#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krt s LEU 2 N 0.00 2.80 -0.11 4.03 2.01 -1.26 -5.03 118.68 121.12 2krt s LEU 2 Ca 0.00 0.03 -0.29 0.00 0.01 0.00 0.00 54.13 53.87 2krt s LEU 2 Cb 0.00 -2.05 -0.01 0.00 0.01 0.00 0.00 46.19 44.14 2krt s LEU 2 CO 0.00 -2.68 1.00 -0.44 1.01 0.00 0.00 176.35 175.24 2krt s SER 3 N -4.92 7.23 -0.59 2.29 0.01 -1.26 -4.96 113.70 111.51 2krt s SER 3 Ca 0.74 1.51 0.01 0.00 1.31 0.00 0.00 55.95 59.53 2krt s SER 3 Cb -0.03 -2.55 0.42 0.00 0.21 0.00 0.00 66.02 64.07 2krt s SER 3 CO 0.52 -0.44 1.70 0.00 0.41 0.00 0.00 173.24 175.42 2krt n GLN 4 N 5.01 3.04 -2.14 12.44 0.00 -1.26 -4.81 117.38 129.65 2krt n GLN 4 Ca 0.08 -3.74 -0.31 0.00 0.00 0.00 0.00 57.00 53.03 2krt n GLN 4 Cb 0.49 -2.28 -0.01 0.00 0.00 0.00 0.00 30.24 28.44 2krt n GLN 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2krt s ALA 5 N -3.79 3.11 0.51 2.61 0.00 -1.26 -4.93 121.76 118.00 2krt s ALA 5 Ca 0.56 -0.01 0.21 0.00 0.00 0.00 0.00 51.96 52.72 2krt s ALA 5 Cb 0.45 -3.06 1.29 0.00 0.00 0.00 0.00 23.12 21.81 2krt s ALA 5 CO -0.12 -0.48 2.02 -0.91 0.00 0.00 0.00 175.76 176.26 2krt h ASN 6 N 0.23 0.08 0.45 0.00 -0.26 -2.01 0.95 115.58 115.02 2krt h ASN 6 Ca -0.45 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.16 2krt h ASN 6 Cb 1.19 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 38.42 2krt h ASN 6 CO 0.62 0.05 -0.56 1.05 -1.06 0.00 0.00 177.43 177.53 2krt h GLU 7 N 0.09 0.12 -0.13 0.81 4.11 -1.98 -3.18 114.58 114.42 2krt h GLU 7 Ca 0.22 -0.08 -0.17 0.00 0.07 0.00 0.00 59.36 59.40 2krt h GLU 7 Cb 0.75 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2krt h GLU 7 CO -0.02 0.65 -0.63 -0.44 0.07 0.00 0.00 179.01 178.63 2krt h ASP 8 N 0.09 0.55 -0.13 3.06 3.32 -1.13 0.11 116.42 122.29 2krt h ASP 8 Ca -0.00 -0.33 0.01 0.00 0.02 0.00 0.00 57.03 56.73 2krt h ASP 8 Cb 1.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2krt h ASP 8 CO 0.08 1.05 0.06 -0.26 -1.72 0.00 0.00 179.24 178.45 2krt h PHE 9 N 0.35 0.12 -0.32 4.55 0.04 -1.51 -0.44 116.94 119.73 2krt h PHE 9 Ca -0.01 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 2krt h PHE 9 Cb 1.19 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.29 2krt h PHE 9 CO 0.05 0.07 -0.20 1.57 -0.60 0.00 0.00 178.31 179.19 2krt h LYS 10 N 0.14 0.60 -0.01 1.51 2.10 -1.53 -3.16 116.57 116.23 2krt h LYS 10 Ca 0.05 -0.22 0.02 0.00 -2.00 0.00 0.00 60.65 58.51 2krt h LYS 10 Cb 0.01 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.27 2krt h LYS 10 CO -0.04 0.76 -0.14 -0.22 -2.00 0.00 0.00 179.45 177.82 2krt h LYS 11 N 0.53 -0.22 -0.85 0.07 3.64 -0.28 -1.11 116.57 118.35 2krt h LYS 11 Ca 0.08 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.60 2krt h LYS 11 Cb 0.64 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.43 2krt h LYS 11 CO 0.05 -0.15 0.47 0.82 -2.27 0.00 0.00 179.45 178.37 2krt h ILE 12 N -0.23 0.81 -0.52 2.00 2.04 -1.09 0.42 117.51 120.95 2krt h ILE 12 Ca 0.05 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 2krt h ILE 12 Cb 0.29 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2krt h ILE 12 CO -0.14 0.13 0.02 0.58 0.00 0.00 0.00 178.15 178.74 2krt h VAL 13 N 0.72 1.25 0.00 1.67 2.07 -1.39 -2.43 116.25 118.14 2krt h VAL 13 Ca 0.44 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2krt h VAL 13 Cb 0.54 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2krt h VAL 13 CO -0.31 0.36 -0.11 0.78 0.02 0.00 0.00 177.57 178.31 2krt h ASN 14 N 0.80 0.00 -0.51 0.57 2.35 -0.06 -3.25 115.58 115.48 2krt h ASN 14 Ca 0.16 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2krt h ASN 14 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2krt h ASN 14 CO 0.02 0.01 0.00 0.59 -1.65 0.00 0.00 177.43 176.40 2krt n ASN 15 N -2.46 3.45 -4.57 5.81 5.03 0.14 -4.91 115.26 117.75 2krt n ASN 15 Ca 0.05 -2.22 -0.40 0.00 0.87 0.00 0.00 54.58 52.88 2krt n ASN 15 Cb 0.46 -0.46 -0.03 0.00 -1.02 0.00 0.00 39.78 38.74 2krt n ASN 15 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2krt s ILE 16 N -1.60 3.35 -0.08 2.41 1.01 -1.10 -4.76 121.20 120.44 2krt s ILE 16 Ca 0.38 0.27 -0.01 0.00 0.00 0.00 0.00 60.65 61.29 2krt s ILE 16 Cb 