#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tiq s VAL 3 N 0.00 4.58 0.00 2.46 1.01 -1.26 -1.48 120.40 125.71 1tiq s VAL 3 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1tiq s VAL 3 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1tiq s VAL 3 CO 0.00 0.49 0.00 0.29 0.00 0.00 0.00 175.10 175.88 1tiq n LYS 4 N 3.31 0.00 0.00 2.72 5.02 -0.95 -4.98 118.16 123.28 1tiq n LYS 4 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1tiq n LYS 4 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 1tiq n LYS 4 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1tiq n LYS 6 N 0.00 0.00 -2.29 1.97 3.00 -0.61 0.14 118.16 120.37 1tiq n LYS 6 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.91 1tiq n LYS 6 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 1tiq n LYS 6 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1tiq s LYS 7 N -1.07 4.34 0.34 1.64 2.20 -1.26 -0.65 119.74 125.27 1tiq s LYS 7 Ca 0.00 1.96 -0.19 0.00 -0.36 0.00 0.00 55.97 57.38 1tiq s LYS 7 Cb 0.00 -2.97 -0.10 0.00 -1.51 0.00 0.00 37.83 33.26 1tiq s LYS 7 CO 0.00 -0.11 0.83 0.00 -0.36 0.00 0.00 175.35 175.71 1tiq s SER 9 N -2.07 4.24 0.56 0.00 0.01 -1.26 -4.78 113.70 110.39 1tiq s SER 9 Ca 0.55 -1.29 0.25 0.00 1.31 0.00 0.00 55.95 56.76 1tiq s SER 9 Cb -0.12 -0.16 1.60 0.00 0.21 0.00 0.00 66.02 67.55 1tiq s SER 9 CO 0.17 -0.64 2.20 -0.09 0.41 0.00 0.00 173.24 175.29 1tiq h ARG 10 N 1.43 0.00 0.00 12.44 2.43 -1.98 -0.98 114.38 127.72 1tiq h ARG 10 Ca -0.43 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.72 1tiq h ARG 10 Cb 1.27 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1tiq h ARG 10 CO 0.73 0.02 -0.11 0.93 -1.51 0.00 0.00 179.97 180.02 1tiq h GLU 11 N 0.00 0.00 -0.07 0.20 5.08 -2.01 -2.80 114.58 114.98 1tiq h GLU 11 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tiq h GLU 11 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1tiq h GLU 11 CO 0.00 0.11 0.00 -0.25 -1.00 0.00 0.00 179.01 177.87 1tiq n ASP 12 N -3.26 0.53 -0.14 1.42 8.00 -0.37 -4.31 116.55 118.41 1tiq n ASP 12 Ca 0.00 -1.70 -0.10 0.00 0.71 0.00 0.00 54.79 53.71 1tiq n ASP 12 Cb 0.36 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 1tiq n ASP 12 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1tiq h LEU 13 N 0.65 -1.46 -0.42 0.64 5.85 -1.62 0.23 115.31 119.19 1tiq h LEU 13 Ca 0.00 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1tiq h LEU 13 Cb 0.14 0.64 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1tiq h LEU 13 CO 0.00 -0.36 0.24 1.56 -0.34 0.00 0.00 178.44 179.54 1tiq h GLN 14 N -0.31 0.58 -0.34 1.25 7.50 -1.87 -1.20 115.11 120.72 1tiq h GLN 14 Ca 0.14 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.24 1tiq h GLN 14 Cb 0.58 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.98 1tiq h GLN 14 CO -0.60 0.45 0.23 1.15 -1.50 0.00 0.00 178.83 178.56 1tiq h THR 15 N 0.55 1.09 -0.47 -0.54 2.02 -1.69 -1.94 112.91 111.93 1tiq h THR 15 Ca 0.15 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.20 1tiq h THR 15 Cb 0.02 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 1tiq h THR 15 CO -0.03 0.08 0.26 0.25 0.37 0.00 0.00 175.52 176.46 1tiq h LEU 16 N 0.46 0.40 -0.08 2.58 5.85 -0.34 -1.41 115.31 122.76 1tiq h LEU 16 Ca 0.12 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1tiq h LEU 16 Cb -0.05 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1tiq h LEU 16 CO -0.03 0.28 -0.15 -0.61 -0.34 0.00 0.00 178.44 177.59 1tiq h GLN 17 N 0.52 -0.20 -0.33 1.25 4.15 -0.80 0.15 115.11 119.85 1tiq h GLN 17 Ca 0.20 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.64 1tiq h GLN 17 Cb 0.07 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 1tiq h GLN 17 CO -0.12 -0.14 0.20 1.96 -1.93 0.00 0.00 178.83 178.80 1tiq h GLN 18 N -0.21 0.39 -0.43 1.69 1.08 -1.11 0.14 115.11 116.65 1tiq h GLN 18 Ca 0.08 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1tiq h GLN 18 Cb 0.32 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1tiq h GLN 18 CO -0.21 0.26 0.29 1.25 -0.95 0.00 0.00 178.83 179.46 1tiq h LEU 19 N 0.40 0.49 -0.26 1.46 5.85 -0.90 -0.56 115.31 121.80 1tiq h LEU 19 Ca 0.13 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.62 1tiq h LEU 19 Cb -0.01 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1tiq h LEU 19 CO -0.05 0.36 -0.81 0.28 -0.34 0.00 0.00 178.44 177.87 1tiq h SER 20 N 0.58 0.66 -0.11 1.25 0.02 0.18 -2.52 113.55 113.60 1tiq h SER 20 Ca 0.16 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1tiq h SER 20 Cb -0.06 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 1tiq h SER 20 CO -0.03 1.23 -0.01 0.40 -1.14 0.00 0.00 176.83 177.27 1tiq h ILE 21 N 0.35 1.27 -0.19 3.27 2.04 0.19 -1.98 117.51 122.46 1tiq h ILE 21 Ca -0.05 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 1tiq h ILE 21 Cb 1.42 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1tiq h ILE 21 CO 0.15 0.25 -0.12 1.05 0.00 0.00 0.00 178.15 179.48 1tiq h GLU 22 N -0.10 0.41 0.00 2.37 4.11 -1.23 0.28 114.58 120.43 1tiq h GLU 22 Ca 0.03 -0.19 -0.03 0.00 0.07 0.00 0.00 59.36 59.24 1tiq h GLU 22 Cb 0.40 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1tiq h GLU 22 CO 0.01 0.73 -0.12 1.79 0.07 0.00 0.00 179.01 181.49 1tiq h THR 23 N 0.09 0.47 0.00 -1.06 1.35 -1.52 -2.66 112.91 109.59 1tiq h THR 23 Ca 0.04 -0.61 -0.16 0.00 -0.55 0.00 0.00 66.41 65.13 1tiq h THR 23 Cb 0.62 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 68.43 1tiq h THR 23 CO 0.03 0.12 -1.86 0.33 -0.25 0.00 0.00 175.52 173.89 1tiq n PHE 24 N -3.50 0.38 0.00 4.73 7.35 -0.75 -4.65 117.46 121.01 1tiq n PHE 