#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dyt s PRO 2 N 0.00 4.21 0.58 -0.14 0.02 -1.26 -4.88 135.00 133.54 1dyt s PRO 2 Ca 0.00 2.37 0.39 0.00 0.02 0.00 0.00 61.00 63.78 1dyt s PRO 2 Cb 0.00 -3.14 2.10 0.00 0.02 0.00 0.00 34.50 33.48 1dyt s PRO 2 CO 0.00 -0.60 2.20 -1.00 -0.33 0.00 0.00 177.00 177.27 1dyt h PRO 3 N 6.60 0.00 0.00 5.54 0.13 -2.00 -2.40 132.00 139.86 1dyt h PRO 3 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1dyt h PRO 3 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1dyt h PRO 3 CO 0.90 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.67 1dyt n GLN 4 N -2.89 0.10 -4.48 0.86 10.64 -1.26 -4.77 117.38 115.58 1dyt n GLN 4 Ca -0.02 0.25 -0.32 0.00 -1.83 0.00 0.00 57.00 55.07 1dyt n GLN 4 Cb 0.07 -1.66 -0.11 0.00 -0.86 0.00 0.00 30.24 27.69 1dyt n GLN 4 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1dyt s PHE 5 N -3.11 2.89 0.94 2.61 0.08 -0.91 -5.10 117.98 115.38 1dyt s PHE 5 Ca 0.08 -0.04 -0.14 0.00 0.12 0.00 0.00 56.93 56.95 1dyt s PHE 5 Cb 0.12 -1.62 0.16 0.00 -0.57 0.00 0.00 43.02 41.11 1dyt s PHE 5 CO 0.41 0.36 1.21 0.95 -0.10 0.00 0.00 175.22 178.05 1dyt s THR 6 N -0.97 1.95 0.25 0.64 -4.23 -1.26 -4.79 115.64 107.23 1dyt s THR 6 Ca 0.16 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.61 1dyt s THR 6 Cb -0.11 -2.86 0.25 0.00 1.34 0.00 0.00 72.50 71.12 1dyt s THR 6 CO 0.07 0.00 1.92 0.03 -0.54 0.00 0.00 174.62 176.10 1dyt h ARG 7 N -1.56 1.30 -0.37 3.99 3.08 -1.94 -1.70 114.38 117.18 1dyt h ARG 7 Ca -0.47 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.39 1dyt h ARG 7 Cb 1.29 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1dyt h ARG 7 CO 0.52 0.86 -0.23 0.00 -1.07 0.00 0.00 179.97 180.05 1dyt h ALA 8 N 1.37 0.91 -0.55 0.04 0.00 -1.87 0.71 119.26 119.88 1dyt h ALA 8 Ca 0.37 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1dyt h ALA 8 Cb -0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1dyt h ALA 8 CO -0.08 0.62 -0.05 1.96 0.00 0.00 0.00 179.25 181.69 1dyt h GLN 9 N 0.64 1.00 -0.31 0.00 4.20 -1.79 -1.38 115.11 117.48 1dyt h GLN 9 Ca 0.09 -0.35 -0.15 0.00 0.06 0.00 0.00 58.65 58.31 1dyt h GLN 9 Cb 0.72 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1dyt h GLN 9 CO 0.06 1.03 -0.40 2.35 -0.67 0.00 0.00 178.83 181.19 1dyt h TRP 10 N 0.88 0.88 -0.59 2.96 -0.00 -1.15 -1.74 115.95 117.18 1dyt h TRP 10 Ca 0.15 -0.26 0.03 0.00 -0.00 0.00 0.00 58.89 58.81 1dyt h TRP 10 Cb 0.61 -0.19 -0.04 0.00 -0.00 0.00 0.00 29.16 29.54 1dyt h TRP 10 CO 0.04 1.01 0.35 0.35 -0.00 0.00 0.00 178.44 180.20 1dyt h PHE 11 N 0.60 0.66 -0.73 2.65 3.04 -0.64 -1.40 116.94 121.13 1dyt h PHE 11 Ca 0.05 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.96 1dyt h PHE 11 Cb 0.94 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 39.21 1dyt h PHE 11 CO 0.05 0.37 0.22 0.00 -2.02 0.00 0.00 178.31 176.93 1dyt h ALA 12 N 1.26 1.01 -0.48 2.41 0.00 -0.83 0.28 119.26 122.91 1dyt h ALA 12 Ca 0.24 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1dyt h ALA 12 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1dyt h ALA 12 CO -0.11 0.66 -0.16 0.82 0.00 0.00 0.00 179.25 180.46 1dyt h ILE 13 N 1.09 1.27 -0.10 0.00 2.04 -1.05 -1.90 117.51 118.85 1dyt h ILE 13 Ca 0.23 -1.32 -0.20 0.00 1.00 0.00 0.00 64.86 64.58 1dyt h ILE 13 Cb 0.31 1.11 0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1dyt h ILE 13 CO -0.01 0.45 -0.72 1.56 0.00 0.00 0.00 178.15 179.44 1dyt h GLN 14 N 0.81 0.67 -0.01 2.37 4.20 -1.05 -3.41 115.11 118.70 1dyt h GLN 14 Ca 0.12 -0.58 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1dyt h GLN 14 Cb 0.73 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.65 1dyt h GLN 14 CO 0.06 1.19 -0.03 0.72 -0.67 0.00 0.00 178.83 180.11 1dyt n HIS 15 N -4.04 0.00 -3.98 2.96 8.25 0.96 -4.45 115.22 114.91 1dyt n HIS 15 Ca -0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.08 1dyt n HIS 15 Cb 0.72 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.66 1dyt n HIS 15 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1dyt s ILE 16 N -0.65 1.51 -0.27 1.59 1.01 -0.72 0.14 121.20 123.82 1dyt s ILE 16 Ca 0.07 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 1dyt s ILE 16 Cb 0.05 -1.54 0.14 0.00 0.01 0.00 0.00 42.46 41.12 1dyt s ILE 16 CO 0.10 0.27 0.57 -0.55 0.00 0.00 0.00 174.94 175.33 1dyt