0.23 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 2krt s ILE 16 CO 0.21 -0.64 0.00 -0.60 0.00 0.00 0.00 174.94 173.92 2krt s ARG 17 N 6.73 2.97 0.00 2.79 6.06 -1.26 -4.96 118.95 131.28 2krt s ARG 17 Ca 0.75 -0.43 0.00 0.00 -2.50 0.00 0.00 55.73 53.55 2krt s ARG 17 Cb -0.16 -2.78 0.00 0.00 0.06 0.00 0.00 34.95 32.06 2krt s ARG 17 CO 0.26 0.70 1.02 1.47 -2.50 0.00 0.00 175.30 176.24 2krt n LEU 18 N 2.04 2.85 0.00 -0.88 -0.00 -1.26 -1.49 117.00 118.26 2krt n LEU 18 Ca -0.18 -1.33 0.00 0.00 -0.00 0.00 0.00 56.01 54.50 2krt n LEU 18 Cb 0.54 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.40 2krt n LEU 18 CO 0.29 0.51 0.00 1.17 -0.00 0.00 0.00 177.39 179.36 2krt n LYS 19 N 1.15 0.00 -0.09 1.47 4.81 -0.85 -4.65 118.16 120.00 2krt n LYS 19 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 2krt n LYS 19 Cb 0.34 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.27 2krt n LYS 19 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2krt n ASP 20 N -1.13 1.92 0.09 3.14 2.03 -1.18 -4.64 116.55 116.79 2krt n ASP 20 Ca 0.00 0.36 -0.23 0.00 0.52 0.00 0.00 54.79 55.44 2krt n ASP 20 Cb 0.00 -0.91 -0.15 0.00 -0.72 0.00 0.00 41.12 39.33 2krt n ASP 20 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2krt h THR 21 N -0.79 1.26 -2.85 5.18 2.02 -1.56 -3.45 112.91 112.73 2krt h THR 21 Ca -0.42 -2.59 -0.03 0.00 0.77 0.00 0.00 66.41 64.15 2krt h THR 21 Cb 1.49 3.01 -0.13 0.00 -1.74 0.00 0.00 68.15 70.77 2krt h THR 21 CO -0.19 0.78 0.19 0.72 0.37 0.00 0.00 175.52 177.39 2krt s PHE 22 N -2.53 -0.54 -0.29 3.16 -0.71 -1.01 -3.00 117.98 113.06 2krt s PHE 22 Ca -0.13 0.45 -0.04 0.00 -1.04 0.00 0.00 56.93 56.16 2krt s PHE 22 Cb 0.03 0.52 0.02 0.00 -1.21 0.00 0.00 43.02 42.39 2krt s PHE 22 CO 0.88 -0.80 0.03 -0.51 -1.34 0.00 0.00 175.22 173.48 2krt s ASP 23 N -2.48 4.87 -0.32 1.98 1.11 -0.95 -2.01 116.67 118.87 2krt s ASP 23 Ca -0.01 -0.90 -0.21 0.00 0.18 0.00 0.00 52.55 51.61 2krt s ASP 23 Cb -0.01 -1.79 -0.00 0.00 1.07 0.00 0.00 42.92 42.19 2krt s ASP 23 CO -0.09 -0.20 0.67 0.72 1.18 0.00 0.00 175.17 177.45 2krt s PHE 24 N 1.40 3.19 -0.16 4.23 -0.71 -1.26 -1.13 117.98 123.53 2krt s PHE 24 Ca 0.00 0.57 -0.01 0.00 -1.04 0.00 0.00 56.93 56.46 2krt s PHE 24 Cb -0.18 -3.08 -0.01 0.00 -1.21 0.00 0.00 43.02 38.54 2krt s PHE 24 CO -0.00 -0.54 -0.12 0.21 -1.34 0.00 0.00 175.22 173.43 2krt s LYS 25 N 2.72 3.29 0.17 1.99 2.20 0.35 -4.95 119.74 125.51 2krt s LYS 25 Ca 0.27 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.87 2krt s LYS 25 Cb -0.15 -2.71 -0.07 0.00 -1.51 0.00 0.00 37.83 33.39 2krt s LYS 25 CO 0.13 0.01 1.05 -0.51 -0.36 0.00 0.00 175.35 175.67 2krt s LEU 26 N 0.85 4.51 0.38 5.43 2.01 -1.25 -0.48 118.68 130.13 2krt s LEU 26 Ca -0.04 2.00 0.06 0.00 0.01 0.00 0.00 54.13 56.17 2krt s LEU 26 Cb -0.15 -3.60 0.75 0.00 0.01 0.00 0.00 46.19 43.20 2krt s LEU 26 CO -0.00 -0.14 1.97 0.00 1.01 0.00 0.00 176.35 179.19 2krt h ALA 27 N 5.12 1.56 0.00 4.21 0.00 -1.85 -1.77 119.26 126.52 2krt h ALA 27 Ca -0.44 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 2krt h ALA 27 Cb 1.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2krt h ALA 27 CO 0.72 0.34 -0.28 0.00 0.00 0.00 0.00 179.25 180.03 2krt h ALA 28 N 1.64 0.83 -2.28 0.00 0.00 -1.90 -3.38 119.26 114.18 2krt h ALA 28 Ca 0.12 -0.26 -0.59 0.00 0.00 0.00 0.00 54.91 54.19 2krt h ALA 28 Cb 0.13 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.48 2krt h ALA 28 CO -0.01 0.36 -0.85 1.19 0.00 0.00 0.00 179.25 179.93 2krt n PHE 29 N -3.20 1.27 1.17 0.00 3.72 -0.71 -4.96 117.46 114.74 2krt n PHE 29 Ca 0.02 -3.80 0.09 0.00 -0.05 0.00 0.00 57.45 53.71 2krt n PHE 29 Cb 0.62 -0.34 0.53 0.00 -0.94 0.00 0.00 39.48 39.35 2krt n PHE 29 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2krt n PRO 30 N 1.58 0.59 -1.20 -1.08 -0.04 -0.93 -2.64 135.00 131.28 2krt n PRO 30 Ca 0.25 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.75 2krt n PRO 30 Cb 0.46 -1.47 0.05 0.00 -0.04 0.00 0.00 33.50 32.49 2krt n PRO 30 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2krt n ASN 31 N -0.97 0.98 -4.88 3.54 3.02 -1.26 -4.97 115.26 110.72 2krt n ASN 31 Ca 0.13 -2.28 -0.30 0.00 -0.03 0.00 0.00 54.58 52.11 2krt n ASN 31 Cb 0.06 -0.32 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 2krt n ASN 31 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2krt s GLN 32 N -0.50 3.68 -0.40 3.52 1.03 -1.08 -5.06 119.66 120.85 2krt s GLN 32 Ca 0.29 0.58 -0.07 0.00 0.04 0.00 0.00 55.36 56.20 2krt s GLN 32 Cb 0.33 -2.23 0.08 0.00 0.03 0.00 0.00 33.01 31.21 2krt s GLN 32 CO -0.13 -0.31 0.21 -0.80 -2.54 0.00 0.00 175.29 171.72 2krt s ASN 33 N -3.78 5.45 0.62 12.60 0.02 -1.26 -4.97 114.94 123.63 2krt s ASN 33 Ca 0.53 -1.55 0.31 0.00 -1.02 0.00 0.00 52.86 51.13 2krt s ASN 33 Cb -0.10 -1.92 1.70 0.00 0.02 0.00 0.00 41.25 40.94 2krt s ASN 33 CO 0.43 -0.49 2.03 0.10 0.02 0.00 0.00 177.10 179.20 2krt h TYR 34 N 8.28 0.00 0.00 2.20 -0.00 -1.92 0.34 116.97 125.86 2krt h TYR 34 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.52 2krt h TYR 34 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.80 2krt h TYR 34 CO 0.60 0.00 0.00 -0.25 -0.00 0.00 0.00 178.16 178.51 2krt n ASP 35 N -3.43 0.19 0.00 0.10 9.92 -1.26 -3.60 116.55 118.47 2krt n ASP 35 Ca 0.01 0.56 0.00 0.00 -0.53 0.00 0.00 54.79 54.83 2krt n ASP 35 Cb 0.39 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 2krt n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2krt n GLN 36 N -1.72 2.19 -2.30 -1.24 6.02 0.85 -4.74 117.38 116.45 2krt n GLN 36 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.58 2krt n GLN 36 Cb 0.13 -0.78 -0.02 0.00 1.02 0.00 0.00 30.24 30.59 2krt n GLN 36 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2krt s LEU 37 N -2.66 3.92 0.34 1.08 1.98 0.68 -4.97 118.68 119.06 2krt s LEU 37 Ca 0.00 1.43 -0.29 0.00 -2.89 0.00 0.00 54.13 52.38 2krt s LEU 37 Cb 0.00 -3.54 -0.11 0.00 0.66 0.00 0.00 46.19 43.20 2krt s LEU 37 CO 0.00 -1.12 1.53 -0.76 -1.89 0.00 0.00 176.35 174.12 2krt s LEU 38 N 4.60 4.33 0.34 -0.68 1.43 -1.26 -4.81 118.68 122.63 2krt s LEU 38 Ca 0.62 3.01 0.06 0.00 -1.03 0.00 0.00 54.13 56.79 2krt s LEU 38 Cb -0.21 -3.65 0.72 0.00 0.03 0.00 0.00 46.19 43.08 2krt s LEU 38 CO 0.25 -0.89 1.90 1.55 0.23 0.00 0.00 176.35 179.39 2krt h PRO 39 N 3.78 0.77 -0.79 1.29 0.13 -1.93 -1.33 132.00 133.93 2krt h PRO 39 Ca -0.49 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 64.64 2krt h PRO 39 Cb 1.23 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 2krt h PRO 39 CO 0.71 0.51 0.52 0.77 -0.23 0.00 0.00 178.00 180.27 2krt h SER 40 N 0.80 0.79 -0.06 1.44 0.02 -1.98 -0.41 113.55 114.15 2krt h SER 40 Ca 0.40 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.16 2krt h SER 40 Cb 0.47 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.84 2krt h SER 40 CO -0.17 0.53 -0.68 1.56 -1.14 0.00 0.00 176.83 176.94 2krt h GLN 41 N 0.91 0.58 -0.53 3.45 4.20 -1.63 -3.25 115.11 118.84 2krt h GLN 41 Ca 0.32 -0.53 0.07 0.00 0.06 0.00 0.00 58.65 58.57 2krt h GLN 41 Cb 0.13 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 2krt h GLN 41 CO -0.10 1.16 0.21 0.82 -0.67 0.00 0.00 178.83 180.25 2krt h ILE 42 N 0.19 0.84 -0.63 2.54 2.04 -0.95 -2.90 117.51 118.64 2krt h ILE 42 Ca -0.07 -0.14 0.09 0.00 1.00 0.00 0.00 64.86 65.75 2krt h ILE 42 Cb 1.34 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.75 2krt h ILE 42 CO 0.14 0.07 0.26 0.22 0.00 0.00 0.00 178.15 178.84 2krt h TYR 43 N 0.41 0.45 0.00 1.37 3.20 -1.13 -2.62 116.97 118.65 2krt h TYR 43 Ca 0.26 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2krt h TYR 43 Cb 0.26 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2krt h TYR 43 CO -0.15 0.13 0.00 0.87 -1.64 0.00 0.00 178.16 177.37 2krt h LYS 44 N 0.45 0.00 0.00 1.82 1.79 -1.55 -1.86 116.57 117.22 2krt h LYS 44 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2krt h LYS 44 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2krt h LYS 44 CO -0.30 0.00 0.00 -1.71 -1.08 0.00 0.00 179.45 176.36 2krt n ASN 45 N -2.43 0.00 0.03 0.86 4.05 -0.99 -3.69 115.26 113.10 2krt n ASN 45 Ca -0.00 0.38 0.21 0.00 0.45 0.00 0.00 54.58 55.62 2krt n ASN 45 Cb 0.13 -0.46 0.73 0.00 1.23 0.00 0.00 39.78 41.41 2krt n ASN 45 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 177.26 174.31 2krt h TYR 46 N 0.00 0.00 