#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gio s GLN 2 N 0.00 3.48 0.00 0.00 -0.21 -1.26 -5.08 119.66 116.59 1gio s GLN 2 Ca 0.00 0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.75 1gio s GLN 2 Cb 0.00 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.75 1gio s GLN 2 CO 0.00 -0.40 0.00 -3.47 -2.12 0.00 0.00 175.29 169.30 1gio n ASP 3 N -2.48 0.00 -3.49 5.90 2.03 -1.26 -5.04 116.55 112.22 1gio n ASP 3 Ca 0.03 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.06 1gio n ASP 3 Cb 0.55 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.82 1gio n ASP 3 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1gio s ASP 4 N -1.00 3.04 0.00 1.67 -4.77 -1.26 -5.01 116.67 109.34 1gio s ASP 4 Ca 0.00 -1.67 0.00 0.00 -3.30 0.00 0.00 52.55 47.58 1gio s ASP 4 Cb 0.00 -0.27 0.00 0.00 -1.09 0.00 0.00 42.92 41.56 1gio s ASP 4 CO 0.00 -0.37 0.00 -1.22 0.70 0.00 0.00 175.17 174.28 1gio n TYR 5 N 4.67 0.00 0.00 2.11 4.01 -1.26 -5.11 117.16 121.58 1gio n TYR 5 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1gio n TYR 5 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 1gio n TYR 5 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1gio n ARG 6 N 2.83 0.00 -0.64 -0.72 1.85 -1.26 -4.81 116.66 113.91 1gio n ARG 6 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.93 1gio n ARG 6 Cb 0.00 -0.03 0.34 0.00 -1.05 0.00 0.00 32.46 31.72 1gio n ARG 6 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1gio n TYR 7 N -0.17 1.50 0.13 2.89 4.11 -1.26 -3.61 117.16 120.74 1gio n TYR 7 Ca 0.00 -0.68 0.01 0.00 -0.00 0.00 0.00 57.90 57.22 1gio n TYR 7 Cb 0.00 -0.32 0.09 0.00 -0.00 0.00 0.00 39.34 39.11 1gio n TYR 7 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.86 177.68 1gio h ILE 8 N 3.54 1.13 -0.77 -3.48 5.03 -1.97 -2.36 117.51 118.63 1gio h ILE 8 Ca 0.00 -2.32 -0.01 0.00 -0.12 0.00 0.00 64.86 62.42 1gio h ILE 8 Cb 1.56 2.37 -0.04 0.00 -3.03 0.00 0.00 36.82 37.68 1gio h ILE 8 CO 0.29 0.59 0.46 0.45 -0.68 0.00 0.00 178.15 179.26 1gio h HIS 9 N 0.00 1.02 -0.56 1.37 3.86 -1.88 0.11 115.15 119.08 1gio h HIS 9 Ca -0.01 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1gio h HIS 9 Cb 1.32 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 29.43 1gio h HIS 9 CO 0.00 0.69 0.35 0.35 0.86 0.00 0.00 177.93 180.18 1gio h PHE 10 N 1.05 0.72 -0.01 2.45 3.57 -1.70 -2.49 116.94 120.54 1gio h PHE 10 Ca 0.28 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1gio h PHE 10 Cb -0.03 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.47 1gio h PHE 10 CO -0.01 0.48 -0.13 1.28 -2.23 0.00 0.00 178.31 177.70 1gio n LEU 11 N -4.67 0.66 0.05 0.59 4.77 -0.92 -2.12 117.00 115.36 1gio n LEU 11 Ca 0.03 -0.09 -0.20 0.00 -0.03 0.00 0.00 56.01 55.72 1gio n LEU 11 Cb 0.04 -0.15 -0.15 0.00 -2.33 0.00 0.00 43.42 40.84 1gio n LEU 11 CO 0.36 0.12 0.01 0.74 -1.33 0.00 0.00 177.39 177.28 1gio h THR 12 N 0.83 1.48 0.69 -5.08 2.02 -0.72 -3.29 112.91 108.84 1gio h THR 12 Ca 0.00 -2.53 -0.03 0.00 0.77 0.00 0.00 66.41 64.61 1gio h THR 12 Cb 0.38 3.17 0.01 0.00 -1.74 0.00 0.00 68.15 69.97 1gio h THR 12 CO 0.00 0.72 -0.33 1.56 0.37 0.00 0.00 175.52 177.84 1gio h GLN 13 N -0.36 -0.89 0.00 6.66 4.20 -1.38 -3.42 115.11 119.93 1gio h GLN 13 Ca -0.16 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1gio h GLN 13 Cb 1.66 0.20 0.00 0.00 0.30 0.00 0.00 27.48 29.64 1gio h GLN 13 CO 0.15 -0.58 -0.40 0.72 -0.67 0.00 0.00 178.83 178.04 1gio n HIS 14 N -5.39 0.33 -2.33 2.96 8.25 -0.90 -4.92 115.22 113.22 1gio n HIS 14 Ca -0.12 0.14 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 1gio n HIS 14 Cb 0.37 -0.45 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 1gio n HIS 14 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1gio s TYR 15 N -1.86 3.37 0.00 4.41 5.04 -1.24 -3.04 117.35 124.03 1gio s TYR 15 Ca -0.12 1.57 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 1gio s TYR 15 Cb 0.02 -3.44 0.00 0.00 0.35 0.00 0.00 41.96 38.88 1gio s TYR 15 CO 0.17 -1.09 0.00 -0.25 -1.34 0.00 0.00 175.55 173.04 1gio n ASP 16 N 1.17 