s SER 17 N 1.48 -0.91 0.18 3.58 0.15 -0.85 -4.75 113.70 112.58 1dyt s SER 17 Ca 0.01 1.20 -0.06 0.00 0.70 0.00 0.00 55.95 57.80 1dyt s SER 17 Cb -0.15 1.98 0.08 0.00 -1.71 0.00 0.00 66.02 66.23 1dyt s SER 17 CO -0.09 -0.24 1.51 0.25 1.20 0.00 0.00 173.24 175.88 1dyt h LEU 18 N 8.05 0.76 -6.00 3.45 5.85 -1.80 -3.33 115.31 122.29 1dyt h LEU 18 Ca -0.19 -0.37 -0.55 0.00 0.84 0.00 0.00 57.88 57.62 1dyt h LEU 18 Cb 1.12 -0.21 -0.39 0.00 0.37 0.00 0.00 40.66 41.54 1dyt h LEU 18 CO 0.15 1.10 -1.12 0.59 -0.34 0.00 0.00 178.44 178.82 1dyt n ASN 19 N -4.01 0.26 -4.77 1.25 4.13 -1.26 -4.80 115.26 106.05 1dyt n ASN 19 Ca -0.03 -2.73 -0.37 0.00 1.68 0.00 0.00 54.58 53.13 1dyt n ASN 19 Cb 0.56 -0.63 -0.01 0.00 -1.54 0.00 0.00 39.78 38.16 1dyt n ASN 19 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1dyt s PRO 20 N -1.35 3.77 0.43 3.52 0.04 -1.26 -5.04 135.00 135.11 1dyt s PRO 20 Ca 0.36 1.70 -0.07 0.00 0.04 0.00 0.00 61.00 63.03 1dyt s PRO 20 Cb 0.19 -2.37 0.10 0.00 0.04 0.00 0.00 34.50 32.47 1dyt s PRO 20 CO -0.11 -0.53 0.49 -0.35 0.04 0.00 0.00 177.00 176.54 1dyt n PRO 21 N -0.54 -1.10 -1.58 0.56 -0.04 -1.26 -4.94 135.00 126.10 1dyt n PRO 21 Ca 0.08 -0.76 -0.37 0.00 -0.04 0.00 0.00 63.50 62.41 1dyt n PRO 21 Cb 0.49 -0.59 0.07 0.00 -0.04 0.00 0.00 33.50 33.43 1dyt n PRO 21 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1dyt n ARG 22 N -2.42 0.85 -0.26 0.54 1.85 -1.26 -4.40 116.66 111.55 1dyt n ARG 22 Ca 0.06 0.34 0.07 0.00 -1.00 0.00 0.00 57.85 57.32 1dyt n ARG 22 Cb 0.23 -2.34 0.20 0.00 -1.05 0.00 0.00 32.46 29.50 1dyt n ARG 22 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1dyt h THR 24 N 0.22 0.90 0.03 0.00 2.02 -1.89 0.28 112.91 114.47 1dyt h THR 24 Ca 0.44 -0.04 -0.17 0.00 0.77 0.00 0.00 66.41 67.41 1dyt h THR 24 Cb 0.79 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1dyt h THR 24 CO -0.57 0.02 -0.88 0.40 0.37 0.00 0.00 175.52 174.86 1dyt h ILE 25 N 0.13 1.24 -0.96 3.11 2.04 -1.52 -3.37 117.51 118.18 1dyt h ILE 25 Ca 0.16 -2.30 0.05 0.00 1.00 0.00 0.00 64.86 63.76 1dyt h ILE 25 Cb 0.45 2.75 -0.06 0.00 -0.74 0.00 0.00 36.82 39.22 1dyt h ILE 25 CO -0.02 0.52 0.62 0.00 0.00 0.00 0.00 178.15 179.27 1dyt h ALA 26 N -0.21 1.30 0.00 1.87 0.00 -0.16 -1.61 119.26 120.46 1dyt h ALA 26 Ca -0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1dyt h ALA 26 Cb 1.33 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1dyt h ALA 26 CO -0.07 0.47 0.00 0.52 0.00 0.00 0.00 179.25 180.18 1dyt h MET 27 N 1.18 0.00 0.00 0.00 2.86 -0.64 -2.69 114.93 115.64 1dyt h MET 27 Ca 0.40 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.99 1dyt h MET 27 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1dyt h MET 27 CO -0.14 0.00 -0.24 0.00 1.06 0.00 0.00 176.91 177.59 1dyt h ARG 28 N 0.00 0.00 0.00 1.72 3.08 -1.45 -0.81 114.38 116.92 1dyt h ARG 28 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dyt h ARG 28 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1dyt h ARG 28 CO 0.00 0.24 0.00 0.00 -1.07 0.00 0.00 179.97 179.14 1dyt h ALA 29 N 1.76 1.00 0.00 0.04 0.00 -1.64 -1.41 119.26 119.01 1dyt h ALA 29 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1dyt h ALA 29 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1dyt h ALA 29 CO 0.03 0.00 -1.78 -0.89 0.00 0.00 0.00 179.25 176.61 1dyt n ILE 30 N -2.95 1.51 0.28 0.00 5.41 -0.78 -4.55 119.36 118.29 1dyt n ILE 30 Ca -0.00 -0.15 0.16 0.00 1.00 0.00 0.00 62.75 63.76 1dyt n ILE 30 Cb 0.23 -2.05 0.83 0.00 -0.71 0.00 0.00 39.64 37.93 1dyt n ILE 30 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1dyt h ASN 31 N -1.00 0.00 0.25 4.38 2.35 -1.14 -2.45 115.58 117.96 1dyt h ASN 31 Ca -0.43 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.32 1dyt h ASN 31 Cb 1.33 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.70 1dyt h ASN 31 CO -0.26 0.06 -0.03 0.78 -1.65 0.00 0.00 177.43 176.34 1dyt h ASN 32 N 0.00 0.00 -0.15 5.81 2.35 -1.49 -0.19 115.58 121.90 1dyt h ASN 32 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dyt h ASN 32 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1dyt h ASN 32 CO 0.01 0.03 0.00 -1.22 -1.65 0.00 0.00 177.43 174.59 1dyt n TYR 33 N -3.33 0.18 -4.56 1.19 4.01 -0.92 -4.95 117.16 108.79 1dyt n TYR 33 Ca -0.02 -0.09 -0.28 0.00 -0.16 0.00 0.00 57.90 57.35 1dyt n TYR 