#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kk5 n GLY 2 N 0.00 1.05 3.82 -5.12 0.00 -1.26 -4.99 105.19 98.70 1kk5 n GLY 2 Ca 0.00 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.63 1kk5 n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kk5 s PRO 3 N -1.57 3.15 -0.33 1.61 0.04 -1.26 -5.01 135.00 131.64 1kk5 s PRO 3 Ca 0.00 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 1kk5 s PRO 3 Cb 0.00 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1kk5 s PRO 3 CO 0.00 -0.93 1.36 1.21 0.04 0.00 0.00 177.00 178.68 1kk5 s ASN 4 N -3.59 6.55 0.00 6.66 3.84 -1.26 -4.89 114.94 122.25 1kk5 s ASN 4 Ca 0.59 1.13 0.10 0.00 0.21 0.00 0.00 52.86 54.89 1kk5 s ASN 4 Cb -0.14 -2.54 0.48 0.00 -0.55 0.00 0.00 41.25 38.51 1kk5 s ASN 4 CO 0.50 -1.20 1.25 -0.81 -2.79 0.00 0.00 177.10 174.05 1kk5 n PRO 5 N 7.56 0.10 0.00 0.43 -0.04 -1.26 -1.89 135.00 139.90 1kk5 n PRO 5 Ca 0.16 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 1kk5 n PRO 5 Cb 0.47 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.80 1kk5 n PRO 5 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1kk5 n MET 6 N -1.36 1.46 -3.13 0.54 2.81 -1.26 -4.52 117.12 111.65 1kk5 n MET 6 Ca 0.04 -0.95 -0.39 0.00 -1.81 0.00 0.00 57.70 54.59 1kk5 n MET 6 Cb 0.09 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.07 1kk5 n MET 6 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1kk5 s LYS 7 N -2.20 4.40 0.10 0.03 1.02 -0.79 -4.76 119.74 117.54 1kk5 s LYS 7 Ca 0.31 0.74 -0.23 0.00 0.02 0.00 0.00 55.97 56.81 1kk5 s LYS 7 Cb 0.20 -3.44 -0.13 0.00 -0.52 0.00 0.00 37.83 33.94 1kk5 s LYS 7 CO 0.41 0.11 1.73 0.52 -0.92 0.00 0.00 175.35 177.19 1kk5 h MET 8 N 6.70 -0.04 -3.80 1.68 2.86 -1.89 -3.35 114.93 117.09 1kk5 h MET 8 Ca -0.41 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 56.57 1kk5 h MET 8 Cb 1.19 0.01 -0.39 0.00 0.06 0.00 0.00 31.60 32.47 1kk5 h MET 8 CO 0.75 -0.03 -0.61 0.71 1.06 0.00 0.00 176.91 178.80 1kk5 s TYR 9 N -6.19 3.38 -0.75 -0.22 1.51 -1.26 -0.80 117.35 113.02 1kk5 s TYR 9 Ca -0.13 -3.02 0.20 0.00 -1.01 0.00 0.00 57.07 53.10 1kk5 s TYR 9 Cb 0.07 -2.93 0.83 0.00 -0.11 0.00 0.00 41.96 39.81 1kk5 s TYR 9 CO 0.66 -0.82 1.62 -0.35 -1.11 0.00 0.00 175.55 175.55 1kk5 n PRO 10 N 3.53 0.10 -3.69 -1.71 -0.04 -1.26 -4.53 135.00 127.41 1kk5 n PRO 10 Ca 0.05 0.31 -0.39 0.00 -0.04 0.00 0.00 63.50 63.43 1kk5 n PRO 10 Cb 0.36 -1.69 -0.12 0.00 -0.04 0.00 0.00 33.50 32.02 1kk5 n PRO 10 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1kk5 s ILE 11 N -3.15 4.03 0.13 0.52 1.01 -1.26 -4.86 121.20 117.62 1kk5 s ILE 11 Ca 0.06 -1.14 -0.34 0.00 0.00 0.00 0.00 60.65 59.23 1kk5 s ILE 11 Cb 0.10 -3.32 -0.17 0.00 0.01 0.00 0.00 42.46 39.08 1kk5 s ILE 11 CO 0.35 -0.27 1.04 -1.84 0.00 0.00 0.00 174.94 174.22 1kk5 n GLU 12 N 4.87 0.68 -0.18 2.79 -0.00 -1.26 -1.06 120.64 126.47 1kk5 n GLU 12 Ca -0.12 0.24 0.00 0.00 -0.00 0.00 0.00 57.16 57.29 1kk5 n GLU 12 Cb 0.45 -1.66 0.00 0.00 -0.00 0.00 0.00 31.44 30.23 1kk5 n GLU 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kk5 n GLY 13 N 1.90 1.58 3.50 -1.84 0.00 -1.26 -4.97 105.19 104.10 1kk5 n GLY 13 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1kk5 n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kk5 s ASN 14 N -3.10 5.47 -0.14 1.61 3.84 -0.22 -4.95 114.94 117.45 1kk5 s ASN 14 Ca 0.00 -0.15 0.16 0.00 0.21 0.00 0.00 52.86 53.08 1kk5 s ASN 14 Cb 0.00 -2.00 0.66 0.00 -0.55 0.00 0.00 41.25 39.36 1kk5 s ASN 14 CO 0.00 -0.05 1.57 0.29 -2.79 0.00 0.00 177.10 176.12 1kk5 n LYS 15 N 4.98 3.73 -0.13 0.43 5.02 -1.26 -4.49 118.16 126.43 1kk5 n LYS 15 Ca -0.15 -2.85 -0.22 0.00 -2.02 0.00 0.00 58.31 53.06 1kk5 n LYS 15 Cb 0.51 -1.90 -0.11 0.00 -0.02 0.00 0.00 35.03 33.52 1kk5 n LYS 15 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kk5 n SER 16 N 0.61 1.98 -4.73 4.39 2.88 -1.26 -4.81 113.62 112.67 1kk5 n SER 16 Ca 0.24 0.06 -0.39 0.00 -1.33 0.00 0.00 58.87 57.45 1kk5 n SER 16 Cb 0.91 -0.59 -0.05 0.00 -0.75 0.00 0.00 64.21 63.73 1kk5 n SER 16 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1kk5 s VAL 17 N -2.51 5.02 -0.08 2.46 1.01 -1.26 -0.79 120.40 124.25 1kk5 s VAL 17 Ca -0.36 1.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.87 1kk5 s VAL 17 Cb 0.11 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1kk5 s VAL 17 CO 0.57 0.32 0.20 0.00 0.00 0.00 0.00 175.10 176.18 1kk5 s GLN 18 N 0.46 0.22 -0.04 2.72 -2.07 -0.86 -4.55 119.66 115.54 1kk5 s GLN 18 Ca 0.34 0.30 -0.30 0.00 -1.82 0.00 0.00 55.36 53.88 1kk5 s GLN 18 Cb -0.17 0.07 -0.03 0.00 -1.09 0.00 0.00 33.01 31.78 1kk5 s GLN 18 CO 0.17 -0.05 1.17 -0.06 -1.32 0.00 0.00 175.29 175.20 1kk5 s PHE 19 N 0.27 3.29 0.22 9.60 2.99 0.02 -0.52 117.98 133.86 1kk5 s PHE 19 Ca -0.01 1.30 -0.06 0.00 0.00 0.00 0.00 56.93 58.15 1kk5 s PHE 19 Cb -0.03 -3.38 0.20 0.00 0.00 0.00 0.00 43.02 39.81 1kk5 s PHE 19 CO -0.01 -1.12 1.75 0.82 -0.00 0.00 0.00 175.22 176.66 1kk5 h ILE 20 N 4.92 1.25 0.51 0.64 2.04 -1.72 -3.33 117.51 121.82 1kk5 h ILE 20 Ca -0.35 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 1kk5 h ILE 20 Cb 1.17 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1kk5 h ILE 20 CO 0.86 0.36 -0.28 0.50 0.00 0.00 0.00 178.15 179.59 1kk5 h LYS 21 N 0.99 -0.71 0.00 2.37 3.64 -1.79 -0.06 116.57 121.02 1kk5 h LYS 21 Ca 0.21 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1kk5 h LYS 21 Cb 0.36 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1kk5 h LYS 21 CO 0.00 -0.47 0.00 -0.35 -2.27 0.00 0.00 179.45 176.36 1kk5 n PRO 22 N -5.42 0.01 -0.06 1.90 -0.04 -1.26 -0.55 135.00 129.59 1kk5 n PRO 22 Ca -0.12 0.41 -0.22 0.00 -0.04 0.00 0.00 63.50 63.53 1kk5 n PRO 22 Cb 0.32 -1.53 -0.13 0.00 -0.04 0.00 0.00 33.50 32.12 1kk5 n PRO 22 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1kk5 n ILE 23 N -1.55 1.65 0.60 0.52 5.41 -0.82 -4.53 119.36 120.63 1kk5 n ILE 23 Ca 0.01 -0.38 0.11 0.00 1.00 0.00 0.00 62.75 63.49 1kk5 n ILE 23 Cb 0.07 -1.84 