0.00 -1.94 4.32 9.92 -0.93 -4.50 116.55 124.60 1gio n ASP 16 Ca -0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 1gio n ASP 16 Cb 0.44 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.95 1gio n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gio n ALA 17 N -1.27 -0.77 -3.07 2.24 0.00 -1.19 -4.98 120.51 111.46 1gio n ALA 17 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 1gio n ALA 17 Cb 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 1gio n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1gio n LYS 18 N -2.22 0.67 -2.87 0.00 0.00 -1.26 -4.97 118.16 107.51 1gio n LYS 18 Ca -0.11 -2.77 -0.43 0.00 0.00 0.00 0.00 58.31 55.01 1gio n LYS 18 Cb 0.56 -1.33 -0.04 0.00 0.00 0.00 0.00 35.03 34.22 1gio n LYS 18 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1gio s PRO 19 N -0.48 3.30 -0.70 1.64 0.04 -1.26 -4.89 135.00 132.65 1gio s PRO 19 Ca 0.34 -0.36 0.03 0.00 0.04 0.00 0.00 61.00 61.05 1gio s PRO 19 Cb 0.17 -4.07 0.17 0.00 0.04 0.00 0.00 34.50 30.81 1gio s PRO 19 CO -0.15 -1.47 0.50 0.21 0.04 0.00 0.00 177.00 176.12 1gio s LYS 20 N 3.81 2.52 0.00 4.56 2.36 -1.26 -4.91 119.74 126.82 1gio s LYS 20 Ca 0.28 -3.17 0.00 0.00 -2.55 0.00 0.00 55.97 50.53 1gio s LYS 20 Cb -0.13 -3.51 0.00 0.00 -1.05 0.00 0.00 37.83 33.13 1gio s LYS 20 CO 0.18 -1.25 0.00 0.41 1.55 0.00 0.00 175.35 176.24 1gio n GLY 21 N 2.30 4.20 0.00 5.54 0.00 -1.26 -4.97 105.19 111.01 1gio n GLY 21 Ca 0.17 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1gio n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gio n ARG 22 N -0.62 -0.17 -0.02 1.61 5.12 -1.26 -4.88 116.66 116.43 1gio n ARG 22 Ca 0.00 -0.34 0.00 0.00 -1.93 0.00 0.00 57.85 55.58 1gio n ARG 22 Cb 0.00 -0.83 0.00 0.00 -1.16 0.00 0.00 32.46 30.47 1gio n ARG 22 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1gio n ASN 23 N -0.07 0.00 0.10 0.55 4.13 -1.26 -4.83 115.26 113.88 1gio n ASN 23 Ca 0.00 -0.05 -0.16 0.00 1.68 0.00 0.00 54.58 56.06 1gio n ASN 23 Cb 0.06 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.19 1gio n ASN 23 CO 0.00 0.00 0.00 -2.24 0.28 0.00 0.00 177.26 175.30 1gio h ASP 24 N 0.00 0.48 0.93 6.41 2.03 -1.91 -3.15 116.42 121.21 1gio h ASP 24 Ca 0.00 -0.47 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1gio h ASP 24 Cb 0.00 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.35 1gio h ASP 24 CO 0.00 1.33 0.00 1.21 -1.03 0.00 0.00 179.24 180.75 1gio n GLU 25 N -3.62 0.07 0.07 4.15 2.13 -1.26 -1.98 120.64 120.21 1gio n GLU 25 Ca -0.08 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.61 1gio n GLU 25 Cb 0.96 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 31.09 1gio n GLU 25 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 1gio h TYR 26 N 0.00 -0.20 -0.50 4.31 3.20 -1.89 -2.19 116.97 119.71 1gio h TYR 26 Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1gio h TYR 26 Cb 0.46 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1gio h TYR 26 CO 0.00 0.19 0.14 0.00 -1.64 0.00 0.00 178.16 176.84 1gio h PHE 28 N 0.73 0.88 -0.11 0.00 3.57 -1.48 -1.64 116.94 118.88 1gio h PHE 28 Ca 0.17 -0.47 -0.20 0.00 3.53 0.00 0.00 57.97 60.99 1gio h PHE 28 Cb 0.25 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1gio h PHE 28 CO 0.01 1.29 -0.76 -0.97 -2.23 0.00 0.00 178.31 175.66 1gio h ASN 29 N 0.35 0.71 0.82 0.41 -0.73 -1.26 -2.63 115.58 113.25 1gio h ASN 29 Ca -0.10 -0.47 -0.16 0.00 1.87 0.00 0.00 56.30 57.44 1gio h ASN 29 Cb 1.61 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 39.97 1gio h ASN 29 CO 0.18 1.24 -0.78 0.24 -0.37 0.00 0.00 177.43 177.94 1gio h MET 30 N 0.41 0.00 0.06 6.67 2.86 -1.27 -1.81 114.93 121.85 1gio h MET 30 Ca -0.04 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1gio h MET 30 Cb 1.36 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.99 1gio h MET 30 CO 0.14 0.78 -0.17 1.98 1.06 0.00 0.00 176.91 180.70 1gio h MET 31 N 0.00 -0.31 0.00 1.72 1.85 -1.21 -1.41 114.93 115.57 1gio h MET 31 Ca -0.01 0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.05 1gio h MET 31 Cb 