#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 2.12 0.10 3.17 1.02 -1.26 -5.16 118.68 118.67 2krt s LEU 2 Ca 0.00 -0.46 -0.20 0.00 0.02 0.00 0.00 54.13 53.49 2krt s LEU 2 Cb 0.00 -1.00 0.05 0.00 0.02 0.00 0.00 46.19 45.26 2krt s LEU 2 CO 0.00 0.19 0.48 -0.55 0.02 0.00 0.00 176.35 176.50 2krt s SER 3 N -0.92 -0.38 -0.30 2.29 0.15 -1.26 -5.15 113.70 108.14 2krt s SER 3 Ca 0.08 -0.06 -0.11 0.00 0.70 0.00 0.00 55.95 56.55 2krt s SER 3 Cb -0.08 0.50 0.17 0.00 -1.71 0.00 0.00 66.02 64.90 2krt s SER 3 CO 0.01 -0.82 0.94 0.00 1.20 0.00 0.00 173.24 174.57 2krt s GLN 4 N -3.23 0.30 0.00 5.44 1.03 -1.26 -5.04 119.66 116.89 2krt s GLN 4 Ca -0.01 0.61 0.00 0.00 0.04 0.00 0.00 55.36 56.00 2krt s GLN 4 Cb 0.00 0.35 0.00 0.00 0.03 0.00 0.00 33.01 33.40 2krt s GLN 4 CO -0.08 -0.25 0.00 0.00 -2.54 0.00 0.00 175.29 172.42 2krt n ALA 5 N 5.30 0.00 -0.03 2.60 0.00 -1.26 -4.99 120.51 122.13 2krt n ALA 5 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 2krt n ALA 5 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 2krt n ALA 5 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2krt n ASN 6 N 0.00 1.38 0.07 0.00 5.03 -1.26 -4.48 115.26 116.00 2krt n ASN 6 Ca 0.00 0.26 -0.03 0.00 0.87 0.00 0.00 54.58 55.68 2krt n ASN 6 Cb 0.00 -0.31 0.21 0.00 -1.02 0.00 0.00 39.78 38.66 2krt n ASN 6 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 2krt h GLU 7 N 0.03 0.31 -0.38 3.52 4.11 -1.99 -2.82 114.58 117.35 2krt h GLU 7 Ca -0.39 -0.14 -0.10 0.00 0.07 0.00 0.00 59.36 58.80 2krt h GLU 7 Cb 2.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 2krt h GLU 7 CO 0.07 0.65 -0.16 0.38 0.07 0.00 0.00 179.01 180.01 2krt h ASP 8 N 0.26 0.81 0.03 3.06 2.03 -1.95 -0.43 116.42 120.23 2krt h ASP 8 Ca 0.03 -0.39 -0.00 0.00 -0.73 0.00 0.00 57.03 55.93 2krt h ASP 8 Cb 0.79 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 2krt h ASP 8 CO 0.06 1.02 -0.02 -0.26 -1.03 0.00 0.00 179.24 179.02 2krt h PHE 9 N 0.59 -0.04 -0.42 4.15 0.04 -1.78 -2.72 116.94 116.75 2krt h PHE 9 Ca 0.09 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.88 2krt h PHE 9 Cb 0.70 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 2krt h PHE 9 CO 0.06 0.47 0.28 1.57 -0.60 0.00 0.00 178.31 180.08 2krt h LYS 10 N -0.57 0.46 -0.04 1.51 2.10 -1.53 -0.94 116.57 117.57 2krt h LYS 10 Ca -0.00 -0.03 0.03 0.00 -2.00 0.00 0.00 60.65 58.64 2krt h LYS 10 Cb 0.53 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 31.72 2krt h LYS 10 CO 0.01 0.31 -0.14 -0.22 -2.00 0.00 0.00 179.45 177.41 2krt h LYS 11 N 0.48 -0.20 -0.83 0.07 3.64 -1.05 -2.33 116.57 116.33 2krt h LYS 11 Ca 0.17 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.71 2krt h LYS 11 Cb 0.08 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 31.85 2krt h LYS 11 CO -0.04 -0.13 0.41 0.82 -2.27 0.00 0.00 179.45 178.23 2krt h ILE 12 N -0.21 0.69 -0.60 2.00 2.04 -0.85 0.41 117.51 120.98 2krt h ILE 12 Ca 0.06 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2krt h ILE 12 Cb 0.29 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 2krt h ILE 12 CO -0.16 0.10 0.32 0.58 0.00 0.00 0.00 178.15 178.99 2krt h VAL 13 N 0.57 1.20 0.00 1.67 2.07 -1.14 -2.54 116.25 118.07 2krt h VAL 13 Ca 0.46 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 2krt h VAL 13 Cb 0.69 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2krt h VAL 13 CO -0.39 0.22 -0.26 0.78 0.02 0.00 0.00 177.57 177.94 2krt h ASN 14 N 0.81 0.00 -0.36 0.57 2.35 -0.73 -3.23 115.58 115.00 2krt h ASN 14 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2krt h ASN 14 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2krt h ASN 14 CO -0.03 0.26 0.00 0.59 -1.65 0.00 0.00 177.43 176.60 2krt n ASN 15 N -3.16 2.02 -4.75 5.81 5.03 0.13 -4.91 115.26 115.43 2krt n ASN 15 Ca 0.03 -2.02 -0.41 0.00 0.87 0.00 0.00 54.58 53.04 2krt n ASN 15 Cb 0.64 -0.26 -0.03 0.00 -1.02 0.00 0.00 39.78 39.11 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 -1.53 3.00 -0.01 2.41 1.01 -0.99 -4.87 121.20 120.22 2krt s ILE 16 Ca 0.24 0.86 -0.02 0.00 0.00 0.00 0.00 60.65 61.73 2krt