#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kol s VAL 8 N 0.00 5.37 0.39 -3.33 1.01 -1.26 -5.07 120.40 117.51 3kol s VAL 8 Ca 0.00 0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 3kol s VAL 8 Cb 0.00 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 3kol s VAL 8 CO 0.00 0.37 1.17 0.20 0.00 0.00 0.00 175.10 176.85 3kol s ASN 9 N 0.80 6.57 0.43 3.32 0.01 -1.26 -5.00 114.94 119.83 3kol s ASN 9 Ca 0.09 2.36 -0.24 0.00 -0.71 0.00 0.00 52.86 54.36 3kol s ASN 9 Cb -0.13 -2.62 -0.08 0.00 0.41 0.00 0.00 41.25 38.84 3kol s ASN 9 CO 0.02 -0.64 1.14 -0.44 -1.51 0.00 0.00 177.10 175.67 3kol s SER 10 N -1.08 6.40 0.05 -1.22 0.01 -1.26 -5.04 113.70 111.56 3kol s SER 10 Ca 0.56 2.25 -0.02 0.00 1.31 0.00 0.00 55.95 60.06 3kol s SER 10 Cb -0.31 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.28 3kol s SER 10 CO 0.39 -0.76 -0.01 0.68 0.41 0.00 0.00 173.24 173.95 3kol s VAL 11 N -1.54 0.21 0.43 3.43 -7.23 -1.26 -5.14 120.40 109.30 3kol s VAL 11 Ca 0.61 -1.74 -0.22 0.00 -1.81 0.00 0.00 61.98 58.82 3kol s VAL 11 Cb -0.28 -1.47 -0.10 0.00 0.56 0.00 0.00 36.38 35.10 3kol s VAL 11 CO 0.34 -0.96 1.00 -0.76 -0.31 0.00 0.00 175.10 174.41 3kol s LEU 12 N -2.87 3.99 0.35 1.32 1.43 -1.26 -5.04 118.68 116.60 3kol s LEU 12 Ca 0.06 1.87 -0.05 0.00 -1.03 0.00 0.00 54.13 54.98 3kol s LEU 12 Cb 0.07 -4.42 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 3kol s LEU 12 CO -0.10 -0.51 0.63 0.00 0.23 0.00 0.00 176.35 176.61 3kol s ALA 13 N -1.94 3.55 0.22 4.21 0.00 -1.26 -5.01 121.76 121.53 3kol s ALA 13 Ca 0.62 -0.54 -0.31 0.00 0.00 0.00 0.00 51.96 51.72 3kol s ALA 13 Cb -0.15 -2.39 -0.11 0.00 0.00 0.00 0.00 23.12 20.46 3kol s ALA 13 CO 0.20 0.06 1.66 -1.25 0.00 0.00 0.00 175.76 176.42 3kol s PRO 14 N -3.92 4.15 0.00 0.00 0.04 -1.26 -1.86 135.00 132.15 3kol s PRO 14 Ca 0.45 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.03 3kol s PRO 14 Cb -0.10 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.36 3kol s PRO 14 CO 0.34 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.10 3kol n GLY 15 N 3.50 2.51 0.07 0.56 0.00 -1.26 -4.94 105.19 105.63 3kol n GLY 15 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 3kol n GLY 15 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kol h ASN 16 N 0.38 -0.08 -2.01 1.61 2.35 -1.76 -3.14 115.58 112.93 3kol h ASN 16 Ca 0.00 0.02 -0.59 0.00 -0.55 0.00 0.00 56.30 55.17 3kol h ASN 16 Cb 0.00 0.04 -0.11 0.00 0.05 0.00 0.00 38.32 38.30 3kol h ASN 16 CO 0.00 -0.04 1.09 -0.76 -1.65 0.00 0.00 177.43 176.07 3kol s LEU 17 N -10.24 3.71 0.36 1.61 1.43 -1.26 -4.84 118.68 109.44 3kol s LEU 17 Ca -0.13 -1.06 0.17 0.00 -1.03 0.00 0.00 54.13 52.08 3kol s LEU 17 Cb 0.07 -2.52 0.66 0.00 0.03 0.00 0.00 46.19 44.43 3kol s LEU 17 CO 0.66 -1.57 1.73 0.08 0.23 0.00 0.00 176.35 177.49 3kol h ARG 18 N 9.73 0.00 -2.07 1.70 0.11 -1.97 -3.48 114.38 118.41 3kol h ARG 18 Ca -0.07 0.00 0.23 0.00 0.10 0.00 0.00 59.98 60.23 3kol h ARG 18 Cb 1.04 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.03 3kol h ARG 18 CO 1.29 0.41 0.61 -1.59 0.10 0.00 0.00 179.97 180.79 3kol s LYS 19 N -3.69 0.94 -0.33 0.08 -2.85 -1.26 -5.08 119.74 107.55 3kol s LYS 19 Ca -0.01 -0.53 -0.21 0.00 -1.00 0.00 0.00 55.97 54.22 3kol s LYS 19 Cb 0.12 0.31 -0.00 0.00 -2.06 0.00 0.00 37.83 36.20 3kol s LYS 19 CO 0.70 -0.43 0.66 0.08 0.10 0.00 0.00 175.35 176.46 3kol s VAL 20 N -2.88 4.89 -0.03 1.79 1.01 -1.26 -4.93 120.40 118.99 3kol s VAL 20 Ca 0.14 0.81 -0.21 0.00 0.00 0.00 0.00 61.98 62.73 3kol s VAL 20 Cb 0.01 -4.06 -0.30 0.00 0.00 0.00 0.00 36.38 32.02 3kol s VAL 20 CO 0.01 -0.23 0.95 -0.74 0.00 0.00 0.00 175.10 175.08 3kol h HIS 21 N 8.29 0.62 -2.33 5.22 2.76 -1.96 -3.45 115.15 124.29 3kol h HIS 21 Ca -0.26 -0.43 0.04 0.00 -2.20 0.00 0.00 60.37 57.53 3kol h HIS 21 Cb 1.11 -0.03 -0.16 0.00 1.55 0.00 0.00 27.41 29.88 3kol h HIS 21 CO 0.76 1.31 0.37 -3.38 -1.30 0.00 0.00 177.93 175.70 3kol s HIS 22 N -2.60 -0.45 -0.10 5.26 -3.43 -1.26 -2.42 115.29 110.28 3kol s HIS 22 Ca -0.13 0.45 0.04 0.00 -0.80 0.00 0.00 55.06 54.62 3kol s HIS 22 Cb 0.02 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.68 3kol s HIS 22 CO 0.84 -0.61 -0.21 -1.50 -2.00 0.00 0.00 174.74 171.26 3kol s ILE 23 N -2.70 1.87 -0.08 -5.38 2.07 -0.59 -4.98 121.20 111.41 3kol s ILE 23 Ca 0.00 -0.91 -0.01 0.00 -1.41 0.00 0.00 60.65 58.32 3kol s ILE 23 Cb -0.01 -1.63 -0.03 0.00 0.13 0.00 0.00 42.46 40.92 3kol s ILE 23 CO -0.06 0.52 -0.01 0.00 -1.91 0.00 0.00 174.94 173.48 3kol s ALA 24 N 0.45 3.23 0.05 1.50 0.00 -1.26 -1.48 121.76 124.25 3kol s ALA 24 Ca -0.17 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.04 3kol s ALA 24 Cb -0.17 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 3kol s ALA 24 CO 0.07 0.58 -0.19 -0.51 0.00 0.00 0.00 175.76 175.70 3kol s LEU 25 N -0.84 2.19 -0.20 0.00 1.43 0.03 -4.96 118.68 116.34 3kol s LEU 25 Ca 0.13 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 