24 Ca -0.01 0.12 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 1tiq n PHE 24 Cb 0.27 -0.86 0.00 0.00 0.35 0.00 0.00 39.48 39.24 1tiq n PHE 24 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1tiq n ASN 25 N -2.63 0.00 -3.67 -2.13 4.05 0.98 -5.07 115.26 106.79 1tiq n ASN 25 Ca -0.14 0.35 -0.29 0.00 0.45 0.00 0.00 54.58 54.95 1tiq n ASN 25 Cb 0.83 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 41.71 1tiq n ASN 25 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1tiq s ASP 26 N -2.14 3.42 0.00 1.20 1.11 -1.23 -5.09 116.67 113.94 1tiq s ASP 26 Ca 0.00 -2.86 0.00 0.00 0.18 0.00 0.00 52.55 49.87 1tiq s ASP 26 Cb 0.00 -0.99 0.00 0.00 1.07 0.00 0.00 42.92 43.00 1tiq s ASP 26 CO 0.00 -0.23 0.00 1.21 1.18 0.00 0.00 175.17 177.33 1tiq n GLU 35 N 3.22 0.00 0.00 8.23 2.13 -1.26 -4.75 120.64 128.21 1tiq n GLU 35 Ca 0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1tiq n GLU 35 Cb 0.37 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.08 1tiq n GLU 35 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1tiq n ASN 36 N 0.07 1.66 0.00 4.31 5.03 -1.26 -2.91 115.26 122.16 1tiq n ASN 36 Ca 0.00 -1.15 0.00 0.00 0.87 0.00 0.00 54.58 54.30 1tiq n ASN 36 Cb 0.00 -0.29 0.00 0.00 -1.02 0.00 0.00 39.78 38.47 1tiq n ASN 36 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1tiq n LYS 38 N 0.68 0.00 -0.16 3.52 4.81 -1.26 -3.40 118.16 122.35 1tiq n LYS 38 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1tiq n LYS 38 Cb 0.28 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.34 1tiq n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1tiq h ALA 39 N 0.00 0.61 0.00 3.14 0.00 -1.97 -1.19 119.26 119.85 1tiq h ALA 39 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1tiq h ALA 39 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1tiq h ALA 39 CO 0.00 0.16 -0.21 -0.92 0.00 0.00 0.00 179.25 178.28 1tiq h TYR 40 N 0.62 0.00 0.38 0.00 3.20 -1.87 -2.37 116.97 116.94 1tiq h TYR 40 Ca 0.16 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1tiq h TYR 40 Cb 0.10 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1tiq h TYR 40 CO -0.01 0.21 -0.18 1.25 -1.64 0.00 0.00 178.16 177.78 1tiq h LEU 41 N 0.00 -0.44 -1.76 2.82 5.85 -1.65 -3.17 115.31 116.95 1tiq h LEU 41 Ca -0.00 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1tiq h LEU 41 Cb 0.61 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1tiq h LEU 41 CO 0.03 0.01 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.67 1tiq h GLU 42 N -1.06 0.00 -0.85 1.25 5.08 -1.25 -1.37 114.58 116.37 1tiq h GLU 42 Ca -0.05 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1tiq h GLU 42 Cb 0.49 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 1tiq h GLU 42 CO 0.09 0.14 0.20 -1.13 -1.00 0.00 0.00 179.01 177.31 1tiq n SER 43 N -4.28 3.90 0.00 1.42 3.41 -0.89 -3.60 113.62 113.57 1tiq n SER 43 Ca -0.03 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.74 1tiq n SER 43 Cb 0.21 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1tiq n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tiq n ALA 44 N -0.05 2.41 -1.25 7.33 0.00 -0.88 -4.88 120.51 123.20 1tiq n ALA 44 Ca 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.61 1tiq n ALA 44 Cb 1.08 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.75 1tiq n ALA 44 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1tiq n PHE 45 N -2.07 2.21 -2.35 0.00 3.72 -0.57 -4.52 117.46 113.89 1tiq n PHE 45 Ca 0.00 -1.58 -0.37 0.00 -0.05 0.00 0.00 57.45 55.45 1tiq n PHE 45 Cb 0.00 -0.72 -0.02 0.00 -0.94 0.00 0.00 39.48 37.80 1tiq n PHE 45 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1tiq s ASN 46 N -1.66 6.38 0.21 4.37 3.84 -1.24 -4.81 114.94 122.03 1tiq s ASN 46 Ca 0.52 2.23 -0.14 0.00 0.21 0.00 0.00 52.86 55.68 1tiq s ASN 46 Cb 0.44 -2.60 0.22 0.00 -0.55 0.00 0.00 41.25 38.76 1tiq s ASN 46 CO 0.08 -0.77 1.62 0.71 -2.79 0.00 0.00 177.10 175.95 1tiq h THR 47 N 2.00 0.36 -0.44 -5.21 1.35 -1.94 0.12 112.91 109.15 1tiq h THR 47 Ca -0.49 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.32 1tiq h THR 47 Cb 1.24 0.36 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 1tiq h THR 47 CO 0.61 0.00 0.07 -0.33 -0.25 0.00 0.00 175.52 175.62 1tiq h GLU 48 N -0.02 0.72 0.19 4.72 5.08 -1.99 -1.96 114.58 121.32 1tiq h GLU 48 Ca 0.29 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1tiq h GLU 48 Cb 0.47 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1tiq h GLU 48 CO -0.64 0.75 -0.09 0.37 -1.00 0.00 0.00 179.01 178.40 1tiq h GLN 49 N 0.58 -0.24 -0.25 2.33 5.75 -1.64 -2.52 115.11 119.11 1tiq h GLN 49 Ca 0.13 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1tiq h GLN 49 Cb 0.38 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1tiq h GLN 49 CO 0.01 -0.15 0.04 -0.07 -2.65 0.00 0.00 178.83 176.00 1tiq h LEU 50 N -0.26 0.33 -1.01 -2.39 3.38 -0.79 -2.12 115.31 112.46 1tiq h LEU 50 Ca -0.03 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1tiq h LEU 50 Cb 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1tiq h LEU 50 CO 0.04 0.36 -0.02 -0.08 0.09 0.00 0.00 178.44 178.84 1tiq h GLU 51 N 0.36 0.69 -0.34 1.13 4.81 -1.08 -0.87 114.58 119.29 1tiq h GLU 51 Ca 0.09 -0.18 -0.14 0.00 -0.13 0.00 0.00 59.36 59.00 1tiq h GLU 51 Cb 0.18 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1tiq h GLU 51 CO -0.00 0.72 -0.33 -0.22 -0.73 0.00 0.00 179.01 178.45 1tiq h LYS 52 N 0.65 0.82 -0.66 1.92 3.64 -0.98 -2.35 116.57 119.61 1tiq h LYS 52 Ca 0.13 -0.43 -0.06 0.00 -1.27 0.00 0.00 60.65 59.01 1tiq h LYS 52 Cb 0.43 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1tiq