33 Cb 0.15 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.07 1dyt n TYR 33 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1dyt s ARG 34 N -1.82 2.00 -0.02 -0.72 0.52 -0.09 -4.77 118.95 114.06 1dyt s ARG 34 Ca 0.34 -2.08 0.17 0.00 -0.52 0.00 0.00 55.73 53.64 1dyt s ARG 34 Cb 0.20 -1.68 -0.19 0.00 0.52 0.00 0.00 34.95 33.79 1dyt s ARG 34 CO 0.30 -0.06 0.62 0.91 0.02 0.00 0.00 175.30 177.08 1dyt n TRP 35 N -1.01 0.71 -4.16 -0.53 7.02 -1.26 -4.92 117.44 113.30 1dyt n TRP 35 Ca -0.05 0.24 -0.14 0.00 -1.02 0.00 0.00 57.50 56.53 1dyt n TRP 35 Cb 0.67 -1.04 -0.11 0.00 -2.42 0.00 0.00 31.31 28.41 1dyt n TRP 35 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1dyt s ARG 36 N -2.83 0.80 0.17 -0.99 1.81 -1.26 -4.43 118.95 112.22 1dyt s ARG 36 Ca -0.05 -1.10 -0.32 0.00 -1.72 0.00 0.00 55.73 52.55 1dyt s ARG 36 Cb 0.08 -0.50 -0.11 0.00 -0.45 0.00 0.00 34.95 33.98 1dyt s ARG 36 CO 0.83 0.08 1.68 0.00 -0.68 0.00 0.00 175.30 177.21 1dyt s LYS 38 N 1.54 4.20 0.16 0.00 2.47 -1.26 -4.92 119.74 121.93 1dyt s LYS 38 Ca 0.74 2.41 -0.07 0.00 -1.56 0.00 0.00 55.97 57.49 1dyt s LYS 38 Cb -0.46 -3.12 0.02 0.00 -1.46 0.00 0.00 37.83 32.80 1dyt s LYS 38 CO 0.32 -0.60 1.46 -0.91 0.16 0.00 0.00 175.35 175.79 1dyt h ASN 39 N 6.26 0.80 -5.02 1.43 4.21 -1.95 -3.43 115.58 117.89 1dyt h ASN 39 Ca -0.44 -0.43 -0.14 0.00 1.21 0.00 0.00 56.30 56.50 1dyt h ASN 39 Cb 1.21 -0.23 -0.20 0.00 -1.12 0.00 0.00 38.32 37.98 1dyt h ASN 39 CO 0.88 1.18 -0.54 0.00 -1.29 0.00 0.00 177.43 177.66 1dyt s GLN 40 N -4.08 0.49 -0.28 0.81 1.03 -1.26 -0.40 119.66 115.96 1dyt s GLN 40 Ca -0.09 -0.56 -0.21 0.00 0.04 0.00 0.00 55.36 54.54 1dyt s GLN 40 Cb 0.11 0.19 0.10 0.00 0.03 0.00 0.00 33.01 33.44 1dyt s GLN 40 CO 0.87 -0.11 0.82 1.21 -2.54 0.00 0.00 175.29 175.53 1dyt s ASN 41 N -1.65 -0.70 -0.16 12.60 2.47 -0.32 -4.99 114.94 122.19 1dyt s ASN 41 Ca -0.12 1.25 -0.03 0.00 0.42 0.00 0.00 52.86 54.38 1dyt s ASN 41 Cb -0.06 1.28 -0.02 0.00 -1.45 0.00 0.00 41.25 41.00 1dyt s ASN 41 CO -0.01 -0.21 -0.06 -0.89 -3.72 0.00 0.00 177.10 172.22 1dyt s THR 42 N 0.83 3.66 -0.31 -5.21 2.01 -1.26 0.18 115.64 115.53 1dyt s THR 42 Ca -0.03 -0.44 -0.13 0.00 0.31 0.00 0.00 61.69 61.40 1dyt s THR 42 Cb -0.05 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1dyt s THR 42 CO -0.09 0.49 0.29 -0.36 -0.69 0.00 0.00 174.62 174.26 1dyt s PHE 43 N 0.50 3.22 -0.07 4.92 0.08 -0.02 -4.35 117.98 122.27 1dyt s PHE 43 Ca -0.05 0.08 -0.24 0.00 0.12 0.00 0.00 56.93 56.85 1dyt s PHE 43 Cb -0.15 -2.52 -0.04 0.00 -0.57 0.00 0.00 43.02 39.75 1dyt s PHE 43 CO 0.03 -0.29 0.71 -0.51 -0.10 0.00 0.00 175.22 175.06 1dyt s LEU 44 N 1.89 4.31 -1.12 -0.37 1.43 0.12 -0.86 118.68 124.08 1dyt s LEU 44 Ca 0.10 1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 54.24 1dyt s LEU 44 Cb -0.16 -3.09 0.16 0.00 0.03 0.00 0.00 46.19 43.12 1dyt s LEU 44 CO 0.11 -0.13 1.33 -0.13 0.23 0.00 0.00 176.35 177.76 1dyt s ARG 45 N 0.85 3.94 0.00 1.70 0.52 -0.16 -2.00 118.95 123.80 1dyt s ARG 45 Ca 0.38 -2.35 0.00 0.00 -0.52 0.00 0.00 55.73 53.24 1dyt s ARG 45 Cb -0.18 -5.00 0.00 0.00 0.52 0.00 0.00 34.95 30.29 1dyt s ARG 45 CO 0.18 -1.75 0.00 -2.37 0.02 0.00 0.00 175.30 171.38 1dyt n THR 46 N 4.83 0.00 -4.32 0.02 5.66 -1.26 -4.58 114.28 114.63 1dyt n THR 46 Ca 0.32 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 61.14 1dyt n THR 46 Cb 0.45 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.12 1dyt n THR 46 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dyt s THR 47 N -1.91 1.66 0.19 1.09 -4.23 -1.26 -4.25 115.64 106.91 1dyt s THR 47 Ca 0.00 -2.10 -0.12 0.00 -1.18 0.00 0.00 61.69 58.29 1dyt s THR 47 Cb 0.00 -1.94 0.10 0.00 1.34 0.00 0.00 72.50 72.00 1dyt s THR 47 CO 0.00 -0.55 1.81 0.15 -0.54 0.00 0.00 174.62 175.49 1dyt h PHE 48 N 2.78 0.59 -0.74 3.99 3.57 -1.99 -2.19 116.94 122.95 1dyt h PHE 48 Ca -0.39 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.23 1dyt h PHE 48 Cb 1.21 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.70 1dyt h PHE 48 CO 0.70 0.31 0.39 0.00 -2.23 0.00 0.00 178.31 177.47 1dyt h ALA 49 N 1.28 1.03 -0.84 2.41 0.00 -1.99 0.33 119.26 121.48 1dyt h ALA 49 Ca 0.24 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1dyt h ALA 49 Cb 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1dyt h ALA 49 CO -0.14 -0.00 