#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 3.21 0.11 3.17 1.98 -1.26 -5.00 118.68 120.89 2krt s LEU 2 Ca 0.00 -0.31 0.02 0.00 -2.89 0.00 0.00 54.13 50.96 2krt s LEU 2 Cb 0.00 -2.63 -0.04 0.00 0.66 0.00 0.00 46.19 44.18 2krt s LEU 2 CO 0.00 -1.85 0.19 -0.44 -1.89 0.00 0.00 176.35 172.36 2krt s SER 3 N 4.06 5.99 -0.14 3.68 0.01 -1.26 -5.12 113.70 120.92 2krt s SER 3 Ca 0.39 0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.68 2krt s SER 3 Cb -0.08 -1.73 0.06 0.00 0.21 0.00 0.00 66.02 64.48 2krt s SER 3 CO 0.17 0.11 0.32 0.00 0.41 0.00 0.00 173.24 174.25 2krt s GLN 4 N -2.83 0.26 0.36 12.44 -2.07 -1.26 -5.06 119.66 121.50 2krt s GLN 4 Ca 0.33 0.73 0.03 0.00 -1.82 0.00 0.00 55.36 54.63 2krt s GLN 4 Cb -0.12 -0.01 -0.04 0.00 -1.09 0.00 0.00 33.01 31.76 2krt s GLN 4 CO 0.26 -0.21 0.12 0.00 -1.32 0.00 0.00 175.29 174.14 2krt s ALA 5 N 1.80 2.52 0.47 2.60 0.00 -1.26 -5.00 121.76 122.89 2krt s ALA 5 Ca -0.06 -1.58 0.13 0.00 0.00 0.00 0.00 51.96 50.45 2krt s ALA 5 Cb -0.11 0.83 1.10 0.00 0.00 0.00 0.00 23.12 24.94 2krt s ALA 5 CO -0.10 -0.37 2.10 -0.91 0.00 0.00 0.00 175.76 176.47 2krt h ASN 6 N 1.99 0.21 0.31 0.00 -0.26 -2.01 -0.65 115.58 115.17 2krt h ASN 6 Ca -0.36 -0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.24 2krt h ASN 6 Cb 1.26 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 38.46 2krt h ASN 6 CO 0.59 0.15 -0.55 1.05 -1.06 0.00 0.00 177.43 177.61 2krt h GLU 7 N 0.25 0.25 -0.68 0.81 4.11 -1.98 -1.56 114.58 115.78 2krt h GLU 7 Ca 0.09 -0.16 -0.05 0.00 0.07 0.00 0.00 59.36 59.31 2krt h GLU 7 Cb 0.05 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2krt h GLU 7 CO -0.02 0.74 0.24 -0.44 0.07 0.00 0.00 179.01 179.60 2krt h ASP 8 N 0.20 0.95 -0.20 3.06 5.19 -1.52 0.14 116.42 124.25 2krt h ASP 8 Ca 0.00 -0.15 -0.05 0.00 -0.62 0.00 0.00 57.03 56.21 2krt h ASP 8 Cb 1.03 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.28 2krt h ASP 8 CO 0.09 0.87 -0.09 -0.26 -3.12 0.00 0.00 179.24 176.73 2krt h PHE 9 N 1.00 0.46 -0.52 4.55 0.04 -1.30 -2.95 116.94 118.22 2krt h PHE 9 Ca 0.23 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 2krt h PHE 9 Cb 0.24 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 2krt h PHE 9 CO 0.02 0.69 0.25 1.57 -0.60 0.00 0.00 178.31 180.24 2krt h LYS 10 N 0.10 0.72 -0.34 1.51 2.10 -1.11 -2.73 116.57 116.84 2krt h LYS 10 Ca 0.04 -0.09 0.06 0.00 -2.00 0.00 0.00 60.65 58.67 2krt h LYS 10 Cb 0.57 -0.14 -0.05 0.00 -0.90 0.00 0.00 32.23 31.70 2krt h LYS 10 CO 0.03 0.57 -0.00 -0.22 -2.00 0.00 0.00 179.45 177.82 2krt h LYS 11 N 0.73 0.09 -0.73 0.07 3.11 -0.62 0.19 116.57 119.40 2krt h LYS 11 Ca 0.18 -0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.11 2krt h LYS 11 Cb 0.08 -0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.22 2krt h LYS 11 CO -0.02 0.06 0.37 0.82 -2.81 0.00 0.00 179.45 177.86 2krt h ILE 12 N 0.09 0.84 -0.36 2.00 2.04 -1.32 0.22 117.51 121.03 2krt h ILE 12 Ca 0.16 -0.21 -0.15 0.00 1.00 0.00 0.00 64.86 65.66 2krt h ILE 12 Cb 0.22 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2krt h ILE 12 CO -0.28 0.11 -0.39 0.58 0.00 0.00 0.00 178.15 178.18 2krt h VAL 13 N 0.62 1.28 -0.00 1.67 2.07 -1.29 -2.91 116.25 117.68 2krt h VAL 13 Ca 0.36 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2krt h VAL 13 Cb 0.39 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2krt h VAL 13 CO -0.28 0.52 -0.08 0.59 0.02 0.00 0.00 177.57 178.34 2krt n ASN 14 N -4.05 0.08 -1.31 0.57 3.02 -0.02 -3.25 115.26 110.31 2krt n ASN 14 Ca -0.02 0.35 0.11 0.00 -0.03 0.00 0.00 54.58 54.99 2krt n ASN 14 Cb 0.54 -0.37 0.31 0.00 -0.61 0.00 0.00 39.78 39.65 2krt n ASN 14 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2krt n ASN 15 N -1.48 3.93 -4.60 6.41 5.03 0.73 -4.94 115.26 120.33 2krt n ASN 15 Ca 0.07 -2.03 -0.43 0.00 0.87 0.00 0.00 54.58 53.07 2krt n ASN 15 Cb 0.33 -0.47 -0.03 0.00 -1.02 0.00 0.00 39.78 38.59 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 -1.06 3.28 -0.11 2.41 1.01 -1.15 -4.87 121.20 120.71 2krt s ILE 16 Ca 0.47 0.28 -0.00 0.00 0.00 0.00 0.00 60.65 61.39 2krt