1.40 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 33.49 1gio h MET 31 CO 0.10 -0.20 -0.67 -0.22 -0.40 0.00 0.00 176.91 175.51 1gio h LYS 32 N -0.32 0.00 -0.07 0.39 3.64 -1.45 -2.02 116.57 116.74 1gio h LYS 32 Ca 0.04 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1gio h LYS 32 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1gio h LYS 32 CO -0.12 0.16 -0.30 -0.97 -2.27 0.00 0.00 179.45 175.94 1gio h ASN 33 N 0.00 0.39 0.00 4.20 -0.73 -1.30 -3.45 115.58 114.69 1gio h ASN 33 Ca -0.03 -0.64 -0.05 0.00 1.87 0.00 0.00 56.30 57.44 1gio h ASN 33 Cb 1.19 -0.11 -0.05 0.00 0.27 0.00 0.00 38.32 39.61 1gio h ASN 33 CO 0.02 0.97 -0.12 -2.11 -0.37 0.00 0.00 177.43 175.82 1gio n ARG 34 N -4.44 0.00 -3.22 6.67 1.85 -0.59 -5.06 116.66 111.87 1gio n ARG 34 Ca -0.08 -0.41 -0.05 0.00 -1.00 0.00 0.00 57.85 56.30 1gio n ARG 34 Cb 0.49 0.37 -0.03 0.00 -1.05 0.00 0.00 32.46 32.24 1gio n ARG 34 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1gio s ARG 35 N 0.00 0.80 -0.64 2.89 1.70 -0.76 -4.96 118.95 117.98 1gio s ARG 35 Ca 0.00 -0.57 -0.16 0.00 -0.47 0.00 0.00 55.73 54.53 1gio s ARG 35 Cb 0.00 -0.20 0.02 0.00 -0.57 0.00 0.00 34.95 34.21 1gio s ARG 35 CO 0.00 -1.21 0.64 1.47 -1.08 0.00 0.00 175.30 175.12 1gio n LEU 36 N 4.18 -3.40 0.00 -1.89 -0.00 -1.25 -4.42 117.00 110.22 1gio n LEU 36 Ca 0.12 -0.40 0.00 0.00 -0.00 0.00 0.00 56.01 55.73 1gio n LEU 36 Cb 0.53 -2.03 0.00 0.00 -0.00 0.00 0.00 43.42 41.92 1gio n LEU 36 CO 0.03 -0.25 0.36 0.41 -0.00 0.00 0.00 177.39 177.94 1gio n THR 37 N -1.38 0.00 -2.43 1.47 -1.04 -1.26 -4.71 114.28 104.93 1gio n THR 37 Ca -0.15 1.20 -0.09 0.00 -2.04 0.00 0.00 64.05 62.98 1gio n THR 37 Cb 0.64 -2.16 0.01 0.00 -1.82 0.00 0.00 70.33 67.00 1gio n THR 37 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1gio n ARG 38 N -1.50 -0.53 0.08 -2.82 0.00 -1.26 -2.41 116.66 108.21 1gio n ARG 38 Ca 0.00 0.65 -0.07 0.00 -0.00 0.00 0.00 57.85 58.43 1gio n ARG 38 Cb 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 32.46 31.52 1gio n ARG 38 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1gio h PRO 39 N 2.30 0.06 -0.31 -0.14 0.13 -1.92 -3.37 132.00 128.74 1gio h PRO 39 Ca -0.13 -0.08 0.13 0.00 -0.87 0.00 0.00 66.00 65.06 1gio h PRO 39 Cb 0.76 0.03 -0.18 0.00 0.13 0.00 0.00 31.00 31.74 1gio h PRO 39 CO 0.05 0.96 -0.12 0.00 -0.23 0.00 0.00 178.00 178.66 1gio s LYS 41 N 2.25 2.87 0.17 0.00 1.02 -1.01 -4.94 119.74 120.10 1gio s LYS 41 Ca 0.18 1.62 -0.04 0.00 0.02 0.00 0.00 55.97 57.75 1gio s LYS 41 Cb 0.01 -1.94 0.05 0.00 -0.52 0.00 0.00 37.83 35.43 1gio s LYS 41 CO -0.17 -1.23 1.45 0.38 -0.92 0.00 0.00 175.35 174.86 1gio h ASP 42 N 0.49 0.65 -4.99 2.83 3.04 -1.94 -3.35 116.42 113.15 1gio h ASP 42 Ca -0.49 -0.38 0.04 0.00 -3.24 0.00 0.00 57.03 52.96 1gio h ASP 42 Cb 1.27 -0.19 -0.09 0.00 -1.04 0.00 0.00 39.33 39.28 1gio h ASP 42 CO 0.54 1.12 0.26 0.00 -2.04 0.00 0.00 179.24 179.12 1gio s ARG 43 N -3.87 1.42 -0.27 4.15 3.03 -1.26 -1.50 118.95 120.65 1gio s ARG 43 Ca -0.07 -0.66 -0.24 0.00 2.03 0.00 0.00 55.73 56.79 1gio s ARG 43 Cb 0.11 0.57 0.08 0.00 -1.03 0.00 0.00 34.95 34.67 1gio s ARG 43 CO 0.85 -0.64 0.76 1.21 -1.13 0.00 0.00 175.30 176.36 1gio s ASN 44 N -2.80 -0.73 -0.06 -2.89 2.47 -0.69 -4.99 114.94 105.25 1gio s ASN 44 Ca 0.06 1.37 -0.12 0.00 0.42 0.00 0.00 52.86 54.59 1gio s ASN 44 Cb -0.03 1.38 -0.05 0.00 -1.45 0.00 0.00 41.25 41.10 1gio s ASN 44 CO -0.04 -0.23 0.29 -0.89 -3.72 0.00 0.00 177.10 172.51 1gio s THR 45 N 0.50 5.24 0.07 -5.21 2.01 -1.26 -2.08 115.64 114.91 1gio s THR 45 Ca -0.01 0.57 0.04 0.00 0.31 0.00 0.00 61.69 62.60 1gio s THR 45 Cb -0.05 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1gio s THR 45 CO -0.02 0.59 0.00 -0.36 -0.69 0.00 0.00 174.62 174.13 1gio s PHE 46 N -0.97 3.01 0.05 4.92 0.08 -0.71 -4.53 117.98 119.83 1gio s PHE 46 Ca 0.20 -0.00 0.09 0.00 0.12 0.00 0.00 56.93 57.34 1gio s PHE 46 Cb -0.15 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 1gio s PHE 46 CO 0.09 0.48 -0.26 0.42 -0.10 0.00 0.00 175.22 175.85 1gio s ILE 47 