 -1.61 -0.11 0.00 0.77 0.00 0.00 66.41 65.46 1thq h THR 8 Cb 0.00 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1thq h THR 8 CO 0.00 0.47 -0.17 0.15 0.37 0.00 0.00 175.52 176.34 1thq h PHE 9 N 0.05 0.99 -0.05 3.16 3.57 -2.05 -0.58 116.94 122.02 1thq h PHE 9 Ca 0.00 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.27 1thq h PHE 9 Cb 0.84 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 1thq h PHE 9 CO 0.00 0.97 -0.06 0.00 -2.23 0.00 0.00 178.31 177.00 1thq h ARG 10 N 0.77 0.12 -0.41 1.11 3.08 -1.95 -2.54 114.38 114.57 1thq h ARG 10 Ca 0.11 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.18 1thq h ARG 10 Cb 0.70 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.67 1thq h ARG 10 CO 0.05 0.60 -0.15 0.93 -1.07 0.00 0.00 179.97 180.34 1thq h GLU 11 N -0.35 -0.06 -0.11 0.04 5.08 -1.21 -2.71 114.58 115.26 1thq h GLU 11 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1thq h GLU 11 Cb 0.58 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1thq h GLU 11 CO 0.01 -0.04 0.07 -0.91 -1.00 0.00 0.00 179.01 177.15 1thq h ASN 12 N -0.06 0.12 -0.18 1.42 2.35 -1.11 -2.15 115.58 115.98 1thq h ASN 12 Ca 0.20 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.98 1thq h ASN 12 Cb 0.36 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 1thq h ASN 12 CO -0.45 0.09 -0.03 0.40 -1.65 0.00 0.00 177.43 175.78 1thq h ILE 13 N 0.14 0.84 -0.56 2.81 2.04 -1.45 -2.36 117.51 118.97 1thq h ILE 13 Ca 0.04 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1thq h ILE 13 Cb -0.02 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 1thq h ILE 13 CO -0.01 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.36 1thq h ALA 14 N 1.17 0.71 -0.48 1.87 0.00 -1.43 -0.36 119.26 120.74 1thq h ALA 14 Ca 0.08 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1thq h ALA 14 Cb 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1thq h ALA 14 CO -0.17 -0.18 0.12 0.37 0.00 0.00 0.00 179.25 179.39 1thq h GLN 15 N 0.41 0.72 -0.42 0.00 4.15 -0.89 1.27 115.11 120.35 1thq h GLN 15 Ca 0.27 -0.13 -0.12 0.00 0.77 0.00 0.00 58.65 59.44 1thq h GLN 15 Cb 0.29 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1thq h GLN 15 CO -0.26 0.65 -0.22 1.15 -1.93 0.00 0.00 178.83 178.22 1thq h THR 16 N 0.70 1.27 -0.13 2.39 2.02 -0.95 0.21 112.91 118.42 1thq h THR 16 Ca 0.16 -1.36 -0.02 0.00 0.77 0.00 0.00 66.41 65.96 1thq h THR 16 Cb 0.25 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1thq h THR 16 CO -0.00 0.46 0.00 -0.25 0.37 0.00 0.00 175.52 176.10 1thq h TRP 17 N 0.74 0.24 0.18 3.16 2.91 0.14 -3.09 115.95 120.23 1thq h TRP 17 Ca 0.10 -0.04 -0.35 0.00 1.13 0.00 0.00 58.89 59.73 1thq h TRP 17 Cb 0.76 -0.06 0.01 0.00 -0.51 0.00 0.00 29.16 29.36 1thq h TRP 17 CO 0.04 0.44 -1.74 1.96 -1.03 0.00 0.00 178.44 178.11 1thq h GLN 18 N -0.04 0.38 -2.13 2.65 4.20 0.14 -3.40 115.11 116.91 1thq h GLN 18 Ca 0.04 -0.66 -0.56 0.00 0.06 0.00 0.00 58.65 57.53 1thq h GLN 18 Cb 0.35 0.24 -0.41 0.00 0.30 0.00 0.00 27.48 27.96 1thq h GLN 18 CO 0.01 1.31 -0.87 1.04 -0.67 0.00 0.00 178.83 179.65 1thq n GLN 19 N -3.61 1.99 -1.75 1.46 6.02 0.72 -5.07 117.38 117.14 1thq n GLN 19 Ca -0.25 -4.11 -0.33 0.00 -0.01 0.00 0.00 57.00 52.30 1thq n GLN 19 Cb 1.06 -1.91 0.05 0.00 1.02 0.00 0.00 30.24 30.46 1thq n GLN 19 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1thq s PRO 20 N -2.55 2.81 -0.04 -1.09 0.04 -1.17 -4.69 135.00 128.32 1thq s PRO 20 Ca 0.42 1.36 0.11 0.00 0.04 0.00 0.00 61.00 62.93 1thq s PRO 20 Cb 0.25 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.67 1thq s PRO 20 CO -0.09 -1.24 0.20 0.39 0.04 0.00 0.00 177.00 176.30 1thq n GLU 21 N -2.45 0.89 -4.08 4.56 1.02 0.80 -4.98 120.64 116.40 1thq n GLU 21 Ca 0.10 -0.08 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 1thq n GLU 21 Cb 0.52 -1.28 -0.09 0.00 -0.02 0.00 0.00 31.44 30.56 1thq n GLU 21 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1thq s HIS 22 N -2.67 0.60 0.23 -0.32 3.76 -0.52 -4.85 115.29 111.52 1thq s HIS 22 Ca -0.05 -1.05 0.09 0.00 -0.15 0.00 0.00 55.06 53.90 1thq s HIS 22 Cb 0.06 -0.36 -0.04 0.00 1.11 0.00 0.00 32.58 33.35 1thq s HIS 22 CO 0.48 -0.48 -0.06 1.52 -0.85 0.00 0.00 174.74 175.35 1thq s TYR 23 N -3.97 2.63 0.07 1.40 -0.85 -1.21 -1.54 117.35 113.89 1thq s TYR 23 Ca 0.14 -0.23 0.05 0.00 -0.52 0.00 0.00 57.07 56.51 1thq s TYR 23 Cb 0.07 -1.22 -0.03 0.00 0.38 0.00 0.00 41.96 41.16 1thq s TYR 23 CO -0.05 0.58 -0.15 -0.51 -1.52 0.00 0.00 175.55 173.91 1thq s ASP 24 N -3.26 1.72 -0.10 -0.18 1.11 0.05 -0.44 116.67 115.57 1thq s ASP 24 Ca 0.28 -0.60 -0.00 0.00 0.18 0.00 0.00 52.55 52.41 1thq s ASP 24 Cb -0.07 -0.06 -0.03 0.00 1.07 0.00 0.00 42.92 43.83 1thq s ASP 24 CO 0.17 -0.05 -0.08 -0.22 1.18 0.00 0.00 175.17 176.17 1thq s LEU 25 N -1.66 3.03 -0.16 1.23 2.96 -0.34 -1.10 118.68 122.64 1thq s LEU 25 Ca -0.01 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 1thq s LEU 25 Cb -0.10 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 1thq s LEU 25 CO 0.02 0.26 