h LYS 52 CO 0.02 1.07 0.17 0.93 -2.27 0.00 0.00 179.45 179.36 1tiq h GLU 53 N 0.60 1.06 0.00 1.90 5.08 -1.11 -1.73 114.58 120.37 1tiq h GLU 53 Ca 0.05 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1tiq h GLU 53 Cb 0.92 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1tiq h GLU 53 CO 0.08 0.94 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.85 1tiq h LEU 54 N 0.98 0.00 -0.07 1.33 3.38 -1.11 -2.31 115.31 117.53 1tiq h LEU 54 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1tiq h LEU 54 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1tiq h LEU 54 CO 0.00 0.11 -0.50 -0.24 0.09 0.00 0.00 178.44 177.91 1tiq n SER 55 N -3.41 0.60 -2.79 -0.43 2.88 -0.83 -4.83 113.62 104.82 1tiq n SER 55 Ca -0.01 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 1tiq n SER 55 Cb 0.29 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1tiq n SER 55 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1tiq n ASN 56 N -1.39 -0.35 0.00 -3.46 2.85 -0.71 -5.03 115.26 107.17 1tiq n ASN 56 Ca 0.06 -0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.17 1tiq n ASN 56 Cb 0.34 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.36 1tiq n ASN 56 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1tiq n SER 58 N -1.61 0.00 -4.34 1.20 7.64 -1.26 -4.67 113.62 110.57 1tiq n SER 58 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 1tiq n SER 58 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1tiq n SER 58 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1tiq s SER 59 N 0.00 2.89 -0.12 6.43 0.01 -1.26 -1.20 113.70 120.45 1tiq s SER 59 Ca 0.00 -0.75 -0.08 0.00 1.31 0.00 0.00 55.95 56.43 1tiq s SER 59 Cb 0.00 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.09 1tiq s SER 59 CO 0.00 0.09 0.30 -1.58 0.41 0.00 0.00 173.24 172.45 1tiq s GLN 60 N -2.17 0.29 -0.05 12.44 0.74 -0.60 -5.00 119.66 125.32 1tiq s GLN 60 Ca 0.12 0.54 0.03 0.00 0.05 0.00 0.00 55.36 56.10 1tiq s GLN 60 Cb -0.09 -0.00 -0.03 0.00 1.10 0.00 0.00 33.01 33.99 1tiq s GLN 60 CO 0.06 -0.12 -0.13 -0.06 -0.55 0.00 0.00 175.29 174.48 1tiq s PHE 61 N 0.92 2.73 -0.02 1.67 0.40 -1.26 -1.30 117.98 121.11 1tiq s PHE 61 Ca -0.06 -0.14 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 1tiq s PHE 61 Cb -0.07 -1.63 -0.00 0.00 0.51 0.00 0.00 43.02 41.83 1tiq s PHE 61 CO -0.06 0.21 -0.12 -0.06 0.70 0.00 0.00 175.22 175.88 1tiq s PHE 62 N -0.76 1.20 0.02 0.36 0.08 -0.56 -0.08 117.98 118.24 1tiq s PHE 62 Ca 0.12 -0.28 -0.02 0.00 0.12 0.00 0.00 56.93 56.87 1tiq s PHE 62 Cb -0.11 -0.81 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 1tiq s PHE 62 CO 0.01 -0.08 0.18 -0.06 -0.10 0.00 0.00 175.22 175.17 1tiq s PHE 63 N -0.06 3.51 -0.06 0.36 2.99 0.17 -1.65 117.98 123.24 1tiq s PHE 63 Ca 0.00 0.30 0.06 0.00 0.00 0.00 0.00 56.93 57.30 1tiq s PHE 63 Cb -0.08 -1.79 -0.01 0.00 0.00 0.00 0.00 43.02 41.14 1tiq s PHE 63 CO 0.00 0.62 -0.24 -1.50 -0.00 0.00 0.00 175.22 174.11 1tiq s ILE 64 N -1.37 1.95 0.09 0.64 2.07 -0.58 -1.58 121.20 122.42 1tiq s ILE 64 Ca 0.29 -1.01 0.10 0.00 -1.41 0.00 0.00 60.65 58.62 1tiq s ILE 64 Cb -0.13 -1.65 -0.04 0.00 0.13 0.00 0.00 42.46 40.77 1tiq s ILE 64 CO 0.21 0.54 -0.24 -0.31 -1.91 0.00 0.00 174.94 173.23 1tiq s TYR 65 N -0.12 2.38 -0.42 3.50 2.02 0.12 -0.79 117.35 124.04 1tiq s TYR 65 Ca -0.04 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 1tiq s TYR 65 Cb -0.13 -1.34 0.13 0.00 -0.40 0.00 0.00 41.96 40.22 1tiq s TYR 65 CO 0.04 0.27 0.21 0.12 -1.57 0.00 0.00 175.55 174.62 1tiq s PHE 66 N -0.97 2.12 -0.50 2.71 5.36 0.12 -2.23 117.98 124.59 1tiq s PHE 66 Ca 0.14 -2.42 -0.13 0.00 -0.96 0.00 0.00 56.93 53.56 1tiq s PHE 66 Cb -0.10 -1.99 0.02 0.00 -0.34 0.00 0.00 43.02 40.61 1tiq s PHE 66 CO 0.05 -0.80 0.62 -0.25 -1.46 0.00 0.00 175.22 173.39 1tiq n ASP 67 N 3.72 -7.85 0.00 6.13 8.00 -0.55 -3.11 116.55 122.89 1tiq n ASP 67 Ca 0.07 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1tiq n ASP 67 Cb 0.36 -5.27 0.00 0.00 -0.02 0.00 0.00 41.12 36.18 1tiq n ASP 67 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1tiq n HIS 68 N -0.62 0.00 -4.23 1.24 8.25 -1.26 -4.92 115.22 113.68 1tiq n HIS 68 Ca 0.09 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.20 1tiq n HIS 68 Cb 0.48 -0.61 -0.09 0.00 1.12 0.00 0.00 29.99 30.89 1tiq n HIS 68 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1tiq s GLU 69 N 0.00 3.28 -0.13 -0.41 2.02 -1.18 -5.07 118.70 117.21 1tiq s GLU 69 Ca 0.00 -0.36 -0.29 0.00 0.02 0.00 0.00 54.97 54.34 1tiq s GLU 69 Cb 0.00 -2.94 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 1tiq s GLU 69 CO 0.00 0.61 1.22 -1.50 0.02 0.00 0.00 175.26 175.61 1tiq s ILE 70 N -0.62 4.31 -0.39 -1.63 1.10 -1.26 0.11 121.20 122.82 1tiq s ILE 70 Ca 0.11 1.60 0.20 0.00 -0.51 0.00 0.00 60.65 62.04 1tiq s ILE 70 Cb -0.12 -4.03 -0.27 0.00 0.15 0.00 0.00 42.46 38.19 1tiq s ILE 70 CO 0.02 -0.08 0.60 0.00 -2.11 0.00 0.00 174.94 173.36 1tiq n ALA 71 N 6.02 3.48 0.00 1.50 0.00 0.03 -4.89 120.51 126.64 1tiq n ALA 71 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1tiq n ALA 71 Cb 0.45 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1tiq n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tiq n GLY 72 N 1.40 -1.21 3.78 0.00 0.00 -1.17 -0.52 105.19 107.47 1tiq n GLY 72 Ca -0.01 -1.11 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 1tiq n GLY 72 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tiq s TYR 73 N -3.00 -0.11 0.01 1.61 1.13 -0.44 -1.52 117.35 115.03 1tiq s TYR 73 Ca 0.00 -0.32 -0.01 0.00 -1.41 0.00 0.00 57.07 55.34 1tiq s TYR 73 