N -1.27 2.11 0.06 0.64 1.01 -1.17 -1.84 121.20 120.74 1gio s ILE 47 Ca 0.25 -1.39 0.05 0.00 0.00 0.00 0.00 60.65 59.55 1gio s ILE 47 Cb -0.12 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1gio s ILE 47 CO 0.17 0.34 -0.15 -1.00 0.00 0.00 0.00 174.94 174.31 1gio s HIS 48 N -0.82 1.25 -5.00 3.97 3.76 -0.13 -2.18 115.29 116.14 1gio s HIS 48 Ca 0.12 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 1gio s HIS 48 Cb -0.10 -0.72 0.00 0.00 1.11 0.00 0.00 32.58 32.87 1gio s HIS 48 CO 0.02 0.06 0.00 0.41 -0.85 0.00 0.00 174.74 174.38 1gio n GLY 49 N 1.49 -1.29 3.78 -2.22 0.00 -1.26 -2.12 105.19 103.57 1gio n GLY 49 Ca -0.20 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 1gio n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gio s ASN 50 N -2.00 7.37 0.20 1.61 -0.87 -1.26 -4.83 114.94 115.16 1gio s ASN 50 Ca 0.00 1.73 -0.04 0.00 -1.57 0.00 0.00 52.86 52.99 1gio s ASN 50 Cb 0.00 -2.54 0.14 0.00 -0.02 0.00 0.00 41.25 38.83 1gio s ASN 50 CO 0.00 0.08 1.55 0.50 -2.57 0.00 0.00 177.10 176.65 1gio h LYS 51 N 3.74 0.64 0.00 -0.60 3.11 -1.99 -1.92 116.57 119.56 1gio h LYS 51 Ca -0.47 -0.35 -0.06 0.00 -2.81 0.00 0.00 60.65 56.97 1gio h LYS 51 Cb 1.20 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.43 1gio h LYS 51 CO 0.66 0.95 -0.29 -0.97 -2.81 0.00 0.00 179.45 176.99 1gio h ASN 52 N 0.52 0.00 0.80 4.20 -0.73 -1.99 -2.31 115.58 116.07 1gio h ASN 52 Ca 0.04 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 57.98 1gio h ASN 52 Cb 0.96 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.54 1gio h ASN 52 CO 0.09 0.29 -1.04 -0.78 -0.37 0.00 0.00 177.43 175.62 1gio h ASP 53 N 0.00 0.18 -0.40 1.15 3.58 -1.76 -2.14 116.42 117.02 1gio h ASP 53 Ca -0.00 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 1gio h ASP 53 Cb 0.72 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 1gio h ASP 53 CO 0.04 1.10 0.21 0.40 -2.88 0.00 0.00 179.24 178.11 1gio h ILE 54 N 0.04 1.16 -0.52 2.25 5.03 -1.03 -2.52 117.51 121.92 1gio h ILE 54 Ca -0.05 -0.44 -0.03 0.00 -0.12 0.00 0.00 64.86 64.22 1gio h ILE 54 Cb 1.77 0.71 -0.02 0.00 -3.03 0.00 0.00 36.82 36.25 1gio h ILE 54 CO 0.15 0.17 0.20 0.50 -0.68 0.00 0.00 178.15 178.50 1gio h LYS 55 N 0.52 0.78 -0.97 2.37 3.64 -1.42 -2.51 116.57 118.97 1gio h LYS 55 Ca 0.14 -0.14 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1gio h LYS 55 Cb 0.08 -0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 31.68 1gio h LYS 55 CO -0.02 0.69 0.21 0.00 -2.27 0.00 0.00 179.45 178.06 1gio n ALA 56 N -2.34 3.60 0.09 5.00 0.00 -0.81 -2.31 120.51 123.73 1gio n ALA 56 Ca 0.02 -1.06 -0.12 0.00 0.00 0.00 0.00 53.44 52.28 1gio n ALA 56 Cb 0.16 -1.15 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 1gio n ALA 56 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1gio h ILE 57 N 0.58 1.50 -1.43 0.00 2.04 -0.99 -3.32 117.51 115.88 1gio h ILE 57 Ca 0.21 -2.81 -0.69 0.00 1.00 0.00 0.00 64.86 62.57 1gio h ILE 57 Cb 1.62 2.65 -0.27 0.00 -0.74 0.00 0.00 36.82 40.09 1gio h ILE 57 CO 0.39 0.82 0.91 0.00 0.00 0.00 0.00 178.15 180.28 1gio h GLU 59 N 2.49 -0.24 0.00 0.00 4.57 -1.76 -3.44 114.58 116.21 1gio h GLU 59 Ca 0.56 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.76 1gio h GLU 59 Cb 0.45 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1gio h GLU 59 CO 1.44 -0.16 0.00 -0.25 -1.18 0.00 0.00 179.01 178.86 1gio n ASP 60 N -4.42 0.00 -0.11 1.04 8.00 -1.26 -4.88 116.55 114.92 1gio n ASP 60 Ca -0.03 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.33 1gio n ASP 60 Cb 0.10 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.09 1gio n ASP 60 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1gio n ARG 61 N 0.00 0.68 -0.25 -1.24 3.00 -1.26 -2.57 116.66 115.03 1gio n ARG 61 Ca 0.00 0.10 0.09 0.00 -0.01 0.00 0.00 57.85 58.03 1gio n ARG 61 Cb 0.00 -1.45 0.24 0.00 0.00 0.00 0.00 32.46 31.25 1gio n ARG 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1gio n ASN 62 N -3.05 2.73 0.00 0.55 2.85 -1.26 -4.33 115.26 112.75 1gio n ASN 62 Ca -0.37 -1.98 0.00 0.00 -0.11 0.00 