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.85 1thq s TYR 26 N -0.21 2.78 -0.13 5.38 1.51 0.05 -0.42 117.35 126.30 1thq s TYR 26 Ca 0.02 -1.09 -0.00 0.00 -1.01 0.00 0.00 57.07 55.00 1thq s TYR 26 Cb -0.13 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.85 1thq s TYR 26 CO 0.03 -0.50 -0.10 0.42 -1.11 0.00 0.00 175.55 174.28 1thq s ILE 27 N 0.86 1.28 0.43 2.71 -1.09 -0.06 -1.33 121.20 123.99 1thq s ILE 27 Ca -0.05 -0.46 -0.25 0.00 -2.23 0.00 0.00 60.65 57.66 1thq s ILE 27 Cb -0.15 -1.26 -0.09 0.00 -1.58 0.00 0.00 42.46 39.38 1thq s ILE 27 CO -0.01 0.40 1.31 -2.65 -1.23 0.00 0.00 174.94 172.76 1thq n PRO 28 N 4.86 2.02 0.01 2.79 -0.02 -1.26 -0.26 135.00 143.14 1thq n PRO 28 Ca -0.14 0.72 -0.02 0.00 -2.02 0.00 0.00 63.50 62.03 1thq n PRO 28 Cb 0.50 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 1thq n PRO 28 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1thq n ALA 29 N -0.20 2.75 -3.46 3.55 0.00 0.35 -4.53 120.51 118.98 1thq n ALA 29 Ca 0.06 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 1thq n ALA 29 Cb 0.40 0.33 -0.05 0.00 0.00 0.00 0.00 19.45 20.13 1thq n ALA 29 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1thq s ILE 30 N -2.09 0.01 0.00 0.00 2.07 -1.05 -4.50 121.20 115.63 1thq s ILE 30 Ca -0.04 -0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 1thq s ILE 30 Cb 0.01 -0.99 -0.01 0.00 0.13 0.00 0.00 42.46 41.61 1thq s ILE 30 CO 0.06 -0.03 -0.06 0.28 -1.91 0.00 0.00 174.94 173.29 1thq s THR 31 N -2.01 0.43 0.06 4.00 -1.32 -1.26 -0.69 115.64 114.85 1thq s THR 31 Ca -0.07 -0.31 -0.13 0.00 -1.21 0.00 0.00 61.69 59.96 1thq s THR 31 Cb -0.00 -0.38 0.02 0.00 -1.51 0.00 0.00 72.50 70.62 1thq s THR 31 CO 0.02 0.07 0.29 -1.66 -2.21 0.00 0.00 174.62 171.14 1thq s TRP 32 N -0.25 -0.07 0.07 9.09 -2.14 -0.63 -4.99 118.94 120.02 1thq s TRP 32 Ca 0.01 -0.12 -0.30 0.00 2.66 0.00 0.00 56.10 58.35 1thq s TRP 32 Cb -0.03 0.09 -0.05 0.00 -3.10 0.00 0.00 33.47 30.38 1thq s TRP 32 CO -0.00 -0.52 1.04 -1.01 -2.66 0.00 0.00 176.95 173.79 1thq s HIS 33 N -2.84 3.65 -0.01 1.66 3.76 -1.26 -0.23 115.29 120.01 1thq s HIS 33 Ca -0.03 1.63 -0.37 0.00 -0.15 0.00 0.00 55.06 56.14 1thq s HIS 33 Cb 0.00 -3.19 -0.16 0.00 1.11 0.00 0.00 32.58 30.35 1thq s HIS 33 CO -0.05 -0.29 1.51 0.00 -0.85 0.00 0.00 174.74 175.06 1thq n ALA 34 N 3.35 -0.35 -1.04 -1.40 0.00 -1.14 -0.57 120.51 119.35 1thq n ALA 34 Ca 0.05 0.46 -0.01 0.00 0.00 0.00 0.00 53.44 53.94 1thq n ALA 34 Cb 0.49 -2.18 -0.01 0.00 0.00 0.00 0.00 19.45 17.75 1thq n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1thq n ARG 35 N 3.64 -1.10 -3.20 0.00 1.74 -1.26 -2.94 116.66 113.54 1thq n ARG 35 Ca 0.21 0.36 -0.15 0.00 -0.77 0.00 0.00 57.85 57.49 1thq n ARG 35 Cb 0.19 -4.23 0.06 0.00 -1.02 0.00 0.00 32.46 27.47 1thq n ARG 35 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1thq n PHE 36 N -2.46 -1.90 0.29 -1.55 0.99 0.26 -5.29 117.46 107.81 1thq n PHE 36 Ca -0.01 0.73 0.17 0.00 -0.00 0.00 0.00 57.45 58.33 1thq n PHE 36 Cb 0.30 -4.16 0.66 0.00 -1.00 0.00 0.00 39.48 35.27 1thq n PHE 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1thq h ALA 37 N 0.72 1.00 -1.78 4.37 0.00 -1.65 -3.49 119.26 118.43 1thq h ALA 37 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1thq h ALA 37 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1thq h ALA 37 CO 0.40 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.74 1thq n GLU 48 N -2.98 0.00 -1.76 0.00 2.13 -1.26 -4.71 120.64 112.07 1thq n GLU 48 Ca 0.01 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.48 1thq n GLU 48 Cb 0.30 -0.34 0.06 0.00 0.27 0.00 0.00 31.44 31.72 1thq n GLU 48 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1thq s ARG 49 N -1.20 2.64 0.53 5.31 1.70 -1.26 -4.96 118.95 121.71 1thq s ARG 49 Ca 0.00 1.71 -0.22 0.00 -0.47 0.00 0.00 55.73 56.75 1thq s ARG 49 Cb 0.00 -1.90 -0.05 0.00 -0.57 0.00 0.00 34.95 32.43 1thq s ARG 49 CO 0.00 -1.44 1.38 -2.14 -1.08 0.00 0.00 175.30 172.03 1thq s PRO 50 N -3.69 3.23 0.55 3.89 0.02 -1.26 -4.95 135.00 132.78 1thq s PRO 50 Ca 0.74 2.30 -0.21 0.00 0.02 0.00 0.00 61.00 63.85 1thq s PRO 50 Cb -0.28 -2.34 -0.05 0.00 0.02 0.00 0.00 34.50 31.86 1thq s PRO 50 CO 0.39 -1.14 1.33 -0.46 -0.33 0.00 0.00 177.00 176.78 1thq s TRP 51 N -1.27 2.33 0.00 6.54 -0.00 -1.26 -4.65 118.94 120.63 1thq s TRP 51 Ca 0.70 1.40 0.00 0.00 -0.00 0.00 0.00 56.10 58.20 1thq s TRP 51 Cb -0.42 -3.74 0.00 0.00 -0.00 0.00 0.00 33.47 29.32 1thq s TRP 51 CO 0.50 -2.73 0.00 0.41 -0.00 0.00 0.00 176.95 175.13 1thq n GLY 52 N 0.70 0.01 0.00 5.86 0.00 -1.26 -4.59 105.19 105.90 1thq n GLY 52 Ca 0.11 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1thq n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thq n GLY 53 N 0.00 0.68 3.80 -0.02 0.00 -0.95 -4.46 105.19 104.25 1thq n GLY 53 Ca 0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1thq n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1thq s GLY 54 N 0.00 0.30 0.14 -0.02 0.00 -0.44 -0.74 107.32 106.57 1thq s GLY 54 