3kol s LEU 25 Cb -0.11 -0.87 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 3kol s LEU 25 CO 0.02 0.11 0.12 0.20 0.23 0.00 0.00 176.35 177.03 3kol s ASN 26 N -1.29 6.13 -0.04 2.29 0.01 -1.26 -0.71 114.94 120.06 3kol s ASN 26 Ca 0.06 0.21 0.05 0.00 -0.71 0.00 0.00 52.86 52.46 3kol s ASN 26 Cb -0.09 -2.07 -0.01 0.00 0.41 0.00 0.00 41.25 39.49 3kol s ASN 26 CO 0.02 0.18 -0.18 0.68 -1.51 0.00 0.00 177.10 176.28 3kol s VAL 27 N 0.37 1.52 0.15 1.60 -7.23 -0.07 -4.91 120.40 111.82 3kol s VAL 27 Ca 0.07 -0.78 -0.04 0.00 -1.81 0.00 0.00 61.98 59.43 3kol s VAL 27 Cb -0.11 -1.29 -0.15 0.00 0.56 0.00 0.00 36.38 35.38 3kol s VAL 27 CO -0.02 0.43 1.36 -0.61 -0.31 0.00 0.00 175.10 175.96 3kol h GLN 28 N 6.12 0.43 -5.72 4.82 -0.00 -1.87 0.31 115.11 119.20 3kol h GLN 28 Ca -0.33 -0.41 -0.63 0.00 -0.00 0.00 0.00 58.65 57.28 3kol h GLN 28 Cb 1.17 0.10 -0.13 0.00 0.00 0.00 0.00 27.48 28.62 3kol h GLN 28 CO 0.48 1.06 -0.62 0.34 0.00 0.00 0.00 178.83 180.09 3kol s ASP 29 N -7.04 3.82 0.00 -0.69 -1.08 -1.26 -3.75 116.67 106.68 3kol s ASP 29 Ca -0.06 -1.33 0.00 0.00 -0.52 0.00 0.00 52.55 50.64 3kol s ASP 29 Cb 0.09 -0.38 0.00 0.00 -1.46 0.00 0.00 42.92 41.17 3kol s ASP 29 CO 0.86 -0.39 0.00 0.00 0.52 0.00 0.00 175.17 176.15 3kol n GLN 31 N -0.92 0.00 -0.08 4.34 1.13 -1.26 -1.69 117.38 118.89 3kol n GLN 31 Ca -0.05 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 54.96 3kol n GLN 31 Cb 0.66 0.00 0.14 0.00 0.11 0.00 0.00 30.24 31.15 3kol n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kol h ALA 32 N 0.00 1.02 -0.02 -1.58 0.00 -1.99 -0.63 119.26 116.06 3kol h ALA 32 Ca 0.00 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.36 3kol h ALA 32 Cb 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kol h ALA 32 CO 0.00 0.59 -0.95 0.77 0.00 0.00 0.00 179.25 179.66 3kol h SER 33 N 0.68 0.72 -0.37 0.00 0.02 -1.76 -1.49 113.55 111.34 3kol h SER 33 Ca 0.12 -0.55 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 3kol h SER 33 Cb 0.58 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3kol h SER 33 CO 0.04 1.35 0.03 0.03 -1.14 0.00 0.00 176.83 177.13 3kol h ARG 34 N 0.33 0.73 -0.23 3.45 3.08 -1.79 -0.55 114.38 119.39 3kol h ARG 34 Ca -0.09 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.75 3kol h ARG 34 Cb 1.58 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.53 3kol h ARG 34 CO 0.18 0.72 0.00 -0.92 -1.07 0.00 0.00 179.97 178.88 3kol h TYR 35 N 0.69 0.44 0.98 3.04 3.20 -1.02 0.52 116.97 124.82 3kol h TYR 35 Ca 0.14 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 3kol h TYR 35 Cb 0.39 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 38.55 3kol h TYR 35 CO 0.02 0.58 -0.47 0.35 -1.64 0.00 0.00 178.16 177.00 3kol h PHE 36 N 0.18 -1.22 -0.16 -3.82 3.57 -0.95 0.02 116.94 114.56 3kol h PHE 36 Ca 0.07 -0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.37 3kol h PHE 36 Cb 0.40 0.40 0.01 0.00 2.79 0.00 0.00 35.95 39.55 3kol h PHE 36 CO 0.03 -0.76 -0.56 1.88 -2.23 0.00 0.00 178.31 176.67 3kol h TYR 37 N -1.35 0.87 0.00 0.41 0.05 -1.19 -1.24 116.97 114.53 3kol h TYR 37 Ca -0.13 -0.36 -0.12 0.00 0.05 0.00 0.00 58.73 58.17 3kol h TYR 37 Cb 1.01 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.59 3kol h TYR 37 CO 0.00 1.16 -0.65 0.78 -1.05 0.00 0.00 178.16 178.40 3kol h GLY 38 N 0.33 0.00 0.14 3.88 0.00 -1.01 -1.85 103.07 104.56 3kol h GLY 38 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3kol h GLY 38 CO 0.12 0.00 -0.03 -0.84 0.00 0.00 0.00 176.54 175.79 3kol h THR 39 N -1.00 1.03 0.09 4.70 2.02 -1.16 -2.70 112.91 115.90 3kol h THR 39 Ca -0.18 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 65.42 3kol h THR 39 Cb 1.13 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 3kol h THR 39 CO -0.11 0.32 -0.04 0.40 0.37 0.00 0.00 175.52 176.46 3kol h ILE 40 N -0.94 1.04 0.00 3.11 2.04 -1.02 -3.30 117.51 118.44 3kol h ILE 40 Ca -0.01 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.45 3kol h ILE 40 Cb 0.58 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 3kol h ILE 40 CO 0.01 0.30 0.00 0.18 0.00 0.00 0.00 178.15 178.64 3kol n LEU 41 N -4.83 0.00 -0.33 1.44 4.77 -0.47 -4.94 117.00 112.64 3kol n LEU 41 Ca -0.08 0.45 -0.04 0.00 -0.03 0.00 0.00 56.01 56.31 3kol n LEU 41 Cb 0.29 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 3kol n LEU 41 CO 0.26 -0.05 -0.04 0.61 -1.33 0.00 0.00 177.39 176.84 3kol n GLY 42 N 1.15 0.67 3.74 -0.72 0.00 -1.02 -4.96 105.19 104.04 3kol n GLY 42 Ca 0.08 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3kol n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kol s LEU 43 N -0.98 4.40 0.21 0.99 1.43 -0.70 -4.96 118.68 119.07 3kol s LEU 43 Ca 0.00 2.48 -0.30 0.00 -1.03 0.00 0.00 54.13 55.28 3kol s LEU 43 Cb 0.00 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 3kol s LEU 43 CO 0.00 -0.59 1.24 -2.28 0.23 0.00 0.00 176.35 174.95 3kol s HIS 44 N 0.16 3.34 0.08 