Cb 0.00 0.60 -0.01 0.00 -1.10 0.00 0.00 41.96 41.45 1tiq s TYR 73 CO 0.00 -1.16 -0.00 0.54 -2.51 0.00 0.00 175.55 172.41 1tiq s VAL 74 N -3.93 0.08 -0.08 -3.49 0.11 -0.66 -0.99 120.40 111.45 1tiq s VAL 74 Ca 0.12 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.52 1tiq s VAL 74 Cb -0.05 -0.22 0.01 0.00 -1.53 0.00 0.00 36.38 34.59 1tiq s VAL 74 CO 0.06 -0.37 -0.14 -0.75 -3.33 0.00 0.00 175.10 170.57 1tiq s LYS 75 N -1.10 1.94 0.16 1.54 2.20 0.49 -1.50 119.74 123.46 1tiq s LYS 75 Ca -0.12 -0.49 0.11 0.00 -0.36 0.00 0.00 55.97 55.11 1tiq s LYS 75 Cb -0.07 -1.61 -0.04 0.00 -1.51 0.00 0.00 37.83 34.60 1tiq s LYS 75 CO -0.01 0.02 -0.23 0.14 -0.36 0.00 0.00 175.35 174.91 1tiq s VAL 76 N 0.73 2.44 0.06 4.02 -7.23 -0.42 -1.12 120.40 118.88 1tiq s VAL 76 Ca -0.13 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 1tiq s VAL 76 Cb -0.16 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1tiq s VAL 76 CO 0.03 -0.01 -0.12 0.20 -0.31 0.00 0.00 175.10 174.89 1tiq s ASN 77 N -2.37 1.44 0.16 4.85 0.02 0.20 -1.56 114.94 117.68 1tiq s ASN 77 Ca 0.18 -0.56 0.01 0.00 -1.02 0.00 0.00 52.86 51.47 1tiq s ASN 77 Cb -0.09 -0.04 -0.04 0.00 0.02 0.00 0.00 41.25 41.10 1tiq s ASN 77 CO 0.09 -0.09 0.02 0.27 0.02 0.00 0.00 177.10 177.41 1tiq s ILE 78 N -1.20 0.49 0.00 0.60 -4.36 -0.34 -0.16 121.20 116.23 1tiq s ILE 78 Ca -0.03 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.40 1tiq s ILE 78 Cb -0.09 -2.10 0.00 0.00 1.25 0.00 0.00 42.46 41.51 1tiq s ILE 78 CO 0.02 -0.47 0.00 0.47 0.24 0.00 0.00 174.94 175.20 1tiq n ASP 79 N -0.20 0.00 0.00 4.36 8.00 -1.26 -1.53 116.55 125.93 1tiq n ASP 79 Ca -0.06 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.48 1tiq n ASP 79 Cb 0.63 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.99 1tiq n ASP 79 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1tiq n ASP 80 N 1.84 0.00 0.08 -2.24 8.00 -1.26 -2.78 116.55 120.19 1tiq n ASP 80 Ca 0.00 -0.95 0.07 0.00 0.71 0.00 0.00 54.79 54.62 1tiq n ASP 80 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1tiq n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tiq h ALA 81 N 2.66 0.56 -2.60 2.24 0.00 -1.55 -3.47 119.26 117.10 1tiq h ALA 81 Ca 0.00 -0.32 -0.56 0.00 0.00 0.00 0.00 54.91 54.03 1tiq h ALA 81 Cb 0.00 0.10 0.10 0.00 0.00 0.00 0.00 17.79 17.99 1tiq h ALA 81 CO 0.00 0.35 0.68 1.04 0.00 0.00 0.00 179.25 181.32 1tiq n GLN 82 N -2.76 2.35 0.12 0.00 6.02 -1.12 -4.84 117.38 117.15 1tiq n GLN 82 Ca -0.04 0.83 0.09 0.00 -0.01 0.00 0.00 57.00 57.88 1tiq n GLN 82 Cb 0.66 -2.51 0.46 0.00 1.02 0.00 0.00 30.24 29.86 1tiq n GLN 82 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1tiq n SER 83 N 1.52 0.46 -4.06 1.08 3.41 -1.26 -4.47 113.62 110.30 1tiq n SER 83 Ca 0.07 0.68 -0.17 0.00 -0.26 0.00 0.00 58.87 59.19 1tiq n SER 83 Cb 0.35 -0.76 -0.13 0.00 -0.26 0.00 0.00 64.21 63.41 1tiq n SER 83 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1tiq s GLU 84 N -3.38 0.70 0.04 4.33 0.41 -1.26 -5.20 118.70 114.33 1tiq s GLU 84 Ca -0.00 -0.53 -0.30 0.00 -0.41 0.00 0.00 54.97 53.73 1tiq s GLU 84 Cb 0.06 -0.64 -0.05 0.00 -1.78 0.00 0.00 34.13 31.73 1tiq s GLU 84 CO 0.21 0.16 1.09 -1.21 -0.49 0.00 0.00 175.26 175.02 1tiq s GLU 85 N -0.78 4.51 0.29 1.61 2.02 -1.26 -5.01 118.70 120.07 1tiq s GLU 85 Ca -0.00 1.60 0.03 0.00 0.02 0.00 0.00 54.97 56.62 1tiq s GLU 85 Cb -0.06 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 1tiq s GLU 85 CO 0.00 -0.13 0.25 0.20 0.02 0.00 0.00 175.26 175.60 1tiq s GLY 87 N 0.94 1.93 0.00 -1.39 0.00 -1.26 -5.19 107.32 102.35 1tiq s GLY 87 Ca 0.55 -1.88 0.08 0.00 0.00 0.00 0.00 44.72 43.47 1tiq s GLY 87 CO 0.29 -1.39 1.21 0.00 0.00 0.00 0.00 173.10 173.21 1tiq n ALA 88 N -0.50 2.48 -1.08 3.20 0.00 -1.26 -3.66 120.51 119.70 1tiq n ALA 88 Ca 0.05 -0.33 0.09 0.00 0.00 0.00 0.00 53.44 53.25 1tiq n ALA 88 Cb 0.63 -1.01 0.19 0.00 0.00 0.00 0.00 19.45 19.26 1tiq n ALA 88 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tiq n GLU 89 N 0.02 1.96 -4.04 0.00 -0.58 -1.26 -4.88 120.64 111.86 1tiq n GLU 89 Ca 0.08 -2.74 -0.08 0.00 -0.42 0.00 0.00 57.16 54.00 1tiq n GLU 89 Cb 0.17 -1.65 -0.09 0.00 -0.57 0.00 0.00 31.44 29.29 1tiq n GLU 89 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1tiq s SER 90 N -2.51 0.39 -0.02 1.62 1.04 -1.24 -0.54 113.70 112.44 1tiq s SER 90 Ca 0.37 -0.93 0.06 0.00 0.48 0.00 0.00 55.95 55.93 1tiq s SER 90 Cb 0.31 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1tiq s SER 90 CO 0.05 -0.64 -0.19 -0.22 0.98 0.00 0.00 173.24 173.22 1tiq s LEU 91 N -2.91 2.02 -0.07 2.42 0.20 -0.44 -4.31 118.68 115.58 1tiq s LEU 91 Ca 0.07 -0.36 -0.01 0.00 0.69 0.00 0.00 54.13 54.52 1tiq s LEU 91 Cb 0.07 -1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 44.78 1tiq s LEU 91 CO -0.10 0.22 0.00 -0.70 -0.29 0.00 0.00 176.35 175.49 1tiq s GLU 92 N -0.35 2.95 -0.51 1.98 2.12 0.77 -1.74 118.70 123.92 1tiq s GLU 92 Ca 0.05 -0.44 -0.12 0.00 0.36 0.00 0.00 54.97 54.82 1tiq s GLU 92 Cb -0.09 -2.77 0.13 0.00 0.26 0.00 0.00 34.13 31.66 1tiq s GLU 92 CO 0.00 0.69 0.42 0.42 -0.54 0.00 0.00 175.26 176.25 1tiq s ILE 93 N -0.92 4.59 0.07 -3.70 1.01 -0.65 -0.62 121.20 120.98 1tiq s ILE 93 Ca 0.14 -1.74 -0.08 0.00 0.00 0.00 0.00 60.65 58.97 1tiq s ILE 93 Cb -0.11 -3.99 -0.30 0.00 0.01 0.00 0.00 42.46 38.07 1tiq s ILE 93 CO 0.04 -0.82 1.11 -0.08 0.00 0.00 0.00 174.94 175.19 1tiq h GLU 94 N 8.55 0.39 -3.26 2.79 4.81 -1.43 -3.41 114.58 123.01 1tiq h GLU 94 Ca -0.23 -0.62 -0.14 0.00 -0.13 0.00 0.00 59.36 58.24 1tiq h GLU 94 Cb 1.08 0.23 -0.22 0.00 0.63 0.00 0.00 28.75 30.47 1tiq h GLU 