s ILE 16 Cb 0.25 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 2krt s ILE 16 CO 0.31 -0.26 -0.09 -0.60 0.00 0.00 0.00 174.94 174.30 2krt s ARG 17 N 6.07 3.19 0.00 2.79 6.06 -1.26 -4.98 118.95 130.82 2krt s ARG 17 Ca 0.88 -0.61 0.00 0.00 -2.50 0.00 0.00 55.73 53.50 2krt s ARG 17 Cb -0.26 -2.67 0.00 0.00 0.06 0.00 0.00 34.95 32.08 2krt s ARG 17 CO 0.33 0.39 0.56 1.47 -2.50 0.00 0.00 175.30 175.55 2krt n LEU 18 N 3.04 0.10 0.00 -0.88 -0.00 -1.26 -0.43 117.00 117.56 2krt n LEU 18 Ca -0.18 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 55.78 2krt n LEU 18 Cb 0.53 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 2krt n LEU 18 CO 0.30 0.02 -0.44 0.29 -0.00 0.00 0.00 177.39 177.56 2krt n LYS 19 N -0.39 0.00 -0.06 1.47 5.02 -1.24 -4.53 118.16 118.43 2krt n LYS 19 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 2krt n LYS 19 Cb 0.02 -0.63 -0.11 0.00 -0.02 0.00 0.00 35.03 34.29 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 -0.00 0.15 4.39 3.58 -1.94 -3.41 116.42 119.19 2krt h ASP 20 Ca 0.00 -0.86 -0.29 0.00 0.42 0.00 0.00 57.03 56.31 2krt h ASP 20 Cb 0.87 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.95 2krt h ASP 20 CO 0.00 0.91 -1.21 0.74 -2.88 0.00 0.00 179.24 176.80 2krt h THR 21 N -0.98 1.32 -2.48 2.25 2.02 -1.08 -3.44 112.91 110.52 2krt h THR 21 Ca -0.00 -2.51 -0.03 0.00 0.77 0.00 0.00 66.41 64.64 2krt h THR 21 Cb 0.86 2.86 -0.16 0.00 -1.74 0.00 0.00 68.15 69.97 2krt h THR 21 CO 0.00 0.75 0.22 0.72 0.37 0.00 0.00 175.52 177.58 2krt s PHE 22 N -2.81 -0.58 -0.33 3.16 -0.71 -1.17 -2.29 117.98 113.24 2krt s PHE 22 Ca -0.10 0.70 -0.07 0.00 -1.04 0.00 0.00 56.93 56.41 2krt s PHE 22 Cb 0.04 0.49 0.03 0.00 -1.21 0.00 0.00 43.02 42.37 2krt s PHE 22 CO 0.92 -0.72 0.12 -0.51 -1.34 0.00 0.00 175.22 173.69 2krt s ASP 23 N -1.99 5.35 -0.29 1.98 1.11 -0.35 -3.62 116.67 118.87 2krt s ASP 23 Ca -0.04 -1.00 -0.19 0.00 0.18 0.00 0.00 52.55 51.50 2krt s ASP 23 Cb -0.01 -1.90 -0.02 0.00 1.07 0.00 0.00 42.92 42.07 2krt s ASP 23 CO -0.02 -0.30 0.56 0.72 1.18 0.00 0.00 175.17 177.31 2krt s PHE 24 N 1.46 3.23 -0.13 4.23 -0.71 -1.26 -0.55 117.98 124.25 2krt s PHE 24 Ca 0.00 0.55 -0.05 0.00 -1.04 0.00 0.00 56.93 56.38 2krt s PHE 24 Cb -0.19 -2.85 -0.04 0.00 -1.21 0.00 0.00 43.02 38.73 2krt s PHE 24 CO 0.03 -0.40 0.06 0.21 -1.34 0.00 0.00 175.22 173.79 2krt s LYS 25 N 2.44 3.51 -0.10 1.99 2.20 0.07 -4.86 119.74 124.99 2krt s LYS 25 Ca 0.22 -0.31 -0.20 0.00 -0.36 0.00 0.00 55.97 55.32 2krt s LYS 25 Cb -0.15 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 2krt s LYS 25 CO 0.11 0.54 0.55 -0.51 -0.36 0.00 0.00 175.35 175.68 2krt s LEU 26 N -0.40 4.29 0.37 5.43 2.01 -1.23 -0.29 118.68 128.86 2krt s LEU 26 Ca 0.09 0.94 0.10 0.00 0.01 0.00 0.00 54.13 55.27 2krt s LEU 26 Cb -0.12 -2.82 0.85 0.00 0.01 0.00 0.00 46.19 44.12 2krt s LEU 26 CO 0.02 -0.03 1.90 0.00 1.01 0.00 0.00 176.35 179.25 2krt h ALA 27 N 6.68 1.87 0.00 4.21 0.00 -1.44 0.15 119.26 130.72 2krt h ALA 27 Ca -0.41 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2krt h ALA 27 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2krt h ALA 27 CO 0.75 -0.07 -0.36 0.00 0.00 0.00 0.00 179.25 179.56 2krt n ALA 28 N -2.45 3.00 -3.30 0.00 0.00 -1.26 -4.50 120.51 111.99 2krt n ALA 28 Ca 0.15 -0.24 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 2krt n ALA 28 Cb 0.43 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 2krt n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2krt n PHE 29 N -1.69 -0.89 -0.12 0.00 3.72 0.01 -5.01 117.46 113.48 2krt n PHE 29 Ca 0.05 -3.30 -0.12 0.00 -0.05 0.00 0.00 57.45 54.03 2krt n PHE 29 Cb 0.37 0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 2krt n PHE 29 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2krt h PRO 30 N 5.08 0.73 -0.01 -1.08 0.11 -1.71 -3.25 132.00 131.87 2krt h PRO 30 Ca 0.20 -0.32 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2krt h PRO 30 Cb 0.91 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2krt h PRO 30 CO 0.39 0.93 -0.57 0.09 -0.21 0.00 0.00 178.00 178.63 2krt n ASN 31 N -4.31 1.71 -4.50 -2.05 3.02 -1.26 -4.81 115.26 103.07 2krt n ASN 31 Ca -0.02 -1.36 -0.43 0.00 -0.03 0.00 0.00 54.58 52.74 2krt n ASN 31 Cb 0.41 0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 40.13 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 -2.48 3.26 0.59 3.52 -1.52 -1.24 -5.04 119.66 116.75 2krt s GLN 32 Ca 0.15 -0.47 -0.14 0.00 -1.95 0.00 0.00 55.36 52.96 2krt s GLN 32 Cb 0.17 -4.08 -0.04 0.00 -0.22 0.00 0.00 33.01 28.84 2krt s GLN 32 CO 0.60 -1.43 1.03 1.21 -0.25 0.00 0.00 175.29 176.45 2krt s ASN 33 N 2.85 6.13 0.52 5.90 3.04 -1.26 -4.70 114.94 127.42 2krt s ASN 33 Ca 0.26 1.58 0.27 0.00 0.04 0.00 0.00 52.86 55.01 2krt s ASN 33 Cb -0.15 -2.50 1.40 0.00 -1.54 0.00 0.00 41.25 38.46 2krt s ASN 33 CO 0.17 -0.93 1.95 0.10 -3.04 0.00 0.00 177.10 175.34 2krt h TYR 34 N 0.18 0.05 0.00 0.43 -0.00 -1.89 0.18 116.97 115.92 2krt h TYR 34 Ca -0.45 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.23 2krt h TYR 34 Cb 1.20 -0.02 -0.01 0.00 0.00 0.00 0.00 36.73 37.90 2krt h TYR 34 CO 0.63 0.02 -0.23 -0.44 -0.00 0.00 0.00 178.16 178.14 2krt h ASP 35 N 0.04 0.00 0.00 0.10 3.32 -1.92 -3.18 116.42 114.78 2krt h ASP 35 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 2krt h ASP 35 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2krt h ASP 35 CO -0.02 0.23 -0.25 0.00 -1.72 0.00 0.00 179.24 177.48 2krt n GLN 36 N -3.89 5.31 -3.20 3.56 0.00 -0.38 -4.86 117.38 113.91 2krt n GLN 36 Ca -0.02 -0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.56 2krt n GLN 36 Cb 0.31 -0.72 -0.08 0.00 0.00 0.00 0.00 30.24 29.76 2krt n GLN 36 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2krt s LEU 37 N -2.26 4.46 0.54 2.61 1.98 0.50 -4.97 118.68 121.53 2krt s LEU 37 Ca 0.01 -0.20 -0.22 0.00 -2.89 0.00 0.00 54.13 50.84 2krt s LEU 37 Cb 0.03 -2.61 -0.05 0.00 0.66 0.00 0.00 46.19 44.22 2krt s LEU 37 CO 0.18 -0.59 1.34 -0.76 -1.89 0.00 0.00 176.35 174.63 2krt s LEU 38 N 2.50 3.86 0.46 -0.68 1.43 -1.26 -4.74 118.68 120.26 2krt s LEU 38 Ca 0.19 2.73 0.12 0.00 -1.03 0.00 0.00 54.13 56.14 2krt s LEU 38 Cb -0.15 -4.27 1.06 0.00 0.03 0.00 0.00 46.19 42.86 2krt s LEU 38 CO 0.15 -1.52 2.09 1.55 0.23 0.00 0.00 176.35 178.86 2krt h PRO 39 N 1.51 0.25 -0.57 1.29 0.13 -1.93 -0.82 132.00 131.85 2krt h PRO 39 Ca -0.51 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.66 2krt h PRO 39 Cb 1.30 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2krt h PRO 39 CO 0.57 0.18 0.38 0.77 -0.23 0.00 0.00 178.00 179.67 2krt h SER 40 N 0.25 0.51 -0.00 1.44 0.02 -1.99 0.15 113.55 113.94 2krt h SER 40 Ca 0.07 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2krt h SER 40 Cb 0.00 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2krt h SER 40 CO -0.01 0.34 -0.10 1.56 -1.14 0.00 0.00 176.83 177.48 2krt h GLN 41 N 0.59 0.07 -0.79 3.45 1.08 -1.54 -3.32 115.11 114.65 2krt h GLN 41 Ca 0.24 -0.07 0.13 0.00 -1.45 0.00 0.00 58.65 57.50 2krt h GLN 41 Cb 0.21 0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.57 2krt h GLN 41 CO -0.07 0.83 0.38 0.82 -0.95 0.00 0.00 178.83 179.85 2krt h ILE 42 N -0.66 0.74 -0.56 2.54 2.04 -0.90 -1.36 117.51 119.34 2krt h ILE 42 Ca -0.01 -0.20 0.11 0.00 1.00 0.00 0.00 64.86 65.76 2krt h ILE 42 Cb 0.87 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2krt h ILE 42 CO 0.02 0.10 0.38 0.22 0.00 0.00 0.00 178.15 178.88 2krt h TYR 43 N 0.57 0.31 -0.00 1.37 3.20 -0.81 -0.68 116.97 120.93 2krt h TYR 43 Ca 0.42 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.30 2krt h TYR 43 Cb 0.58 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.75 2krt h TYR 43 CO -0.11 0.14 -0.21 1.63 -1.64 0.00 0.00 178.16 177.97 2krt n LYS 44 N -4.45 0.50 0.07 1.82 5.02 -0.52 -4.14 118.16 116.45 2krt n LYS 44 Ca 0.09 -0.22 0.08 0.00 -2.02 0.00 0.00 58.31 56.24 2krt n LYS 44 Cb 0.43 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 2krt n LYS 44 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2krt n ASN 45 N -1.06 0.75 0.23 4.39 3.02 -0.26 -4.14 115.26 118.19 2krt n ASN 45 Ca 0.11 0.30 0.07 0.00 -0.03 0.00 0.00 54.58 55.03 2krt n ASN 45 Cb 0.31 0.54 0.58 