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 1thq s GLY 54 CO 0.00 -0.30 0.15 -0.11 0.00 0.00 0.00 173.10 172.84 1thq s PHE 55 N -2.89 0.68 0.16 1.90 -0.12 -0.73 -0.77 117.98 116.21 1thq s PHE 55 Ca 0.15 -1.05 -0.21 0.00 -0.05 0.00 0.00 56.93 55.77 1thq s PHE 55 Cb -0.05 -0.31 0.07 0.00 -0.63 0.00 0.00 43.02 42.10 1thq s PHE 55 CO 0.11 -0.60 1.01 0.41 -0.05 0.00 0.00 175.22 176.10 1thq n GLY 56 N -0.14 0.59 3.51 1.99 0.00 -0.26 -1.16 105.19 109.72 1thq n GLY 56 Ca -0.06 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1thq n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1thq s LEU 57 N 0.00 2.80 0.26 0.99 1.43 0.74 -0.77 118.68 124.13 1thq s LEU 57 Ca 0.23 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 1thq s LEU 57 Cb -0.03 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.59 1thq s LEU 57 CO 0.05 0.17 0.59 -0.94 0.23 0.00 0.00 176.35 176.45 1thq s SER 58 N -2.22 -0.17 0.00 2.29 1.04 -0.59 -0.67 113.70 113.39 1thq s SER 58 Ca 0.19 -0.77 -0.24 0.00 0.48 0.00 0.00 55.95 55.61 1thq s SER 58 Cb -0.11 0.65 0.05 0.00 0.10 0.00 0.00 66.02 66.72 1thq s SER 58 CO 0.11 -1.24 0.53 0.00 0.98 0.00 0.00 173.24 173.63 1thq s ARG 59 N -3.97 0.97 -0.20 4.02 1.70 -0.62 -0.14 118.95 120.70 1thq s ARG 59 Ca 0.17 -0.07 -0.10 0.00 -0.47 0.00 0.00 55.73 55.26 1thq s ARG 59 Cb -0.03 0.45 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 1thq s ARG 59 CO 0.08 -0.32 0.13 -1.58 -1.08 0.00 0.00 175.30 172.52 1thq s TRP 60 N -1.82 3.38 0.72 5.89 0.52 -1.26 -1.48 118.94 124.88 1thq s TRP 60 Ca -0.09 0.28 -0.06 0.00 0.02 0.00 0.00 56.10 56.26 1thq s TRP 60 Cb -0.01 -2.17 0.15 0.00 -1.15 0.00 0.00 33.47 30.29 1thq s TRP 60 CO 0.03 0.24 0.98 -0.40 0.02 0.00 0.00 176.95 177.83 1thq n ASP 61 N 3.63 0.76 0.00 2.95 3.85 -0.17 -4.91 116.55 122.66 1thq n ASP 61 Ca -0.16 -1.77 0.10 0.00 -0.71 0.00 0.00 54.79 52.25 1thq n ASP 61 Cb 0.52 -0.69 0.55 0.00 -1.35 0.00 0.00 41.12 40.15 1thq n ASP 61 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1thq n GLU 62 N -2.94 0.43 0.00 0.11 0.00 -1.26 -0.88 120.64 116.10 1thq n GLU 62 Ca 0.14 0.06 0.11 0.00 0.00 0.00 0.00 57.16 57.48 1thq n GLU 62 Cb 0.51 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.54 1thq n GLU 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1thq n LYS 63 N -1.18 2.11 -1.08 3.44 5.02 -1.26 -4.93 118.16 120.29 1thq n LYS 63 Ca 0.12 -1.80 -0.03 0.00 -2.02 0.00 0.00 58.31 54.58 1thq n LYS 63 Cb 0.13 -1.44 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 1thq n LYS 63 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1thq n GLY 64 N 1.29 0.59 3.90 0.72 0.00 -0.05 -4.90 105.19 106.73 1thq n GLY 64 Ca 0.13 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1thq n GLY 64 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1thq s ASN 65 N -2.58 6.45 -0.12 1.61 0.01 -1.26 -4.56 114.94 114.48 1thq s ASN 65 Ca 0.00 0.84 -0.13 0.00 -0.71 0.00 0.00 52.86 52.86 1thq s ASN 65 Cb 0.00 -2.20 -0.05 0.00 0.41 0.00 0.00 41.25 39.42 1thq s ASN 65 CO 0.00 -0.29 0.29 0.86 -1.51 0.00 0.00 177.10 176.45 1thq s TRP 66 N -2.23 3.53 -0.05 2.20 -0.00 -0.67 -1.00 118.94 120.71 1thq s TRP 66 Ca 0.46 0.66 0.04 0.00 -0.00 0.00 0.00 56.10 57.26 1thq s TRP 66 Cb -0.10 -2.27 0.00 0.00 -0.00 0.00 0.00 33.47 31.09 1thq s TRP 66 CO 0.32 0.39 -0.16 -1.01 -0.00 0.00 0.00 176.95 176.48 1thq s HIS 67 N -0.05 1.69 0.02 5.86 3.76 -0.55 -1.47 115.29 124.56 1thq s HIS 67 Ca 0.18 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 1thq s HIS 67 Cb -0.14 -1.16 -0.02 0.00 1.11 0.00 0.00 32.58 32.38 1thq s HIS 67 CO 0.06 -0.21 -0.03 0.20 -0.85 0.00 0.00 174.74 173.91 1thq s GLY 68 N 0.20 0.22 -0.10 -2.22 0.00 0.27 -1.59 107.32 104.11 1thq s GLY 68 Ca -0.07 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.16 1thq s GLY 68 CO 0.03 -0.56 -0.18 1.08 0.00 0.00 0.00 173.10 173.47 1thq s LEU 69 N -1.23 1.86 0.10 0.66 1.43 0.16 -0.21 118.68 121.44 1thq s LEU 69 Ca -0.13 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.54 1thq s LEU 69 Cb -0.08 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 1thq s LEU 69 CO -0.01 0.07 -0.07 -0.72 0.23 0.00 0.00 176.35 175.85 1thq s TYR 70 N 0.70 0.92 -0.05 0.29 -0.85 -0.45 -0.19 117.35 117.73 1thq s TYR 70 Ca -0.12 -0.82 -0.00 0.00 -0.52 0.00 0.00 57.07 55.61 1thq s TYR 70 Cb -0.16 -0.52 0.03 0.00 0.38 0.00 0.00 41.96 41.68 1thq s TYR 70 CO 0.03 -0.10 0.00 0.00 -1.52 0.00 0.00 175.55 173.96 1thq s ALA 71 N -3.17 0.47 0.18 9.51 0.00 -0.31 -1.83 121.76 126.60 1thq s ALA 71 Ca 0.09 0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.16 1thq s ALA 71 Cb 0.02 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 1thq s ALA 71 CO -0.03 -0.23 -0.12 -1.64 0.00 0.00 0.00 175.76 173.73 1thq s MET 72 N 1.43 1.20 -0.05 0.00 -1.94 0.31 -1.77 119.30 118.48 1thq s MET 72 Ca -0.04 -1.52 0.03 0.00 -1.71 0.00 0.00 55.69 52.45 1thq s MET 72 Cb -0.13 -0.89 0.01 0.00 2.01 0.00 0.00 34.83 35.83 1thq s MET 72 CO -0.03 0.14 -0.11 0.00 -0.01 0.00 0.00 175.02 175.00 