#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tiy h HIS 3 N 0.00 0.41 -0.22 -2.53 3.86 -2.05 -0.30 115.15 114.32 1tiy h HIS 3 Ca 0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1tiy h HIS 3 Cb 0.00 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1tiy h HIS 3 CO 0.00 -0.04 0.08 0.93 0.86 0.00 0.00 177.93 179.76 1tiy h GLU 4 N 0.17 0.32 -0.68 2.45 3.07 -2.04 -0.88 114.58 116.99 1tiy h GLU 4 Ca 0.69 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.49 1tiy h GLU 4 Cb 2.20 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 30.03 1tiy h GLU 4 CO -0.25 0.39 0.44 0.00 -1.40 0.00 0.00 179.01 178.19 1tiy h THR 5 N 0.19 1.18 -0.21 1.13 1.03 -1.48 0.62 112.91 115.37 1tiy h THR 5 Ca 0.07 -0.34 -0.05 0.00 -0.01 0.00 0.00 66.41 66.08 1tiy h THR 5 Cb 0.19 0.20 -0.01 0.00 -1.07 0.00 0.00 68.15 67.46 1tiy h THR 5 CO -0.01 0.17 -0.06 -0.26 -0.01 0.00 0.00 175.52 175.36 1tiy h PHE 6 N 0.92 0.47 -0.42 0.00 0.04 -1.43 -0.14 116.94 116.37 1tiy h PHE 6 Ca 0.25 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 1tiy h PHE 6 Cb -0.09 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 1tiy h PHE 6 CO -0.02 0.67 0.12 1.25 -0.60 0.00 0.00 178.31 179.72 1tiy h LEU 7 N 0.13 0.57 -0.76 1.54 5.85 -0.90 -1.00 115.31 120.75 1tiy h LEU 7 Ca 0.05 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1tiy h LEU 7 Cb 0.53 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1tiy h LEU 7 CO 0.02 0.56 0.30 0.50 -0.34 0.00 0.00 178.44 179.49 1tiy h LYS 8 N 0.61 1.14 -0.10 1.25 3.64 0.64 -1.81 116.57 121.94 1tiy h LYS 8 Ca 0.14 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1tiy h LYS 8 Cb 0.21 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1tiy h LYS 8 CO -0.01 0.93 -0.09 -0.09 -2.27 0.00 0.00 179.45 177.92 1tiy h ARG 9 N 1.10 0.15 -0.24 1.90 9.65 0.25 -1.32 114.38 125.87 1tiy h ARG 9 Ca 0.25 -0.02 -0.20 0.00 -1.10 0.00 0.00 59.98 58.91 1tiy h ARG 9 Cb 0.21 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1tiy h ARG 9 CO -0.02 0.25 -0.64 0.00 2.80 0.00 0.00 179.97 182.35 1tiy h ALA 10 N 1.77 0.40 -0.18 2.80 0.00 -0.51 -1.47 119.26 122.08 1tiy h ALA 10 Ca 0.03 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 1tiy h ALA 10 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1tiy h ALA 10 CO 0.01 0.68 -0.48 0.28 0.00 0.00 0.00 179.25 179.74 1tiy h VAL 11 N 0.63 1.32 -0.58 0.00 2.07 -1.10 -2.06 116.25 116.53 1tiy h VAL 11 Ca -0.01 -1.70 -0.07 0.00 0.82 0.00 0.00 66.70 65.74 1tiy h VAL 11 Cb 1.26 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 1tiy h VAL 11 CO 0.14 0.52 0.09 0.74 0.02 0.00 0.00 177.57 179.08 1tiy h THR 12 N 0.38 1.26 -0.55 2.57 2.02 -1.17 -2.16 112.91 115.26 1tiy h THR 12 Ca 0.02 -0.99 0.02 0.00 0.77 0.00 0.00 66.41 66.23 1tiy h THR 12 Cb 0.99 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1tiy h THR 12 CO 0.09 0.36 0.34 -0.07 0.37 0.00 0.00 175.52 176.61 1tiy h LEU 13 N 0.86 0.57 -0.65 2.58 3.38 -1.01 -0.82 115.31 120.22 1tiy h LEU 13 Ca 0.18 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1tiy h LEU 13 Cb 0.42 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1tiy h LEU 13 CO 0.01 0.41 0.40 0.00 0.09 0.00 0.00 178.44 179.35 1tiy h ALA 14 N 1.23 0.84 -0.28 1.53 0.00 -1.09 0.18 119.26 121.66 1tiy h ALA 14 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1tiy h ALA 14 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1tiy h ALA 14 CO -0.08 0.16 0.06 0.00 0.00 0.00 0.00 179.25 179.39 1tiy h GLU 16 N 0.28 0.25 -0.50 0.00 5.08 -0.88 -1.17 114.58 117.65 1tiy h GLU 16 Ca 0.09 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1tiy h GLU 16 Cb 0.30 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1tiy h GLU 16 CO 0.00 0.39 0.05 0.78 -1.00 0.00 0.00 179.01 179.23 1tiy h GLY 17 N 0.75 0.92 0.53 -3.84 0.00 -0.25 -2.15 103.07 99.03 1tiy h GLY 17 Ca 0.05 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1tiy h GLY 17 CO 0.02 0.59 -0.26 -2.08 0.00 0.00 0.00 176.54 174.81 1tiy h VAL 18 N 0.72 0.00 0.00 4.60 2.07 -0.64 -1.91 116.25 121.09 1tiy h VAL 18 Ca 0.15 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1tiy h VAL 18 Cb 0.45 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1tiy h VAL 18 CO 0.02 0.00 0.29 0.78 0.02 0.00 0.00 177.57 178.68 1tiy h ASN 19 N -0.96 0.00 -0.02 0.57 2.35 -1.29 0.42 115.58 116.65 1tiy h ASN 19 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1tiy h ASN 19 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1tiy h ASN 19 CO 0.12 0.00 -0.03 0.00 -1.65 0.00 0.00 177.43 175.87 1tiy n ALA 20 N -1.91 2.57 -1.94 -0.83 0.00 -0.81 -4.96 120.51 112.63 1tiy n ALA 20 Ca -0.02 -0.62 -0.16 0.00 0.00 0.00 0.00 53.44 52.64 1tiy n ALA 20 Cb 0.34 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 1tiy n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tiy n GLY 21 N 1.31 0.53 0.13 0.00 0.00 0.15 -4.89 105.19 102.42 1tiy n GLY 21 Ca 0.15 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.03 1tiy n GLY 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1tiy h ILE 22 N 0.00 0.13 0.00 -0.61 3.07 -1.55 -3.45 117.51 115.09 1tiy h ILE 22 Ca -0.36 -1.23 0.00 0.00 1.55 0.00 0.00 