0.00 -0.61 0.00 0.00 39.78 40.61 2krt n ASN 45 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2krt h TYR 46 N 0.00 0.03 -0.12 3.10 -0.00 -1.72 0.95 116.97 119.21 2krt h TYR 46 Ca -0.06 -0.00 -0.19 0.00 -0.00 0.00 0.00 58.73 58.49 2krt h TYR 46 Cb 1.19 -0.01 -0.00 0.00 -0.00 0.00 0.00 36.73 37.90 2krt h TYR 46 CO 0.00 0.08 -0.70 -0.92 -0.00 0.00 0.00 178.16 176.62 2krt h TYR 47 N 0.04 0.70 0.11 0.10 3.20 -1.86 -3.31 116.97 115.94 2krt h TYR 47 Ca 0.01 -0.29 -0.28 0.00 3.14 0.00 0.00 58.73 61.31 2krt h TYR 47 Cb 0.10 -0.11 0.02 0.00 1.54 0.00 0.00 36.73 38.27 2krt h TYR 47 CO 0.00 1.06 -1.20 1.96 -1.64 0.00 0.00 178.16 178.34 2krt h GLN 48 N 0.37 0.47 0.00 1.82 1.08 -1.42 -3.49 115.11 113.94 2krt h GLN 48 Ca -0.03 -0.65 0.00 0.00 -1.45 0.00 0.00 58.65 56.53 2krt h GLN 48 Cb 1.28 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.93 2krt h GLN 48 CO 0.13 1.28 0.00 0.41 -0.95 0.00 0.00 178.83 179.69 2krt n GLY 49 N 1.35 4.25 3.22 3.46 0.00 0.21 -4.90 105.19 112.77 2krt n GLY 49 Ca -0.11 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.17 2.34 -0.45 -0.61 1.01 -1.26 -1.18 121.20 120.88 2krt s ILE 50 Ca 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 2krt s ILE 50 Cb 0.00 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.54 2krt s ILE 50 CO 0.00 0.53 0.51 -1.61 0.00 0.00 0.00 174.94 174.37 2krt s GLU 51 N 0.80 3.12 -0.61 2.79 0.41 0.60 -4.92 118.70 120.89 2krt s GLU 51 Ca -0.07 -0.78 -0.23 0.00 -0.41 0.00 0.00 54.97 53.48 2krt s GLU 51 Cb -0.15 -4.01 0.06 0.00 -1.78 0.00 0.00 34.13 28.24 2krt s GLU 51 CO -0.01 -0.97 0.95 0.42 -0.49 0.00 0.00 175.26 175.16 2krt s ILE 52 N 2.30 4.35 -0.54 -1.63 -1.09 -1.26 -0.75 121.20 122.58 2krt s ILE 52 Ca 0.14 -0.05 -0.25 0.00 -2.23 0.00 0.00 60.65 58.25 2krt s ILE 52 Cb -0.18 -4.61 0.04 0.00 -1.58 0.00 0.00 42.46 36.13 2krt s ILE 52 CO 0.13 -1.30 1.00 -1.58 -1.23 0.00 0.00 174.94 171.97 2krt s GLN 53 N 4.02 3.42 -0.03 2.79 -0.44 0.29 -4.95 119.66 124.75 2krt s GLN 53 Ca 0.26 -0.04 -0.30 0.00 -2.50 0.00 0.00 55.36 52.78 2krt s GLN 53 Cb -0.15 -4.02 -0.05 0.00 -1.64 0.00 0.00 33.01 27.15 2krt s GLN 53 CO 0.14 -1.48 1.50 1.14 0.50 0.00 0.00 175.29 177.10 2krt s GLN 54 N 4.16 4.23 0.00 1.67 -2.07 -1.26 -1.21 119.66 125.18 2krt s GLN 54 Ca 0.35 2.05 0.02 0.00 -1.82 0.00 0.00 55.36 55.96 2krt s GLN 54 Cb -0.11 -3.75 0.02 0.00 -1.09 0.00 0.00 33.01 28.08 2krt s GLN 54 CO 0.22 -0.71 0.64 1.58 -1.32 0.00 0.00 175.29 175.70 2krt n HIS 55 N 6.22 0.01 -4.01 9.60 -0.00 -0.97 -4.95 115.22 121.13 2krt n HIS 55 Ca 0.15 -0.08 -0.00 0.00 0.46 0.00 0.00 57.72 58.25 2krt n HIS 55 Cb 0.43 -0.01 -0.00 0.00 -0.12 0.00 0.00 29.99 30.29 2krt n HIS 55 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2krt n LYS 56 N 0.05 0.04 -1.57 1.57 5.02 -1.01 -4.88 118.16 117.37 2krt n LYS 56 Ca 0.01 -0.06 -0.46 0.00 -2.02 0.00 0.00 58.31 55.78 2krt n LYS 56 Cb 0.09 0.05 -0.04 0.00 -0.02 0.00 0.00 35.03 35.10 2krt n LYS 56 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2krt n TYR 57 N -0.01 1.96 -0.94 2.13 4.02 -1.26 -4.84 117.16 118.21 2krt n TYR 57 Ca 0.00 -0.02 0.09 0.00 -0.01 0.00 0.00 57.90 57.96 2krt n TYR 57 Cb 0.01 -2.67 0.21 0.00 -0.02 0.00 0.00 39.34 36.87 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 8.22 2.44 -0.08 -0.72 1.13 -1.26 -4.34 117.38 122.76 2krt n GLN 58 Ca 0.31 -2.69 -0.23 0.00 -1.94 0.00 0.00 57.00 52.46 2krt n GLN 58 Cb 0.36 -1.69 -0.12 0.00 0.11 0.00 0.00 30.24 28.90 2krt n GLN 58 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2krt n ASN 59 N -0.73 1.94 -0.05 1.08 4.05 -1.26 -4.52 115.26 115.78 2krt n ASN 59 Ca 0.19 0.34 -0.14 0.00 0.45 0.00 0.00 54.58 55.41 2krt n ASN 59 Cb 0.78 -0.90 -0.07 0.00 1.23 0.00 0.00 39.78 40.82 2krt n ASN 59 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 2krt h GLU 60 N -0.71 0.53 -5.97 1.20 4.39 -1.98 -3.38 114.58 108.67 2krt h GLU 60 Ca -0.43 -0.35 -0.58 0.00 0.34 0.00 0.00 59.36 58.34 2krt h GLU 60 Cb 1.55 0.05 -0.28 0.00 -0.10 0.00 0.00 28.75 29.97 2krt h GLU 60 CO -0.17 0.96 -0.84 -0.48 -1.16 0.00 0.00 179.01 177.32 2krt s LEU 61 N -8.82 2.10 -0.32 1.33 2.34 -1.26 -4.44 118.68 109.61 2krt s LEU 61 Ca -0.13 -0.43 -0.06 0.00 0.06 0.00 0.00 54.13 53.57 2krt s LEU 61 Cb 0.06 -0.98 0.03 0.00 -0.56 0.00 0.00 46.19 44.74 2krt s LEU 61 CO 0.81 0.20 0.09 -0.62 -1.06 0.00 0.00 176.35 175.77 2krt s ASP 62 N -0.81 5.22 -0.55 1.48 2.15 -1.26 -4.28 116.67 118.62 2krt s ASP 62 Ca 0.07 -1.04 -0.19 0.00 0.43 0.00 0.00 52.55 51.83 2krt s ASP 62 Cb -0.08 -1.86 0.08 0.00 -0.30 0.00 0.00 42.92 40.76 2krt s ASP 62 CO 0.00 -0.29 0.67 -0.63 -0.17 0.00 0.00 175.17 174.76 2krt s ILE 63 N 1.42 4.85 0.12 4.11 1.01 -1.26 -3.46 121.20 127.99 2krt s ILE 63 Ca -0.01 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 59.94 2krt s ILE 63 Cb -0.19 -4.41 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 2krt s ILE 63 CO 0.02 -0.99 -0.18 -0.54 0.00 0.00 0.00 174.94 173.25 2krt s LYS 64 N 2.66 1.14 -0.15 2.79 -0.14 -1.21 -4.92 119.74 119.91 2krt s LYS 64 Ca 0.13 -1.24 -0.05 0.00 -1.36 0.00 0.00 55.97 53.45 2krt s LYS 64 Cb -0.22 -1.25 -0.04 0.00 -1.68 0.00 0.00 37.83 34.64 2krt s LYS 64 CO 0.09 0.27 0.03 0.42 -0.76 0.00 0.00 175.35 175.40 2krt s ILE 65 N -1.62 4.55 0.00 2.17 1.01 -1.26 -0.39 121.20 125.65 2krt s ILE 65 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.61 2krt s ILE 65 Cb -0.08 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.39 2krt s ILE 65 CO 0.05 0.52 0.00 -0.38 0.00 0.00 0.00 174.94 175.12 2krt n ILE 66 N 3.07 0.00 -3.93 2.92 5.41 0.08 -4.92 119.36 121.99 2krt n ILE 66 Ca -0.17 0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.98 2krt n ILE 66 Cb 0.53 -1.50 -0.07 0.00 -0.71 0.00 0.00 39.64 37.89 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 -3.82 0.07 -0.07 4.38 2.47 -1.25 -4.94 114.94 111.77 2krt s ASN 67 Ca 0.00 -0.81 0.05 0.00 0.42 0.00 0.00 52.86 52.52 2krt s ASN 67 Cb 0.00 0.40 -0.01 0.00 -1.45 0.00 0.00 41.25 40.19 2krt s ASN 67 CO 0.00 -0.84 -0.22 -0.36 -3.72 0.00 0.00 177.10 171.97 2krt s PHE 68 N -3.94 2.55 0.10 0.43 0.08 -1.26 -2.81 117.98 113.13 2krt s PHE 68 Ca 0.13 -0.68 -0.03 0.00 0.12 0.00 0.00 56.93 56.48 2krt s PHE 68 Cb 0.04 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 2krt s PHE 68 CO -0.03 -0.19 0.08 -0.48 -0.10 0.00 0.00 175.22 174.49 2krt s LEU 69 N -0.10 1.88 0.03 -0.37 2.34 -1.15 -5.04 118.68 116.29 2krt s LEU 69 Ca -0.05 -0.98 -0.27 0.00 0.06 0.00 0.00 54.13 52.90 2krt s LEU 69 Cb -0.14 0.51 -0.05 0.00 -0.56 0.00 0.00 46.19 45.95 2krt s LEU 69 CO 0.04 -0.70 0.84 -0.31 -1.06 0.00 0.00 176.35 175.17 2krt s TYR 70 N -3.95 3.71 0.17 3.48 2.02 -1.26 -1.62 117.35 119.90 2krt s TYR 70 Ca 0.13 1.56 -0.24 0.00 -0.37 0.00 0.00 57.07 58.15 2krt s TYR 70 Cb 0.07 -2.93 0.06 0.00 -0.40 0.00 0.00 41.96 38.75 2krt s TYR 70 CO -0.05 0.17 1.58 -1.35 -1.57 0.00 0.00 175.55 174.33 2krt h PRO 71 N 6.04 -0.23 -0.01 -1.71 0.11 -1.89 -0.84 132.00 133.46 2krt h PRO 71 Ca -0.43 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2krt h PRO 71 Cb 1.21 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2krt h PRO 71 CO 0.73 -0.15 -0.17 -0.25 -0.21 0.00 0.00 178.00 177.94 2krt n ASP 72 N -5.42 1.40 0.00 -2.05 9.92 -1.26 -4.94 116.55 114.20 2krt n ASP 72 Ca 0.02 -1.22 0.00 0.00 -0.53 0.00 0.00 54.79 53.05 2krt n ASP 72 Cb 0.35 0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 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 1.29 1.46 3.67 0.44 0.00 -0.32 -4.98 105.19 106.76 2krt n GLY 73 Ca 0.14 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 6.66 0.37 1.61 1.11 -1.26 -4.82 116.67 120.34 2krt s ASP 74 Ca 0.00 2.33 0.09 0.00 0.18 0.00 0.00 52.55 55.15 2krt s ASP 74 Cb 0.00 -2.55 0.74 0.00 1.07 0.00 0.00 42.92 42.18 2krt s ASP 74 CO 0.00 -0.89 1.89 2.19 1.18 0.00 0.00 175.17 179.54 2krt h PHE 75 N 8.90 0.26 -0.43 4.23 -0.00 -1.97 -2.39 116.94 125.54 2krt h PHE 75 Ca -0.41 -0.03 0.02 0.00 -0.00 0.00 0.00 57.97 57.55 2krt h PHE 75 Cb 1.19 -0.07 -0.03 0.00 -0.00 0.00 0.00 35.95 37.04 2krt h PHE 75 CO 0.83 0.40 0.26 0.78 -0.00 0.00 0.00 178.31 180.58 2krt h GLY 76 N 0.80 0.61 1.04 6.09 0.00 -2.00 -0.76 103.07 108.84 2krt h GLY 76 Ca 