1thq s ALA 73 N -3.12 1.14 0.48 3.03 0.00 0.09 -1.86 121.76 121.52 1thq s ALA 73 Ca 0.20 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.77 1thq s ALA 73 Cb 0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1thq s ALA 73 CO 0.04 0.14 0.07 -0.06 0.00 0.00 0.00 175.76 175.94 1thq s PHE 74 N 0.44 1.77 -0.13 0.00 0.40 -0.34 -2.23 117.98 117.88 1thq s PHE 74 Ca -0.09 -1.16 0.00 0.00 -0.60 0.00 0.00 56.93 55.08 1thq s PHE 74 Cb -0.13 -1.39 -0.01 0.00 0.51 0.00 0.00 43.02 42.00 1thq s PHE 74 CO 0.02 -0.05 -0.14 0.21 0.70 0.00 0.00 175.22 175.96 1thq s LYS 75 N -3.79 3.32 0.40 0.44 2.20 -1.26 -0.80 119.74 120.25 1thq s LYS 75 Ca 0.10 -0.71 -0.05 0.00 -0.36 0.00 0.00 55.97 54.95 1thq s LYS 75 Cb 0.01 -2.60 0.09 0.00 -1.51 0.00 0.00 37.83 33.81 1thq s LYS 75 CO 0.07 0.17 0.55 -0.40 -0.36 0.00 0.00 175.35 175.38 1thq n ASP 76 N 3.64 0.26 0.30 1.43 5.68 0.37 -4.85 116.55 123.38 1thq n ASP 76 Ca -0.18 -1.33 0.19 0.00 -0.50 0.00 0.00 54.79 52.96 1thq n ASP 76 Cb 0.53 -0.40 0.99 0.00 -1.14 0.00 0.00 41.12 41.10 1thq n ASP 76 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1thq h SER 77 N -0.59 0.00 -0.51 -1.12 0.02 -2.01 0.25 113.55 109.60 1thq h SER 77 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1thq h SER 77 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1thq h SER 77 CO 0.15 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.63 1thq n TRP 78 N -3.33 0.67 -2.88 3.45 8.01 -1.26 -4.93 117.44 117.17 1thq n TRP 78 Ca -0.01 -0.33 -0.17 0.00 -1.31 0.00 0.00 57.50 55.67 1thq n TRP 78 Cb 0.21 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 29.54 1thq n TRP 78 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1thq n ASN 79 N 1.32 -5.10 -4.68 -0.99 3.02 0.08 -5.02 115.26 103.88 1thq n ASN 79 Ca 0.20 -0.24 -0.31 0.00 -0.03 0.00 0.00 54.58 54.20 1thq n ASN 79 Cb 0.54 -3.93 -0.08 0.00 -0.61 0.00 0.00 39.78 35.70 1thq n ASN 79 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1thq s LYS 80 N -5.47 2.65 0.10 3.52 -0.14 -1.26 -4.79 119.74 114.35 1thq s LYS 80 Ca 0.25 -0.73 -0.35 0.00 -1.36 0.00 0.00 55.97 53.78 1thq s LYS 80 Cb -0.11 -2.59 -0.15 0.00 -1.68 0.00 0.00 37.83 33.30 1thq s LYS 80 CO 0.31 0.58 1.54 1.87 -0.76 0.00 0.00 175.35 178.89 1thq n TRP 81 N 0.97 2.06 -3.73 3.18 -0.00 -1.26 -0.48 117.44 118.18 1thq n TRP 81 Ca -0.13 0.36 -0.30 0.00 -0.00 0.00 0.00 57.50 57.44 1thq n TRP 81 Cb 0.52 -2.49 -0.15 0.00 -0.00 0.00 0.00 31.31 29.19 1thq n TRP 81 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 1thq s GLU 82 N 1.18 0.78 0.45 5.87 2.12 0.02 -4.52 118.70 124.60 1thq s GLU 82 Ca 0.82 -1.20 -0.15 0.00 0.36 0.00 0.00 54.97 54.80 1thq s GLU 82 Cb -0.77 -2.02 -0.08 0.00 0.26 0.00 0.00 34.13 31.52 1thq s GLU 82 CO 0.43 -1.01 0.89 -1.25 -0.54 0.00 0.00 175.26 173.77 1thq s PRO 83 N 1.44 3.92 -0.04 4.30 0.04 -1.26 -1.20 135.00 142.20 1thq s PRO 83 Ca 0.11 0.78 -0.03 0.00 0.04 0.00 0.00 61.00 61.89 1thq s PRO 83 Cb -0.18 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.12 1thq s PRO 83 CO -0.21 -0.14 0.11 -1.50 0.04 0.00 0.00 177.00 175.30 1thq s ILE 84 N -2.45 -0.00 0.02 0.56 2.07 -0.78 -3.36 121.20 117.26 1thq s ILE 84 Ca 0.56 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.82 1thq s ILE 84 Cb -0.10 -0.16 -0.02 0.00 0.13 0.00 0.00 42.46 42.31 1thq s ILE 84 CO 0.29 0.01 -0.03 0.00 -1.91 0.00 0.00 174.94 173.29 1thq s ALA 85 N 0.15 0.13 0.00 1.50 0.00 -0.27 -0.53 121.76 122.73 1thq s ALA 85 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1thq s ALA 85 Cb -0.02 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1thq s ALA 85 CO -0.00 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.02 1thq n GLY 86 N 1.69 0.50 3.28 0.00 0.00 -0.76 -0.02 105.19 109.88 1thq n GLY 86 Ca -0.23 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1thq n GLY 86 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1thq s TYR 87 N -2.28 2.43 0.12 1.61 5.04 -0.27 -1.34 117.35 122.66 1thq s TYR 87 Ca 0.00 -0.69 0.10 0.00 -2.44 0.00 0.00 57.07 54.04 1thq s TYR 87 Cb 0.00 -1.59 -0.04 0.00 0.35 0.00 0.00 41.96 40.68 1thq s TYR 87 CO 0.00 -0.19 -0.25 0.20 -1.34 0.00 0.00 175.55 173.97 1thq s GLY 88 N -0.22 1.45 -0.06 8.97 0.00 0.70 -1.26 107.32 116.91 1thq s GLY 88 Ca -0.02 -1.38 -0.04 0.00 0.00 0.00 0.00 44.72 43.28 1thq s GLY 88 CO 0.03 -1.36 0.15 0.86 0.00 0.00 0.00 173.10 172.78 1thq s TRP 89 N -1.08 -0.17 -0.07 1.90 -0.00 -0.45 -0.56 118.94 118.51 1thq s TRP 89 Ca 0.11 0.44 -0.00 0.00 -0.00 0.00 0.00 56.10 56.65 1thq s TRP 89 Cb -0.10 0.01 0.02 0.00 -0.00 0.00 0.00 33.47 33.40 1thq s TRP 89 CO 0.05 -0.11 -0.03 -1.21 -0.00 0.00 0.00 176.95 175.65 1thq s GLU 90 N 0.51 0.87 0.09 5.86 2.02 -0.54 -1.31 118.70 126.20 1thq s GLU 90 Ca -0.04 -0.04 -0.31 0.00 0.02 0.00 0.00 54.97 54.60 1thq s GLU 90 Cb -0.05 -1.04 -0.09 0.00 0.10 0.00 0.00 34.13 33.05 1thq s GLU 90 CO -0.02 -0.21 1.81 0.45 0.02 0.00 0.00 175.26 177.31 1thq s SER 91 N 1.51 6.48 -0.02 -0.19 0.15 -0.06 -1.68 113.70 119.89 1thq s SER 91 Ca -0.01 2.66 0.08 0.00 0.70 0.00 0.00 55.95 59.38 1thq s SER 91 Cb -0.13 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.60 1thq s SER 91 CO -0.04 -0.99 -0.25 -0.89 1.20 0.00 0.00 173.24 172.27 1thq s THR 92 N 3.10 2.01 -0.04 6.45 2.01 -1.26 -1.50 115.64 126.41 1thq s THR 92 Ca 0.81 -1.08 0.05 0.00 0.31 0.00 0.00 61.69 61.78 1thq s THR 92 Cb -0.43 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1thq s THR 92 CO 0.36 0.57 -0.21 0.86 -0.69 0.00 0.00 174.62 175.51 1thq s TRP 93 N -0.57 1.98 -0.60 4.92 -0.00 0.61 -4.84 118.94 120.46 1thq s TRP 93 Ca 0.09 -0.52 0.04 0.00 -0.00 0.00 0.00 56.10 55.71 1thq s TRP 93 Cb -0.10 -1.31 0.16 0.00 -0.00 0.00 0.00 33.47 32.23 1thq s TRP 93 CO -0.01 -0.14 0.41 1.03 -0.00 0.00 0.00 176.95 178.24 1thq s ARG 94 N -0.17 1.95 0.00 5.86 0.52 -1.26 -1.23 118.95 124.61 1thq s ARG 94 Ca -0.00 -2.87 0.27 0.00 -0.52 0.00 0.00 55.73 52.61 1thq s ARG 94 Cb -0.11 -2.84 0.92 0.00 0.52 0.00 0.00 34.95 33.43 1thq s ARG 94 CO 0.02 -1.28 1.70 -0.35 0.02 0.00 0.00 175.30 175.41 1thq n PRO 95 N 2.42 0.02 -3.84 3.54 -0.04 -1.26 -4.93 135.00 130.91 1thq n PRO 95 Ca 0.20 -0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 1thq n PRO 95 Cb 0.38 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 1thq n PRO 95 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1thq s LEU 96 N -2.98 3.80 0.38 1.53 1.43 -1.26 -5.01 118.68 116.57 1thq s LEU 96 Ca 0.13 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 1thq s LEU 96 Cb 0.18 -2.42 0.80 0.00 0.03 0.00 0.00 46.19 44.78 1thq s LEU 96 CO 0.60 -0.26 1.98 0.00 0.23 0.00 0.00 176.35 178.90 1thq h ALA 97 N 1.23 1.74 -1.76 4.21 0.00 -1.99 -3.29 119.26 119.40 1thq h ALA 97 Ca -0.47 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 53.83 1thq h ALA 97 Cb 1.25 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 1thq h ALA 97 CO 0.58 0.16 0.66 0.34 0.00 0.00 0.00 179.25 180.99 1thq s ASP 98 N -6.30 6.38 0.21 0.00 -1.08 -1.26 -4.91 116.67 109.70 1thq s ASP 98 Ca -0.09 -0.21 0.18 0.00 -0.52 0.00 0.00 52.55 51.91 1thq s ASP 98 Cb 0.19 -2.46 0.85 0.00 -1.46 0.00 0.00 42.92 40.03 1thq s ASP 98 CO 0.76 -1.27 1.54 -1.84 0.52 0.00 0.00 175.17 174.88 1thq n GLU 99 N 7.67 0.12 0.27 4.34 0.00 -1.24 -2.20 120.64 129.59 1thq n GLU 99 Ca 0.04 0.50 0.13 0.00 0.00 0.00 0.00 57.16 57.82 1thq n GLU 99 Cb 0.48 -1.80 0.76 0.00 0.00 0.00 0.00 31.44 30.88 1thq n GLU 99 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1thq h ASN 100 N 0.00 0.00 -2.99 -1.84 2.35 -1.90 -3.42 115.58 107.78 1thq h ASN 100 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 1thq h ASN 100 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1thq h ASN 100 CO 0.00 0.10 0.76 -0.36 -1.65 0.00 0.00 177.43 176.27 1thq s PHE 101 N -4.31 3.06 -0.00 1.19 0.40 -0.93 -0.58 117.98 116.81 1thq s PHE 101 Ca -0.03 0.95 0.00 0.00 -0.60 0.00 0.00 56.93 57.25 1thq s PHE 101 Cb 0.14 -3.61 0.00 0.00 0.51 0.00 0.00 43.02 40.06 1thq s PHE 101 CO 0.58 -2.17 -0.00 -3.38 0.70 0.00 0.00 175.22 170.95 1thq s HIS 102 N 1.87 0.05 0.09 0.36 -3.43 -0.56 -4.43 115.29 109.24 1thq s HIS 102 Ca 0.63 0.00 0.08 0.00 -0.80 0.00 0.00 55.06 54.97 1thq s HIS 102 Cb -0.32 -0.05 -0.03 0.00 -1.43 0.00 0.00 32.58 30.75 1thq s HIS 102 CO 0.27 -0.01 -0.21 -0.51 -2.00 0.00 0.00 174.74 172.28 1thq s LEU 103 N 0.09 2.26 0.08 5.38 1.02 -0.37 -0.72 118.68 126.42 1thq s LEU 103 Ca -0.01 -0.64 -0.12 0.00 0.02 0.00 0.00 54.13 53.38 1thq s LEU 103 Cb -0.01 -0.93 0.01 0.00 0.02 0.00 0.00 46.19 45.28 1thq s LEU 103 CO -0.00 0.09 0.28 -0.83 0.02 0.00 0.00 176.35 175.91 1thq s GLY 104 N -1.69 -0.07 -0.12 -3.19 0.00 -0.03 -0.28 107.32 101.94 1thq s GLY 104 Ca 0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 44.72 44.47 1thq s GLY 104 CO 0.04 -0.47 0.27 -2.27 0.00 0.00 0.00 173.10 170.67 1thq s LEU 105 N -2.54 0.29 0.00 0.66 0.20 -0.56 -1.53 118.68 115.20 1thq s LEU 105 Ca 0.01 0.59 0.00 0.00 0.69 0.00 0.00 54.13 55.42 1thq s LEU 105 Cb 0.02 0.84 0.00 0.00 -0.43 0.00 0.00 46.19 46.62 1thq s LEU 105 CO -0.08 -0.17 0.00 0.61 -0.29 0.00 0.00 176.35 176.41 1thq n GLY 106 N 4.29 2.59 3.68 7.98 0.00 0.03 -0.88 105.19 122.88 1thq n GLY 106 Ca -0.24 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1thq n GLY 106 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1thq s PHE 107 N 0.83 -0.30 -0.03 1.61 -0.12 -0.42 -1.46 117.98 118.09 1thq s PHE 107 Ca 0.00 -0.03 0.04 0.00 -0.05 0.00 0.00 56.93 56.89 1thq s PHE 107 Cb 0.00 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 43.02 1thq s PHE 107 CO 0.00 -0.99 -0.16 -0.08 -0.05 0.00 0.00 175.22 173.94 1thq s THR 108 N -3.69 1.32 -0.23 -4.49 -1.32 0.96 -1.35 115.64 106.85 1thq s THR 108 Ca 0.08 -0.67 -0.04 0.00 -1.21 0.00 0.00 61.69 59.84 1thq s THR 108 Cb -0.03 -1.13 -0.01 0.00 -1.51 0.00 0.00 72.50 69.82 1thq s THR 108 CO -0.01 0.38 -0.03 0.00 -2.21 0.00 0.00 174.62 172.75 1thq s ALA 109 N -0.07 2.85 0.18 11.08 0.00 -0.39 -1.60 121.76 133.82 1thq s ALA 109 Ca -0.01 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.80 