0.56 -0.91 0.00 0.00 0.00 179.25 178.76 1dyt h ASN 50 N 0.66 0.96 -0.33 0.00 4.21 -1.82 -1.44 115.58 117.81 1dyt h ASN 50 Ca 0.36 -0.02 -0.14 0.00 1.21 0.00 0.00 56.30 57.71 1dyt h ASN 50 Cb 0.36 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1dyt h ASN 50 CO -0.26 0.69 -0.35 0.58 -1.29 0.00 0.00 177.43 176.81 1dyt h VAL 51 N 1.14 1.29 -0.86 2.81 2.07 -0.74 -2.74 116.25 119.22 1dyt h VAL 51 Ca 0.31 -1.52 0.11 0.00 0.82 0.00 0.00 66.70 66.42 1dyt h VAL 51 Cb -0.12 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 1dyt h VAL 51 CO -0.07 0.50 0.49 0.58 0.02 0.00 0.00 177.57 179.09 1dyt h VAL 52 N 0.59 0.88 0.00 2.57 2.07 -0.71 0.45 116.25 122.10 1dyt h VAL 52 Ca 0.05 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1dyt h VAL 52 Cb 0.93 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1dyt h VAL 52 CO 0.09 0.14 -0.12 0.78 0.02 0.00 0.00 177.57 178.48 1dyt h ASN 53 N 0.79 0.00 0.53 0.57 2.35 -1.11 -1.44 115.58 117.27 1dyt h ASN 53 Ca 0.43 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 56.06 1dyt h ASN 53 Cb 0.44 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1dyt h ASN 53 CO -0.27 0.12 -0.53 0.58 -1.65 0.00 0.00 177.43 175.68 1dyt h VAL 54 N 0.00 1.38 0.00 2.81 2.07 -0.62 -0.75 116.25 121.14 1dyt h VAL 54 Ca -0.00 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1dyt h VAL 54 Cb 0.52 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1dyt h VAL 54 CO 0.02 0.52 0.00 0.00 0.02 0.00 0.00 177.57 178.13 1dyt n GLY 56 N -1.14 -1.21 3.68 0.00 0.00 -0.29 -4.90 105.19 101.33 1dyt n GLY 56 Ca -0.03 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1dyt n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dyt s ASN 57 N -2.77 2.73 0.36 1.61 0.01 0.74 -4.94 114.94 112.68 1dyt s ASN 57 Ca 0.20 1.22 -0.28 0.00 -0.71 0.00 0.00 52.86 53.29 1dyt s ASN 57 Cb 0.19 -1.89 -0.11 0.00 0.41 0.00 0.00 41.25 39.85 1dyt s ASN 57 CO 0.54 -3.07 1.48 0.00 -1.51 0.00 0.00 177.10 174.54 1dyt n GLN 58 N -4.14 2.61 -2.10 -0.60 10.64 -1.26 -4.92 117.38 117.62 1dyt n GLN 58 Ca 0.05 0.92 -0.42 0.00 -1.83 0.00 0.00 57.00 55.72 1dyt n GLN 58 Cb 0.57 -2.64 -0.03 0.00 -0.86 0.00 0.00 30.24 27.29 1dyt n GLN 58 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1dyt s SER 59 N -0.07 6.73 0.30 2.61 0.01 -1.26 -4.52 113.70 117.50 1dyt s SER 59 Ca 0.55 2.15 0.04 0.00 1.31 0.00 0.00 55.95 60.00 1dyt s SER 59 Cb -0.49 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.14 1dyt s SER 59 CO 0.62 -0.87 0.03 0.27 0.41 0.00 0.00 173.24 173.70 1dyt s ILE 60 N 3.64 1.18 0.33 1.44 -4.36 -0.23 -4.95 121.20 118.24 1dyt s ILE 60 Ca 0.69 -2.02 -0.28 0.00 -0.26 0.00 0.00 60.65 58.78 1dyt s ILE 60 Cb -0.32 -2.66 -0.10 0.00 1.25 0.00 0.00 42.46 40.64 1dyt s ILE 60 CO 0.27 -0.10 1.17 -0.60 0.24 0.00 0.00 174.94 175.93 1dyt s ARG 61 N -3.87 4.41 -0.21 0.37 3.52 -1.26 -2.07 118.95 119.83 1dyt s ARG 61 Ca 0.34 1.92 -0.29 0.00 -0.13 0.00 0.00 55.73 57.58 1dyt s ARG 61 Cb 0.08 -3.02 -0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1dyt s ARG 61 CO 0.14 -0.04 1.15 0.00 -0.81 0.00 0.00 175.30 175.74 1dyt h PRO 63 N 7.88 0.77 -0.14 0.00 0.11 -1.93 -1.80 132.00 136.89 1dyt h PRO 63 Ca -0.23 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1dyt h PRO 63 Cb 1.08 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1dyt h PRO 63 CO 0.98 0.51 0.00 0.72 -0.21 0.00 0.00 178.00 180.00 1dyt n HIS 64 N -4.55 0.16 -3.16 0.65 8.25 -1.26 -4.50 115.22 110.82 1dyt n HIS 64 Ca 0.16 -0.08 -0.21 0.00 -0.26 0.00 0.00 57.72 57.33 1dyt n HIS 64 Cb 0.38 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 1dyt n HIS 64 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1dyt n ASN 65 N 1.02 -0.78 0.00 0.41 3.02 -0.69 -5.02 115.26 113.22 1dyt n ASN 65 Ca 0.17 -2.69 0.03 0.00 -0.03 0.00 0.00 54.58 52.06 1dyt n ASN 65 Cb 0.52 -0.07 0.19 0.00 -0.61 0.00 0.00 39.78 39.81 1dyt n ASN 65 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1dyt n ARG 66 N 2.04 0.18 0.00 3.52 1.74 -1.13 -0.91 116.66 122.10 1dyt n ARG 66 Ca 0.22 0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.47 1dyt n ARG 66 Cb 0.53 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.57 1dyt n ARG 66 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1dyt n THR 67 N -1.06 0.00 -4.47 0.55 -2.24 -1.26 -4.89 114.28 100.90 