0.06 0.00 -0.71 0.00 0.00 39.64 37.21 1kk5 n ILE 23 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1kk5 n LEU 24 N -3.90 0.63 -0.30 1.39 4.77 -0.10 -4.32 117.00 115.17 1kk5 n LEU 24 Ca -0.35 0.02 0.18 0.00 -0.03 0.00 0.00 56.01 55.82 1kk5 n LEU 24 Cb 0.89 -0.12 0.44 0.00 -2.33 0.00 0.00 43.42 42.30 1kk5 n LEU 24 CO 0.29 0.03 1.21 -0.08 -1.33 0.00 0.00 177.39 177.52 1kk5 h GLU 25 N 0.00 0.52 -0.00 3.23 4.81 -1.06 0.32 114.58 122.40 1kk5 h GLU 25 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1kk5 h GLU 25 Cb 0.72 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 1kk5 h GLU 25 CO 0.00 0.34 0.02 0.87 -0.73 0.00 0.00 179.01 179.51 1kk5 h LYS 26 N 0.53 0.00 -7.37 1.92 1.79 -1.84 -3.43 116.57 108.18 1kk5 h LYS 26 Ca 0.53 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.53 1kk5 h LYS 26 Cb 1.14 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.86 1kk5 h LYS 26 CO -0.27 0.00 0.30 -0.51 -1.08 0.00 0.00 179.45 177.90 1kk5 s LEU 27 N -6.40 2.89 -0.04 2.94 1.43 0.11 -5.09 118.68 114.53 1kk5 s LEU 27 Ca -0.05 0.79 0.04 0.00 -1.03 0.00 0.00 54.13 53.87 1kk5 s LEU 27 Cb 0.13 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 1kk5 s LEU 27 CO 0.43 -1.44 -0.13 -0.70 0.23 0.00 0.00 176.35 174.73 1kk5 s GLU 28 N -5.28 2.49 -0.61 1.70 2.12 -1.26 -4.52 118.70 113.34 1kk5 s GLU 28 Ca 0.58 -0.71 -0.00 0.00 0.36 0.00 0.00 54.97 55.20 1kk5 s GLU 28 Cb -0.11 -2.39 0.00 0.00 0.26 0.00 0.00 34.13 31.89 1kk5 s GLU 28 CO 0.48 0.62 0.02 0.09 -0.54 0.00 0.00 175.26 175.93 1kk5 n ASN 29 N 2.17 -2.75 -3.77 -1.70 3.02 -1.26 -4.93 115.26 106.04 1kk5 n ASN 29 Ca -0.17 -0.02 -0.18 0.00 -0.03 0.00 0.00 54.58 54.18 1kk5 n ASN 29 Cb 0.52 -2.04 -0.17 0.00 -0.61 0.00 0.00 39.78 37.48 1kk5 n ASN 29 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kk5 s VAL 30 N -2.40 0.11 -0.09 2.41 1.01 -1.26 -1.99 120.40 118.19 1kk5 s VAL 30 Ca 0.01 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.22 1kk5 s VAL 30 Cb -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.12 1kk5 s VAL 30 CO 0.01 0.17 -0.22 -1.61 0.00 0.00 0.00 175.10 173.45 1kk5 s GLU 31 N 1.48 2.75 0.02 2.72 2.02 -0.62 -4.86 118.70 122.21 1kk5 s GLU 31 Ca -0.04 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.19 1kk5 s GLU 31 Cb -0.13 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 31.97 1kk5 s GLU 31 CO -0.03 0.16 -0.08 0.08 0.02 0.00 0.00 175.26 175.41 1kk5 s VAL 32 N 0.37 0.64 0.60 2.63 1.01 -1.25 -1.14 120.40 123.25 1kk5 s VAL 32 Ca -0.17 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 1kk5 s VAL 32 Cb -0.17 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1kk5 s VAL 32 CO 0.08 -0.09 1.03 -0.83 0.00 0.00 0.00 175.10 175.29 1kk5 s GLY 33 N -0.91 1.88 0.11 4.51 0.00 0.57 -4.88 107.32 108.60 1kk5 s GLY 33 Ca -0.02 0.14 -0.27 0.00 0.00 0.00 0.00 44.72 44.56 1kk5 s GLY 33 CO 0.00 0.43 1.64 0.83 0.00 0.00 0.00 173.10 176.00 1kk5 h GLU 34 N 0.12 -0.44 -0.59 2.90 4.39 -1.91 -3.26 114.58 115.79 1kk5 h GLU 34 Ca -0.45 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1kk5 h GLU 34 Cb 1.20 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1kk5 h GLU 34 CO 0.60 -0.29 0.00 0.66 -1.16 0.00 0.00 179.01 178.81 1kk5 n TYR 35 N -5.37 1.09 -1.92 4.33 4.02 -1.26 -4.79 117.16 113.26 1kk5 n TYR 35 Ca -0.06 -0.57 -0.42 0.00 -0.01 0.00 0.00 57.90 56.83 1kk5 n TYR 35 Cb 0.28 -0.13 -0.03 0.00 -0.02 0.00 0.00 39.34 39.45 1kk5 n TYR 35 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1kk5 s SER 36 N -1.03 6.57 0.24 7.72 0.01 -1.23 -4.36 113.70 121.62 1kk5 s SER 36 Ca 0.44 2.65 0.09 0.00 1.31 0.00 0.00 55.95 60.44 1kk5 s SER 36 Cb 0.27 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 1kk5 s SER 36 CO 0.25 -0.83 -0.15 -0.72 0.41 0.00 0.00 173.24 172.20 1kk5 s TYR 37 N 1.06 1.94 -0.09 2.43 -0.85 -0.42 -1.96 117.35 119.45 1kk5 s TYR 37 Ca 0.70 -0.52 0.02 0.00 -0.52 0.00 0.00 57.07 56.75 1kk5 s TYR 37 Cb -0.44 -0.92 0.01 0.00 0.38 0.00 0.00 41.96 40.99 1kk5 s TYR 37 CO 0.32 0.46 -0.17 -0.47 -1.52 0.00 0.00 175.55 174.18 1kk5 s TYR 38 N -2.83 1.98 -0.99 -3.49 5.04 0.33 -1.95 117.35 115.42 1kk5 s TYR 38 Ca 0.26 -0.85 -0.18 0.00 -2.44 0.00 0.00 57.07 53.86 1kk5 s TYR 38 Cb -0.01 -1.40 0.14 0.00 0.35 0.00 0.00 41.96 41.04 1kk5 s TYR 38 CO 0.10 -0.41 1.20 0.34 -1.34 0.00 0.00 175.55 175.44 1kk5 s ASP 39 N 0.74 6.73 0.21 4.32 -1.08 -0.35 -2.03 116.67 125.21 1kk5 s ASP 39 Ca -0.12 -2.26 -0.29 0.00 -0.52 0.00 0.00 52.55 49.37 1kk5 s ASP 39 Cb -0.16 -2.40 -0.16 0.00 -1.46 0.00 0.00 42.92 38.74 1kk5 s ASP 39 CO 0.02 -0.99 0.71 -0.24 0.52 0.00 0.00 175.17 175.19 1kk5 n SER 40 N 6.35 -0.35 -0.05 -0.34 2.88 0.03 -2.66 113.62 119.49 1kk5 n SER 40 Ca 0.27 1.15 -0.01 0.00 -1.33 0.00 0.00 58.87 58.95 1kk5 n SER 40 Cb 0.48 -1.06 -0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1kk5 n SER 40 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1kk5 h LYS 41 N 1.48 0.00 -0.00 -1.46 1.63 -1.89 -3.41 116.57 112.93 1kk5 h LYS 41 Ca -0.33 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.47 1kk5 h LYS 41 Cb 1.41 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.03 1kk5 h LYS 41 CO 0.59 0.00 -0.51 0.09 -3.45 0.00 0.00 179.45 176.17 1kk5 n ASN 42 N -4.49 1.71 0.00 4.20 3.02 -1.26 -4.94 115.26 113.50 1kk5 n ASN 42 Ca -0.01 -3.89 0.00 0.00 -0.03 0.00 0.00 54.58 50.64 1kk5 n ASN 42 Cb 0.05 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 1kk5 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kk5 n GLY 43 N -1.11 1.01 3.78 7.41 0.00 -1.26 -5.05 105.19 109.98 1kk5 n GLY 43 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1kk5 n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kk5 s GLU 44 N -0.43 3.81 0.30 1.61 1.03 -1.26 -4.98 118.70 118.79 1kk5 s GLU 44 Ca 0.00 1.57 -0.26 0.00 0.03 0.00 0.00 54.97 56.31 1kk5 s GLU 44 Cb 0.00 -2.30 -0.10 0.00 -0.80 0.00 0.00 34.13 30.93 1kk5 s GLU 44 CO 0.00 -0.46 0.93 0.95 -1.33 0.00 0.00 175.26 175.35 1kk5 s THR 45 N -1.72 4.21 0.51 1.83 -4.23 -1.26 -4.72 115.64 110.26 1kk5 s THR 45 Ca 0.64 1.84 0.35 0.00 -1.18 0.00 0.00 61.69 63.34 1kk5 s THR 45 Cb -0.23 -4.05 0.55 0.00 1.34 0.00 0.00 72.50 70.10 1kk5 s THR 45 CO 0.28 0.20 1.75 0.15 -0.54 0.00 0.00 174.62 176.46 1kk5 h PHE 46 N 3.35 0.17 -0.04 3.99 3.57 -1.96 -1.38 116.94 124.64 1kk5 h PHE 46 Ca -0.47 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.05 1kk5 h PHE 46 Cb 1.19 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 1kk5 h PHE 46 CO 0.62 -0.01 0.09 0.38 -2.23 0.00 0.00 178.31 177.16 1kk5 h ASP 47 N 0.08 0.00 1.41 0.41 2.03 -1.93 0.16 116.42 118.58 1kk5 h ASP 47 Ca 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.95 1kk5 h ASP 47 Cb 2.