94 CO 0.92 1.29 -0.41 1.03 -0.73 0.00 0.00 179.01 181.10 1tiq s ARG 95 N -2.72 0.48 -0.24 1.92 0.52 -1.16 -4.92 118.95 112.83 1tiq s ARG 95 Ca -0.06 -0.12 -0.11 0.00 -0.52 0.00 0.00 55.73 54.92 1tiq s ARG 95 Cb 0.06 0.21 0.09 0.00 0.52 0.00 0.00 34.95 35.84 1tiq s ARG 95 CO 0.90 -0.11 0.55 -1.50 0.02 0.00 0.00 175.30 175.16 1tiq s ILE 96 N -0.93 -0.43 -0.05 1.52 2.07 -1.26 -0.38 121.20 121.74 1tiq s ILE 96 Ca -0.10 0.06 -0.06 0.00 -1.41 0.00 0.00 60.65 59.14 1tiq s ILE 96 Cb -0.05 -0.83 0.01 0.00 0.13 0.00 0.00 42.46 41.72 1tiq s ILE 96 CO 0.02 0.03 0.16 -0.31 -1.91 0.00 0.00 174.94 172.92 1tiq s TYR 97 N 2.16 -0.15 -0.04 3.50 2.02 -0.16 -5.01 117.35 119.67 1tiq s TYR 97 Ca -0.07 0.37 0.02 0.00 -0.37 0.00 0.00 57.07 57.02 1tiq s TYR 97 Cb -0.09 0.05 0.01 0.00 -0.40 0.00 0.00 41.96 41.52 1tiq s TYR 97 CO -0.16 -0.10 -0.09 0.42 -1.57 0.00 0.00 175.55 174.05 1tiq s ILE 98 N -0.05 0.80 0.33 2.71 -1.09 -1.26 -1.32 121.20 121.30 1tiq s ILE 98 Ca -0.01 -0.34 -0.29 0.00 -2.23 0.00 0.00 60.65 57.78 1tiq s ILE 98 Cb -0.02 -0.73 -0.12 0.00 -1.58 0.00 0.00 42.46 40.01 1tiq s ILE 98 CO 0.00 0.26 1.38 0.29 -1.23 0.00 0.00 174.94 175.64 1tiq n LYS 99 N 3.51 2.27 -0.26 2.79 5.02 0.32 -4.70 118.16 127.11 1tiq n LYS 99 Ca -0.20 0.80 0.06 0.00 -2.02 0.00 0.00 58.31 56.95 1tiq n LYS 99 Cb 0.53 -2.44 0.18 0.00 -0.02 0.00 0.00 35.03 33.28 1tiq n LYS 99 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1tiq h ASN 100 N 3.13 -0.22 0.42 4.39 2.35 -1.93 0.63 115.58 124.36 1tiq h ASN 100 Ca -0.47 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1tiq h ASN 100 Cb 1.27 0.30 0.00 0.00 0.05 0.00 0.00 38.32 39.94 1tiq h ASN 100 CO 0.67 -0.15 0.00 -1.54 -1.65 0.00 0.00 177.43 174.76 1tiq n SER 101 N -5.29 0.00 -0.21 5.81 3.41 -1.26 -2.38 113.62 113.71 1tiq n SER 101 Ca 0.15 0.40 0.03 0.00 -0.26 0.00 0.00 58.87 59.19 1tiq n SER 101 Cb 0.50 -0.45 0.02 0.00 -0.26 0.00 0.00 64.21 64.02 1tiq n SER 101 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1tiq n PHE 102 N -1.45 0.00 -1.26 7.33 3.72 0.20 -5.04 117.46 120.96 1tiq n PHE 102 Ca 0.04 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.15 1tiq n PHE 102 Cb 0.15 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 38.84 1tiq n PHE 102 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1tiq s GLN 103 N -0.62 0.97 -1.34 -1.08 -0.21 -0.05 -4.13 119.66 113.20 1tiq s GLN 103 Ca 0.06 0.61 -0.05 0.00 0.02 0.00 0.00 55.36 56.01 1tiq s GLN 103 Cb 0.05 -1.79 0.02 0.00 1.00 0.00 0.00 33.01 32.29 1tiq s GLN 103 CO 0.09 -2.38 0.93 1.63 -2.12 0.00 0.00 175.29 173.43 1tiq n LYS 104 N -3.95 -6.04 0.00 2.91 5.02 -1.26 -4.88 118.16 109.96 1tiq n LYS 104 Ca 0.06 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1tiq n LYS 104 Cb 0.57 -5.55 0.00 0.00 -0.02 0.00 0.00 35.03 30.03 1tiq n LYS 104 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1tiq n HIS 105 N -4.47 0.00 -0.42 2.13 8.25 -1.26 -5.02 115.22 114.43 1tiq n HIS 105 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1tiq n HIS 105 Cb 0.62 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.74 1tiq n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tiq n GLY 106 N 0.00 0.72 0.21 -1.41 0.00 -1.26 -4.95 105.19 98.50 1tiq n GLY 106 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1tiq n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tiq h LEU 107 N 0.00 0.58 -0.62 0.99 3.38 -1.95 -2.25 115.31 115.44 1tiq h LEU 107 Ca 0.00 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1tiq h LEU 107 Cb 0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1tiq h LEU 107 CO 0.00 1.02 0.19 1.23 0.09 0.00 0.00 178.44 180.97 1tiq h GLY 108 N 1.10 1.04 1.43 0.83 0.00 -1.92 -1.41 103.07 104.14 1tiq h GLY 108 Ca 0.01 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 1tiq h GLY 108 CO 0.10 0.58 0.11 1.70 0.00 0.00 0.00 176.54 179.03 1tiq h LYS 109 N 0.89 0.72 -0.44 4.80 3.64 -1.95 -0.84 116.57 123.40 1tiq h LYS 109 Ca 0.20 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1tiq h LYS 109 Cb 0.30 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1tiq h LYS 109 CO -0.01 0.66 0.15 0.45 -2.27 0.00 0.00 179.45 178.44 1tiq h HIS 110 N 0.70 0.69 -0.50 1.91 3.86 -0.82 0.50 115.15 121.48 1tiq h HIS 110 Ca 0.16 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 1tiq h HIS 110 Cb 0.27 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1tiq h HIS 110 CO 0.01 0.62 0.05 -0.07 0.86 0.00 0.00 177.93 179.40 1tiq h LEU 111 N 0.56 0.83 -0.68 2.43 3.38 -0.83 -1.79 115.31 119.20 1tiq h LEU 111 Ca 0.14 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1tiq h LEU 111 Cb 0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1tiq h LEU 111 CO -0.01 0.90 0.05 0.25 0.09 0.00 0.00 178.44 179.73 1tiq h LEU 112 N 0.73 1.04 -1.44 1.67 6.46 -0.97 -2.07 115.31 120.73 1tiq h LEU 112 Ca 0.15 -0.27 -0.04 0.00 -0.12 0.00 0.00 57.88 57.60 1tiq h LEU 112 Cb 0.45 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1tiq h LEU 112 CO 0.02 1.06 -0.06 0.78 -0.62 0.00 0.00 178.44 179.61 1tiq h ASN 113 N 0.99 0.27 -0.58 1.25 2.35 -0.70 -0.83 115.58 118.34 1tiq h ASN 113 Ca 0.19 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1tiq h ASN 113 Cb 0.49 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1tiq h ASN 113 CO 0.02 0.38 0.19 0.50 -1.65 0.00 0.00 177.43 176.87 1tiq h LYS 114 N 0.28 0.89 -0.70 0.81 1.63 -0.69 -0.01 116.57 118.78 1tiq h LYS 114 Ca 0.06 -0.19 -0.05 0.00 -0.85 0.00 0.00 60.65 59.62 1tiq h LYS 114 Cb 0.30 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 1tiq h LYS 114 CO 0.01 0.80 0.23 0.00 -3.45 0.00 0.00 179.45 177.04 1tiq h ALA 115 N 1.05 0.91 -0.64 5.00 0.00 -0.63 -1.88 119.26 123.07 1tiq h ALA 115 Ca 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1tiq h ALA 115 Cb 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1tiq h ALA 115 CO -0.01 0.58 0.24 0.82 0.00 0.00 0.00 179.25 180.88 1tiq h ILE 116 N 1.02 1.24 -0.34 0.00 2.04 -0.84 -0.67 117.51 119.96 1tiq h ILE 116 Ca 0.23 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.36 1tiq h ILE 116 Cb 0.28 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1tiq h ILE 116 CO -0.01 0.30 0.12 -0.08 0.00 0.00 0.00 178.15 178.48 1tiq h GLU 117 N 0.90 0.26 -0.31 2.37 4.81 -0.59 0.15 114.58 122.17 1tiq h GLU 117 Ca 0.21 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1tiq h GLU 117 Cb 0.23 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1tiq h GLU 117 CO -0.01 0.17 0.16 0.82 -0.73 0.00 0.00 179.01 179.42 1tiq h ILE 118 N 0.26 1.14 -0.12 2.32 2.04 -1.14 0.11 117.51 122.13 1tiq h ILE 118 Ca 0.15 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1tiq h ILE 118 Cb 0.12 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1tiq h ILE 118 CO -0.15 0.14 -0.14 0.00 0.00 0.00 0.00 178.15 178.00 1tiq h ALA 119 N 1.03 -0.06 -0.90 1.87 0.00 -0.49 0.21 119.26 120.92 1tiq h ALA 119 Ca 0.11 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1tiq h ALA 119 Cb 0.08 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1tiq h ALA 119 CO -0.02 -0.59 0.60 -0.07 0.00 0.00 0.00 179.25 179.17 1tiq h LEU 120 N -0.17 1.03 -0.89 0.00 3.38 -0.43 0.06 115.31 118.28 1tiq h LEU 120 Ca 0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1tiq h LEU 120 Cb 0.30 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1tiq h LEU 120 CO -0.23 0.74 0.35 -0.33 0.09 0.00 0.00 178.44 179.06 1tiq h GLU 121 N 1.21 1.16 -0.02 1.13 5.08 0.05 -1.36 114.58 121.83 1tiq h GLU 121 Ca 0.34 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1tiq h GLU 121 Cb -0.12 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 28.93 1tiq h GLU 121 CO -0.08 0.91 0.00 0.54 -1.00 0.00 0.00 179.01 179.38 1tiq n ARG 122 N -4.30 1.10 -2.52 2.33 5.12 0.67 -4.89 116.66 114.17 1tiq n ARG 122 Ca 0.08 -0.14 -0.20 0.00 -1.93 0.00 0.00 57.85 55.66 1tiq n ARG 122 Cb 0.16 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 1tiq n ARG 122 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1tiq n ASN 123 N -0.71 -5.62 -4.77 0.55 3.02 -0.51 -4.97 115.26 102.26 1tiq n ASN 123 Ca 0.17 -0.08 -0.39 0.00 -0.03 0.00 0.00 54.58 54.25 1tiq n ASN 123 Cb 0.11 -4.60 -0.04 0.00 -0.61 0.00 0.00 39.78 34.64 1tiq n ASN 123 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1tiq s LYS 124 N -5.13 4.49 0.02 3.52 -0.14 -0.07 -4.96 119.74 117.46 1tiq s LYS 124 Ca 0.07 1.64 0.09 0.00 -1.36 0.00 0.00 55.97 56.42 1tiq s LYS 124 Cb -0.03 -2.94 -0.22 0.00 -1.68 0.00 0.00 37.83 32.95 1tiq s LYS 124 CO 0.09 0.12 0.92 0.87 -0.76 0.00 0.00 175.35 176.59 1tiq h LYS 125 N 3.34 0.01 -4.41 1.68 1.79 -1.08 -3.42 116.57 114.48 1tiq h LYS 125 Ca -0.47 -0.03 -0.24 0.00 -2.18 0.00 0.00 60.65 57.73 1tiq h LYS 125 Cb 1.21 0.01 -0.21 0.00 -1.58 0.00 0.00 32.23 31.66 1tiq h LYS 125 CO 0.65 0.73 -0.72 -0.80 -1.08 0.00 0.00 179.45 178.23 1tiq s ASN 126 N -6.39 0.70 -0.05 0.86 -0.87 -0.99 -0.11 114.94 108.09 1tiq s ASN 126 Ca -0.03 -0.57 0.05 0.00 -1.57 0.00 0.00 52.86 50.74 1tiq s ASN 126 Cb 0.09 0.06 -0.00 0.00 -0.02 0.00 0.00 41.25 41.37 1tiq s ASN 126 CO 0.82 -0.25 -0.19 -0.51 -2.57 0.00 0.00 177.10 174.40 1tiq s ILE 127 N -1.58 1.56 0.32 0.60 2.07 -0.52 -1.33 121.20 122.32 1tiq s ILE 127 Ca -0.10 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.36 1tiq s ILE 127 Cb -0.09 -1.34 -0.01 0.00 0.13 0.00 0.00 42.46 41.15 1tiq s ILE 127 CO -0.00 0.45 0.37 -1.66 -1.91 0.00 0.00 174.94 172.18 1tiq s TRP 128 N 0.00 1.28 -0.03 3.50 1.48 -0.71 -0.73 118.94 123.73 1tiq s TRP 128 Ca -0.04 -1.40 -0.30 0.00 -1.06 0.00 0.00 56.10 53.30 1tiq s TRP 128 Cb -0.12 -0.34 0.11 0.00 -1.16 0.00 0.00 33.47 31.96 1tiq s TRP 128 CO 0.03 -0.98 0.93 -0.48 -4.06 0.00 0.00 176.95 172.38 1tiq s LEU 129 N -3.26 -0.33 -0.17 -4.66 0.05 -1.26 -1.63 118.68 107.41 1tiq s LEU 129 Ca 0.35 -0.00 -0.01 0.00 0.05 0.00 0.00 54.13 54.51 1tiq s LEU 129 Cb 0.01 1.94 -0.00 0.00 -2.05 0.00 0.00 46.19 46.09 1tiq s LEU 129 CO 0.21 -0.57 -0.13 -0.83 -0.55 0.00 0.00 176.35 174.48 1tiq s GLY 130 N -2.45 1.50 -0.07 -3.48 0.00 -1.26 -4.45 107.32 97.11 1tiq s GLY 130 Ca 0.06 -1.08 0.04 0.00 0.00 0.00 0.00 44.72 43.74 1tiq s GLY 130 CO -0.08 0.13 -0.21 0.54 0.00 0.00 0.00 173.10 173.48 1tiq s VAL 131 N 0.98 1.80 0.10 1.40 0.11 -0.41 -4.89 120.40 119.49 1tiq s VAL 131 Ca -0.02 -0.89 -0.35 0.00 -2.93 0.00 0.00 61.98 57.79 1tiq s VAL 131 Cb -0.15 -1.55 -0.15 0.00 -1.53 0.00 0.00 36.38 33.00 1tiq s VAL 131 CO -0.02 0.50 1.48 1.87 -3.33 0.00 0.00 175.10 175.60 1tiq n TRP 132 N 3.38 1.90 0.33 1.54 -0.00 -1.26 -0.14 117.44 123.18 1tiq n TRP 132 Ca -0.19 0.45 0.21 0.00 -0.00 0.00 0.00 57.50 57.96 1tiq n TRP 132 Cb 0.53 -2.44 1.10 0.00 -0.00 0.00 0.00 31.31 30.50 1tiq n TRP 132 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.69 178.74 1tiq h GLU 133 N 5.44 0.00 0.00 5.87 4.11 -1.48 -0.46 114.58 128.07 1tiq h GLU 133 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1tiq h GLU 133 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1tiq h GLU 133 CO 0.84 0.00 -0.47 1.63 0.07 0.00 0.00 179.01 181.08 1tiq n LYS 134 N -3.18 0.20 -2.00 1.06 5.02 -1.26 -4.46 118.16 113.54 1tiq n LYS 134 Ca -0.03 0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 