#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tid n GLU 4 N 0.00 0.57 -3.65 1.20 0.28 -1.26 -0.90 120.64 116.88 1tid n GLU 4 Ca 0.00 -2.05 -0.04 0.00 -0.16 0.00 0.00 57.16 54.91 1tid n GLU 4 Cb 0.00 1.29 -0.07 0.00 1.43 0.00 0.00 31.44 34.09 1tid n GLU 4 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1tid s HIS 6 N -2.58 -0.16 -0.08 -1.84 3.76 -1.26 -5.01 115.29 108.12 1tid s HIS 6 Ca 0.16 0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 55.41 1tid s HIS 6 Cb 0.01 0.41 0.04 0.00 1.11 0.00 0.00 32.58 34.16 1tid s HIS 6 CO 0.11 -0.08 0.16 -1.17 -0.85 0.00 0.00 174.74 172.92 1tid s LEU 7 N 0.20 0.38 0.28 0.89 2.96 0.53 -4.99 118.68 118.93 1tid s LEU 7 Ca 0.05 0.34 0.12 0.00 -0.22 0.00 0.00 54.13 54.41 1tid s LEU 7 Cb -0.05 0.37 -0.05 0.00 0.50 0.00 0.00 46.19 46.96 1tid s LEU 7 CO -0.13 -0.19 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.42 1tid s GLN 8 N 1.62 1.68 -0.25 1.98 1.11 -1.26 0.16 119.66 124.70 1tid s GLN 8 Ca -0.04 -1.78 -0.29 0.00 0.01 0.00 0.00 55.36 53.26 1tid s GLN 8 Cb -0.12 -1.74 0.17 0.00 -1.01 0.00 0.00 33.01 30.32 1tid s GLN 8 CO -0.06 0.30 1.25 -0.59 0.01 0.00 0.00 175.29 176.21 1tid s PHE 9 N -2.54 -0.16 0.37 0.91 -0.12 -0.86 -4.96 117.98 110.63 1tid s PHE 9 Ca 0.30 0.29 -0.27 0.00 -0.05 0.00 0.00 56.93 57.20 1tid s PHE 9 Cb -0.04 0.47 -0.11 0.00 -0.63 0.00 0.00 43.02 42.71 1tid s PHE 9 CO 0.15 -0.13 1.34 -1.13 -0.05 0.00 0.00 175.22 175.40 1tid n SER 10 N 0.83 2.99 -3.17 1.98 3.41 -1.26 -1.23 113.62 117.17 1tid n SER 10 Ca -0.05 1.19 -0.19 0.00 -0.26 0.00 0.00 58.87 59.55 1tid n SER 10 Cb 0.58 -1.53 -0.02 0.00 -0.26 0.00 0.00 64.21 62.99 1tid n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tid n ALA 11 N 0.20 3.88 -2.76 7.33 0.00 0.99 -4.81 120.51 125.34 1tid n ALA 11 Ca 0.04 -1.71 -0.35 0.00 0.00 0.00 0.00 53.44 51.43 1tid n ALA 11 Cb 0.38 -2.95 -0.10 0.00 0.00 0.00 0.00 19.45 16.77 1tid n ALA 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1tid s ARG 12 N 3.85 3.27 0.62 0.00 0.52 -1.26 -3.87 118.95 122.09 1tid s ARG 12 Ca 0.33 -0.43 0.32 0.00 -0.52 0.00 0.00 55.73 55.44 1tid s ARG 12 Cb 0.09 -2.88 1.81 0.00 0.52 0.00 0.00 34.95 34.49 1tid s ARG 12 CO -0.01 0.54 2.11 0.66 0.02 0.00 0.00 175.30 178.62 1tid h SER 13 N 5.72 0.00 0.61 0.23 4.64 -1.97 0.09 113.55 122.87 1tid h SER 13 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1tid h SER 13 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1tid h SER 13 CO 0.58 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.70 1tid n GLU 14 N -3.45 0.00 0.00 4.77 0.00 -1.26 -2.54 120.64 118.17 1tid n GLU 14 Ca 0.00 0.19 0.09 0.00 0.00 0.00 0.00 57.16 57.44 1tid n GLU 14 Cb 0.29 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.17 1tid n GLU 14 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1tid n ASN 15 N -1.50 1.25 -0.00 -1.84 3.02 0.02 -4.61 115.26 111.60 1tid n ASN 15 Ca 0.04 -1.12 -0.10 0.00 -0.03 0.00 0.00 54.58 53.37 1tid n ASN 15 Cb 0.21 0.81 -0.04 0.00 -0.61 0.00 0.00 39.78 40.15 1tid n ASN 15 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1tid h GLU 16 N 0.80 -0.05 -0.39 3.52 5.08 -1.58 -1.42 114.58 120.54 1tid h GLU 16 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1tid h GLU 16 Cb 0.53 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1tid h GLU 16 CO 0.00 -0.04 0.20 1.03 -1.00 0.00 0.00 179.01 179.21 1tid h SER 17 N -0.06 0.31 -0.86 1.42 0.87 -1.81 -2.51 113.55 110.91 1tid h SER 17 Ca 0.07 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.75 1tid h SER 17 Cb 0.15 -0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 61.99 1tid h SER 17 CO -0.15 0.22 0.49 0.15 -0.53 0.00 0.00 176.83 177.02 1tid h PHE 18 N 0.41 0.89 0.20 2.24 3.57 -1.77 -0.63 116.94 121.85 1tid h PHE 18 Ca 0.16 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1tid h PHE 18 Cb 0.06 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1tid h PHE 18 CO -0.09 0.34 -0.10 0.00 -2.23 0.00 0.00 178.31 176.23 1tid h ALA 19 N 1.48 -0.27 -0.09 2.41 0.00 -0.85 -0.11 119.26 121.84 1tid h ALA 19 Ca 0.42 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1tid h ALA 19 Cb 0.43 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1tid h ALA 19 CO -0.27 -0.54 -0.39 0.07 0.00 0.00 0.00 179.25 178.13 1tid h ARG 20 N -0.49 0.19 -0.39 0.00 0.11 -1.33 -1.11 114.38 111.36 1tid h ARG 20 Ca -0.03 -0.08 -0.15 0.00 0.10 0.00 0.00 59.98 59.82 1tid h ARG 20 Cb 0.37 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 