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.89 1kk5 h ASP 47 CO -0.10 0.00 0.00 0.11 -1.03 0.00 0.00 179.24 178.22 1kk5 h LYS 48 N 0.00 0.00 -0.01 4.15 1.79 -1.63 -3.22 116.57 117.65 1kk5 h LYS 48 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1kk5 h LYS 48 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1kk5 h LYS 48 CO -0.00 0.00 -0.12 1.04 -1.08 0.00 0.00 179.45 179.29 1kk5 n GLN 49 N -2.66 0.99 -3.68 3.15 1.13 0.57 -4.75 117.38 112.12 1kk5 n GLN 49 Ca 0.04 -0.46 -0.38 0.00 -1.94 0.00 0.00 57.00 54.25 1kk5 n GLN 49 Cb 0.40 -1.49 -0.12 0.00 0.11 0.00 0.00 30.24 29.14 1kk5 n GLN 49 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1kk5 s ILE 50 N -2.33 4.42 0.21 5.09 1.01 -1.22 -1.54 121.20 126.84 1kk5 s ILE 50 Ca 0.31 -0.50 0.09 0.00 0.00 0.00 0.00 60.65 60.55 1kk5 s ILE 50 Cb 0.20 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1kk5 s ILE 50 CO 0.45 0.07 -0.08 -0.76 0.00 0.00 0.00 174.94 174.62 1kk5 s LEU 51 N 1.58 3.00 -1.52 2.97 1.43 -0.15 -4.69 118.68 121.30 1kk5 s LEU 51 Ca 0.04 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 1kk5 s LEU 51 Cb -0.17 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.50 1kk5 s LEU 51 CO 0.05 0.07 0.94 -1.22 0.23 0.00 0.00 176.35 176.43 1kk5 n TYR 52 N -0.25 -2.28 -3.49 0.29 4.02 -1.26 -0.09 117.16 114.11 1kk5 n TYR 52 Ca -0.09 0.86 -0.42 0.00 -0.01 0.00 0.00 57.90 58.24 1kk5 n TYR 52 Cb 0.57 -3.95 -0.07 0.00 -0.02 0.00 0.00 39.34 35.86 1kk5 n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1kk5 s HIS 53 N -3.27 3.39 -0.18 -0.72 2.46 -1.26 -0.35 115.29 115.37 1kk5 s HIS 53 Ca 0.64 -1.76 -0.05 0.00 0.47 0.00 0.00 55.06 54.35 1kk5 s HIS 53 Cb -0.32 -3.58 -0.03 0.00 -0.13 0.00 0.00 32.58 28.52 1kk5 s HIS 53 CO 0.78 -1.00 0.01 0.71 -2.47 0.00 0.00 174.74 172.78 1kk5 s TYR 54 N 1.35 3.10 0.66 3.88 4.12 -1.26 -5.00 117.35 124.19 1kk5 s TYR 54 Ca 0.06 -0.25 0.41 0.00 0.02 0.00 0.00 57.07 57.31 1kk5 s TYR 54 Cb -0.26 -2.05 2.28 0.00 -1.52 0.00 0.00 41.96 40.40 1kk5 s TYR 54 CO -0.00 -0.07 2.31 -1.00 0.02 0.00 0.00 175.55 176.81 1kk5 h PRO 55 N 7.07 0.00 0.00 -1.71 0.13 -1.94 -1.92 132.00 133.63 1kk5 h PRO 55 Ca -0.35 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.70 1kk5 h PRO 55 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1kk5 h PRO 55 CO 0.64 0.00 -0.41 0.97 -0.23 0.00 0.00 178.00 178.96 1kk5 h ILE 56 N 0.00 1.08 0.00 -3.56 2.10 -1.99 -2.25 117.51 112.89 1kk5 h ILE 56 Ca 0.00 -1.54 0.00 0.00 1.08 0.00 0.00 64.86 64.40 1kk5 h ILE 56 Cb 0.08 1.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 1kk5 h ILE 56 CO -0.00 0.41 -0.13 0.18 -1.08 0.00 0.00 178.15 177.52 1kk5 n LEU 57 N -3.72 0.14 -3.66 2.19 4.77 -0.72 -4.94 117.00 111.05 1kk5 n LEU 57 Ca -0.01 0.37 -0.28 0.00 -0.03 0.00 0.00 56.01 56.06 1kk5 n LEU 57 Cb 0.49 -0.43 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1kk5 n LEU 57 CO 0.38 0.03 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.26 1kk5 n ASN 58 N -1.51 -3.86 -4.82 -1.43 5.15 -0.85 -4.97 115.26 102.98 1kk5 n ASN 58 Ca 0.07 -0.60 -0.38 0.00 -0.60 0.00 0.00 54.58 53.07 1kk5 n ASN 58 Cb 0.34 -3.16 -0.06 0.00 -0.53 0.00 0.00 39.78 36.37 1kk5 n ASN 58 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1kk5 s ASP 59 N -2.95 6.67 0.13 1.20 -4.77 -1.26 -5.02 116.67 110.67 1kk5 s ASP 59 Ca 0.53 0.80 0.05 0.00 -3.30 0.00 0.00 52.55 50.63 1kk5 s ASP 59 Cb -0.28 -2.21 -0.04 0.00 -1.09 0.00 0.00 42.92 39.30 1kk5 s ASP 59 CO 0.65 0.29 0.05 -0.54 0.70 0.00 0.00 175.17 176.32 1kk5 s LYS 60 N -0.73 2.67 -0.11 2.11 1.02 -1.26 -4.92 119.74 118.51 1kk5 s LYS 60 Ca 0.21 -0.90 0.02 0.00 0.02 0.00 0.00 55.97 55.33 1kk5 s LYS 60 Cb -0.15 -2.55 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1kk5 s LYS 60 CO 0.10 0.50 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.67 1kk5 s LEU 61 N -2.73 2.36 -0.01 3.17 2.96 -0.84 -1.39 118.68 122.20 1kk5 s LEU 61 Ca 0.28 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1kk5 s LEU 61 Cb -0.11 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 1kk5 s LEU 61 CO 0.20 0.17 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.70 1kk5 s LYS 62 N 0.27 1.37 -0.02 1.98 1.02 0.14 -1.59 119.74 122.90 1kk5 s LYS 62 Ca -0.14 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.21 1kk5 s LYS 62 Cb -0.17 -1.34 0.03 0.00 -0.52 0.00 0.00 37.83 35.84 1kk5 s LYS 62 CO 0.07 0.36 0.03 0.42 -0.92 0.00 0.00 175.35 175.31 1kk5 s ILE 63 N -0.45 -0.06 0.00 2.17 1.01 -0.30 0.54 121.20 124.11 1kk5 s ILE 63 Ca 0.06 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1kk5 s ILE 63 Cb -0.07 -0.08 0.00 0.00 0.01 0.00 0.00 42.46 42.32 1kk5 s ILE 63 CO -0.00 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1kk5 n GLY 64 N 4.15 -0.40 3.91 6.18 0.00 -0.51 -0.32 105.19 118.20 1kk5 n GLY 64 Ca -0.27 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 1kk5 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kk5 s LYS 65 N -1.81 3.07 -1.49 1.61 1.02 -1.26 -2.93 119.74 117.95 1kk5 s LYS 65 Ca 0.00 0.17 -0.09 0.00 0.02 0.00 0.00 55.97 56.07 1kk5 s LYS 65 Cb 0.00 -2.23 0.06 0.00 -0.52 0.00 0.00 37.83 35.14 1kk5 s LYS 65 CO 0.00 -0.66 0.75 1.19 -0.92 0.00 0.00 175.35 175.71 1kk5 n PHE 66 N -2.61 -1.96 -4.00 