1dyt n THR 67 Ca 0.05 -0.48 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 1dyt n THR 67 Cb 0.03 1.46 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 1dyt n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1dyt s LEU 68 N -2.03 3.41 -0.11 3.22 1.43 -0.09 -5.01 118.68 119.49 1dyt s LEU 68 Ca 0.28 0.07 0.17 0.00 -1.03 0.00 0.00 54.13 53.61 1dyt s LEU 68 Cb 0.20 -1.77 0.39 0.00 0.03 0.00 0.00 46.19 45.05 1dyt s LEU 68 CO 0.32 0.36 1.19 0.59 0.23 0.00 0.00 176.35 179.04 1dyt n ASN 69 N 2.22 1.40 -1.94 2.29 3.02 -1.26 -1.13 115.26 119.86 1dyt n ASN 69 Ca -0.18 -3.04 -0.23 0.00 -0.03 0.00 0.00 54.58 51.10 1dyt n ASN 69 Cb 0.53 -0.42 0.11 0.00 -0.61 0.00 0.00 39.78 39.39 1dyt n ASN 69 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1dyt n ASN 70 N -0.47 5.07 -4.98 6.41 6.94 -1.24 -3.97 115.26 123.01 1dyt n ASN 70 Ca 0.13 -3.76 -0.20 0.00 -0.02 0.00 0.00 54.58 50.73 1dyt n ASN 70 Cb 0.86 -0.71 -0.01 0.00 -2.36 0.00 0.00 39.78 37.56 1dyt n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1dyt s HIS 72 N -2.10 -0.38 -0.07 0.00 3.76 0.05 -1.07 115.29 115.48 1dyt s HIS 72 Ca 0.40 0.87 -0.03 0.00 -0.15 0.00 0.00 55.06 56.16 1dyt s HIS 72 Cb -0.09 0.10 -0.04 0.00 1.11 0.00 0.00 32.58 33.66 1dyt s HIS 72 CO 0.31 -0.24 0.06 0.50 -0.85 0.00 0.00 174.74 174.51 1dyt s ARG 73 N 1.15 3.13 0.47 1.40 3.52 -1.26 -1.71 118.95 125.64 1dyt s ARG 73 Ca -0.08 -0.36 -0.23 0.00 -0.13 0.00 0.00 55.73 54.93 1dyt s ARG 73 Cb -0.09 -2.92 -0.07 0.00 -1.56 0.00 0.00 34.95 30.31 1dyt s ARG 73 CO -0.08 0.71 1.21 -1.54 -0.81 0.00 0.00 175.30 174.78 1dyt s SER 74 N -1.18 6.02 0.31 -2.12 1.04 0.07 -4.91 113.70 112.92 1dyt s SER 74 Ca 0.17 2.40 0.16 0.00 0.48 0.00 0.00 55.95 59.16 1dyt s SER 74 Cb -0.12 -2.61 0.21 0.00 0.10 0.00 0.00 66.02 63.60 1dyt s SER 74 CO 0.06 -1.03 1.51 0.03 0.98 0.00 0.00 173.24 174.79 1dyt h ARG 75 N 1.97 0.00 -5.95 4.02 2.47 -1.98 -3.44 114.38 111.48 1dyt h ARG 75 Ca -0.50 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 57.68 1dyt h ARG 75 Cb 1.26 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.43 1dyt h ARG 75 CO 0.60 0.46 -0.75 -0.06 0.56 0.00 0.00 179.97 180.78 1dyt s PHE 76 N -3.09 2.05 0.25 3.04 0.08 -1.26 -5.11 117.98 113.94 1dyt s PHE 76 Ca 0.03 -0.43 -0.30 0.00 0.12 0.00 0.00 56.93 56.36 1dyt s PHE 76 Cb 0.08 -0.91 -0.09 0.00 -0.57 0.00 0.00 43.02 41.53 1dyt s PHE 76 CO 0.73 0.57 0.96 1.03 -0.10 0.00 0.00 175.22 178.40 1dyt s ARG 77 N -3.55 4.80 0.09 0.44 0.52 -1.26 -4.48 118.95 115.51 1dyt s ARG 77 Ca 0.27 1.51 0.08 0.00 -0.52 0.00 0.00 55.73 57.07 1dyt s ARG 77 Cb -0.03 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 1dyt s ARG 77 CO 0.11 0.46 -0.21 0.14 0.02 0.00 0.00 175.30 175.82 1dyt s VAL 78 N -1.22 1.75 0.53 3.52 -7.23 0.38 -4.78 120.40 113.36 1dyt s VAL 78 Ca 0.42 -1.48 -0.22 0.00 -1.81 0.00 0.00 61.98 58.89 1dyt s VAL 78 Cb -0.26 -1.57 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 1dyt s VAL 78 CO 0.32 0.01 1.31 -2.84 -0.31 0.00 0.00 175.10 173.59 1dyt s PRO 79 N -1.75 3.25 0.22 4.82 0.02 -1.26 -2.06 135.00 138.23 1dyt s PRO 79 Ca 0.07 2.11 -0.17 0.00 0.02 0.00 0.00 61.00 63.03 1dyt s PRO 79 Cb -0.10 -2.26 0.02 0.00 0.02 0.00 0.00 34.50 32.18 1dyt s PRO 79 CO 0.04 -1.07 0.55 -0.48 -0.33 0.00 0.00 177.00 175.71 1dyt s LEU 80 N -3.47 0.07 -0.09 -5.54 0.05 -0.52 -0.99 118.68 108.18 1dyt s LEU 80 Ca 0.70 -0.59 -0.01 0.00 0.05 0.00 0.00 54.13 54.28 1dyt s LEU 80 Cb -0.37 2.17 0.03 0.00 -2.05 0.00 0.00 46.19 45.96 1dyt s LEU 80 CO 0.44 -1.12 -0.03 -0.22 -0.55 0.00 0.00 176.35 174.86 1dyt s LEU 81 N -2.91 0.88 -0.08 1.48 2.96 -0.04 -2.02 118.68 118.96 1dyt s LEU 81 Ca 0.12 -0.20 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1dyt s LEU 81 Cb -0.02 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 1dyt s LEU 81 CO 0.01 -0.16 0.15 -2.28 -1.32 0.00 0.00 176.35 172.75 1dyt s HIS 82 N 1.84 3.55 -0.08 5.38 5.65 0.22 -0.84 115.29 131.01 1dyt s HIS 82 Ca 0.05 0.44 0.03 0.00 0.25 0.00 0.00 55.06 55.83 1dyt s HIS 82 Cb -0.12 -1.89 0.01 0.00 -1.18 0.00 0.00 32.58 29.39 1dyt s HIS 82 CO -0.07 0.69 -0.18 0.00 -0.65 0.00 0.00 174.74 174.53 1dyt s ASP 84 N 0.52 3.19 0.04 0.00 1.01 -0.73 -1.17 116.67 119.53 1dyt s ASP 84 Ca -0.16 -0.55 -0.30 0.00 0.71 0.00 0.00 52.55 52.24 1dyt s ASP 84 Cb -0.17 -1.44 -0.07 0.00 