1tid h ARG 20 CO 0.05 0.55 -0.36 0.28 0.10 0.00 0.00 179.97 180.59 1tid h VAL 21 N 0.16 1.27 -0.32 0.08 2.07 -1.03 -0.89 116.25 117.60 1tid h VAL 21 Ca 0.02 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.02 1tid h VAL 21 Cb 0.76 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1tid h VAL 21 CO 0.06 0.51 0.19 0.74 0.02 0.00 0.00 177.57 179.09 1tid h THR 22 N 0.74 1.03 0.66 2.57 2.02 -0.67 -0.38 112.91 118.89 1tid h THR 22 Ca 0.06 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1tid h THR 22 Cb 0.95 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1tid h THR 22 CO 0.09 0.07 -0.40 0.58 0.37 0.00 0.00 175.52 176.23 1tid h VAL 23 N 0.38 0.18 -0.88 3.16 2.07 -1.06 -2.33 116.25 117.78 1tid h VAL 23 Ca 0.13 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.85 1tid h VAL 23 Cb 0.00 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 29.90 1tid h VAL 23 CO -0.06 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.12 1tid h ALA 24 N -0.75 2.31 -0.52 1.67 0.00 -0.92 -0.42 119.26 120.64 1tid h ALA 24 Ca -0.08 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1tid h ALA 24 Cb 0.81 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1tid h ALA 24 CO 0.08 -0.59 0.03 0.00 0.00 0.00 0.00 179.25 178.78 1tid h ALA 25 N 1.61 0.70 -0.31 0.00 0.00 -0.59 -1.73 119.26 118.93 1tid h ALA 25 Ca 0.45 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1tid h ALA 25 Cb 1.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1tid h ALA 25 CO -0.14 0.49 -0.31 0.35 0.00 0.00 0.00 179.25 179.64 1tid h PHE 26 N 0.78 0.91 0.00 0.00 3.57 -0.59 -3.13 116.94 118.48 1tid h PHE 26 Ca 0.15 -0.27 -0.07 0.00 3.53 0.00 0.00 57.97 61.31 1tid h PHE 26 Cb 0.49 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1tid h PHE 26 CO 0.04 1.04 -0.34 0.28 -2.23 0.00 0.00 178.31 177.09 1tid h VAL 27 N 0.52 1.18 0.00 1.41 2.07 -1.33 -3.05 116.25 117.05 1tid h VAL 27 Ca 0.05 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1tid h VAL 27 Cb 0.89 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1tid h VAL 27 CO 0.08 0.34 0.36 0.00 0.02 0.00 0.00 177.57 178.37 1tid h ALA 28 N 1.66 1.30 0.00 1.67 0.00 -1.25 0.45 119.26 123.09 1tid h ALA 28 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tid h ALA 28 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1tid h ALA 28 CO 0.04 -0.30 0.00 -0.56 0.00 0.00 0.00 179.25 178.43 1tid h GLN 29 N 0.00 0.00 -0.63 0.00 3.07 -1.71 0.73 115.11 116.56 1tid h GLN 29 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1tid h GLN 29 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.29 1tid h GLN 29 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 178.83 180.20 1tid n LEU 30 N -2.47 4.00 -4.08 0.06 4.77 0.15 -4.96 117.00 114.47 1tid n LEU 30 Ca -0.00 -2.02 -0.43 0.00 -0.03 0.00 0.00 56.01 53.53 1tid n LEU 30 Cb 0.15 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1tid n LEU 30 CO 0.17 0.67 -0.21 -0.67 -1.33 0.00 0.00 177.39 176.02 1tid n ASP 31 N 0.86 -3.33 -3.67 -1.43 -0.08 0.25 -4.94 116.55 104.21 1tid n ASP 31 Ca 0.21 -1.27 -0.27 0.00 -1.51 0.00 0.00 54.79 51.95 1tid n ASP 31 Cb 0.76 -1.82 0.20 0.00 2.34 0.00 0.00 41.12 42.60 1tid n ASP 31 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1tid n PRO 32 N -4.92 -1.75 0.00 -0.67 -0.04 -1.26 -5.12 135.00 121.24 1tid n PRO 32 Ca -0.15 -1.81 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1tid n PRO 32 Cb 0.59 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1tid n PRO 32 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1tid n THR 33 N -4.00 0.00 0.00 0.52 -1.04 -1.26 -4.91 114.28 103.59 1tid n THR 33 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1tid n THR 33 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 1tid n THR 33 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1tid n ASP 35 N 0.00 0.00 -0.33 8.00 8.00 -1.26 -0.91 116.55 130.04 1tid n ASP 35 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 1tid n ASP 35 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.30 1tid n ASP 35 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1tid h GLU 36 N 0.00 0.90 -0.38 -1.24 5.08 -2.00 0.07 114.58 117.00 1tid h GLU 36 Ca 0.00 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 1tid h GLU 36 Cb 0.00 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1tid h GLU 36 CO 0.00 0.59 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.29 1tid h LEU 37 N 0.92 