0.00 1.20 -0.00 -1.51 0.30 116.97 116.95 2krt h TYR 46 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.63 2krt h TYR 46 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.14 2krt h TYR 46 CO 0.00 0.00 -0.49 -0.92 -0.00 0.00 0.00 178.16 176.75 2krt h TYR 47 N 0.00 0.00 0.00 0.10 3.20 -1.83 -3.28 116.97 115.16 2krt h TYR 47 Ca 0.24 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 2krt h TYR 47 Cb 1.13 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 2krt h TYR 47 CO 0.00 0.49 -0.69 1.96 -1.64 0.00 0.00 178.16 178.28 2krt h GLN 48 N 0.00 0.00 0.00 1.82 7.50 -1.25 -3.51 115.11 119.67 2krt h GLN 48 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2krt h GLN 48 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.48 2krt h GLN 48 CO 0.06 0.72 0.00 0.41 -1.50 0.00 0.00 178.83 178.52 2krt n GLY 49 N 1.54 4.60 3.47 3.46 0.00 -0.69 -5.04 105.19 112.53 2krt n GLY 49 Ca -0.19 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 2krt n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2krt s ILE 50 N -2.00 3.58 -0.18 -0.61 1.01 -1.26 -2.82 121.20 118.91 2krt s ILE 50 Ca 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 2krt s ILE 50 Cb 0.00 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 2krt s ILE 50 CO 0.00 0.52 0.29 -1.61 0.00 0.00 0.00 174.94 174.15 2krt s GLU 51 N 0.12 4.21 -0.37 2.79 2.02 0.37 -4.94 118.70 122.90 2krt s GLU 51 Ca -0.03 0.06 -0.10 0.00 0.02 0.00 0.00 54.97 54.92 2krt s GLU 51 Cb -0.14 -3.47 0.03 0.00 0.10 0.00 0.00 34.13 30.66 2krt s GLU 51 CO 0.03 0.15 0.20 0.42 0.02 0.00 0.00 175.26 176.08 2krt s ILE 52 N 0.74 4.42 -0.57 -1.63 -1.09 -1.26 -0.50 121.20 121.31 2krt s ILE 52 Ca 0.15 -0.96 -0.28 0.00 -2.23 0.00 0.00 60.65 57.34 2krt s ILE 52 Cb -0.13 -3.50 0.03 0.00 -1.58 0.00 0.00 42.46 37.28 2krt s ILE 52 CO 0.05 -0.25 1.18 -1.58 -1.23 0.00 0.00 174.94 173.10 2krt s GLN 53 N 1.52 3.53 0.28 2.79 2.00 -0.29 -4.98 119.66 124.51 2krt s GLN 53 Ca 0.01 0.27 -0.30 0.00 -2.00 0.00 0.00 55.36 53.34 2krt s GLN 53 Cb -0.20 -4.01 -0.11 0.00 0.80 0.00 0.00 33.01 29.50 2krt s GLN 53 CO 0.06 -1.65 1.56 1.14 -0.50 0.00 0.00 175.29 175.90 2krt s GLN 54 N 4.89 4.15 0.00 1.67 1.03 -1.26 -2.24 119.66 127.89 2krt s GLN 54 Ca 0.43 2.52 0.00 0.00 0.04 0.00 0.00 55.36 58.35 2krt s GLN 54 Cb -0.07 -3.04 0.00 0.00 0.03 0.00 0.00 33.01 29.92 2krt s GLN 54 CO 0.26 -0.58 0.61 1.58 -2.54 0.00 0.00 175.29 174.61 2krt n HIS 55 N 2.18 0.00 -2.99 9.60 -0.00 -1.16 -4.90 115.22 117.94 2krt n HIS 55 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2krt n HIS 55 Cb 0.38 0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.29 2krt n HIS 55 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2krt n LYS 56 N 0.00 0.00 -2.04 1.57 4.81 -1.20 -4.74 118.16 116.56 2krt n LYS 56 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 2krt n LYS 56 Cb 0.57 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.56 2krt n LYS 56 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2krt s TYR 57 N -6.70 1.88 -1.51 5.64 1.51 -1.26 -4.72 117.35 112.20 2krt s TYR 57 Ca 0.00 0.58 0.29 0.00 -1.01 0.00 0.00 57.07 56.93 2krt s TYR 57 Cb 0.00 -3.99 1.29 0.00 -0.11 0.00 0.00 41.96 39.15 2krt s TYR 57 CO 0.00 -1.35 1.91 1.04 -1.11 0.00 0.00 175.55 176.03 2krt n GLN 58 N 8.46 0.53 0.08 -0.62 1.13 -1.26 -3.84 117.38 121.86 2krt n GLN 58 Ca 0.43 -0.13 0.19 0.00 -1.94 0.00 0.00 57.00 55.55 2krt n GLN 58 Cb 0.47 -1.50 0.73 0.00 0.11 0.00 0.00 30.24 30.05 2krt n GLN 58 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 2krt h ASN 59 N 0.32 0.00 0.00 1.08 -0.73 -2.01 -3.06 115.58 111.19 2krt h ASN 59 Ca 0.00 0.00 -0.43 0.00 1.87 0.00 0.00 56.30 57.74 2krt h ASN 59 Cb 0.35 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.87 2krt h ASN 59 CO 0.00 0.00 -2.51 1.21 -0.37 0.00 0.00 177.43 175.76 2krt n GLU 60 N -4.11 0.62 -5.12 6.67 4.07 -1.25 -4.64 120.64 116.88 2krt n GLU 60 Ca 0.06 0.22 -0.30 0.00 -0.06 0.00 0.00 57.16 57.08 2krt n GLU 60 Cb 0.51 -1.51 -0.17 0.00 -0.06 0.00 0.00 31.44 30.22 2krt n GLU 60 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 2krt s LEU 61 N -7.09 2.01 -0.19 4.31 2.34 -1.15 -1.21 