64.86 64.82 1tiy h ILE 22 Cb 1.18 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 39.46 1tiy h ILE 22 CO 0.46 0.07 0.00 0.61 -1.05 0.00 0.00 178.15 178.25 1tiy n GLY 23 N 1.20 -0.58 3.85 0.16 0.00 -1.20 -4.01 105.19 104.62 1tiy n GLY 23 Ca -0.01 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 1tiy n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tiy s GLY 24 N 0.00 1.62 -0.01 -0.02 0.00 -1.10 -4.19 107.32 103.62 1tiy s GLY 24 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 44.72 43.96 1tiy s GLY 24 CO 0.00 -0.14 2.02 -1.55 0.00 0.00 0.00 173.10 173.43 1tiy n PRO 25 N -3.64 0.98 -4.18 2.90 -0.04 -1.26 -4.40 135.00 125.36 1tiy n PRO 25 Ca 0.09 -0.50 -0.19 0.00 -0.04 0.00 0.00 63.50 62.87 1tiy n PRO 25 Cb 0.60 -1.75 -0.16 0.00 -0.04 0.00 0.00 33.50 32.15 1tiy n PRO 25 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1tiy s PHE 26 N 2.04 0.66 0.07 0.54 0.08 -1.26 -4.90 117.98 115.21 1tiy s PHE 26 Ca 0.33 -0.15 0.01 0.00 0.12 0.00 0.00 56.93 57.23 1tiy s PHE 26 Cb 0.16 -0.54 -0.04 0.00 -0.57 0.00 0.00 43.02 42.03 1tiy s PHE 26 CO -0.00 -0.12 -0.05 0.20 -0.10 0.00 0.00 175.22 175.15 1tiy s GLY 27 N 0.53 0.61 0.06 4.36 0.00 -1.26 -1.49 107.32 110.13 1tiy s GLY 27 Ca -0.07 -1.20 -0.16 0.00 0.00 0.00 0.00 44.72 43.30 1tiy s GLY 27 CO -0.00 -1.30 0.36 0.00 0.00 0.00 0.00 173.10 172.16 1tiy s ALA 28 N -3.34 -0.82 -0.00 3.20 0.00 0.28 -1.16 121.76 119.91 1tiy s ALA 28 Ca 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 1tiy s ALA 28 Cb 0.04 0.40 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 1tiy s ALA 28 CO -0.06 -0.47 0.02 0.08 0.00 0.00 0.00 175.76 175.34 1tiy s VAL 29 N -2.78 0.04 -0.11 0.00 1.01 0.11 -1.11 120.40 117.56 1tiy s VAL 29 Ca -0.03 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1tiy s VAL 29 Cb -0.00 -0.14 0.02 0.00 0.00 0.00 0.00 36.38 36.26 1tiy s VAL 29 CO -0.05 -0.16 -0.14 -0.63 0.00 0.00 0.00 175.10 174.12 1tiy s ILE 30 N -0.48 1.43 0.09 2.22 1.01 -0.84 0.55 121.20 125.19 1tiy s ILE 30 Ca -0.05 -0.59 0.10 0.00 0.00 0.00 0.00 60.65 60.10 1tiy s ILE 30 Cb -0.03 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1tiy s ILE 30 CO -0.00 0.43 -0.26 0.68 0.00 0.00 0.00 174.94 175.79 1tiy s VAL 31 N 1.09 2.13 -0.03 2.92 -7.23 -0.22 -0.65 120.40 118.40 1tiy s VAL 31 Ca -0.05 -1.58 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1tiy s VAL 31 Cb -0.14 -1.86 0.03 0.00 0.56 0.00 0.00 36.38 34.96 1tiy s VAL 31 CO -0.03 0.17 0.04 -0.75 -0.31 0.00 0.00 175.10 174.23 1tiy s LYS 32 N -1.72 0.01 -1.31 4.82 2.20 -0.20 -1.37 119.74 122.17 1tiy s LYS 32 Ca 0.12 0.27 -0.06 0.00 -0.36 0.00 0.00 55.97 55.95 1tiy s LYS 32 Cb -0.10 -0.45 0.01 0.00 -1.51 0.00 0.00 37.83 35.78 1tiy s LYS 32 CO 0.04 -0.26 1.10 -0.25 -0.36 0.00 0.00 175.35 175.63 1tiy n ASP 33 N 4.83 -4.77 -0.75 1.43 10.43 -1.26 -1.54 116.55 124.92 1tiy n ASP 33 Ca -0.13 -0.59 -0.10 0.00 2.57 0.00 0.00 54.79 56.54 1tiy n ASP 33 Cb 0.50 -4.99 -0.04 0.00 1.84 0.00 0.00 41.12 38.43 1tiy n ASP 33 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1tiy n GLY 34 N -1.70 0.98 3.43 0.44 0.00 -1.26 -4.98 105.19 102.10 1tiy n GLY 34 Ca -0.09 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1tiy n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tiy s ALA 35 N -1.95 2.66 -0.75 4.61 0.00 -0.59 -5.05 121.76 120.69 1tiy s ALA 35 Ca 0.00 -0.93 -0.26 0.00 0.00 0.00 0.00 51.96 50.76 1tiy s ALA 35 Cb 0.00 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1tiy s ALA 35 CO 0.00 0.42 1.40 0.42 0.00 0.00 0.00 175.76 178.00 1tiy s ILE 36 N -0.24 3.68 -0.63 0.00 1.01 -1.26 -1.03 121.20 122.72 1tiy s ILE 36 Ca 0.01 0.24 0.26 0.00 0.00 0.00 0.00 60.65 61.16 1tiy s ILE 36 Cb -0.13 -4.76 0.29 0.00 0.01 0.00 0.00 42.46 37.87 1tiy s ILE 36 CO 0.03 -1.70 1.76 0.40 0.00 0.00 0.00 174.94 175.42 1tiy h ILE 37 N 6.27 0.00 -1.85 2.92 5.03 -1.23 -3.47 117.51 125.19 1tiy h ILE 37 Ca -0.22 -0.49 0.08 0.00 -0.12 0.00 0.00 64.86 64.11 1tiy h ILE 37 Cb 1.06 1.44 -0.20 0.00 -3.03 0.00 0.00 36.82 36.10 1tiy h ILE 37 CO 1.28 0.00 0.50 0.00 -0.68 0.00 0.00 178.15 179.25 1tiy s ALA 38 N -3.17 -1.88 -0.03 1.87 0.00 -1.15 -4.46 121.76 112.94 1tiy s ALA 38 Ca 0.09 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1tiy s ALA 38 Cb 0.11 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1tiy s ALA 38 CO 0.57 -0.45 0.01 -1.21 0.00 0.00 0.00 175.76 174.68 1tiy s GLU 39 N -1.81 0.23 0.09 0.00 2.02 -1.26 -1.99 118.70 115.97 1tiy s GLU 39 Ca -0.00 0.12 0.06 0.00 0.02 0.00 0.00 54.97 55.18 1tiy s GLU 39 Cb -0.01 -0.48 -0.03 0.00 0.10 0.00 0.00 34.13 33.71 1tiy s GLU 39 CO -0.01 -0.17 -0.17 0.20 0.02 0.00 0.00 175.26 175.13 1tiy s GLY 40 N 1.20 1.03 0.04 -1.39 0.00 -0.27 -4.68 107.32 103.25 1tiy s GLY 40 Ca -0.07 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.55 1tiy s GLY 40 CO -0.02 -1.15 -0.08 1.20 0.00 0.00 0.00 173.10 173.05 1tiy s GLN 41 N -1.89 0.54 -0.07 2.90 -0.21 -1.26 -0.56 119.66 119.11 1tiy s GLN 41 Ca 0.02 -0.75 -0.30 0.00 0.02 0.00 0.00 55.36 54.35 1tiy s GLN 41 Cb -0.10 -0.32 -0.05 0.00 1.00 0.00 0.00 33.01 33.54 1tiy s GLN 41 CO 0.03 0.06 1.53 1.21 -2.12 0.00 0.00 175.29 