#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krt n LEU 2 N 0.00 -4.77 -4.85 -0.89 7.99 -1.26 -5.00 117.00 108.22 2krt n LEU 2 Ca 0.00 -0.78 -0.37 0.00 -0.01 0.00 0.00 56.01 54.85 2krt n LEU 2 Cb 0.00 -2.94 -0.06 0.00 -0.11 0.00 0.00 43.42 40.30 2krt n LEU 2 CO 0.00 0.17 -0.17 -0.94 -1.51 0.00 0.00 177.39 174.94 2krt s SER 3 N -3.39 6.36 -0.31 -1.43 1.04 -1.26 -5.07 113.70 109.64 2krt s SER 3 Ca 0.44 0.43 -0.03 0.00 0.48 0.00 0.00 55.95 57.28 2krt s SER 3 Cb -0.09 -2.08 0.11 0.00 0.10 0.00 0.00 66.02 64.06 2krt s SER 3 CO 0.78 0.36 0.15 -1.10 0.98 0.00 0.00 173.24 174.42 2krt s GLN 4 N -0.76 0.33 0.16 4.02 -0.21 -1.26 -4.99 119.66 116.95 2krt s GLN 4 Ca 0.14 -0.81 -0.04 0.00 0.02 0.00 0.00 55.36 54.66 2krt s GLN 4 Cb -0.12 -1.24 -0.03 0.00 1.00 0.00 0.00 33.01 32.62 2krt s GLN 4 CO 0.03 -1.08 0.18 0.00 -2.12 0.00 0.00 175.29 172.30 2krt s ALA 5 N 1.75 0.57 0.22 6.09 0.00 -1.26 -5.03 121.76 124.10 2krt s ALA 5 Ca 0.12 -1.29 -0.08 0.00 0.00 0.00 0.00 51.96 50.71 2krt s ALA 5 Cb -0.18 0.99 0.33 0.00 0.00 0.00 0.00 23.12 24.26 2krt s ALA 5 CO -0.24 -0.59 1.73 -0.91 0.00 0.00 0.00 175.76 175.74 2krt h ASN 6 N 2.67 0.16 -0.39 0.00 -0.26 -2.00 -0.45 115.58 115.30 2krt h ASN 6 Ca -0.33 0.10 -0.11 0.00 -0.56 0.00 0.00 56.30 55.40 2krt h ASN 6 Cb 1.22 0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 38.56 2krt h ASN 6 CO 0.52 0.08 -0.15 1.05 -1.06 0.00 0.00 177.43 177.88 2krt h GLU 7 N 0.36 0.86 -0.54 0.81 4.11 -2.00 -3.06 114.58 115.14 2krt h GLU 7 Ca 0.34 -0.32 -0.06 0.00 0.07 0.00 0.00 59.36 59.38 2krt h GLU 7 Cb 0.47 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2krt h GLU 7 CO -0.36 0.95 0.07 -0.44 0.07 0.00 0.00 179.01 179.30 2krt h ASP 8 N 0.77 0.82 -0.00 3.06 3.32 -1.53 0.29 116.42 123.15 2krt h ASP 8 Ca 0.12 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 2krt h ASP 8 Cb 0.67 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 2krt h ASP 8 CO 0.05 0.84 0.00 -0.26 -1.72 0.00 0.00 179.24 178.15 2krt h PHE 9 N 0.82 0.00 -0.34 4.55 0.04 -1.25 -1.74 116.94 119.02 2krt h PHE 9 Ca 0.17 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.86 2krt h PHE 9 Cb 0.39 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 2krt h PHE 9 CO 0.02 0.16 -0.10 1.57 -0.60 0.00 0.00 178.31 179.35 2krt h LYS 10 N -0.15 0.58 -0.48 1.51 2.10 -1.42 -3.01 116.57 115.69 2krt h LYS 10 Ca 0.00 -0.17 0.07 0.00 -2.00 0.00 0.00 60.65 58.55 2krt h LYS 10 Cb 0.15 -0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 31.36 2krt h LYS 10 CO -0.00 0.68 0.13 -0.22 -2.00 0.00 0.00 179.45 178.05 2krt h LYS 11 N 0.54 0.28 -0.86 0.07 3.64 -0.17 -0.67 116.57 119.39 2krt h LYS 11 Ca 0.10 -0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.62 2krt h LYS 11 Cb 0.50 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.16 2krt h LYS 11 CO 0.03 0.18 0.44 0.82 -2.27 0.00 0.00 179.45 178.65 2krt h ILE 12 N 0.29 0.70 -0.21 2.00 2.04 -1.18 0.41 117.51 121.55 2krt h ILE 12 Ca 0.24 -0.21 -0.18 0.00 1.00 0.00 0.00 64.86 65.71 2krt h ILE 12 Cb 0.29 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2krt h ILE 12 CO -0.28 0.11 -0.61 0.58 0.00 0.00 0.00 178.15 177.96 2krt h VAL 13 N 0.60 1.30 -0.00 1.67 2.07 -1.34 -2.96 116.25 117.58 2krt h VAL 13 Ca 0.48 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2krt h VAL 13 Cb 0.71 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2krt h VAL 13 CO -0.38 0.58 -0.05 0.59 0.02 0.00 0.00 177.57 178.33 2krt n ASN 14 N -3.96 0.25 -1.23 0.57 3.02 -0.36 -3.14 115.26 110.41 2krt n ASN 14 Ca -0.04 -0.54 0.12 0.00 -0.03 0.00 0.00 54.58 54.09 2krt n ASN 14 Cb 0.65 -0.13 0.26 0.00 -0.61 0.00 0.00 39.78 39.94 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 -1.04 3.64 -4.68 6.41 5.03 0.14 -4.98 115.26 119.78 2krt n ASN 15 Ca 0.16 -2.00 -0.42 0.00 0.87 0.00 0.00 54.58 53.19 2krt n ASN 15 Cb 0.24 -0.33 -0.03 0.00 -1.02 0.00 0.00 39.78 38.63 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 -1.33 3.18 -0.05 2.41 1.01 -1.19 -4.88 121.20 120.35 2krt s ILE 16 Ca 0.43 0.52 0.01 0.00 0.00 0.00 0.00 60.65 61.60 