3.18 3.01 -1.26 -1.61 117.46 112.21 1kk5 n PHE 66 Ca 0.04 0.83 -0.36 0.00 1.01 0.00 0.00 57.45 58.97 1kk5 n PHE 66 Cb 0.57 -3.81 -0.07 0.00 -0.01 0.00 0.00 39.48 36.16 1kk5 n PHE 66 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1kk5 s SER 68 N -0.87 5.54 -0.24 0.00 0.01 -0.30 -1.31 113.70 116.52 1kk5 s SER 68 Ca 0.14 -1.16 -0.06 0.00 1.31 0.00 0.00 55.95 56.18 1kk5 s SER 68 Cb -0.12 -1.95 -0.02 0.00 0.21 0.00 0.00 66.02 64.14 1kk5 s SER 68 CO 0.03 -0.39 0.04 -0.63 0.41 0.00 0.00 173.24 172.70 1kk5 s ILE 69 N 1.46 4.00 1.01 1.44 1.01 -0.82 -1.24 121.20 128.07 1kk5 s ILE 69 Ca 0.01 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.22 1kk5 s ILE 69 Cb -0.20 -2.87 0.20 0.00 0.01 0.00 0.00 42.46 39.60 1kk5 s ILE 69 CO 0.04 0.35 1.13 -0.83 0.00 0.00 0.00 174.94 175.63 1kk5 s GLY 70 N 1.57 1.58 0.39 6.18 0.00 0.24 -1.21 107.32 116.07 1kk5 s GLY 70 Ca 0.06 -0.61 -0.24 0.00 0.00 0.00 0.00 44.72 43.93 1kk5 s GLY 70 CO 0.01 0.06 1.05 2.56 0.00 0.00 0.00 173.10 176.78 1kk5 s PRO 71 N -5.23 4.21 0.00 2.90 0.04 -1.09 -3.63 135.00 132.20 1kk5 s PRO 71 Ca 0.67 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1kk5 s PRO 71 Cb -0.14 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1kk5 s PRO 71 CO 0.55 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.90 1kk5 n GLY 72 N 0.41 2.35 3.65 0.56 0.00 -1.26 -1.02 105.19 109.88 1kk5 n GLY 72 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 1kk5 n GLY 72 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kk5 n VAL 73 N -2.00 1.11 -4.36 1.61 0.31 -1.24 -4.20 118.33 109.56 1kk5 n VAL 73 Ca 0.00 -0.28 -0.26 0.00 -0.01 0.00 0.00 64.34 63.79 1kk5 n VAL 73 Cb 0.00 -1.36 -0.17 0.00 -0.91 0.00 0.00 33.84 31.40 1kk5 n VAL 73 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1kk5 s THR 74 N -0.24 1.16 -0.27 2.52 2.01 0.68 -4.83 115.64 116.67 1kk5 s THR 74 Ca 0.67 -0.45 -0.06 0.00 0.31 0.00 0.00 61.69 62.16 1kk5 s THR 74 Cb -0.67 -1.09 -0.00 0.00 0.01 0.00 0.00 72.50 70.74 1kk5 s THR 74 CO 0.52 0.37 0.05 -0.63 -0.69 0.00 0.00 174.62 174.24 1kk5 s ILE 75 N 1.03 3.87 -0.24 1.82 1.01 -0.59 0.64 121.20 128.74 1kk5 s ILE 75 Ca -0.07 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 1kk5 s ILE 75 Cb -0.15 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 1kk5 s ILE 75 CO -0.01 0.19 0.15 -0.63 0.00 0.00 0.00 174.94 174.65 1kk5 s ILE 76 N 1.51 5.25 0.06 2.92 1.01 -0.52 -0.98 121.20 130.44 1kk5 s ILE 76 Ca 0.04 0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.83 1kk5 s ILE 76 Cb -0.16 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.87 1kk5 s ILE 76 CO 0.01 0.33 0.08 0.23 0.00 0.00 0.00 174.94 175.60 1kk5 n MET 77 N 4.42 0.48 0.00 2.79 2.81 0.88 -2.84 117.12 125.66 1kk5 n MET 77 Ca -0.15 -0.20 0.15 0.00 -1.81 0.00 0.00 57.70 55.69 1kk5 n MET 77 Cb 0.52 -0.06 0.71 0.00 -0.71 0.00 0.00 33.22 33.69 1kk5 n MET 77 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1kk5 n ASN 78 N -3.00 0.33 -0.13 7.83 3.02 -1.24 -4.14 115.26 117.93 1kk5 n ASN 78 Ca 0.01 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 1kk5 n ASN 78 Cb 0.04 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1kk5 n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kk5 n GLY 79 N 1.21 -0.20 0.00 7.41 0.00 0.53 -2.60 105.19 111.54 1kk5 n GLY 79 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1kk5 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kk5 n ALA 80 N -0.31 2.50 -1.77 4.61 0.00 -1.26 -4.93 120.51 119.36 1kk5 n ALA 80 Ca 0.00 -0.12 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 1kk5 n ALA 80 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 1kk5 n ALA 80 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1kk5 s ASN 81 N -1.52 6.41 0.17 0.00 0.01 -1.07 -5.03 114.94 113.91 1kk5 s ASN 81 Ca 0.01 2.47 0.05 0.00 -0.71 0.00 0.00 52.86 54.68 1kk5 s ASN 81 Cb 0.03 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1kk5 s ASN 81 CO 0.17 -0.76 0.16 -1.00 -1.51 0.00 0.00 177.10 174.16 1kk5 s HIS 82 N -1.35 3.18 0.60 2.20 3.76 -1.26 -4.90 115.29 117.52 1kk5 s HIS 82 Ca 0.57 -0.01 -0.19 0.00 -0.15 0.00 0.00 55.06 55.28 1kk5 s HIS 82 Cb -0.34 -1.52 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 1kk5 s HIS 82 CO 0.43 0.52 1.29 0.50 -0.85 0.00 0.00 174.74 176.63 1kk5 s ARG 83 N -3.20 2.83 0.00 1.40 3.52 -1.26 -4.66 118.95 117.58 1kk5 s ARG 83 Ca 0.31 2.06 0.05 0.00 -0.13 0.00 0.00 55.73 58.02 1kk5 s ARG 83 Cb -0.10 -1.99 0.08 0.00 -1.56 0.00 0.00 34.95 31.38 1kk5 s ARG 83 CO 0.24 -1.38 0.95 0.00 -0.81 0.00 0.00 175.30 174.30 1kk5 n MET 84 N -1.56 0.00 0.08 5.12 0.00 -1.26 -4.21 117.12 115.29 1kk5 n MET 84 Ca 0.14 -1.02 0.13 0.00 0.00 0.00 0.00 57.70 56.94 1kk5 n MET 84 Cb 0.48 -0.29 0.46 0.00 0.00 0.00 0.00 33.22 33.87 1kk5 n MET 84 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1kk5 n ASP 85 N 0.09 0.55 0.00 3.17 5.75 -1.26 -4.84 116.55 120.01 1kk5 n ASP 85 Ca -0.00 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.35 1kk5 n ASP 85 Cb 0.75 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1kk5 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kk5 n GLY 86 N 1.01 3.47 3.77 6.12 0.00 -1.26 -5.13 105.19 113.17 1kk5 n GLY 86 Ca 0.05 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1kk5 n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kk5 s SER 87 N 1.60 6.28 0.00 1.61 0.15 -1.26 -4.91 113.70 117.16 1kk5 s SER 87 Ca 0.00 2.46 0.25 0.00 0.70 0.00 0.00 55.95 59.36 1kk5 s SER 87 Cb 0.00 -2.62 0.56 0.00 -1.71 0.00 0.00 66.02 62.25 1kk5 s SER 87 CO 0.00 -0.86 1.45 0.35 1.20 0.00 0.00 173.24 175.38 1kk5 n THR 88 N -0.14 0.00 -2.10 6.45 -2.24 -1.26 -4.54 114.28 110.45 1kk5 n THR 88 Ca 0.05 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1kk5 n THR 88 Cb 0.46 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 1kk5 n THR 88 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1kk5 s TYR 89 N -2.53 2.84 -1.32 4.78 5.04 -1.26 -4.74 117.35 