1thq s ALA 109 Cb -0.10 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 1thq s ALA 109 CO 0.01 -0.46 0.19 0.41 0.00 0.00 0.00 175.76 175.92 1thq n GLY 110 N 4.81 3.11 2.96 0.00 0.00 0.39 -1.11 105.19 115.34 1thq n GLY 110 Ca -0.18 -1.68 -0.18 0.00 0.00 0.00 0.00 46.02 43.97 1thq n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1thq s VAL 111 N -2.70 0.58 0.37 1.61 1.01 0.98 -1.19 120.40 121.05 1thq s VAL 111 Ca 0.19 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1thq s VAL 111 Cb 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1thq s VAL 111 CO 0.14 0.19 0.11 0.28 0.00 0.00 0.00 175.10 175.82 1thq s THR 112 N 0.23 0.71 -0.18 3.92 -1.32 -0.07 -1.12 115.64 117.82 1thq s THR 112 Ca -0.03 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.17 1thq s THR 112 Cb -0.07 -2.49 0.09 0.00 -1.51 0.00 0.00 72.50 68.52 1thq s THR 112 CO 0.00 0.00 0.83 0.00 -2.21 0.00 0.00 174.62 173.24 1thq s ALA 113 N -3.31 -1.85 -0.01 11.08 0.00 -1.21 -0.66 121.76 125.79 1thq s ALA 113 Ca 0.29 1.67 0.05 0.00 0.00 0.00 0.00 51.96 53.97 1thq s ALA 113 Cb 0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 1thq s ALA 113 CO 0.15 -0.32 -0.17 1.03 0.00 0.00 0.00 175.76 176.45 1thq s ARG 114 N -0.49 1.39 0.31 0.00 0.52 -1.26 -3.99 118.95 115.43 1thq s ARG 114 Ca -0.03 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.62 1thq s ARG 114 Cb -0.02 -1.34 0.67 0.00 0.52 0.00 0.00 34.95 34.78 1thq s ARG 114 CO 0.03 0.36 1.84 0.22 0.02 0.00 0.00 175.30 177.77 1thq h ASP 115 N 5.75 0.82 0.13 0.23 1.82 -1.94 0.26 116.42 123.48 1thq h ASP 115 Ca -0.36 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.31 1thq h ASP 115 Cb 1.15 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 41.05 1thq h ASP 115 CO 0.48 0.41 -0.09 0.78 -1.61 0.00 0.00 179.24 179.21 1thq h ASN 116 N 0.86 0.00 -0.59 2.28 2.35 -1.97 -2.12 115.58 116.39 1thq h ASN 116 Ca 0.49 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.87 1thq h ASN 116 Cb 0.62 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.76 1thq h ASN 116 CO -0.26 0.09 -0.05 0.79 -1.65 0.00 0.00 177.43 176.36 1thq n TRP 117 N -4.17 1.94 -2.84 1.19 8.01 -0.46 -4.94 117.44 116.15 1thq n TRP 117 Ca -0.03 -2.00 -0.18 0.00 -1.31 0.00 0.00 57.50 53.98 1thq n TRP 117 Cb 0.18 -0.65 0.00 0.00 -2.01 0.00 0.00 31.31 28.83 1thq n TRP 117 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1thq n ASN 118 N -1.00 -4.32 -1.81 -0.99 3.02 -0.80 -2.22 115.26 107.14 1thq n ASN 118 Ca 0.42 -0.09 -0.20 0.00 -0.03 0.00 0.00 54.58 54.68 1thq n ASN 118 Cb 1.00 -3.60 -0.06 0.00 -0.61 0.00 0.00 39.78 36.51 1thq n ASN 118 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1thq n TYR 119 N -3.79 -0.35 -1.73 3.10 4.01 0.79 -4.93 117.16 114.25 1thq n TYR 119 Ca -0.10 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.21 1thq n TYR 119 Cb 0.59 -3.47 -0.02 0.00 -0.31 0.00 0.00 39.34 36.14 1thq n TYR 119 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 1thq n ILE 120 N -2.76 1.20 -1.88 -0.72 0.13 -0.94 -4.63 119.36 109.76 1thq n ILE 120 Ca -0.21 -0.30 -0.42 0.00 -1.10 0.00 0.00 62.75 60.72 1thq n ILE 120 Cb 0.65 -1.81 -0.03 0.00 -0.84 0.00 0.00 39.64 37.62 1thq n ILE 120 CO 0.00 0.00 0.00 -2.84 2.80 0.00 0.00 176.55 176.51 1thq s PRO 121 N -0.79 4.19 -0.04 9.51 0.02 -1.26 -4.37 135.00 142.26 1thq s PRO 121 Ca 0.63 2.41 0.05 0.00 0.02 0.00 0.00 61.00 64.11 1thq s PRO 121 Cb -0.54 -3.31 -0.01 0.00 0.02 0.00 0.00 34.50 30.66 1thq s PRO 121 CO 0.52 -0.68 -0.19 -0.51 -0.33 0.00 0.00 177.00 175.80 1thq s LEU 122 N 1.72 1.98 0.41 -5.54 1.43 0.17 -4.96 118.68 113.89 1thq s LEU 122 Ca 0.73 -0.38 -0.25 0.00 -1.03 0.00 0.00 54.13 53.20 1thq s LEU 122 Cb -0.44 -1.05 -0.08 0.00 0.03 0.00 0.00 46.19 44.65 1thq s LEU 122 CO 0.32 0.20 1.15 -2.16 0.23 0.00 0.00 176.35 176.09 1thq s PRO 123 N -0.16 4.03 -0.01 1.29 0.04 -1.26 -0.89 135.00 138.04 1thq s PRO 123 Ca 0.00 1.79 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1thq s PRO 123 Cb -0.11 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1thq s PRO 123 CO 0.01 -0.32 -0.02 0.08 0.04 0.00 0.00 177.00 176.79 1thq s VAL 124 N -1.46 0.15 -0.08 -0.36 1.01 -0.34 -4.86 120.40 114.46 1thq s VAL 124 Ca 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1thq s VAL 124 Cb -0.29 -0.16 0.03 0.00 0.00 0.00 0.00 36.38 35.96 1thq s VAL 124 CO 0.37 0.06 -0.03 -0.22 0.00 0.00 0.00 175.10 175.28 1thq s LEU 125 N 0.13 0.85 0.04 3.92 1.98 -1.26 -0.47 118.68 123.87 1thq s LEU 125 Ca -0.01 -0.16 0.01 0.00 -2.89 0.00 0.00 54.13 51.08 1thq s LEU 125 Cb -0.03 -0.58 -0.02 0.00 0.66 0.00 0.00 46.19 46.22 1thq s LEU 125 CO -0.00 -0.16 -0.05 -0.76 -1.89 0.00 0.00 176.35 173.49 1thq s LEU 126 N 1.80 2.28 0.61 -0.68 1.43 -0.63 -5.00 118.68 118.48 1thq s LEU 126 Ca 0.04 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.41 1thq s LEU 126 Cb -0.13 -0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.04 1thq s LEU 126 CO -0.06 -0.28 1.04 -2.16 0.23 0.00 0.00 176.35 