2krt s ILE 16 Cb 0.24 -3.33 0.02 0.00 0.01 0.00 0.00 42.46 39.40 2krt s ILE 16 CO 0.33 -0.02 -0.06 -0.60 0.00 0.00 0.00 174.94 174.59 2krt s ARG 17 N 3.11 0.98 0.66 2.79 6.06 -1.26 -4.97 118.95 126.31 2krt s ARG 17 Ca 0.75 -0.15 0.38 0.00 -2.50 0.00 0.00 55.73 54.21 2krt s ARG 17 Cb -0.38 -0.95 2.08 0.00 0.06 0.00 0.00 34.95 35.76 2krt s ARG 17 CO 0.32 -0.07 2.17 1.37 -2.50 0.00 0.00 175.30 176.59 2krt h LEU 18 N 7.19 0.00 0.07 -0.88 8.10 -1.95 0.74 115.31 128.59 2krt h LEU 18 Ca -0.36 0.00 -0.33 0.00 0.11 0.00 0.00 57.88 57.30 2krt h LEU 18 Cb 1.16 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.35 2krt h LEU 18 CO 0.46 0.00 -1.82 0.50 -4.11 0.00 0.00 178.44 173.48 2krt h LYS 19 N 0.00 0.16 0.00 0.17 3.64 -1.97 -3.36 116.57 115.21 2krt h LYS 19 Ca 0.00 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2krt h LYS 19 Cb 0.28 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2krt h LYS 19 CO 0.00 0.91 -0.51 -3.47 -2.27 0.00 0.00 179.45 174.11 2krt n ASP 20 N -3.30 1.48 0.02 4.20 2.03 -0.40 -4.81 116.55 115.77 2krt n ASP 20 Ca -0.24 0.49 -0.12 0.00 0.52 0.00 0.00 54.79 55.44 2krt n ASP 20 Cb 1.05 -0.77 -0.09 0.00 -0.72 0.00 0.00 41.12 40.59 2krt n ASP 20 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2krt h THR 21 N -0.80 1.14 -2.26 5.18 2.02 0.18 -3.42 112.91 114.95 2krt h THR 21 Ca 0.00 -1.21 -0.07 0.00 0.77 0.00 0.00 66.41 65.90 2krt h THR 21 Cb 0.51 1.88 -0.21 0.00 -1.74 0.00 0.00 68.15 68.59 2krt h THR 21 CO 0.00 0.28 0.04 0.72 0.37 0.00 0.00 175.52 176.93 2krt s PHE 22 N -3.75 -0.61 -0.10 3.16 -0.71 -1.21 -0.41 117.98 114.36 2krt s PHE 22 Ca -0.15 1.28 -0.14 0.00 -1.04 0.00 0.00 56.93 56.88 2krt s PHE 22 Cb 0.01 0.28 -0.05 0.00 -1.21 0.00 0.00 43.02 42.05 2krt s PHE 22 CO 0.58 -0.44 0.33 0.34 -1.34 0.00 0.00 175.22 174.69 2krt s ASP 23 N -0.46 6.58 -0.29 1.98 2.15 -0.63 -4.25 116.67 121.75 2krt s ASP 23 Ca -0.06 0.69 -0.08 0.00 0.43 0.00 0.00 52.55 53.53 2krt s ASP 23 Cb -0.03 -2.20 -0.01 0.00 -0.30 0.00 0.00 42.92 40.39 2krt s ASP 23 CO 0.05 0.21 0.10 0.72 -0.17 0.00 0.00 175.17 176.07 2krt s PHE 24 N -0.24 3.14 -0.11 -5.34 -0.71 -1.26 -1.30 117.98 112.16 2krt s PHE 24 Ca 0.20 -0.72 0.00 0.00 -1.04 0.00 0.00 56.93 55.37 2krt s PHE 24 Cb -0.14 -2.28 -0.02 0.00 -1.21 0.00 0.00 43.02 39.36 2krt s PHE 24 CO 0.08 -0.49 -0.11 0.21 -1.34 0.00 0.00 175.22 173.57 2krt s LYS 25 N 1.56 3.15 -0.08 1.99 2.20 -0.01 -4.96 119.74 123.60 2krt s LYS 25 Ca 0.04 -0.63 -0.12 0.00 -0.36 0.00 0.00 55.97 54.90 2krt s LYS 25 Cb -0.17 -2.63 -0.05 0.00 -1.51 0.00 0.00 37.83 33.48 2krt s LYS 25 CO 0.04 0.38 0.29 -0.51 -0.36 0.00 0.00 175.35 175.19 2krt s LEU 26 N -0.07 4.38 0.36 5.43 2.01 -1.25 -0.87 118.68 128.67 2krt s LEU 26 Ca -0.01 0.68 0.04 0.00 0.01 0.00 0.00 54.13 54.84 2krt s LEU 26 Cb -0.14 -2.36 0.68 0.00 0.01 0.00 0.00 46.19 44.39 2krt s LEU 26 CO 0.03 0.29 2.00 0.00 1.01 0.00 0.00 176.35 179.68 2krt h ALA 27 N 5.33 1.55 0.00 4.21 0.00 -1.49 -0.96 119.26 127.90 2krt h ALA 27 Ca -0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2krt h ALA 27 Cb 1.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2krt h ALA 27 CO 0.64 0.39 -0.07 0.00 0.00 0.00 0.00 179.25 180.21 2krt h ALA 28 N 1.62 1.01 -2.69 0.00 0.00 -1.92 -3.37 119.26 113.91 2krt h ALA 28 Ca 0.19 -0.06 -0.60 0.00 0.00 0.00 0.00 54.91 54.44 2krt h ALA 28 Cb -0.02 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.37 2krt h ALA 28 CO -0.04 0.08 -0.82 -0.06 0.00 0.00 0.00 179.25 178.42 2krt s PHE 29 N -3.65 1.82 0.52 0.00 0.08 -0.37 -4.98 117.98 111.40 2krt s PHE 29 Ca 0.01 -2.51 0.24 0.00 0.12 0.00 0.00 56.93 54.79 2krt s PHE 29 Cb 0.09 -1.54 1.52 0.00 -0.57 0.00 0.00 43.02 42.52 2krt s PHE 29 CO 0.58 -0.75 2.16 -1.35 -0.10 0.00 0.00 175.22 175.76 2krt h PRO 30 N 5.97 0.00 -3.03 0.24 0.11 -1.70 -3.27 132.00 130.32 2krt h PRO 30 Ca 0.16 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.65 2krt h PRO 30 Cb 0.88 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.58 2krt h PRO 30 CO 0.46 0.05 -0.61 -0.80 -0.21 0.00 0.00 178.00 176.89 2krt s ASN 31 N -6.48 4.48 0.32 -2.05 0.01 -1.26 -4.93 114.94 105.03 2krt s ASN 31 Ca -0.04 -3.74 0.01 0.00 -0.71 0.00 0.00 52.86 48.38 2krt s ASN 31 Cb 0.15 -1.52 0.01 0.00 0.41 0.00 0.00 41.25 40.30 2krt s ASN 31 CO 0.60 -0.10 0.07 0.00 -1.51 0.00 0.00 177.10 176.16 2krt n GLN 32 N 2.11 1.17 -3.59 -0.60 -0.00 -1.23 -5.15 117.38 110.09 2krt n GLN 32 Ca 0.20 -2.27 -0.10 0.00 -0.00 0.00 0.00 57.00 54.84 2krt n GLN 32 Cb 0.36 0.51 -0.05 0.00 -0.00 0.00 0.00 30.24 31.06 2krt n GLN 32 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2krt s ASN 33 N -2.81 -0.36 0.00 2.61 3.84 -1.26 -5.04 114.94 111.91 2krt s ASN 33 Ca 0.05 0.46 0.00 0.00 0.21 0.00 0.00 52.86 53.58 2krt s ASN 33 Cb -0.00 0.38 0.00 0.00 -0.55 0.00 0.00 41.25 41.08 2krt s ASN 33 CO 0.03 -0.29 0.34 0.00 -2.79 0.00 0.00 177.10 174.40 2krt n TYR 34 N 0.98 0.00 0.11 0.43 0.18 -1.26 -0.74 117.16 116.86 2krt n TYR 34 Ca -0.10 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.69 2krt n TYR 34 Cb 0.58 -0.07 0.01 0.00 -0.38 0.00 0.00 39.34 39.48 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 0.15 1.19 -0.08 9.48 8.00 -1.26 -3.60 116.55 130.43 2krt n ASP 35 Ca 0.00 -1.09 -0.09 0.00 0.71 0.00 0.00 54.79 54.32 2krt n ASP 35 Cb 0.17 0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.11 1.24 -3.69 -1.24 1.13 0.08 -4.90 117.38 110.11 2krt n GLN 36 Ca 0.02 -0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.73 2krt n GLN 36 Cb 0.07 -1.43 -0.05 0.00 0.11 0.00 0.00 30.24 28.94 2krt n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2krt s LEU 37 N -5.27 4.36 0.13 1.08 2.01 -1.24 -5.04 118.68 114.70 2krt s LEU 37 Ca -0.09 0.64 -0.17 0.00 0.01 0.00 0.00 54.13 54.52 2krt s LEU 37 Cb 0.05 -2.81 -0.07 0.00 0.01 0.00 0.00 46.19 43.37 2krt s LEU 37 CO 0.67 0.22 0.57 -0.76 1.01 0.00 0.00 176.35 178.06 2krt s LEU 38 N -1.86 4.41 0.57 1.79 1.43 -1.26 -4.68 118.68 119.09 2krt s LEU 38 Ca 0.30 1.17 0.32 0.00 -1.03 0.00 0.00 54.13 54.89 2krt s LEU 38 Cb -0.13 -3.16 1.41 0.00 0.03 0.00 0.00 46.19 44.34 2krt s LEU 38 CO 0.17 0.16 1.74 -0.65 0.23 0.00 0.00 176.35 178.00 2krt h PRO 39 N 3.90 0.00 -0.00 1.29 0.11 -1.97 -1.12 132.00 134.22 2krt h PRO 39 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2krt h PRO 39 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2krt h PRO 39 CO 0.65 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 179.09 2krt h SER 40 N 0.00 0.01 -0.11 -2.05 4.64 -1.98 -3.16 113.55 110.90 2krt h SER 40 Ca 0.43 -0.76 -0.06 0.00 -0.47 0.00 0.00 61.79 60.92 2krt h SER 40 Cb 2.02 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.09 2krt h SER 40 CO -0.00 0.77 -0.11 1.56 -0.87 0.00 0.00 176.83 178.17 2krt h GLN 41 N -0.75 0.44 -0.08 4.77 1.08 -1.64 -2.12 115.11 116.80 2krt h GLN 41 Ca -0.00 -0.12 0.04 0.00 -1.45 0.00 0.00 58.65 57.12 2krt h GLN 41 Cb 0.77 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.10 2krt h GLN 41 CO 0.00 0.56 -0.20 0.82 -0.95 0.00 0.00 178.83 179.07 2krt h ILE 42 N 0.41 0.52 -0.92 2.54 2.04 -1.44 -2.06 117.51 118.60 2krt h ILE 42 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 2krt h ILE 42 Cb 0.45 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 2krt h ILE 42 CO 0.03 0.00 0.59 0.22 0.00 0.00 0.00 178.15 178.99 2krt h TYR 43 N -0.27 1.11 0.00 1.37 3.20 -1.46 -2.70 116.97 118.22 2krt h TYR 43 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2krt h TYR 43 Cb 0.39 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2krt h TYR 43 CO -0.28 0.61 0.00 1.63 -1.64 0.00 0.00 178.16 178.48 2krt n LYS 44 N -4.53 0.05 0.00 1.82 5.02 -0.79 -1.57 118.16 118.16 2krt n LYS 44 Ca 0.13 0.31 0.10 0.00 -2.02 0.00 0.00 58.31 56.82 2krt n LYS 44 Cb 0.12 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.57 2krt n LYS 44 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2krt n ASN 45 N -1.39 1.40 -0.13 4.39 5.15 -1.02 -4.62 115.26 119.06 2krt n ASN 45 Ca 0.02 -1.20 0.14 0.00 -0.60 0.00 0.00 54.58 52.94 2krt n ASN 45 Cb 0.06 0.77 0.50 0.00 -0.53 0.00 0.00 39.78 40.58 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 1.03 0.46 0.00 