1.01 0.00 0.00 42.92 42.25 1dyt s ASP 84 CO 0.06 0.14 1.63 -0.22 0.21 0.00 0.00 175.17 176.99 1dyt s LEU 85 N 0.48 4.35 0.08 1.23 2.96 0.46 -0.26 118.68 127.98 1dyt s LEU 85 Ca -0.15 2.39 0.14 0.00 -0.22 0.00 0.00 54.13 56.30 1dyt s LEU 85 Cb -0.17 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 42.83 1dyt s LEU 85 CO 0.06 -0.88 0.95 0.40 -1.32 0.00 0.00 176.35 175.56 1dyt h ILE 86 N 4.99 0.78 -2.25 6.68 2.04 -0.81 -3.40 117.51 125.54 1dyt h ILE 86 Ca -0.42 -2.36 -0.60 0.00 1.00 0.00 0.00 64.86 62.49 1dyt h ILE 86 Cb 1.19 2.28 -0.42 0.00 -0.74 0.00 0.00 36.82 39.14 1dyt h ILE 86 CO 0.93 0.44 -0.65 -0.46 0.00 0.00 0.00 178.15 178.41 1dyt n ASN 87 N -3.04 3.24 0.28 1.72 6.94 -1.25 -4.93 115.26 118.23 1dyt n ASN 87 Ca -0.08 -3.33 0.16 0.00 -0.02 0.00 0.00 54.58 51.31 1dyt n ASN 87 Cb 0.88 -0.67 0.85 0.00 -2.36 0.00 0.00 39.78 38.48 1dyt n ASN 87 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1dyt h PRO 88 N 4.27 0.00 -0.00 -0.53 0.13 -1.93 -0.30 132.00 133.64 1dyt h PRO 88 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1dyt h PRO 88 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1dyt h PRO 88 CO 0.78 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.96 1dyt n GLY 89 N -1.19 -0.95 3.71 1.56 0.00 -1.26 -4.89 105.19 102.16 1dyt n GLY 89 Ca -0.02 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1dyt n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dyt n ALA 90 N -0.85 1.59 -0.05 4.61 0.00 -0.12 -4.91 120.51 120.77 1dyt n ALA 90 Ca 0.19 0.38 -0.00 0.00 0.00 0.00 0.00 53.44 54.01 1dyt n ALA 90 Cb 0.10 -2.32 -0.16 0.00 0.00 0.00 0.00 19.45 17.07 1dyt n ALA 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1dyt n GLN 91 N 1.36 0.67 -4.41 0.00 6.02 -1.26 -4.78 117.38 114.98 1dyt n GLN 91 Ca 0.07 -0.08 -0.25 0.00 -0.01 0.00 0.00 57.00 56.73 1dyt n GLN 91 Cb 0.35 -1.54 -0.09 0.00 1.02 0.00 0.00 30.24 29.98 1dyt n GLN 91 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1dyt s ASN 92 N -5.09 4.04 0.00 1.08 4.22 -1.26 -4.82 114.94 113.11 1dyt s ASN 92 Ca -0.09 -1.12 0.26 0.00 -2.14 0.00 0.00 52.86 49.78 1dyt s ASN 92 Cb 0.10 -0.46 0.78 0.00 1.28 0.00 0.00 41.25 42.95 1dyt s ASN 92 CO 0.86 -0.29 1.60 2.30 -2.04 0.00 0.00 177.10 179.53 1dyt n ILE 93 N -0.94 0.00 0.63 0.54 -6.64 -1.26 -3.57 119.36 108.12 1dyt n ILE 93 Ca -0.04 -0.01 0.13 0.00 -1.77 0.00 0.00 62.75 61.06 1dyt n ILE 93 Cb 0.64 0.02 0.43 0.00 -1.44 0.00 0.00 39.64 39.29 1dyt n ILE 93 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 1dyt n SER 94 N -1.42 0.72 -0.45 7.28 3.41 -1.26 -3.11 113.62 118.80 1dyt n SER 94 Ca 0.07 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 1dyt n SER 94 Cb 0.33 -0.77 0.27 0.00 -0.26 0.00 0.00 64.21 63.78 1dyt n SER 94 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1dyt n ASN 95 N -2.19 1.64 -4.68 4.04 5.03 -1.23 -4.96 115.26 112.91 1dyt n ASN 95 Ca 0.05 -1.32 -0.42 0.00 0.87 0.00 0.00 54.58 53.76 1dyt n ASN 95 Cb 0.40 0.18 -0.03 0.00 -1.02 0.00 0.00 39.78 39.31 1dyt n ASN 95 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1dyt s ARG 97 N 3.28 2.95 0.09 0.00 1.81 -1.26 -4.92 118.95 120.89 1dyt s ARG 97 Ca 0.82 -0.88 0.09 0.00 -1.72 0.00 0.00 55.73 54.04 1dyt s ARG 97 Cb -0.43 -2.29 -0.03 0.00 -0.45 0.00 0.00 34.95 31.75 1dyt s ARG 97 CO 0.37 0.23 -0.24 0.71 -0.68 0.00 0.00 175.30 175.69 1dyt s TYR 98 N 0.22 2.06 0.03 -0.53 1.51 -1.26 -0.06 117.35 119.31 1dyt s TYR 98 Ca -0.15 -0.40 -0.14 0.00 -1.01 0.00 0.00 57.07 55.38 1dyt s TYR 98 Cb -0.17 -1.17 -0.06 0.00 -0.11 0.00 0.00 41.96 40.46 1dyt s TYR 98 CO 0.08 0.21 0.41 0.00 -1.11 0.00 0.00 175.55 175.14 1dyt s ALA 99 N -0.98 3.70 -0.11 3.71 0.00 0.64 -4.41 121.76 124.31 1dyt s ALA 99 Ca 0.10 -0.25 -0.13 0.00 0.00 0.00 0.00 51.96 51.68 1dyt s ALA 99 Cb -0.10 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 1dyt s ALA 99 CO 0.04 0.50 0.30 -0.51 0.00 0.00 0.00 175.76 176.09 1dyt s ASP 100 N -1.27 6.53 -0.34 0.00 1.11 -1.26 -1.77 116.67 119.66 1dyt s ASP 100 Ca 0.27 0.62 -0.01 0.00 0.18 0.00 0.00 52.55 53.61 1dyt s ASP 100 Cb -0.16 -2.18 0.13 0.00 1.07 0.00 0.00 42.92 41.78 1dyt s ASP 100 CO 0.15 0.22 0.19 -0.13 1.18 0.00 0.00 175.17 176.78 1dyt s ARG 101 N -0.23 0.51 0.65 8.23 0.52 -0.16 -4.99 118.95 123.49 1dyt s ARG 101 Ca 0.18 -1.20 -0.14 0.00 -0.52 0.00 0.00 