0.88 -1.13 1.33 3.38 -1.38 -2.80 115.31 116.52 1tid h LEU 37 Ca 0.45 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1tid h LEU 37 Cb 0.41 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1tid h LEU 37 CO -0.25 1.12 0.59 0.74 0.09 0.00 0.00 178.44 180.73 1tid h THR 38 N 0.65 1.18 -0.30 0.22 2.02 -1.38 -0.85 112.91 114.44 1tid h THR 38 Ca 0.08 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.77 1tid h THR 38 Cb 0.82 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1tid h THR 38 CO 0.07 0.21 -0.14 -0.33 0.37 0.00 0.00 175.52 175.70 1tid h GLU 39 N 1.16 0.63 -0.10 6.66 5.08 -0.98 -1.69 114.58 125.35 1tid h GLU 39 Ca 0.35 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1tid h GLU 39 Cb -0.04 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1tid h GLU 39 CO -0.09 0.86 0.07 0.82 -1.00 0.00 0.00 179.01 179.66 1tid h ILE 40 N 0.39 1.04 -0.54 3.13 2.04 -1.19 0.29 117.51 122.68 1tid h ILE 40 Ca 0.07 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1tid h ILE 40 Cb 0.66 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1tid h ILE 40 CO 0.04 0.03 0.20 0.11 0.00 0.00 0.00 178.15 178.54 1tid h LYS 41 N 0.13 0.78 -0.11 2.37 1.57 -1.16 0.82 116.57 120.97 1tid h LYS 41 Ca 0.04 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1tid h LYS 41 Cb -0.00 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1tid h LYS 41 CO -0.01 0.65 -0.06 1.15 -0.57 0.00 0.00 179.45 180.62 1tid h THR 42 N 0.77 1.32 -0.54 -0.16 2.02 -0.87 -0.67 112.91 114.79 1tid h THR 42 Ca 0.18 -1.09 0.04 0.00 0.77 0.00 0.00 66.41 66.31 1tid h THR 42 Cb 0.17 1.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 1tid h THR 42 CO -0.02 0.31 0.29 0.58 0.37 0.00 0.00 175.52 177.05 1tid h VAL 43 N -0.13 0.97 -0.16 3.16 2.07 -0.01 0.49 116.25 122.65 1tid h VAL 43 Ca 0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1tid h VAL 43 Cb 0.52 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1tid h VAL 43 CO 0.02 0.10 0.10 0.58 0.02 0.00 0.00 177.57 178.39 1tid h VAL 44 N 0.55 1.05 -0.95 2.57 2.07 -0.80 -0.10 116.25 120.63 1tid h VAL 44 Ca 0.23 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1tid h VAL 44 Cb 0.12 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1tid h VAL 44 CO -0.15 0.05 0.63 -1.28 0.02 0.00 0.00 177.57 176.83 1tid h SER 45 N 0.20 1.05 0.35 0.57 0.87 -0.25 0.12 113.55 116.45 1tid h SER 45 Ca 0.06 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1tid h SER 45 Cb -0.01 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1tid h SER 45 CO -0.01 0.73 -0.17 -0.33 -0.53 0.00 0.00 176.83 176.52 1tid h GLU 46 N 1.22 -0.45 -0.34 2.24 4.39 0.75 -1.91 114.58 120.48 1tid h GLU 46 Ca 0.37 0.03 -0.07 0.00 0.34 0.00 0.00 59.36 60.03 1tid h GLU 46 Cb -0.02 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1tid h GLU 46 CO -0.11 -0.23 -0.07 0.00 -1.16 0.00 0.00 179.01 177.44 1tid h ALA 47 N 0.02 0.47 -0.81 3.43 0.00 -0.84 -2.76 119.26 118.77 1tid h ALA 47 Ca -0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1tid h ALA 47 Cb 0.43 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1tid h ALA 47 CO 0.08 0.31 0.37 0.28 0.00 0.00 0.00 179.25 180.28 1tid h VAL 48 N 0.45 1.26 -0.68 0.00 2.07 -0.82 -2.31 116.25 116.21 1tid h VAL 48 Ca 0.09 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1tid h VAL 48 Cb 0.57 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1tid h VAL 48 CO 0.03 0.32 0.26 0.74 0.02 0.00 0.00 177.57 178.94 1tid h THR 49 N 1.16 1.24 -0.12 2.57 2.02 -1.31 -1.87 112.91 116.59 1tid h THR 49 Ca 0.28 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 66.72 1tid h THR 49 Cb 0.15 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1tid h THR 49 CO -0.03 0.30 -0.02 0.78 0.37 0.00 0.00 175.52 176.92 1tid h ASN 50 N 0.98 -0.08 -0.40 4.18 2.35 -1.14 -0.95 115.58 120.52 1tid h ASN 50 Ca 0.23 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 56.06 1tid h ASN 50 Cb 0.20 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 1tid h ASN 50 CO -0.02 -0.02 0.13 0.00 -1.65 0.00 0.00 177.43 175.86 1tid h ALA 51 N 1.11 0.46 0.13 -0.83 0.00 -0.99 0.11 119.26 119.25 1tid h ALA 51 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1tid h ALA 51 Cb 0.