118.68 117.70 2krt s LEU 61 Ca -0.37 -0.50 -0.20 0.00 0.06 0.00 0.00 54.13 53.13 2krt s LEU 61 Cb 0.12 -1.29 -0.03 0.00 -0.56 0.00 0.00 46.19 44.44 2krt s LEU 61 CO 0.54 0.17 0.57 -0.62 -1.06 0.00 0.00 176.35 175.95 2krt s ASP 62 N 0.21 6.64 -0.40 1.48 -1.08 -0.77 -4.47 116.67 118.28 2krt s ASP 62 Ca -0.13 0.77 -0.14 0.00 -0.52 0.00 0.00 52.55 52.53 2krt s ASP 62 Cb -0.16 -2.32 0.03 0.00 -1.46 0.00 0.00 42.92 39.01 2krt s ASP 62 CO 0.06 -0.21 0.28 -0.63 0.52 0.00 0.00 175.17 175.19 2krt s ILE 63 N 1.68 5.01 -0.01 4.11 1.01 -1.26 -2.54 121.20 129.19 2krt s ILE 63 Ca 0.27 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2krt s ILE 63 Cb -0.16 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.51 2krt s ILE 63 CO 0.10 -0.32 -0.01 -0.54 0.00 0.00 0.00 174.94 174.18 2krt s LYS 64 N 1.63 0.15 -0.01 2.79 -0.14 -1.25 -4.86 119.74 118.05 2krt s LYS 64 Ca 0.04 0.01 -0.13 0.00 -1.36 0.00 0.00 55.97 54.53 2krt s LYS 64 Cb -0.20 -0.24 -0.05 0.00 -1.68 0.00 0.00 37.83 35.66 2krt s LYS 64 CO 0.08 -0.04 0.37 0.42 -0.76 0.00 0.00 175.35 175.42 2krt s ILE 65 N 0.40 5.11 -0.16 2.17 1.01 -1.26 -0.75 121.20 127.72 2krt s ILE 65 Ca -0.04 0.70 -0.14 0.00 0.00 0.00 0.00 60.65 61.17 2krt s ILE 65 Cb -0.06 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 2krt s ILE 65 CO -0.01 0.56 -0.28 -0.38 0.00 0.00 0.00 174.94 174.83 2krt n ILE 66 N 1.75 1.42 -3.31 2.92 5.41 0.30 -4.93 119.36 122.93 2krt n ILE 66 Ca -0.14 0.18 -0.03 0.00 1.00 0.00 0.00 62.75 63.76 2krt n ILE 66 Cb 0.53 -2.34 0.01 0.00 -0.71 0.00 0.00 39.64 37.13 2krt n ILE 66 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2krt n ASN 67 N -4.44 -0.67 -4.10 4.38 0.23 -1.26 -5.03 115.26 104.38 2krt n ASN 67 Ca -0.11 -1.50 -0.29 0.00 -0.53 0.00 0.00 54.58 52.15 2krt n ASN 67 Cb 0.42 1.12 -0.17 0.00 -2.08 0.00 0.00 39.78 39.07 2krt n ASN 67 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 2krt s PHE 68 N -6.56 2.07 0.29 -2.53 0.08 -1.26 -2.57 117.98 107.50 2krt s PHE 68 Ca 0.05 -0.93 0.09 0.00 0.12 0.00 0.00 56.93 56.27 2krt s PHE 68 Cb -0.01 -1.46 -0.06 0.00 -0.57 0.00 0.00 43.02 40.92 2krt s PHE 68 CO 0.04 -0.44 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.09 2krt s LEU 69 N 0.78 2.61 0.13 -0.37 1.02 -0.51 -5.01 118.68 117.34 2krt s LEU 69 Ca -0.11 -1.13 -0.30 0.00 0.02 0.00 0.00 54.13 52.62 2krt s LEU 69 Cb -0.16 -0.90 -0.06 0.00 0.02 0.00 0.00 46.19 45.09 2krt s LEU 69 CO 0.01 -0.17 0.95 -0.31 0.02 0.00 0.00 176.35 176.86 2krt s TYR 70 N -2.73 3.84 0.19 0.29 2.02 -1.26 -0.49 117.35 119.22 2krt s TYR 70 Ca 0.30 1.81 -0.07 0.00 -0.37 0.00 0.00 57.07 58.74 2krt s TYR 70 Cb 0.00 -3.03 0.12 0.00 -0.40 0.00 0.00 41.96 38.65 2krt s TYR 70 CO 0.14 0.25 1.62 -1.00 -1.57 0.00 0.00 175.55 174.99 2krt h PRO 71 N 5.32 0.91 0.01 -1.71 0.13 -1.88 -3.34 132.00 131.45 2krt h PRO 71 Ca -0.43 -0.35 -0.29 0.00 -0.87 0.00 0.00 66.00 64.06 2krt h PRO 71 Cb 1.21 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 2krt h PRO 71 CO 0.71 1.00 -1.61 -3.47 -0.23 0.00 0.00 178.00 174.40 2krt n ASP 72 N -4.13 1.90 0.00 1.44 2.03 -1.26 -5.02 116.55 111.50 2krt n ASP 72 Ca 0.01 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.70 2krt n ASP 72 Cb 0.41 -0.92 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 2krt n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krt n GLY 73 N 1.43 4.28 3.79 0.27 0.00 -1.25 -5.12 105.19 108.59 2krt n GLY 73 Ca -0.37 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 2krt n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2krt s ASP 74 N -0.01 7.05 0.20 1.61 2.15 -1.26 -4.91 116.67 121.50 2krt s ASP 74 Ca 0.00 1.25 -0.11 0.00 0.43 0.00 0.00 52.55 54.12 2krt s ASP 74 Cb 0.00 -2.37 0.14 0.00 -0.30 0.00 0.00 42.92 40.39 2krt s ASP 74 CO 0.00 0.19 1.88 2.19 -0.17 0.00 0.00 175.17 179.26 2krt h PHE 75 N 5.02 0.91 -0.34 -5.34 -0.00 -1.99 -1.33 116.94 113.87 2krt h PHE 75 Ca -0.47 0.02 -0.16 0.00 -0.00 0.00 0.00 57.97 57.36 2krt h PHE 75 Cb 1.21 -0.31 -0.00 0.00 -0.00 0.00 0.00 35.95 36.85 2krt h PHE 75 CO 0.67 0.57 -0.41 0.78 -0.00 0.00 0.00 178.31 179.92 2krt h GLY 76 N 0.98 0.96 2.00 6.09 0.00 -1.98 -0.14 103.07 110.98 2krt