1tiq n LYS 134 Cb 0.14 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1tiq n LYS 134 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1tiq n ASN 135 N -1.95 4.40 -0.04 4.39 4.05 -0.18 -4.76 115.26 121.15 1tiq n ASN 135 Ca 0.04 -2.95 0.09 0.00 0.45 0.00 0.00 54.58 52.21 1tiq n ASN 135 Cb 0.41 -1.59 0.48 0.00 1.23 0.00 0.00 39.78 40.32 1tiq n ASN 135 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1tiq h GLU 136 N 5.93 0.42 -0.43 1.20 4.39 -1.82 -2.32 114.58 121.95 1tiq h GLU 136 Ca 0.49 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 60.12 1tiq h GLU 136 Cb 0.64 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1tiq h GLU 136 CO 1.77 0.28 0.07 -0.91 -1.16 0.00 0.00 179.01 179.06 1tiq h ASN 137 N 0.43 0.68 -0.36 1.42 2.35 -1.97 -2.01 115.58 116.12 1tiq h ASN 137 Ca 0.23 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1tiq h ASN 137 Cb 0.34 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1tiq h ASN 137 CO -0.06 0.76 -0.01 0.00 -1.65 0.00 0.00 177.43 176.48 1tiq h ALA 138 N 0.94 0.49 -0.34 -0.83 0.00 -1.85 -2.54 119.26 115.12 1tiq h ALA 138 Ca 0.13 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1tiq h ALA 138 Cb 0.37 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1tiq h ALA 138 CO 0.01 0.26 0.12 0.82 0.00 0.00 0.00 179.25 180.46 1tiq h ILE 139 N 0.45 0.91 -0.95 0.00 2.04 -1.38 -0.50 117.51 118.09 1tiq h ILE 139 Ca 0.10 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1tiq h ILE 139 Cb 0.47 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1tiq h ILE 139 CO 0.02 0.05 0.63 0.00 0.00 0.00 0.00 178.15 178.84 1tiq h ALA 140 N 1.21 1.34 0.08 1.87 0.00 -1.30 -0.01 119.26 122.45 1tiq h ALA 140 Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1tiq h ALA 140 Cb 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1tiq h ALA 140 CO -0.15 0.60 -0.04 0.35 0.00 0.00 0.00 179.25 180.01 1tiq h PHE 141 N 1.26 -0.10 -0.70 0.00 3.57 -0.92 -1.46 116.94 118.59 1tiq h PHE 141 Ca 0.35 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.80 1tiq h PHE 141 Cb -0.11 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1tiq h PHE 141 CO -0.00 0.02 0.24 1.88 -2.23 0.00 0.00 178.31 178.23 1tiq h TYR 142 N -0.20 1.08 -0.61 0.41 0.05 -0.74 -2.62 116.97 114.34 1tiq h TYR 142 Ca -0.01 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.65 1tiq h TYR 142 Cb 0.16 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 1tiq h TYR 142 CO -0.04 0.85 0.26 0.87 -1.05 0.00 0.00 178.16 179.04 1tiq h LYS 143 N 1.03 0.90 -1.96 4.88 1.57 -0.87 -0.26 116.57 121.85 1tiq h LYS 143 Ca 0.23 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1tiq h LYS 143 Cb 0.25 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1tiq h LYS 143 CO -0.01 0.75 0.00 1.17 -0.57 0.00 0.00 179.45 180.79 1tiq n LYS 144 N -4.48 0.30 0.00 3.15 3.00 -0.56 -3.99 118.16 115.58 1tiq n LYS 144 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1tiq n LYS 144 Cb 0.15 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 33.83 1tiq n LYS 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1tiq n GLY 146 N 1.73 0.04 3.84 3.14 0.00 -0.95 -5.10 105.19 107.89 1tiq n GLY 146 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1tiq n GLY 146 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tiq s PHE 147 N -0.30 3.45 0.06 1.61 0.08 -0.15 -4.76 117.98 117.97 1tiq s PHE 147 Ca 0.00 1.25 0.05 0.00 0.12 0.00 0.00 56.93 58.35 1tiq s PHE 147 Cb 0.00 -2.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.88 1tiq s PHE 147 CO 0.00 0.17 -0.14 0.14 -0.10 0.00 0.00 175.22 175.29 1tiq s VAL 148 N -1.85 1.10 -0.04 -0.44 -7.23 -0.67 -4.22 120.40 107.06 1tiq s VAL 148 Ca 0.51 -1.15 -0.30 0.00 -1.81 0.00 0.00 61.98 59.23 1tiq s VAL 148 Cb -0.12 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 1tiq s VAL 148 CO 0.18 -0.12 1.15 -1.58 -0.31 0.00 0.00 175.10 174.43 1tiq s GLN 149 N -1.44 4.39 -0.01 4.82 0.74 -1.26 -0.75 119.66 126.15 1tiq s GLN 149 Ca -0.00 1.62 0.12 0.00 0.05 0.00 0.00 55.36 57.15 1tiq s GLN 149 Cb -0.09 -3.51 -0.18 0.00 1.10 0.00 0.00 33.01 30.33 1tiq s GLN 149 CO 0.02 -0.36 0.34 0.25 -0.55 0.00 0.00 175.29 174.98 1tiq n THR 150 N 4.43 0.00 -3.39 -0.34 -2.24 0.82 -4.97 114.28 108.59 1tiq n THR 150 Ca 0.10 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1tiq n THR 150 Cb 0.47 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1tiq n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tiq n GLY 151 N 1.66 0.89 3.25 3.38 0.00 -1.16 -5.01 105.19 108.19 1tiq n GLY 151 Ca -0.01 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 1tiq n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tiq s ALA 152 N -1.00 -0.81 -0.14 4.61 0.00 -1.26 -0.62 121.76 122.54 1tiq s ALA 152 Ca 0.00 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 52.27 1tiq s ALA 152 Cb 0.00 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.21 1tiq s ALA 152 CO 0.00 -0.26 0.33 -1.58 0.00 0.00 0.00 175.76 174.26 1tiq s HIS 153 N -1.24 -0.46 0.59 0.00 2.46 0.36 -4.91 115.29 112.08 1tiq s HIS 153 Ca -0.13 1.03 -0.14 0.00 0.47 0.00 0.00 55.06 56.29 1tiq s HIS 153 Cb -0.05 0.16 -0.05 0.00 -0.13 0.00 0.00 32.58 32.51 1tiq s HIS 153 CO 0.04 -0.28 1.02 -1.12 -2.47 0.00 0.00 174.74 171.94 1tiq s SER 154 N 1.17 6.16 0.14 9.88 0.01 -1.26 -0.56 113.70 129.24 1tiq s SER 154 Ca -0.08 1.59 -0.14 0.00 1.31 0.00 0.00 55.95 58.63 1tiq s SER 154 Cb -0.08 -2.50 0.02 0.00 0.21 0.00 0.00 66.02 63.66 1tiq s SER 154 CO -0.09 -0.91 0.36 0.72 0.41 0.00 0.00 173.24 173.73 1tiq s PHE 155 N -2.80 -0.02 0.00 2.43 -0.71 0.12 -4.87 117.98 