0.29 5.65 -1.18 -4.42 115.29 119.21 3kol s HIS 44 Ca 0.58 1.36 -0.10 0.00 0.25 0.00 0.00 55.06 57.15 3kol s HIS 44 Cb -0.38 -3.51 -0.06 0.00 -1.18 0.00 0.00 32.58 27.45 3kol s HIS 44 CO 0.39 -1.48 0.41 -2.00 -0.65 0.00 0.00 174.74 171.41 3kol s GLU 45 N -0.39 3.77 0.02 2.88 2.12 -1.26 -0.38 118.70 125.46 3kol s GLU 45 Ca 0.53 0.20 -0.19 0.00 0.36 0.00 0.00 54.97 55.87 3kol s GLU 45 Cb -0.35 -2.99 -0.06 0.00 0.26 0.00 0.00 34.13 30.99 3kol s GLU 45 CO 0.39 0.55 0.56 -0.51 -0.54 0.00 0.00 175.26 175.71 3kol s LEU 46 N -1.92 4.46 0.55 2.70 1.43 0.23 -4.94 118.68 121.18 3kol s LEU 46 Ca 0.33 1.16 -0.07 0.00 -1.03 0.00 0.00 54.13 54.52 3kol s LEU 46 Cb -0.14 -2.87 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 3kol s LEU 46 CO 0.18 0.19 0.89 0.42 0.23 0.00 0.00 176.35 178.26 3kol s THR 47 N -0.58 4.52 0.54 5.49 -4.23 -1.26 -4.66 115.64 115.45 3kol s THR 47 Ca 0.29 0.35 0.32 0.00 -1.18 0.00 0.00 61.69 61.47 3kol s THR 47 Cb -0.18 -3.76 0.48 0.00 1.34 0.00 0.00 72.50 70.37 3kol s THR 47 CO 0.17 -0.84 1.88 -2.24 -0.54 0.00 0.00 174.62 173.06 3kol h ASP 48 N -0.05 0.00 0.61 3.99 2.03 -1.91 0.22 116.42 121.31 3kol h ASP 48 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 3kol h ASP 48 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 3kol h ASP 48 CO 0.62 0.00 -0.14 -0.90 -1.03 0.00 0.00 179.24 177.79 3kol n ASP 49 N -4.21 0.27 -0.00 4.15 5.75 -1.26 -3.63 116.55 117.62 3kol n ASP 49 Ca 0.18 -0.13 0.10 0.00 -0.01 0.00 0.00 54.79 54.93 3kol n ASP 49 Cb 0.95 -0.17 -0.13 0.00 -1.03 0.00 0.00 41.12 40.74 3kol n ASP 49 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kol n GLU 50 N -1.27 0.33 -3.24 0.11 1.02 0.75 -4.97 120.64 113.37 3kol n GLU 50 Ca 0.10 -0.05 -0.25 0.00 -0.02 0.00 0.00 57.16 56.95 3kol n GLU 50 Cb 0.30 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 3kol n GLU 50 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3kol s VAL 51 N -3.07 5.07 0.29 2.62 -7.23 -1.16 -4.95 120.40 111.95 3kol s VAL 51 Ca 0.04 -0.30 -0.28 0.00 -1.81 0.00 0.00 61.98 59.62 3kol s VAL 51 Cb 0.15 -3.85 -0.14 0.00 0.56 0.00 0.00 36.38 33.10 3kol s VAL 51 CO 0.85 -0.59 1.00 -2.65 -0.31 0.00 0.00 175.10 173.40 3kol n PRO 52 N -1.80 1.32 -0.05 4.82 -0.02 -1.26 -4.69 135.00 133.33 3kol n PRO 52 Ca -0.04 0.46 0.25 0.00 -2.02 0.00 0.00 63.50 62.15 3kol n PRO 52 Cb 0.56 -1.83 0.66 0.00 -0.02 0.00 0.00 33.50 32.87 3kol n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kol h ALA 53 N 2.00 2.49 0.00 3.55 0.00 -1.96 0.37 119.26 125.72 3kol h ALA 53 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3kol h ALA 53 Cb 1.34 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3kol h ALA 53 CO 0.61 -1.08 0.00 1.79 0.00 0.00 0.00 179.25 180.56 3kol h THR 54 N 0.00 0.00 -0.01 0.00 1.35 -2.00 -3.20 112.91 109.05 3kol h THR 54 Ca 0.33 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3kol h THR 54 Cb 1.78 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 3kol h THR 54 CO -0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3kol n LEU 55 N -2.54 1.58 -0.09 3.87 4.77 0.13 -4.78 117.00 119.95 3kol n LEU 55 Ca 0.03 -1.00 -0.09 0.00 -0.03 0.00 0.00 56.01 54.92 3kol n LEU 55 Cb 0.36 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3kol n LEU 55 CO 0.27 0.32 0.62 0.74 -1.33 0.00 0.00 177.39 178.02 3kol h THR 56 N 1.36 0.21 -0.18 -5.08 2.02 -1.47 -0.08 112.91 109.69 3kol h THR 56 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 3kol h THR 56 Cb 0.29 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3kol h THR 56 CO 0.00 0.00 -0.46 -0.08 0.37 0.00 0.00 175.52 175.35 3kol h GLU 57 N -0.31 0.45 -0.75 6.66 4.57 -1.86 -1.01 114.58 122.33 3kol h GLU 57 Ca 0.14 -0.25 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 3kol h GLU 57 Cb 0.56 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 3kol h GLU 57 CO -0.50 0.82 0.27 -0.07 -1.18 0.00 0.00 179.01 178.35 3kol h LEU 58 N 0.36 1.07 -0.44 1.64 3.38 -1.76 0.30 115.31 119.87 3kol h LEU 58 Ca 0.02 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.63 3kol h LEU 58 Cb 0.96 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3kol h LEU 58 CO 0.08 0.98 -0.60 0.58 0.09 0.00 0.00 178.44 179.56 3kol h VAL 59 N 1.11 1.32 -0.59 1.22 2.07 -0.92 0.20 116.25 120.66 3kol h VAL 59 Ca 0.25 -1.87 -0.09 0.00 0.82 0.00 0.00 66.70 65.80 3kol h VAL 59 Cb 0.27 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3kol h VAL 59 CO -0.01 0.58 0.01 0.00 0.02 0.00 0.00 177.57 178.17 3kol h ALA 60 N 0.90 0.90 -0.00 1.67 0.00 -0.68 -2.62 119.26 119.44 3kol h ALA 60 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3kol h ALA 60 Cb 1.