h GLY 76 Ca 0.26 -1.02 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 2krt h GLY 76 CO -0.06 0.92 -0.13 0.23 0.00 0.00 0.00 176.54 177.50 2krt h SER 77 N 0.68 0.00 0.03 0.19 0.87 -1.94 0.44 113.55 113.83 2krt h SER 77 Ca 0.05 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 2krt h SER 77 Cb 1.01 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.97 2krt h SER 77 CO 0.10 0.14 -0.30 0.00 -0.53 0.00 0.00 176.83 176.23 2krt h ALA 78 N 1.87 -0.01 -0.49 6.23 0.00 -1.05 -3.34 119.26 122.48 2krt h ALA 78 Ca -0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 2krt h ALA 78 Cb 0.23 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2krt h ALA 78 CO 0.02 0.13 0.05 -0.97 0.00 0.00 0.00 179.25 178.47 2krt h ASN 79 N -0.62 0.74 -0.84 0.00 -1.24 -0.78 0.36 115.58 113.20 2krt h ASN 79 Ca -0.05 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 56.80 2krt h ASN 79 Cb 1.15 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 39.96 2krt h ASN 79 CO 0.06 0.78 0.52 0.07 -1.29 0.00 0.00 177.43 177.56 2krt h LYS 80 N 0.74 1.13 0.00 6.67 2.10 -1.06 -2.55 116.57 123.60 2krt h LYS 80 Ca 0.15 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2krt h LYS 80 Cb 0.38 -0.24 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2krt h LYS 80 CO 0.01 0.78 -0.91 0.09 -2.00 0.00 0.00 179.45 177.42 2krt n ASN 81 N -4.45 0.68 -2.13 7.07 3.02 -1.15 -0.31 115.26 117.98 2krt n ASN 81 Ca 0.09 -0.45 -0.13 0.00 -0.03 0.00 0.00 54.58 54.05 2krt n ASN 81 Cb 0.05 0.75 0.04 0.00 -0.61 0.00 0.00 39.78 40.01 2krt n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2krt n GLY 82 N 1.44 0.07 3.74 7.41 0.00 0.11 -4.54 105.19 113.42 2krt n GLY 82 Ca 0.03 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2krt n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2krt s THR 83 N -3.10 4.54 -0.01 2.61 -4.23 -0.40 -1.02 115.64 114.05 2krt s THR 83 Ca 0.29 -0.33 -0.01 0.00 -1.18 0.00 0.00 61.69 60.46 2krt s THR 83 Cb -0.13 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.71 2krt s THR 83 CO 0.35 0.47 0.01 -0.22 -0.54 0.00 0.00 174.62 174.70 2krt s LEU 84 N -1.34 1.95 -0.45 4.79 2.96 -0.06 -4.58 118.68 121.93 2krt s LEU 84 Ca 0.18 0.02 -0.20 0.00 -0.22 0.00 0.00 54.13 53.92 2krt s LEU 84 Cb -0.12 0.05 0.03 0.00 0.50 0.00 0.00 46.19 46.66 2krt s LEU 84 CO 0.08 -0.01 0.60 -0.54 -1.32 0.00 0.00 176.35 175.16 2krt s LYS 85 N -0.02 3.20 -0.14 1.98 1.02 0.35 -1.57 119.74 124.57 2krt s LYS 85 Ca -0.00 -0.57 -0.25 0.00 0.02 0.00 0.00 55.97 55.17 2krt s LYS 85 Cb -0.00 -3.99 -0.02 0.00 -0.52 0.00 0.00 37.83 33.30 2krt s LYS 85 CO 0.00 -1.04 0.79 -0.51 -0.92 0.00 0.00 175.35 173.67 2krt s LEU 86 N 2.66 4.21 -0.61 3.17 1.43 0.37 -1.42 118.68 128.50 2krt s LEU 86 Ca 0.19 1.16 -0.20 0.00 -1.03 0.00 0.00 54.13 54.25 2krt s LEU 86 Cb -0.16 -3.18 0.09 0.00 0.03 0.00 0.00 46.19 42.97 2krt s LEU 86 CO 0.16 -0.31 0.78 -0.94 0.23 0.00 0.00 176.35 176.26 2krt s SER 87 N 1.08 6.18 -0.12 2.29 1.04 -1.06 -0.60 113.70 122.51 2krt s SER 87 Ca 0.38 -1.30 -0.06 0.00 0.48 0.00 0.00 55.95 55.45 2krt s SER 87 Cb -0.17 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 2krt s SER 87 CO 0.14 -1.20 0.10 -0.76 0.98 0.00 0.00 173.24 172.49 2krt s LEU 88 N 3.08 4.12 -0.43 2.42 1.02 -0.61 -0.54 118.68 127.74 2krt s LEU 88 Ca 0.15 0.34 -0.10 0.00 0.02 0.00 0.00 54.13 54.54 2krt s LEU 88 Cb -0.22 -1.99 0.09 0.00 0.02 0.00 0.00 46.19 44.08 2krt s LEU 88 CO 0.07 0.37 0.29 0.00 0.02 0.00 0.00 176.35 177.11 2krt s MET 89 N -0.82 2.61 -0.41 1.70 0.23 0.07 -0.60 119.30 122.09 2krt s MET 89 Ca 0.13 -1.52 -0.24 0.00 -1.03 0.00 0.00 55.69 53.04 2krt s MET 89 Cb -0.12 -3.84 0.02 0.00 -1.53 0.00 0.00 34.83 29.36 2krt s MET 89 CO 0.03 -1.01 0.82 -0.51 -2.03 0.00 0.00 175.02 172.32 2krt s LEU 90 N 1.43 4.14 -0.40 0.18 2.01 0.18 -3.75 118.68 122.47 2krt s LEU 90 Ca 0.04 0.17 -0.21 0.00 0.01 0.00 0.00 54.13 54.14 2krt s LEU 90 Cb -0.24 -3.05 0.01 0.00 0.01 0.00 0.00 46.19 42.92 2krt s LEU 90 CO 0.02 -0.86 0.66 -0.89 1.01 0.00 0.00 176.35 176.29 2krt s THR 91 N 3.31 4.83 0.18 5.49 2.01 -1.05 -0.99 115.64 129.41 2krt s THR 91 Ca 0.32 0.40 -0.32 0.00 0.31 0.00 0.00 61.69 62.41 