0.00 54.58 52.11 1gio n ASN 62 Cb 0.95 -0.33 0.00 0.00 1.24 0.00 0.00 39.78 41.65 1gio n ASN 62 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1gio n GLY 63 N 1.32 0.66 0.00 8.20 0.00 -1.14 -3.24 105.19 110.99 1gio n GLY 63 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1gio n GLY 63 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gio n GLN 64 N 0.00 0.00 -2.81 1.61 6.02 -0.62 -3.70 117.38 117.88 1gio n GLN 64 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1gio n GLN 64 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 1gio n GLN 64 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1gio s PRO 65 N -2.00 4.40 0.50 -1.09 0.04 -1.26 -1.45 135.00 134.14 1gio s PRO 65 Ca 0.00 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.24 1gio s PRO 65 Cb 0.00 -3.53 0.01 0.00 0.04 0.00 0.00 34.50 31.03 1gio s PRO 65 CO 0.00 -0.23 0.72 -0.47 0.04 0.00 0.00 177.00 177.06 1gio s TYR 66 N 1.75 3.04 -0.02 0.56 5.04 -0.32 -4.71 117.35 122.70 1gio s TYR 66 Ca 0.44 0.12 -0.30 0.00 -2.44 0.00 0.00 57.07 54.88 1gio s TYR 66 Cb -0.18 -2.54 -0.04 0.00 0.35 0.00 0.00 41.96 39.56 1gio s TYR 66 CO 0.17 -0.62 1.14 -0.98 -1.34 0.00 0.00 175.55 173.93 1gio s ARG 67 N -4.66 4.42 0.00 4.97 1.70 -1.26 -2.30 118.95 121.82 1gio s ARG 67 Ca 0.53 1.62 0.00 0.00 -0.47 0.00 0.00 55.73 57.41 1gio s ARG 67 Cb -0.10 -3.48 0.00 0.00 -0.57 0.00 0.00 34.95 30.80 1gio s ARG 67 CO 0.38 -0.31 0.00 0.41 -1.08 0.00 0.00 175.30 174.70 1gio n GLY 68 N 3.22 1.20 2.75 3.88 0.00 -1.26 -4.26 105.19 110.71 1gio n GLY 68 Ca 0.09 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1gio n GLY 68 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gio n ASP 69 N 0.30 -2.45 -4.83 1.61 2.03 -1.20 -5.06 116.55 106.96 1gio n ASP 69 Ca 0.00 -0.45 -0.25 0.00 0.52 0.00 0.00 54.79 54.60 1gio n ASP 69 Cb 0.03 -3.84 -0.04 0.00 -0.72 0.00 0.00 41.12 36.55 1gio n ASP 69 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1gio s LEU 70 N -5.08 2.94 0.10 -2.67 2.01 -0.97 -4.48 118.68 110.53 1gio s LEU 70 Ca 0.04 -1.13 0.10 0.00 0.01 0.00 0.00 54.13 53.15 1gio s LEU 70 Cb -0.01 -1.39 -0.04 0.00 0.01 0.00 0.00 46.19 44.77 1gio s LEU 70 CO 0.53 -0.81 -0.26 -0.13 1.01 0.00 0.00 176.35 176.69 1gio s ARG 71 N -4.09 1.45 -0.11 1.70 1.81 -0.32 -1.17 118.95 118.23 1gio s ARG 71 Ca 0.37 -1.26 0.01 0.00 -1.72 0.00 0.00 55.73 53.13 1gio s ARG 71 Cb 0.00 -1.84 -0.01 0.00 -0.45 0.00 0.00 34.95 32.65 1gio s ARG 71 CO 0.21 0.45 -0.15 -1.50 -0.68 0.00 0.00 175.30 173.62 1gio s ILE 72 N -1.00 2.86 0.65 1.52 -1.16 -0.53 -1.48 121.20 122.06 1gio s ILE 72 Ca 0.12 -0.74 -0.11 0.00 -0.51 0.00 0.00 60.65 59.41 1gio s ILE 72 Cb -0.10 -2.17 -0.02 0.00 0.61 0.00 0.00 42.46 40.78 1gio s ILE 72 CO 0.05 0.54 1.04 -0.94 -2.81 0.00 0.00 174.94 172.83 1gio s SER 73 N 0.12 5.88 -0.06 4.50 1.04 -0.67 -1.59 113.70 122.92 1gio s SER 73 Ca -0.08 1.46 -0.01 0.00 0.48 0.00 0.00 55.95 57.80 1gio s SER 73 Cb -0.15 -2.44 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 1gio s SER 73 CO 0.05 -1.10 0.07 0.50 0.98 0.00 0.00 173.24 173.74 1gio h LYS 74 N -0.48 -0.05 -6.54 4.02 1.63 -1.63 -3.44 116.57 110.09 1gio h LYS 74 Ca -0.44 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 58.84 1gio h LYS 74 Cb 1.20 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.81 1gio h LYS 74 CO 0.60 -0.03 0.01 -1.12 -3.45 0.00 0.00 179.45 175.47 1gio s SER 75 N -4.65 6.82 0.02 4.20 0.01 -1.26 -4.93 113.70 113.90 1gio s SER 75 Ca -0.01 1.19 -0.30 0.00 1.31 0.00 0.00 55.95 58.14 1gio s SER 75 Cb 0.00 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1gio s SER 75 CO 0.02 -0.06 1.15 -1.61 0.41 0.00 0.00 173.24 173.15 1gio s GLU 76 N -2.49 4.44 0.02 12.44 2.02 -1.26 -4.62 118.70 129.24 1gio s GLU 76 Ca 0.47 1.66 -0.04 0.00 0.02 0.00 0.00 54.97 57.08 1gio s GLU 76 Cb -0.13 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 1gio s GLU 76 CO 0.19 -0.26 0.23 -0.06 0.02 0.00 0.00 175.26 175.38 1gio s PHE 77 N 1.36 3.55 -0.43 1.61 0.40 -0.83 -4.82 117.98 118.83 1gio s PHE 77 Ca 0.56 0.43 -0.19 