176.00 1tiy s ASN 42 N -1.55 6.76 -0.19 5.90 3.84 -0.56 -4.20 114.94 124.93 1tiy s ASN 42 Ca -0.09 2.10 0.19 0.00 0.21 0.00 0.00 52.86 55.27 1tiy s ASN 42 Cb -0.10 -2.54 0.47 0.00 -0.55 0.00 0.00 41.25 38.53 1tiy s ASN 42 CO 0.00 -0.86 1.15 -0.46 -2.79 0.00 0.00 177.10 174.15 1tiy n ASN 43 N 6.71 2.07 0.15 -4.21 6.94 -0.85 -2.72 115.26 123.36 1tiy n ASN 43 Ca 0.16 -2.55 -0.16 0.00 -0.02 0.00 0.00 54.58 52.01 1tiy n ASN 43 Cb 0.43 -0.41 -0.08 0.00 -2.36 0.00 0.00 39.78 37.36 1tiy n ASN 43 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 1tiy h VAL 44 N 4.81 0.11 0.07 3.53 2.07 -1.75 -2.47 116.25 122.61 1tiy h VAL 44 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1tiy h VAL 44 Cb 1.45 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1tiy h VAL 44 CO 0.25 0.00 -0.03 0.71 0.02 0.00 0.00 177.57 178.52 1tiy h THR 45 N -0.74 1.12 0.00 2.57 1.35 -1.86 -1.53 112.91 113.82 1tiy h THR 45 Ca -0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1tiy h THR 45 Cb 0.73 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1tiy h THR 45 CO -0.21 0.16 0.00 1.07 -0.25 0.00 0.00 175.52 176.29 1tiy n THR 46 N -4.99 1.53 -2.03 6.82 5.66 -1.22 -2.79 114.28 117.26 1tiy n THR 46 Ca -0.08 0.44 0.02 0.00 -3.05 0.00 0.00 64.05 61.38 1tiy n THR 46 Cb 0.18 -1.36 0.03 0.00 -1.55 0.00 0.00 70.33 67.63 1tiy n THR 46 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1tiy n SER 47 N -1.63 0.60 -4.22 1.09 3.41 -0.93 -5.03 113.62 106.90 1tiy n SER 47 Ca 0.01 -2.20 -0.31 0.00 -0.26 0.00 0.00 58.87 56.11 1tiy n SER 47 Cb 0.07 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 1tiy n SER 47 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1tiy n ASN 48 N -0.05 0.43 -3.54 4.04 3.02 -0.65 -4.94 115.26 113.58 1tiy n ASN 48 Ca 0.04 -1.22 -0.29 0.00 -0.03 0.00 0.00 54.58 53.08 1tiy n ASN 48 Cb 0.82 -1.51 -0.14 0.00 -0.61 0.00 0.00 39.78 38.33 1tiy n ASN 48 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1tiy s ASP 49 N -4.25 3.45 0.50 6.41 -1.08 -0.77 -5.00 116.67 115.91 1tiy s ASP 49 Ca 0.05 -1.51 0.32 0.00 -0.52 0.00 0.00 52.55 50.88 1tiy s ASP 49 Cb -0.03 -0.39 1.72 0.00 -1.46 0.00 0.00 42.92 42.76 1tiy s ASP 49 CO 0.95 -0.41 1.96 1.55 0.52 0.00 0.00 175.17 179.74 1tiy h PRO 50 N 8.08 0.00 -0.10 4.34 0.13 -1.92 0.48 132.00 143.01 1tiy h PRO 50 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1tiy h PRO 50 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1tiy h PRO 50 CO 0.40 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.42 1tiy n THR 51 N -2.64 0.11 -1.21 1.56 -2.24 -1.26 -4.64 114.28 103.95 1tiy n THR 51 Ca -0.02 -0.38 -0.27 0.00 -2.27 0.00 0.00 64.05 61.11 1tiy n THR 51 Cb 0.10 0.74 -0.09 0.00 -2.10 0.00 0.00 70.33 68.98 1tiy n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tiy n ALA 52 N 0.62 6.98 -1.90 6.98 0.00 0.16 -4.72 120.51 128.62 1tiy n ALA 52 Ca 0.17 -2.78 -0.30 0.00 0.00 0.00 0.00 53.44 50.52 1tiy n ALA 52 Cb 0.43 -2.84 0.02 0.00 0.00 0.00 0.00 19.45 17.06 1tiy n ALA 52 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1tiy s HIS 53 N 1.37 3.55 0.17 0.00 3.76 -1.26 -2.00 115.29 120.87 1tiy s HIS 53 Ca 0.68 1.19 -0.20 0.00 -0.15 0.00 0.00 55.06 56.58 1tiy s HIS 53 Cb 0.25 -2.78 0.10 0.00 1.11 0.00 0.00 32.58 31.26 1tiy s HIS 53 CO -0.04 -0.79 1.62 0.00 -0.85 0.00 0.00 174.74 174.68 1tiy h ALA 54 N -0.37 0.01 -0.66 -1.40 0.00 -1.82 0.56 119.26 115.59 1tiy h ALA 54 Ca -0.44 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1tiy h ALA 54 Cb 1.21 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1tiy h ALA 54 CO 0.62 -0.62 0.09 1.05 0.00 0.00 0.00 179.25 180.40 1tiy h GLU 55 N -0.17 1.10 -0.54 0.00 9.09 -1.88 -1.42 114.58 120.76 1tiy h GLU 55 Ca 0.20 -0.30 -0.08 0.00 0.05 0.00 0.00 59.36 59.23 1tiy h GLU 55 Cb 0.48 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 27.44 1tiy h GLU 55 CO -0.52 1.02 0.03 0.28 0.05 0.00 0.00 179.01 179.86 1tiy h VAL 56 N 1.02 1.25 -0.38 -1.06 2.07 -1.76 -0.99 116.25 116.40 1tiy h VAL 56 Ca 0.20 -1.03 -0.11 0.00 0.82 0.00 0.00 66.70 66.57 1tiy h VAL 56 Cb 0.46 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1tiy h VAL 56 CO 0.02 0.37 -0.23 0.74 0.02 0.00 0.00 177.57 178.49 1tiy h THR 57 N 0.85 1.27 -0.31 2.57 2.02 -0.60 -2.11 112.91 116.59 1tiy h THR 57 Ca 0.16 -1.33 -0.16 0.00 0.77 0.00 0.00 66.41 65.85 1tiy h THR 57 Cb 0.46 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1tiy h THR 57 CO 0.02 0.44 -0.43 0.00 0.37 0.00 0.00 175.52 175.92 1tiy h ALA 58 N 1.09 0.64 0.11 6.16 0.00 -0.99 -2.44 119.26 123.83 1tiy h ALA 58 Ca 0.09 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1tiy h ALA 58 Cb 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1tiy h ALA 58 CO 0.06 0.67 -0.05 0.82 0.00 0.00 0.00 179.25 180.75 1tiy h ILE 59 N 0.64 0.97 -0.53 0.00 2.04 -1.06 0.29 117.51 119.86 1tiy h ILE 59 Ca 0.04 -0.29 0.09 0.00 1.00 0.00 0.00 64.86 65.70 1tiy h ILE 59 Cb 1.00 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 1tiy h ILE 59 CO 0.10 0.07 0.11 0.03 0.00 0.00 0.00 178.15 178.46 1tiy h ARG 60 N -0.28 0.25 -0.22 2.37 3.08 -1.37 0.42 114.38 118.62 1tiy h ARG 60 Ca -0.01 