#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 2.55 -0.32 4.03 2.01 -1.26 -5.12 118.68 120.58 2krt s LEU 2 Ca 0.00 -0.35 -0.09 0.00 0.01 0.00 0.00 54.13 53.70 2krt s LEU 2 Cb 0.00 -1.54 0.01 0.00 0.01 0.00 0.00 46.19 44.67 2krt s LEU 2 CO 0.00 0.22 0.13 -0.55 1.01 0.00 0.00 176.35 177.17 2krt s SER 3 N 0.00 5.43 -0.93 2.29 0.15 -1.26 -5.04 113.70 114.34 2krt s SER 3 Ca -0.05 -0.68 -0.17 0.00 0.70 0.00 0.00 55.95 55.75 2krt s SER 3 Cb -0.15 -1.96 0.16 0.00 -1.71 0.00 0.00 66.02 62.37 2krt s SER 3 CO 0.04 -0.23 1.06 -1.10 1.20 0.00 0.00 173.24 174.22 2krt s GLN 4 N 1.56 3.66 -0.21 5.44 -0.21 -1.26 -4.80 119.66 123.85 2krt s GLN 4 Ca 0.03 -2.05 -0.13 0.00 0.02 0.00 0.00 55.36 53.24 2krt s GLN 4 Cb -0.18 -4.80 0.06 0.00 1.00 0.00 0.00 33.01 29.10 2krt s GLN 4 CO 0.05 -1.64 0.51 0.00 -2.12 0.00 0.00 175.29 172.10 2krt s ALA 5 N 1.84 -1.34 0.40 6.09 0.00 -1.26 -5.04 121.76 122.45 2krt s ALA 5 Ca 0.30 1.79 0.13 0.00 0.00 0.00 0.00 51.96 54.17 2krt s ALA 5 Cb -0.06 -1.06 0.96 0.00 0.00 0.00 0.00 23.12 22.96 2krt s ALA 5 CO -0.09 -0.30 1.90 -0.91 0.00 0.00 0.00 175.76 176.37 2krt h ASN 6 N 6.78 0.49 -0.65 0.00 -0.26 -1.99 0.11 115.58 120.05 2krt h ASN 6 Ca -0.33 0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.40 2krt h ASN 6 Cb 1.20 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 38.35 2krt h ASN 6 CO 0.24 0.25 0.27 1.05 -1.06 0.00 0.00 177.43 178.18 2krt h GLU 7 N 0.52 1.00 0.01 0.81 4.11 -1.98 0.84 114.58 119.89 2krt h GLU 7 Ca 0.39 -0.17 -0.24 0.00 0.07 0.00 0.00 59.36 59.41 2krt h GLU 7 Cb 0.79 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.88 2krt h GLU 7 CO -0.15 0.81 -1.00 0.22 0.07 0.00 0.00 179.01 178.96 2krt h ASP 8 N 0.98 0.67 -0.01 3.06 3.58 -1.20 -2.24 116.42 121.27 2krt h ASP 8 Ca 0.23 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 57.13 2krt h ASP 8 Cb 0.19 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 2krt h ASP 8 CO -0.02 1.35 -0.02 -0.26 -2.88 0.00 0.00 179.24 177.41 2krt h PHE 9 N 0.28 0.04 -0.62 0.28 0.04 -1.15 -2.98 116.94 112.82 2krt h PHE 9 Ca -0.10 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.74 2krt h PHE 9 Cb 1.65 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.75 2krt h PHE 9 CO 0.08 0.56 0.41 1.57 -0.60 0.00 0.00 178.31 180.33 2krt h LYS 10 N -0.50 0.51 -0.27 1.51 2.10 -0.92 -0.67 116.57 118.33 2krt h LYS 10 Ca 0.00 -0.03 0.06 0.00 -2.00 0.00 0.00 60.65 58.68 2krt h LYS 10 Cb 0.56 -0.11 -0.07 0.00 -0.90 0.00 0.00 32.23 31.70 2krt h LYS 10 CO 0.00 0.34 -0.17 -0.22 -2.00 0.00 0.00 179.45 177.40 2krt h LYS 11 N 0.52 -0.14 -0.94 0.07 3.64 -1.35 0.26 116.57 118.63 2krt h LYS 11 Ca 0.28 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.72 2krt h LYS 11 Cb 0.42 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.21 2krt h LYS 11 CO -0.08 -0.10 0.61 0.82 -2.27 0.00 0.00 179.45 178.43 2krt h ILE 12 N -0.15 1.11 -0.36 2.00 2.04 -0.99 0.47 117.51 121.63 2krt h ILE 12 Ca 0.15 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 2krt h ILE 12 Cb 0.37 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 2krt h ILE 12 CO -0.36 0.20 -0.15 0.58 0.00 0.00 0.00 178.15 178.43 2krt h VAL 13 N 1.12 1.25 0.00 1.67 2.07 -0.75 -2.19 116.25 119.43 2krt h VAL 13 Ca 0.39 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2krt h VAL 13 Cb 0.11 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2krt h VAL 13 CO -0.14 0.39 -0.28 0.78 0.02 0.00 0.00 177.57 178.34 2krt h ASN 14 N 0.59 0.00 -0.47 0.57 2.35 -0.17 -3.27 115.58 115.17 2krt h ASN 14 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2krt h ASN 14 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2krt h ASN 14 CO 0.04 0.08 0.00 0.59 -1.65 0.00 0.00 177.43 176.49 2krt n ASN 15 N -3.04 3.96 -4.55 5.81 5.03 0.16 -4.91 115.26 117.71 2krt n ASN 15 Ca 0.03 -2.45 -0.33 0.00 0.87 0.00 0.00 54.58 52.70 2krt n ASN 15 Cb 0.57 -0.54 -0.04 0.00 -1.02 0.00 0.00 39.78 38.75 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 -1.94 3.11 0.02 2.41 1.01 -0.87 -4.80 121.20 120.15 2krt s ILE 16 Ca 0.39 0.03 -0.00 0.00 0.00 0.00 0.00 60.65 61.07 2krt s ILE 16 Cb 0.27 