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3kol h ALA 60 CO 0.11 0.65 -0.09 -1.13 0.00 0.00 0.00 179.25 178.80 3kol n SER 61 N -4.19 0.28 -0.08 0.00 3.41 0.10 -4.92 113.62 108.23 3kol n SER 61 Ca 0.03 -0.34 -0.01 0.00 -0.26 0.00 0.00 58.87 58.29 3kol n SER 61 Cb 0.33 -0.16 -0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3kol n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kol n GLY 62 N 1.31 0.47 0.12 5.00 0.00 -0.75 -4.92 105.19 106.43 3kol n GLY 62 Ca 0.13 -0.90 0.01 0.00 0.00 0.00 0.00 46.02 45.27 3kol n GLY 62 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kol h LYS 63 N 0.13 0.00 -4.24 1.61 1.63 -0.89 -3.46 116.57 111.35 3kol h LYS 63 Ca -0.02 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.52 3kol h LYS 63 Cb 0.07 0.00 -0.24 0.00 -0.60 0.00 0.00 32.23 31.46 3kol h LYS 63 CO 0.03 0.44 -0.73 0.08 -3.45 0.00 0.00 179.45 175.82 3kol s VAL 64 N -2.94 0.33 0.01 2.00 1.01 -0.99 -0.67 120.40 119.15 3kol s VAL 64 Ca 0.01 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3kol s VAL 64 Cb 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 3kol s VAL 64 CO 0.77 -0.21 -0.08 0.00 0.00 0.00 0.00 175.10 175.58 3kol s ALA 65 N -0.85 0.63 -0.09 5.51 0.00 -0.46 -4.01 121.76 122.48 3kol s ALA 65 Ca -0.07 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.44 3kol s ALA 65 Cb -0.06 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.97 3kol s ALA 65 CO -0.00 0.10 -0.16 -0.80 0.00 0.00 0.00 175.76 174.90 3kol s ASN 66 N -0.65 2.37 0.19 0.00 -0.87 -1.26 -0.35 114.94 114.36 3kol s ASN 66 Ca -0.01 -0.42 0.10 0.00 -1.57 0.00 0.00 52.86 50.97 3kol s ASN 66 Cb -0.05 -1.08 -0.04 0.00 -0.02 0.00 0.00 41.25 40.06 3kol s ASN 66 CO 0.00 0.05 -0.21 -0.36 -2.57 0.00 0.00 177.10 174.02 3kol s PHE 67 N 0.73 2.06 0.04 2.20 0.08 -0.38 -0.60 117.98 122.11 3kol s PHE 67 Ca -0.12 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.52 3kol s PHE 67 Cb -0.16 -1.01 -0.03 0.00 -0.57 0.00 0.00 43.02 41.25 3kol s PHE 67 CO 0.03 0.43 -0.05 0.96 -0.10 0.00 0.00 175.22 176.49 3kol s ILE 68 N -1.95 0.31 0.38 0.64 -4.36 0.49 -0.10 121.20 116.62 3kol s ILE 68 Ca 0.19 -1.29 -0.01 0.00 -0.26 0.00 0.00 60.65 59.28 3kol s ILE 68 Cb -0.06 -0.81 -0.03 0.00 1.25 0.00 0.00 42.46 42.80 3kol s ILE 68 CO 0.09 -0.63 0.61 0.42 0.24 0.00 0.00 174.94 175.67 3kol s THR 69 N -2.28 5.05 0.66 8.37 -4.23 -0.53 -3.12 115.64 119.57 3kol s THR 69 Ca -0.06 -0.26 0.39 0.00 -1.18 0.00 0.00 61.69 60.58 3kol s THR 69 Cb -0.04 -3.86 0.40 0.00 1.34 0.00 0.00 72.50 70.34 3kol s THR 69 CO -0.03 -0.63 2.22 1.55 -0.54 0.00 0.00 174.62 177.19 3kol h PRO 70 N 0.64 0.00 -0.14 3.99 0.13 -1.99 0.25 132.00 134.87 3kol h PRO 70 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3kol h PRO 70 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3kol h PRO 70 CO 0.62 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.99 3kol n ASP 71 N -3.08 1.35 0.00 1.44 5.75 -1.26 -4.94 116.55 115.81 3kol n ASP 71 Ca -0.02 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 3kol n ASP 71 Cb 0.18 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3kol n ASP 71 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kol n GLY 72 N 1.05 0.76 3.74 6.12 0.00 0.08 -5.06 105.19 111.88 3kol n GLY 72 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3kol n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kol s THR 73 N -2.22 2.61 -0.08 2.61 2.01 -1.26 -4.75 115.64 114.57 3kol s THR 73 Ca 0.00 0.51 -0.04 0.00 0.31 0.00 0.00 61.69 62.47 3kol s THR 73 Cb 0.00 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 3kol s THR 73 CO 0.00 0.08 0.08 -0.63 -0.69 0.00 0.00 174.62 173.46 3kol s ILE 74 N 0.07 4.94 -0.27 1.82 1.01 -1.02 -1.45 121.20 126.31 3kol s ILE 74 Ca 0.60 -0.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.15 3kol s ILE 74 Cb -0.42 -3.16 0.04 0.00 0.01 0.00 0.00 42.46 38.93 3kol s ILE 74 CO 0.43 0.55 -0.03 -0.22 0.00 0.00 0.00 174.94 175.67 3kol s LEU 75 N -1.15 3.53 -0.14 2.97 2.96 0.86 -1.54 118.68 126.16 3kol s LEU 75 Ca 0.16 -1.06 -0.12 0.00 -0.22 0.00 0.00 54.13 52.90 3kol s LEU 75 Cb -0.12 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 3kol s LEU 75 CO 0.06 -0.19 0.25 -1.81 -1.32 0.00 0.00 176.35 173.34 3kol s ASP 76 N 1.29 6.44 -0.18 3.68 1.01 -0.55 -1.25 116.67 127.12 3kol s ASP 76 Ca -0.02 0.52 -0.01 0.00 0.71 0.00 0.00 52.55 53.74 3kol s ASP 76 Cb -0.18 -2.16 -0.00 0.00 1.01 0.00 0.00 42.92 41.59 3kol s ASP 76 CO -0.03 0.20 -0.11 -0.76 0.21 0.00 0.00 175.17 174.68 3kol s LEU 77 N -0.06 2.62 -0.27 1.23 1.43 0.52 -0.79 118.68 123.37 3kol s LEU 77 Ca 0.16 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 3kol s LEU 77 Cb -0.13 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 3kol s LEU 77 CO 0.04 0.04 0.04 -0.36 0.23 0.00 0.00 176.35 176.35 3kol s PHE 78 N 1.09 3.09 -0.08 0.29 0.08 0.11 -1.35 117.98 121.20 3kol s PHE 78 Ca 0.00 -0.88 -0.30 0.00 0.12 0.00 0.00 56.93 55.87 3kol s PHE 78 Cb -0.15 -2.21 -0.05 0.00 -0.57 0.00 0.00 43.02 40.05 3kol s PHE 78 CO -0.03 -0.53 1.64 0.20 -0.10 0.00 0.00 175.22 176.40 3kol s GLY 79 N 1.51 1.48 -0.45 4.36 0.00 0.15 -0.89 107.32 113.49 3kol s GLY 79 Ca 0.04 0.85 0.07 0.00 0.00 0.00 0.00 