s ILE 16 Cb 0.13 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 39.05 2krt s ILE 16 CO 0.16 0.15 0.05 -0.60 0.00 0.00 0.00 174.94 174.70 2krt s ARG 17 N -0.51 0.19 0.00 2.79 6.06 -1.26 -4.98 118.95 121.23 2krt s ARG 17 Ca 0.56 -0.14 0.00 0.00 -2.50 0.00 0.00 55.73 53.65 2krt s ARG 17 Cb -0.38 0.08 0.00 0.00 0.06 0.00 0.00 34.95 34.71 2krt s ARG 17 CO 0.42 -0.03 0.39 1.47 -2.50 0.00 0.00 175.30 175.04 2krt n LEU 18 N 2.49 0.04 0.00 -0.88 -0.00 -1.26 -1.34 117.00 116.05 2krt n LEU 18 Ca -0.16 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 2krt n LEU 18 Cb 0.58 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2krt n LEU 18 CO 0.23 0.01 -0.12 1.17 -0.00 0.00 0.00 177.39 178.67 2krt n LYS 19 N -0.42 0.00 0.04 1.47 0.00 -1.22 -4.41 118.16 113.62 2krt n LYS 19 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.27 2krt n LYS 19 Cb 0.01 -0.56 -0.09 0.00 0.00 0.00 0.00 35.03 34.39 2krt n LYS 19 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2krt h ASP 20 N 0.00 0.00 0.00 3.14 3.58 -1.93 -3.41 116.42 117.80 2krt h ASP 20 Ca 0.00 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.21 2krt h ASP 20 Cb 0.25 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.26 2krt h ASP 20 CO 0.00 0.77 -1.61 0.41 -2.88 0.00 0.00 179.24 175.93 2krt n THR 21 N -3.09 1.51 -3.73 2.25 -1.04 -0.45 -4.64 114.28 105.09 2krt n THR 21 Ca -0.08 -0.10 -0.11 0.00 -2.04 0.00 0.00 64.05 61.73 2krt n THR 21 Cb 0.90 -2.10 -0.06 0.00 -1.82 0.00 0.00 70.33 67.25 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 -2.54 -0.10 -0.37 -1.42 -0.71 -1.21 -2.17 117.98 109.46 2krt s PHE 22 Ca -0.31 -0.12 -0.12 0.00 -1.04 0.00 0.00 56.93 55.33 2krt s PHE 22 Cb 0.09 0.12 0.01 0.00 -1.21 0.00 0.00 43.02 42.03 2krt s PHE 22 CO 0.46 -0.57 0.23 -0.51 -1.34 0.00 0.00 175.22 173.49 2krt s ASP 23 N -2.39 5.88 -0.23 1.98 1.01 -0.11 -3.45 116.67 119.36 2krt s ASP 23 Ca -0.01 -0.78 -0.13 0.00 0.71 0.00 0.00 52.55 52.34 2krt s ASP 23 Cb 0.01 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 2krt s ASP 23 CO -0.07 -0.35 0.28 0.72 0.21 0.00 0.00 175.17 175.96 2krt s PHE 24 N 1.63 3.33 -0.18 4.23 -0.71 -1.26 -0.81 117.98 124.22 2krt s PHE 24 Ca 0.04 0.40 -0.03 0.00 -1.04 0.00 0.00 56.93 56.30 2krt s PHE 24 Cb -0.18 -2.40 -0.02 0.00 -1.21 0.00 0.00 43.02 39.21 2krt s PHE 24 CO 0.08 0.01 -0.05 0.21 -1.34 0.00 0.00 175.22 174.13 2krt s LYS 25 N 1.24 3.48 0.10 1.99 2.20 0.07 -4.90 119.74 123.92 2krt s LYS 25 Ca 0.13 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 2krt s LYS 25 Cb -0.14 -2.91 -0.06 0.00 -1.51 0.00 0.00 37.83 33.20 2krt s LYS 25 CO 0.06 0.02 1.09 -0.51 -0.36 0.00 0.00 175.35 175.66 2krt s LEU 26 N 0.91 4.43 0.29 5.43 2.01 -1.25 -0.43 118.68 130.07 2krt s LEU 26 Ca -0.01 1.95 -0.01 0.00 0.01 0.00 0.00 54.13 56.07 2krt s LEU 26 Cb -0.15 -3.59 0.46 0.00 0.01 0.00 0.00 46.19 42.93 2krt s LEU 26 CO 0.01 -0.29 1.91 0.00 1.01 0.00 0.00 176.35 179.00 2krt h ALA 27 N 6.01 1.45 -0.06 4.21 0.00 -1.74 -2.15 119.26 126.98 2krt h ALA 27 Ca -0.43 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 2krt h ALA 27 Cb 1.21 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2krt h ALA 27 CO 0.76 0.43 -0.85 0.00 0.00 0.00 0.00 179.25 179.58 2krt h ALA 28 N 1.48 0.38 -2.61 0.00 0.00 -1.92 -3.38 119.26 113.21 2krt h ALA 28 Ca 0.39 -0.65 -0.61 0.00 0.00 0.00 0.00 54.91 54.04 2krt h ALA 28 Cb 0.12 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.47 2krt h ALA 28 CO -0.14 0.75 -0.59 1.19 0.00 0.00 0.00 179.25 180.46 2krt n PHE 29 N -3.84 3.40 0.79 0.00 3.72 -0.97 -4.93 117.46 115.63 2krt n PHE 29 Ca -0.07 -4.22 0.11 0.00 -0.05 0.00 0.00 57.45 53.22 2krt n PHE 29 Cb 0.78 -0.58 0.49 0.00 -0.94 0.00 0.00 39.48 39.23 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 1.39 0.01 -0.23 -1.08 -0.04 -0.85 -3.36 135.00 130.84 2krt n PRO 30 Ca 0.25 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.88 2krt n PRO 30 Cb 0.38 -1.52 0.08 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.54 1.41 -4.23 3.54 3.02 -1.26 -4.90 115.26 111.30 2krt n ASN 31 Ca 