#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 1.32 -0.71 4.03 1.98 -1.26 -5.09 118.68 118.95 2krt s LEU 2 Ca 0.00 -0.22 -0.26 0.00 -2.89 0.00 0.00 54.13 50.77 2krt s LEU 2 Cb 0.00 -0.65 -0.03 0.00 0.66 0.00 0.00 46.19 46.17 2krt s LEU 2 CO 0.00 -0.06 1.90 -0.44 -1.89 0.00 0.00 176.35 175.86 2krt s SER 3 N 1.12 5.21 -0.56 3.68 0.01 -1.26 -4.90 113.70 117.00 2krt s SER 3 Ca -0.07 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.22 2krt s SER 3 Cb -0.14 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 63.70 2krt s SER 3 CO -0.01 -2.52 0.36 0.00 0.41 0.00 0.00 173.24 171.48 2krt s GLN 4 N 7.05 1.86 -0.16 12.44 -2.07 -1.26 -4.87 119.66 132.65 2krt s GLN 4 Ca 0.69 -2.69 -0.30 0.00 -1.82 0.00 0.00 55.36 51.23 2krt s GLN 4 Cb -0.11 -2.86 0.12 0.00 -1.09 0.00 0.00 33.01 29.07 2krt s GLN 4 CO 0.13 -1.23 0.97 0.00 -1.32 0.00 0.00 175.29 173.84 2krt s ALA 5 N -0.55 -1.92 0.32 2.60 0.00 -1.26 -4.98 121.76 115.96 2krt s ALA 5 Ca 0.22 1.59 0.02 0.00 0.00 0.00 0.00 51.96 53.79 2krt s ALA 5 Cb -0.13 -0.70 0.60 0.00 0.00 0.00 0.00 23.12 22.88 2krt s ALA 5 CO -0.09 -0.31 1.91 -0.91 0.00 0.00 0.00 175.76 176.36 2krt h ASN 6 N 2.72 0.84 0.47 0.00 -0.26 -2.00 0.97 115.58 118.32 2krt h ASN 6 Ca -0.20 0.01 -0.13 0.00 -0.56 0.00 0.00 56.30 55.42 2krt h ASN 6 Cb 1.16 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 38.24 2krt h ASN 6 CO 0.30 0.53 -0.57 1.05 -1.06 0.00 0.00 177.43 177.67 2krt h GLU 7 N 0.95 0.11 -0.04 0.81 4.11 -1.99 -2.88 114.58 115.64 2krt h GLU 7 Ca 0.39 -0.07 -0.11 0.00 0.07 0.00 0.00 59.36 59.63 2krt h GLU 7 Cb 0.27 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2krt h GLU 7 CO -0.15 0.66 -0.49 -0.44 0.07 0.00 0.00 179.01 178.65 2krt h ASP 8 N 0.09 0.11 -0.22 3.06 5.19 -1.30 0.12 116.42 123.47 2krt h ASP 8 Ca -0.00 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 2krt h ASP 8 Cb 1.04 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 2krt h ASP 8 CO 0.08 0.59 0.05 -0.26 -3.12 0.00 0.00 179.24 176.58 2krt h PHE 9 N 0.08 0.38 -0.22 4.55 0.04 -0.77 -0.78 116.94 120.22 2krt h PHE 9 Ca 0.00 -0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.63 2krt h PHE 9 Cb 0.91 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 2krt h PHE 9 CO 0.01 0.47 -0.28 1.57 -0.60 0.00 0.00 178.31 179.49 2krt h LYS 10 N 0.17 0.43 -0.65 1.51 2.10 -1.46 -2.80 116.57 115.88 2krt h LYS 10 Ca 0.07 -0.17 0.10 0.00 -2.00 0.00 0.00 60.65 58.65 2krt h LYS 10 Cb 0.29 -0.02 -0.07 0.00 -0.90 0.00 0.00 32.23 31.52 2krt h LYS 10 CO 0.00 0.68 0.26 -0.22 -2.00 0.00 0.00 179.45 178.17 2krt h LYS 11 N 0.38 0.44 -0.63 0.07 3.64 -0.47 -0.81 116.57 119.21 2krt h LYS 11 Ca 0.05 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 2krt h LYS 11 Cb 0.68 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.32 2krt h LYS 11 CO 0.05 0.29 0.18 0.82 -2.27 0.00 0.00 179.45 178.52 2krt h ILE 12 N 0.46 0.67 -0.69 2.00 2.04 -0.86 0.94 117.51 122.06 2krt h ILE 12 Ca 0.33 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 66.04 2krt h ILE 12 Cb 0.40 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2krt h ILE 12 CO -0.31 0.06 0.29 0.58 0.00 0.00 0.00 178.15 178.77 2krt h VAL 13 N 0.32 1.24 -0.00 1.67 2.07 -1.29 -1.92 116.25 118.34 2krt h VAL 13 Ca 0.33 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2krt h VAL 13 Cb 0.48 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2krt h VAL 13 CO -0.38 0.30 -0.03 0.59 0.02 0.00 0.00 177.57 178.06 2krt n ASN 14 N -4.40 0.16 -0.11 0.57 3.02 -0.40 -3.11 115.26 110.99 2krt n ASN 14 Ca 0.05 -0.45 0.11 0.00 -0.03 0.00 0.00 54.58 54.26 2krt n ASN 14 Cb 0.16 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2krt n ASN 14 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2krt n ASN 15 N -1.11 1.11 -4.73 6.41 2.85 0.31 -4.97 115.26 115.13 2krt n ASN 15 Ca 0.16 -0.95 -0.42 0.00 -0.11 0.00 0.00 54.58 53.26 2krt n ASN 15 Cb 0.23 0.70 -0.03 0.00 1.24 0.00 0.00 39.78 41.93 2krt n ASN 15 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2krt s ILE 16 N -2.87 2.08 0.01 -1.44 1.01 -0.95 -4.84 121.20 114.20 2krt s