0.00 -0.60 0.00 0.00 56.93 57.13 1gio s PHE 77 Cb -0.26 -1.89 0.02 0.00 0.51 0.00 0.00 43.02 41.40 1gio s PHE 77 CO 0.27 0.61 0.55 -0.65 0.70 0.00 0.00 175.22 176.70 1gio s GLN 78 N -2.00 3.22 -0.11 0.44 1.11 -0.90 -1.89 119.66 119.53 1gio s GLN 78 Ca 0.29 -0.52 -0.03 0.00 0.01 0.00 0.00 55.36 55.11 1gio s GLN 78 Cb -0.13 -3.95 -0.03 0.00 -1.01 0.00 0.00 33.01 27.89 1gio s GLN 78 CO 0.19 -0.92 0.01 0.96 0.01 0.00 0.00 175.29 175.54 1gio s ILE 79 N 2.50 4.35 -0.37 1.08 -4.36 -0.13 -0.96 121.20 123.32 1gio s ILE 79 Ca 0.18 -0.22 -0.06 0.00 -0.26 0.00 0.00 60.65 60.29 1gio s ILE 79 Cb -0.15 -2.86 0.07 0.00 1.25 0.00 0.00 42.46 40.76 1gio s ILE 79 CO 0.16 0.57 0.15 -0.89 0.24 0.00 0.00 174.94 175.18 1gio s THR 80 N -0.57 3.68 -0.36 8.37 2.01 -0.77 -1.40 115.64 126.60 1gio s THR 80 Ca 0.10 -1.43 -0.24 0.00 0.31 0.00 0.00 61.69 60.43 1gio s THR 80 Cb -0.12 -3.22 0.01 0.00 0.01 0.00 0.00 72.50 69.19 1gio s THR 80 CO 0.02 -0.36 0.82 -0.63 -0.69 0.00 0.00 174.62 173.78 1gio s ILE 81 N 1.33 4.70 -0.48 1.82 -1.09 -0.88 -1.74 121.20 124.87 1gio s ILE 81 Ca 0.01 0.96 -0.18 0.00 -2.23 0.00 0.00 60.65 59.21 1gio s ILE 81 Cb -0.21 -4.24 0.05 0.00 -1.58 0.00 0.00 42.46 36.48 1gio s ILE 81 CO 0.01 -0.45 0.55 0.00 -1.23 0.00 0.00 174.94 173.82 1gio s LYS 83 N 2.39 2.34 0.23 0.00 2.20 -0.82 -1.71 119.74 124.37 1gio s LYS 83 Ca 0.13 -0.73 -0.31 0.00 -0.36 0.00 0.00 55.97 54.70 1gio s LYS 83 Cb -0.19 -2.33 -0.11 0.00 -1.51 0.00 0.00 37.83 33.69 1gio s LYS 83 CO 0.12 -0.31 1.64 -1.58 -0.36 0.00 0.00 175.35 174.86 1gio s HIS 84 N 1.40 2.88 0.00 4.03 5.65 -0.56 -0.43 115.29 128.26 1gio s HIS 84 Ca 0.02 0.57 0.00 0.00 0.25 0.00 0.00 55.06 55.90 1gio s HIS 84 Cb -0.14 -4.07 0.00 0.00 -1.18 0.00 0.00 32.58 27.19 1gio s HIS 84 CO -0.10 -3.86 0.00 1.17 -0.65 0.00 0.00 174.74 171.30 1gio n LYS 85 N 3.28 2.01 -2.42 2.88 0.00 -1.25 -4.75 118.16 117.91 1gio n LYS 85 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 58.03 1gio n LYS 85 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.36 1gio n LYS 85 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1gio s GLY 86 N -1.15 3.01 0.00 3.14 0.00 -1.26 -4.83 107.32 106.23 1gio s GLY 86 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1gio s GLY 86 CO 0.00 1.60 0.00 0.61 0.00 0.00 0.00 173.10 175.31 1gio n GLY 87 N 1.26 -0.31 3.56 0.20 0.00 -1.26 -4.96 105.19 103.69 1gio n GLY 87 Ca -0.00 0.43 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 1gio n GLY 87 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gio s SER 88 N -4.00 -0.46 0.06 1.61 0.15 -1.14 -5.04 113.70 104.88 1gio s SER 88 Ca 0.00 -0.20 -0.17 0.00 0.70 0.00 0.00 55.95 56.29 1gio s SER 88 Cb 0.00 0.64 -0.16 0.00 -1.71 0.00 0.00 66.02 64.79 1gio s SER 88 CO 0.00 -1.08 1.27 0.77 1.20 0.00 0.00 173.24 175.40 1gio h SER 89 N 2.00 0.68 -4.43 5.45 4.64 -1.89 -3.38 113.55 116.62 1gio h SER 89 Ca -0.29 -0.61 -0.47 0.00 -0.47 0.00 0.00 61.79 59.95 1gio h SER 89 Cb 1.29 -0.20 0.09 0.00 -0.31 0.00 0.00 62.40 63.27 1gio h SER 89 CO 0.33 1.17 0.37 -0.13 -0.87 0.00 0.00 176.83 177.70 1gio s ARG 90 N -3.81 2.04 0.23 4.77 0.52 -1.26 -3.96 118.95 117.47 1gio s ARG 90 Ca -0.12 0.04 -0.30 0.00 -0.52 0.00 0.00 55.73 54.83 1gio s ARG 90 Cb 0.06 -2.00 -0.09 0.00 0.52 0.00 0.00 34.95 33.44 1gio s ARG 90 CO 0.84 -1.50 1.27 -2.14 0.02 0.00 0.00 175.30 173.78 1gio s PRO 91 N -5.50 4.42 -0.11 3.54 0.02 -1.26 -3.62 135.00 132.49 1gio s PRO 91 Ca 0.61 2.03 -0.26 0.00 0.02 0.00 0.00 61.00 63.40 1gio s PRO 91 Cb -0.11 -3.18 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 1gio s PRO 91 CO 0.48 -0.17 0.86 -1.25 -0.33 0.00 0.00 177.00 176.60 1gio s PRO 92 N -0.58 4.39 0.00 5.54 0.04 -1.26 -5.03 135.00 138.09 1gio s PRO 92 Ca 0.53 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1gio s PRO 92 Cb -0.36 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1gio s PRO 92 CO 0.41 -0.21 0.00 0.00 0.04 0.00 0.00 177.00 177.24 1gio n ARG 94 N -0.46 -5.01 -3.24 0.00 1.74 -1.26 -4.22 116.66 104.22 1gio n ARG 94 Ca 0.00 3.60 -0.20 0.00 -0.77 0.00 0.00 57.85 60.48 1gio n ARG 94 Cb 0.00 -3.83 0.02 0.00 -1.02 0.00 0.00 32.46 27.63 1gio n ARG 94 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1gio s TYR 95 N -0.46 2.03 -0.41 -1.55 1.51 -1.26 -3.83 117.35 113.38 1gio s TYR 95 Ca 0.00 -0.62 -0.07 0.00 -1.01 0.00 0.00 57.07 55.38 1gio s TYR 95 Cb 0.00 -2.21 0.09 0.00 -0.11 0.00 0.00 41.96 39.73 1gio s TYR 95 CO 0.00 -0.69 0.23 0.20 -1.11 0.00 0.00 175.55 174.18 1gio s GLY 96 N -4.44 1.96 -0.24 0.71 0.00 0.42 -4.71 107.32 101.03 1gio s GLY 96 Ca 0.54 -2.25 -0.28 0.00 0.00 0.00 0.00 44.72 42.73 1gio s GLY 96 CO 0.33 0.97 0.99 0.00 0.00 0.00 0.00 173.10 175.39 1gio s ALA 97 N 1.33 3.67 -0.30 3.20 0.00 -1.26 -1.94 121.76 126.46 1gio s ALA 97 Ca 0.04 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.12 1gio s ALA 97 Cb -0.23 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 19.47 1gio s ALA 97 CO -0.00 -1.04 -0.02 0.99 0.00 0.00 0.00 175.76 175.69 1gio s THR 98 N 3.14 2.37 -0.01 0.00 2.01 -0.43 -4.91 115.64 117.80 1gio s THR 98 Ca 0.42 -1.91 -0.18 0.00 0.31 0.00 0.00 61.69 60.33 1gio s THR 98 Cb -0.15 -2.54 -0.06 0.00 0.01 0.00 0.00 72.50 69.76 1gio s THR 98 CO 0.07 -0.29 0.51 -1.61 -0.69 0.00 0.00 174.62 172.60 1gio s GLU 99 N 1.04 4.18 0.06 4.92 8.01 -1.26 -2.07 118.70 133.58 1gio s GLU 99 Ca 0.00 0.58 -0.07 0.00 0.01 0.00 0.00 54.97 55.49 1gio s GLU 99 Cb -0.20 -3.30 -0.01 0.00 -4.31 0.00 0.00 34.13 26.32 1gio s GLU 99 CO -0.06 0.49 0.14 0.34 0.01 0.00 0.00 175.26 176.18 1gio s ASP 100 N -0.52 0.16 -0.33 -0.19 2.15 -0.49 -5.00 116.67 112.45 1gio s ASP 100 Ca 0.27 -0.60 0.02 0.00 0.43 0.00 0.00 52.55 52.67 1gio s ASP 100 Cb -0.17 0.29 0.10 0.00 -0.30 0.00 0.00 42.92 42.83 1gio s ASP 100 CO 0.15 -0.62 0.06 -0.94 -0.17 0.00 0.00 175.17 173.65 1gio s SER 101 N -2.53 4.50 0.13 -0.34 1.04 -1.26 -0.95 113.70 114.29 1gio s SER 101 Ca 0.01 -1.95 -0.14 0.00 0.48 0.00 0.00 55.95 54.34 1gio s SER 101 Cb 0.03 -1.37 0.02 0.00 0.10 0.00 0.00 66.02 64.80 1gio s SER 101 CO -0.08 -0.38 0.37 -0.13 0.98 0.00 0.00 173.24 173.99 1gio s ARG 102 N 1.15 1.07 0.42 4.02 1.81 -0.79 -4.90 118.95 121.72 1gio s ARG 102 Ca 0.10 -0.81 -0.25 0.00 -1.72 0.00 0.00 55.73 53.05 1gio s ARG 102 Cb -0.18 0.45 -0.08 0.00 -0.45 0.00 0.00 34.95 34.68 1gio s ARG 102 CO -0.14 -0.41 1.19 0.14 -0.68 0.00 0.00 175.30 175.40 1gio s VAL 103 N -3.83 3.06 0.38 3.52 -7.23 -1.26 -1.96 120.40 113.08 1gio s VAL 103 Ca 0.05 0.88 0.08 0.00 -1.81 0.00 0.00 61.98 61.17 1gio s VAL 103 Cb 0.02 -3.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 1gio s VAL 103 CO -0.10 0.06 0.18 0.27 -0.31 0.00 0.00 175.10 175.20 1gio s ILE 104 N -1.43 2.64 -0.13 -0.62 -4.36 -1.26 -4.92 121.20 111.13 1gio s ILE 104 Ca 0.59 -1.67 -0.00 0.00 -0.26 0.00 0.00 60.65 59.30 1gio s ILE 104 Cb -0.31 -2.98 -0.02 0.00 1.25 0.00 0.00 42.46 40.40 1gio s ILE 104 CO 0.39 -0.08 -0.13 0.68 0.24 0.00 0.00 174.94 176.04 1gio s VAL 105 N -2.51 3.10 0.48 8.37 -7.23 -1.26 -1.67 120.40 119.68 1gio s VAL 105 Ca 0.40 -0.65 0.02 0.00 -1.81 0.00 0.00 61.98 59.95 1gio s VAL 105 Cb 0.00 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 1gio s VAL 105 CO 0.23 0.52 0.01 0.68 -0.31 0.00 0.00 175.10 176.24 1gio s VAL 106 N 0.32 1.27 0.05 1.32 -7.23 -0.55 -2.31 120.40 113.27 1gio s VAL 106 Ca -0.10 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.08 1gio s VAL 106 Cb -0.16 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 1gio s VAL 106 CO 0.05 0.00 -0.06 -0.83 -0.31 0.00 0.00 175.10 173.95 1gio s GLY 107 N -3.82 0.48 0.09 2.32 0.00 -0.94 -1.17 107.32 104.27 1gio s GLY 107 Ca 0.13 -0.86 0.06 0.00 0.00 0.00 0.00 44.72 44.04 1gio s GLY 107 CO 0.07 -0.93 -0.05 0.00 0.00 0.00 0.00 173.10 172.18 1gio s GLU 109 N -2.16 0.34 0.00 0.00 -6.30 -0.83 -4.85 118.70 104.90 1gio s GLU 109 Ca 0.23 -0.40 0.00 0.00 -2.50 0.00 0.00 54.97 52.30 1gio s GLU 109 Cb -0.11 0.13 0.00 0.00 0.00 0.00 0.00 34.13 34.15 1gio s GLU 109 CO 0.15 -0.07 0.00 0.09 0.02 0.00 0.00 175.26 175.45 1gio n ASN 110 N 1.80 0.00 0.00 -1.70 3.02 -1.26 -2.38 115.26 