175.12 1thq s PRO 127 N -1.79 3.34 0.01 1.29 0.04 -1.26 -0.03 135.00 136.60 1thq s PRO 127 Ca -0.10 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.05 1thq s PRO 127 Cb -0.08 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1thq s PRO 127 CO -0.01 -0.78 -0.09 -0.51 0.04 0.00 0.00 177.00 175.64 1thq s LEU 128 N -4.71 2.10 0.01 -3.56 1.43 -0.53 -4.21 118.68 109.21 1thq s LEU 128 Ca 0.61 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 1thq s LEU 128 Cb -0.14 -0.40 -0.00 0.00 0.03 0.00 0.00 46.19 45.67 1thq s LEU 128 CO 0.41 0.02 0.11 0.00 0.23 0.00 0.00 176.35 177.12 1thq s ALA 129 N -0.58 -0.24 0.05 4.21 0.00 -0.77 -0.79 121.76 123.64 1thq s ALA 129 Ca 0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 51.96 51.50 1thq s ALA 129 Cb -0.06 0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.25 1thq s ALA 129 CO 0.00 -0.21 0.52 -1.54 0.00 0.00 0.00 175.76 174.53 1thq s SER 130 N -1.46 -0.44 -0.02 0.00 1.04 -0.58 -0.66 113.70 111.58 1thq s SER 130 Ca -0.14 0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.45 1thq s SER 130 Cb -0.08 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.56 1thq s SER 130 CO 0.01 -0.74 -0.01 -0.69 0.98 0.00 0.00 173.24 172.79 1thq s VAL 131 N -2.54 0.24 0.30 5.02 1.01 -0.40 -0.85 120.40 123.17 1thq s VAL 131 Ca -0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 1thq s VAL 131 Cb -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.10 1thq s VAL 131 CO -0.02 0.13 0.55 -0.83 0.00 0.00 0.00 175.10 174.93 1thq s GLY 132 N 0.68 0.68 -0.20 4.51 0.00 0.11 -0.51 107.32 112.57 1thq s GLY 132 Ca -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1thq s GLY 132 CO -0.01 -0.61 -0.06 -0.47 0.00 0.00 0.00 173.10 171.95 1thq s TYR 133 N -3.50 2.09 0.00 1.90 5.04 -0.04 -1.49 117.35 121.35 1thq s TYR 133 Ca 0.22 -1.45 0.00 0.00 -2.44 0.00 0.00 57.07 53.40 1thq s TYR 133 Cb -0.02 -1.47 0.00 0.00 0.35 0.00 0.00 41.96 40.82 1thq s TYR 133 CO 0.12 -0.71 0.00 0.41 -1.34 0.00 0.00 175.55 174.03 1thq n GLY 134 N 4.76 3.65 0.18 8.97 0.00 0.26 -2.07 105.19 120.94 1thq n GLY 134 Ca -0.12 0.04 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1thq n GLY 134 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1thq n PRO 135 N 14.00 1.23 -4.06 1.61 -0.04 -1.26 -4.74 135.00 141.74 1thq n PRO 135 Ca 0.00 -0.36 -0.33 0.00 -0.04 0.00 0.00 63.50 62.77 1thq n PRO 135 Cb 0.00 -1.21 -0.15 0.00 -0.04 0.00 0.00 33.50 32.10 1thq n PRO 135 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1thq s VAL 136 N -1.90 2.36 -0.02 0.52 1.01 -0.88 -0.70 120.40 120.79 1thq s VAL 136 Ca 0.18 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1thq s VAL 136 Cb 0.09 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1thq s VAL 136 CO 0.14 0.41 -0.06 -0.89 0.00 0.00 0.00 175.10 174.70 1thq s THR 137 N 1.30 0.59 -0.32 3.92 2.01 -0.60 -0.86 115.64 121.68 1thq s THR 137 Ca 0.03 -0.25 -0.16 0.00 0.31 0.00 0.00 61.69 61.62 1thq s THR 137 Cb -0.14 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1thq s THR 137 CO -0.10 0.20 0.41 0.12 -0.69 0.00 0.00 174.62 174.57 1thq s PHE 138 N 0.28 3.22 0.04 4.92 5.36 0.33 -0.37 117.98 131.76 1thq s PHE 138 Ca -0.04 0.21 0.05 0.00 -0.96 0.00 0.00 56.93 56.20 1thq s PHE 138 Cb -0.08 -2.71 -0.02 0.00 -0.34 0.00 0.00 43.02 39.87 1thq s PHE 138 CO 0.00 -0.38 -0.15 -1.14 -1.46 0.00 0.00 175.22 172.09 1thq s GLN 139 N 2.15 0.98 0.23 10.12 0.74 -0.57 -1.27 119.66 132.05 1thq s GLN 139 Ca 0.15 -0.75 -0.13 0.00 0.05 0.00 0.00 55.36 54.68 1thq s GLN 139 Cb -0.16 -1.00 -0.00 0.00 1.10 0.00 0.00 33.01 32.95 1thq s GLN 139 CO 0.11 0.25 0.46 0.00 -0.55 0.00 0.00 175.29 175.57 1thq s MET 140 N -1.07 1.50 0.17 1.67 0.23 0.17 -0.99 119.30 120.97 1thq s MET 140 Ca 0.02 -1.21 -0.01 0.00 -1.03 0.00 0.00 55.69 53.46 1thq s MET 140 Cb -0.08 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.65 1thq s MET 140 CO 0.01 -0.62 0.11 -0.08 -2.03 0.00 0.00 175.02 172.42 1thq s THR 141 N -4.00 0.04 -0.21 3.16 -1.32 -0.39 -1.85 115.64 111.07 1thq s THR 141 Ca 0.21 -1.94 -0.03 0.00 -1.21 0.00 0.00 61.69 58.72 1thq s THR 141 Cb -0.00 -2.31 -0.00 0.00 -1.51 0.00 0.00 72.50 68.67 1thq s THR 141 CO 0.07 -0.18 -0.08 -0.47 -2.21 0.00 0.00 174.62 171.76 1thq s TYR 142 N -4.11 2.92 -0.39 9.09 5.04 -1.26 -1.82 117.35 126.82 1thq s TYR 142 Ca 0.33 -1.13 -0.21 0.00 -2.44 0.00 0.00 57.07 53.62 1thq s TYR 142 Cb 0.07 -2.06 0.01 0.00 0.35 0.00 0.00 41.96 40.33 1thq s TYR 142 CO 0.08 -0.62 0.69 0.42 -1.34 0.00 0.00 175.55 174.78 1thq s ILE 143 N 1.43 4.80 0.74 3.14 -1.09 -0.25 -4.52 121.20 125.45 1thq s ILE 143 Ca 0.05 0.51 -0.13 0.00 -2.23 0.00 0.00 60.65 58.85 1thq s ILE 143 Cb -0.14 -4.17 0.04 0.00 -1.58 0.00 0.00 42.46 36.61 1thq s ILE 143 CO -0.06 -0.47 1.14 -2.16 -1.23 0.00 0.00 174.94 172.16 1thq s PRO 144 N 2.91 2.26 0.00 2.79 0.04 -1.26 0.30 135.00 142.04 1thq s PRO 144 Ca 0.26 1.47 0.05 0.00 0.04 0.00 0.00 61.00 62.82 1thq s PRO 144 Cb -0.14 -1.88 0.26 0.00 0.04 0.00 0.00 34.50 32.79 1thq s PRO 144 