44.72 45.69 3kol s GLY 79 CO 0.01 3.02 0.57 1.18 0.00 0.00 0.00 173.10 177.88 3kol n GLU 80 N 7.20 1.10 0.31 2.90 -0.58 0.11 -4.90 120.64 126.78 3kol n GLU 80 Ca 0.17 -3.54 0.21 0.00 -0.42 0.00 0.00 57.16 53.58 3kol n GLU 80 Cb 0.43 -1.45 1.09 0.00 -0.57 0.00 0.00 31.44 30.94 3kol n GLU 80 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3kol h PRO 81 N 4.08 0.00 -0.02 3.49 0.13 -1.71 -2.44 132.00 135.53 3kol h PRO 81 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3kol h PRO 81 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3kol h PRO 81 CO 0.54 0.00 -0.15 0.39 -0.23 0.00 0.00 178.00 178.55 3kol n GLU 82 N -2.96 1.92 -2.98 0.86 1.02 -1.26 -4.95 120.64 112.28 3kol n GLU 82 Ca -0.02 -1.56 -0.28 0.00 -0.02 0.00 0.00 57.16 55.28 3kol n GLU 82 Cb 0.09 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 3kol n GLU 82 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kol s LEU 83 N -2.16 3.85 0.23 -4.62 1.43 -0.92 -5.10 118.68 111.39 3kol s LEU 83 Ca 0.26 0.85 0.09 0.00 -1.03 0.00 0.00 54.13 54.30 3kol s LEU 83 Cb 0.19 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 3kol s LEU 83 CO 0.39 -0.39 -0.05 -0.44 0.23 0.00 0.00 176.35 176.09 3kol s SER 84 N -3.62 4.39 0.72 2.29 0.01 -1.26 -4.88 113.70 111.34 3kol s SER 84 Ca 0.46 -0.63 -0.11 0.00 1.31 0.00 0.00 55.95 56.98 3kol s SER 84 Cb -0.10 -0.77 0.02 0.00 0.21 0.00 0.00 66.02 65.37 3kol s SER 84 CO 0.36 0.05 1.08 -2.16 0.41 0.00 0.00 173.24 172.98 3kol s PRO 85 N -3.30 2.76 0.54 12.44 0.04 -1.26 -4.91 135.00 141.31 3kol s PRO 85 Ca 0.29 0.64 0.24 0.00 0.04 0.00 0.00 61.00 62.21 3kol s PRO 85 Cb -0.07 -1.99 1.42 0.00 0.04 0.00 0.00 34.50 33.89 3kol s PRO 85 CO 0.18 -1.15 2.04 -1.00 0.04 0.00 0.00 177.00 177.11 3kol h PRO 86 N -0.74 0.00 -1.92 0.56 0.13 -1.98 -3.41 132.00 124.64 3kol h PRO 86 Ca -0.45 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 3kol h PRO 86 Cb 1.24 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.15 3kol h PRO 86 CO 0.61 0.00 0.12 0.34 -0.23 0.00 0.00 178.00 178.84 3kol s ASP 87 N -6.28 -0.81 0.37 1.44 2.15 -1.26 -5.06 116.67 107.22 3kol s ASP 87 Ca -0.05 1.37 0.13 0.00 0.43 0.00 0.00 52.55 54.43 3kol s ASP 87 Cb 0.18 1.35 0.95 0.00 -0.30 0.00 0.00 42.92 45.11 3kol s ASP 87 CO 0.68 -0.22 1.80 -0.65 -0.17 0.00 0.00 175.17 176.61 3kol h PRO 88 N 6.14 0.53 -5.87 4.34 0.11 -1.98 -3.37 132.00 131.90 3kol h PRO 88 Ca -0.29 -0.03 -0.61 0.00 0.11 0.00 0.00 66.00 65.17 3kol h PRO 88 Cb 1.20 -0.12 -0.11 0.00 0.11 0.00 0.00 31.00 32.08 3kol h PRO 88 CO 0.13 0.35 0.42 1.21 -0.21 0.00 0.00 178.00 179.90 3kol s ASN 89 N -5.46 6.53 0.43 -2.05 2.47 -1.26 -4.93 114.94 110.68 3kol s ASN 89 Ca -0.09 0.26 0.29 0.00 0.42 0.00 0.00 52.86 53.74 3kol s ASN 89 Cb 0.24 -2.41 1.57 0.00 -1.45 0.00 0.00 41.25 39.20 3kol s ASN 89 CO 0.79 -0.82 1.90 1.55 -3.72 0.00 0.00 177.10 176.80 3kol h PRO 90 N 8.65 0.00 0.00 0.43 0.13 -1.87 -1.82 132.00 137.52 3kol h PRO 90 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3kol h PRO 90 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3kol h PRO 90 CO 0.94 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.10 3kol n GLU 91 N -2.54 0.20 -2.58 0.86 1.02 -1.26 -4.71 120.64 111.63 3kol n GLU 91 Ca -0.02 0.24 -0.42 0.00 -0.02 0.00 0.00 57.16 56.94 3kol n GLU 91 Cb 0.06 -1.77 -0.03 0.00 -0.02 0.00 0.00 31.44 29.69 3kol n GLU 91 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3kol s LYS 92 N -3.14 4.38 0.12 3.49 2.47 -0.69 -5.02 119.74 121.36 3kol s LYS 92 Ca 0.09 1.51 0.02 0.00 -1.56 0.00 0.00 55.97 56.04 3kol s LYS 92 Cb 0.12 -3.56 -0.04 0.00 -1.46 0.00 0.00 37.83 32.89 3kol s LYS 92 CO 0.53 -0.40 0.23 0.95 0.16 0.00 0.00 175.35 176.82 3kol s THR 93 N 2.22 5.19 0.29 3.43 -4.23 -1.26 -4.95 115.64 116.33 3kol s THR 93 Ca 0.51 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 3kol s THR 93 Cb -0.21 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 69.98 3kol s THR 93 CO 0.19 -0.02 0.30 -0.36 -0.54 0.00 0.00 174.62 174.19 3kol s PHE 94 N -1.66 1.26 1.02 3.99 0.08 -1.26 -5.16 117.98 116.25 3kol s PHE 94 Ca 0.34 -1.39 -0.16 0.00 0.12 0.00 0.00 56.93 55.83 3kol s PHE 94 Cb -0.11 -0.42 0.21 0.00 -0.57 0.00 0.00 43.02 42.13 3kol s PHE 94 CO 0.27 -0.88 1.24 0.95 -0.10 0.00 0.00 175.22 176.70 3kol s THR 95 N -3.62 1.89 0.00 0.64 -4.23 -1.26 -4.86 115.64 104.20 3kol s THR 95 Ca 0.36 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 3kol s THR 95 Cb 0.03 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.04 3kol s THR 95 CO 0.19 0.00 0.00 0.54 -0.54 0.00 0.00 174.62 174.81 3kol n ARG 96 N -4.03 0.00 -1.66 3.99 1.74 -1.26 -4.92 116.66 110.52 3kol n ARG 96 Ca 0.13 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.74 3kol n ARG 96 Cb 0.59 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.99 3kol n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kol n ALA 97 N 4.07 0.95 -0.04 7.54 0.00 -1.26 -4.92 120.51 