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1tiy h ARG 60 Cb 0.23 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1tiy h ARG 60 CO 0.02 0.16 -0.01 0.87 -1.07 0.00 0.00 179.97 179.94 1tiy h LYS 61 N 0.25 0.40 -0.39 0.04 1.57 -1.24 -1.94 116.57 115.27 1tiy h LYS 61 Ca 0.27 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1tiy h LYS 61 Cb 0.37 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1tiy h LYS 61 CO -0.34 0.60 0.13 0.00 -0.57 0.00 0.00 179.45 179.27 1tiy h ALA 62 N 0.79 0.45 -0.60 3.86 0.00 0.11 -0.84 119.26 123.02 1tiy h ALA 62 Ca 0.06 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1tiy h ALA 62 Cb 0.43 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1tiy h ALA 62 CO 0.01 -0.26 0.08 0.00 0.00 0.00 0.00 179.25 179.08 1tiy h LYS 64 N 0.93 0.79 -0.39 0.00 3.64 -0.80 0.34 116.57 121.07 1tiy h LYS 64 Ca 0.18 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1tiy h LYS 64 Cb 0.43 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1tiy h LYS 64 CO 0.01 0.52 0.22 0.28 -2.27 0.00 0.00 179.45 178.21 1tiy h VAL 65 N 0.81 1.15 0.00 2.00 2.07 -0.88 -2.45 116.25 118.95 1tiy h VAL 65 Ca 0.24 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1tiy h VAL 65 Cb -0.05 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1tiy h VAL 65 CO -0.07 0.15 0.00 0.18 0.02 0.00 0.00 177.57 177.85 1tiy n LEU 66 N -4.75 0.00 -3.78 2.57 4.77 -0.71 -4.90 117.00 110.20 1tiy n LEU 66 Ca 0.00 0.33 -0.23 0.00 -0.03 0.00 0.00 56.01 56.08 1tiy n LEU 66 Cb 0.08 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1tiy n LEU 66 CO 0.36 -0.00 -0.13 0.61 -1.33 0.00 0.00 177.39 176.90 1tiy n GLY 67 N 1.31 -0.32 3.55 -0.72 0.00 0.11 -4.95 105.19 104.17 1tiy n GLY 67 Ca 0.13 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 1tiy n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tiy s ALA 68 N -3.76 0.33 -0.05 4.61 0.00 -0.68 -5.05 121.76 117.15 1tiy s ALA 68 Ca 0.04 -1.26 0.08 0.00 0.00 0.00 0.00 51.96 50.82 1tiy s ALA 68 Cb -0.01 1.08 0.12 0.00 0.00 0.00 0.00 23.12 24.31 1tiy s ALA 68 CO 0.84 -0.83 1.00 2.48 0.00 0.00 0.00 175.76 179.26 1tiy n TYR 69 N -0.51 0.00 -4.27 0.00 0.18 -1.26 -4.50 117.16 106.80 1tiy n TYR 69 Ca -0.01 -0.55 -0.17 0.00 1.88 0.00 0.00 57.90 59.05 1tiy n TYR 69 Cb 0.62 -0.09 -0.14 0.00 -0.38 0.00 0.00 39.34 39.35 1tiy n TYR 69 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1tiy s GLN 70 N -1.47 0.65 -0.89 -3.48 -1.52 -1.26 -4.75 119.66 106.94 1tiy s GLN 70 Ca 0.13 -0.40 -0.00 0.00 -1.95 0.00 0.00 55.36 53.14 1tiy s GLN 70 Cb 0.12 -0.61 0.34 0.00 -0.22 0.00 0.00 33.01 32.64 1tiy s GLN 70 CO 0.01 0.16 1.74 1.28 -0.25 0.00 0.00 175.29 178.24 1tiy n LEU 71 N 2.57 6.93 -4.73 2.90 4.77 0.19 -4.96 117.00 124.66 1tiy n LEU 71 Ca -0.15 -5.26 -0.41 0.00 -0.03 0.00 0.00 56.01 50.15 1tiy n LEU 71 Cb 0.57 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 1tiy n LEU 71 CO 0.24 2.02 0.94 -1.81 -1.33 0.00 0.00 177.39 177.44 1tiy s ASP 72 N -1.64 6.99 -0.91 -1.43 1.01 -1.26 -2.77 116.67 116.66 1tiy s ASP 72 Ca 0.44 2.26 -0.02 0.00 0.71 0.00 0.00 52.55 55.94 1tiy s ASP 72 Cb 0.28 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1tiy s ASP 72 CO -0.22 -0.47 0.30 -0.67 0.21 0.00 0.00 175.17 174.32 1tiy n ASP 73 N 2.94 -4.12 -4.35 0.27 2.03 -1.26 -4.99 116.55 107.07 1tiy n ASP 73 Ca 0.06 -0.14 -0.24 0.00 0.52 0.00 0.00 54.79 54.99 1tiy n ASP 73 Cb 0.44 -3.05 -0.12 0.00 -0.72 0.00 0.00 41.12 37.67 1tiy n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1tiy s ILE 75 N -1.67 1.58 -0.18 0.00 1.01 -0.47 -0.57 121.20 120.89 1tiy s ILE 75 Ca 0.14 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 1tiy s ILE 75 Cb -0.08 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 1tiy s ILE 75 CO 0.07 0.45 0.02 -0.22 0.00 0.00 0.00 174.94 175.25 1tiy s LEU 76 N -0.12 3.48 -0.16 2.97 2.96 -0.34 -1.05 118.68 126.43 1tiy s LEU 76 Ca -0.01 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1tiy s LEU 76 Cb -0.11 -1.87 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 1tiy s LEU 76 CO 0.02 0.14 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.73 1tiy s TYR 77 N 0.57 2.79 0.07 5.38 1.51 0.19 -0.26 117.35 127.61 1tiy s TYR 77 Ca 0.00 -1.04 0.10 0.00 -1.01 0.00 0.00 57.07 55.12 1tiy s TYR 77 Cb -0.14 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 1tiy s TYR 77 CO 0.02 -0.48 -0.26 0.95 -1.11 0.00 0.00 175.55 174.67 1tiy s THR 78 N 0.85 2.10 -0.02 -0.71 -4.23 0.02 0.09 115.64 113.74 1tiy s THR 78 Ca -0.04 -1.49 0.30 0.00 -1.18 0.00 0.00 61.69 59.28 1tiy s THR 78 Cb -0.15 -1.82 0.32 0.00 1.34 0.00 0.00 72.50 72.18 1tiy s THR 78 CO -0.01 0.24 1.90 0.77 -0.54 0.00 0.00 174.62 176.99 1tiy h SER 79 N 4.49 0.00 -5.06 3.99 4.64 -1.39 -2.76 113.55 117.46 1tiy h SER 79 Ca -0.47 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.79 1tiy h SER 79 Cb 1.15 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.10 1tiy h SER 79 CO 0.42 0.00 -0.05 0.00 -0.87 0.00 0.00 176.83 176.33 1tiy n GLU 81 N -0.02 2.58 -1.47 0.00 2.13 -0.32 -4.77 120.64 118.78 1tiy n GLU 81 Ca -0.17 0.94 -0.39 0.00 0.66 0.00 0.00 57.16 58.21 1tiy n GLU 81 Cb 0.63 -2.82 0.03 0.00 