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1tid h ALA 51 CO -0.11 -0.27 -0.06 0.82 0.00 0.00 0.00 179.25 179.63 1tid h ILE 52 N 0.28 1.02 0.02 0.00 2.04 -1.00 -1.52 117.51 118.35 1tid h ILE 52 Ca 0.18 -0.66 -0.27 0.00 1.00 0.00 0.00 64.86 65.11 1tid h ILE 52 Cb 0.18 1.43 0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1tid h ILE 52 CO -0.20 0.16 -1.07 0.16 0.00 0.00 0.00 178.15 177.19 1tid h ILE 53 N -0.49 1.28 0.00 -0.67 3.07 -1.15 -0.52 117.51 119.03 1tid h ILE 53 Ca -0.02 -2.28 0.00 0.00 1.55 0.00 0.00 64.86 64.11 1tid h ILE 53 Cb 0.39 2.45 0.00 0.00 -0.27 0.00 0.00 36.82 39.39 1tid h ILE 53 CO 0.03 0.70 -0.23 0.45 -1.05 0.00 0.00 178.15 178.05 1tid h HIS 54 N 0.36 0.00 -0.39 0.16 3.86 -0.91 -3.00 115.15 115.23 1tid h HIS 54 Ca -0.14 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.18 1tid h HIS 54 Cb 1.73 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.18 1tid h HIS 54 CO 0.11 0.00 0.33 0.78 0.86 0.00 0.00 177.93 180.00 1tid h GLY 55 N -0.65 0.00 0.00 2.45 0.00 -1.04 -3.20 103.07 100.63 1tid h GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1tid h GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1tid n TYR 56 N -4.12 0.00 -3.61 5.60 0.53 -0.81 -0.82 117.16 113.93 1tid n TYR 56 Ca 0.06 0.00 -0.28 0.00 -1.02 0.00 0.00 57.90 56.66 1tid n TYR 56 Cb 0.51 0.00 0.04 0.00 -1.03 0.00 0.00 39.34 38.86 1tid n TYR 56 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1tid n ASN 57 N -0.14 -5.59 -2.13 7.72 3.02 -0.99 -2.28 115.26 114.86 1tid n ASN 57 Ca 0.00 -0.94 -0.07 0.00 -0.03 0.00 0.00 54.58 53.54 1tid n ASN 57 Cb 0.09 -3.59 -0.01 0.00 -0.61 0.00 0.00 39.78 35.66 1tid n ASN 57 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1tid n ASN 58 N -2.68 -2.49 -4.46 6.41 3.02 -0.24 -4.93 115.26 109.89 1tid n ASN 58 Ca -0.09 0.28 -0.43 0.00 -0.03 0.00 0.00 54.58 54.31 1tid n ASN 58 Cb 0.59 -2.26 -0.08 0.00 -0.61 0.00 0.00 39.78 37.42 1tid n ASN 58 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1tid s ASP 59 N -1.91 6.20 0.59 6.41 2.15 -0.97 -4.97 116.67 124.18 1tid s ASP 59 Ca 0.00 -0.79 0.29 0.00 0.43 0.00 0.00 52.55 52.48 1tid s ASP 59 Cb 0.00 -2.24 1.61 0.00 -0.30 0.00 0.00 42.92 41.99 1tid s ASP 59 CO 0.00 -0.68 2.04 1.55 -0.17 0.00 0.00 175.17 177.91 1tid h PRO 60 N 8.81 0.00 0.00 4.34 0.13 -1.90 -1.96 132.00 141.41 1tid h PRO 60 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1tid h PRO 60 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1tid h PRO 60 CO 0.85 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.71 1tid n ASN 61 N -3.74 0.58 -4.78 1.44 3.02 -1.26 -2.72 115.26 107.80 1tid n ASN 61 Ca 0.03 0.74 -0.31 0.00 -0.03 0.00 0.00 54.58 55.02 1tid n ASN 61 Cb 0.43 -0.83 0.08 0.00 -0.61 0.00 0.00 39.78 38.85 1tid n ASN 61 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1tid s GLY 62 N -3.55 1.66 -0.06 7.41 0.00 -0.74 -4.85 107.32 107.20 1tid s GLY 62 Ca -0.01 0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.85 1tid s GLY 62 CO 0.24 0.48 -0.11 -0.42 0.00 0.00 0.00 173.10 173.29 1tid s ILE 63 N -2.98 1.02 -0.14 0.90 -1.09 -1.26 -0.01 121.20 117.65 1tid s ILE 63 Ca 0.60 -0.42 -0.08 0.00 -2.23 0.00 0.00 60.65 58.52 1tid s ILE 63 Cb -0.16 -0.94 -0.04 0.00 -1.58 0.00 0.00 42.46 39.73 1tid s ILE 63 CO 0.56 0.33 0.15 -0.69 -1.23 0.00 0.00 174.94 174.06 1tid s VAL 64 N 0.67 5.45 -0.18 2.92 1.01 -0.36 -4.42 120.40 125.49 1tid s VAL 64 Ca -0.13 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1tid s VAL 64 Cb -0.15 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1tid s VAL 64 CO 0.03 0.56 -0.19 -0.55 0.00 0.00 0.00 175.10 174.95 1tid s SER 65 N -0.59 3.22 -0.12 3.32 0.15 -0.08 -2.02 113.70 117.58 1tid s SER 65 Ca 0.13 -0.63 0.02 0.00 0.70 0.00 0.00 55.95 56.17 1tid s SER 65 Cb -0.12 -1.50 -0.01 0.00 -1.71 0.00 0.00 66.02 62.69 1tid s SER 65 CO 0.03 -0.00 -0.18 -0.63 1.20 0.00 0.00 173.24 173.65 1tid s ILE 66 N 1.30 2.54 0.07 6.45 1.01 0.12 -0.02 121.20 132.68 1tid s ILE 66 Ca 0.05 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.94 1tid s ILE 66 Cb -0.13 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1tid s ILE 66 CO -0.12 0.54 -0.20 -0.44 0.00 0.00 0.00 174.94 174.72 1tid s SER 67 N 0.44 3.71 -0.29 3.58 0.01 0.60 -0.35 113.70 121.41 1tid s SER 67 Ca -0.13 -0.52 -0.04 0.00 1.31 0.00 0.00 55.95 56.57 1tid s SER 67 Cb -0.17 -0.52 0.10 0.00 0.21 0.00 0.00 66.02 65.65 1tid s SER 67 CO 0.06 0.22 0.13 -0.69 0.41 0.00 0.00 173.24 173.37 1tid s VAL 68 N -1.00 -0.02 -0.30 3.43 1.01 -1.26 -1.40 120.40 120.86 1tid s VAL 68 Ca 0.15 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 1tid s VAL 68 Cb -0.10 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1tid