ILE 16 Ca 0.12 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 2krt s ILE 16 Cb 0.17 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 2krt s ILE 16 CO 0.76 0.01 0.01 -0.60 0.00 0.00 0.00 174.94 175.11 2krt s ARG 17 N 0.77 0.33 0.00 2.79 6.06 -1.26 -4.98 118.95 122.66 2krt s ARG 17 Ca 0.72 -0.52 0.00 0.00 -2.50 0.00 0.00 55.73 53.42 2krt s ARG 17 Cb -0.49 0.12 0.00 0.00 0.06 0.00 0.00 34.95 34.65 2krt s ARG 17 CO 0.36 -0.06 0.45 1.47 -2.50 0.00 0.00 175.30 175.01 2krt n LEU 18 N 1.66 0.38 0.10 -0.88 -0.00 -1.26 -1.68 117.00 115.32 2krt n LEU 18 Ca -0.23 -0.19 0.00 0.00 -0.00 0.00 0.00 56.01 55.59 2krt n LEU 18 Cb 0.55 -0.19 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2krt n LEU 18 CO 0.21 0.09 -0.03 0.29 -0.00 0.00 0.00 177.39 177.95 2krt n LYS 19 N -0.10 0.00 -0.12 1.47 5.02 -1.17 -4.45 118.16 118.82 2krt n LYS 19 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 2krt n LYS 19 Cb 0.09 -0.15 -0.00 0.00 -0.02 0.00 0.00 35.03 34.95 2krt n LYS 19 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2krt h ASP 20 N 0.00 0.43 0.00 4.39 3.58 -1.96 -3.37 116.42 119.49 2krt h ASP 20 Ca 0.00 -0.01 -0.17 0.00 0.42 0.00 0.00 57.03 57.27 2krt h ASP 20 Cb 0.06 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 2krt h ASP 20 CO 0.00 0.32 -1.09 0.41 -2.88 0.00 0.00 179.24 176.00 2krt n THR 21 N -4.82 1.50 -3.90 2.25 -1.04 -0.67 -4.58 114.28 103.01 2krt n THR 21 Ca 0.00 0.04 -0.11 0.00 -2.04 0.00 0.00 64.05 61.94 2krt n THR 21 Cb 0.02 -2.15 -0.10 0.00 -1.82 0.00 0.00 70.33 66.28 2krt n THR 21 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2krt s PHE 22 N -2.34 0.09 -0.32 -1.42 -0.71 -1.08 -1.09 117.98 111.11 2krt s PHE 22 Ca -0.25 -0.22 -0.05 0.00 -1.04 0.00 0.00 56.93 55.37 2krt s PHE 22 Cb 0.05 -0.08 0.04 0.00 -1.21 0.00 0.00 43.02 41.82 2krt s PHE 22 CO 0.47 -0.25 0.06 0.34 -1.34 0.00 0.00 175.22 174.50 2krt s ASP 23 N -1.34 5.11 0.54 1.98 -1.08 -0.25 -3.03 116.67 118.62 2krt s ASP 23 Ca -0.14 -1.12 0.02 0.00 -0.52 0.00 0.00 52.55 50.79 2krt s ASP 23 Cb -0.08 -1.81 0.04 0.00 -1.46 0.00 0.00 42.92 39.61 2krt s ASP 23 CO 0.01 -0.28 0.76 0.72 0.52 0.00 0.00 175.17 176.90 2krt s PHE 24 N 1.36 2.72 0.04 -5.34 -0.71 -1.26 -1.08 117.98 113.71 2krt s PHE 24 Ca -0.02 -0.11 -0.24 0.00 -1.04 0.00 0.00 56.93 55.52 2krt s PHE 24 Cb -0.19 -2.70 0.06 0.00 -1.21 0.00 0.00 43.02 38.97 2krt s PHE 24 CO 0.01 -0.88 0.55 0.21 -1.34 0.00 0.00 175.22 173.77 2krt s LYS 25 N -4.73 1.05 -0.10 1.99 2.47 -1.09 -4.88 119.74 114.45 2krt s LYS 25 Ca 0.58 -0.17 -0.02 0.00 -1.56 0.00 0.00 55.97 54.80 2krt s LYS 25 Cb -0.10 0.48 -0.03 0.00 -1.46 0.00 0.00 37.83 36.72 2krt s LYS 25 CO 0.38 -0.37 -0.03 -0.51 0.16 0.00 0.00 175.35 174.98 2krt s LEU 26 N -1.88 3.38 0.28 5.43 2.01 -1.24 -1.09 118.68 125.56 2krt s LEU 26 Ca -0.06 0.02 0.04 0.00 0.01 0.00 0.00 54.13 54.14 2krt s LEU 26 Cb -0.01 -1.77 0.40 0.00 0.01 0.00 0.00 46.19 44.82 2krt s LEU 26 CO -0.00 0.32 1.69 0.00 1.01 0.00 0.00 176.35 179.36 2krt h ALA 27 N 5.62 1.06 0.00 4.21 0.00 -1.41 -2.56 119.26 126.18 2krt h ALA 27 Ca -0.45 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.01 2krt h ALA 27 Cb 1.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2krt h ALA 27 CO 0.56 0.59 -0.26 0.00 0.00 0.00 0.00 179.25 180.14 2krt h ALA 28 N 1.30 0.89 -2.59 0.00 0.00 -1.92 -3.38 119.26 113.57 2krt h ALA 28 Ca 0.04 -0.24 -0.60 0.00 0.00 0.00 0.00 54.91 54.11 2krt h ALA 28 Cb 0.78 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 18.14 2krt h ALA 28 CO 0.06 0.33 -0.85 -0.06 0.00 0.00 0.00 179.25 178.73 2krt s PHE 29 N -3.33 1.87 0.06 0.00 0.08 -1.01 -5.02 117.98 110.63 2krt s PHE 29 Ca 0.03 -2.65 -0.35 0.00 0.12 0.00 0.00 56.93 54.08 2krt s PHE 29 Cb 0.08 -1.48 -0.20 0.00 -0.57 0.00 0.00 43.02 40.85 2krt s PHE 29 CO 0.67 -0.74 1.55 -1.35 -0.10 0.00 0.00 175.22 175.25 2krt h PRO 30 N 5.56 -1.15 -4.39 0.24 0.11 -1.66 -3.30 132.00 127.42 2krt h PRO 30 Ca 0.23 0.08 -0.75 0.00 0.11 0.00 0.00 66.00 65.66 2krt h PRO 30 Cb 0.86 0.26 -0.20 0.00 0.11 0.00 0.00 31.00 32.03 2krt h PRO 30 CO 0.48 -0.76 1.23 0.09 -0.21 0.00 0.00 178.00 178.82 2krt n ASN 31 N -5.59 5.30 -3.62 -2.05 3.02 -1.26 -4.76 115.26 106.30 2krt n ASN 31 Ca -0.16 -3.01 -0.19 0.00 -0.03 0.00 0.00 54.58 51.20 2krt n ASN 31 Cb 0.47 -1.52 -0.09 0.00 -0.61 0.00 0.00 39.78 38.04 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 0.82 1.66 0.01 3.52 1.03 -1.26 -5.16 119.66 120.29 2krt s GLN 32 Ca 0.40 -1.96 0.01 0.00 0.04 0.00 0.00 55.36 53.85 2krt s GLN 32 Cb -0.03 0.20 -0.01 0.00 0.03 0.00 0.00 33.01 33.20 2krt s GLN 32 CO -0.01 -0.57 -0.03 -0.80 -2.54 0.00 0.00 175.29 171.33 2krt s ASN 33 N -3.36 0.37 0.00 12.60 0.01 -1.26 -5.02 114.94 118.28 2krt s ASN 33 Ca 0.39 -0.26 0.07 0.00 -0.71 0.00 0.00 52.86 52.35 2krt s ASN 33 Cb 0.03 0.02 0.42 0.00 0.41 0.00 0.00 41.25 42.14 2krt s ASN 33 CO 0.23 -0.10 0.90 0.00 -1.51 0.00 0.00 177.10 176.62 2krt n TYR 34 N 2.36 0.00 0.36 2.20 0.18 -1.26 -0.96 117.16 120.03 2krt n TYR 34 Ca -0.17 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.73 2krt n TYR 34 Cb 0.57 -0.02 0.21 0.00 -0.38 0.00 0.00 39.34 39.72 2krt n TYR 34 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2krt n ASP 35 N -1.02 3.46 0.00 9.48 8.00 -1.26 -3.54 116.55 131.66 2krt n ASP 35 Ca 0.05 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.55 2krt n ASP 35 Cb 0.03 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 2krt n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2krt n GLN 36 N 1.50 0.00 -2.01 -1.24 6.02 -0.14 -4.62 117.38 116.89 2krt n GLN 36 Ca 0.19 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.77 2krt n GLN 36 Cb 0.61 -0.34 -0.02 0.00 1.02 0.00 0.00 30.24 31.51 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 -3.95 4.39 0.03 1.08 1.98 -0.33 -4.84 118.68 117.03 2krt s LEU 37 Ca 0.00 2.68 -0.29 0.00 -2.89 0.00 0.00 54.13 53.63 2krt s LEU 37 Cb 0.00 -3.63 -0.04 0.00 0.66 0.00 0.00 46.19 43.18 2krt s LEU 37 CO 0.00 -0.70 0.93 -0.76 -1.89 0.00 0.00 176.35 173.93 2krt s LEU 38 N -0.49 4.41 0.38 -0.68 2.01 -1.26 -4.81 118.68 118.24 2krt s LEU 38 Ca 0.59 1.64 0.17 0.00 0.01 0.00 0.00 54.13 56.54 2krt s LEU 38 Cb -0.42 -3.50 1.09 0.00 0.01 0.00 0.00 46.19 43.37 2krt s LEU 38 CO 0.44 -0.16 1.73 -0.65 1.01 0.00 0.00 176.35 178.73 2krt h PRO 39 N 6.30 0.38 -0.89 1.29 0.11 -1.95 -0.31 132.00 136.93 2krt h PRO 39 Ca -0.42 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.73 2krt h PRO 39 Cb 1.21 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 2krt h PRO 39 CO 0.74 0.25 0.56 0.77 -0.21 0.00 0.00 178.00 180.11 2krt h SER 40 N 0.40 0.89 0.15 -2.05 0.02 -1.98 -2.11 113.55 108.86 2krt h SER 40 Ca 0.65 0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 61.38 2krt h SER 40 Cb 1.58 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.95 2krt h SER 40 CO -0.38 0.57 -0.91 1.56 -1.14 0.00 0.00 176.83 176.53 2krt h GLN 41 N 1.02 0.56 -0.90 3.45 1.08 -1.46 -3.25 115.11 115.61 2krt h GLN 41 Ca 0.38 -0.55 0.05 0.00 -1.45 0.00 0.00 58.65 57.08 2krt h GLN 41 Cb 0.15 0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 27.66 2krt h GLN 41 CO -0.17 1.17 0.57 0.82 -0.95 0.00 0.00 178.83 180.28 2krt h ILE 42 N 0.34 1.08 -0.95 2.54 2.04 -1.09 -1.96 117.51 119.51 2krt h ILE 42 Ca -0.08 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.46 2krt h ILE 42 Cb 1.54 -0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 2krt h ILE 42 CO 0.17 0.19 0.62 0.22 0.00 0.00 0.00 178.15 179.35 2krt h TYR 43 N 1.06 1.14 0.00 1.37 3.20 -1.43 -2.28 116.97 120.04 2krt h TYR 43 Ca 0.38 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.28 2krt h TYR 43 Cb 0.12 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.01 2krt h TYR 43 CO -0.02 0.63 0.00 0.87 -1.64 0.00 0.00 178.16 178.00 2krt h LYS 44 N 1.15 0.00 -0.01 1.82 1.79 -1.41 -1.57 116.57 118.35 2krt h LYS 44 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 2krt h LYS 44 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2krt h LYS 44 CO -0.14 0.00 -0.10 -1.71 -1.08 0.00 0.00 179.45 176.43 2krt n ASN 45 N -2.84 1.07 -0.34 0.86 5.15 -0.86 -4.44 115.26 113.86 2krt n ASN 45 Ca -0.01 -1.12 0.20 0.00 -0.60 0.00 