120.16 1kk5 s TYR 89 Ca 0.22 0.69 -0.15 0.00 -2.44 0.00 0.00 57.07 55.38 1kk5 s TYR 89 Cb 0.19 -3.78 0.09 0.00 0.35 0.00 0.00 41.96 38.81 1kk5 s TYR 89 CO 0.55 -2.94 1.80 -0.35 -1.34 0.00 0.00 175.55 173.27 1kk5 n PRO 90 N 4.98 3.19 -0.17 4.97 -0.04 -1.26 -4.82 135.00 141.85 1kk5 n PRO 90 Ca 0.14 -3.26 -0.02 0.00 -0.04 0.00 0.00 63.50 60.32 1kk5 n PRO 90 Cb 0.42 -3.31 0.08 0.00 -0.04 0.00 0.00 33.50 30.64 1kk5 n PRO 90 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1kk5 h PHE 91 N 6.97 0.21 -0.91 0.54 -1.00 -1.93 -2.84 116.94 117.99 1kk5 h PHE 91 Ca 0.45 0.03 0.14 0.00 2.81 0.00 0.00 57.97 61.39 1kk5 h PHE 91 Cb 0.80 -0.02 -0.07 0.00 3.61 0.00 0.00 35.95 40.27 1kk5 h PHE 91 CO 1.36 0.02 0.58 -2.95 -1.61 0.00 0.00 178.31 175.71 1kk5 h ASN 92 N 0.28 0.71 -0.93 2.17 7.08 -1.83 -2.88 115.58 120.18 1kk5 h ASN 92 Ca 0.26 0.04 0.16 0.00 -3.08 0.00 0.00 56.30 53.68 1kk5 h ASN 92 Cb 0.35 -0.10 -0.08 0.00 -2.08 0.00 0.00 38.32 36.41 1kk5 h ASN 92 CO -0.32 0.36 0.59 0.25 -2.08 0.00 0.00 177.43 176.23 1kk5 h LEU 93 N 0.75 0.67 0.00 6.14 5.85 -1.85 -1.37 115.31 125.51 1kk5 h LEU 93 Ca 0.45 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1kk5 h LEU 93 Cb 0.66 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1kk5 h LEU 93 CO -0.22 0.31 0.00 0.49 -0.34 0.00 0.00 178.44 178.68 1kk5 n PHE 94 N -4.59 0.00 -2.81 1.25 3.01 -1.09 -5.00 117.46 108.23 1kk5 n PHE 94 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1kk5 n PHE 94 Cb 0.52 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1kk5 n PHE 94 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kk5 n GLY 95 N 1.18 1.88 3.80 1.37 0.00 -0.51 -4.88 105.19 108.03 1kk5 n GLY 95 Ca 0.13 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1kk5 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kk5 n ASN 96 N -1.16 -1.56 0.00 1.61 3.02 -1.26 -2.02 115.26 113.89 1kk5 n ASN 96 Ca 0.00 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1kk5 n ASN 96 Cb 0.00 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.38 1kk5 n ASN 96 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kk5 n GLY 97 N -1.68 2.60 0.18 7.41 0.00 -1.26 -4.90 105.19 107.54 1kk5 n GLY 97 Ca -0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.85 1kk5 n GLY 97 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1kk5 h TRP 98 N 0.00 0.00 -1.31 1.61 6.55 -1.72 -3.31 115.95 117.78 1kk5 h TRP 98 Ca 0.00 0.00 0.38 0.00 0.95 0.00 0.00 58.89 60.22 1kk5 h TRP 98 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.24 1kk5 h TRP 98 CO 0.00 0.21 0.93 0.93 -1.05 0.00 0.00 178.44 179.46 1kk5 h GLU 99 N 0.00 0.04 -0.30 0.49 3.07 -1.74 1.03 114.58 117.17 1kk5 h GLU 99 Ca -0.01 -0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.93 1kk5 h GLU 99 Cb 1.17 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 1kk5 h GLU 99 CO 0.03 0.03 0.45 0.87 -1.40 0.00 0.00 179.01 178.98 1kk5 h LYS 100 N 0.04 0.00 -0.52 2.33 1.57 -1.92 0.43 116.57 118.50 1kk5 h LYS 100 Ca 0.64 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.42 1kk5 h LYS 100 Cb 2.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.76 1kk5 h LYS 100 CO -0.06 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.54 1kk5 n HIS 101 N -3.42 0.74 -1.57 -1.35 8.25 0.36 -4.94 115.22 113.28 1kk5 n HIS 101 Ca 0.05 -0.32 -0.44 0.00 -0.26 0.00 0.00 57.72 56.75 1kk5 n HIS 101 Cb 0.59 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.59 1kk5 n HIS 101 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1kk5 n MET 102 N 0.61 1.24 -3.08 -0.41 0.00 0.15 -4.65 117.12 110.98 1kk5 n MET 102 Ca 0.14 0.44 -0.35 0.00 0.00 0.00 0.00 57.70 57.93 1kk5 n MET 102 Cb 0.48 -1.81 -0.06 0.00 0.00 0.00 0.00 33.22 31.82 1kk5 n MET 102 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1kk5 s PRO 103 N -1.60 4.23 0.70 2.12 0.04 -1.26 -5.05 135.00 134.18 1kk5 s PRO 103 Ca 0.60 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 1kk5 s PRO 103 Cb -0.68 -2.79 0.01 0.00 0.04 0.00 0.00 34.50 31.08 1kk5 s PRO 103 CO 0.59 0.34 1.07 0.15 0.04 0.00 0.00 177.00 179.19 1kk5 s LYS 104 N -2.17 2.89 0.19 4.56 1.02 -1.26 -4.95 119.74 120.03 1kk5 s LYS 104 Ca 0.46 0.68 -0.10 0.00 0.02 0.00 0.00 55.97 57.03 1kk5 s LYS 104 Cb -0.16 -2.01 0.12 0.00 -0.52 0.00 0.00 37.83 35.27 1kk5 s LYS 104 CO 0.20 -1.06 1.75 -0.07 -0.92 0.00 0.00 175.35 175.26 1kk5 h LEU 105 N -0.68 0.97 0.00 3.17 3.38 -1.97 -2.04 115.31 118.15 1kk5 h LEU 105 Ca -0.45 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1kk5 h LEU 105 Cb 1.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1kk5 h LEU 105 CO 0.61 0.88 0.00 -0.90 0.09 0.00 0.00 178.44 179.12 1kk5 n ASP 106 N -4.36 0.00 -0.04 -0.43 5.68 -1.26 -1.80 116.55 114.33 1kk5 n ASP 106 Ca 0.05 -0.24 -0.04 0.00 -0.50 0.00 0.00 54.79 54.06 1kk5 n ASP 106 Cb 0.18 -0.11 -0.14 0.00 -1.14 0.00 0.00 41.12 39.91 1kk5 n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kk5 n GLN 107 N -1.11 0.66 -2.52 0.11 6.02 -0.77 -4.86 117.38 114.90 1kk5 n GLN 107 Ca 0.09 0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.73 1kk5 n GLN 107 Cb 0.07 -1.64 -0.03 0.00 1.02 0.00 0.00 30.24 29.66 1kk5 n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1kk5 s LEU 108 N -5.52 4.31 -0.00 1.08 1.43 -0.74 -4.71 118.68 114.52 1kk5 s LEU 108 Ca -0.07 1.80 -0.30 0.00 -1.03 0.00 0.00 54.13 54.53 1kk5 s LEU 108 Cb 0.08 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 1kk5 s LEU 108 CO 0.84 -0.48 1.08 -2.16 0.23 0.00 0.00 176.35 175.86 1kk5 s PRO 109 N 1.68 4.48 -0.16 1.29 0.04 -1.26 -5.00 135.00 136.06 1kk5 s PRO 109 Ca 0.55 1.56 0.01 0.00 0.04 0.00 0.00 61.00 63.15 1kk5 s PRO 109 Cb -0.24 -3.45 0.02 0.00 0.04 0.00 0.00 34.50 30.87 1kk5 s PRO 109 CO 0.24 -0.20 -0.16 0.42 0.04 0.00 0.00 177.00 177.34 1kk5 s ILE 110 N 1.31 1.72 0.26 0.56 1.01 -1.26 -4.86 121.20 119.93 1kk5 s ILE 110 Ca 0.54 -0.73 0.15 0.00 0.00 0.00 0.00 60.65 60.61 1kk5 s ILE 110 Cb -0.24 -1.59 0.08 0.00 0.01 0.00 