s VAL 68 CO 0.07 -0.73 0.18 -0.63 0.00 0.00 0.00 175.10 173.99 1tid s ILE 69 N 2.07 4.97 -0.11 2.22 1.09 -0.31 -4.36 121.20 126.77 1tid s ILE 69 Ca 0.09 -0.15 -0.04 0.00 -1.10 0.00 0.00 60.65 59.45 1tid s ILE 69 Cb -0.16 -3.46 -0.04 0.00 -1.06 0.00 0.00 42.46 37.74 1tid s ILE 69 CO -0.36 0.14 0.04 -0.63 -0.10 0.00 0.00 174.94 174.03 1tid s ILE 70 N 1.69 4.68 -0.28 2.92 1.01 -0.08 -0.83 121.20 130.30 1tid s ILE 70 Ca 0.06 -0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.41 1tid s ILE 70 Cb -0.17 -3.00 0.12 0.00 0.01 0.00 0.00 42.46 39.42 1tid s ILE 70 CO 0.09 0.59 0.91 -0.70 0.00 0.00 0.00 174.94 175.83 1tid s GLU 71 N -0.78 0.53 -1.46 2.79 2.12 -0.49 -2.53 118.70 118.87 1tid s GLU 71 Ca 0.12 0.79 -0.01 0.00 0.36 0.00 0.00 54.97 56.24 1tid s GLU 71 Cb -0.12 0.17 0.01 0.00 0.26 0.00 0.00 34.13 34.45 1tid s GLU 71 CO 0.03 -0.09 0.31 -0.25 -0.54 0.00 0.00 175.26 174.72 1tid n ASP 72 N 3.32 -0.04 0.00 -1.70 8.00 -1.26 -0.03 116.55 124.84 1tid n ASP 72 Ca -0.17 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1tid n ASP 72 Cb 0.57 -2.63 0.00 0.00 -0.02 0.00 0.00 41.12 39.04 1tid n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tid n GLY 73 N -2.13 0.32 3.36 0.44 0.00 -1.26 -4.99 105.19 100.94 1tid n GLY 73 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1tid n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tid s VAL 74 N -1.75 2.98 -0.46 1.61 1.01 0.95 -5.02 120.40 119.72 1tid s VAL 74 Ca 0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 1tid s VAL 74 Cb 0.00 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.17 1tid s VAL 74 CO 0.00 0.53 0.58 -0.69 0.00 0.00 0.00 175.10 175.52 1tid s VAL 75 N 0.33 4.92 -0.62 2.92 1.01 0.11 -1.40 120.40 127.67 1tid s VAL 75 Ca -0.11 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1tid s VAL 75 Cb -0.16 -4.20 0.16 0.00 0.00 0.00 0.00 36.38 32.18 1tid s VAL 75 CO 0.06 -0.63 0.56 -1.00 0.00 0.00 0.00 175.10 174.09 1tid s HIS 76 N 2.56 3.42 -0.17 5.22 3.76 -0.01 -2.04 115.29 128.02 1tid s HIS 76 Ca 0.17 -1.57 -0.09 0.00 -0.15 0.00 0.00 55.06 53.42 1tid s HIS 76 Cb -0.17 -3.77 -0.05 0.00 1.11 0.00 0.00 32.58 29.71 1tid s HIS 76 CO 0.15 -1.01 0.13 -1.17 -0.85 0.00 0.00 174.74 171.99 1tid s LEU 77 N 1.13 4.26 -0.02 0.89 2.96 -0.35 -1.16 118.68 126.39 1tid s LEU 77 Ca 0.08 0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.32 1tid s LEU 77 Cb -0.24 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.38 1tid s LEU 77 CO -0.01 0.26 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.34 1tid s THR 78 N -0.14 0.55 -0.13 3.68 2.01 -0.50 0.33 115.64 121.43 1tid s THR 78 Ca 0.10 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 61.90 1tid s THR 78 Cb -0.11 -0.51 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1tid s THR 78 CO 0.00 0.19 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.24 1tid s VAL 79 N 0.30 1.80 0.16 3.82 1.01 -0.35 -0.29 120.40 126.85 1tid s VAL 79 Ca -0.04 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.20 1tid s VAL 79 Cb -0.08 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1tid s VAL 79 CO -0.00 0.50 -0.16 -0.13 0.00 0.00 0.00 175.10 175.31 1tid s ARG 80 N 1.00 1.21 -0.17 2.72 0.52 0.98 -0.61 118.95 124.60 1tid s ARG 80 Ca -0.04 -1.42 -0.18 0.00 -0.52 0.00 0.00 55.73 53.57 1tid s ARG 80 Cb -0.15 -1.12 0.05 0.00 0.52 0.00 0.00 34.95 34.26 1tid s ARG 80 CO -0.04 0.21 0.51 0.16 0.02 0.00 0.00 175.30 176.16 1tid s ASP 81 N -2.82 -0.52 -1.03 0.23 1.47 -0.98 -0.90 116.67 112.13 1tid s ASP 81 Ca 0.16 0.94 -0.01 0.00 1.18 0.00 0.00 52.55 54.81 1tid s ASP 81 Cb -0.04 0.95 0.32 0.00 -0.34 0.00 0.00 42.92 43.82 1tid s ASP 81 CO 0.05 -0.23 1.79 -0.62 0.68 0.00 0.00 175.17 176.84 1tid n GLU 82 N 2.55 5.35 -1.73 2.11 1.02 -1.26 0.85 120.64 129.52 1tid n GLU 82 Ca -0.14 -4.67 -0.02 0.00 -0.02 0.00 0.00 57.16 52.31 1tid n GLU 82 Cb 0.56 -2.47 -0.00 0.00 -0.02 0.00 0.00 31.44 29.51 1tid n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tid n GLY 83 N 0.04 3.21 0.58 0.62 0.00 -1.23 -4.63 105.19 103.78 1tid n GLY 83 Ca 0.45 -2.18 0.43 0.00 0.00 0.00 0.00 46.02 44.72 1tid n GLY 83 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1tid n VAL 84 N -0.51 0.00 0.00 1.61 0.31 -0.00 0.15 118.33 119.89 1tid n VAL 84 Ca -0.00 1.20 0.00 0.00 -0.01 0.00 0.00 64.34 65.53 1tid n VAL 84 Cb 0.04 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 30.97 1tid n VAL 84 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1tid