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 2krt s ILE 16 CO 0.16 -0.28 0.11 -0.60 0.00 0.00 0.00 174.94 174.34 2krt s ARG 17 N 7.99 3.14 0.00 2.79 6.06 -1.26 -4.97 118.95 132.69 2krt s ARG 17 Ca 0.88 -0.49 -0.01 0.00 -2.50 0.00 0.00 55.73 53.60 2krt s ARG 17 Cb -0.15 -2.90 -0.07 0.00 0.06 0.00 0.00 34.95 31.90 2krt s ARG 17 CO 0.21 0.63 1.86 1.47 -2.50 0.00 0.00 175.30 176.98 2krt n LEU 18 N 0.88 3.76 0.20 -0.88 -0.00 -1.26 -2.35 117.00 117.35 2krt n LEU 18 Ca -0.11 -1.94 0.00 0.00 -0.00 0.00 0.00 56.01 53.96 2krt n LEU 18 Cb 0.52 -0.87 0.00 0.00 -0.00 0.00 0.00 43.42 43.07 2krt n LEU 18 CO 0.42 0.83 0.00 1.17 -0.00 0.00 0.00 177.39 179.81 2krt n LYS 19 N 1.99 0.00 -0.02 1.47 4.81 -1.04 -4.69 118.16 120.68 2krt n LYS 19 Ca 0.11 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.41 2krt n LYS 19 Cb 0.46 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.41 2krt n LYS 19 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2krt h ASP 20 N 0.00 0.02 0.07 3.14 3.32 -1.96 -3.37 116.42 117.64 2krt h ASP 20 Ca 0.00 -0.52 -0.15 0.00 0.02 0.00 0.00 57.03 56.38 2krt h ASP 20 Cb 0.00 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 39.56 2krt h ASP 20 CO 0.00 0.53 -0.63 0.74 -1.72 0.00 0.00 179.24 178.16 2krt h THR 21 N -0.50 1.52 -2.15 0.35 2.02 -1.78 -3.32 112.91 109.05 2krt h THR 21 Ca 0.00 -2.33 -0.06 0.00 0.77 0.00 0.00 66.41 64.79 2krt h THR 21 Cb 0.53 3.00 -0.21 0.00 -1.74 0.00 0.00 68.15 69.73 2krt h THR 21 CO 0.00 0.66 0.08 0.72 0.37 0.00 0.00 175.52 177.35 2krt s PHE 22 N -2.71 -0.67 -0.35 3.16 -0.71 -1.17 -1.34 117.98 114.19 2krt s PHE 22 Ca -0.14 1.48 -0.09 0.00 -1.04 0.00 0.00 56.93 57.13 2krt s PHE 22 Cb 0.01 0.29 0.02 0.00 -1.21 0.00 0.00 43.02 42.14 2krt s PHE 22 CO 0.81 -0.43 0.16 -0.51 -1.34 0.00 0.00 175.22 173.91 2krt s ASP 23 N -0.24 5.54 0.36 1.98 1.11 -0.64 -2.50 116.67 122.28 2krt s ASP 23 Ca -0.04 -0.92 -0.06 0.00 0.18 0.00 0.00 52.55 51.71 2krt s ASP 23 Cb -0.03 -1.97 -0.05 0.00 1.07 0.00 0.00 42.92 41.94 2krt s ASP 23 CO 0.04 -0.32 0.66 0.72 1.18 0.00 0.00 175.17 177.45 2krt s PHE 24 N 1.52 3.50 -0.05 4.23 -0.71 -1.26 -0.89 117.98 124.32 2krt s PHE 24 Ca 0.02 0.74 -0.02 0.00 -1.04 0.00 0.00 56.93 56.63 2krt s PHE 24 Cb -0.19 -2.20 0.04 0.00 -1.21 0.00 0.00 43.02 39.45 2krt s PHE 24 CO 0.05 0.00 0.10 0.21 -1.34 0.00 0.00 175.22 174.25 2krt s LYS 25 N -3.96 0.04 0.08 1.99 2.20 0.82 -4.94 119.74 115.97 2krt s LYS 25 Ca 0.46 0.32 -0.22 0.00 -0.36 0.00 0.00 55.97 56.16 2krt s LYS 25 Cb -0.10 -0.22 -0.07 0.00 -1.51 0.00 0.00 37.83 35.93 2krt s LYS 25 CO 0.34 -0.18 0.67 -0.51 -0.36 0.00 0.00 175.35 175.31 2krt s LEU 26 N 1.23 4.51 0.31 5.43 2.01 -1.22 -0.64 118.68 130.31 2krt s LEU 26 Ca -0.08 1.38 0.01 0.00 0.01 0.00 0.00 54.13 55.45 2krt s LEU 26 Cb -0.12 -3.07 0.50 0.00 0.01 0.00 0.00 46.19 43.51 2krt s LEU 26 CO -0.05 0.18 1.89 0.00 1.01 0.00 0.00 176.35 179.38 2krt h ALA 27 N 4.89 1.34 0.00 4.21 0.00 -1.85 -2.09 119.26 125.76 2krt h ALA 27 Ca -0.47 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2krt h ALA 27 Cb 1.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2krt h ALA 27 CO 0.67 0.49 0.00 0.00 0.00 0.00 0.00 179.25 180.41 2krt h ALA 28 N 1.45 1.00 -2.88 0.00 0.00 -1.92 -3.39 119.26 113.52 2krt h ALA 28 Ca 0.18 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.49 2krt h ALA 28 Cb 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.57 2krt h ALA 28 CO -0.01 0.00 -0.77 -0.06 0.00 0.00 0.00 179.25 178.41 2krt s PHE 29 N -3.28 1.60 0.03 0.00 0.08 -0.79 -5.04 117.98 110.58 2krt s PHE 29 Ca 0.07 -2.15 -0.32 0.00 0.12 0.00 0.00 56.93 54.65 2krt s PHE 29 Cb 0.08 -1.60 -0.18 0.00 -0.57 0.00 0.00 43.02 40.76 2krt s PHE 29 CO 0.60 -0.80 1.32 -1.00 -0.10 0.00 0.00 175.22 175.23 2krt h PRO 30 N 6.90 -1.10 -3.61 0.24 0.13 -1.76 -3.24 132.00 129.56 2krt h PRO 30 Ca 0.00 0.08 -0.80 0.00 -0.87 0.00 0.00 66.00 64.41 2krt h PRO 30 Cb 0.94 0.25 -0.28 0.00 0.13 0.00 0.00 31.00 32.05 2krt h PRO 30 CO 0.42 -0.74 0.39 -0.80 -0.23 0.00 0.00 178.00 177.04 2krt s ASN 31 N -4.23 7.22 0.48 1.44 0.02 -1.26 -4.76 114.94 113.85 2krt s ASN 31 Ca -0.17 -3.45 0.06 0.00 -1.02 0.00 0.00 52.86 48.28 2krt s ASN 31 Cb 0.02 -2.21 -0.01 0.00 0.02 0.00 0.00 41.25 39.07 2krt s ASN 31 CO 0.50 -0.33 0.25 0.00 0.02 0.00 0.00 177.10 177.53 2krt s GLN 32 N -1.03 2.25 -0.20 -0.60 1.03 -1.26 -5.13 119.66 114.72 2krt s GLN 32 Ca 0.29 -1.99 -0.03 0.00 0.04 0.00 0.00 55.36 53.66 2krt s GLN 32 Cb -0.10 -1.97 0.06 0.00 0.03 0.00 0.00 33.01 31.03 2krt s GLN 32 CO -0.08 -0.36 0.05 -0.80 -2.54 0.00 0.00 175.29 171.56 2krt s ASN 33 N -4.06 2.94 0.43 12.60 0.01 -1.26 -5.01 114.94 120.59 2krt s ASN 33 Ca 0.33 -0.87 0.18 0.00 -0.71 0.00 0.00 52.86 51.79 2krt s ASN 33 Cb 0.01 -0.55 1.11 0.00 0.41 0.00 0.00 41.25 42.23 2krt s ASN 33 CO 0.19 -0.33 1.87 0.10 -1.51 0.00 0.00 177.10 177.42 2krt h TYR 34 N 8.26 0.48 0.00 2.20 -0.00 -1.95 0.43 116.97 126.40 2krt h TYR 34 Ca -0.16 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.59 2krt h TYR 34 Cb 1.11 -0.15 0.00 0.00 0.00 0.00 0.00 36.73 37.69 2krt h TYR 34 CO 0.27 0.14 0.00 -3.47 -0.00 0.00 0.00 178.16 175.10 2krt n ASP 35 N -4.49 0.00 -0.33 0.10 2.03 -1.26 -2.71 116.55 109.90 2krt n ASP 35 Ca 0.18 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2krt n ASP 35 Cb 0.69 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2krt n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2krt n GLN 36 N -1.16 0.07 -4.86 -0.67 6.02 0.13 -4.62 117.38 112.30 2krt n GLN 36 Ca 0.10 -0.89 -0.33 0.00 -0.01 0.00 0.00 57.00 55.87 2krt n GLN 36 Cb 0.09 -0.53 -0.13 0.00 1.02 0.00 0.00 30.24 30.69 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 -0.09 2.75 0.00 1.08 1.98 -0.10 -4.90 118.68 119.40 2krt s LEU 37 Ca 0.01 -0.21 -0.30 0.00 -2.89 0.00 0.00 54.13 50.74 2krt s LEU 37 Cb 0.01 -1.57 -0.04 0.00 0.66 0.00 0.00 46.19 45.25 2krt s LEU 37 CO 0.00 0.32 1.20 -0.76 -1.89 0.00 0.00 176.35 175.22 2krt s LEU 38 N -0.58 4.32 0.25 -0.68 1.43 -1.26 -4.66 118.68 117.50 2krt s LEU 38 Ca 0.08 1.91 -0.03 0.00 -1.03 0.00 0.00 54.13 55.06 2krt s LEU 38 Cb -0.11 -3.57 0.49 0.00 0.03 0.00 0.00 46.19 43.03 2krt s LEU 38 CO 0.01 -0.52 1.72 -0.65 0.23 0.00 0.00 176.35 177.14 2krt h PRO 39 N 7.16 0.39 -0.39 1.29 0.11 -1.96 -1.78 132.00 136.82 2krt h PRO 39 Ca -0.38 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 2krt h PRO 39 Cb 1.19 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2krt h PRO 39 CO 0.84 0.26 0.22 1.03 -0.21 0.00 0.00 178.00 180.15 2krt h SER 40 N 0.41 0.48 -0.92 -2.05 0.87 -1.99 -0.94 113.55 109.40 2krt h SER 40 Ca 0.43 -0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.99 2krt h SER 40 Cb 0.70 -0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 62.47 2krt h SER 40 CO -0.44 0.41 0.58 1.56 -0.53 0.00 0.00 176.83 178.40 2krt h GLN 41 N 0.50 1.00 -0.28 2.24 1.08 -1.76 -1.75 115.11 116.15 2krt h GLN 41 Ca 0.14 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2krt h GLN 41 Cb 0.03 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 2krt h GLN 41 CO -0.02 0.66 0.16 0.82 -0.95 0.00 0.00 178.83 179.50 2krt h ILE 42 N 1.03 1.11 -0.92 2.54 2.04 -0.78 -2.96 117.51 119.57 2krt h ILE 42 Ca 0.41 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 66.04 2krt h ILE 42 Cb 0.21 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 2krt h ILE 42 CO -0.19 0.11 0.58 0.22 0.00 0.00 0.00 178.15 178.88 2krt h TYR 43 N 0.34 1.08 0.00 1.37 3.20 -0.53 -1.76 116.97 120.67 2krt h TYR 43 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2krt h TYR 43 Cb 0.04 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.96 2krt h TYR 43 CO -0.04 0.56 0.00 1.63 -1.64 0.00 0.00 178.16 178.67 2krt n LYS 44 N -4.56 0.07 0.15 1.82 5.02 -0.72 -1.95 118.16 117.98 2krt n LYS 44 Ca 0.13 0.27 0.13 0.00 -2.02 0.00 0.00 58.31 56.83 2krt n LYS 44 Cb 0.17 -1.50 0.43 0.00 -0.02 0.00 0.00 35.03 34.11 2krt n LYS 44 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2krt h ASN 45 N 0.00 0.00 -0.44 4.39 2.35 -1.36 -3.27 115.58 117.25 2krt h ASN 45 Ca 0.00 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.88 2krt h ASN 45 Cb 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2krt h ASN 45 CO 0.00 0.00 0.38 1.88 -1.65 0.00 0.00 177.43 178.04 2krt h TYR 46 N 0.00 