126.85 3kol n ALA 97 Ca 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.81 3kol n ALA 97 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.09 3kol n ALA 97 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kol n TYR 98 N 3.97 0.00 -3.70 0.00 9.36 -1.26 -4.93 117.16 120.60 3kol n TYR 98 Ca 0.18 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.31 3kol n TYR 98 Cb 0.27 -0.27 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 3kol n TYR 98 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 3kol s HIS 99 N -2.22 -0.18 -0.12 2.98 -3.43 -1.26 -4.92 115.29 106.15 3kol s HIS 99 Ca -0.16 -0.15 0.03 0.00 -0.80 0.00 0.00 55.06 53.98 3kol s HIS 99 Cb 0.02 0.43 0.01 0.00 -1.43 0.00 0.00 32.58 31.61 3kol s HIS 99 CO 0.23 -0.92 -0.20 -1.17 -2.00 0.00 0.00 174.74 170.68 3kol s LEU 100 N -2.86 1.98 -0.09 5.38 2.96 -1.26 -5.01 118.68 119.78 3kol s LEU 100 Ca 0.08 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 3kol s LEU 100 Cb -0.01 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.35 3kol s LEU 100 CO -0.04 0.08 -0.16 0.00 -1.32 0.00 0.00 176.35 174.90 3kol s ALA 101 N 0.75 2.52 -0.03 5.97 0.00 -1.26 -0.86 121.76 128.85 3kol s ALA 101 Ca -0.10 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.91 3kol s ALA 101 Cb -0.16 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 3kol s ALA 101 CO 0.01 0.39 -0.00 -0.06 0.00 0.00 0.00 175.76 176.10 3kol s PHE 102 N -0.13 3.09 0.06 0.00 0.08 0.24 -4.96 117.98 116.36 3kol s PHE 102 Ca -0.02 0.11 -0.09 0.00 0.12 0.00 0.00 56.93 57.05 3kol s PHE 102 Cb -0.14 -1.70 -0.05 0.00 -0.57 0.00 0.00 43.02 40.55 3kol s PHE 102 CO 0.04 0.46 0.35 0.34 -0.10 0.00 0.00 175.22 176.31 3kol s ASP 103 N -1.34 6.59 0.01 1.36 2.15 -1.26 -1.12 116.67 123.06 3kol s ASP 103 Ca 0.17 0.71 -0.02 0.00 0.43 0.00 0.00 52.55 53.85 3kol s ASP 103 Cb -0.11 -2.15 -0.01 0.00 -0.30 0.00 0.00 42.92 40.35 3kol s ASP 103 CO 0.08 0.20 0.02 -0.51 -0.17 0.00 0.00 175.17 174.78 3kol s ILE 104 N -1.37 0.08 0.19 4.11 2.07 -0.35 -4.91 121.20 121.03 3kol s ILE 104 Ca 0.31 -0.69 -0.33 0.00 -1.41 0.00 0.00 60.65 58.53 3kol s ILE 104 Cb -0.14 -0.26 -0.14 0.00 0.13 0.00 0.00 42.46 42.05 3kol s ILE 104 CO 0.18 -0.38 1.36 -0.67 -1.91 0.00 0.00 174.94 173.52 3kol n ASP 105 N 1.84 2.31 -0.17 4.50 -0.08 -1.26 -4.36 116.55 119.33 3kol n ASP 105 Ca -0.22 1.13 0.23 0.00 -1.51 0.00 0.00 54.79 54.42 3kol n ASP 105 Cb 0.56 -1.34 0.63 0.00 2.34 0.00 0.00 41.12 43.30 3kol n ASP 105 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3kol h PRO 106 N 4.32 0.17 0.00 -0.67 0.11 -1.92 0.14 132.00 134.15 3kol h PRO 106 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kol h PRO 106 Cb 1.30 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kol h PRO 106 CO 0.77 0.11 0.00 1.04 -0.21 0.00 0.00 178.00 179.71 3kol n GLN 107 N -4.39 0.37 -0.01 1.05 1.13 -1.26 -2.95 117.38 111.32 3kol n GLN 107 Ca 0.17 0.05 0.03 0.00 -1.94 0.00 0.00 57.00 55.31 3kol n GLN 107 Cb 0.78 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.66 3kol n GLN 107 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3kol n LEU 108 N -1.27 1.63 -0.08 1.08 4.77 0.46 -4.70 117.00 118.90 3kol n LEU 108 Ca 0.12 -1.09 -0.09 0.00 -0.03 0.00 0.00 56.01 54.92 3kol n LEU 108 Cb 0.19 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3kol n LEU 108 CO 0.19 0.35 0.98 0.15 -1.33 0.00 0.00 177.39 177.73 3kol h PHE 109 N 1.26 0.33 -0.78 -1.77 3.57 -1.39 -2.00 116.94 116.16 3kol h PHE 109 Ca 0.00 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3kol h PHE 109 Cb 0.30 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 3kol h PHE 109 CO 0.01 0.21 0.50 -0.44 -2.23 0.00 0.00 178.31 176.36 3kol h ASP 110 N 0.36 0.83 -0.94 0.41 3.32 -1.84 -1.68 116.42 116.88 3kol h ASP 110 Ca 0.10 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.17 3kol h ASP 110 Cb -0.03 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 3kol h ASP 110 CO -0.03 0.58 0.62 -0.09 -1.72 0.00 0.00 179.24 178.59 3kol h ARG 111 N 0.98 1.18 -0.53 3.56 9.65 -1.78 -0.57 114.38 126.86 3kol h ARG 111 Ca 0.31 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.11 3kol h ARG 111 Cb -0.01 -0.27 -0.03 0.00 -1.39 0.00 0.00 29.97 28.28 3kol h ARG 111 CO -0.10 0.78 0.31 0.00 2.80 0.00 0.00 179.97 183.76 3kol h ALA 112 N 1.37 0.68 -0.71 2.80 0.00 -0.60 0.22 119.26 123.03 3kol h ALA 112 Ca 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3kol h ALA 112 Cb -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3kol h ALA 112 CO -0.11 0.18 0.38 0.28 0.00 0.00 0.00 179.25 179.99 3kol h VAL 113 N 0.72 1.22 -0.60 0.00 2.07 -0.65 -1.03 116.25 117.98 3kol h VAL 113 Ca 0.19 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 3kol h VAL 113 Cb 0.01 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 3kol h VAL 113 CO -0.03 0.25 0.02 0.74 0.02 0.00 0.00 177.57 178.56 3kol h THR 114 N 0.98 1.26 -0.47 2.57 2.02 -0.56 -1.96 112.91 