0.06 -2.63 -0.32 0.00 -0.03 0.00 0.00 54.58 51.65 2krt n ASN 31 Cb 0.28 -0.33 -0.17 0.00 -0.61 0.00 0.00 39.78 38.95 2krt n ASN 31 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2krt s GLN 32 N -1.71 3.07 0.56 3.52 -0.21 -1.21 -5.13 119.66 118.55 2krt s GLN 32 Ca 0.19 -0.86 -0.11 0.00 0.02 0.00 0.00 55.36 54.60 2krt s GLN 32 Cb 0.16 -2.34 -0.05 0.00 1.00 0.00 0.00 33.01 31.79 2krt s GLN 32 CO 0.02 0.16 0.96 1.21 -2.12 0.00 0.00 175.29 175.52 2krt s ASN 33 N 0.38 6.32 0.42 5.90 3.84 -1.26 -4.89 114.94 125.66 2krt s ASN 33 Ca -0.17 1.34 0.12 0.00 0.21 0.00 0.00 52.86 54.35 2krt s ASN 33 Cb -0.18 -2.43 0.95 0.00 -0.55 0.00 0.00 41.25 39.05 2krt s ASN 33 CO 0.08 -0.74 1.98 0.10 -2.79 0.00 0.00 177.10 175.73 2krt h TYR 34 N 0.10 0.52 0.00 0.43 -0.00 -1.95 0.24 116.97 116.30 2krt h TYR 34 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.29 2krt h TYR 34 Cb 1.19 -0.17 0.00 0.00 0.00 0.00 0.00 36.73 37.75 2krt h TYR 34 CO 0.64 0.26 0.00 -3.47 -0.00 0.00 0.00 178.16 175.58 2krt n ASP 35 N -4.48 0.00 -0.36 0.10 2.03 -1.26 -2.96 116.55 109.63 2krt n ASP 35 Ca 0.10 -0.07 0.04 0.00 0.52 0.00 0.00 54.79 55.38 2krt n ASP 35 Cb 0.32 -0.30 0.04 0.00 -0.72 0.00 0.00 41.12 40.46 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 -1.30 0.37 -4.16 -0.67 1.13 0.71 -4.96 117.38 108.51 2krt n GLN 36 Ca 0.13 -1.08 -0.17 0.00 -1.94 0.00 0.00 57.00 53.95 2krt n GLN 36 Cb 0.23 -1.17 -0.15 0.00 0.11 0.00 0.00 30.24 29.26 2krt n GLN 36 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2krt s LEU 37 N -0.74 1.87 0.14 1.08 1.98 -0.44 -4.83 118.68 117.73 2krt s LEU 37 Ca 0.11 -0.10 -0.28 0.00 -2.89 0.00 0.00 54.13 50.97 2krt s LEU 37 Cb 0.07 -0.30 -0.07 0.00 0.66 0.00 0.00 46.19 46.56 2krt s LEU 37 CO 0.11 0.04 0.88 -0.76 -1.89 0.00 0.00 176.35 174.73 2krt s LEU 38 N 0.08 4.55 0.45 -0.68 2.01 -1.26 -4.79 118.68 119.03 2krt s LEU 38 Ca -0.00 1.73 0.19 0.00 0.01 0.00 0.00 54.13 56.06 2krt s LEU 38 Cb -0.04 -3.47 1.15 0.00 0.01 0.00 0.00 46.19 43.84 2krt s LEU 38 CO -0.00 0.06 1.91 1.55 1.01 0.00 0.00 176.35 180.88 2krt h PRO 39 N 5.00 0.31 -0.98 1.29 0.13 -2.00 -0.35 132.00 135.40 2krt h PRO 39 Ca -0.44 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.73 2krt h PRO 39 Cb 1.21 -0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 2krt h PRO 39 CO 0.70 0.20 0.64 0.77 -0.23 0.00 0.00 178.00 180.08 2krt h SER 40 N 0.32 1.01 0.03 1.44 0.02 -2.01 -1.31 113.55 113.05 2krt h SER 40 Ca 0.39 0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 61.09 2krt h SER 40 Cb 1.04 -0.21 0.02 0.00 0.14 0.00 0.00 62.40 63.38 2krt h SER 40 CO -0.11 0.65 -0.97 1.56 -1.14 0.00 0.00 176.83 176.82 2krt h GLN 41 N 1.15 0.68 -0.30 3.45 4.20 -1.47 -3.29 115.11 119.53 2krt h GLN 41 Ca 0.42 -0.69 0.03 0.00 0.06 0.00 0.00 58.65 58.47 2krt h GLN 41 Cb 0.17 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2krt h GLN 41 CO -0.17 1.28 0.13 0.82 -0.67 0.00 0.00 178.83 180.22 2krt h ILE 42 N 0.40 0.95 -0.31 2.54 2.04 -1.10 -2.60 117.51 119.43 2krt h ILE 42 Ca -0.11 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.73 2krt h ILE 42 Cb 1.62 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2krt h ILE 42 CO 0.19 0.05 0.22 0.22 0.00 0.00 0.00 178.15 178.83 2krt h TYR 43 N 0.28 0.10 0.00 1.37 3.20 -1.33 -0.85 116.97 119.74 2krt h TYR 43 Ca 0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2krt h TYR 43 Cb 0.08 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.31 2krt h TYR 43 CO -0.12 0.05 0.00 0.87 -1.64 0.00 0.00 178.16 177.33 2krt h LYS 44 N 0.10 0.00 0.00 1.82 1.79 -1.53 -3.00 116.57 115.75 2krt h LYS 44 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2krt h LYS 44 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2krt h LYS 44 CO -0.01 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.45 2krt n ASN 45 N -2.70 0.00 -0.33 0.86 5.03 -0.32 -4.00 115.26 113.81 2krt n ASN 45 Ca 0.02 -0.20 0.22 0.00 0.87 0.00 0.00 54.58 55.48 2krt n ASN 45 Cb 0.31 -0.26 0.48 0.00 -1.02 0.00 0.00 39.78 39.29 2krt n ASN 45 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.26 