55.73 54.05 1dyt s ARG 101 Cb -0.14 -1.33 -0.01 0.00 0.52 0.00 0.00 34.95 34.00 1dyt s ARG 101 CO 0.06 -1.17 1.07 -1.25 0.02 0.00 0.00 175.30 174.04 1dyt s PRO 102 N 1.24 2.98 0.07 3.54 0.04 -1.26 -0.61 135.00 141.00 1dyt s PRO 102 Ca 0.16 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 1dyt s PRO 102 Cb -0.22 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1dyt s PRO 102 CO -0.06 -1.08 0.54 0.41 0.04 0.00 0.00 177.00 176.84 1dyt n GLY 103 N -1.13 0.85 2.81 0.56 0.00 -0.85 -4.89 105.19 102.54 1dyt n GLY 103 Ca 0.09 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 1dyt n GLY 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dyt s ARG 104 N -2.02 0.19 0.18 1.61 0.52 -1.26 -1.43 118.95 116.73 1dyt s ARG 104 Ca 0.12 0.34 -0.08 0.00 -0.52 0.00 0.00 55.73 55.60 1dyt s ARG 104 Cb -0.01 -0.90 -0.02 0.00 0.52 0.00 0.00 34.95 34.54 1dyt s ARG 104 CO 0.02 -0.58 0.27 1.03 0.02 0.00 0.00 175.30 176.06 1dyt s ARG 105 N 2.36 1.20 0.51 3.54 0.52 -0.88 -4.76 118.95 121.44 1dyt s ARG 105 Ca 0.06 -1.28 -0.18 0.00 -0.52 0.00 0.00 55.73 53.82 1dyt s ARG 105 Cb -0.15 0.36 -0.08 0.00 0.52 0.00 0.00 34.95 35.61 1dyt s ARG 105 CO -0.12 -0.43 1.00 -0.06 0.02 0.00 0.00 175.30 175.71 1dyt s PHE 106 N -4.01 3.30 0.16 -0.53 0.08 -1.26 -0.47 117.98 115.25 1dyt s PHE 106 Ca 0.22 1.51 0.09 0.00 0.12 0.00 0.00 56.93 58.87 1dyt s PHE 106 Cb 0.04 -2.87 -0.04 0.00 -0.57 0.00 0.00 43.02 39.58 1dyt s PHE 106 CO 0.03 -0.50 -0.19 1.52 -0.10 0.00 0.00 175.22 175.98 1dyt s TYR 107 N -2.45 1.87 -0.12 0.36 -0.85 -1.26 -0.31 117.35 114.59 1dyt s TYR 107 Ca 0.61 -0.45 0.01 0.00 -0.52 0.00 0.00 57.07 56.72 1dyt s TYR 107 Cb -0.11 -0.95 0.02 0.00 0.38 0.00 0.00 41.96 41.30 1dyt s TYR 107 CO 0.28 0.33 -0.12 0.08 -1.52 0.00 0.00 175.55 174.59 1dyt s VAL 108 N -1.83 1.30 0.14 -3.49 1.01 -0.22 -0.75 120.40 116.56 1dyt s VAL 108 Ca 0.14 -0.49 0.11 0.00 0.00 0.00 0.00 61.98 61.74 1dyt s VAL 108 Cb -0.07 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1dyt s VAL 108 CO 0.06 0.41 -0.26 0.68 0.00 0.00 0.00 175.10 175.99 1dyt s VAL 109 N 1.34 2.28 -0.06 2.92 -7.23 -0.70 -0.21 120.40 118.75 1dyt s VAL 109 Ca -0.00 -1.82 -0.06 0.00 -1.81 0.00 0.00 61.98 58.29 1dyt s VAL 109 Cb -0.14 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1dyt s VAL 109 CO -0.06 0.05 0.19 0.00 -0.31 0.00 0.00 175.10 174.97 1dyt s ALA 110 N -1.19 3.89 0.12 1.32 0.00 -0.10 -0.77 121.76 125.02 1dyt s ALA 110 Ca 0.15 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.52 1dyt s ALA 110 Cb -0.10 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1dyt s ALA 110 CO 0.07 0.66 -0.13 0.00 0.00 0.00 0.00 175.76 176.35 1dyt s ASP 112 N -2.44 0.16 0.61 0.00 2.15 -0.58 -4.88 116.67 111.70 1dyt s ASP 112 Ca 0.08 -1.08 -0.19 0.00 0.43 0.00 0.00 52.55 51.79 1dyt s ASP 112 Cb -0.05 0.69 -0.03 0.00 -0.30 0.00 0.00 42.92 43.24 1dyt s ASP 112 CO 0.03 -1.35 1.27 0.20 -0.17 0.00 0.00 175.17 175.14 1dyt s ASN 113 N -3.07 4.95 0.72 -0.34 0.01 -1.26 -1.39 114.94 114.55 1dyt s ASN 113 Ca 0.21 2.55 -0.13 0.00 -0.71 0.00 0.00 52.86 54.78 1dyt s ASN 113 Cb -0.03 -2.61 0.03 0.00 0.41 0.00 0.00 41.25 39.05 1dyt s ASN 113 CO 0.12 -1.76 1.10 0.00 -1.51 0.00 0.00 177.10 175.05 1dyt s ARG 114 N -3.27 2.50 0.41 -0.60 1.70 -0.09 -4.78 118.95 114.81 1dyt s ARG 114 Ca 0.79 1.30 -0.22 0.00 -0.47 0.00 0.00 55.73 57.13 1dyt s ARG 114 Cb -0.35 -1.92 -0.11 0.00 -0.57 0.00 0.00 34.95 32.00 1dyt s ARG 114 CO 0.38 -1.47 0.94 0.34 -1.08 0.00 0.00 175.30 174.41 1dyt s ASP 115 N -2.95 7.01 0.58 -2.89 -1.08 -1.26 -4.94 116.67 111.13 1dyt s ASP 115 Ca 0.64 1.70 0.28 0.00 -0.52 0.00 0.00 52.55 54.66 1dyt s ASP 115 Cb -0.19 -2.54 1.54 0.00 -1.46 0.00 0.00 42.92 40.26 1dyt s ASP 115 CO 0.49 -0.30 2.01 1.55 0.52 0.00 0.00 175.17 179.43 1dyt h PRO 116 N 2.15 0.00 0.00 4.34 0.13 -2.00 0.84 132.00 137.46 1dyt h PRO 116 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1dyt h PRO 116 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1dyt h PRO 116 CO 0.62 0.00 -0.07 0.54 -0.23 0.00 0.00 178.00 178.86 1dyt n ARG 117 N -3.88 0.23 -1.70 0.86 1.74 -1.26 -4.85 116.66 107.79 1dyt n ARG 117 Ca 0.06 0.17 -0.32 0.00 -0.77 0.00 0.00 57.85 56.99 1dyt n ARG 117 Cb 0.50 -1.75 0.04 0.00 -1.02 0.00 0.00 32.46 30.23 1dyt n ARG 117 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1dyt