0.27 0.00 0.00 31.44 29.55 1tiy n GLU 81 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1tiy n PRO 82 N 5.83 0.55 -2.21 5.31 -0.02 -1.26 -4.72 135.00 138.47 1tiy n PRO 82 Ca 0.19 0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 61.59 1tiy n PRO 82 Cb 0.35 -1.69 0.01 0.00 -0.02 0.00 0.00 33.50 32.15 1tiy n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tiy n PRO 84 N -2.59 0.00 0.00 0.00 -0.02 -1.26 0.63 135.00 131.76 1tiy n PRO 84 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1tiy n PRO 84 Cb 0.55 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 1tiy n PRO 84 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tiy h LEU 87 N 0.00 0.37 -1.19 0.00 3.38 -0.13 -2.22 115.31 115.52 1tiy h LEU 87 Ca 0.00 -0.82 0.05 0.00 0.09 0.00 0.00 57.88 57.21 1tiy h LEU 87 Cb 0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1tiy h LEU 87 CO 0.00 1.14 0.57 1.23 0.09 0.00 0.00 178.44 181.46 1tiy h GLY 88 N -0.36 1.24 1.26 0.83 0.00 -1.29 -0.72 103.07 104.03 1tiy h GLY 88 Ca -0.06 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1tiy h GLY 88 CO 0.09 0.31 0.17 0.00 0.00 0.00 0.00 176.54 177.11 1tiy h ALA 89 N 1.52 1.16 0.01 3.60 0.00 -1.80 -1.20 119.26 122.55 1tiy h ALA 89 Ca 0.36 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1tiy h ALA 89 Cb 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1tiy h ALA 89 CO -0.12 0.58 -0.01 0.82 0.00 0.00 0.00 179.25 180.52 1tiy h ILE 90 N 0.90 1.00 0.00 0.00 1.08 -0.52 -0.28 117.51 119.69 1tiy h ILE 90 Ca 0.20 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.61 1tiy h ILE 90 Cb 0.29 1.02 -0.00 0.00 -3.07 0.00 0.00 36.82 35.05 1tiy h ILE 90 CO -0.01 0.01 -0.15 1.88 -0.69 0.00 0.00 178.15 179.19 1tiy h TYR 91 N -0.03 0.00 0.05 1.37 -1.99 -0.97 0.41 116.97 115.81 1tiy h TYR 91 Ca -0.00 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.47 1tiy h TYR 91 Cb 0.02 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.73 1tiy h TYR 91 CO -0.08 0.15 -1.28 -1.49 -0.00 0.00 0.00 178.16 175.47 1tiy h TRP 92 N 0.00 0.19 0.10 4.88 -0.00 -0.90 -3.35 115.95 116.87 1tiy h TRP 92 Ca -0.00 -0.14 -0.27 0.00 -0.00 0.00 0.00 58.89 58.48 1tiy h TRP 92 Cb 0.49 -0.01 0.03 0.00 -0.00 0.00 0.00 29.16 29.66 1tiy h TRP 92 CO 0.00 1.14 -1.12 0.00 -0.00 0.00 0.00 178.44 178.46 1tiy h ALA 93 N 0.81 0.00 -3.52 1.49 0.00 -0.53 -3.47 119.26 114.04 1tiy h ALA 93 Ca -0.13 -0.74 -0.11 0.00 0.00 0.00 0.00 54.91 53.93 1tiy h ALA 93 Cb 1.90 0.10 0.07 0.00 0.00 0.00 0.00 17.79 19.86 1tiy h ALA 93 CO 0.14 0.62 -0.30 0.54 0.00 0.00 0.00 179.25 180.25 1tiy n ARG 94 N -3.88 -1.99 -1.66 0.00 1.74 0.14 -0.64 116.66 110.36 1tiy n ARG 94 Ca -0.13 0.32 -0.31 0.00 -0.77 0.00 0.00 57.85 56.95 1tiy n ARG 94 Cb 0.93 -3.57 0.04 0.00 -1.02 0.00 0.00 32.46 28.84 1tiy n ARG 94 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1tiy s PRO 95 N -4.22 2.97 0.33 5.56 0.04 -1.25 -4.14 135.00 134.29 1tiy s PRO 95 Ca 0.05 1.04 0.26 0.00 0.04 0.00 0.00 61.00 62.39 1tiy s PRO 95 Cb -0.01 -1.99 0.84 0.00 0.04 0.00 0.00 34.50 33.38 1tiy s PRO 95 CO 0.27 -1.07 1.76 1.57 0.04 0.00 0.00 177.00 179.57 1tiy h LYS 96 N -0.46 0.00 -2.55 4.56 2.10 -0.99 -3.47 116.57 115.76 1tiy h LYS 96 Ca -0.45 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.29 1tiy h LYS 96 Cb 1.21 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.42 1tiy h LYS 96 CO 0.56 0.00 0.39 0.00 -2.00 0.00 0.00 179.45 178.41 1tiy s ALA 97 N -3.27 -1.69 -0.08 0.07 0.00 -1.22 -5.05 121.76 110.52 1tiy s ALA 97 Ca 0.07 0.62 -0.05 0.00 0.00 0.00 0.00 51.96 52.60 1tiy s ALA 97 Cb 0.09 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.86 1tiy s ALA 97 CO 0.56 -0.80 0.18 0.54 0.00 0.00 0.00 175.76 176.24 1tiy s VAL 98 N -3.39 -0.03 0.06 0.00 0.11 -1.26 -1.20 120.40 114.71 1tiy s VAL 98 Ca 0.06 0.10 0.09 0.00 -2.93 0.00 0.00 61.98 59.29 1tiy s VAL 98 Cb -0.01 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1tiy s VAL 98 CO -0.07 0.04 -0.22 -0.36 -3.33 0.00 0.00 175.10 171.16 1tiy s PHE 99 N 0.74 2.45 -0.01 1.54 0.40 0.64 -4.97 117.98 118.77 1tiy s PHE 99 Ca -0.05 -0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 55.87 1tiy s PHE 99 Cb -0.07 -1.40 0.01 0.00 0.51 0.00 0.00 43.02 42.07 1tiy s PHE 99 CO -0.04 0.24 0.18 1.52 0.70 0.00 0.00 175.22 177.82 1tiy s TYR 100 N -0.94 -0.04 0.00 0.36 -0.85 -1.26 -0.80 117.35 113.83 1tiy s TYR 100 Ca 0.14 0.05 0.00 0.00 -0.52 0.00 0.00 57.07 56.74 1tiy s TYR 100 Cb -0.10 -0.00 0.00 0.00 0.38 0.00 0.00 41.96 42.24 1tiy s TYR 100 CO 0.05 -0.28 0.00 0.00 -1.52 0.00 0.00 175.55 173.80 1tiy n ALA 101 N 1.65 0.00 -1.75 9.51 0.00 -1.04 -4.92 120.51 123.96 1tiy n ALA 101 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.87 1tiy n ALA 101 Cb 0.56 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.04 1tiy n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tiy s ALA 102 N -4.34 2.58 0.57 0.00 0.00 -0.54 -4.86 121.76 115.17 1tiy s ALA 102 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.01 1tiy s ALA 102 Cb 0.00 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.70 1tiy s ALA 102 CO 0.00 -1.16 0.80 -1.21 0.00 0.00 0.00 175.76 174.18 1tiy s GLU 