1.20 -0.00 -1.41 0.16 116.97 118.41 2krt h TYR 46 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 2krt h TYR 46 Cb 0.59 -0.15 0.00 0.00 -0.00 0.00 0.00 36.73 37.17 2krt h TYR 46 CO 0.00 0.20 -0.43 2.48 -0.00 0.00 0.00 178.16 180.41 2krt n TYR 47 N -4.47 0.13 0.02 0.10 4.11 -1.26 -4.17 117.16 111.62 2krt n TYR 47 Ca 0.12 0.04 -0.15 0.00 -0.00 0.00 0.00 57.90 57.91 2krt n TYR 47 Cb 0.45 -0.39 -0.14 0.00 -0.00 0.00 0.00 39.34 39.26 2krt n TYR 47 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.86 178.82 2krt h GLN 48 N 0.00 0.16 0.00 -3.48 4.20 -0.98 -3.50 115.11 111.51 2krt h GLN 48 Ca 0.00 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2krt h GLN 48 Cb 0.55 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2krt h GLN 48 CO 0.00 0.93 0.00 0.41 -0.67 0.00 0.00 178.83 179.50 2krt n GLY 49 N 1.73 4.38 2.87 3.46 0.00 -1.08 -4.85 105.19 111.71 2krt n GLY 49 Ca -0.21 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.68 0.79 -0.15 -0.61 1.01 -1.26 -1.23 121.20 119.08 2krt s ILE 50 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.37 2krt s ILE 50 Cb 0.00 -0.84 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 2krt s ILE 50 CO 0.00 0.32 0.23 -1.61 0.00 0.00 0.00 174.94 173.88 2krt s GLU 51 N 1.63 4.04 -0.11 2.79 0.41 -0.05 -4.87 118.70 122.53 2krt s GLU 51 Ca 0.02 -0.00 -0.02 0.00 -0.41 0.00 0.00 54.97 54.55 2krt s GLU 51 Cb -0.13 -3.35 -0.03 0.00 -1.78 0.00 0.00 34.13 28.83 2krt s GLU 51 CO -0.06 0.41 -0.01 0.42 -0.49 0.00 0.00 175.26 175.53 2krt s ILE 52 N -0.03 4.16 -0.37 -1.63 -1.09 -1.26 -0.83 121.20 120.16 2krt s ILE 52 Ca 0.15 -0.29 -0.11 0.00 -2.23 0.00 0.00 60.65 58.17 2krt s ILE 52 Cb -0.13 -2.77 0.02 0.00 -1.58 0.00 0.00 42.46 38.00 2krt s ILE 52 CO 0.03 0.56 0.20 -1.58 -1.23 0.00 0.00 174.94 172.93 2krt s GLN 53 N -0.42 2.92 0.27 2.79 2.00 -0.42 -4.94 119.66 121.86 2krt s GLN 53 Ca 0.07 -1.02 -0.29 0.00 -2.00 0.00 0.00 55.36 52.13 2krt s GLN 53 Cb -0.12 -3.72 -0.09 0.00 0.80 0.00 0.00 33.01 29.88 2krt s GLN 53 CO 0.02 -0.66 0.98 1.14 -0.50 0.00 0.00 175.29 176.28 2krt s GLN 54 N 1.57 4.74 0.00 1.67 -2.07 -1.26 -1.61 119.66 122.70 2krt s GLN 54 Ca 0.03 1.54 0.00 0.00 -1.82 0.00 0.00 55.36 55.10 2krt s GLN 54 Cb -0.19 -3.15 0.00 0.00 -1.09 0.00 0.00 33.01 28.58 2krt s GLN 54 CO 0.07 0.38 0.07 1.58 -1.32 0.00 0.00 175.29 176.07 2krt n HIS 55 N 1.21 0.00 -4.10 9.60 -0.00 0.45 -4.97 115.22 117.41 2krt n HIS 55 Ca -0.01 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.12 2krt n HIS 55 Cb 0.47 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.33 2krt n HIS 55 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2krt n LYS 56 N -0.01 1.30 -1.75 1.57 4.81 -1.15 -4.88 118.16 118.05 2krt n LYS 56 Ca 0.00 -0.57 -0.20 0.00 -0.87 0.00 0.00 58.31 56.66 2krt n LYS 56 Cb 0.19 0.24 -0.06 0.00 0.02 0.00 0.00 35.03 35.42 2krt n LYS 56 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2krt s TYR 57 N -1.56 1.38 -2.10 5.64 1.51 -1.26 -4.69 117.35 116.27 2krt s TYR 57 Ca 0.02 1.46 0.25 0.00 -1.01 0.00 0.00 57.07 57.79 2krt s TYR 57 Cb 0.00 -3.68 0.43 0.00 -0.11 0.00 0.00 41.96 38.60 2krt s TYR 57 CO 0.01 -1.73 1.37 1.04 -1.11 0.00 0.00 175.55 175.14 2krt n GLN 58 N 8.86 1.26 0.04 -0.62 1.13 -1.26 -3.86 117.38 122.93 2krt n GLN 58 Ca 0.43 -0.91 -0.13 0.00 -1.94 0.00 0.00 57.00 54.44 2krt n GLN 58 Cb 0.46 -1.48 -0.08 0.00 0.11 0.00 0.00 30.24 29.24 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 2.23 -0.07 0.19 1.08 -0.73 -2.02 -3.36 115.58 112.89 2krt h ASN 59 Ca 0.00 -0.24 -0.35 0.00 1.87 0.00 0.00 56.30 57.58 2krt h ASN 59 Cb 0.66 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 2krt h ASN 59 CO 0.00 0.20 -1.91 -0.33 -0.37 0.00 0.00 177.43 175.01 2krt h GLU 60 N -0.35 0.26 -6.14 6.67 4.39 -1.97 -3.43 114.58 114.02 2krt h GLU 60 Ca -0.01 -0.45 -0.56 0.00 0.34 0.00 0.00 59.36 58.69 2krt h GLU 60 Cb 0.31 0.17 -0.20 0.00 -0.10 0.00 0.00 28.75 28.92 2krt h GLU 60 CO 0.01 1.16 -0.81 -0.48 -1.16 0.00 0.00 179.01 177.74 2krt s LEU 61 N -6.99 2.36 -0.13 1.33 0.05 -1.25 -0.40 118.68 113.64 2krt s