116.75 3kol h THR 114 Ca 0.25 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 3kol h THR 114 Cb 0.05 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3kol h THR 114 CO -0.04 0.40 0.28 0.58 0.37 0.00 0.00 175.52 177.12 3kol h VAL 115 N 0.94 1.14 -0.87 3.16 2.07 -0.08 0.13 116.25 122.75 3kol h VAL 115 Ca 0.17 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.39 3kol h VAL 115 Cb 0.52 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3kol h VAL 115 CO 0.03 0.15 0.57 0.40 0.02 0.00 0.00 177.57 178.73 3kol h ILE 116 N 0.62 1.17 -0.09 4.57 2.04 -0.96 -1.81 117.51 123.05 3kol h ILE 116 Ca 0.17 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3kol h ILE 116 Cb -0.01 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.01 3kol h ILE 116 CO -0.03 0.21 -0.04 1.23 0.00 0.00 0.00 178.15 179.52 3kol h GLY 117 N 1.13 0.21 2.00 5.37 0.00 -0.73 -0.70 103.07 110.36 3kol h GLY 117 Ca 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 3kol h GLY 117 CO -0.10 0.17 -0.06 0.83 0.00 0.00 0.00 176.54 177.37 3kol h GLU 118 N -0.16 0.00 -0.62 4.80 5.08 -0.57 -0.72 114.58 122.39 3kol h GLU 118 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kol h GLU 118 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3kol h GLU 118 CO 0.01 0.06 0.00 0.09 -1.00 0.00 0.00 179.01 178.18 3kol n ASN 119 N -3.85 3.77 -4.04 1.42 3.02 -0.70 -4.94 115.26 109.94 3kol n ASN 119 Ca -0.02 -2.27 -0.32 0.00 -0.03 0.00 0.00 54.58 51.94 3kol n ASN 119 Cb 0.16 -0.49 -0.00 0.00 -0.61 0.00 0.00 39.78 38.84 3kol n ASN 119 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kol n LYS 120 N 0.98 -4.22 -3.36 3.52 5.02 -0.28 -4.95 118.16 114.88 3kol n LYS 120 Ca 0.21 0.48 -0.39 0.00 -2.02 0.00 0.00 58.31 56.59 3kol n LYS 120 Cb 0.68 -5.18 -0.08 0.00 -0.02 0.00 0.00 35.03 30.44 3kol n LYS 120 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kol s ILE 121 N -3.41 5.17 0.26 -0.18 1.01 -0.29 -5.04 121.20 118.73 3kol s ILE 121 Ca 0.57 0.71 -0.30 0.00 0.00 0.00 0.00 60.65 61.63 3kol s ILE 121 Cb -0.30 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 3kol s ILE 121 CO 0.88 0.20 1.37 0.00 0.00 0.00 0.00 174.94 177.38 3kol s ALA 122 N 1.69 3.56 -0.29 9.38 0.00 -1.26 -4.60 121.76 130.24 3kol s ALA 122 Ca 0.19 1.26 -0.17 0.00 0.00 0.00 0.00 51.96 53.23 3kol s ALA 122 Cb -0.15 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 3kol s ALA 122 CO 0.09 -0.66 0.49 0.42 0.00 0.00 0.00 175.76 176.09 3kol s ILE 123 N -0.34 5.07 0.13 0.00 1.01 -1.26 -4.27 121.20 121.54 3kol s ILE 123 Ca 0.55 0.63 -0.13 0.00 0.00 0.00 0.00 60.65 61.71 3kol s ILE 123 Cb -0.40 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 3kol s ILE 123 CO 0.45 -0.01 1.49 0.00 0.00 0.00 0.00 174.94 176.87 3kol h ALA 124 N 8.21 0.55 -2.35 9.38 0.00 -0.94 -3.46 119.26 130.64 3kol h ALA 124 Ca -0.29 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 3kol h ALA 124 Cb 1.14 -0.13 -0.21 0.00 0.00 0.00 0.00 17.79 18.59 3kol h ALA 124 CO 0.72 0.53 -0.07 -1.58 0.00 0.00 0.00 179.25 178.85 3kol s HIS 125 N -4.57 -0.48 0.00 0.00 5.65 -1.07 -5.00 115.29 109.83 3kol s HIS 125 Ca -0.12 0.97 0.00 0.00 0.25 0.00 0.00 55.06 56.17 3kol s HIS 125 Cb 0.10 0.23 0.00 0.00 -1.18 0.00 0.00 32.58 31.73 3kol s HIS 125 CO 0.85 -0.41 0.00 0.41 -0.65 0.00 0.00 174.74 174.94 3kol n GLY 126 N 1.80 -1.74 3.74 1.59 0.00 -1.26 -1.00 105.19 108.32 3kol n GLY 126 Ca -0.18 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 3kol n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kol s PRO 127 N 0.00 2.69 0.04 1.61 0.04 -1.26 -4.92 135.00 133.20 3kol s PRO 127 Ca 0.00 1.77 0.06 0.00 0.04 0.00 0.00 61.00 62.87 3kol s PRO 127 Cb 0.00 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 3kol s PRO 127 CO 0.00 -1.42 -0.16 0.14 0.04 0.00 0.00 177.00 175.60 3kol s VAL 128 N -1.77 1.29 -0.05 -0.36 -7.23 0.25 -4.97 120.40 107.55 3kol s VAL 128 Ca 0.76 -1.04 0.05 0.00 -1.81 0.00 0.00 61.98 59.93 3kol s VAL 128 Cb -0.29 -1.15 -0.00 0.00 0.56 0.00 0.00 36.38 35.50 3kol s VAL 128 CO 0.38 0.09 -0.20 -0.89 -0.31 0.00 0.00 175.10 174.17 3kol s THR 129 N -0.80 1.64 0.00 5.32 2.01 -1.26 -1.44 115.64 121.11 3kol s THR 129 Ca 0.04 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.21 3kol s THR 129 Cb -0.08 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 71.02 3kol s THR 129 CO 0.01 0.47 0.00 0.54 -0.69 0.00 0.00 174.62 174.95 3kol n ARG 130 N 3.15 0.00 0.00 4.92 1.74 -1.26 -5.00 116.66 120.21 3kol n ARG 130 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3kol n ARG 130 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 3kol n ARG 130 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kol n THR 132 N 0.00 0.00 -3.45 0.55 -2.24 -1.26 -4.58 114.28 103.29 3kol n THR 132 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 3kol n THR 132 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3kol n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kol