2krt s THR 91 Cb -0.12 -4.16 -0.11 0.00 0.01 0.00 0.00 72.50 68.12 2krt s THR 91 CO 0.21 -0.47 1.72 -0.62 -0.69 0.00 0.00 174.62 174.76 2krt s ASP 92 N 1.92 6.43 0.26 3.53 -1.08 0.25 -1.85 116.67 126.13 2krt s ASP 92 Ca 0.25 2.79 0.24 0.00 -0.52 0.00 0.00 52.55 55.31 2krt s ASP 92 Cb -0.14 -2.59 0.36 0.00 -1.46 0.00 0.00 42.92 39.09 2krt s ASP 92 CO 0.17 -0.95 1.44 0.11 0.52 0.00 0.00 175.17 176.46 2krt h LYS 93 N 7.25 0.00 0.00 4.34 1.79 -1.42 0.15 116.57 128.68 2krt h LYS 93 Ca -0.44 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 57.76 2krt h LYS 93 Cb 1.20 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.80 2krt h LYS 93 CO 0.95 0.00 -2.01 0.36 -1.08 0.00 0.00 179.45 177.67 2krt n LYS 94 N -2.59 0.66 -0.00 3.15 2.85 -1.26 -4.51 118.16 116.46 2krt n LYS 94 Ca 0.03 0.08 0.03 0.00 -1.05 0.00 0.00 58.31 57.40 2krt n LYS 94 Cb 0.49 -1.64 -0.04 0.00 -0.65 0.00 0.00 35.03 33.20 2krt n LYS 94 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2krt n ASN 95 N -2.79 2.14 -1.78 -5.58 5.03 -1.25 -5.02 115.26 106.02 2krt n ASN 95 Ca -0.22 -0.29 -0.16 0.00 0.87 0.00 0.00 54.58 54.78 2krt n ASN 95 Cb 1.01 1.13 -0.01 0.00 -1.02 0.00 0.00 39.78 40.89 2krt n ASN 95 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2krt n ASN 96 N -1.43 -4.80 -4.75 6.41 3.02 0.51 -5.00 115.26 109.22 2krt n ASN 96 Ca -0.00 0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.17 2krt n ASN 96 Cb 0.11 -3.90 -0.06 0.00 -0.61 0.00 0.00 39.78 35.33 2krt n ASN 96 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2krt s GLN 97 N -4.67 4.70 -0.31 3.52 -1.52 -1.23 -4.78 119.66 115.36 2krt s GLN 97 Ca 0.00 1.33 -0.14 0.00 -1.95 0.00 0.00 55.36 54.59 2krt s GLN 97 Cb 0.00 -3.30 -0.03 0.00 -0.22 0.00 0.00 33.01 29.46 2krt s GLN 97 CO 0.00 0.46 0.32 0.54 -0.25 0.00 0.00 175.29 176.36 2krt s VAL 98 N -0.84 5.21 -0.09 1.09 0.11 -1.26 -0.58 120.40 124.03 2krt s VAL 98 Ca 0.40 0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.63 2krt s VAL 98 Cb -0.24 -3.73 -0.02 0.00 -1.53 0.00 0.00 36.38 30.86 2krt s VAL 98 CO 0.29 0.04 -0.12 -0.47 -3.33 0.00 0.00 175.10 171.51 2krt s TYR 99 N 1.96 2.81 -0.30 1.54 5.04 -0.16 -4.96 117.35 123.27 2krt s TYR 99 Ca 0.11 -0.34 -0.11 0.00 -2.44 0.00 0.00 57.07 54.29 2krt s TYR 99 Cb -0.16 -1.76 -0.02 0.00 0.35 0.00 0.00 41.96 40.37 2krt s TYR 99 CO 0.11 0.02 0.18 0.71 -1.34 0.00 0.00 175.55 175.23 2krt s TYR 100 N -0.21 3.19 -0.22 4.97 2.02 -1.26 0.49 117.35 126.33 2krt s TYR 100 Ca 0.01 -0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 56.40 2krt s TYR 100 Cb -0.13 -2.38 0.00 0.00 -0.40 0.00 0.00 41.96 39.05 2krt s TYR 100 CO 0.03 -0.34 -0.07 0.21 -1.57 0.00 0.00 175.55 173.81 2krt s LYS 101 N 1.68 3.25 -0.38 -0.62 2.47 0.24 -4.99 119.74 121.39 2krt s LYS 101 Ca 0.06 -0.70 -0.21 0.00 -1.56 0.00 0.00 55.97 53.55 2krt s LYS 101 Cb -0.17 -2.94 0.01 0.00 -1.46 0.00 0.00 37.83 33.27 2krt s LYS 101 CO 0.08 -0.23 0.69 -0.51 0.16 0.00 0.00 175.35 175.55 2krt s LEU 102 N 1.43 4.25 -0.49 5.43 1.43 -1.26 -1.58 118.68 127.90 2krt s LEU 102 Ca 0.05 0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 2krt s LEU 102 Cb -0.14 -2.86 0.08 0.00 0.03 0.00 0.00 46.19 43.30 2krt s LEU 102 CO -0.05 -0.68 0.44 -0.76 0.23 0.00 0.00 176.35 175.52 2krt s LEU 103 N 2.89 5.68 -0.60 1.79 1.43 0.24 -4.87 118.68 125.23 2krt s LEU 103 Ca 0.27 -1.39 -0.23 0.00 -1.03 0.00 0.00 54.13 51.75 2krt s LEU 103 Cb -0.14 -2.21 0.06 0.00 0.03 0.00 0.00 46.19 43.93 2krt s LEU 103 CO 0.17 -0.71 0.94 -1.83 0.23 0.00 0.00 176.35 175.14 2krt s GLU 104 N 1.72 3.21 0.10 1.70 -1.05 -1.26 -0.48 118.70 122.64 2krt s GLU 104 Ca 0.05 -0.57 0.08 0.00 -0.15 0.00 0.00 54.97 54.37 2krt s GLU 104 Cb -0.25 -4.14 -0.03 0.00 -0.44 0.00 0.00 34.13 29.27 2krt s GLU 104 CO 0.06 -1.64 -0.20 0.14 0.95 0.00 0.00 175.26 174.58 2krt s VAL 105 N 3.95 1.63 0.42 1.83 -7.23 -0.61 -4.91 120.40 115.48 2krt s VAL 105 Ca 0.25 -1.53 0.04 0.00 -1.81 0.00 0.00 61.98 58.93 2krt s VAL 105 Cb -0.15 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.29 2krt s VAL 105 CO 0.14 -0.10 0.60 -0.44 -0.31 0.00 0.00 175.10 175.00 2krt s SER 106 N -1.93 5.75 0.00 4.85 0.01 -1.26 -0.88 113.70 120.24 2krt s SER 106 Ca 0.06 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2krt s SER 106 Cb -0.10 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 64.98 2krt s SER 106 CO 0.04 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.60 2krt n GLY 107 N -1.93 1.35 0.04 3.44 0.00 -0.19 -4.95 105.19 102.95 2krt n GLY 107 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 2krt n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2krt n PHE 108 N 0.00 0.29 -3.91 1.61 3.01 -0.93 -4.53 117.46 113.00 2krt n PHE 108 Ca 0.00 0.10 0.01 0.00 1.01 0.00 0.00 57.45 58.57 2krt n PHE 108 Cb 0.00 -0.66 0.01 0.00 -0.01 0.00 0.00 39.48 38.82 2krt n PHE 108 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2krt n LYS 109 N -1.75 0.27 -2.75 -1.08 4.76 -1.25 -4.59 118.16 111.77 2krt n LYS 109 Ca 0.04 -0.80 0.00 0.00 -2.87 0.00 0.00 58.31 54.68 2krt n LYS 109 Cb 0.25 1.21 0.01 0.00 -1.84 0.00 0.00 35.03 34.67 2krt n LYS 109 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2krt s SER 110 N -3.11 -0.39 -0.50 4.39 1.04 -1.24 -3.57 113.70 110.33 2krt s SER 110 Ca 0.22 -0.29 0.06 0.00 0.48 0.00 0.00 55.95 56.42 2krt s SER 110 Cb -0.01 0.50 0.22 0.00 0.10 0.00 0.00 66.02 66.82 2krt s SER 110 CO 0.01 -0.03 0.52 0.59 0.98 0.00 0.00 173.24 175.31 2krt n ASN 111 N 3.35 1.21 0.39 7.02 5.03 0.57 -4.99 115.26 127.84 2krt n ASN 111 Ca 0.08 -2.85 -0.17 0.00 0.87 0.00 0.00 54.58 52.51 2krt n ASN 111 Cb 0.63 -0.64 -0.09 0.00 -1.02 0.00 0.00 39.78 38.67 2krt n ASN 111 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2krt h PRO 112 N 4.69 -0.95 -0.46 3.52 0.13 -1.87 -3.29 132.00 133.77 2krt h PRO 112 Ca 0.16 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2krt h PRO 112 Cb 0.82 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2krt h PRO 112 CO 0.56 -0.61 0.00 2.48 -0.23 0.00 0.00 178.00 180.19 2krt n TYR 113 N -5.48 1.01 -0.00 1.56 0.18 -1.26 -4.43 117.16 108.74 2krt n TYR 113 Ca -0.14 -0.64 0.05 0.00 1.88 0.00 0.00 57.90 59.06 2krt n TYR 113 Cb 0.40 -0.18 -0.13 0.00 -0.38 0.00 0.00 39.34 39.05 2krt n TYR 113 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 2krt n LEU 114 N 0.54 0.28 -4.58 -3.48 4.77 -1.24 -4.89 117.00 108.40 2krt n LEU 114 Ca 0.20 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.88 2krt n LEU 114 Cb 0.74 0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.90 2krt n LEU 114 CO 0.16 0.09 1.28 -0.70 -1.33 0.00 0.00 177.39 176.90 2krt s GLU 115 N -3.19 3.33 0.02 3.23 2.56 -1.25 -4.98 118.70 118.43 2krt s GLU 115 Ca -0.06 0.62 0.01 0.00 0.00 0.00 0.00 54.97 55.53 2krt s GLU 115 Cb 0.11 -4.12 -0.02 0.00 2.00 0.00 0.00 34.13 32.10 2krt s GLU 115 CO 0.86 -1.89 -0.04 -1.01 -0.56 0.00 0.00 175.26 172.63 2krt s HIS 116 N 6.10 0.32 0.17 5.30 3.76 -1.26 -5.12 115.29 124.55 2krt s HIS 116 Ca 0.56 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 55.07 2krt s HIS 116 Cb -0.12 -0.21 -0.05 0.00 1.11 0.00 0.00 32.58 33.31 2krt s HIS 116 CO 0.27 -0.13 -0.01 -1.01 -0.85 0.00 0.00 174.74 173.01 2krt s HIS 117 N -1.16 1.21 -0.20 1.40 3.76 -1.26 -5.14 115.29 113.89 2krt s HIS 117 Ca -0.11 -0.99 -0.17 0.00 -0.15 0.00 0.00 55.06 53.63 2krt s HIS 117 Cb -0.08 -0.68 -0.03 0.00 1.11 0.00 0.00 32.58 32.89 2krt s HIS 117 CO -0.01 -0.18 0.48 -1.58 -0.85 0.00 0.00 174.74 172.60 2krt s HIS 118 N -3.62 3.37 -0.15 1.40 2.46 -1.26 -4.96 115.29 112.53 2krt s HIS 118 Ca 0.23 0.71 -0.15 0.00 0.47 0.00 0.00 55.06 56.32 2krt s HIS 118 Cb 0.06 -2.62 -0.06 0.00 -0.13 0.00 0.00 32.58 29.83 2krt s HIS 118 CO 0.03 -0.08 -0.29 0.72 -2.47 0.00 0.00 174.74 172.65 2krt n HIS 119 N 4.71 0.00 -4.20 3.88 8.25 -1.26 -5.08 115.22 121.52 2krt n HIS 119 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.28 2krt n HIS 119 Cb 0.51 -0.46 -0.10 0.00 1.12 0.00 0.00 29.99 31.05 2krt n HIS 119 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2krt s HIS 120 N -2.73 1.05 -2.47 4.41 -3.43 -1.26 -5.40 115.29 105.46 2krt s HIS 120 Ca -0.25 -1.08 0.28 0.00 -0.80 0.00 0.00 55.06 53.21 2krt s HIS 120 Cb 0.04 -0.60 1.10 0.00 -1.43 0.00 0.00 32.58 31.69 2krt s HIS 120 CO 0.37 -0.31 1.77 1.58 -2.00 0.00 0.00 174.74 176.15