175.53 2krt h TYR 46 N 0.00 0.73 0.02 3.10 -0.00 -1.67 -0.91 116.97 118.24 2krt h TYR 46 Ca 0.00 0.03 -0.14 0.00 -0.00 0.00 0.00 58.73 58.62 2krt h TYR 46 Cb 0.25 -0.21 0.01 0.00 -0.00 0.00 0.00 36.73 36.78 2krt h TYR 46 CO 0.00 0.07 -0.54 -0.92 -0.00 0.00 0.00 178.16 176.77 2krt h TYR 47 N 0.44 0.50 -0.51 0.10 3.20 -1.87 -3.34 116.97 115.49 2krt h TYR 47 Ca 0.60 -0.29 -0.10 0.00 3.14 0.00 0.00 58.73 62.08 2krt h TYR 47 Cb 1.44 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.64 2krt h TYR 47 CO -0.00 1.13 -0.09 1.96 -1.64 0.00 0.00 178.16 179.51 2krt h GLN 48 N -0.27 0.94 0.00 1.82 1.08 -1.58 -3.49 115.11 113.61 2krt h GLN 48 Ca -0.07 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 2krt h GLN 48 Cb 1.30 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 2krt h GLN 48 CO 0.11 0.98 0.00 0.41 -0.95 0.00 0.00 178.83 179.38 2krt n GLY 49 N -0.36 3.50 3.19 3.46 0.00 -0.44 -4.89 105.19 109.65 2krt n GLY 49 Ca 0.02 -1.77 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.35 1.61 -0.39 -0.61 1.01 -1.26 -2.03 121.20 117.18 2krt s ILE 50 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.64 2krt s ILE 50 Cb 0.00 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.11 2krt s ILE 50 CO 0.00 0.46 0.45 -1.61 0.00 0.00 0.00 174.94 174.24 2krt s GLU 51 N -0.15 3.33 -0.62 2.79 0.41 0.43 -4.90 118.70 119.98 2krt s GLU 51 Ca -0.00 -0.52 -0.20 0.00 -0.41 0.00 0.00 54.97 53.83 2krt s GLU 51 Cb -0.11 -3.89 0.10 0.00 -1.78 0.00 0.00 34.13 28.44 2krt s GLU 51 CO 0.02 -0.74 0.78 0.42 -0.49 0.00 0.00 175.26 175.24 2krt s ILE 52 N 2.22 4.70 -0.77 -1.63 -1.09 -1.26 -0.75 121.20 122.63 2krt s ILE 52 Ca 0.14 -0.87 -0.21 0.00 -2.23 0.00 0.00 60.65 57.48 2krt s ILE 52 Cb -0.16 -4.54 0.09 0.00 -1.58 0.00 0.00 42.46 36.27 2krt s ILE 52 CO 0.14 -1.22 1.03 -1.58 -1.23 0.00 0.00 174.94 172.08 2krt s GLN 53 N 3.00 3.30 0.25 2.79 0.74 0.01 -4.95 119.66 124.80 2krt s GLN 53 Ca 0.14 -1.20 -0.30 0.00 0.05 0.00 0.00 55.36 54.05 2krt s GLN 53 Cb -0.22 -4.52 -0.10 0.00 1.10 0.00 0.00 33.01 29.27 2krt s GLN 53 CO 0.07 -1.80 1.46 1.14 -0.55 0.00 0.00 175.29 175.60 2krt s GLN 54 N 3.54 4.25 0.03 1.67 -2.07 -1.26 -0.94 119.66 124.88 2krt s GLN 54 Ca 0.26 2.33 -0.01 0.00 -1.82 0.00 0.00 55.36 56.12 2krt s GLN 54 Cb -0.12 -3.10 -0.00 0.00 -1.09 0.00 0.00 33.01 28.69 2krt s GLN 54 CO 0.02 -0.44 -0.02 1.58 -1.32 0.00 0.00 175.29 175.11 2krt n HIS 55 N 2.35 0.00 -0.26 9.60 -0.00 -0.92 -4.93 115.22 121.06 2krt n HIS 55 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2krt n HIS 55 Cb 0.40 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.24 2krt n HIS 55 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2krt n LYS 56 N -2.97 3.42 -1.51 1.57 2.85 -1.07 -4.83 118.16 115.62 2krt n LYS 56 Ca -0.01 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 2krt n LYS 56 Cb 0.03 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.28 2krt n LYS 56 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2krt n TYR 57 N 0.00 0.67 -0.98 5.58 4.02 -1.26 -4.61 117.16 120.58 2krt n TYR 57 Ca 0.00 -0.02 0.04 0.00 -0.01 0.00 0.00 57.90 57.91 2krt n TYR 57 Cb 0.00 -1.75 0.06 0.00 -0.02 0.00 0.00 39.34 37.63 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 7.35 1.32 -0.01 -0.72 1.13 -1.26 -4.74 117.38 120.45 2krt n GLN 58 Ca 0.52 -1.77 -0.21 0.00 -1.94 0.00 0.00 57.00 53.61 2krt n GLN 58 Cb 0.33 -1.07 -0.14 0.00 0.11 0.00 0.00 30.24 29.48 2krt n GLN 58 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 2krt h ASN 59 N 0.00 0.31 1.77 1.08 2.35 -2.00 -3.38 115.58 115.72 2krt h ASN 59 Ca 0.00 -0.84 -0.02 0.00 -0.55 0.00 0.00 56.30 54.90 2krt h ASN 59 Cb 0.95 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.22 2krt h ASN 59 CO 0.00 1.53 -0.23 -0.08 -1.65 0.00 0.00 177.43 177.00 2krt h GLU 60 N -0.45 0.00 -4.29 0.81 4.81 -1.95 -3.45 114.58 110.06 2krt h GLU 60 Ca -0.27 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.47 2krt h GLU 60 Cb 1.63 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.67 2krt h GLU 60 CO 0.03 0.08 -0.80 -0.48 -0.73 0.00 0.00 179.01 177.11 2krt s LEU 61 N -6.13 1.39 -0.26 1.64 2.34 -1.26 -0.90 118.68 115.52 2krt s LEU 61 Ca 0.05 -0.25 -0.14 0.00 0.06 0.00 0.00 54.13 53.86 2krt s LEU 61 Cb 0.06 -0.72 -0.04 0.00 -0.56 0.00 0.00 46.19 44.93 2krt s LEU 61 CO 0.70 -0.04 0.33 -0.62 -1.06 0.00 0.00 176.35 175.66 2krt s ASP 62 N 1.06 6.24 -0.28 1.48 2.15 -0.63 -4.67 116.67 122.01 2krt s ASP 62 Ca -0.08 0.27 -0.11 0.00 0.43 0.00 0.00 52.55 53.06 2krt s ASP 62 Cb -0.14 -2.19 -0.05 0.00 -0.30 0.00 0.00 42.92 40.24 2krt s ASP 62 CO -0.01 -0.12 0.19 -0.63 -0.17 0.00 0.00 175.17 174.43 2krt s ILE 63 N 1.78 5.28 -0.02 4.11 1.01 -1.26 -1.18 121.20 130.91 2krt s ILE 63 Ca 0.14 0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.99 2krt s ILE 63 Cb -0.15 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 2krt s ILE 63 CO 0.09 0.26 -0.15 -0.54 0.00 0.00 0.00 174.94 174.60 2krt s LYS 64 N 1.73 1.35 0.08 2.79 -0.14 -1.17 -4.96 119.74 119.42 2krt s LYS 64 Ca 0.07 -0.52 -0.23 0.00 -1.36 0.00 0.00 55.97 53.93 2krt s LYS 64 Cb -0.16 -1.25 -0.07 0.00 -1.68 0.00 0.00 37.83 34.67 2krt s LYS 64 CO 0.11 0.27 0.69 0.42 -0.76 0.00 0.00 175.35 176.07 2krt s ILE 65 N -0.15 4.65 -0.05 2.17 1.01 -1.26 -1.01 121.20 126.56 2krt s ILE 65 Ca 0.02 1.48 -0.04 0.00 0.00 0.00 0.00 60.65 62.10 2krt s ILE 65 Cb -0.08 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 2krt s ILE 65 CO 0.00 0.48 -0.08 -0.38 0.00 0.00 0.00 174.94 174.96 2krt n ILE 66 N 2.11 0.40 -3.40 2.92 5.41 0.47 -4.93 119.36 122.34 2krt n ILE 66 Ca -0.06 0.41 -0.04 0.00 1.00 0.00 0.00 62.75 64.05 2krt n ILE 66 Cb 0.50 -1.73 0.01 0.00 -0.71 0.00 0.00 39.64 37.71 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 -2.99 -1.08 -4.01 4.38 0.23 -1.25 -5.03 115.26 105.51 2krt n ASN 67 Ca -0.03 -1.77 -0.19 0.00 -0.53 0.00 0.00 54.58 52.06 2krt n ASN 67 Cb 0.12 1.81 -0.15 0.00 -2.08 0.00 0.00 39.78 39.48 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 -5.64 0.80 0.03 -2.53 0.08 -1.26 -2.22 117.98 107.24 2krt s PHE 68 Ca 0.08 -0.16 -0.03 0.00 0.12 0.00 0.00 56.93 56.94 2krt s PHE 68 Cb -0.02 -0.53 -0.02 0.00 -0.57 0.00 0.00 43.02 41.88 2krt s PHE 68 CO 0.06 -0.02 0.04 -0.48 -0.10 0.00 0.00 175.22 174.72 2krt s LEU 69 N -0.15 2.04 0.60 -0.37 2.34 -0.86 -5.00 118.68 117.28 2krt s LEU 69 Ca 0.02 -0.60 -0.13 0.00 0.06 0.00 0.00 54.13 53.48 2krt s LEU 69 Cb -0.04 0.40 -0.04 0.00 -0.56 0.00 0.00 46.19 45.95 2krt s LEU 69 CO -0.00 -0.47 1.03 -0.31 -1.06 0.00 0.00 176.35 175.53 2krt s TYR 70 N -2.53 3.40 0.02 3.48 2.02 -1.26 -0.92 117.35 121.56 2krt s TYR 70 Ca -0.06 1.39 -0.04 0.00 -0.37 0.00 0.00 57.07 57.99 2krt s TYR 70 Cb -0.02 -2.81 -0.01 0.00 -0.40 0.00 0.00 41.96 38.72 2krt s TYR 70 CO -0.05 -0.76 1.07 -1.35 -1.57 0.00 0.00 175.55 172.90 2krt h PRO 71 N 0.04 -0.04 -0.64 -1.71 0.11 -1.83 -2.05 132.00 125.88 2krt h PRO 71 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2krt h PRO 71 Cb 1.20 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2krt h PRO 71 CO 0.60 -0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 2krt n ASP 72 N -3.09 3.87 0.00 -2.05 9.92 -1.26 -4.91 116.55 119.03 2krt n ASP 72 Ca -0.00 -2.43 0.00 0.00 -0.53 0.00 0.00 54.79 51.82 2krt n ASP 72 Cb 0.04 -0.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 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 0.77 2.60 3.79 0.44 0.00 -0.77 -5.00 105.19 107.01 2krt n GLY 73 Ca 0.19 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2krt n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2krt s ASP 74 N 0.20 7.25 0.29 1.61 1.01 -1.26 -4.58 116.67 121.18 2krt s ASP 74 Ca 0.00 1.63 0.05 0.00 0.71 0.00 0.00 52.55 54.94 2krt s ASP 74 Cb 0.00 -2.50 0.45 0.00 1.01 0.00 0.00 42.92 41.88 2krt s ASP 74 CO 0.00 0.04 1.72 2.19 0.21 0.00 0.00 175.17 179.32 2krt h PHE 75 N 3.54 0.39 -0.58 4.23 -5.15 -1.98 -2.76 116.94 114.63 2krt h PHE 75 Ca -0.47 -0.09 0.05 0.00 -0.20 0.00 0.00 57.97 57.26 2krt h PHE 75 Cb 1.20 -0.09 -0.05 0.00 0.22 0.00 0.00 35.95 37.22 2krt h PHE 75 CO 0.63 0.64 0.31 0.78 -2.00 0.00 0.00 178.31 178.67 