n GLY 133 N 0.00 2.56 3.23 3.38 0.00 -1.26 -1.29 105.19 111.81 3kol n GLY 133 Ca 0.00 -1.28 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 3kol n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kol s ARG 134 N -2.08 0.97 0.03 1.61 0.52 -0.94 -4.48 118.95 114.58 3kol s ARG 134 Ca 0.04 -1.12 -0.23 0.00 -0.52 0.00 0.00 55.73 53.90 3kol s ARG 134 Cb -0.00 -1.00 0.05 0.00 0.52 0.00 0.00 34.95 34.52 3kol s ARG 134 CO 0.03 0.21 0.52 0.20 0.02 0.00 0.00 175.30 176.28 3kol s GLY 135 N -2.06 -0.42 -0.06 -3.53 0.00 -0.52 -1.79 107.32 98.93 3kol s GLY 135 Ca 0.04 0.66 -0.05 0.00 0.00 0.00 0.00 44.72 45.37 3kol s GLY 135 CO 0.03 0.36 0.16 0.54 0.00 0.00 0.00 173.10 174.19 3kol s VAL 136 N -2.20 -0.01 0.01 1.40 0.11 -0.64 -0.58 120.40 118.48 3kol s VAL 136 Ca -0.07 0.04 0.08 0.00 -2.93 0.00 0.00 61.98 59.11 3kol s VAL 136 Cb -0.01 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 3kol s VAL 136 CO 0.00 0.02 -0.25 -0.31 -3.33 0.00 0.00 175.10 171.24 3kol s TYR 137 N 0.37 2.38 0.07 1.54 2.02 -0.17 -1.33 117.35 122.23 3kol s TYR 137 Ca -0.02 -0.39 -0.23 0.00 -0.37 0.00 0.00 57.07 56.05 3kol s TYR 137 Cb -0.04 -1.47 0.06 0.00 -0.40 0.00 0.00 41.96 40.11 3kol s TYR 137 CO -0.02 0.07 0.55 -0.59 -1.57 0.00 0.00 175.55 173.99 3kol s PHE 138 N -0.72 -0.46 0.16 2.71 -0.12 -0.42 -0.21 117.98 118.92 3kol s PHE 138 Ca 0.11 0.48 -0.10 0.00 -0.05 0.00 0.00 56.93 57.37 3kol s PHE 138 Cb -0.10 0.39 -0.07 0.00 -0.63 0.00 0.00 43.02 42.62 3kol s PHE 138 CO 0.01 -0.69 0.49 0.71 -0.05 0.00 0.00 175.22 175.69 3kol s TYR 139 N -2.68 3.51 0.81 3.49 2.02 -1.26 0.32 117.35 123.55 3kol s TYR 139 Ca -0.04 0.85 -0.07 0.00 -0.37 0.00 0.00 57.07 57.44 3kol s TYR 139 Cb -0.00 -2.23 0.14 0.00 -0.40 0.00 0.00 41.96 39.47 3kol s TYR 139 CO -0.04 0.39 1.12 0.16 -1.57 0.00 0.00 175.55 175.61 3kol s ASP 140 N -2.09 3.96 0.58 2.29 -4.77 0.03 -4.88 116.67 111.78 3kol s ASP 140 Ca 0.41 -0.03 0.31 0.00 -3.30 0.00 0.00 52.55 49.94 3kol s ASP 140 Cb -0.13 -0.27 1.42 0.00 -1.09 0.00 0.00 42.92 42.85 3kol s ASP 140 CO 0.21 -2.15 1.78 -0.65 0.70 0.00 0.00 175.17 175.06 3kol h PRO 141 N -0.94 0.00 -0.01 2.11 0.11 -1.90 -0.31 132.00 131.06 3kol h PRO 141 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kol h PRO 141 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kol h PRO 141 CO 0.42 0.00 -0.44 -0.25 -0.21 0.00 0.00 178.00 177.52 3kol n ASP 142 N -3.82 1.81 0.00 -2.05 8.00 -1.26 -4.95 116.55 114.28 3kol n ASP 142 Ca 0.16 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.28 3kol n ASP 142 Cb 0.99 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 42.50 3kol n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kol n GLY 143 N 1.40 0.98 0.00 0.44 0.00 -0.13 -4.89 105.19 103.00 3kol n GLY 143 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3kol n GLY 143 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kol n PHE 144 N -2.01 0.00 -3.64 1.61 7.35 -1.26 -4.74 117.46 114.77 3kol n PHE 144 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 3kol n PHE 144 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 3kol n PHE 144 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3kol s ILE 146 N 0.85 0.00 -0.03 -2.13 -1.09 0.15 -0.79 121.20 118.16 3kol s ILE 146 Ca 0.00 0.00 0.06 0.00 -2.23 0.00 0.00 60.65 58.48 3kol s ILE 146 Cb 0.00 -1.00 -0.01 0.00 -1.58 0.00 0.00 42.46 39.87 3kol s ILE 146 CO 0.00 0.00 -0.22 -0.70 -1.23 0.00 0.00 174.94 172.79 3kol s GLU 147 N -0.14 1.98 -0.14 2.79 2.12 -0.04 -1.30 118.70 123.97 3kol s GLU 147 Ca 0.06 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.62 3kol s GLU 147 Cb -0.04 -1.80 -0.00 0.00 0.26 0.00 0.00 34.13 32.55 3kol s GLU 147 CO -0.11 0.40 -0.18 0.42 -0.54 0.00 0.00 175.26 175.25 3kol s ILE 148 N -0.31 2.45 0.08 -3.70 1.01 -0.44 -0.59 121.20 119.70 3kol s ILE 148 Ca 0.03 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 3kol s ILE 148 Cb -0.10 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3kol s ILE 148 CO 0.01 0.53 0.02 0.00 0.00 0.00 0.00 174.94 175.51 3kol s ARG 149 N 0.67 0.75 0.07 2.79 1.04 -0.28 -1.63 118.95 122.36 3kol s ARG 149 Ca -0.09 -1.28 -0.05 0.00 -1.04 0.00 0.00 55.73 53.27 3kol s ARG 149 Cb -0.16 0.23 -0.02 0.00 -2.04 0.00 0.00 34.95 32.96 3kol s ARG 149 CO 0.02 -0.18 0.08 0.00 -0.04 0.00 0.00 175.30 175.17 3kol n ASP 151 N 0.11 -0.57 -4.79 0.00 8.00 -1.26 -2.21 116.55 115.84 3kol n ASP 151 Ca -0.15 -1.38 -0.32 0.00 0.71 0.00 0.00 54.79 53.65 3kol n ASP 151 Cb 0.61 -1.00 0.04 0.00 -0.02 0.00 0.00 41.12 40.75 3kol n ASP 151 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3kol s PRO 152 N -5.74 3.00 0.00 -0.24 0.04 -0.41 -4.56 135.00 127.09 3kol s PRO 152 Ca 0.73 1.23 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3kol s PRO 152 Cb -0.03 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3kol s PRO 152 CO 0.53 -1.07 0.09 0.39 0.04 0.00 0.00 177.00 176.97