114.74 1gio n ASN 110 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1gio n ASN 110 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1gio n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gio n GLY 111 N 0.00 1.15 3.17 7.41 0.00 -1.26 -5.13 105.19 110.53 1gio n GLY 111 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1gio n GLY 111 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1gio s LEU 112 N 0.00 1.81 -0.21 0.99 2.34 -1.00 -4.81 118.68 117.80 1gio s LEU 112 Ca 0.00 -0.89 -0.24 0.00 0.06 0.00 0.00 54.13 53.05 1gio s LEU 112 Cb 0.00 0.64 -0.01 0.00 -0.56 0.00 0.00 46.19 46.25 1gio s LEU 112 CO 0.00 -0.70 0.80 -2.16 -1.06 0.00 0.00 176.35 173.23 1gio s PRO 113 N -3.93 4.23 -0.03 1.48 0.04 -1.26 -1.96 135.00 133.57 1gio s PRO 113 Ca 0.10 0.92 0.07 0.00 0.04 0.00 0.00 61.00 62.13 1gio s PRO 113 Cb 0.06 -3.61 -0.11 0.00 0.04 0.00 0.00 34.50 30.89 1gio s PRO 113 CO -0.07 -0.40 0.12 1.33 0.04 0.00 0.00 177.00 178.02 1gio n VAL 114 N 4.97 0.14 -4.27 -0.36 0.24 -0.75 -4.91 118.33 113.39 1gio n VAL 114 Ca 0.04 -0.21 -0.26 0.00 -2.04 0.00 0.00 64.34 61.87 1gio n VAL 114 Cb 0.48 -0.01 -0.09 0.00 -1.47 0.00 0.00 33.84 32.75 1gio n VAL 114 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1gio s HIS 115 N -2.41 2.70 -0.05 6.34 5.65 -0.76 -4.84 115.29 121.92 1gio s HIS 115 Ca -0.03 -0.20 0.00 0.00 0.25 0.00 0.00 55.06 55.09 1gio s HIS 115 Cb 0.04 -1.30 0.03 0.00 -1.18 0.00 0.00 32.58 30.16 1gio s HIS 115 CO 0.30 0.53 -0.02 0.12 -0.65 0.00 0.00 174.74 175.03 1gio s PHE 116 N -1.79 0.58 -0.08 3.88 5.36 -1.26 -2.22 117.98 122.44 1gio s PHE 116 Ca 0.26 -0.12 -0.05 0.00 -0.96 0.00 0.00 56.93 56.07 1gio s PHE 116 Cb -0.09 -0.62 -0.04 0.00 -0.34 0.00 0.00 43.02 41.94 1gio s PHE 116 CO 0.17 -0.21 0.12 -0.51 -1.46 0.00 0.00 175.22 173.33 1gio s ASP 117 N 1.25 6.10 -0.50 6.13 1.01 -0.98 -4.97 116.67 124.71 1gio s ASP 117 Ca -0.06 0.35 0.08 0.00 0.71 0.00 0.00 52.55 53.63 1gio s ASP 117 Cb -0.13 -1.90 0.33 0.00 1.01 0.00 0.00 42.92 42.22 1gio s ASP 117 CO -0.02 0.36 0.83 -1.84 0.21 0.00 0.00 175.17 174.71 1gio n GLU 118 N 1.72 2.25 0.00 8.23 -0.00 -1.26 -4.30 120.64 127.28 1gio n GLU 118 Ca -0.17 -4.24 0.00 0.00 -0.00 0.00 0.00 57.16 52.75 1gio n GLU 118 Cb 0.54 -2.00 0.00 0.00 -0.00 0.00 0.00 31.44 29.98 1gio n GLU 118 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1gio n SER 119 N 0.15 1.70 -4.67 -1.84 7.64 -1.26 -5.04 113.62 110.29 1gio n SER 119 Ca 0.28 -0.30 -0.42 0.00 1.01 0.00 0.00 58.87 59.44 1gio n SER 119 Cb 0.49 0.94 -0.03 0.00 -1.01 0.00 0.00 64.21 64.60 1gio n SER 119 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1gio s PHE 120 N -1.28 2.72 -0.01 1.43 5.36 -1.26 -5.02 117.98 119.92 1gio s PHE 120 Ca 0.00 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 56.78 1gio s PHE 120 Cb 0.00 -3.63 0.01 0.00 -0.34 0.00 0.00 43.02 39.07 1gio s PHE 120 CO 0.00 -2.32 0.00 0.96 -1.46 0.00 0.00 175.22 172.40 1gio s ILE 121 N 3.07 0.06 -0.19 3.12 -4.36 -1.26 -5.03 121.20 116.61 1gio s ILE 121 Ca 0.62 0.06 0.21 0.00 -0.26 0.00 0.00 60.65 61.27 1gio s ILE 121 Cb -0.28 -0.12 0.45 0.00 1.25 0.00 0.00 42.46 43.76 1gio s ILE 121 CO 0.22 0.07 1.18 1.07 0.24 0.00 0.00 174.94 177.72 1gio n THR 122 N 3.60 0.73 0.93 8.37 5.66 -1.26 -4.88 114.28 127.43 1gio n THR 122 Ca -0.20 -2.05 -0.00 0.00 -3.05 0.00 0.00 64.05 58.75 1gio n THR 122 Cb 0.55 1.15 0.01 0.00 -1.55 0.00 0.00 70.33 70.49 1gio n THR 122 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1gio n PRO 123 N -0.43 1.11 -0.09 1.09 -0.02 -1.26 -3.39 135.00 132.02 1gio n PRO 123 Ca 0.02 -0.11 -0.09 0.00 -2.02 0.00 0.00 63.50 61.29 1gio n PRO 123 Cb 0.89 -1.39 -0.13 0.00 -0.02 0.00 0.00 33.50 32.85 1gio n PRO 123 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1gio n ARG 124 N 0.14 1.12 0.00 -0.52 1.74 -1.26 -5.37 116.66 112.51 1gio n ARG 124 Ca 0.01 0.01 0.15 0.00 -0.77 0.00 0.00 57.85 57.25 1gio n ARG 124 Cb 0.36 -1.44 0.66 0.00 -1.02 0.00 0.00 32.46 31.01 1gio n ARG 124 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83