112.13 1tiq s PHE 155 Ca 0.59 -0.34 0.00 0.00 -1.04 0.00 0.00 56.93 56.14 1tiq s PHE 155 Cb -0.12 0.17 0.00 0.00 -1.21 0.00 0.00 43.02 41.86 1tiq s PHE 155 CO 0.42 -0.72 0.00 0.66 -1.34 0.00 0.00 175.22 174.25 1tiq n TYR 156 N -0.21 -1.19 0.00 3.49 4.01 -1.26 0.94 117.16 122.93 1tiq n TYR 156 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1tiq n TYR 156 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 1tiq n TYR 156 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tiq n GLY 158 N 5.00 0.00 0.04 2.72 0.00 -1.26 -4.94 105.19 106.75 1tiq n GLY 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1tiq n GLY 158 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tiq n ASP 159 N 0.00 1.57 -4.56 1.61 3.85 -1.26 -4.98 116.55 112.78 1tiq n ASP 159 Ca 0.00 -1.53 -0.38 0.00 -0.71 0.00 0.00 54.79 52.18 1tiq n ASP 159 Cb 0.00 -0.01 -0.11 0.00 -1.35 0.00 0.00 41.12 39.65 1tiq n ASP 159 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1tiq s GLU 160 N -0.54 3.88 0.12 0.11 2.56 -1.26 -5.07 118.70 118.50 1tiq s GLU 160 Ca 0.01 -0.36 -0.30 0.00 0.00 0.00 0.00 54.97 54.32 1tiq s GLU 160 Cb 0.01 -3.58 -0.06 0.00 2.00 0.00 0.00 34.13 32.49 1tiq s GLU 160 CO 0.01 -0.18 1.09 -2.00 -0.56 0.00 0.00 175.26 173.62 1tiq s GLU 161 N 1.73 4.56 0.39 4.30 2.12 -1.26 -4.52 118.70 126.01 1tiq s GLU 161 Ca 0.07 1.66 0.04 0.00 0.36 0.00 0.00 54.97 57.10 1tiq s GLU 161 Cb -0.16 -3.33 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 1tiq s GLU 161 CO 0.09 -0.00 0.05 -0.65 -0.54 0.00 0.00 175.26 174.21 1tiq s GLN 162 N 0.20 1.85 -0.09 4.30 -1.52 0.27 -4.97 119.66 119.70 1tiq s GLN 162 Ca 0.52 -2.07 0.04 0.00 -1.95 0.00 0.00 55.36 51.90 1tiq s GLN 162 Cb -0.28 -1.14 -0.01 0.00 -0.22 0.00 0.00 33.01 31.37 1tiq s GLN 162 CO 0.32 -0.21 -0.23 0.99 -0.25 0.00 0.00 175.29 175.91 1tiq s THR 163 N -3.06 2.20 -0.10 -0.19 2.01 -1.26 -0.70 115.64 114.54 1tiq s THR 163 Ca 0.30 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1tiq s THR 163 Cb 0.07 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 1tiq s THR 163 CO 0.14 0.56 -0.10 -0.62 -0.69 0.00 0.00 174.62 173.92 1tiq s ASP 164 N 0.13 4.36 -0.08 3.53 2.15 0.28 -1.15 116.67 125.90 1tiq s ASP 164 Ca -0.12 -0.16 -0.19 0.00 0.43 0.00 0.00 52.55 52.51 1tiq s ASP 164 Cb -0.16 -1.33 -0.04 0.00 -0.30 0.00 0.00 42.92 41.09 1tiq s ASP 164 CO 0.07 0.27 0.52 -0.76 -0.17 0.00 0.00 175.17 175.10 1tiq s LEU 165 N -0.27 4.32 0.47 -1.34 1.43 0.80 -0.49 118.68 123.61 1tiq s LEU 165 Ca 0.03 0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 1tiq s LEU 165 Cb -0.13 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 1tiq s LEU 165 CO 0.03 0.03 0.72 -0.63 0.23 0.00 0.00 176.35 176.73 1tiq s ILE 166 N 0.35 4.24 0.00 -0.59 -1.09 0.21 -1.28 121.20 123.04 1tiq s ILE 166 Ca 0.28 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 1tiq s ILE 166 Cb -0.16 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1tiq s ILE 166 CO 0.13 -0.48 0.00 0.00 -1.23 0.00 0.00 174.94 173.36 1tiq n ALA 168 N -2.18 0.00 -3.69 9.38 0.00 0.07 -0.13 120.51 123.97 1tiq n ALA 168 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 1tiq n ALA 168 Cb 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 1tiq n ALA 168 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1tiq s LYS 169 N -2.00 0.37 -0.01 0.00 2.20 0.09 -1.66 119.74 118.73 1tiq s LYS 169 Ca 0.00 0.75 -0.27 0.00 -0.36 0.00 0.00 55.97 56.10 1tiq s LYS 169 Cb 0.00 -0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.25 1tiq s LYS 169 CO 0.00 -0.16 0.83 0.99 -0.36 0.00 0.00 175.35 176.65 1tiq s THR 170 N 1.36 4.88 0.00 3.43 2.01 -1.26 -1.44 115.64 124.62 1tiq s THR 170 Ca -0.09 1.75 0.00 0.00 0.31 0.00 0.00 61.69 63.65 1tiq s THR 170 Cb -0.09 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.25 1tiq s THR 170 CO -0.12 0.25 0.00 0.18 -0.69 0.00 0.00 174.62 174.24 1tiq n LEU 171 N 3.55 0.00 -4.65 4.42 4.77 0.84 -4.98 117.00 120.95 1tiq n LEU 171 Ca 0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.57 1tiq n LEU 171 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1tiq n LEU 171 CO 0.49 0.00 0.89 -0.63 -1.33 0.00 0.00 177.39 176.81 1tiq s ILE 172 N 3.69 4.63 -0.01 -0.08 1.01 -1.26 -4.90 121.20 124.28 1tiq s ILE 172 Ca 0.00 1.81 0.11 0.00 0.00 0.00 0.00 60.65 62.57 1tiq s ILE 172 Cb 0.00 -4.33 -0.23 0.00 0.01 0.00 0.00 42.46 37.92 1tiq s ILE 172 CO 0.00 -0.30 0.80 -0.07 0.00 0.00 0.00 174.94 175.36 1tiq h LEU 173 N 9.70 0.00 -7.03 2.97 3.38 -1.92 -3.43 115.31 118.98 1tiq h LEU 173 Ca -0.20 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1tiq h LEU 173 Cb 1.07 -0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.60 1tiq h LEU 173 CO 0.99 1.00 -0.01 -0.70 0.09 0.00 0.00 178.44 179.80 1tiq s GLU 174 N -2.62 0.68 0.30 1.13 2.12 -1.26 -5.09 118.70 113.96 1tiq s GLU 174 Ca -0.03 1.14 -0.28 0.00 0.36 0.00 0.00 54.97 56.15 1tiq s GLU 174 Cb 0.08 0.15 -0.09 0.00 0.26 0.00 0.00 34.13 34.53 1tiq s GLU 174 CO 0.82 -0.14 1.02 -1.01 -0.54 0.00 0.00 175.26 175.41 1tiq s HIS 175 N 1.45 3.66 -0.06 5.30 3.76 -1.26 -4.96 115.29 123.18 1tiq s HIS 175 Ca -0.09 1.77 0.23 0.00 -0.15 0.00 0.00 55.06 56.82 1tiq s HIS 175 Cb -0.05 -3.10 0.65 0.00 1.11 0.00 0.00 32.58 31.18 1tiq s HIS 175 CO -0.16 -0.14 1.71 0.45 -0.85 0.00 0.00 174.74 175.74 1tiq h HIS 176 N 3.54 0.00 -0.00 1.40 -0.00 -2.04 -3.55 115.15 114.49 1tiq h HIS 176 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1tiq h HIS 176 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 1tiq h HIS 176 CO 0.60 0.22 0.00 0.72 -0.00 0.00 0.00 177.93 179.47