LEU 61 Ca -0.19 -0.76 -0.05 0.00 0.05 0.00 0.00 54.13 53.17 2krt s LEU 61 Cb 0.07 -0.89 -0.04 0.00 -2.05 0.00 0.00 46.19 43.27 2krt s LEU 61 CO 0.79 0.03 0.06 -0.62 -0.55 0.00 0.00 176.35 176.06 2krt s ASP 62 N -2.24 5.65 -0.28 1.48 -1.08 0.14 -4.10 116.67 116.24 2krt s ASP 62 Ca 0.11 0.19 0.03 0.00 -0.52 0.00 0.00 52.55 52.36 2krt s ASP 62 Cb -0.08 -1.80 0.07 0.00 -1.46 0.00 0.00 42.92 39.65 2krt s ASP 62 CO 0.05 0.31 -0.04 -0.63 0.52 0.00 0.00 175.17 175.38 2krt s ILE 63 N -0.44 2.01 0.02 4.11 1.01 -1.26 -2.80 121.20 123.85 2krt s ILE 63 Ca 0.10 -1.77 -0.05 0.00 0.00 0.00 0.00 60.65 58.93 2krt s ILE 63 Cb -0.12 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 2krt s ILE 63 CO 0.02 -0.25 0.08 -0.54 0.00 0.00 0.00 174.94 174.25 2krt s LYS 64 N 1.12 0.49 -0.03 2.79 1.02 -1.26 -4.92 119.74 118.96 2krt s LYS 64 Ca -0.01 -0.60 -0.14 0.00 0.02 0.00 0.00 55.97 55.24 2krt s LYS 64 Cb -0.19 0.19 -0.05 0.00 -0.52 0.00 0.00 37.83 37.26 2krt s LYS 64 CO -0.07 -0.11 0.37 0.42 -0.92 0.00 0.00 175.35 175.03 2krt s ILE 65 N -1.94 5.12 -0.13 2.17 1.01 -1.26 -1.31 121.20 124.86 2krt s ILE 65 Ca -0.11 0.74 -0.11 0.00 0.00 0.00 0.00 60.65 61.17 2krt s ILE 65 Cb -0.05 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2krt s ILE 65 CO -0.02 0.57 -0.22 -0.38 0.00 0.00 0.00 174.94 174.89 2krt n ILE 66 N 2.01 1.15 -4.16 2.92 5.41 0.22 -4.91 119.36 121.99 2krt n ILE 66 Ca -0.14 0.24 -0.15 0.00 1.00 0.00 0.00 62.75 63.70 2krt n ILE 66 Cb 0.53 -2.18 -0.05 0.00 -0.71 0.00 0.00 39.64 37.22 2krt n ILE 66 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2krt n ASN 67 N -4.06 -0.73 -4.00 4.38 6.94 -1.26 -4.79 115.26 111.74 2krt n ASN 67 Ca -0.09 -2.72 -0.17 0.00 -0.02 0.00 0.00 54.58 51.59 2krt n ASN 67 Cb 0.33 1.56 -0.14 0.00 -2.36 0.00 0.00 39.78 39.17 2krt n ASN 67 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2krt s PHE 68 N -3.15 0.65 0.15 -2.53 0.08 -1.26 -2.60 117.98 109.31 2krt s PHE 68 Ca 0.30 -0.18 -0.05 0.00 0.12 0.00 0.00 56.93 57.12 2krt s PHE 68 Cb 0.01 -0.41 -0.02 0.00 -0.57 0.00 0.00 43.02 42.03 2krt s PHE 68 CO 0.21 -0.02 0.17 -0.48 -0.10 0.00 0.00 175.22 175.00 2krt s LEU 69 N -0.41 1.38 -0.13 -0.37 2.34 -1.16 -4.88 118.68 115.45 2krt s LEU 69 Ca 0.01 -1.04 -0.07 0.00 0.06 0.00 0.00 54.13 53.09 2krt s LEU 69 Cb -0.04 0.74 -0.04 0.00 -0.56 0.00 0.00 46.19 46.29 2krt s LEU 69 CO -0.00 -0.81 0.13 -0.31 -1.06 0.00 0.00 176.35 174.30 2krt s TYR 70 N -4.01 3.55 0.04 3.48 2.02 -1.26 -0.96 117.35 120.21 2krt s TYR 70 Ca 0.20 0.48 -0.32 0.00 -0.37 0.00 0.00 57.07 57.07 2krt s TYR 70 Cb 0.05 -1.97 -0.18 0.00 -0.40 0.00 0.00 41.96 39.47 2krt s TYR 70 CO 0.01 0.66 1.34 -1.35 -1.57 0.00 0.00 175.55 174.63 2krt h PRO 71 N 5.24 -1.06 0.00 -1.71 0.11 -1.94 -3.08 132.00 129.56 2krt h PRO 71 Ca -0.53 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2krt h PRO 71 Cb 1.22 0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.57 2krt h PRO 71 CO 0.61 -0.70 0.00 -0.25 -0.21 0.00 0.00 178.00 177.44 2krt n ASP 72 N -5.52 0.00 0.00 -2.05 9.92 -1.26 -4.91 116.55 112.73 2krt n ASP 72 Ca -0.14 -0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.02 2krt n ASP 72 Cb 0.44 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 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 0.53 1.29 3.76 0.44 0.00 -1.17 -4.81 105.19 105.23 2krt n GLY 73 Ca 0.11 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2krt n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2krt s ASP 74 N 0.00 6.55 0.13 1.61 2.15 -1.26 -4.82 116.67 121.02 2krt s ASP 74 Ca 0.00 2.82 -0.20 0.00 0.43 0.00 0.00 52.55 55.59 2krt s ASP 74 Cb 0.00 -2.64 -0.03 0.00 -0.30 0.00 0.00 42.92 39.95 2krt s ASP 74 CO 0.00 -0.75 1.70 2.19 -0.17 0.00 0.00 175.17 178.14 2krt h PHE 75 N 4.20 -0.14 -0.31 -5.34 -0.00 -1.99 0.19 116.94 113.55 2krt h PHE 75 Ca -0.48 0.02 -0.07 0.00 -0.00 0.00 0.00 57.97 57.44 2krt h PHE 75 Cb 1.22 0.09 -0.01 0.00 -0.00 0.00 0.00 35.95 37.26 2krt h PHE 75 CO 0.57 -0.10 -0.08 0.78 -0.00 0.00 0.00 178.31 179.48 2krt h GLY 76 N -0.03 0.66 2.00 6.09 0.00 -1.98 -0.56 