2krt h GLY 76 N 1.10 0.84 0.81 6.09 0.00 -1.97 -1.44 103.07 108.50 2krt h GLY 76 Ca 0.04 -0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.21 2krt h GLY 76 CO 0.06 0.13 0.64 0.23 0.00 0.00 0.00 176.54 177.59 2krt h SER 77 N 0.58 1.03 -0.58 0.19 0.87 -1.91 -1.44 113.55 112.30 2krt h SER 77 Ca 0.26 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 2krt h SER 77 Cb 0.17 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 2krt h SER 77 CO -0.17 0.68 0.20 0.00 -0.53 0.00 0.00 176.83 177.00 2krt h ALA 78 N 1.45 1.20 0.16 6.23 0.00 -1.10 -2.87 119.26 124.33 2krt h ALA 78 Ca 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2krt h ALA 78 Cb 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2krt h ALA 78 CO -0.15 0.57 -0.08 -0.91 0.00 0.00 0.00 179.25 178.68 2krt h ASN 79 N 0.90 -0.18 -0.52 0.00 -0.26 -0.56 0.15 115.58 115.11 2krt h ASN 79 Ca 0.20 -0.36 0.07 0.00 -0.56 0.00 0.00 56.30 55.66 2krt h ASN 79 Cb 0.24 0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.52 2krt h ASN 79 CO -0.01 0.33 0.35 0.07 -1.06 0.00 0.00 177.43 177.10 2krt h LYS 80 N -0.76 0.38 0.06 0.81 2.10 -1.28 0.16 116.57 118.04 2krt h LYS 80 Ca -0.02 -0.02 -0.36 0.00 -2.00 0.00 0.00 60.65 58.25 2krt h LYS 80 Cb 0.52 -0.09 -0.04 0.00 -0.90 0.00 0.00 32.23 31.73 2krt h LYS 80 CO 0.04 0.25 -2.05 -1.71 -2.00 0.00 0.00 179.45 173.97 2krt n ASN 81 N -4.47 2.03 -0.19 7.07 2.85 -1.09 -4.07 115.26 117.39 2krt n ASN 81 Ca 0.08 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.71 2krt n ASN 81 Cb 0.30 -0.76 0.00 0.00 1.24 0.00 0.00 39.78 40.56 2krt n ASN 81 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2krt n GLY 82 N 1.89 0.75 3.46 8.20 0.00 0.51 -4.67 105.19 115.34 2krt n GLY 82 Ca -0.38 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.39 1.58 -0.12 2.61 -4.23 -1.22 -2.29 115.64 109.58 2krt s THR 83 Ca 0.00 -2.08 -0.13 0.00 -1.18 0.00 0.00 61.69 58.30 2krt s THR 83 Cb 0.00 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.26 2krt s THR 83 CO 0.00 -0.18 0.36 -0.22 -0.54 0.00 0.00 174.62 174.04 2krt s LEU 84 N -3.49 0.63 -0.44 4.79 2.96 -0.98 -4.63 118.68 117.52 2krt s LEU 84 Ca 0.32 0.64 -0.22 0.00 -0.22 0.00 0.00 54.13 54.65 2krt s LEU 84 Cb 0.06 1.26 0.03 0.00 0.50 0.00 0.00 46.19 48.04 2krt s LEU 84 CO 0.14 -0.18 0.70 -0.54 -1.32 0.00 0.00 176.35 175.15 2krt s LYS 85 N -0.05 3.33 -0.20 1.98 1.02 -0.10 -2.41 119.74 123.32 2krt s LYS 85 Ca -0.02 -0.26 -0.17 0.00 0.02 0.00 0.00 55.97 55.54 2krt s LYS 85 Cb -0.03 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.30 2krt s LYS 85 CO 0.01 -1.06 0.43 -0.51 -0.92 0.00 0.00 175.35 173.30 2krt s LEU 86 N 3.02 4.15 -0.39 3.17 1.02 0.25 -2.02 118.68 127.89 2krt s LEU 86 Ca 0.26 0.56 -0.16 0.00 0.02 0.00 0.00 54.13 54.80 2krt s LEU 86 Cb -0.13 -2.56 0.01 0.00 0.02 0.00 0.00 46.19 43.52 2krt s LEU 86 CO 0.21 -0.10 0.38 -0.94 0.02 0.00 0.00 176.35 175.91 2krt s SER 87 N 1.08 6.16 -0.08 2.29 1.04 -0.94 -0.23 113.70 123.02 2krt s SER 87 Ca 0.20 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 56.04 2krt s SER 87 Cb -0.15 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.75 2krt s SER 87 CO 0.08 -0.47 -0.12 -0.76 0.98 0.00 0.00 173.24 172.96 2krt s LEU 88 N 1.98 2.87 -0.47 2.42 1.02 -0.81 -0.39 118.68 125.30 2krt s LEU 88 Ca 0.10 -0.17 -0.17 0.00 0.02 0.00 0.00 54.13 53.91 2krt s LEU 88 Cb -0.17 -1.61 0.06 0.00 0.02 0.00 0.00 46.19 44.48 2krt s LEU 88 CO 0.12 0.30 0.45 0.00 0.02 0.00 0.00 176.35 177.24 2krt s MET 89 N -0.47 3.03 -0.49 1.70 0.23 -0.18 -1.80 119.30 121.31 2krt s MET 89 Ca 0.06 -1.14 -0.24 0.00 -1.03 0.00 0.00 55.69 53.34 2krt s MET 89 Cb -0.12 -4.09 0.03 0.00 -1.53 0.00 0.00 34.83 29.12 2krt s MET 89 CO 0.02 -1.03 0.88 -0.51 -2.03 0.00 0.00 175.02 172.35 2krt s LEU 90 N 1.95 4.15 -0.50 0.18 2.01 0.10 -3.03 118.68 123.54 2krt s LEU 90 Ca 0.08 -0.17 -0.25 0.00 0.01 0.00 0.00 54.13 53.80 2krt s LEU 90 Cb -0.22 -2.96 0.03 0.00 0.01 0.00 0.00 46.19 43.06 2krt s LEU 90 CO 0.09 -1.08 0.94 -0.89 1.01 0.00 0.00 176.35 176.42 2krt s THR 91 N 3.66 4.43 -0.33 5.49 2.01 -0.32 -0.40 115.64 130.18 2krt s THR 91 Ca 0.32 0.56 -0.28 0.00 0.31 0.00 0.00 61.69 62.60 2krt s THR 91 Cb -0.12 -4.48 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 2krt s THR 91 CO 0.22 -0.96 2.12 -0.62 -0.69 0.00 0.00 174.62 174.69 2krt s ASP 92 N 2.51 5.37 0.00 3.53 2.15 0.16 -1.61 116.67 128.77 2krt s ASP 92 Ca 0.34 1.48 0.08 0.00 0.43 0.00 0.00 52.55 54.88 2krt s ASP 92 Cb -0.11 -2.51 0.48 0.00 -0.30 0.00 0.00 42.92 40.47 2krt s ASP 92 CO 0.23 -2.09 1.15 0.29 -0.17 0.00 0.00 175.17 174.58 2krt n LYS 93 N 8.75 0.82 -0.06 4.34 4.76 -0.08 0.12 118.16 136.81 2krt n LYS 93 Ca 0.29 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.70 2krt n LYS 93 Cb 0.48 -1.15 -0.01 0.00 -1.84 0.00 0.00 35.03 32.51 2krt n LYS 93 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2krt h LYS 94 N 0.00 0.00 -0.09 1.97 1.57 -1.89 -3.41 116.57 114.72 2krt h LYS 94 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2krt h LYS 94 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2krt h LYS 94 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 2krt n ASN 95 N -4.62 2.73 -1.93 0.86 3.02 -1.20 -4.96 115.26 109.16 2krt n ASN 95 Ca -0.04 -1.83 -0.16 0.00 -0.03 0.00 0.00 54.58 52.52 2krt n ASN 95 Cb 0.15 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 1.12 -4.80 -4.93 6.41 5.03 0.12 -5.02 115.26 113.20 2krt n ASN 96 Ca 0.12 -0.07 -0.26 0.00 0.87 0.00 0.00 54.58 55.25 2krt n ASN 96 Cb 0.49 -3.85 0.04 0.00 -1.02 0.00 0.00 39.78 35.44 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 -4.94 2.80 -0.06 3.52 -1.52 -1.04 -4.82 119.66 113.60 2krt s GLN 97 Ca 0.06 -0.13 0.06 0.00 -1.95 0.00 0.00 55.36 53.39 2krt s GLN 97 Cb -0.03 -2.29 -0.01 0.00 -0.22 0.00 0.00 33.01 30.46 2krt s GLN 97 CO 0.07 -0.74 -0.23 0.54 -0.25 0.00 0.00 175.29 174.68 2krt s VAL 98 N -2.98 1.91 -0.03 1.09 0.11 -1.26 0.38 120.40 119.62 2krt s VAL 98 Ca 0.54 -0.98 0.05 0.00 -2.93 0.00 0.00 61.98 58.67 2krt s VAL 98 Cb -0.10 -1.63 -0.01 0.00 -1.53 0.00 0.00 36.38 33.11 2krt s VAL 98 CO 0.44 0.53 -0.20 -0.47 -3.33 0.00 0.00 175.10 172.08 2krt s TYR 99 N -0.08 1.85 -0.29 1.54 5.04 0.46 -4.96 117.35 120.92 2krt s TYR 99 Ca -0.05 -0.44 -0.10 0.00 -2.44 0.00 0.00 57.07 54.04 2krt s TYR 99 Cb -0.14 -1.21 -0.03 0.00 0.35 0.00 0.00 41.96 40.93 2krt s TYR 99 CO 0.04 -0.10 0.15 0.71 -1.34 0.00 0.00 175.55 175.01 2krt s TYR 100 N -0.25 3.17 -0.13 4.97 2.02 -1.26 0.02 117.35 125.90 2krt s TYR 100 Ca 0.02 -0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 2krt s TYR 100 Cb -0.10 -2.35 0.02 0.00 -0.40 0.00 0.00 41.96 39.14 2krt s TYR 100 CO 0.01 -0.30 -0.11 0.21 -1.57 0.00 0.00 175.55 173.79 2krt s LYS 101 N 1.68 1.88 -0.08 -0.62 2.47 -0.75 -5.02 119.74 119.31 2krt s LYS 101 Ca 0.06 -0.40 -0.27 0.00 -1.56 0.00 0.00 55.97 53.81 2krt s LYS 101 Cb -0.16 -1.80 -0.03 0.00 -1.46 0.00 0.00 37.83 34.38 2krt s LYS 101 CO 0.08 -0.23 0.86 -0.51 0.16 0.00 0.00 175.35 175.71 2krt s LEU 102 N 1.54 4.29 -0.22 5.43 2.01 -1.26 -1.92 118.68 128.55 2krt s LEU 102 Ca 0.04 1.38 0.02 0.00 0.01 0.00 0.00 54.13 55.57 2krt s LEU 102 Cb -0.13 -3.34 0.05 0.00 0.01 0.00 0.00 46.19 42.78 2krt s LEU 102 CO -0.08 -0.28 -0.12 -0.76 1.01 0.00 0.00 176.35 176.12 2krt s LEU 103 N 1.39 2.65 -0.41 1.79 1.43 0.68 -4.95 118.68 121.26 2krt s LEU 103 Ca 0.44 -1.03 -0.18 0.00 -1.03 0.00 0.00 54.13 52.33 2krt s LEU 103 Cb -0.18 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.68 2krt s LEU 103 CO 0.20 -0.14 0.46 -1.61 0.23 0.00 0.00 176.35 175.49 2krt s GLU 104 N 1.28 3.21 0.10 1.70 2.02 -1.26 -0.58 118.70 125.17 2krt s GLU 104 Ca -0.03 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.37 2krt s GLU 104 Cb -0.17 -3.