s ASP 118 N -4.29 5.41 0.54 0.55 1.01 0.29 -4.99 116.67 115.18 1dyt s ASP 118 Ca 0.11 1.72 -0.22 0.00 0.71 0.00 0.00 52.55 54.87 1dyt s ASP 118 Cb 0.13 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 1dyt s ASP 118 CO 0.60 -1.42 1.34 -0.55 0.21 0.00 0.00 175.17 175.35 1dyt s SER 119 N -3.38 5.35 0.00 0.27 0.15 -1.26 -4.89 113.70 109.94 1dyt s SER 119 Ca 0.60 2.73 0.29 0.00 0.70 0.00 0.00 55.95 60.27 1dyt s SER 119 Cb -0.15 -2.63 1.54 0.00 -1.71 0.00 0.00 66.02 63.07 1dyt s SER 119 CO 0.49 -1.51 2.03 -2.65 1.20 0.00 0.00 173.24 172.79 1dyt n PRO 120 N -0.98 0.55 0.15 5.44 -0.02 -1.26 -3.18 135.00 135.71 1dyt n PRO 120 Ca 0.10 0.01 0.03 0.00 -2.02 0.00 0.00 63.50 61.62 1dyt n PRO 120 Cb 0.45 -1.50 0.42 0.00 -0.02 0.00 0.00 33.50 32.85 1dyt n PRO 120 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1dyt h ARG 121 N 0.00 0.16 -3.41 -0.52 9.65 -2.02 -3.36 114.38 114.87 1dyt h ARG 121 Ca 0.00 -0.04 -0.63 0.00 -1.10 0.00 0.00 59.98 58.22 1dyt h ARG 121 Cb 0.20 -0.02 -0.40 0.00 -1.39 0.00 0.00 29.97 28.35 1dyt h ARG 121 CO 0.00 0.32 -0.70 0.71 2.80 0.00 0.00 179.97 183.10 1dyt s TYR 122 N -4.68 2.64 0.47 2.20 2.02 -1.19 -4.96 117.35 113.85 1dyt s TYR 122 Ca -0.05 -2.72 0.21 0.00 -0.37 0.00 0.00 57.07 54.14 1dyt s TYR 122 Cb 0.15 -2.36 1.31 0.00 -0.40 0.00 0.00 41.96 40.66 1dyt s TYR 122 CO 0.72 -0.80 2.08 -1.35 -1.57 0.00 0.00 175.55 174.63 1dyt h PRO 123 N 6.89 0.00 -5.56 -1.71 0.11 -1.81 -3.41 132.00 126.51 1dyt h PRO 123 Ca -0.05 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.41 1dyt h PRO 123 Cb 0.93 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.72 1dyt h PRO 123 CO 0.56 0.12 -0.87 0.08 -0.21 0.00 0.00 178.00 177.68 1dyt s VAL 124 N -4.53 1.85 0.05 3.15 1.01 -1.26 -0.91 120.40 119.76 1dyt s VAL 124 Ca -0.04 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 1dyt s VAL 124 Cb 0.15 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1dyt s VAL 124 CO 0.63 0.52 0.03 0.68 0.00 0.00 0.00 175.10 176.96 1dyt s VAL 125 N 0.09 0.18 0.20 2.92 -7.23 -0.49 -4.91 120.40 111.16 1dyt s VAL 125 Ca -0.09 -1.50 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 1dyt s VAL 125 Cb -0.15 -1.27 -0.08 0.00 0.56 0.00 0.00 36.38 35.44 1dyt s VAL 125 CO 0.05 -0.83 1.15 -2.16 -0.31 0.00 0.00 175.10 173.01 1dyt s PRO 126 N -3.47 4.54 -0.00 4.82 0.04 -1.26 -1.52 135.00 138.15 1dyt s PRO 126 Ca 0.03 1.82 0.03 0.00 0.04 0.00 0.00 61.00 62.92 1dyt s PRO 126 Cb 0.04 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1dyt s PRO 126 CO -0.08 0.00 0.10 1.33 0.04 0.00 0.00 177.00 178.39 1dyt n VAL 127 N 2.24 0.00 -3.58 -0.36 0.24 0.02 -4.06 118.33 112.83 1dyt n VAL 127 Ca 0.03 -0.26 -0.14 0.00 -2.04 0.00 0.00 64.34 61.93 1dyt n VAL 127 Cb 0.45 0.73 -0.06 0.00 -1.47 0.00 0.00 33.84 33.49 1dyt n VAL 127 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1dyt s HIS 128 N -1.71 -0.57 -0.32 6.34 -3.43 -1.20 -4.78 115.29 109.61 1dyt s HIS 128 Ca 0.00 1.14 -0.19 0.00 -0.80 0.00 0.00 55.06 55.21 1dyt s HIS 128 Cb 0.02 0.39 -0.01 0.00 -1.43 0.00 0.00 32.58 31.55 1dyt s HIS 128 CO 0.12 -0.43 0.59 -1.17 -2.00 0.00 0.00 174.74 171.85 1dyt s LEU 129 N -0.65 4.20 -0.14 5.38 2.96 -1.26 -0.93 118.68 128.24 1dyt s LEU 129 Ca -0.04 0.28 -0.26 0.00 -0.22 0.00 0.00 54.13 53.88 1dyt s LEU 129 Cb -0.02 -2.73 -0.24 0.00 0.50 0.00 0.00 46.19 43.70 1dyt s LEU 129 CO 0.03 -0.48 0.67 -0.78 -1.32 0.00 0.00 176.35 174.48 1dyt h ASP 130 N 8.29 0.00 -5.38 3.68 3.58 -0.92 -3.48 116.42 122.18 1dyt h ASP 130 Ca -0.27 -0.89 0.17 0.00 0.42 0.00 0.00 57.03 56.46 1dyt h ASP 130 Cb 1.12 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.12 1dyt h ASP 130 CO 0.79 1.00 0.55 0.28 -2.88 0.00 0.00 179.24 178.98 1dyt s THR 131 N -2.18 0.00 0.05 2.25 -1.32 -1.10 -4.65 115.64 108.70 1dyt s THR 131 Ca -0.18 -0.62 0.05 0.00 -1.21 0.00 0.00 61.69 59.73 1dyt s THR 131 Cb -0.02 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.44 1dyt s THR 131 CO 0.63 0.00 -0.14 0.42 -2.21 0.00 0.00 174.62 173.32 1dyt s THR 132 N -2.62 1.13 0.00 5.08 -4.23 -1.26 -1.06 115.64 112.68 1dyt s THR 132 Ca 0.18 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1dyt s THR 132 Cb -0.02 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1dyt s THR 132 CO 0.04 -0.09 0.44 -0.38 -0.54 0.00 0.00 174.62 174.09