0.00 42.46 40.72 1kk5 s ILE 110 CO 0.26 0.48 1.73 0.11 0.00 0.00 0.00 174.94 177.52 1kk5 h LYS 111 N 8.02 0.00 0.00 2.79 1.57 -1.96 -3.49 116.57 123.50 1kk5 h LYS 111 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1kk5 h LYS 111 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1kk5 h LYS 111 CO 0.56 0.45 0.00 0.41 -0.57 0.00 0.00 179.45 180.30 1kk5 n GLY 112 N 0.04 0.49 3.82 3.86 0.00 -1.26 -4.72 105.19 107.42 1kk5 n GLY 112 Ca -0.01 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.47 1kk5 n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kk5 s ASP 113 N -4.00 6.34 -0.22 1.61 1.01 -1.26 -3.58 116.67 116.57 1kk5 s ASP 113 Ca 0.00 1.69 -0.05 0.00 0.71 0.00 0.00 52.55 54.90 1kk5 s ASP 113 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1kk5 s ASP 113 CO 0.00 -0.78 0.01 -0.89 0.21 0.00 0.00 175.17 173.72 1kk5 s THR 114 N -2.48 3.89 -0.16 -1.27 2.01 -0.49 -3.55 115.64 113.58 1kk5 s THR 114 Ca 0.61 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.29 1kk5 s THR 114 Cb -0.12 -2.78 0.04 0.00 0.01 0.00 0.00 72.50 69.64 1kk5 s THR 114 CO 0.31 0.40 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.94 1kk5 s ILE 115 N 1.36 1.22 -0.25 1.82 1.01 -0.23 0.25 121.20 126.38 1kk5 s ILE 115 Ca 0.05 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 1kk5 s ILE 115 Cb -0.15 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 1kk5 s ILE 115 CO 0.01 0.18 0.09 -0.63 0.00 0.00 0.00 174.94 174.59 1kk5 s ILE 116 N 1.59 4.46 0.00 2.92 1.01 0.19 -1.41 121.20 129.97 1kk5 s ILE 116 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1kk5 s ILE 116 Cb -0.15 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1kk5 s ILE 116 CO -0.08 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1kk5 n GLY 117 N 4.88 -3.11 3.97 6.18 0.00 0.66 -1.42 105.19 116.35 1kk5 n GLY 117 Ca -0.16 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 1kk5 n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kk5 s ASN 118 N -1.85 5.94 -1.66 1.61 0.01 -1.26 -2.94 114.94 114.78 1kk5 s ASN 118 Ca 0.00 0.01 -0.13 0.00 -0.71 0.00 0.00 52.86 52.03 1kk5 s ASN 118 Cb 0.00 -1.39 0.12 0.00 0.41 0.00 0.00 41.25 40.39 1kk5 s ASN 118 CO 0.00 -0.51 0.55 -0.67 -1.51 0.00 0.00 177.10 174.96 1kk5 n ASP 119 N -1.79 -1.72 -4.65 -1.22 2.03 -0.63 -0.77 116.55 107.79 1kk5 n ASP 119 Ca -0.00 -1.10 -0.35 0.00 0.52 0.00 0.00 54.79 53.86 1kk5 n ASP 119 Cb 0.58 -2.38 -0.10 0.00 -0.72 0.00 0.00 41.12 38.50 1kk5 n ASP 119 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1kk5 s VAL 120 N -3.59 4.46 -0.24 5.18 1.01 -1.25 -2.91 120.40 123.05 1kk5 s VAL 120 Ca 0.50 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 1kk5 s VAL 120 Cb -0.28 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1kk5 s VAL 120 CO 0.95 0.55 -0.00 0.86 0.00 0.00 0.00 175.10 177.46 1kk5 s TRP 121 N -0.35 3.02 -0.21 5.22 -0.00 -0.87 -1.15 118.94 124.59 1kk5 s TRP 121 Ca 0.08 -0.86 -0.00 0.00 -0.00 0.00 0.00 56.10 55.31 1kk5 s TRP 121 Cb -0.12 -2.15 0.02 0.00 -0.00 0.00 0.00 33.47 31.22 1kk5 s TRP 121 CO 0.02 -0.52 -0.14 0.42 -0.00 0.00 0.00 176.95 176.73 1kk5 s ILE 122 N 1.50 2.45 1.22 5.86 1.01 -0.37 -0.84 121.20 132.03 1kk5 s ILE 122 Ca 0.05 -0.96 -0.18 0.00 0.00 0.00 0.00 60.65 59.56 1kk5 s ILE 122 Cb -0.15 -2.14 0.29 0.00 0.01 0.00 0.00 42.46 40.47 1kk5 s ILE 122 CO -0.01 0.39 1.07 -0.83 0.00 0.00 0.00 174.94 175.56 1kk5 s GLY 123 N 1.31 1.54 0.47 6.18 0.00 -0.59 -0.60 107.32 115.64 1kk5 s GLY 123 Ca 0.03 -0.79 -0.24 0.00 0.00 0.00 0.00 44.72 43.72 1kk5 s GLY 123 CO -0.09 0.08 1.31 -1.59 0.00 0.00 0.00 173.10 172.80 1kk5 s LYS 124 N -5.21 3.62 -1.69 2.90 -2.85 -1.26 -3.57 119.74 111.69 1kk5 s LYS 124 Ca 0.70 2.13 0.00 0.00 -1.00 0.00 0.00 55.97 57.79 1kk5 s LYS 124 Cb -0.13 -2.51 0.00 0.00 -2.06 0.00 0.00 37.83 33.13 1kk5 s LYS 124 CO 0.57 -0.77 0.00 -0.25 0.10 0.00 0.00 175.35 175.01 1kk5 n ASP 125 N -0.41 -5.43 -4.79 0.03 8.00 -0.19 -0.65 116.55 113.10 1kk5 n ASP 125 Ca 0.07 0.09 -0.37 0.00 0.71 0.00 0.00 54.79 55.28 1kk5 n ASP 125 Cb 0.45 -4.58 -0.06 0.00 -0.02 0.00 0.00 41.12 36.91 1kk5 n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1kk5 s VAL 126 N -2.90 4.41 -0.19 2.53 1.01 -1.23 -3.97 120.40 120.05 1kk5 s VAL 126 Ca 0.00 1.56 -0.02 0.00 0.00 0.00 0.00 61.98 63.52 1kk5 s VAL 126 Cb 0.00 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 1kk5 s VAL 126 CO 0.00 0.30 -0.10 -0.69 0.00 0.00 0.00 175.10 174.61 1kk5 s VAL 127 N -1.42 3.01 -0.35 2.92 1.01 -0.22 -0.23 120.40 125.12 1kk5 s VAL 127 Ca 0.42 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1kk5 s VAL 127 Cb -0.19 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1kk5 s VAL 127 CO 0.24 0.47 0.21 -0.63 0.00 0.00 0.00 175.10 175.39 1kk5 s ILE 128 N 1.15 4.83 0.73 2.22 1.01 0.21 -1.11 121.20 130.25 1kk5 s ILE 128 Ca 0.01 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 1kk5 s ILE 128 Cb -0.14 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.79 1kk5 s ILE 128 CO -0.03 -0.09 1.08 -0.04 0.00 0.00 0.00 174.94 175.86 1kk5 s MET 129 N 1.63 2.57 0.53 2.79 -1.94 -0.47 -1.44 119.30 122.97 1kk5 s MET 129 Ca 0.04 1.11 -0.21 0.00 -1.71 0.00 0.00 55.69 54.92 1kk5 s MET 129 Cb -0.18 -1.94 -0.06 0.00 2.01 0.00 0.00 34.83 34.66 1kk5 s MET 129 CO 0.08 -1.40 1.16 -2.30 -0.01 0.00 0.00 175.02 172.55 1kk5 n PRO 130 N -3.25 1.38 -3.41 2.03 -0.02 -1.13 -3.99 135.00 126.62 1kk5 n PRO 130 Ca 0.09 0.51 -0.19 0.00 -2.02 0.00 0.00 63.50 61.89 1kk5 n PRO 130 Cb 0.53 -2.33 0.08 0.00 -0.02 0.00 0.00 33.50 31.76 1kk5 n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kk5 n GLY 131 N 1.02 -0.36 3.57 -1.23 0.00 -1.23 -4.85 105.19 102.10 1kk5 n GLY 131 Ca 0.11 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1kk5 n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kk5 s VAL 132 N -3.31 3.12 -0.12 1.61 1.01 -1.23 -4.83 120.40 116.65 1kk5 s VAL 132 Ca 0.30 -1.78 0.02 0.00 0.00 0.00 0.00 61.98 60.52 1kk5 s VAL 132 