0.00 -0.78 1.19 0.05 -1.59 0.38 116.97 116.22 2krt h TYR 46 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 2krt h TYR 46 Cb 0.63 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.34 2krt h TYR 46 CO 0.00 0.00 0.29 1.88 -1.05 0.00 0.00 178.16 179.28 2krt h TYR 47 N 0.00 1.21 0.00 4.88 0.05 -1.83 -3.36 116.97 117.93 2krt h TYR 47 Ca 0.21 -0.10 -0.13 0.00 0.05 0.00 0.00 58.73 58.76 2krt h TYR 47 Cb 0.97 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 2krt h TYR 47 CO 0.00 0.93 -1.16 1.04 -1.05 0.00 0.00 178.16 177.92 2krt n GLN 48 N -4.27 0.52 0.00 4.88 6.02 -0.00 -5.12 117.38 119.41 2krt n GLN 48 Ca 0.07 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 2krt n GLN 48 Cb 0.20 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.86 2krt n GLN 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2krt n GLY 49 N 1.47 3.72 3.06 1.08 0.00 0.11 -5.03 105.19 109.61 2krt n GLY 49 Ca -0.23 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 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 1.52 -0.13 -0.61 1.01 -1.26 -2.79 121.20 116.94 2krt s ILE 50 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.86 2krt s ILE 50 Cb 0.00 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 2krt s ILE 50 CO 0.00 0.45 0.29 -1.61 0.00 0.00 0.00 174.94 174.06 2krt s GLU 51 N 0.94 4.09 -0.33 2.79 2.02 0.19 -4.95 118.70 123.45 2krt s GLU 51 Ca -0.07 0.11 -0.03 0.00 0.02 0.00 0.00 54.97 54.99 2krt s GLU 51 Cb -0.15 -3.36 0.05 0.00 0.10 0.00 0.00 34.13 30.77 2krt s GLU 51 CO -0.01 0.39 0.06 0.42 0.02 0.00 0.00 175.26 176.14 2krt s ILE 52 N 0.01 3.27 -0.30 -1.63 -1.09 -1.26 -0.12 121.20 120.07 2krt s ILE 52 Ca 0.17 -1.39 -0.24 0.00 -2.23 0.00 0.00 60.65 56.96 2krt s ILE 52 Cb -0.13 -2.92 -0.00 0.00 -1.58 0.00 0.00 42.46 37.83 2krt s ILE 52 CO 0.05 -0.20 0.79 -1.10 -1.23 0.00 0.00 174.94 173.25 2krt s GLN 53 N 1.28 3.99 0.29 2.79 1.11 -0.07 -4.98 119.66 124.08 2krt s GLN 53 Ca -0.02 0.63 -0.29 0.00 0.01 0.00 0.00 55.36 55.68 2krt s GLN 53 Cb -0.20 -3.72 -0.10 0.00 -1.01 0.00 0.00 33.01 27.98 2krt s GLN 53 CO -0.00 -0.66 1.33 1.14 0.01 0.00 0.00 175.29 177.11 2krt s GLN 54 N 2.94 4.35 0.01 2.91 1.03 -1.26 -1.63 119.66 128.02 2krt s GLN 54 Ca 0.33 2.19 0.00 0.00 0.04 0.00 0.00 55.36 57.92 2krt s GLN 54 Cb -0.14 -3.10 0.00 0.00 0.03 0.00 0.00 33.01 29.79 2krt s GLN 54 CO 0.12 -0.24 0.00 1.58 -2.54 0.00 0.00 175.29 174.21 2krt n HIS 55 N 1.45 -0.08 -4.82 9.60 -0.00 -1.11 -4.86 115.22 115.39 2krt n HIS 55 Ca 0.02 0.01 -0.26 0.00 0.46 0.00 0.00 57.72 57.96 2krt n HIS 55 Cb 0.42 0.30 -0.16 0.00 -0.12 0.00 0.00 29.99 30.43 2krt n HIS 55 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2krt s LYS 56 N -2.00 1.69 -0.73 1.57 1.02 -0.45 -4.91 119.74 115.93 2krt s LYS 56 Ca 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.39 2krt s LYS 56 Cb 0.00 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.81 2krt s LYS 56 CO 0.00 0.27 0.00 0.66 -0.92 0.00 0.00 175.35 175.36 2krt n TYR 57 N 3.05 -1.58 1.18 3.18 4.02 -1.26 -4.76 117.16 120.99 2krt n TYR 57 Ca -0.17 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.77 2krt n TYR 57 Cb 0.53 -2.22 0.33 0.00 -0.02 0.00 0.00 39.34 37.96 2krt n TYR 57 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2krt n GLN 58 N -2.70 0.59 0.13 -0.72 1.13 -1.26 -1.48 117.38 113.08 2krt n GLN 58 Ca -0.10 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 54.97 2krt n GLN 58 Cb 0.57 -1.29 0.06 0.00 0.11 0.00 0.00 30.24 29.69 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 0.00 0.00 0.00 1.08 -0.00 -2.01 -3.38 115.58 111.27 2krt h ASN 59 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.25 2krt h ASN 59 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 2krt h ASN 59 CO 0.00 0.57 -0.59 -0.33 -0.00 0.00 0.00 177.43 177.08 2krt h GLU 60 N 0.00 0.00 -6.55 6.67 4.39 -1.64 -3.42 114.58 114.02 2krt h GLU 60 Ca -0.01 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 2krt h GLU 60 Cb 1.36 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.81 2krt h GLU 60 CO 0.07 0.27 -0.83 -0.48 -1.16 0.00 0.00 179.01 176.89 2krt s LEU 61 N -8.19 2.38 -0.31 