103.07 109.25 2krt h GLY 76 Ca 0.09 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 2krt h GLY 76 CO -0.21 0.50 -0.08 1.76 0.00 0.00 0.00 176.54 178.52 2krt h SER 77 N 0.38 0.00 0.18 0.19 0.02 -1.85 0.68 113.55 113.16 2krt h SER 77 Ca 0.08 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.78 2krt h SER 77 Cb 0.57 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.14 2krt h SER 77 CO 0.03 0.08 -1.10 0.00 -1.14 0.00 0.00 176.83 174.70 2krt h ALA 78 N 1.92 -0.10 0.00 3.77 0.00 -0.37 -3.36 119.26 121.12 2krt h ALA 78 Ca -0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 54.91 54.05 2krt h ALA 78 Cb 0.20 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2krt h ALA 78 CO 0.01 0.52 -0.40 -0.97 0.00 0.00 0.00 179.25 178.41 2krt h ASN 79 N -0.17 0.00 -0.64 0.00 -1.24 -0.46 -1.86 115.58 111.21 2krt h ASN 79 Ca -0.20 0.00 0.15 0.00 0.71 0.00 0.00 56.30 56.96 2krt h ASN 79 Cb 1.85 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.87 2krt h ASN 79 CO 0.20 0.40 0.44 0.07 -1.29 0.00 0.00 177.43 177.24 2krt h LYS 80 N 0.00 0.21 -0.00 6.67 2.10 -1.02 -0.73 116.57 123.80 2krt h LYS 80 Ca -0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2krt h LYS 80 Cb 0.75 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 2krt h LYS 80 CO 0.05 0.14 -0.68 0.09 -2.00 0.00 0.00 179.45 177.05 2krt n ASN 81 N -4.43 0.75 -3.62 7.07 3.02 -1.10 -1.80 115.26 115.15 2krt n ASN 81 Ca 0.12 -0.87 -0.24 0.00 -0.03 0.00 0.00 54.58 53.56 2krt n ASN 81 Cb 0.56 0.97 0.07 0.00 -0.61 0.00 0.00 39.78 40.78 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 1.34 -0.50 3.65 7.41 0.00 -0.33 -4.36 105.19 112.40 2krt n GLY 82 Ca 0.03 0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.34 4.07 -0.03 2.61 -4.23 -1.09 -2.32 115.64 111.30 2krt s THR 83 Ca 0.47 -0.49 -0.03 0.00 -1.18 0.00 0.00 61.69 60.47 2krt s THR 83 Cb -0.21 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 70.89 2krt s THR 83 CO 0.75 0.49 0.08 -0.22 -0.54 0.00 0.00 174.62 175.18 2krt s LEU 84 N -1.19 1.65 -0.45 4.79 1.98 -0.55 -4.61 118.68 120.30 2krt s LEU 84 Ca 0.16 0.16 -0.22 0.00 -2.89 0.00 0.00 54.13 51.34 2krt s LEU 84 Cb -0.11 0.26 0.03 0.00 0.66 0.00 0.00 46.19 47.02 2krt s LEU 84 CO 0.06 -0.03 0.70 -0.54 -1.89 0.00 0.00 176.35 174.64 2krt s LYS 85 N 0.12 3.31 -0.20 1.98 1.02 -0.14 -1.69 119.74 124.14 2krt s LYS 85 Ca -0.01 -0.30 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 2krt s LYS 85 Cb -0.01 -3.96 0.00 0.00 -0.52 0.00 0.00 37.83 33.34 2krt s LYS 85 CO -0.00 -1.07 1.13 -0.51 -0.92 0.00 0.00 175.35 173.98 2krt s LEU 86 N 3.00 4.13 -0.59 3.17 2.01 0.60 -3.01 118.68 127.98 2krt s LEU 86 Ca 0.25 1.51 -0.19 0.00 0.01 0.00 0.00 54.13 55.70 2krt s LEU 86 Cb -0.14 -3.54 0.10 0.00 0.01 0.00 0.00 46.19 42.63 2krt s LEU 86 CO 0.20 -0.71 0.71 -0.55 1.01 0.00 0.00 176.35 177.01 2krt s SER 87 N 1.51 6.18 -0.13 2.29 0.15 -1.07 -0.98 113.70 121.66 2krt s SER 87 Ca 0.48 -1.41 -0.10 0.00 0.70 0.00 0.00 55.95 55.63 2krt s SER 87 Cb -0.18 -2.31 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 2krt s SER 87 CO 0.09 -1.12 0.19 -0.76 1.20 0.00 0.00 173.24 172.84 2krt s LEU 88 N 2.73 4.34 -0.44 3.45 1.02 -0.62 -0.61 118.68 128.55 2krt s LEU 88 Ca 0.12 0.48 -0.11 0.00 0.02 0.00 0.00 54.13 54.64 2krt s LEU 88 Cb -0.24 -2.18 0.08 0.00 0.02 0.00 0.00 46.19 43.87 2krt s LEU 88 CO 0.06 0.30 0.30 0.00 0.02 0.00 0.00 176.35 177.04 2krt s MET 89 N -0.51 2.68 -0.75 1.70 0.23 -0.43 -1.26 119.30 120.96 2krt s MET 89 Ca 0.15 -1.46 -0.26 0.00 -1.03 0.00 0.00 55.69 53.09 2krt s MET 89 Cb -0.12 -3.87 0.04 0.00 -1.53 0.00 0.00 34.83 29.34 2krt s MET 89 CO 0.04 -0.99 1.23 -0.51 -2.03 0.00 0.00 175.02 172.76 2krt s LEU 90 N 1.47 3.44 -0.28 0.18 2.01 0.12 -4.03 118.68 121.60 2krt s LEU 90 Ca 0.03 -0.66 -0.18 0.00 0.01 0.00 0.00 54.13 53.34 2krt s LEU 90 Cb -0.24 -2.53 -0.03 0.00 0.01 0.00 0.00 46.19 43.41 2krt s LEU 90 CO 0.03 -1.73 0.50 -0.89 1.01 0.00 0.00 176.35 175.27 2krt s THR 91 N 5.32 5.07 0.36 5.49 2.01 -1.12 -0.51 115.64 132.26 2krt s THR 91 Ca 0.34 0.76 -0.28 0.00 0.31 0.00 0.00 