CO 0.17 -1.68 0.86 0.41 0.04 0.00 0.00 177.00 176.80 1thq n GLY 145 N -0.31 -0.28 0.27 0.56 0.00 -1.26 -2.22 105.19 101.95 1thq n GLY 145 Ca 0.11 -0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.27 1thq n GLY 145 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1thq h THR 146 N 0.00 0.19 -2.97 2.61 1.35 -1.96 -3.44 112.91 108.69 1thq h THR 146 Ca 0.00 -0.57 -0.61 0.00 -0.55 0.00 0.00 66.41 64.68 1thq h THR 146 Cb 0.02 1.47 -0.05 0.00 -1.73 0.00 0.00 68.15 67.86 1thq h THR 146 CO 0.00 0.06 -0.38 -0.31 -0.25 0.00 0.00 175.52 174.64 1thq s TYR 147 N -3.80 3.55 0.35 4.73 1.51 -0.94 -5.06 117.35 117.68 1thq s TYR 147 Ca -0.00 0.53 -0.28 0.00 -1.01 0.00 0.00 57.07 56.31 1thq s TYR 147 Cb 0.10 -1.97 -0.11 0.00 -0.11 0.00 0.00 41.96 39.87 1thq s TYR 147 CO 0.55 0.57 1.46 -1.71 -1.11 0.00 0.00 175.55 175.31 1thq n ASN 148 N 0.79 3.56 -3.62 2.29 5.15 -1.26 -1.77 115.26 120.40 1thq n ASN 148 Ca -0.08 1.21 -0.27 0.00 -0.60 0.00 0.00 54.58 54.83 1thq n ASN 148 Cb 0.52 -1.58 0.02 0.00 -0.53 0.00 0.00 39.78 38.21 1thq n ASN 148 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1thq n ASN 149 N 0.85 -4.66 0.00 1.20 3.02 -1.26 -4.98 115.26 109.42 1thq n ASN 149 Ca 0.03 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 1thq n ASN 149 Cb 0.38 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.79 1thq n ASN 149 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1thq n GLY 150 N -1.50 2.23 3.76 7.41 0.00 -0.73 -4.73 105.19 111.63 1thq n GLY 150 Ca 0.00 -1.96 -0.27 0.00 0.00 0.00 0.00 46.02 43.80 1thq n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1thq n ASN 151 N 0.00 -4.95 -4.15 1.61 5.15 0.15 -4.72 115.26 108.34 1thq n ASN 151 Ca 0.00 -0.69 -0.16 0.00 -0.60 0.00 0.00 54.58 53.13 1thq n ASN 151 Cb 0.00 -4.39 -0.11 0.00 -0.53 0.00 0.00 39.78 34.75 1thq n ASN 151 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1thq s VAL 152 N -3.34 0.95 0.08 3.44 -7.23 -0.92 -2.89 120.40 110.50 1thq s VAL 152 Ca 0.55 -1.38 -0.16 0.00 -1.81 0.00 0.00 61.98 59.18 1thq s VAL 152 Cb -0.26 -1.09 -0.06 0.00 0.56 0.00 0.00 36.38 35.53 1thq s VAL 152 CO 0.79 -0.37 0.52 -0.31 -0.31 0.00 0.00 175.10 175.42 1thq s TYR 153 N -1.69 3.71 -0.05 2.82 1.51 0.68 -1.09 117.35 123.23 1thq s TYR 153 Ca -0.01 1.11 0.00 0.00 -1.01 0.00 0.00 57.07 57.17 1thq s TYR 153 Cb -0.08 -2.39 0.02 0.00 -0.11 0.00 0.00 41.96 39.41 1thq s TYR 153 CO 0.01 0.54 -0.03 0.12 -1.11 0.00 0.00 175.55 175.09 1thq s PHE 154 N -1.24 0.67 0.09 2.71 5.36 -0.75 -1.61 117.98 123.20 1thq s PHE 154 Ca 0.31 -0.17 0.05 0.00 -0.96 0.00 0.00 56.93 56.17 1thq s PHE 154 Cb -0.17 -0.65 -0.03 0.00 -0.34 0.00 0.00 43.02 41.83 1thq s PHE 154 CO 0.18 -0.21 -0.14 0.00 -1.46 0.00 0.00 175.22 173.59 1thq s ALA 155 N 1.14 1.31 0.06 11.12 0.00 0.13 -1.26 121.76 134.25 1thq s ALA 155 Ca -0.08 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 1thq s ALA 155 Cb -0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1thq s ALA 155 CO -0.01 0.14 0.02 1.67 0.00 0.00 0.00 175.76 177.58 1thq s TRP 156 N -1.66 0.43 0.03 0.00 -2.14 -0.16 -0.49 118.94 114.94 1thq s TRP 156 Ca 0.03 -0.95 -0.16 0.00 2.66 0.00 0.00 56.10 57.67 1thq s TRP 156 Cb -0.08 -0.31 -0.06 0.00 -3.10 0.00 0.00 33.47 29.92 1thq s TRP 156 CO 0.02 -0.42 0.48 -1.64 -2.66 0.00 0.00 176.95 172.73 1thq s MET 157 N -3.90 4.03 -0.16 3.25 -1.94 0.65 -1.51 119.30 119.72 1thq s MET 157 Ca 0.06 0.54 -0.00 0.00 -1.71 0.00 0.00 55.69 54.58 1thq s MET 157 Cb 0.07 -3.22 -0.00 0.00 2.01 0.00 0.00 34.83 33.69 1thq s MET 157 CO -0.10 0.66 -0.14 0.50 -0.01 0.00 0.00 175.02 175.93 1thq s ARG 158 N -1.13 3.24 -0.22 2.03 3.52 0.50 -0.88 118.95 126.01 1thq s ARG 158 Ca 0.26 -0.73 -0.05 0.00 -0.13 0.00 0.00 55.73 55.08 1thq s ARG 158 Cb -0.18 -2.67 -0.02 0.00 -1.56 0.00 0.00 34.95 30.53 1thq s ARG 158 CO 0.16 -0.00 -0.00 -0.06 -0.81 0.00 0.00 175.30 174.58 1thq s PHE 159 N 0.87 3.01 -0.11 5.12 0.40 0.44 -1.56 117.98 126.15 1thq s PHE 159 Ca -0.04 -0.66 -0.12 0.00 -0.60 0.00 0.00 56.93 55.52 1thq s PHE 159 Cb -0.15 -2.13 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 1thq s PHE 159 CO -0.01 -0.40 0.26 -1.14 0.70 0.00 0.00 175.22 174.63 1thq s GLN 160 N 1.36 3.92 0.30 0.44 0.74 0.13 -1.20 119.66 125.34 1thq s GLN 160 Ca 0.04 0.08 0.11 0.00 0.05 0.00 0.00 55.36 55.64 1thq s GLN 160 Cb -0.15 -3.30 -0.06 0.00 1.10 0.00 0.00 33.01 30.61 1thq s GLN 160 CO 0.00 0.52 -0.16 -0.06 -0.55 0.00 0.00 175.29 175.05 1thq s PHE 161 N -0.39 2.34 0.03 1.67 0.40 0.41 -4.84 117.98 117.60 1thq s PHE 161 Ca 0.17 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 1thq s PHE 161 Cb -0.13 -1.14 0.00 0.00 0.51 0.00 0.00 43.02 42.25 1thq s PHE 161 CO 0.06 0.67 0.00 1.28 0.70 0.00 0.00 175.22 177.93 1thq n LEU 162 N -0.69 -1.15 -0.87 -0.37 4.77 -1.26 -3.32 117.00 114.11 1thq n LEU 162 Ca -0.05 0.19 0.12 0.00 -0.03 0.00 0.00 56.01 56.24 1thq n LEU 162 Cb 0.61 0.76 0.18 0.00 -2.33 0.00 0.00 43.42 42.64 1thq n LEU 162 CO 0.40 0.02 0.67 -0.62 -1.33 0.00 0.00 177.39 176.54