n GLY 85 N -1.74 -1.71 3.10 2.92 0.00 -1.23 0.19 105.19 106.70 1tid n GLY 85 Ca 0.36 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 1tid n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tid s ILE 86 N -2.08 2.10 0.00 -0.61 1.01 -1.26 -4.75 121.20 115.62 1tid s ILE 86 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1tid s ILE 86 Cb 0.00 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.42 1tid s ILE 86 CO 0.00 0.28 0.55 -2.65 0.00 0.00 0.00 174.94 173.12 1tid n PRO 87 N 4.54 0.00 -3.38 2.79 -0.02 -1.26 -4.35 135.00 133.32 1tid n PRO 87 Ca -0.18 0.18 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1tid n PRO 87 Cb 0.46 -1.05 -0.09 0.00 -0.02 0.00 0.00 33.50 32.80 1tid n PRO 87 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1tid s ASP 88 N -2.26 6.15 0.05 2.55 -1.08 -1.26 -4.90 116.67 115.92 1tid s ASP 88 Ca 0.00 -0.92 0.00 0.00 -0.52 0.00 0.00 52.55 51.11 1tid s ASP 88 Cb 0.00 -2.19 -0.26 0.00 -1.46 0.00 0.00 42.92 39.01 1tid s ASP 88 CO 0.00 -0.56 1.02 0.40 0.52 0.00 0.00 175.17 176.55 1tid h ILE 89 N 5.70 1.36 0.00 4.11 2.04 -1.98 -2.78 117.51 125.96 1tid h ILE 89 Ca -0.27 -3.01 0.00 0.00 1.00 0.00 0.00 64.86 62.58 1tid h ILE 89 Cb 1.11 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 40.00 1tid h ILE 89 CO 0.80 0.85 0.00 -0.33 0.00 0.00 0.00 178.15 179.46 1tid h GLU 90 N 0.05 0.00 0.04 2.37 4.39 -1.97 -1.78 114.58 117.68 1tid h GLU 90 Ca -0.16 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.20 1tid h GLU 90 Cb 1.95 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.55 1tid h GLU 90 CO 0.16 0.00 -1.98 -1.91 -1.16 0.00 0.00 179.01 174.12 1tid n GLU 91 N -2.87 0.68 0.00 2.33 2.13 -1.22 -4.07 120.64 117.62 1tid n GLU 91 Ca -0.00 0.23 -0.06 0.00 0.66 0.00 0.00 57.16 57.98 1tid n GLU 91 Cb 0.20 -1.70 0.14 0.00 0.27 0.00 0.00 31.44 30.35 1tid n GLU 91 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1tid h ALA 92 N 0.61 0.94 0.00 4.31 0.00 -1.18 -2.38 119.26 121.57 1tid h ALA 92 Ca -0.40 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1tid h ALA 92 Cb 2.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1tid h ALA 92 CO 0.06 0.62 0.00 0.54 0.00 0.00 0.00 179.25 180.47 1tid n ARG 93 N -4.06 0.31 -2.75 0.00 1.74 -0.70 -4.67 116.66 106.53 1tid n ARG 93 Ca -0.01 0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.68 1tid n ARG 93 Cb 0.48 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.39 1tid n ARG 93 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1tid s GLN 94 N -2.10 4.20 0.18 5.56 -1.52 -0.90 -4.97 119.66 120.11 1tid s GLN 94 Ca 0.15 1.16 -0.31 0.00 -1.95 0.00 0.00 55.36 54.41 1tid s GLN 94 Cb 0.07 -3.65 -0.17 0.00 -0.22 0.00 0.00 33.01 29.04 1tid s GLN 94 CO 0.13 -0.62 0.87 -0.35 -0.25 0.00 0.00 175.29 175.07 1tid n PRO 95 N 6.26 0.56 -1.26 2.91 -0.04 -1.26 -1.18 135.00 140.99 1tid n PRO 95 Ca 0.10 0.20 -0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1tid n PRO 95 Cb 0.47 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 1tid n PRO 95 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1tid n LEU 96 N 1.78 -0.51 -4.77 1.53 4.77 -0.80 -5.01 117.00 113.99 1tid n LEU 96 Ca 0.16 0.22 -0.38 0.00 -0.03 0.00 0.00 56.01 55.98 1tid n LEU 96 Cb 0.23 -1.82 -0.06 0.00 -2.33 0.00 0.00 43.42 39.44 1tid n LEU 96 CO 0.59 -0.62 0.21 0.12 -1.33 0.00 0.00 177.39 176.35 1tid s PHE 97 N -2.18 3.66 0.10 -1.77 5.36 -0.32 -4.73 117.98 118.09 1tid s PHE 97 Ca 0.00 1.06 -0.15 0.00 -0.96 0.00 0.00 56.93 56.89 1tid s PHE 97 Cb 0.00 -2.50 0.03 0.00 -0.34 0.00 0.00 43.02 40.21 1tid s PHE 97 CO 0.00 0.39 0.35 -0.08 -1.46 0.00 0.00 175.22 174.43 1tid s THR 98 N -0.26 0.08 -0.08 0.12 -1.32 -1.26 -4.42 115.64 108.50 1tid s THR 98 Ca 0.27 -0.68 0.12 0.00 -1.21 0.00 0.00 61.69 60.19 1tid s THR 98 Cb -0.17 -1.14 0.18 0.00 -1.51 0.00 0.00 72.50 69.85 1tid s THR 98 CO 0.14 -0.38 1.07 0.35 -2.21 0.00 0.00 174.62 173.59 1tid n THR 99 N -0.00 1.30 -2.77 5.08 -2.24 -1.26 -4.76 114.28 109.63 1tid n THR 99 Ca -0.16 -1.53 -0.03 0.00 -2.27 0.00 0.00 64.05 60.05 1tid n THR 99 Cb 0.62 0.07 0.05 0.00 -2.10 0.00 0.00 70.33 68.97 1tid n THR 99 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tid n LYS 100 N -0.95 1.51 0.15 -0.78 4.76 -1.26 -4.92 118.16 116.66 1tid n LYS 100 Ca 0.10 -3.35 0.10 0.00 -2.87 0.00 0.00 58.31 52.29 1tid n LYS 100 Cb 0.59 -1.42 0.53 0.00 -1.84 0.00 0.00 35.03 32.89 1tid n LYS 100 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1tid