103 N -3.26 2.44 0.54 0.00 2.02 -1.26 -1.17 118.70 118.01 1tiy s GLU 103 Ca 0.76 -0.84 0.33 0.00 0.02 0.00 0.00 54.97 55.25 1tiy s GLU 103 Cb -0.31 -2.48 1.34 0.00 0.10 0.00 0.00 34.13 32.79 1tiy s GLU 103 CO 0.34 -0.80 1.97 1.12 0.02 0.00 0.00 175.26 177.92 1tiy h HIS 104 N 0.01 0.00 0.00 1.61 2.07 -1.96 -2.09 115.15 114.78 1tiy h HIS 104 Ca -0.41 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 56.96 1tiy h HIS 104 Cb 1.29 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.25 1tiy h HIS 104 CO 0.31 0.00 -0.71 1.79 -3.07 0.00 0.00 177.93 176.25 1tiy h THR 105 N 0.00 1.49 -0.51 6.12 1.35 -1.97 -2.06 112.91 117.33 1tiy h THR 105 Ca 0.00 -2.43 -0.11 0.00 -0.55 0.00 0.00 66.41 63.32 1tiy h THR 105 Cb 0.52 2.32 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 1tiy h THR 105 CO 0.00 0.69 -0.11 0.44 -0.25 0.00 0.00 175.52 176.29 1tiy h ASP 106 N 0.00 0.96 0.18 5.36 3.32 -1.77 -1.47 116.42 123.02 1tiy h ASP 106 Ca -0.01 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.62 1tiy h ASP 106 Cb 1.26 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1tiy h ASP 106 CO 0.09 1.08 -0.40 0.00 -1.72 0.00 0.00 179.24 178.29 1tiy h ALA 107 N 1.00 1.08 -0.30 3.45 0.00 -1.36 -2.71 119.26 120.43 1tiy h ALA 107 Ca 0.13 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1tiy h ALA 107 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1tiy h ALA 107 CO 0.05 0.59 -0.15 0.00 0.00 0.00 0.00 179.25 179.74 1tiy h ALA 108 N 1.34 0.42 0.00 0.00 0.00 -0.97 0.46 119.26 120.51 1tiy h ALA 108 Ca 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1tiy h ALA 108 Cb 0.82 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1tiy h ALA 108 CO 0.06 0.32 -0.06 0.93 0.00 0.00 0.00 179.25 180.50 1tiy h GLU 109 N 0.37 0.00 0.00 0.00 5.08 -1.14 -1.48 114.58 117.41 1tiy h GLU 109 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1tiy h GLU 109 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1tiy h GLU 109 CO 0.05 0.06 -0.45 0.00 -1.00 0.00 0.00 179.01 177.66 1tiy n ALA 110 N -2.22 3.25 0.00 3.43 0.00 -0.98 -4.93 120.51 119.07 1tiy n ALA 110 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1tiy n ALA 110 Cb 0.18 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1tiy n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tiy n GLY 111 N 1.47 1.20 2.68 0.00 0.00 -0.56 -5.04 105.19 104.94 1tiy n GLY 111 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1tiy n GLY 111 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tiy n PHE 112 N -1.23 3.77 -2.82 1.61 3.01 0.16 -4.99 117.46 116.98 1tiy n PHE 112 Ca 0.00 -3.98 -0.42 0.00 1.01 0.00 0.00 57.45 54.06 1tiy n PHE 112 Cb 0.00 -0.57 -0.03 0.00 -0.01 0.00 0.00 39.48 38.86 1tiy n PHE 112 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1tiy s ASP 113 N -2.87 7.02 0.00 4.37 -1.08 -1.26 -3.86 116.67 118.99 1tiy s ASP 113 Ca 0.44 1.25 0.16 0.00 -0.52 0.00 0.00 52.55 53.88 1tiy s ASP 113 Cb 0.21 -2.48 0.37 0.00 -1.46 0.00 0.00 42.92 39.55 1tiy s ASP 113 CO -0.07 -0.47 1.28 -0.90 0.52 0.00 0.00 175.17 175.54 1tiy n ASP 114 N 5.47 3.10 -0.34 -0.34 3.85 -1.26 -4.62 116.55 122.40 1tiy n ASP 114 Ca 0.07 -1.91 -0.02 0.00 -0.71 0.00 0.00 54.79 52.22 1tiy n ASP 114 Cb 0.48 -0.25 0.11 0.00 -1.35 0.00 0.00 41.12 40.11 1tiy n ASP 114 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1tiy h SER 115 N 3.07 1.02 -0.38 -1.12 0.02 -1.96 -2.39 113.55 111.82 1tiy h SER 115 Ca 0.00 -0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.04 1tiy h SER 115 Cb 0.80 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1tiy h SER 115 CO 0.00 0.72 0.31 2.19 -1.14 0.00 0.00 176.83 178.91 1tiy h PHE 116 N 1.20 0.00 0.02 3.45 -5.15 -2.00 0.12 116.94 114.58 1tiy h PHE 116 Ca 0.36 0.00 -0.22 0.00 -0.20 0.00 0.00 57.97 57.91 1tiy h PHE 116 Cb -0.05 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.11 1tiy h PHE 116 CO -0.01 0.00 -0.96 0.82 -2.00 0.00 0.00 178.31 176.16 1tiy h ILE 117 N 0.00 1.48 -0.60 0.88 2.04 -1.78 -2.15 117.51 117.38 1tiy h ILE 117 Ca 0.18 -2.68 -0.10 0.00 1.00 0.00 0.00 64.86 63.26 1tiy h ILE 117 Cb 0.80 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 1tiy h ILE 117 CO -0.00 0.79 -0.01 1.88 0.00 0.00 0.00 178.15 180.80 1tiy h TYR 118 N 0.13 1.16 -0.59 1.37 -1.99 -1.02 -0.66 116.97 115.37 1tiy h TYR 118 Ca -0.07 -0.20 -0.03 0.00 2.00 0.00 0.00 58.73 60.43 1tiy h TYR 118 Cb 1.62 -0.30 -0.03 0.00 2.00 0.00 0.00 36.73 40.02 1tiy h TYR 118 CO 0.04 1.02 0.25 0.87 -0.00 0.00 0.00 178.16 180.35 1tiy h LYS 119 N 0.97 0.87 -0.28 4.88 1.57 -1.32 -2.85 116.57 120.41 1tiy h LYS 119 Ca 0.17 -0.15 -0.19 0.00 -1.87 0.00 0.00 60.65 58.62 1tiy h LYS 119 Cb 0.57 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1tiy h LYS 119 CO 0.03 0.73 -0.56 0.93 -0.57 0.00 0.00 179.45 180.01 1tiy h GLU 120 N 0.81 0.86 0.00 3.15 4.39 -1.17 -2.90 114.58 119.72 1tiy h GLU 120 Ca 0.20 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 1tiy h GLU 120 Cb 0.17 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1tiy h GLU 120 CO -0.02 1.19 -0.03 0.82 -1.16 0.00 0.00 179.01 179.81 1tiy h ILE 121 N 0.66 0.14 0.00 3.13 2.04 -1.09 -1.99 117.51 