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.09 2krt s GLU 104 CO -0.08 -0.82 0.10 0.14 0.02 0.00 0.00 175.26 174.62 2krt s VAL 105 N 2.24 4.55 0.21 2.63 -7.23 -1.01 -4.94 120.40 116.84 2krt s VAL 105 Ca 0.14 -0.82 0.10 0.00 -1.81 0.00 0.00 61.98 59.59 2krt s VAL 105 Cb -0.16 -3.22 -0.05 0.00 0.56 0.00 0.00 36.38 33.51 2krt s VAL 105 CO 0.14 0.08 -0.20 -0.94 -0.31 0.00 0.00 175.10 173.86 2krt s SER 106 N -2.54 3.17 0.00 4.85 1.04 -1.26 -2.33 113.70 116.62 2krt s SER 106 Ca 0.30 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2krt s SER 106 Cb -0.12 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.78 2krt s SER 106 CO 0.22 0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.08 2krt n GLY 107 N -0.00 0.92 0.00 7.32 0.00 -0.97 -5.03 105.19 107.43 2krt n GLY 107 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -3.16 1.61 3.72 -1.08 -4.76 117.46 113.79 2krt n PHE 108 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 2krt n PHE 108 Cb 0.00 -0.06 -0.01 0.00 -0.94 0.00 0.00 39.48 38.48 2krt n PHE 108 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2krt s LYS 109 N -1.00 0.56 -0.38 -1.08 2.47 -1.26 -4.79 119.74 114.26 2krt s LYS 109 Ca 0.00 0.73 -0.29 0.00 -1.56 0.00 0.00 55.97 54.85 2krt s LYS 109 Cb 0.00 0.36 0.02 0.00 -1.46 0.00 0.00 37.83 36.74 2krt s LYS 109 CO 0.00 -0.86 1.21 -1.54 0.16 0.00 0.00 175.35 174.32 2krt s SER 110 N 2.83 6.68 -0.60 1.43 1.04 -1.26 -4.20 113.70 119.62 2krt s SER 110 Ca 0.15 0.89 0.06 0.00 0.48 0.00 0.00 55.95 57.52 2krt s SER 110 Cb -0.12 -2.54 0.22 0.00 0.10 0.00 0.00 66.02 63.67 2krt s SER 110 CO -0.24 -1.13 0.60 0.59 0.98 0.00 0.00 173.24 174.04 2krt n ASN 111 N 7.68 2.63 0.24 7.02 5.03 0.54 -4.99 115.26 133.40 2krt n ASN 111 Ca 0.13 -3.17 -0.14 0.00 0.87 0.00 0.00 54.58 52.28 2krt n ASN 111 Cb 0.48 -0.68 -0.08 0.00 -1.02 0.00 0.00 39.78 38.48 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 4.66 -0.60 0.00 3.52 0.11 -1.78 -3.04 132.00 134.88 2krt h PRO 112 Ca 0.17 0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.28 2krt h PRO 112 Cb 0.74 0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 2krt h PRO 112 CO 0.70 -0.29 -1.03 0.10 -0.21 0.00 0.00 178.00 177.28 2krt h TYR 113 N -0.92 0.00 0.00 0.65 -0.00 -1.94 -3.35 116.97 111.42 2krt h TYR 113 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.67 2krt h TYR 113 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.31 2krt h TYR 113 CO 0.01 0.14 0.00 1.28 -0.00 0.00 0.00 178.16 179.59 2krt n LEU 114 N -2.76 0.49 -0.00 0.10 4.77 -1.25 -2.64 117.00 115.71 2krt n LEU 114 Ca -0.02 0.59 -0.05 0.00 -0.03 0.00 0.00 56.01 56.50 2krt n LEU 114 Cb 0.62 -0.48 0.16 0.00 -2.33 0.00 0.00 43.42 41.39 2krt n LEU 114 CO 0.40 -0.32 0.69 1.05 -1.33 0.00 0.00 177.39 177.89 2krt h GLU 115 N 0.00 0.53 0.00 3.23 4.11 -1.66 -3.30 114.58 117.49 2krt h GLU 115 Ca 0.00 -0.22 -0.02 0.00 0.07 0.00 0.00 59.36 59.19 2krt h GLU 115 Cb 0.47 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2krt h GLU 115 CO 0.00 0.77 -0.27 0.45 0.07 0.00 0.00 179.01 180.03 2krt h HIS 116 N 0.46 0.00 -1.14 2.06 3.86 -1.75 -3.40 115.15 115.24 2krt h HIS 116 Ca 0.06 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.72 2krt h HIS 116 Cb 0.74 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.12 2krt h HIS 116 CO 0.03 0.32 1.35 -1.01 0.86 0.00 0.00 177.93 179.48 2krt s HIS 117 N -1.94 2.39 -0.79 2.45 3.76 -1.09 -4.92 115.29 115.16 2krt s HIS 117 Ca -0.10 -0.55 -0.24 0.00 -0.15 0.00 0.00 55.06 54.01 2krt s HIS 117 Cb 0.01 -4.59 -0.19 0.00 1.11 0.00 0.00 32.58 28.92 2krt s HIS 117 CO 0.23 -1.92 1.89 0.72 -0.85 0.00 0.00 174.74 174.81 2krt n HIS 118 N 9.74 1.67 -3.38 1.40 -0.00 0.30 -3.90 115.22 121.05 2krt n HIS 118 Ca 0.32 -1.26 -0.14 0.00 -0.00 0.00 0.00 57.72 56.64 2krt n HIS 118 Cb 0.50 -1.92 0.01 0.00 -0.00 0.00 0.00 29.99 28.59 2krt n HIS 118 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2krt n HIS 119 N 11.41 -2.50 0.00 4.41 -0.00 -1.26 -2.14 115.22 125.15 2krt n HIS 119 Ca 0.47 0.91 0.00 0.00 0.46 0.00 0.00 57.72 59.55 2krt n HIS 119 Cb 0.43 -3.64 0.00 0.00 -0.12 0.00 0.00 29.99 26.66 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 -2.58 0.00 0.98 1.57 -0.00 -1.25 -5.25 115.22 108.69 2krt n HIS 120 Ca -0.11 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.69 2krt n HIS 120 Cb 0.58 0.00 0.47 0.00 -0.00 0.00 0.00 29.99 31.03 2krt n HIS 120 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92