61.69 62.82 2krt s THR 91 Cb -0.09 -3.83 -0.10 0.00 0.01 0.00 0.00 72.50 68.49 2krt s THR 91 CO 0.12 0.05 1.28 -1.81 -0.69 0.00 0.00 174.62 173.56 2krt s ASP 92 N 1.59 6.65 0.00 3.53 1.11 0.15 -0.68 116.67 129.02 2krt s ASP 92 Ca 0.20 2.61 0.15 0.00 0.18 0.00 0.00 52.55 55.69 2krt s ASP 92 Cb -0.16 -2.64 -0.18 0.00 1.07 0.00 0.00 42.92 41.01 2krt s ASP 92 CO 0.10 -0.61 0.71 0.29 1.18 0.00 0.00 175.17 176.84 2krt n LYS 93 N 0.55 0.63 -0.02 8.23 4.01 0.46 -2.33 118.16 129.70 2krt n LYS 93 Ca 0.01 0.24 -0.16 0.00 -0.51 0.00 0.00 58.31 57.90 2krt n LYS 93 Cb 0.43 -1.79 -0.12 0.00 -0.51 0.00 0.00 35.03 33.05 2krt n LYS 93 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 2krt h LYS 94 N 0.00 0.21 0.00 1.97 2.10 -1.89 -3.38 116.57 115.57 2krt h LYS 94 Ca -0.23 -0.24 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2krt h LYS 94 Cb 1.79 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.19 2krt h LYS 94 CO 0.06 0.99 -1.06 0.09 -2.00 0.00 0.00 179.45 177.52 2krt n ASN 95 N -4.43 0.92 -2.44 7.07 3.02 -1.26 -5.00 115.26 113.14 2krt n ASN 95 Ca -0.10 -0.59 -0.20 0.00 -0.03 0.00 0.00 54.58 53.66 2krt n ASN 95 Cb 0.56 1.24 -0.01 0.00 -0.61 0.00 0.00 39.78 40.96 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 -1.59 -5.59 -2.75 6.41 3.02 -0.98 -4.97 115.26 108.80 2krt n ASN 96 Ca 0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.50 2krt n ASN 96 Cb 0.30 -4.66 0.01 0.00 -0.61 0.00 0.00 39.78 34.82 2krt n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2krt n GLN 97 N -3.03 1.14 -3.84 3.52 1.13 -1.26 -4.81 117.38 110.23 2krt n GLN 97 Ca -0.22 -0.87 -0.15 0.00 -1.94 0.00 0.00 57.00 53.82 2krt n GLN 97 Cb 0.67 0.04 -0.15 0.00 0.11 0.00 0.00 30.24 30.91 2krt n GLN 97 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2krt s VAL 98 N -0.43 0.02 -0.06 5.09 0.11 -1.26 -0.67 120.40 123.21 2krt s VAL 98 Ca 0.11 0.12 0.04 0.00 -2.93 0.00 0.00 61.98 59.32 2krt s VAL 98 Cb -0.01 -0.11 -0.00 0.00 -1.53 0.00 0.00 36.38 34.73 2krt s VAL 98 CO 0.07 0.08 -0.17 -0.47 -3.33 0.00 0.00 175.10 171.27 2krt s TYR 99 N 0.73 1.81 -0.13 1.54 5.04 0.33 -4.95 117.35 121.72 2krt s TYR 99 Ca -0.06 -0.58 -0.18 0.00 -2.44 0.00 0.00 57.07 53.81 2krt s TYR 99 Cb -0.09 -1.23 -0.04 0.00 0.35 0.00 0.00 41.96 40.95 2krt s TYR 99 CO -0.02 -0.22 0.47 0.71 -1.34 0.00 0.00 175.55 175.16 2krt s TYR 100 N 0.19 3.50 -0.13 4.97 2.02 -1.26 0.12 117.35 126.75 2krt s TYR 100 Ca -0.08 0.87 -0.00 0.00 -0.37 0.00 0.00 57.07 57.49 2krt s TYR 100 Cb -0.13 -2.56 0.02 0.00 -0.40 0.00 0.00 41.96 38.90 2krt s TYR 100 CO 0.03 0.15 -0.10 0.21 -1.57 0.00 0.00 175.55 174.26 2krt s LYS 101 N 0.71 1.86 -0.25 -0.62 2.47 -0.39 -4.99 119.74 118.53 2krt s LYS 101 Ca 0.25 -0.39 -0.15 0.00 -1.56 0.00 0.00 55.97 54.13 2krt s LYS 101 Cb -0.15 -1.80 -0.04 0.00 -1.46 0.00 0.00 37.83 34.38 2krt s LYS 101 CO 0.10 -0.25 0.36 -0.51 0.16 0.00 0.00 175.35 175.21 2krt s LEU 102 N 1.59 4.07 -0.40 5.43 1.43 -1.26 -1.59 118.68 127.95 2krt s LEU 102 Ca 0.05 0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2krt s LEU 102 Cb -0.13 -2.41 0.10 0.00 0.03 0.00 0.00 46.19 43.78 2krt s LEU 102 CO -0.09 -0.14 0.19 -0.76 0.23 0.00 0.00 176.35 175.78 2krt s LEU 103 N 1.83 5.12 -0.61 1.79 1.43 -0.15 -4.91 118.68 123.18 2krt s LEU 103 Ca 0.15 -1.91 -0.22 0.00 -1.03 0.00 0.00 54.13 51.11 2krt s LEU 103 Cb -0.15 -1.83 0.06 0.00 0.03 0.00 0.00 46.19 44.29 2krt s LEU 103 CO 0.09 -0.52 0.91 -1.83 0.23 0.00 0.00 176.35 175.23 2krt s GLU 104 N 1.18 3.17 0.30 1.70 -1.05 -1.26 -0.29 118.70 122.45 2krt s GLU 104 Ca 0.06 -0.70 0.08 0.00 -0.15 0.00 0.00 54.97 54.26 2krt s GLU 104 Cb -0.23 -4.17 -0.03 0.00 -0.44 0.00 0.00 34.13 29.27 2krt s GLU 104 CO -0.03 -1.64 0.22 0.14 0.95 0.00 0.00 175.26 174.89 2krt s VAL 105 N 3.81 3.77 0.20 1.83 -7.23 -0.68 -4.86 120.40 117.24 2krt s VAL 105 Ca 0.23 -1.47 0.09 0.00 -1.81 0.00 0.00 61.98 59.03 2krt s VAL 105 Cb -0.16 -3.20 -0.05 0.00 0.56 0.00 0.00 36.38 33.53 2krt s VAL 105 CO 0.13 -0.25 -0.18 -0.55 -0.31 0.00 0.00 175.10 173.93 2krt s SER 106 N -3.90 2.93 0.00 4.85 0.15 -1.26 -1.48 113.70 114.99 2krt s SER 106 Ca 0.37 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 56.08 2krt s SER 106 Cb -0.06 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2krt s SER 106 CO 0.25 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2krt n GLY 107 N -0.09 1.36 0.42 9.45 0.00 -0.98 -5.00 105.19 110.35 2krt n GLY 107 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.06 -0.89 1.61 0.04 -1.61 -3.44 116.94 111.59 2krt h PHE 108 Ca 0.00 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.84 2krt h PHE 108 Cb 0.00 0.39 -0.21 0.00 2.20 0.00 0.00 35.95 38.34 2krt h PHE 108 CO 0.00 -0.58 -0.29 0.21 -0.60 0.00 0.00 178.31 177.06 2krt s LYS 109 N -5.99 0.50 -0.45 1.51 2.47 -1.26 -4.63 119.74 111.90 2krt s LYS 109 Ca -0.18 0.62 -0.17 0.00 -1.56 0.00 0.00 55.97 54.69 2krt s LYS 109 Cb 0.05 0.31 0.04 0.00 -1.46 0.00 0.00 37.83 36.77 2krt s LYS 109 CO 0.62 -0.81 0.44 -1.54 0.16 0.00 0.00 175.35 174.22 2krt s SER 110 N 2.86 6.18 -0.58 1.43 1.04 -1.26 -3.04 113.70 120.32 2krt s SER 110 Ca 0.14 -0.90 0.06 0.00 0.48 0.00 0.00 55.95 55.73 2krt s SER 110 Cb -0.11 -2.22 0.21 0.00 0.10 0.00 0.00 66.02 64.01 2krt s SER 110 CO -0.24 -0.63 0.55 0.59 0.98 0.00 0.00 173.24 174.50 2krt n ASN 111 N 5.54 2.18 0.00 7.02 5.03 -0.87 -4.93 115.26 129.23 2krt n ASN 111 Ca -0.09 -3.05 0.00 0.00 0.87 0.00 0.00 54.58 52.31 2krt n ASN 111 Cb 0.46 -0.68 0.00 0.00 -1.02 0.00 0.00 39.78 38.55 2krt n ASN 111 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2krt n PRO 112 N 1.68 0.00 -0.01 3.52 -0.04 -0.75 -3.99 135.00 135.41 2krt n PRO 112 Ca 0.25 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.85 2krt n PRO 112 Cb 0.42 -0.87 0.58 0.00 -0.04 0.00 0.00 33.50 33.59 2krt n PRO 112 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2krt n TYR 113 N -0.50 0.03 -0.04 0.54 0.18 -1.26 -4.28 117.16 111.82 2krt n TYR 113 Ca 0.00 -0.01 -0.15 0.00 1.88 0.00 0.00 57.90 59.62 2krt n TYR 113 Cb 0.00 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 38.88 2krt n TYR 113 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 2krt h LEU 114 N 1.89 0.46 -0.94 -3.48 3.38 -1.95 -2.59 115.31 112.08 2krt h LEU 114 Ca 0.00 -0.59 -0.11 0.00 0.09 0.00 0.00 57.88 57.27 2krt h LEU 114 Cb 0.40 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2krt h LEU 114 CO 0.00 0.98 -0.47 -0.33 0.09 0.00 0.00 178.44 178.71 2krt h GLU 115 N -0.02 0.14 -2.53 1.13 5.08 -1.75 -3.40 114.58 113.23 2krt h GLU 115 Ca -0.01 -0.07 -0.47 0.00 -1.00 0.00 0.00 59.36 57.81 2krt h GLU 115 Cb 0.93 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 29.80 2krt h GLU 115 CO 0.07 0.58 -0.74 -1.01 -1.00 0.00 0.00 179.01 176.91 2krt s HIS 116 N -4.00 0.10 0.00 4.33 3.76 -1.20 -5.06 115.29 113.23 2krt s HIS 116 Ca -0.03 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.12 2krt s HIS 116 Cb 0.13 -0.74 0.00 0.00 1.11 0.00 0.00 32.58 33.08 2krt s HIS 116 CO 0.76 -0.87 0.00 0.72 -0.85 0.00 0.00 174.74 174.51 2krt n HIS 117 N 5.07 0.00 -0.01 1.40 8.25 -0.98 -4.61 115.22 124.34 2krt n HIS 117 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 2krt n HIS 117 Cb 0.43 -0.36 -0.10 0.00 1.12 0.00 0.00 29.99 31.08 2krt n HIS 117 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2krt h HIS 118 N 0.00 -0.06 -5.78 4.41 -0.00 -1.97 -3.49 115.15 108.26 2krt h HIS 118 Ca 0.00 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.27 2krt h HIS 118 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 2krt h HIS 118 CO 0.00 0.53 -0.91 1.58 -0.00 0.00 0.00 177.93 179.13 2krt n HIS 119 N -4.82 -2.72 0.62 5.26 -0.00 -1.26 -4.95 115.22 107.36 2krt n HIS 119 Ca -0.09 1.15 0.07 0.00 0.46 0.00 0.00 57.72 59.32 2krt n HIS 119 Cb 0.31 -2.88 0.05 0.00 -0.12 0.00 0.00 29.99 27.35 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 0.32 0.00 1.10 1.57 -0.00 -1.26 -5.23 115.22 111.72 2krt n HIS 120 Ca 0.01 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.82 2krt n HIS 120 Cb 0.40 0.00 0.52 0.00 -0.00 0.00 0.00 29.99 30.92 2krt n HIS 120 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92