120.40 1tiy h ILE 121 Ca 0.01 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1tiy h ILE 121 Cb 1.17 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1tiy h ILE 121 CO 0.12 0.03 -0.51 -0.78 0.00 0.00 0.00 178.15 177.02 1tiy h ASP 122 N 0.00 0.00 -4.42 1.72 -0.00 -1.31 -3.47 116.42 108.94 1tiy h ASP 122 Ca -0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 57.03 56.57 1tiy h ASP 122 Cb 0.29 0.00 0.12 0.00 -0.00 0.00 0.00 39.33 39.74 1tiy h ASP 122 CO 0.00 0.21 0.40 -0.54 -0.00 0.00 0.00 179.24 179.31 1tiy s LYS 123 N -3.14 1.52 0.00 0.28 1.02 -0.75 -5.05 119.74 113.62 1tiy s LYS 123 Ca 0.03 -0.00 0.00 0.00 0.02 0.00 0.00 55.97 56.02 1tiy s LYS 123 Cb 0.07 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.47 1tiy s LYS 123 CO 0.73 -1.88 0.70 -0.35 -0.92 0.00 0.00 175.35 173.62 1tiy n PRO 124 N -3.49 0.00 0.00 -1.68 -0.04 -1.26 -5.03 135.00 123.50 1tiy n PRO 124 Ca 0.10 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1tiy n PRO 124 Cb 0.60 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1tiy n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tiy n ALA 125 N -1.93 0.00 0.30 0.55 0.00 -1.26 -4.91 120.51 113.27 1tiy n ALA 125 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1tiy n ALA 125 Cb 0.00 0.00 0.95 0.00 0.00 0.00 0.00 19.45 20.40 1tiy n ALA 125 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1tiy h GLU 126 N 0.00 0.00 -2.80 0.00 9.09 -1.93 -3.06 114.58 115.88 1tiy h GLU 126 Ca 0.00 0.00 -0.76 0.00 0.05 0.00 0.00 59.36 58.65 1tiy h GLU 126 Cb 0.00 0.00 -0.31 0.00 -1.65 0.00 0.00 28.75 26.79 1tiy h GLU 126 CO 0.00 0.02 0.48 0.39 0.05 0.00 0.00 179.01 179.95 1tiy n GLU 127 N -3.20 4.02 -3.81 1.06 1.02 -1.26 -4.81 120.64 113.66 1tiy n GLU 127 Ca -0.02 -4.58 -0.12 0.00 -0.02 0.00 0.00 57.16 52.43 1tiy n GLU 127 Cb 0.18 -2.46 -0.09 0.00 -0.02 0.00 0.00 31.44 29.05 1tiy n GLU 127 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1tiy s ARG 128 N -2.65 0.63 0.15 3.49 0.52 -1.16 -4.47 118.95 115.45 1tiy s ARG 128 Ca 0.33 -0.36 -0.29 0.00 -0.52 0.00 0.00 55.73 54.89 1tiy s ARG 128 Cb 0.06 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.76 1tiy s ARG 128 CO 0.07 -0.17 1.57 1.15 0.02 0.00 0.00 175.30 177.94 1tiy h THR 129 N 3.86 0.07 -3.45 0.02 2.02 -1.94 -3.29 112.91 110.21 1tiy h THR 129 Ca -0.31 0.00 -0.61 0.00 0.77 0.00 0.00 66.41 66.27 1tiy h THR 129 Cb 1.19 0.07 -0.11 0.00 -1.74 0.00 0.00 68.15 67.56 1tiy h THR 129 CO 0.42 0.00 0.19 -0.63 0.37 0.00 0.00 175.52 175.87 1tiy s ILE 130 N -5.79 4.97 0.15 3.11 1.01 -1.26 -5.02 121.20 118.37 1tiy s ILE 130 Ca -0.15 1.18 -0.30 0.00 0.00 0.00 0.00 60.65 61.38 1tiy s ILE 130 Cb 0.11 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.55 1tiy s ILE 130 CO 0.64 0.02 1.22 -2.16 0.00 0.00 0.00 174.94 174.67 1tiy s PRO 131 N 2.49 4.45 -0.15 2.79 0.04 -1.24 -4.96 135.00 138.43 1tiy s PRO 131 Ca 0.27 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 1tiy s PRO 131 Cb -0.15 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 1tiy s PRO 131 CO 0.08 -0.17 -0.06 -0.06 0.04 0.00 0.00 177.00 176.84 1tiy s PHE 132 N 0.31 2.97 -0.07 0.56 0.40 -1.22 -5.06 117.98 115.88 1tiy s PHE 132 Ca 0.56 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 56.52 1tiy s PHE 132 Cb -0.33 -1.94 -0.01 0.00 0.51 0.00 0.00 43.02 41.25 1tiy s PHE 132 CO 0.34 -0.11 -0.20 0.71 0.70 0.00 0.00 175.22 176.67 1tiy s TYR 133 N 0.43 2.58 -0.40 0.36 2.02 -1.26 -4.05 117.35 117.03 1tiy s TYR 133 Ca -0.05 -0.61 -0.08 0.00 -0.37 0.00 0.00 57.07 55.96 1tiy s TYR 133 Cb -0.15 -1.67 0.07 0.00 -0.40 0.00 0.00 41.96 39.82 1tiy s TYR 133 CO 0.03 -0.15 0.22 -1.14 -1.57 0.00 0.00 175.55 172.95 1tiy s GLN 134 N -0.13 2.54 0.04 -0.62 -0.44 -1.26 -5.08 119.66 114.72 1tiy s GLN 134 Ca -0.03 -1.45 -0.17 0.00 -2.50 0.00 0.00 55.36 51.21 1tiy s GLN 134 Cb -0.14 -3.70 -0.06 0.00 -1.64 0.00 0.00 33.01 27.47 1tiy s GLN 134 CO 0.04 -0.91 0.49 0.08 0.50 0.00 0.00 175.29 175.49 1tiy s VAL 135 N 1.39 4.88 -0.46 1.34 1.01 -1.26 -5.04 120.40 122.26 1tiy s VAL 135 Ca 0.03 1.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.78 1tiy s VAL 135 Cb -0.22 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.38 1tiy s VAL 135 CO 0.01 0.54 0.85 -0.89 0.00 0.00 0.00 175.10 175.62 1tiy s THR 136 N -1.12 4.56 -0.15 3.92 2.01 -1.26 -5.02 115.64 118.58 1tiy s THR 136 Ca 0.27 0.52 0.00 0.00 0.31 0.00 0.00 61.69 62.79 1tiy s THR 136 Cb -0.18 -4.38 -0.00 0.00 0.01 0.00 0.00 72.50 67.95 1tiy s THR 136 CO 0.16 -0.80 -0.15 -0.76 -0.69 0.00 0.00 174.62 172.39 1tiy s LEU 137 N 3.51 2.49 0.61 4.42 1.02 -1.26 -5.00 118.68 124.47 1tiy s LEU 137 Ca 0.32 -0.46 0.33 0.00 0.02 0.00 0.00 54.13 54.34 1tiy s LEU 137 Cb -0.11 -1.57 1.91 0.00 0.02 0.00 0.00 46.19 46.44 1tiy s LEU 137 CO 0.24 0.09 2.23 0.71 0.02 0.00 0.00 176.35 179.64 1tiy h THR 138 N 5.65 0.37 -0.59 5.49 1.35 -2.07 -1.58 112.91 121.53 1tiy h THR 138 Ca -0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1tiy h THR 138 Cb 1.19 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1tiy h THR 138 CO 0.57 0.00 0.00 -1.84 -0.25 0.00 0.00 175.52 174.00 1tiy n GLU 139 N -3.62 3.79 0.30 4.72 0.00 -1.26 -4.62 120.64 119.95 1tiy n GLU 139 Ca -0.02 -2.88 0.19 0.00 0.00 0.00 0.00 57.16 54.44 1tiy n GLU 139 Cb 0.15 -1.91 0.96 0.00 0.00 0.00 0.00 31.44 30.65 1tiy n GLU 139 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 1tiy h HIS 140 N 3.79 0.00 -0.01 -1.84 2.07 -1.71 0.13 115.15 117.57 1tiy h HIS 140 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1tiy h HIS 140 Cb 1.