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 2krt h GLY 76 CO 0.03 0.17 0.42 1.76 0.00 0.00 0.00 176.54 178.92 2krt h SER 77 N 0.52 1.11 0.22 0.19 0.02 -1.90 -2.02 113.55 111.70 2krt h SER 77 Ca 0.17 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2krt h SER 77 Cb 0.00 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.26 2krt h SER 77 CO -0.08 0.92 -0.12 0.00 -1.14 0.00 0.00 176.83 176.42 2krt h ALA 78 N 1.23 -0.31 -0.78 3.77 0.00 -0.93 -0.74 119.26 121.50 2krt h ALA 78 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2krt h ALA 78 Cb 0.10 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2krt h ALA 78 CO -0.04 -0.68 0.49 -0.91 0.00 0.00 0.00 179.25 178.11 2krt h ASN 79 N -0.32 0.92 0.68 0.00 4.21 -1.08 0.32 115.58 120.31 2krt h ASN 79 Ca -0.03 -0.05 -0.17 0.00 1.21 0.00 0.00 56.30 57.27 2krt h ASN 79 Cb 0.25 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.20 2krt h ASN 79 CO 0.04 0.70 -0.77 0.07 -1.29 0.00 0.00 177.43 176.18 2krt h LYS 80 N 1.06 0.06 0.00 0.81 2.10 -1.25 -0.74 116.57 118.62 2krt h LYS 80 Ca 0.28 -0.06 -0.14 0.00 -2.00 0.00 0.00 60.65 58.73 2krt h LYS 80 Cb -0.07 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.25 2krt h LYS 80 CO -0.06 0.80 -1.40 0.09 -2.00 0.00 0.00 179.45 176.89 2krt n ASN 81 N -3.66 0.79 -0.84 7.07 3.02 -0.29 -3.57 115.26 117.77 2krt n ASN 81 Ca -0.02 0.34 -0.10 0.00 -0.03 0.00 0.00 54.58 54.77 2krt n ASN 81 Cb 0.74 0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 40.20 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 1.36 0.91 3.73 7.41 0.00 0.11 -4.80 105.19 113.91 2krt n GLY 82 Ca -0.09 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.40 4.13 0.02 2.61 -4.23 -1.20 -2.08 115.64 112.50 2krt s THR 83 Ca 0.00 -1.15 0.02 0.00 -1.18 0.00 0.00 61.69 59.38 2krt s THR 83 Cb 0.00 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 2krt s THR 83 CO 0.00 -0.04 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.74 2krt s LEU 84 N -2.83 2.15 -0.45 4.79 2.96 -1.06 -4.64 118.68 119.60 2krt s LEU 84 Ca 0.29 -0.36 -0.21 0.00 -0.22 0.00 0.00 54.13 53.62 2krt s LEU 84 Cb -0.10 -0.27 0.03 0.00 0.50 0.00 0.00 46.19 46.34 2krt s LEU 84 CO 0.21 -0.06 0.69 -0.54 -1.32 0.00 0.00 176.35 175.32 2krt s LYS 85 N -0.95 3.30 -0.30 1.98 -0.14 -0.64 -3.27 119.74 119.73 2krt s LYS 85 Ca -0.04 -0.34 -0.20 0.00 -1.36 0.00 0.00 55.97 54.04 2krt s LYS 85 Cb -0.07 -3.96 -0.01 0.00 -1.68 0.00 0.00 37.83 32.11 2krt s LYS 85 CO 0.00 -1.07 0.61 -0.51 -0.76 0.00 0.00 175.35 173.62 2krt s LEU 86 N 2.97 4.14 -0.55 3.17 2.01 0.75 -2.91 118.68 128.26 2krt s LEU 86 Ca 0.24 0.44 -0.20 0.00 0.01 0.00 0.00 54.13 54.62 2krt s LEU 86 Cb -0.14 -2.78 0.07 0.00 0.01 0.00 0.00 46.19 43.34 2krt s LEU 86 CO 0.19 -0.44 0.73 -0.55 1.01 0.00 0.00 176.35 177.29 2krt s SER 87 N 1.62 6.23 -0.12 2.29 0.15 -1.12 -0.95 113.70 121.80 2krt s SER 87 Ca 0.24 -0.94 -0.06 0.00 0.70 0.00 0.00 55.95 55.89 2krt s SER 87 Cb -0.15 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 2krt s SER 87 CO 0.11 -1.05 0.12 -0.76 1.20 0.00 0.00 173.24 172.87 2krt s LEU 88 N 3.00 4.29 -0.44 3.45 1.02 -0.16 -0.74 118.68 129.10 2krt s LEU 88 Ca 0.17 0.43 -0.11 0.00 0.02 0.00 0.00 54.13 54.64 2krt s LEU 88 Cb -0.19 -2.04 0.08 0.00 0.02 0.00 0.00 46.19 44.06 2krt s LEU 88 CO 0.12 0.40 0.32 -0.32 0.02 0.00 0.00 176.35 176.89 2krt s MET 89 N -1.00 2.71 -0.69 1.70 -2.45 0.48 -1.13 119.30 118.92 2krt s MET 89 Ca 0.15 -1.47 -0.22 0.00 -1.25 0.00 0.00 55.69 52.90 2krt s MET 89 Cb -0.12 -3.92 0.08 0.00 1.25 0.00 0.00 34.83 32.12 2krt s MET 89 CO 0.04 -1.01 0.97 -0.51 1.05 0.00 0.00 175.02 175.55 2krt s LEU 90 N 1.49 4.52 -0.47 4.11 2.01 0.12 -3.30 118.68 127.16 2krt s LEU 90 Ca 0.04 -1.14 -0.19 0.00 0.01 0.00 0.00 54.13 52.84 2krt s LEU 90 Cb -0.24 -2.41 0.04 0.00 0.01 0.00 0.00 46.19 43.59 2krt s LEU 90 CO 0.03 -1.38 0.60 -0.89 1.01 0.00 0.00 176.35 175.72 2krt s THR 91 N 3.83 4.89 0.16 5.49 2.01 -1.22 -0.71 115.64 130.09 2krt s THR 91 Ca 0.23 -0.25 -0.31 0.00 0.31 0.00 0.00 61.69 61.67 2krt s THR 91 Cb -0.16 -4.22 -0.11 0.00 0.01 0.00 0.00 