0.00 54.58 53.05 2krt n ASN 45 Cb 0.14 0.03 0.44 0.00 -0.53 0.00 0.00 39.78 39.86 2krt n ASN 45 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 2krt h TYR 46 N 1.52 0.87 0.03 1.20 -0.00 -1.39 -0.43 116.97 118.78 2krt h TYR 46 Ca 0.00 0.03 -0.30 0.00 -0.00 0.00 0.00 58.73 58.47 2krt h TYR 46 Cb 0.44 -0.25 -0.04 0.00 -0.00 0.00 0.00 36.73 36.88 2krt h TYR 46 CO 0.00 0.05 -1.65 -0.92 -0.00 0.00 0.00 178.16 175.64 2krt h TYR 47 N 0.49 0.13 0.63 0.10 3.20 -1.84 -3.40 116.97 116.28 2krt h TYR 47 Ca 0.63 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 62.38 2krt h TYR 47 Cb 1.38 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.64 2krt h TYR 47 CO -0.00 1.17 -0.38 1.96 -1.64 0.00 0.00 178.16 179.26 2krt h GLN 48 N 0.02 -0.91 0.00 1.82 1.08 -1.34 -3.48 115.11 112.29 2krt h GLN 48 Ca -0.27 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2krt h GLN 48 Cb 1.99 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 29.63 2krt h GLN 48 CO 0.10 -0.61 0.00 0.41 -0.95 0.00 0.00 178.83 177.78 2krt n GLY 49 N -1.49 3.77 3.30 3.46 0.00 -1.11 -4.93 105.19 108.18 2krt n GLY 49 Ca -0.12 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.47 1.95 0.05 -0.61 1.01 -1.26 -1.02 121.20 120.85 2krt s ILE 50 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 60.65 59.38 2krt s ILE 50 Cb 0.00 -1.64 -0.06 0.00 0.01 0.00 0.00 42.46 40.77 2krt s ILE 50 CO 0.00 0.46 0.41 -0.70 0.00 0.00 0.00 174.94 175.11 2krt s GLU 51 N -0.81 3.83 -0.37 2.79 2.12 -0.25 -4.89 118.70 121.12 2krt s GLU 51 Ca 0.10 0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.73 2krt s GLU 51 Cb -0.09 -3.09 0.11 0.00 0.26 0.00 0.00 34.13 31.32 2krt s GLU 51 CO 0.00 0.61 0.13 0.42 -0.54 0.00 0.00 175.26 175.89 2krt s ILE 52 N -1.26 1.69 -0.47 -3.70 -1.09 -1.26 -2.68 121.20 112.42 2krt s ILE 52 Ca 0.29 -2.21 -0.21 0.00 -2.23 0.00 0.00 60.65 56.29 2krt s ILE 52 Cb -0.15 -2.23 0.03 0.00 -1.58 0.00 0.00 42.46 38.53 2krt s ILE 52 CO 0.16 -0.71 0.69 -1.58 -1.23 0.00 0.00 174.94 172.26 2krt s GLN 53 N 0.87 3.26 0.35 2.79 0.74 -0.24 -4.92 119.66 122.51 2krt s GLN 53 Ca 0.13 -0.45 -0.27 0.00 0.05 0.00 0.00 55.36 54.82 2krt s GLN 53 Cb -0.20 -3.99 -0.09 0.00 1.10 0.00 0.00 33.01 29.82 2krt s GLN 53 CO -0.11 -1.12 1.15 1.14 -0.55 0.00 0.00 175.29 175.80 2krt s GLN 54 N 2.95 4.32 0.00 1.67 -2.07 -1.26 -1.08 119.66 124.18 2krt s GLN 54 Ca 0.22 1.83 0.00 0.00 -1.82 0.00 0.00 55.36 55.60 2krt s GLN 54 Cb -0.15 -2.89 0.00 0.00 -1.09 0.00 0.00 33.01 28.88 2krt s GLN 54 CO 0.18 -0.09 0.00 0.72 -1.32 0.00 0.00 175.29 174.78 2krt n HIS 55 N 0.55 0.00 -3.77 9.60 8.25 -0.25 -4.93 115.22 124.66 2krt n HIS 55 Ca 0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.22 2krt n HIS 55 Cb 0.46 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.40 2krt n HIS 55 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2krt s LYS 56 N -0.44 0.75 -1.68 -0.41 2.20 -1.10 -4.94 119.74 114.12 2krt s LYS 56 Ca 0.00 -0.23 -0.10 0.00 -0.36 0.00 0.00 55.97 55.28 2krt s LYS 56 Cb 0.00 -1.67 0.10 0.00 -1.51 0.00 0.00 37.83 34.75 2krt s LYS 56 CO 0.00 -0.48 0.27 0.66 -0.36 0.00 0.00 175.35 175.44 2krt n TYR 57 N 5.06 -1.26 1.30 4.03 4.02 -1.26 -4.81 117.16 124.24 2krt n TYR 57 Ca -0.09 0.65 0.14 0.00 -0.01 0.00 0.00 57.90 58.60 2krt n TYR 57 Cb 0.48 -2.49 0.68 0.00 -0.02 0.00 0.00 39.34 38.00 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 -4.37 0.34 0.19 -0.72 1.13 -1.26 -3.33 117.38 109.36 2krt n GLN 58 Ca -0.14 -0.03 0.05 0.00 -1.94 0.00 0.00 57.00 54.93 2krt n GLN 58 Cb 0.60 -1.50 0.39 0.00 0.11 0.00 0.00 30.24 29.83 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 0.08 0.00 0.00 1.08 -0.73 -1.99 -3.32 115.58 110.70 2krt h ASN 59 Ca 0.00 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 57.98 2krt h ASN 59 Cb 0.36 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.92 2krt h ASN 59 CO 0.00 0.36 -1.25 1.21 -0.37 0.00 0.00 177.43 177.38 2krt n GLU 60 N -3.75 0.54 -5.00 6.67 4.07 -1.21 -4.72 120.64 117.24 2krt n GLU 60 Ca -0.01 0.50 -0.32 0.00 -0.06 0.00 0.00 57.16 57.26 2krt n GLU 60 Cb 0.45 -1.68 -0.15 0.00 -0.06 0.00 0.00 31.44 30.00 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 -7.91 2.47 -0.21 4.31 0.05 -1.23 -0.70 118.68 115.47 2krt s LEU 61 Ca -0.27 -0.36 -0.10 0.00 0.05 0.00 0.00 54.13 53.45 2krt s LEU 61 Cb 0.06 -1.50 -0.05 0.00 -2.05 0.00 0.00 46.19 42.65 2krt s LEU 61 CO 0.47 0.25 0.13 -0.62 -0.55 0.00 0.00 176.35 176.03 2krt s ASP 62 N -0.15 6.10 -0.28 1.48 2.15 -0.54 -4.31 116.67 121.13 2krt s ASP 62 Ca -0.02 0.18 -0.17 0.00 0.43 0.00 0.00 52.55 52.96 2krt s ASP 62 Cb -0.14 -2.08 -0.03 0.00 -0.30 0.00 0.00 42.92 40.38 2krt s ASP 62 CO 0.04 0.15 0.49 -0.63 -0.17 0.00 0.00 175.17 175.04 2krt s ILE 63 N 0.55 5.08 -0.02 4.11 1.01 -1.26 -1.96 121.20 128.71 2krt s ILE 63 Ca 0.07 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.46 2krt s ILE 63 Cb -0.12 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.54 2krt s ILE 63 CO -0.00 0.05 0.00 -0.54 0.00 0.00 0.00 174.94 174.45 2krt s LYS 64 N 2.28 0.16 -0.20 2.79 1.02 -1.21 -4.92 119.74 119.66 2krt s LYS 64 Ca 0.20 0.05 -0.16 0.00 0.02 0.00 0.00 55.97 56.08 2krt s LYS 64 Cb -0.16 -0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 36.82 2krt s LYS 64 CO 0.10 -0.08 0.41 0.42 -0.92 0.00 0.00 175.35 175.28 2krt s ILE 65 N 0.64 5.19 -0.06 2.17 1.01 -1.26 -0.55 121.20 128.34 2krt s ILE 65 Ca -0.06 0.73 -0.05 0.00 0.00 0.00 0.00 60.65 61.28 2krt s ILE 65 Cb -0.09 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 2krt s ILE 65 CO -0.01 0.25 -0.09 -0.38 0.00 0.00 0.00 174.94 174.70 2krt n ILE 66 N 4.35 0.62 -4.17 2.92 5.41 0.08 -4.99 119.36 123.58 2krt n ILE 66 Ca -0.08 0.37 -0.12 0.00 1.00 0.00 0.00 62.75 63.93 2krt n ILE 66 Cb 0.51 -1.88 -0.05 0.00 -0.71 0.00 0.00 39.64 37.51 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 -3.29 -0.33 -4.10 4.38 0.23 -1.25 -4.97 115.26 105.92 2krt n ASN 67 Ca -0.04 -2.27 -0.19 0.00 -0.53 0.00 0.00 54.58 51.55 2krt n ASN 67 Cb 0.14 0.95 -0.14 0.00 -2.08 0.00 0.00 39.78 38.66 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 -2.77 1.04 0.04 -2.53 0.40 -1.26 -2.06 117.98 110.85 2krt s PHE 68 Ca 0.23 -0.30 -0.03 0.00 -0.60 0.00 0.00 56.93 56.23 2krt s PHE 68 Cb 0.01 -0.63 -0.03 0.00 0.51 0.00 0.00 43.02 42.88 2krt s PHE 68 CO 0.16 0.00 0.02 -0.48 0.70 0.00 0.00 175.22 175.63 2krt s LEU 69 N -0.86 2.16 0.15 -0.37 2.34 -1.03 -5.02 118.68 116.06 2krt s LEU 69 Ca 0.01 -0.75 -0.03 0.00 0.06 0.00 0.00 54.13 53.42 2krt s LEU 69 Cb -0.07 0.37 -0.05 0.00 -0.56 0.00 0.00 46.19 45.88 2krt s LEU 69 CO 0.01 -0.53 0.36 -0.31 -1.06 0.00 0.00 176.35 174.81 2krt s TYR 70 N -3.13 3.48 0.25 3.48 2.02 -1.26 -1.59 117.35 120.60 2krt s TYR 70 Ca -0.00 0.44 -0.04 0.00 -0.37 0.00 0.00 57.07 57.09 2krt s TYR 70 Cb 0.02 -1.92 0.28 0.00 -0.40 0.00 0.00 41.96 39.94 2krt s TYR 70 CO -0.07 0.43 1.78 -1.00 -1.57 0.00 0.00 175.55 175.13 2krt h PRO 71 N 2.56 0.97 -0.21 -1.71 0.13 -1.88 -3.10 132.00 128.77 2krt h PRO 71 Ca -0.46 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 64.43 2krt h PRO 71 Cb 1.17 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 2krt h PRO 71 CO 0.71 0.86 -0.02 -0.25 -0.23 0.00 0.00 178.00 179.07 2krt n ASP 72 N -4.26 3.31 0.00 1.44 8.00 -1.26 -5.00 116.55 118.78 2krt n ASP 72 Ca 0.05 -3.16 0.00 0.00 0.71 0.00 0.00 54.79 52.39 2krt n ASP 72 Cb 0.23 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 2krt n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2krt n GLY 73 N -0.82 1.61 3.82 0.44 0.00 -1.17 -4.95 105.19 104.11 2krt n GLY 73 Ca 0.22 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 6.99 0.15 1.61 2.15 -1.26 -4.67 116.67 121.64 2krt s ASP 74 Ca 0.00 1.68 -0.09 0.00 0.43 0.00 0.00 52.55 54.57 2krt s ASP 74 Cb 0.00 -2.53 -0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2krt s ASP 74 CO 0.00 -0.31 1.49 2.19 -0.17 0.00 0.00 175.17 178.37 2krt h PHE 75 N 2.12 1.04 -0.74 -5.34 -0.00 -1.99 -3.05 116.94 108.99 2krt h PHE 75 Ca -0.49 -0.32 -0.04 0.00 -0.00 0.00 0.00 57.97 57.13 2krt h PHE 75 Cb 1.18 -0.22 -0.03 0.00 -0.00 0.00 0.00 35.95 36.88 2krt h PHE 75 CO 0.62 1.13 0.31 0.78 -0.00 0.00 0.00 178.31 181.15 2krt h GLY 76 N 0.82 1.17 2.00 6.09 0.00 -1.99 -0.67 103.07 110.49 2krt h GLY 76 Ca 0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 2krt h GLY 76 CO 0.10 0.59 -0.06 0.23 0.00 0.00 0.00 176.54 177.40 2krt h SER 77 N 1.05 0.00 0.76 0.19 0.87 -1.94 -0.61 113.55 113.87 2krt h SER 77 Ca 0.25 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.57 2krt h SER 77 Cb 0.