Cb -0.13 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.69 1kk5 s VAL 132 CO 0.66 -0.18 -0.17 -0.75 0.00 0.00 0.00 175.10 174.66 1kk5 s LYS 133 N -3.02 2.44 -0.29 2.72 2.20 -1.26 -1.07 119.74 121.47 1kk5 s LYS 133 Ca 0.26 -0.64 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 1kk5 s LYS 133 Cb -0.08 -2.06 0.06 0.00 -1.51 0.00 0.00 37.83 34.25 1kk5 s LYS 133 CO 0.16 -0.07 -0.05 0.42 -0.36 0.00 0.00 175.35 175.45 1kk5 s ILE 134 N 0.99 2.48 1.16 5.43 1.01 -0.50 -0.25 121.20 131.53 1kk5 s ILE 134 Ca -0.05 -1.64 -0.15 0.00 0.00 0.00 0.00 60.65 58.81 1kk5 s ILE 134 Cb -0.15 -2.50 0.23 0.00 0.01 0.00 0.00 42.46 40.06 1kk5 s ILE 134 CO -0.03 -0.13 0.65 0.61 0.00 0.00 0.00 174.94 176.05 1kk5 n GLY 135 N 4.48 -2.22 3.77 6.18 0.00 0.33 -0.24 105.19 117.48 1kk5 n GLY 135 Ca -0.12 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 1kk5 n GLY 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kk5 s ASP 136 N -2.20 6.67 -0.80 1.61 1.01 -1.26 -3.26 116.67 118.44 1kk5 s ASP 136 Ca 0.64 2.75 0.00 0.00 0.71 0.00 0.00 52.55 56.65 1kk5 s ASP 136 Cb -0.21 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.07 1kk5 s ASP 136 CO 0.66 -0.63 0.00 0.61 0.21 0.00 0.00 175.17 176.01 1kk5 n GLY 137 N 1.03 0.90 3.89 0.21 0.00 0.05 -0.03 105.19 111.24 1kk5 n GLY 137 Ca 0.02 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1kk5 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kk5 s ALA 138 N -2.07 3.06 -0.10 4.61 0.00 -1.20 -3.39 121.76 122.67 1kk5 s ALA 138 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 1kk5 s ALA 138 Cb 0.00 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.28 1kk5 s ALA 138 CO 0.00 -0.97 -0.00 0.42 0.00 0.00 0.00 175.76 175.21 1kk5 s ILE 139 N -3.20 0.48 -0.24 0.00 1.01 -0.58 -2.06 121.20 116.61 1kk5 s ILE 139 Ca 0.56 -0.03 -0.09 0.00 0.00 0.00 0.00 60.65 61.09 1kk5 s ILE 139 Cb -0.11 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1kk5 s ILE 139 CO 0.49 0.20 0.11 -0.69 0.00 0.00 0.00 174.94 175.05 1kk5 s VAL 140 N 1.92 4.81 0.49 2.92 1.01 -0.02 -0.61 120.40 130.92 1kk5 s VAL 140 Ca 0.04 -0.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.79 1kk5 s VAL 140 Cb -0.13 -3.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.95 1kk5 s VAL 140 CO -0.06 0.35 1.23 0.00 0.00 0.00 0.00 175.10 176.63 1kk5 s ALA 141 N 1.21 2.93 0.71 5.51 0.00 0.34 -1.54 121.76 130.93 1kk5 s ALA 141 Ca 0.06 1.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 1kk5 s ALA 141 Cb -0.14 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 1kk5 s ALA 141 CO 0.05 -0.90 0.53 0.00 0.00 0.00 0.00 175.76 175.43 1kk5 n ALA 142 N -0.66 -1.49 -2.70 0.00 0.00 -1.26 -2.74 120.51 111.67 1kk5 n ALA 142 Ca 0.08 -0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 1kk5 n ALA 142 Cb 0.47 -1.85 0.01 0.00 0.00 0.00 0.00 19.45 18.08 1kk5 n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kk5 n ASN 143 N -0.24 -5.81 -4.97 0.00 3.02 0.18 -4.84 115.26 102.60 1kk5 n ASN 143 Ca 0.10 -0.13 -0.21 0.00 -0.03 0.00 0.00 54.58 54.31 1kk5 n ASN 143 Cb 0.50 -4.77 0.00 0.00 -0.61 0.00 0.00 39.78 34.90 1kk5 n ASN 143 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1kk5 s SER 144 N -2.35 5.88 -0.29 6.41 0.01 -1.11 -4.70 113.70 117.55 1kk5 s SER 144 Ca 0.14 0.05 -0.02 0.00 1.31 0.00 0.00 55.95 57.43 1kk5 s SER 144 Cb -0.06 -1.37 0.10 0.00 0.21 0.00 0.00 66.02 64.90 1kk5 s SER 144 CO 0.18 -0.59 0.11 -0.69 0.41 0.00 0.00 173.24 172.66 1kk5 s VAL 145 N -2.38 0.41 -0.60 3.43 1.01 -0.18 -1.06 120.40 121.03 1kk5 s VAL 145 Ca 0.47 -1.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 1kk5 s VAL 145 Cb -0.10 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 35.02 1kk5 s VAL 145 CO 0.35 -0.66 1.24 -0.69 0.00 0.00 0.00 175.10 175.34 1kk5 s VAL 146 N 1.86 3.94 -0.12 2.92 1.01 -0.27 -1.18 120.40 128.57 1kk5 s VAL 146 Ca 0.09 0.81 0.20 0.00 0.00 0.00 0.00 61.98 63.07 1kk5 s VAL 146 Cb -0.17 -4.70 -0.26 0.00 0.00 0.00 0.00 36.38 31.25 1kk5 s VAL 146 CO -0.29 -1.37 0.40 1.33 0.00 0.00 0.00 175.10 175.16 1kk5 n VAL 147 N 6.67 0.76 -4.37 2.92 0.24 -1.26 -1.37 118.33 121.92 1kk5 n VAL 147 Ca 0.09 -0.67 -0.20 0.00 -2.04 0.00 0.00 64.34 61.52 1kk5 n VAL 147 Cb 0.49 -0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 32.45 1kk5 n VAL 147 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1kk5 s LYS 148 N -3.01 1.61 0.73 7.34 -2.85 -1.26 -4.89 119.74 117.40 1kk5 s LYS 148 Ca -0.08 -1.92 -0.16 0.00 -1.00 0.00 0.00 55.97 52.82 1kk5 s LYS 148 Cb 0.10 -0.31 0.03 0.00 -2.06 0.00 0.00 37.83 35.59 1kk5 s LYS 148 CO 0.86 -0.39 1.18 -0.25 0.10 0.00 0.00 175.35 176.85 1kk5 n ASP 149 N -0.85 1.26 -3.94 0.03 8.00 -1.26 -4.70 116.55 115.09 1kk5 n ASP 149 Ca -0.01 0.69 -0.26 0.00 0.71 0.00 0.00 54.79 55.92 1kk5 n ASP 149 Cb 0.65 -1.50 -0.17 0.00 -0.02 0.00 0.00 41.12 40.09 1kk5 n ASP 149 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1kk5 s ILE 150 N -1.79 1.08 0.95 0.53 1.01 0.65 -4.95 121.20 118.68 1kk5 s ILE 150 Ca 0.77 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.96 1kk5 s ILE 150 Cb -0.34 -1.06 0.16 0.00 0.01 0.00 0.00 42.46 41.23 1kk5 s ILE 150 CO 0.47 0.37 1.11 0.00 0.00 0.00 0.00 174.94 176.88 1kk5 s ALA 151 N 1.46 1.13 0.65 9.38 0.00 -1.26 -0.51 121.76 132.62 1kk5 s ALA 151 Ca 0.01 0.31 -0.16 0.00 0.00 0.00 0.00 51.96 52.11 1kk5 s ALA 151 Cb -0.13 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 1kk5 s ALA 151 CO -0.06 -2.84 1.17 -2.14 0.00 0.00 0.00 175.76 171.89 1kk5 s PRO 152 N -4.67 2.68 -1.55 0.00 0.02 -1.26 -3.77 135.00 126.44 1kk5 s PRO 152 Ca 0.66 1.64 -0.17 0.00 0.02 0.00 0.00 61.00 63.15 1kk5 s PRO 152 Cb -0.22 -1.91 0.15 0.00 0.02 0.00 0.00 34.50 32.54 1kk5 s PRO 152 CO 0.59 -1.39 0.63 0.66 -0.33 0.00 0.00 177.00 177.16 1kk5 n TYR 153 N -2.20 -1.62 -4.66 6.54 4.02 0.95 -4.84 117.16 115.36 1kk5 n TYR 153 Ca 0.12 0.65 -0.31 0.00 -0.01 0.00 0.00 57.90 58.35 1kk5 n TYR 153 Cb 0.51 -2.50 -0.12 0.00 -0.02 0.00 0.00 