1.33 2.34 -1.21 -1.86 118.68 113.17 2krt s LEU 61 Ca -0.16 -0.81 -0.08 0.00 0.06 0.00 0.00 54.13 53.14 2krt s LEU 61 Cb 0.02 -1.10 0.00 0.00 -0.56 0.00 0.00 46.19 44.56 2krt s LEU 61 CO 0.30 0.11 0.12 -0.62 -1.06 0.00 0.00 176.35 175.19 2krt s ASP 62 N -2.40 5.34 -0.33 1.48 2.15 0.19 -4.40 116.67 118.71 2krt s ASP 62 Ca 0.16 -0.65 -0.20 0.00 0.43 0.00 0.00 52.55 52.29 2krt s ASP 62 Cb -0.08 -1.94 -0.00 0.00 -0.30 0.00 0.00 42.92 40.59 2krt s ASP 62 CO 0.08 -0.21 0.61 -0.63 -0.17 0.00 0.00 175.17 174.85 2krt s ILE 63 N 1.55 4.93 -0.02 4.11 1.01 -1.26 -2.49 121.20 129.03 2krt s ILE 63 Ca 0.03 0.68 -0.01 0.00 0.00 0.00 0.00 60.65 61.35 2krt s ILE 63 Cb -0.17 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.29 2krt s ILE 63 CO 0.04 -0.21 0.05 -0.54 0.00 0.00 0.00 174.94 174.28 2krt s LYS 64 N 2.61 0.03 0.31 2.79 1.02 -1.23 -4.97 119.74 120.30 2krt s LYS 64 Ca 0.24 0.14 -0.23 0.00 0.02 0.00 0.00 55.97 56.14 2krt s LYS 64 Cb -0.15 -0.08 -0.09 0.00 -0.52 0.00 0.00 37.83 36.99 2krt s LYS 64 CO 0.13 -0.07 0.87 0.42 -0.92 0.00 0.00 175.35 175.77 2krt s ILE 65 N 0.47 4.37 -0.08 2.17 1.01 -1.26 -1.17 121.20 126.71 2krt s ILE 65 Ca -0.04 1.57 -0.10 0.00 0.00 0.00 0.00 60.65 62.09 2krt s ILE 65 Cb -0.05 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 2krt s ILE 65 CO -0.02 0.09 -0.19 -0.38 0.00 0.00 0.00 174.94 174.44 2krt n ILE 66 N 0.41 1.08 -3.52 2.92 5.41 0.12 -4.87 119.36 120.91 2krt n ILE 66 Ca 0.01 0.25 -0.14 0.00 1.00 0.00 0.00 62.75 63.87 2krt n ILE 66 Cb 0.51 -1.95 -0.05 0.00 -0.71 0.00 0.00 39.64 37.44 2krt n ILE 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2krt s ASN 67 N -5.54 -0.53 -0.22 4.38 3.84 -1.24 -5.04 114.94 110.60 2krt s ASN 67 Ca -0.16 0.25 -0.12 0.00 0.21 0.00 0.00 52.86 53.05 2krt s ASN 67 Cb 0.02 0.53 -0.05 0.00 -0.55 0.00 0.00 41.25 41.21 2krt s ASN 67 CO 0.24 -0.76 0.22 -0.36 -2.79 0.00 0.00 177.10 173.64 2krt s PHE 68 N -2.52 3.36 -0.06 0.43 0.08 -1.26 -2.30 117.98 115.71 2krt s PHE 68 Ca -0.05 0.36 0.04 0.00 0.12 0.00 0.00 56.93 57.40 2krt s PHE 68 Cb -0.01 -2.31 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 2krt s PHE 68 CO -0.02 0.11 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.52 2krt s LEU 69 N 0.93 2.54 0.92 -0.37 1.02 -0.41 -4.99 118.68 118.33 2krt s LEU 69 Ca 0.11 -0.30 -0.11 0.00 0.02 0.00 0.00 54.13 53.84 2krt s LEU 69 Cb -0.13 -1.51 0.14 0.00 0.02 0.00 0.00 46.19 44.71 2krt s LEU 69 CO 0.04 0.29 1.09 -0.31 0.02 0.00 0.00 176.35 177.49 2krt s TYR 70 N -0.42 2.05 0.17 0.29 2.02 -1.26 -0.27 117.35 119.93 2krt s TYR 70 Ca 0.05 1.43 -0.18 0.00 -0.37 0.00 0.00 57.07 57.99 2krt s TYR 70 Cb -0.12 -3.17 0.11 0.00 -0.40 0.00 0.00 41.96 38.37 2krt s TYR 70 CO 0.02 -2.61 1.64 -1.35 -1.57 0.00 0.00 175.55 171.68 2krt h PRO 71 N -1.71 -0.09 0.00 -1.71 0.11 -1.86 -3.21 132.00 123.52 2krt h PRO 71 Ca -0.49 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2krt h PRO 71 Cb 1.28 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 2krt h PRO 71 CO 0.50 -0.06 -0.23 -0.25 -0.21 0.00 0.00 178.00 177.75 2krt n ASP 72 N -5.37 1.66 -0.80 -2.05 9.92 -1.26 -4.94 116.55 113.72 2krt n ASP 72 Ca 0.02 -2.89 -0.10 0.00 -0.53 0.00 0.00 54.79 51.29 2krt n ASP 72 Cb 0.28 -0.38 -0.04 0.00 -0.64 0.00 0.00 41.12 40.33 2krt n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2krt n GLY 73 N -0.97 1.06 3.60 0.44 0.00 -1.21 -4.98 105.19 103.11 2krt n GLY 73 Ca 0.12 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.48 4.70 0.17 1.61 2.15 -1.26 -4.96 116.67 116.60 2krt s ASP 74 Ca 0.00 -0.03 -0.11 0.00 0.43 0.00 0.00 52.55 52.84 2krt s ASP 74 Cb 0.00 -1.18 0.07 0.00 -0.30 0.00 0.00 42.92 41.51 2krt s ASP 74 CO 0.00 0.35 1.68 2.19 -0.17 0.00 0.00 175.17 179.21 2krt h PHE 75 N 5.07 1.01 0.01 -5.34 -0.00 -2.01 -2.92 116.94 112.76 2krt h PHE 75 Ca -0.49 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.97 57.36 2krt h PHE 75 Cb 1.17 -0.28 0.00 0.00 -0.00 0.00 0.00 35.95 36.84 2krt h PHE 75 CO 0.58 0.86 -0.01 0.78 -0.00 0.00 0.00 178.31 180.51 2krt h GLY 76 N 0.87 -0.02 1.00 6.09 0.00 -2.00 -2.98 103.07 106.02 2krt h GLY 76 Ca 0.19 0.01 0.12 0.00 0.00 