72.50 68.02 2krt s THR 91 CO 0.08 -0.67 1.77 -0.62 -0.69 0.00 0.00 174.62 174.49 2krt s ASP 92 N 2.28 6.42 0.13 3.53 -1.08 0.81 -4.00 116.67 124.76 2krt s ASP 92 Ca 0.17 2.79 0.25 0.00 -0.52 0.00 0.00 52.55 55.25 2krt s ASP 92 Cb -0.17 -2.58 0.55 0.00 -1.46 0.00 0.00 42.92 39.26 2krt s ASP 92 CO 0.15 -0.98 1.50 0.29 0.52 0.00 0.00 175.17 176.65 2krt n LYS 93 N 4.89 0.24 0.00 4.34 4.76 -1.26 -1.39 118.16 129.74 2krt n LYS 93 Ca 0.17 0.11 0.02 0.00 -2.87 0.00 0.00 58.31 55.74 2krt n LYS 93 Cb 0.37 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 2krt n LYS 93 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2krt n LYS 94 N -2.06 4.89 0.00 1.97 0.00 -1.26 -4.60 118.16 117.11 2krt n LYS 94 Ca 0.04 -0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2krt n LYS 94 Cb 0.42 -0.77 0.00 0.00 -0.00 0.00 0.00 35.03 34.68 2krt n LYS 94 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2krt n ASN 95 N -1.01 0.25 -3.88 -5.58 3.02 -1.25 -5.03 115.26 101.77 2krt n ASN 95 Ca 0.01 -0.60 -0.29 0.00 -0.03 0.00 0.00 54.58 53.67 2krt n ASN 95 Cb 0.08 0.61 0.03 0.00 -0.61 0.00 0.00 39.78 39.90 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 -0.61 -4.60 -4.91 6.41 3.02 -0.48 -4.99 115.26 109.09 2krt n ASN 96 Ca 0.00 -0.77 -0.26 0.00 -0.03 0.00 0.00 54.58 53.52 2krt n ASN 96 Cb 0.01 -3.96 -0.00 0.00 -0.61 0.00 0.00 39.78 35.21 2krt n ASN 96 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2krt s GLN 97 N -6.55 2.26 0.00 3.52 -1.52 -1.23 -4.89 119.66 111.25 2krt s GLN 97 Ca 0.61 -1.98 0.01 0.00 -1.95 0.00 0.00 55.36 52.04 2krt s GLN 97 Cb -0.30 -2.13 -0.01 0.00 -0.22 0.00 0.00 33.01 30.35 2krt s GLN 97 CO 0.82 -0.61 -0.02 0.54 -0.25 0.00 0.00 175.29 175.77 2krt s VAL 98 N -2.76 0.15 -0.00 1.09 0.11 -1.26 -0.14 120.40 117.59 2krt s VAL 98 Ca 0.36 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 2krt s VAL 98 Cb -0.02 -0.16 -0.00 0.00 -1.53 0.00 0.00 36.38 34.66 2krt s VAL 98 CO 0.22 -0.07 -0.03 -0.47 -3.33 0.00 0.00 175.10 171.42 2krt s TYR 99 N -0.32 0.31 -0.26 1.54 5.04 0.12 -4.99 117.35 118.78 2krt s TYR 99 Ca -0.02 -0.05 -0.06 0.00 -2.44 0.00 0.00 57.07 54.49 2krt s TYR 99 Cb -0.03 -0.21 -0.01 0.00 0.35 0.00 0.00 41.96 42.07 2krt s TYR 99 CO -0.00 -0.01 0.04 0.71 -1.34 0.00 0.00 175.55 174.95 2krt s TYR 100 N -0.01 3.08 -0.18 4.97 2.02 -1.26 0.13 117.35 126.10 2krt s TYR 100 Ca 0.01 -0.78 -0.04 0.00 -0.37 0.00 0.00 57.07 55.90 2krt s TYR 100 Cb -0.02 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.31 2krt s TYR 100 CO -0.00 -0.49 -0.04 0.21 -1.57 0.00 0.00 175.55 173.65 2krt s LYS 101 N 1.53 3.54 -0.36 -0.62 2.47 -0.28 -4.95 119.74 121.07 2krt s LYS 101 Ca 0.05 -0.57 -0.14 0.00 -1.56 0.00 0.00 55.97 53.75 2krt s LYS 101 Cb -0.16 -2.94 -0.01 0.00 -1.46 0.00 0.00 37.83 33.27 2krt s LYS 101 CO 0.01 0.07 0.27 -0.51 0.16 0.00 0.00 175.35 175.36 2krt s LEU 102 N 0.80 4.69 0.12 5.43 2.01 -1.26 -0.99 118.68 129.48 2krt s LEU 102 Ca -0.01 -0.55 0.00 0.00 0.01 0.00 0.00 54.13 53.58 2krt s LEU 102 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.85 2krt s LEU 102 CO 0.02 -0.31 0.28 -0.76 1.01 0.00 0.00 176.35 176.59 2krt s LEU 103 N 1.74 4.32 -0.21 1.79 1.43 -0.12 -4.90 118.68 122.73 2krt s LEU 103 Ca 0.06 0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2krt s LEU 103 Cb -0.18 -3.02 0.08 0.00 0.03 0.00 0.00 46.19 43.10 2krt s LEU 103 CO 0.11 0.08 0.13 -1.83 0.23 0.00 0.00 176.35 175.07 2krt s GLU 104 N -2.88 0.12 0.09 1.70 -1.05 -1.26 -0.17 118.70 115.24 2krt s GLU 104 Ca 0.36 -0.16 0.07 0.00 -0.15 0.00 0.00 54.97 55.09 2krt s GLU 104 Cb -0.12 -1.52 -0.03 0.00 -0.44 0.00 0.00 34.13 32.01 2krt s GLU 104 CO 0.28 -0.77 -0.19 0.14 0.95 0.00 0.00 175.26 175.66 2krt s VAL 105 N 2.16 1.54 0.06 1.83 -7.23 -1.20 -4.91 120.40 112.65 2krt s VAL 105 Ca 0.05 -1.43 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 2krt s VAL 105 Cb -0.16 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 2krt s VAL 105 CO -0.18 -0.07 0.13 -0.94 -0.31 0.00 0.00 175.10 173.73 2krt s SER 106 N -1.77 5.87 0.00 4.85 1.04 -1.26 -2.55 113.70 119.89 2krt s