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.47 1tiy h HIS 140 CO 0.76 0.00 -0.22 1.28 -3.07 0.00 0.00 177.93 176.68 1tiy n LEU 141 N -3.17 1.69 -0.20 6.12 4.77 -1.26 -4.51 117.00 120.44 1tiy n LEU 141 Ca -0.01 -0.55 0.01 0.00 -0.03 0.00 0.00 56.01 55.42 1tiy n LEU 141 Cb 0.27 -0.05 0.10 0.00 -2.33 0.00 0.00 43.42 41.41 1tiy n LEU 141 CO 0.19 0.30 0.85 0.77 -1.33 0.00 0.00 177.39 178.17 1tiy h SER 142 N 2.30 -0.21 0.41 -1.43 4.64 -1.09 -1.52 113.55 116.66 1tiy h SER 142 Ca 0.00 0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1tiy h SER 142 Cb 0.64 0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1tiy h SER 142 CO 0.00 -0.08 -0.09 1.55 -0.87 0.00 0.00 176.83 177.33 1tiy h PRO 143 N 0.15 0.00 0.00 4.77 0.13 -1.79 0.16 132.00 135.42 1tiy h PRO 143 Ca 0.32 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.27 1tiy h PRO 143 Cb 0.50 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.61 1tiy h PRO 143 CO -0.49 0.09 -0.85 0.74 -0.23 0.00 0.00 178.00 177.27 1tiy h PHE 144 N 0.00 0.00 -0.09 1.56 0.04 -1.61 -2.45 116.94 114.38 1tiy h PHE 144 Ca -0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 1tiy h PHE 144 Cb 0.32 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.48 1tiy h PHE 144 CO 0.00 0.81 -0.43 1.96 -0.60 0.00 0.00 178.31 180.05 1tiy h GLN 145 N 0.00 0.45 0.00 1.51 4.20 -0.60 -1.52 115.11 119.14 1tiy h GLN 145 Ca -0.02 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 1tiy h GLN 145 Cb 1.63 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.49 1tiy h GLN 145 CO 0.10 1.00 -0.03 0.00 -0.67 0.00 0.00 178.83 179.23 1tiy h ALA 146 N 0.45 1.60 0.18 3.87 0.00 -1.01 -0.98 119.26 123.38 1tiy h ALA 146 Ca -0.03 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 1tiy h ALA 146 Cb 1.08 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.89 1tiy h ALA 146 CO 0.09 0.03 -1.09 2.35 0.00 0.00 0.00 179.25 180.63 1tiy h TRP 147 N 0.00 0.69 -0.46 0.00 2.91 -1.29 -0.78 115.95 117.02 1tiy h TRP 147 Ca -0.00 -0.51 -0.02 0.00 1.13 0.00 0.00 58.89 59.50 1tiy h TRP 147 Cb 0.06 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.66 1tiy h TRP 147 CO 0.00 1.42 0.22 -0.09 -1.03 0.00 0.00 178.44 178.95 1tiy h ARG 148 N -0.19 0.64 -0.06 2.65 9.65 -0.80 -2.84 114.38 123.42 1tiy h ARG 148 Ca -0.19 -0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 58.53 1tiy h ARG 148 Cb 1.84 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 30.29 1tiy h ARG 148 CO 0.19 0.50 -0.29 -0.97 2.80 0.00 0.00 179.97 182.20 1tiy h ASN 149 N 0.64 0.36 -2.12 -3.80 -1.24 -1.20 -3.44 115.58 104.78 1tiy h ASN 149 Ca 0.16 -0.65 -0.59 0.00 0.71 0.00 0.00 56.30 55.92 1tiy h ASN 149 Cb 0.07 -0.11 0.02 0.00 0.73 0.00 0.00 38.32 39.04 1tiy h ASN 149 CO -0.02 0.95 1.12 0.33 -1.29 0.00 0.00 177.43 178.52 1tiy n PHE 150 N -4.46 2.38 -0.07 0.67 7.35 -0.30 -4.90 117.46 118.12 1tiy n PHE 150 Ca -0.08 -0.08 -0.14 0.00 -0.76 0.00 0.00 57.45 56.39 1tiy n PHE 150 Cb 0.48 -2.69 -0.13 0.00 0.35 0.00 0.00 39.48 37.49 1tiy n PHE 150 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tiy h ALA 151 N 9.37 0.00 0.00 3.13 0.00 -1.86 -3.35 119.26 126.55 1tiy h ALA 151 Ca -0.49 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1tiy h ALA 151 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1tiy h ALA 151 CO 0.94 0.01 0.00 0.09 0.00 0.00 0.00 179.25 180.29 1tiy n ASN 152 N -4.61 2.64 -4.71 0.00 3.02 -1.26 -4.88 115.26 105.45 1tiy n ASN 152 Ca -0.10 -1.67 -0.42 0.00 -0.03 0.00 0.00 54.58 52.36 1tiy n ASN 152 Cb 0.47 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 1tiy n ASN 152 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1tiy s LYS 153 N 0.23 4.46 -0.60 3.52 -2.85 -1.26 -5.00 119.74 118.24 1tiy s LYS 153 Ca 0.00 1.69 -0.19 0.00 -1.00 0.00 0.00 55.97 56.46 1tiy s LYS 153 Cb 0.00 -3.38 0.10 0.00 -2.06 0.00 0.00 37.83 32.49 1tiy s LYS 153 CO 0.00 -0.22 0.73 0.15 0.10 0.00 0.00 175.35 176.11 1tiy s LYS 154 N 1.11 3.05 0.31 1.78 1.02 -1.26 -5.04 119.74 120.71 1tiy s LYS 154 Ca 0.57 -1.28 -0.29 0.00 0.02 0.00 0.00 55.97 54.99 1tiy s LYS 154 Cb -0.27 -4.27 -0.11 0.00 -0.52 0.00 0.00 37.83 32.66 1tiy s LYS 154 CO 0.29 -1.57 1.47 -2.00 -0.92 0.00 0.00 175.35 172.62 1tiy s GLU 155 N 2.81 4.20 -0.07 1.68 2.12 -1.26 -4.93 118.70 123.24 1tiy s GLU 155 Ca 0.13 2.44 0.10 0.00 0.36 0.00 0.00 54.97 58.00 1tiy s GLU 155 Cb -0.23 -3.04 0.19 0.00 0.26 0.00 0.00 34.13 31.31 1tiy s GLU 155 CO 0.06 -0.47 1.13 2.48 -0.54 0.00 0.00 175.26 177.92 1tiy n TYR 156 N 1.47 0.14 -0.01 5.30 0.18 -1.26 -5.21 117.16 117.76 1tiy n TYR 156 Ca 0.04 -0.73 0.00 0.00 1.88 0.00 0.00 57.90 59.09 1tiy n TYR 156 Cb 0.39 -0.11 0.00 0.00 -0.38 0.00 0.00 39.34 39.24 1tiy n TYR 156 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06