0.00 0.00 47.33 47.64 2krt h GLY 76 CO 0.00 -0.01 0.39 0.23 0.00 0.00 0.00 176.54 177.15 2krt h SER 77 N -0.54 0.00 0.04 0.19 0.87 -2.00 -1.73 113.55 110.38 2krt h SER 77 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2krt h SER 77 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2krt h SER 77 CO 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 176.83 176.28 2krt h ALA 78 N 1.61 -0.05 -0.06 6.23 0.00 -1.44 -3.23 119.26 122.32 2krt h ALA 78 Ca 0.19 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2krt h ALA 78 Cb 0.97 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2krt h ALA 78 CO -0.00 -0.12 -0.73 -0.91 0.00 0.00 0.00 179.25 177.48 2krt h ASN 79 N -0.87 0.42 -0.32 0.00 2.35 -1.30 0.21 115.58 116.07 2krt h ASN 79 Ca -0.01 -0.28 -0.14 0.00 -0.55 0.00 0.00 56.30 55.32 2krt h ASN 79 Cb 0.69 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 2krt h ASN 79 CO 0.01 1.02 -0.31 0.07 -1.65 0.00 0.00 177.43 176.56 2krt h LYS 80 N 0.24 0.85 0.04 0.81 2.10 -1.45 -0.59 116.57 118.57 2krt h LYS 80 Ca -0.03 -0.40 -0.35 0.00 -2.00 0.00 0.00 60.65 57.87 2krt h LYS 80 Cb 1.31 -0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 32.58 2krt h LYS 80 CO 0.12 1.04 -2.05 0.09 -2.00 0.00 0.00 179.45 176.65 2krt n ASN 81 N -4.08 1.27 -0.45 7.07 3.02 -1.22 -3.62 115.26 117.25 2krt n ASN 81 Ca -0.01 0.18 -0.06 0.00 -0.03 0.00 0.00 54.58 54.67 2krt n ASN 81 Cb 0.50 -0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 39.48 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 1.84 0.76 3.74 7.41 0.00 0.73 -4.76 105.19 114.91 2krt n GLY 82 Ca -0.29 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.22 4.57 -0.01 2.61 -4.23 -1.25 -2.31 115.64 112.80 2krt s THR 83 Ca 0.00 -0.29 0.03 0.00 -1.18 0.00 0.00 61.69 60.25 2krt s THR 83 Cb 0.00 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.83 2krt s THR 83 CO 0.00 0.49 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.25 2krt s LEU 84 N -1.27 2.00 -0.45 4.79 2.96 -0.11 -4.17 118.68 122.43 2krt s LEU 84 Ca 0.17 -0.20 -0.22 0.00 -0.22 0.00 0.00 54.13 53.67 2krt s LEU 84 Cb -0.12 -0.56 0.03 0.00 0.50 0.00 0.00 46.19 46.04 2krt s LEU 84 CO 0.07 0.13 0.71 -0.54 -1.32 0.00 0.00 176.35 175.40 2krt s LYS 85 N -0.21 3.31 -0.32 1.98 1.02 0.63 -1.49 119.74 124.67 2krt s LYS 85 Ca 0.03 -0.31 -0.27 0.00 0.02 0.00 0.00 55.97 55.44 2krt s LYS 85 Cb -0.05 -3.96 0.01 0.00 -0.52 0.00 0.00 37.83 33.31 2krt s LYS 85 CO -0.00 -1.09 0.97 -0.51 -0.92 0.00 0.00 175.35 173.79 2krt s LEU 86 N 3.03 3.99 -0.46 3.17 2.01 0.46 -1.28 118.68 129.60 2krt s LEU 86 Ca 0.25 0.88 -0.22 0.00 0.01 0.00 0.00 54.13 55.05 2krt s LEU 86 Cb -0.14 -3.36 0.03 0.00 0.01 0.00 0.00 46.19 42.73 2krt s LEU 86 CO 0.20 -0.79 0.72 -0.55 1.01 0.00 0.00 176.35 176.93 2krt s SER 87 N 1.66 6.33 -0.01 2.29 0.15 -0.97 -0.59 113.70 122.57 2krt s SER 87 Ca 0.40 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.72 2krt s SER 87 Cb -0.13 -2.35 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 2krt s SER 87 CO 0.15 -0.89 -0.07 -0.76 1.20 0.00 0.00 173.24 172.87 2krt s LEU 88 N 3.06 3.13 -0.43 3.45 1.02 -0.66 0.11 118.68 128.36 2krt s LEU 88 Ca 0.24 -0.14 -0.10 0.00 0.02 0.00 0.00 54.13 54.15 2krt s LEU 88 Cb -0.14 -1.78 0.08 0.00 0.02 0.00 0.00 46.19 44.37 2krt s LEU 88 CO 0.19 0.29 0.28 0.00 0.02 0.00 0.00 176.35 177.14 2krt s MET 89 N -1.31 2.67 -0.46 1.70 0.23 -0.31 -2.29 119.30 119.52 2krt s MET 89 Ca 0.16 -1.45 -0.18 0.00 -1.03 0.00 0.00 55.69 53.19 2krt s MET 89 Cb -0.11 -3.84 0.04 0.00 -1.53 0.00 0.00 34.83 29.39 2krt s MET 89 CO 0.06 -0.97 0.52 -0.51 -2.03 0.00 0.00 175.02 172.09 2krt s LEU 90 N 1.46 4.97 -0.36 0.18 2.01 0.84 -3.57 118.68 124.21 2krt s LEU 90 Ca 0.03 -0.81 -0.18 0.00 0.01 0.00 0.00 54.13 53.18 2krt s LEU 90 Cb -0.23 -2.41 -0.00 0.00 0.01 0.00 0.00 46.19 43.55 2krt s LEU 90 CO 0.03 -0.72 0.49 -0.89 1.01 0.00 0.00 176.35 176.27 2krt s THR 91 N 2.31 5.04 0.14 5.49 2.01 -1.04 -0.48 115.64 129.10 2krt s THR 91 Ca 0.13 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 2krt s THR 91 Cb -0.18 -3.96 -0.07 0.00 0.01 0.00 0.00 72.50 68.29 2krt s THR 91 CO 0.13 -0.24 1.12 -0.62 -0.69 0.00 0.00 174.62 174.32 2krt s ASP 92 N 1.78 7.21 0.14 3.53 -1.08 -1.01 -0.63 116.67 126.60 2krt s ASP 92 Ca 0.17 2.06 -0.11 0.00 -0.52 0.00 0.00 52.55 54.15 2krt s ASP 92 Cb -0.16 -2.60 -0.06 0.00 -1.46 0.00 0.00 42.92 38.65 2krt s ASP 92 CO 0.13 -0.30 1.44 0.11 0.52 0.00 0.00 175.17 177.07 2krt h LYS 93 N 5.62 0.87 0.00 4.34 6.56 -1.63 0.19 116.57 132.53 2krt h LYS 93 Ca -0.43 -0.53 0.00 0.00 -1.06 0.00 0.00 60.65 58.63 2krt h LYS 93 Cb 1.21 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 2krt h LYS 93 CO 0.75 1.17 -0.89 0.36 -2.06 0.00 0.00 179.45 178.77 2krt n LYS 94 N -4.02 0.23 -0.03 3.15 2.85 -1.26 -4.08 118.16 115.00 2krt n LYS 94 Ca -0.04 0.01 -0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2krt n LYS 94 Cb 0.60 -1.59 -0.09 0.00 -0.65 0.00 0.00 35.03 33.31 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 -1.89 2.39 -1.66 -5.58 3.02 -1.24 -5.00 115.26 105.29 2krt n ASN 95 Ca 0.03 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.37 2krt n ASN 95 Cb 0.42 1.09 -0.08 0.00 -0.61 0.00 0.00 39.78 40.60 2krt n ASN 95 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2krt n ASN 96 N -2.18 -5.50 -4.75 6.41 5.03 0.67 -4.97 115.26 109.98 2krt n ASN 96 Ca -0.11 0.44 -0.40 0.00 0.87 0.00 0.00 54.58 55.39 2krt n ASN 96 Cb 0.61 -4.76 -0.05 0.00 -1.02 0.00 0.00 39.78 34.56 2krt n ASN 96 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2krt s GLN 97 N -3.89 4.43 -0.43 3.52 -1.52 -1.25 -4.85 119.66 115.67 2krt s GLN 97 Ca 0.00 0.94 -0.24 0.00 -1.95 0.00 0.00 55.36 54.12 2krt s GLN 97 Cb 0.00 -3.37 0.02 0.00 -0.22 0.00 0.00 33.01 29.45 2krt s GLN 97 CO 0.00 0.29 0.82 0.54 -0.25 0.00 0.00 175.29 176.69 2krt s VAL 98 N -0.01 4.62 -0.10 1.09 0.11 -1.26 -2.40 120.40 122.45 2krt s VAL 98 Ca 0.36 0.61 -0.05 0.00 -2.93 0.00 0.00 61.98 59.97 2krt s VAL 98 Cb -0.19 -4.32 -0.04 0.00 -1.53 0.00 0.00 36.38 30.29 2krt s VAL 98 CO 0.21 -0.68 0.10 -0.47 -3.33 0.00 0.00 175.10 170.92 2krt s TYR 99 N 3.36 3.45 -0.14 1.54 5.04 0.36 -4.95 117.35 126.02 2krt s TYR 99 Ca 0.32 0.41 -0.02 0.00 -2.44 0.00 0.00 57.07 55.33 2krt s TYR 99 Cb -0.12 -1.88 -0.03 0.00 0.35 0.00 0.00 41.96 40.29 2krt s TYR 99 CO 0.22 0.65 -0.06 0.71 -1.34 0.00 0.00 175.55 175.73 2krt s TYR 100 N -1.01 2.97 -0.07 4.97 2.02 -1.26 -0.11 117.35 124.86 2krt s TYR 100 Ca 0.16 -0.32 -0.03 0.00 -0.37 0.00 0.00 57.07 56.51 2krt s TYR 100 Cb -0.12 -1.90 0.04 0.00 -0.40 0.00 0.00 41.96 39.58 2krt s TYR 100 CO 0.05 -0.02 0.13 0.21 -1.57 0.00 0.00 175.55 174.35 2krt s LYS 101 N 0.20 0.00 -0.05 -0.62 2.47 -0.97 -5.00 119.74 115.76 2krt s LYS 101 Ca -0.03 0.49 -0.20 0.00 -1.56 0.00 0.00 55.97 54.67 2krt s LYS 101 Cb -0.14 -0.33 -0.05 0.00 -1.46 0.00 0.00 37.83 35.85 2krt s LYS 101 CO 0.03 -0.30 0.55 -0.51 0.16 0.00 0.00 175.35 175.29 2krt s LEU 102 N 2.15 4.36 -0.27 5.43 1.43 -1.26 -1.65 118.68 128.86 2krt s LEU 102 Ca 0.02 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.18 2krt s LEU 102 Cb -0.12 -2.84 0.07 0.00 0.03 0.00 0.00 46.19 43.33 2krt s LEU 102 CO -0.05 0.05 -0.09 -0.76 0.23 0.00 0.00 176.35 175.74 2krt s LEU 103 N 0.17 3.63 -0.69 1.79 1.43 0.24 -4.92 118.68 120.33 2krt s LEU 103 Ca 0.30 -1.50 -0.26 0.00 -1.03 0.00 0.00 54.13 51.63 2krt s LEU 103 Cb -0.17 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.53 2krt s LEU 103 CO 0.15 -0.22 1.18 -1.61 0.23 0.00 0.00 176.35 176.08 2krt s GLU 104 N 1.07 3.21 0.26 1.70 2.02 -1.26 -0.40 118.70 125.30 2krt s GLU 104 Ca -0.06 -0.33 0.09 0.00 0.02 0.00 0.00 54.97 54.69 2krt s GLU 104 Cb -0.20 -4.17 -0.04 0.00 0.10 0.00 0.00 34.13 29.82 2krt s GLU 104 CO -0.05 -1.99 0.06 0.14 0.02 0.00 0.00 175.26 173.44 2krt s VAL 105 N 5.17 3.78 0.37 2.63 -7.23 -0.55 -4.91 120.40 119.66 2krt s VAL 105 Ca 0.33 -1.73 0.09 0.00 -1.81 0.00 0.00 61.98 58.85 2krt s VAL 105 Cb -0.10 -3.03 -0.07 0.00 0.56 0.00 0.00 36.38 33.75 2krt s VAL 105 CO 0.15 -0.36 -0.02 -0.94 -0.31 0.00 0.00 175.10 173.63 2krt s SER 106 N -3.70 3.94 0.00 4.85 1.04 -1.26 -0.94 113.70 117.62 2krt s SER 106 Ca 0.32 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2krt s SER 106 Cb -0.07 