SER 106 Ca 0.04 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2krt s SER 106 Cb -0.10 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2krt s SER 106 CO 0.03 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.05 2krt n GLY 107 N 0.49 0.70 0.17 7.32 0.00 -0.88 -4.99 105.19 107.99 2krt n GLY 107 Ca -0.08 0.00 -0.05 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 0.29 -3.39 1.61 0.04 -1.84 -3.46 116.94 110.19 2krt h PHE 108 Ca 0.00 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 60.59 2krt h PHE 108 Cb 0.00 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.05 2krt h PHE 108 CO 0.00 0.77 0.08 0.21 -0.60 0.00 0.00 178.31 178.77 2krt s LYS 109 N -3.75 1.93 -0.34 1.51 2.47 -1.25 -4.71 119.74 115.58 2krt s LYS 109 Ca -0.04 -1.38 -0.02 0.00 -1.56 0.00 0.00 55.97 52.97 2krt s LYS 109 Cb 0.12 0.55 0.19 0.00 -1.46 0.00 0.00 37.83 37.23 2krt s LYS 109 CO 0.80 -0.86 0.86 -1.54 0.16 0.00 0.00 175.35 174.76 2krt s SER 110 N -3.07 -0.89 -0.45 1.43 1.04 -1.26 -4.01 113.70 106.49 2krt s SER 110 Ca 0.19 -0.29 0.07 0.00 0.48 0.00 0.00 55.95 56.39 2krt s SER 110 Cb -0.03 1.25 0.23 0.00 0.10 0.00 0.00 66.02 67.56 2krt s SER 110 CO 0.12 -0.12 0.51 0.59 0.98 0.00 0.00 173.24 175.32 2krt n ASN 111 N 4.35 0.68 0.00 7.02 4.13 -0.29 -4.96 115.26 126.19 2krt n ASN 111 Ca 0.08 -2.75 0.00 0.00 1.68 0.00 0.00 54.58 53.59 2krt n ASN 111 Cb 0.59 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 2krt n ASN 111 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2krt n PRO 112 N 1.72 0.00 0.18 3.52 -0.02 -1.23 -3.63 135.00 135.54 2krt n PRO 112 Ca 0.24 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 62.21 2krt n PRO 112 Cb 0.49 -1.07 0.18 0.00 -0.02 0.00 0.00 33.50 33.08 2krt n PRO 112 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2krt h TYR 113 N 0.00 0.00 0.00 6.00 -0.00 -1.95 -3.31 116.97 117.71 2krt h TYR 113 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 2krt h TYR 113 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.73 2krt h TYR 113 CO 0.07 0.00 -0.08 -0.07 -0.00 0.00 0.00 178.16 178.07 2krt h LEU 114 N 0.00 0.00 -9.04 0.10 3.38 -1.94 -3.42 115.31 104.39 2krt h LEU 114 Ca 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 2krt h LEU 114 Cb 0.95 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.56 2krt h LEU 114 CO 0.00 0.08 -0.61 -1.61 0.09 0.00 0.00 178.44 176.39 2krt s GLU 115 N -4.15 1.52 -0.69 1.13 2.02 -1.24 -4.86 118.70 112.43 2krt s GLU 115 Ca -0.03 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.13 2krt s GLU 115 Cb 0.13 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.82 2krt s GLU 115 CO 0.55 -0.25 0.00 0.72 0.02 0.00 0.00 175.26 176.31 2krt n HIS 116 N -0.57 0.00 -2.20 1.61 8.25 -1.26 -4.86 115.22 116.19 2krt n HIS 116 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 2krt n HIS 116 Cb 0.66 -2.23 -0.01 0.00 1.12 0.00 0.00 29.99 29.54 2krt n HIS 116 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2krt n HIS 117 N -2.25 3.97 -4.03 4.41 1.44 -1.26 -4.88 115.22 112.62 2krt n HIS 117 Ca -0.07 -2.67 -0.13 0.00 -2.01 0.00 0.00 57.72 52.84 2krt n HIS 117 Cb 0.49 -2.56 -0.14 0.00 0.12 0.00 0.00 29.99 27.91 2krt n HIS 117 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2krt s HIS 118 N 4.74 0.31 -1.20 -1.40 -3.43 -1.26 -4.85 115.29 108.20 2krt s HIS 118 Ca 0.54 -0.16 -0.04 0.00 -0.80 0.00 0.00 55.06 54.60 2krt s HIS 118 Cb 0.07 -0.20 0.00 0.00 -1.43 0.00 0.00 32.58 31.03 2krt s HIS 118 CO 0.04 -0.03 1.03 1.58 -2.00 0.00 0.00 174.74 175.35 2krt n HIS 119 N 2.66 -2.39 -2.51 0.38 -0.00 -1.26 -4.94 115.22 107.15 2krt n HIS 119 Ca -0.15 0.92 -0.42 0.00 -0.00 0.00 0.00 57.72 58.07 2krt n HIS 119 Cb 0.58 -4.86 -0.03 0.00 -0.00 0.00 0.00 29.99 25.69 2krt n HIS 119 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2krt s HIS 120 N -3.32 3.37 -2.63 1.57 2.46 -1.26 -5.30 115.29 110.19 2krt s HIS 120 Ca 0.27 1.36 0.21 0.00 0.47 0.00 0.00 55.06 57.37 2krt s HIS 120 Cb -0.12 -3.35 0.17 0.00 -0.13 0.00 0.00 32.58 29.15 2krt s HIS 120 CO 0.69 -0.98 1.17 1.58 -2.47 0.00 0.00 174.74 174.72