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2krt h SER 77 CO -0.02 0.06 -1.07 0.00 -0.53 0.00 0.00 176.83 175.26 2krt h ALA 78 N 1.94 0.28 -0.47 6.23 0.00 -1.11 -3.34 119.26 122.79 2krt h ALA 78 Ca -0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 54.91 53.94 2krt h ALA 78 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2krt h ALA 78 CO 0.01 1.06 -0.15 -0.97 0.00 0.00 0.00 179.25 179.20 2krt h ASN 79 N 0.05 0.91 -1.05 0.00 -1.24 0.27 0.03 115.58 114.55 2krt h ASN 79 Ca -0.07 -0.30 0.27 0.00 0.71 0.00 0.00 56.30 56.91 2krt h ASN 79 Cb 1.79 -0.25 -0.10 0.00 0.73 0.00 0.00 38.32 40.50 2krt h ASN 79 CO 0.16 1.05 0.67 0.07 -1.29 0.00 0.00 177.43 178.09 2krt h LYS 80 N 0.80 0.39 -0.00 6.67 2.10 -1.43 -1.71 116.57 123.39 2krt h LYS 80 Ca 0.12 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 2krt h LYS 80 Cb 0.68 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 2krt h LYS 80 CO 0.05 0.26 -0.05 0.09 -2.00 0.00 0.00 179.45 177.80 2krt n ASN 81 N -4.67 0.75 -2.95 7.07 5.03 -1.22 -1.76 115.26 117.53 2krt n ASN 81 Ca 0.26 -0.88 -0.16 0.00 0.87 0.00 0.00 54.58 54.67 2krt n ASN 81 Cb 0.88 0.42 0.07 0.00 -1.02 0.00 0.00 39.78 40.13 2krt n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2krt n GLY 82 N 0.53 -0.22 3.63 7.41 0.00 -0.15 -4.29 105.19 112.10 2krt n GLY 82 Ca 0.01 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.27 3.88 -0.02 2.61 -4.23 -0.34 -2.36 115.64 111.90 2krt s THR 83 Ca 0.21 -0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 60.10 2krt s THR 83 Cb -0.09 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2krt s THR 83 CO 0.58 0.47 0.08 -0.22 -0.54 0.00 0.00 174.62 174.99 2krt s LEU 84 N -1.23 1.74 -0.38 4.79 2.96 -0.90 -4.74 118.68 120.92 2krt s LEU 84 Ca 0.16 -0.02 -0.11 0.00 -0.22 0.00 0.00 54.13 53.94 2krt s LEU 84 Cb -0.11 0.34 0.03 0.00 0.50 0.00 0.00 46.19 46.95 2krt s LEU 84 CO 0.06 -0.14 0.21 -0.54 -1.32 0.00 0.00 176.35 174.62 2krt s LYS 85 N -0.50 2.80 -0.08 1.98 1.02 -0.62 -1.20 119.74 123.15 2krt s LYS 85 Ca -0.06 -1.10 -0.30 0.00 0.02 0.00 0.00 55.97 54.53 2krt s LYS 85 Cb -0.04 -3.74 -0.02 0.00 -0.52 0.00 0.00 37.83 33.52 2krt s LYS 85 CO 0.00 -0.72 0.99 -0.51 -0.92 0.00 0.00 175.35 174.20 2krt s LEU 86 N 1.55 4.28 -0.65 3.17 2.01 0.20 -2.45 118.68 126.78 2krt s LEU 86 Ca 0.02 1.55 -0.21 0.00 0.01 0.00 0.00 54.13 55.51 2krt s LEU 86 Cb -0.19 -3.55 0.09 0.00 0.01 0.00 0.00 46.19 42.55 2krt s LEU 86 CO 0.07 -0.40 0.86 -0.55 1.01 0.00 0.00 176.35 177.34 2krt s SER 87 N 1.07 6.22 -0.14 2.29 0.15 -0.87 -0.78 113.70 121.64 2krt s SER 87 Ca 0.49 -1.28 -0.08 0.00 0.70 0.00 0.00 55.95 55.77 2krt s SER 87 Cb -0.19 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2krt s SER 87 CO 0.20 -1.27 0.15 -0.76 1.20 0.00 0.00 173.24 172.77 2krt s LEU 88 N 3.33 4.34 -0.44 3.45 1.02 -0.17 -0.74 118.68 129.46 2krt s LEU 88 Ca 0.18 0.42 -0.12 0.00 0.02 0.00 0.00 54.13 54.63 2krt s LEU 88 Cb -0.19 -2.10 0.08 0.00 0.02 0.00 0.00 46.19 44.00 2krt s LEU 88 CO 0.07 0.33 0.31 0.00 0.02 0.00 0.00 176.35 177.08 2krt s MET 89 N -0.60 2.75 -0.46 1.70 0.23 0.29 -0.75 119.30 122.46 2krt s MET 89 Ca 0.13 -1.42 -0.22 0.00 -1.03 0.00 0.00 55.69 53.15 2krt s MET 89 Cb -0.12 -3.92 0.03 0.00 -1.53 0.00 0.00 34.83 29.29 2krt s MET 89 CO 0.03 -0.98 0.74 -0.51 -2.03 0.00 0.00 175.02 172.26 2krt s LEU 90 N 1.51 4.38 -0.54 0.18 2.01 0.76 -3.32 118.68 123.65 2krt s LEU 90 Ca 0.03 -0.28 -0.26 0.00 0.01 0.00 0.00 54.13 53.63 2krt s LEU 90 Cb -0.24 -2.83 0.03 0.00 0.01 0.00 0.00 46.19 43.17 2krt s LEU 90 CO 0.04 -0.90 1.06 -0.89 1.01 0.00 0.00 176.35 176.67 2krt s THR 91 N 3.14 4.23 -0.07 5.49 2.01 -0.83 -0.45 115.64 129.16 2krt s THR 91 Ca 0.26 0.70 -0.30 