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.63 2krt s SER 106 CO 0.21 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.74 2krt n GLY 107 N -0.92 2.60 0.26 7.32 0.00 -1.00 -4.82 105.19 108.63 2krt n GLY 107 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2krt n GLY 107 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2krt h PHE 108 N 0.00 0.00 -2.71 1.61 -1.00 -1.56 -3.35 116.94 109.93 2krt h PHE 108 Ca 0.00 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.88 2krt h PHE 108 Cb 0.00 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.51 2krt h PHE 108 CO 0.00 0.13 0.38 0.21 -1.61 0.00 0.00 178.31 177.42 2krt s LYS 109 N -4.15 1.61 -0.36 1.51 2.47 -1.23 -4.48 119.74 115.10 2krt s LYS 109 Ca -0.03 -0.94 -0.03 0.00 -1.56 0.00 0.00 55.97 53.41 2krt s LYS 109 Cb 0.13 0.51 0.19 0.00 -1.46 0.00 0.00 37.83 37.20 2krt s LYS 109 CO 0.59 -0.74 0.93 -1.54 0.16 0.00 0.00 175.35 174.75 2krt s SER 110 N -3.03 -0.72 -0.44 1.43 1.04 -1.22 -3.74 113.70 107.04 2krt s SER 110 Ca 0.14 -0.48 0.06 0.00 0.48 0.00 0.00 55.95 56.15 2krt s SER 110 Cb -0.04 0.92 0.21 0.00 0.10 0.00 0.00 66.02 67.22 2krt s SER 110 CO 0.06 -0.07 0.47 0.59 0.98 0.00 0.00 173.24 175.27 2krt n ASN 111 N 3.63 0.37 0.03 7.02 4.13 -0.23 -4.99 115.26 125.23 2krt n ASN 111 Ca 0.09 -2.66 -0.01 0.00 1.68 0.00 0.00 54.58 53.68 2krt n ASN 111 Cb 0.61 -0.61 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 2krt n ASN 111 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2krt h PRO 112 N 4.74 -0.08 -0.01 3.52 0.13 -1.82 -1.26 132.00 137.23 2krt h PRO 112 Ca 0.16 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2krt h PRO 112 Cb 0.87 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2krt h PRO 112 CO 0.47 -0.05 -0.00 2.48 -0.23 0.00 0.00 178.00 180.66 2krt n TYR 113 N -2.25 0.00 -0.02 1.56 4.11 -1.26 -3.67 117.16 115.62 2krt n TYR 113 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 57.96 2krt n TYR 113 Cb 0.03 -0.01 -0.16 0.00 -0.00 0.00 0.00 39.34 39.21 2krt n TYR 113 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 2krt n LEU 114 N -0.52 0.08 0.02 -3.48 4.77 -1.24 -4.23 117.00 112.40 2krt n LEU 114 Ca 0.21 0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 56.22 2krt n LEU 114 Cb 0.22 0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2krt n LEU 114 CO 0.18 0.09 0.18 -0.08 -1.33 0.00 0.00 177.39 176.43 2krt h GLU 115 N 0.00 -0.05 -2.28 3.23 4.22 -1.30 -3.31 114.58 115.10 2krt h GLU 115 Ca -0.11 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 59.12 2krt h GLU 115 Cb 1.27 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 2krt h GLU 115 CO 0.01 -0.03 0.20 0.72 -2.18 0.00 0.00 179.01 177.72 2krt n HIS 116 N -2.33 0.25 1.14 0.92 8.25 -1.26 -4.38 115.22 117.81 2krt n HIS 116 Ca -0.01 -1.44 0.12 0.00 -0.26 0.00 0.00 57.72 56.14 2krt n HIS 116 Cb 0.02 -1.51 0.20 0.00 1.12 0.00 0.00 29.99 29.82 2krt n HIS 116 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2krt n HIS 117 N 2.73 0.00 -4.65 4.41 -0.00 -1.25 -4.86 115.22 111.60 2krt n HIS 117 Ca 0.40 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.79 2krt n HIS 117 Cb 0.70 -0.02 -0.15 0.00 -0.00 0.00 0.00 29.99 30.53 2krt n HIS 117 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2krt s HIS 118 N -2.21 2.81 -0.22 1.57 3.76 -1.26 -4.98 115.29 114.76 2krt s HIS 118 Ca 0.27 -0.78 0.11 0.00 -0.15 0.00 0.00 55.06 54.51 2krt s HIS 118 Cb 0.20 -1.87 -0.22 0.00 1.11 0.00 0.00 32.58 31.80 2krt s HIS 118 CO 0.42 -0.31 -0.03 1.58 -0.85 0.00 0.00 174.74 175.55 2krt n HIS 119 N 3.76 0.07 0.00 1.40 -0.00 -1.26 -4.95 115.22 114.24 2krt n HIS 119 Ca -0.18 0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.02 2krt n HIS 119 Cb 0.52 -1.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.38 2krt n HIS 119 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2krt n HIS 120 N -2.99 0.00 -1.32 1.57 8.25 -1.26 -5.31 115.22 114.16 2krt n HIS 120 Ca -0.38 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 2krt n HIS 120 Cb 1.08 0.28 0.00 0.00 1.12 0.00 0.00 29.99 32.47 2krt n HIS 120 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70