n PRO 101 N -0.43 0.13 0.23 1.97 -0.04 -1.26 -0.82 135.00 134.78 1tid n PRO 101 Ca 0.07 0.61 0.13 0.00 -0.04 0.00 0.00 63.50 64.28 1tid n PRO 101 Cb 0.81 -1.91 0.31 0.00 -0.04 0.00 0.00 33.50 32.67 1tid n PRO 101 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1tid h GLU 102 N 0.00 0.00 -0.45 0.54 3.07 -1.93 -2.74 114.58 113.07 1tid h GLU 102 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1tid h GLU 102 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1tid h GLU 102 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 1tid n LEU 103 N -3.03 4.38 -3.83 1.33 4.77 0.00 -4.97 117.00 115.66 1tid n LEU 103 Ca 0.03 -2.68 -0.28 0.00 -0.03 0.00 0.00 56.01 53.05 1tid n LEU 103 Cb 0.46 -0.54 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1tid n LEU 103 CO 0.32 0.72 0.13 -0.62 -1.33 0.00 0.00 177.39 176.60 1tid n GLU 104 N 0.35 -6.04 -3.04 3.23 1.02 -1.03 -4.96 120.64 110.17 1tid n GLU 104 Ca 0.23 0.65 -0.40 0.00 -0.02 0.00 0.00 57.16 57.62 1tid n GLU 104 Cb 0.89 -5.56 -0.05 0.00 -0.02 0.00 0.00 31.44 26.70 1tid n GLU 104 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1tid s ARG 105 N -6.50 4.35 0.20 3.49 1.81 -1.21 -4.96 118.95 116.13 1tid s ARG 105 Ca 0.59 0.83 0.26 0.00 -1.72 0.00 0.00 55.73 55.69 1tid s ARG 105 Cb -0.29 -3.50 0.80 0.00 -0.45 0.00 0.00 34.95 31.50 1tid s ARG 105 CO 0.81 -0.09 1.76 -1.13 -0.68 0.00 0.00 175.30 175.97 1tid n SER 106 N 4.38 0.79 -1.70 0.23 3.41 -1.26 -4.59 113.62 114.87 1tid n SER 106 Ca -0.00 0.55 -0.01 0.00 -0.26 0.00 0.00 58.87 59.15 1tid n SER 106 Cb 0.50 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1tid n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tid n GLY 107 N 1.32 -1.84 4.36 5.00 0.00 -1.26 -4.65 105.19 108.11 1tid n GLY 107 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1tid n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tid n GLY 109 N -0.20 2.24 0.37 -0.02 0.00 -1.26 -1.91 105.19 104.41 1tid n GLY 109 Ca 0.01 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.02 1tid n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1tid h PHE 110 N 0.00 0.77 -0.47 1.61 -1.00 -1.96 -1.29 116.94 114.60 1tid h PHE 110 Ca 0.00 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.84 1tid h PHE 110 Cb 0.00 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.28 1tid h PHE 110 CO 0.00 0.31 0.25 1.15 -1.61 0.00 0.00 178.31 178.41 1tid h THR 111 N 0.67 0.98 0.00 -1.55 2.02 -1.93 0.27 112.91 113.37 1tid h THR 111 Ca 0.41 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.43 1tid h THR 111 Cb 0.65 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1tid h THR 111 CO -0.17 0.09 0.00 -0.38 0.37 0.00 0.00 175.52 175.43 1tid n ILE 112 N -4.88 0.04 0.00 3.11 5.41 -0.49 -1.45 119.36 121.11 1tid n ILE 112 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1tid n ILE 112 Cb 0.11 -0.22 0.00 0.00 -0.71 0.00 0.00 39.64 38.82 1tid n ILE 112 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1tid n GLU 114 N 0.59 0.00 0.16 0.38 -0.58 0.96 -0.93 120.64 121.22 1tid n GLU 114 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 1tid n GLU 114 Cb 0.04 0.00 0.14 0.00 -0.57 0.00 0.00 31.44 31.05 1tid n GLU 114 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1tid h ASN 115 N 0.00 0.00 -0.27 1.62 -0.26 -1.49 -3.43 115.58 111.74 1tid h ASN 115 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1tid h ASN 115 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1tid h ASN 115 CO 0.00 0.43 0.00 0.49 -1.06 0.00 0.00 177.43 177.29 1tid n PHE 116 N -3.29 0.86 0.04 1.19 0.99 -0.11 -5.13 117.46 112.01 1tid n PHE 116 Ca 0.01 -0.31 0.00 0.00 -0.00 0.00 0.00 57.45 57.16 1tid n PHE 116 Cb 0.65 -0.24 -0.00 0.00 -1.00 0.00 0.00 39.48 38.89 1tid n PHE 116 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1tid n ASP 118 N 0.31 0.60 -3.60 4.37 8.00 -0.48 -4.96 116.55 120.79 1tid n ASP 118 Ca 0.12 -0.80 -0.11 0.00 0.71 0.00 0.00 54.79 54.72 1tid n ASP 118 Cb 0.62 0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 42.13 1tid n ASP 118 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1tid s GLU 119 N -0.56 0.59 -0.20 -1.24 2.56 -1.21 -4.96 118.70 113.68 1tid s GLU 119 Ca 0.01 0.34 -0.04 0.00 0.00 0.00 0.00 54.97 55.27 1tid s GLU 119 Cb 0.01 0.28 0.10 0.00 2.00 0.00 0.00 34.13 36.52 1tid s GLU 119 CO 0.02 -0.14 0.34 0.08 -0.56 0.00 0.00 175.26 175.00 1tid s VAL 120 N -0.58 -0.53 -0.22 3.70 1.01 -1.26 -2.53 120.40 119.99 1tid s VAL 120 Ca -0.00 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1tid s VAL 120 Cb -0.02 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1tid s VAL 120 CO -0.01 -0.03 -0.13 -0.63 0.00 0.00 0.00 175.10 174.29 1tid s ILE 121 N 2.50 2.34 -0.35 2.22 1.01 -0.38 -4.97 121.20 123.56 1tid s ILE 121 Ca 0.06 -1.16 -0.06 0.00 0.00 0.00 0.00 60.65 59.49 1tid s ILE 121 Cb -0.14 -2.16 0.05 0.00 0.01 0.00 0.00 42.46 40.22 1tid s ILE 121 CO -0.13 0.28 0.13 -0.69 0.00 0.00 0.00 174.94 174.53 1tid s VAL 122 N 1.25 3.74 -0.05 2.92 1.01 -1.26 -0.33 120.40 127.68 1tid s VAL 122 Ca -0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 1tid s VAL 122 Cb -0.16 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1tid s VAL 122 CO -0.08 -0.26 0.08 -1.61 0.00 0.00 0.00 175.10 173.23 1tid s GLU 123 N 1.37 3.14 -0.16 2.72 8.01 -0.28 -5.01 118.70 128.50 1tid s GLU 123 Ca -0.01 -0.39 -0.30 0.00 0.01 0.00 0.00 54.97 54.29 1tid s GLU 123 Cb -0.20 -2.92 0.13 0.00 -4.31 0.00 0.00 34.13 26.83 1tid s GLU 123 CO 0.02 0.69 1.02 0.45 0.01 0.00 0.00 175.26 177.44 1tid s SER 124 N -1.42 -0.34 -0.01 -0.19 0.15 -1.26 -1.69 113.70 108.95 1tid s SER 124 Ca 0.19 0.35 0.01 0.00 0.70 0.00 0.00 55.95 57.20 1tid s SER 124 Cb -0.12 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1tid s SER 124 CO 0.10 -0.34 -0.05 -1.83 1.20 0.00 0.00 173.24 172.33 1tid s GLU 125 N -1.25 0.43 0.40 5.44 1.03 -1.25 -4.80 118.70 118.70 1tid s GLU 125 Ca -0.00 -0.15 -0.27 0.00 0.03 0.00 0.00 54.97 54.58 1tid s GLU 125 Cb -0.01 -0.43 -0.09 0.00 -0.80 0.00 0.00 34.13 32.80 1tid s GLU 125 CO 0.00 0.07 1.39 0.08 -1.33 0.00 0.00 175.26 175.47 1tid s VAL 126 N 0.06 2.33 0.00 1.83 1.01 -1.26 -2.87 120.40 121.49 1tid s VAL 126 Ca -0.00 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1tid s VAL 126 Cb -0.04 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1tid s VAL 126 CO -0.00 0.06 0.00 0.59 0.00 0.00 0.00 175.10 175.74 1tid n ASN 127 N 0.22 0.00 -0.09 3.32 5.03 0.49 -4.71 115.26 119.52 1tid n ASN 127 Ca 0.03 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.25 1tid n ASN 127 Cb 0.42 -1.34 -0.12 0.00 -1.02 0.00 0.00 39.78 37.72 1tid n ASN 127 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1tid n LYS 128 N -2.00 0.64 0.00 3.52 5.02 -1.14 -4.75 118.16 119.46 1tid n LYS 128 Ca 0.00 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1tid n LYS 128 Cb 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 1tid n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tid n GLY 129 N 1.74 0.66 3.77 0.72 0.00 0.39 -3.55 105.19 108.91 1tid n GLY 129 Ca -0.41 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 1tid n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tid s THR 130 N -3.75 0.00 -0.20 2.61 2.01 0.25 -3.57 115.64 112.98 1tid s THR 130 Ca 0.00 -1.09 -0.15 0.00 0.31 0.00 0.00 61.69 60.76 1tid s THR 130 Cb 0.00 -2.73 0.06 0.00 0.01 0.00 0.00 72.50 69.83 1tid s THR 130 CO 0.00 0.00 0.52 -0.89 -0.69 0.00 0.00 174.62 173.56 1tid s THR 131 N -2.63 -0.01 -0.08 -0.82 2.01 -0.68 -2.31 115.64 111.12 1tid s THR 131 Ca 0.17 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1tid s THR 131 Cb -0.05 -0.74 0.02 0.00 0.01 0.00 0.00 72.50 71.75 1tid s THR 131 CO 0.12 0.01 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.31 1tid s VAL 132 N 0.80 0.82 -0.20 3.82 1.01 0.22 -1.12 120.40 125.74 1tid s VAL 132 Ca -0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1tid s VAL 132 Cb -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1tid s VAL 132 CO -0.06 0.32 -0.01 -0.47 0.00 0.00 0.00 175.10 174.87 1tid s TYR 133 N 1.45 3.01 0.12 5.22 5.04 0.55 -1.22 117.35 131.52 1tid s TYR 133 Ca -0.01 -0.55 0.11 0.00 -2.44 0.00 0.00 57.07 54.18 1tid s TYR 133 Cb -0.13 -2.07 -0.04 0.00 0.35 0.00 0.00 41.96 40.06 1tid s TYR 133 CO -0.04 -0.29 -0.27 -0.51 -1.34 0.00 0.00 175.55 173.10 1tid s LEU 134 N 1.04 2.32 -0.01 6.97 1.02 0.15 -1.25 118.68 128.93 1tid s LEU 134 Ca 0.02 -0.73 0.02 0.00 0.02 0.00 0.00 54.13 53.45 1tid s LEU 134 Cb -0.14 -1.24 0.00 0.00 0.02 0.00 0.00 46.19 44.83 1tid s LEU 134 CO 0.01 0.19 -0.06 -0.75 0.02 0.00 0.00 176.35 175.75 1tid s LYS 135 N -2.01 0.59 0.00 1.70 2.20 -1.05 -1.21 119.74 119.96 1tid s LYS 135 Ca 0.14 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 1tid s LYS 135 Cb -0.10 -0.58 0.00 0.00 -1.51 0.00 0.00 37.83 35.64 1tid s LYS 135 CO 0.06 0.10 0.00 1.17 -0.36 0.00 0.00 175.35 176.32