0.00 0.31 0.00 0.00 61.69 62.67 2krt s THR 91 Cb -0.13 -4.61 -0.03 0.00 0.01 0.00 0.00 72.50 67.74 2krt s THR 91 CO 0.20 -1.16 1.14 -0.62 -0.69 0.00 0.00 174.62 173.50 2krt s ASP 92 N 2.76 7.11 0.13 3.53 -1.08 -0.11 -1.46 116.67 127.54 2krt s ASP 92 Ca 0.38 1.73 0.24 0.00 -0.52 0.00 0.00 52.55 54.38 2krt s ASP 92 Cb -0.09 -2.56 0.24 0.00 -1.46 0.00 0.00 42.92 39.05 2krt s ASP 92 CO 0.24 -0.55 1.23 0.11 0.52 0.00 0.00 175.17 176.73 2krt h LYS 93 N 7.36 0.00 0.05 4.34 1.79 -1.20 0.30 116.57 129.21 2krt h LYS 93 Ca -0.33 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 57.86 2krt h LYS 93 Cb 1.16 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.78 2krt h LYS 93 CO 0.88 0.00 -1.50 1.57 -1.08 0.00 0.00 179.45 179.31 2krt h LYS 94 N 0.00 0.11 0.00 3.15 2.10 -1.92 -3.37 116.57 116.64 2krt h LYS 94 Ca 0.00 -0.19 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 2krt h LYS 94 Cb 0.79 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 2krt h LYS 94 CO 0.00 0.88 -1.69 0.09 -2.00 0.00 0.00 179.45 176.73 2krt n ASN 95 N -3.29 0.53 -1.69 7.07 3.02 -1.25 -5.00 115.26 114.65 2krt n ASN 95 Ca -0.14 -0.22 -0.15 0.00 -0.03 0.00 0.00 54.58 54.04 2krt n ASN 95 Cb 1.02 1.71 -0.01 0.00 -0.61 0.00 0.00 39.78 41.89 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 -2.03 -4.57 -4.43 6.41 5.03 0.10 -5.01 115.26 110.77 2krt n ASN 96 Ca -0.02 0.01 -0.29 0.00 0.87 0.00 0.00 54.58 55.15 2krt n ASN 96 Cb 0.47 -3.69 -0.12 0.00 -1.02 0.00 0.00 39.78 35.42 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 -4.67 1.54 -0.26 3.52 -1.52 -1.13 -4.91 119.66 112.23 2krt s GLN 97 Ca 0.00 -1.34 -0.11 0.00 -1.95 0.00 0.00 55.36 51.96 2krt s GLN 97 Cb 0.00 -1.95 -0.05 0.00 -0.22 0.00 0.00 33.01 30.79 2krt s GLN 97 CO 0.00 0.45 0.18 0.54 -0.25 0.00 0.00 175.29 176.21 2krt s VAL 98 N -1.22 5.33 -0.20 1.09 0.11 -1.26 -0.93 120.40 123.32 2krt s VAL 98 Ca 0.17 0.18 -0.09 0.00 -2.93 0.00 0.00 61.98 59.31 2krt s VAL 98 Cb -0.10 -3.52 -0.04 0.00 -1.53 0.00 0.00 36.38 31.19 2krt s VAL 98 CO 0.08 0.29 0.10 -0.47 -3.33 0.00 0.00 175.10 171.77 2krt s TYR 99 N 1.46 3.29 -0.20 1.54 5.04 0.40 -4.90 117.35 123.98 2krt s TYR 99 Ca 0.07 0.12 -0.20 0.00 -2.44 0.00 0.00 57.07 54.63 2krt s TYR 99 Cb -0.15 -2.15 -0.03 0.00 0.35 0.00 0.00 41.96 39.98 2krt s TYR 99 CO 0.08 0.13 0.58 0.71 -1.34 0.00 0.00 175.55 175.71 2krt s TYR 100 N 0.60 3.37 -0.07 4.97 2.02 -1.26 -0.17 117.35 126.81 2krt s TYR 100 Ca 0.05 0.85 0.04 0.00 -0.37 0.00 0.00 57.07 57.64 2krt s TYR 100 Cb -0.13 -2.74 0.00 0.00 -0.40 0.00 0.00 41.96 38.70 2krt s TYR 100 CO 0.01 -0.15 -0.19 0.21 -1.57 0.00 0.00 175.55 173.86 2krt s LYS 101 N 1.81 2.31 -0.33 -0.62 2.47 0.07 -4.99 119.74 120.46 2krt s LYS 101 Ca 0.26 -0.68 -0.14 0.00 -1.56 0.00 0.00 55.97 53.86 2krt s LYS 101 Cb -0.16 -1.85 -0.02 0.00 -1.46 0.00 0.00 37.83 34.35 2krt s LYS 101 CO 0.10 0.16 0.31 -0.51 0.16 0.00 0.00 175.35 175.57 2krt s LEU 102 N 0.33 4.36 -0.52 5.43 2.01 -1.26 -1.00 118.68 128.03 2krt s LEU 102 Ca -0.13 -0.20 -0.16 0.00 0.01 0.00 0.00 54.13 53.65 2krt s LEU 102 Cb -0.16 -2.27 0.11 0.00 0.01 0.00 0.00 46.19 43.89 2krt s LEU 102 CO 0.05 -0.26 0.49 -0.76 1.01 0.00 0.00 176.35 176.89 2krt s LEU 103 N 1.91 5.95 -0.32 1.79 1.43 0.04 -4.89 118.68 124.59 2krt s LEU 103 Ca 0.10 -1.62 -0.27 0.00 -1.03 0.00 0.00 54.13 51.31 2krt s LEU 103 Cb -0.17 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.85 2krt s LEU 103 CO 0.11 -0.82 0.97 -1.83 0.23 0.00 0.00 176.35 175.01 2krt s GLU 104 N 1.71 4.00 0.46 1.70 -1.05 -1.26 -0.63 118.70 123.63 2krt s GLU 104 Ca 0.04 0.85 0.03 0.00 -0.15 0.00 0.00 54.97 55.74 2krt s GLU 104 Cb -0.28 -3.75 -0.01 0.00 -0.44 0.00 0.00 34.13 29.65 2krt s GLU 104 CO 0.04 -0.85 0.10 0.14 0.95 0.00 0.00 175.26 175.64 2krt s VAL 105 N 3.42 0.69 0.35 1.83 -7.23 -0.34 -4.99 120.40 114.13 2krt s VAL 105 Ca 0.40 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.53 2krt s VAL 105 Cb -0.13 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.62 2krt s VAL 105 CO 0.15 0.00 0.51 -0.55 -0.31 0.00 0.00 175.10 174.90 2krt s SER 106 N -3.72 0.81 0.00 4.85 0.15 -1.26 -2.11 113.70 112.42 2krt s SER 106 Ca 0.15 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.36 2krt s SER 106 Cb 0.01 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 2krt s SER 106 CO 0.10 -1.34 0.00 0.61 1.20 0.00 0.00 173.24 173.81 2krt n GLY 107 N -0.56 0.81 0.10 9.45 0.00 -1.00 -4.97 105.19 109.02 2krt n GLY 107 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.21 -3.75 1.61 0.04 -1.57 -3.40 116.94 110.09 2krt h PHE 108 Ca 0.00 -0.05 -0.17 0.00 2.80 0.00 0.00 57.97 60.55 2krt h PHE 108 Cb 0.00 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 38.04 2krt h PHE 108 CO 0.00 0.54 -0.06 0.21 -0.60 0.00 0.00 178.31 178.40 2krt s LYS 109 N -4.59 1.91 -0.30 1.51 2.47 -1.26 -3.95 119.74 115.53 2krt s LYS 109 Ca -0.15 -1.57 0.05 0.00 -1.56 0.00 0.00 55.97 52.75 2krt s LYS 109 Cb 0.04 0.49 0.19 0.00 -1.46 0.00 0.00 37.83 37.10 2krt s LYS 109 CO 0.71 -0.82 0.55 -1.54 0.16 0.00 0.00 175.35 174.41 2krt s SER 110 N -3.15 -1.15 -0.53 1.43 1.04 -1.26 -2.34 113.70 107.74 2krt s SER 110 Ca 0.25 0.00 0.06 0.00 0.48 0.00 0.00 55.95 56.75 2krt s SER 110 Cb -0.02 1.81 0.23 0.00 0.10 0.00 0.00 66.02 68.15 2krt s SER 110 CO 0.16 -0.31 0.60 0.59 0.98 0.00 0.00 173.24 175.26 2krt n ASN 111 N 5.36 1.92 0.18 7.02 5.03 -0.72 -4.96 115.26 129.08 2krt n ASN 111 Ca 0.04 -3.03 -0.08 0.00 0.87 0.00 0.00 54.58 52.38 2krt n ASN 111 Cb 0.53 -0.66 -0.04 0.00 -1.02 0.00 0.00 39.78 38.60 2krt n ASN 111 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 2krt h PRO 112 N 4.36 -0.49 0.00 3.52 0.11 -1.73 -3.15 132.00 134.62 2krt h PRO 112 Ca 0.15 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 2krt h PRO 112 Cb 0.78 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 2krt h PRO 112 CO 0.64 -0.33 -0.21 0.10 -0.21 0.00 0.00 178.00 177.99 2krt h TYR 113 N -0.90 0.00 0.00 0.65 -0.00 -1.94 -3.32 116.97 111.46 2krt h TYR 113 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.68 2krt h TYR 113 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.12 2krt h TYR 113 CO 0.03 0.12 0.00 -0.07 -0.00 0.00 0.00 178.16 178.24 2krt h LEU 114 N 0.00 0.00 0.00 0.10 3.38 -1.93 -2.90 115.31 113.96 2krt h LEU 114 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2krt h LEU 114 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2krt h LEU 114 CO 0.02 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 2krt n GLU 115 N -3.08 0.13 0.00 1.13 -0.58 -1.19 -2.92 120.64 114.13 2krt n GLU 115 Ca 0.01 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2krt n GLU 115 Cb 0.34 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 2krt n GLU 115 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2krt n HIS 116 N -1.08 0.00 1.72 -0.32 1.44 -1.10 -1.49 115.22 114.39 2krt n HIS 116 Ca 0.03 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.76 2krt n HIS 116 Cb 0.02 -0.32 0.11 0.00 0.12 0.00 0.00 29.99 29.93 2krt n HIS 116 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2krt n HIS 117 N -1.30 0.00 -0.99 -1.40 -0.00 -1.15 -4.84 115.22 105.54 2krt n HIS 117 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 2krt n HIS 117 Cb 0.08 0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.22 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 -2.00 2.05 0.00 -1.40 3.76 -0.55 -3.44 115.29 113.70 2krt s HIS 118 Ca 0.06 1.44 0.00 0.00 -0.15 0.00 0.00 55.06 56.41 2krt s HIS 118 Cb 0.03 -3.17 0.00 0.00 1.11 0.00 0.00 32.58 30.54 2krt s HIS 118 CO 0.04 -2.60 0.00 1.58 -0.85 0.00 0.00 174.74 172.91 2krt n HIS 119 N -4.06 0.00 -1.67 1.40 -0.00 -1.26 -4.94 115.22 104.69 2krt n HIS 119 Ca 0.08 0.00 -0.46 0.00 0.46 0.00 0.00 57.72 57.80 2krt n HIS 119 Cb 0.54 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.37 2krt n HIS 119 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2krt n HIS 120 N 0.00 2.28 0.17 1.57 -0.00 -1.22 -5.31 115.22 112.70 2krt n HIS 120 Ca 0.00 0.26 0.02 0.00 -0.00 0.00 0.00 57.72 58.00 2krt n HIS 120 Cb 0.00 -2.55 0.02 0.00 -0.00 0.00 0.00 29.99 27.46 2krt n HIS 120 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06