39.34 37.20 1kk5 n TYR 153 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1kk5 s MET 154 N -6.70 2.27 -0.25 -0.72 -1.94 -1.25 -0.51 119.30 110.20 1kk5 s MET 154 Ca 0.66 -0.86 -0.12 0.00 -1.71 0.00 0.00 55.69 53.65 1kk5 s MET 154 Cb -0.36 -2.30 -0.05 0.00 2.01 0.00 0.00 34.83 34.13 1kk5 s MET 154 CO 0.81 0.57 0.24 -1.17 -0.01 0.00 0.00 175.02 175.45 1kk5 s LEU 155 N -1.30 4.08 0.16 -0.03 2.96 -0.59 -1.53 118.68 122.43 1kk5 s LEU 155 Ca 0.15 0.16 0.10 0.00 -0.22 0.00 0.00 54.13 54.32 1kk5 s LEU 155 Cb -0.11 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 1kk5 s LEU 155 CO 0.05 -0.03 -0.23 0.00 -1.32 0.00 0.00 176.35 174.82 1kk5 s ALA 156 N 1.48 2.29 0.07 5.97 0.00 0.22 -0.51 121.76 131.27 1kk5 s ALA 156 Ca 0.10 -1.53 -0.27 0.00 0.00 0.00 0.00 51.96 50.27 1kk5 s ALA 156 Cb -0.15 -0.29 0.09 0.00 0.00 0.00 0.00 23.12 22.77 1kk5 s ALA 156 CO 0.08 0.39 0.84 0.20 0.00 0.00 0.00 175.76 177.27 1kk5 s GLY 157 N -2.47 -0.44 0.00 0.00 0.00 -0.92 -0.50 107.32 102.98 1kk5 s GLY 157 Ca 0.17 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.59 1kk5 s GLY 157 CO 0.08 0.23 0.00 0.61 0.00 0.00 0.00 173.10 174.02 1kk5 n GLY 158 N -0.32 -1.49 2.68 0.20 0.00 -1.26 -0.49 105.19 104.51 1kk5 n GLY 158 Ca -0.10 -2.23 -0.21 0.00 0.00 0.00 0.00 46.02 43.49 1kk5 n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kk5 s ASN 159 N -0.47 2.13 0.42 1.61 2.47 -1.26 -1.01 114.94 118.81 1kk5 s ASN 159 Ca 0.00 -1.15 -0.25 0.00 0.42 0.00 0.00 52.86 51.88 1kk5 s ASN 159 Cb 0.00 0.24 -0.08 0.00 -1.45 0.00 0.00 41.25 39.96 1kk5 s ASN 159 CO 0.00 -0.37 1.21 -2.16 -3.72 0.00 0.00 177.10 172.06 1kk5 s PRO 160 N 2.03 3.95 0.16 0.43 0.04 -1.26 -5.02 135.00 135.33 1kk5 s PRO 160 Ca 0.11 1.93 -0.31 0.00 0.04 0.00 0.00 61.00 62.76 1kk5 s PRO 160 Cb -0.15 -2.64 -0.11 0.00 0.04 0.00 0.00 34.50 31.64 1kk5 s PRO 160 CO -0.26 -0.43 1.75 0.00 0.04 0.00 0.00 177.00 178.10 1kk5 s ALA 161 N -1.39 3.83 0.04 8.56 0.00 -0.32 -4.92 121.76 127.56 1kk5 s ALA 161 Ca 0.58 1.48 0.08 0.00 0.00 0.00 0.00 51.96 54.10 1kk5 s ALA 161 Cb -0.33 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 1kk5 s ALA 161 CO 0.41 -1.05 -0.22 -0.80 0.00 0.00 0.00 175.76 174.10 1kk5 s ASN 162 N 1.92 2.67 0.24 0.00 0.01 0.35 -4.74 114.94 115.39 1kk5 s ASN 162 Ca 0.77 -0.52 -0.30 0.00 -0.71 0.00 0.00 52.86 52.09 1kk5 s ASN 162 Cb -0.47 -0.24 -0.10 0.00 0.41 0.00 0.00 41.25 40.85 1kk5 s ASN 162 CO 0.34 0.20 1.52 -1.61 -1.51 0.00 0.00 177.10 176.03 1kk5 s GLU 163 N -1.11 4.22 -0.17 -0.60 2.02 -1.26 -2.17 118.70 119.63 1kk5 s GLU 163 Ca 0.09 2.39 -0.17 0.00 0.02 0.00 0.00 54.97 57.30 1kk5 s GLU 163 Cb -0.09 -3.10 -0.06 0.00 0.10 0.00 0.00 34.13 30.98 1kk5 s GLU 163 CO 0.02 -0.52 -0.32 -0.89 0.02 0.00 0.00 175.26 173.56 1kk5 n ILE 164 N 2.76 1.42 -3.63 -1.63 5.41 0.33 -4.94 119.36 119.09 1kk5 n ILE 164 Ca 0.09 0.16 -0.14 0.00 1.00 0.00 0.00 62.75 63.86 1kk5 n ILE 164 Cb 0.39 -2.31 -0.06 0.00 -0.71 0.00 0.00 39.64 36.95 1kk5 n ILE 164 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1kk5 s LYS 165 N -2.78 0.93 0.06 0.38 2.20 -1.20 -5.02 119.74 114.30 1kk5 s LYS 165 Ca -0.27 -0.14 -0.31 0.00 -0.36 0.00 0.00 55.97 54.90 1kk5 s LYS 165 Cb 0.04 0.42 -0.07 0.00 -1.51 0.00 0.00 37.83 36.72 1kk5 s LYS 165 CO 0.40 -0.31 1.37 -0.65 -0.36 0.00 0.00 175.35 175.81 1kk5 s GLN 166 N -1.89 4.32 0.37 4.03 -0.21 -1.26 -1.55 119.66 123.47 1kk5 s GLN 166 Ca -0.09 1.99 0.07 0.00 0.02 0.00 0.00 55.36 57.35 1kk5 s GLN 166 Cb -0.02 -3.41 0.77 0.00 1.00 0.00 0.00 33.01 31.35 1kk5 s GLN 166 CO 0.02 -0.48 1.97 0.00 -2.12 0.00 0.00 175.29 174.69 1kk5 h ARG 167 N 7.29 0.69 -4.36 2.91 3.08 -1.13 -3.45 114.38 119.42 1kk5 h ARG 167 Ca -0.40 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.38 1kk5 h ARG 167 Cb 1.20 -0.16 -0.13 0.00 0.08 0.00 0.00 29.97 30.96 1kk5 h ARG 167 CO 0.88 0.46 -0.44 -0.06 -1.07 0.00 0.00 179.97 179.73 1kk5 s PHE 168 N -5.64 1.03 0.73 3.04 0.40 -1.26 -5.10 117.98 111.18 1kk5 s PHE 168 Ca -0.09 -1.25 -0.14 0.00 -0.60 0.00 0.00 56.93 54.85 1kk5 s PHE 168 Cb 0.19 -0.35 0.04 0.00 0.51 0.00 0.00 43.02 43.41 1kk5 s PHE 168 CO 0.77 -0.80 1.13 0.16 0.70 0.00 0.00 175.22 177.18 1kk5 s ASP 169 N -3.16 4.53 0.14 1.36 1.47 -1.26 -4.83 116.67 114.91 1kk5 s ASP 169 Ca 0.34 2.07 -0.22 0.00 1.18 0.00 0.00 52.55 55.92 1kk5 s ASP 169 Cb 0.04 -2.56 -0.00 0.00 -0.34 0.00 0.00 42.92 40.06 1kk5 s ASP 169 CO 0.14 -2.03 1.66 1.56 0.68 0.00 0.00 175.17 177.18 1kk5 h GLN 170 N -0.49 -0.19 -0.82 2.11 1.08 -1.99 -2.65 115.11 112.15 1kk5 h GLN 170 Ca -0.46 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 56.85 1kk5 h GLN 170 Cb 1.26 0.04 -0.11 0.00 -0.05 0.00 0.00 27.48 28.62 1kk5 h GLN 170 CO 0.51 -0.13 -0.43 -3.47 -0.95 0.00 0.00 178.83 174.36 1kk5 n ASP 171 N -5.32 -0.75 0.18 1.46 -0.08 -1.26 -0.19 116.55 110.59 1kk5 n ASP 171 Ca -0.02 1.45 -0.14 0.00 -1.51 0.00 0.00 54.79 54.57 1kk5 n ASP 171 Cb 0.24 -0.24 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1kk5 n ASP 171 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1kk5 h THR 172 N 0.00 0.48 -0.05 5.18 2.02 -1.85 -2.37 112.91 116.32 1kk5 h THR 172 Ca 0.19 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.40 1kk5 h THR 172 Cb 0.39 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1kk5 h THR 172 CO -0.79 0.00 -0.20 0.40 0.37 0.00 0.00 175.52 175.30 1kk5 h ILE 173 N -0.54 0.52 -0.84 3.11 2.04 -0.78 0.58 117.51 121.60 1kk5 h ILE 173 Ca -0.01 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.05 1kk5 h ILE 173 Cb 0.48 0.52 -0.12 0.00 -0.74 0.00 0.00 36.82 36.96 1kk5 h ILE 173 CO -0.03 0.00 0.29 0.78 0.00 0.00 0.00 178.15 179.18 1kk5 h ASN 174 N -0.29 0.15 -0.10 1.72 -0.26 -0.45 0.75 115.58 117.10 1kk5 h ASN 174 Ca 0.07 0.16 -0.23 0.00 -0.56 0.00 0.00 56.30 55.75 1kk5 h ASN 174 Cb 0.39 0.19 0.01 0.00 -1.06 0.00 0.00 38.32 37.86 1kk5 h ASN 174 CO -0.22 -0.05 -0.82 1.56 -1.06 0.00 0.00 177.43 176.84 1kk5 h GLN 175 N 0.31 0.74 -0.29 0.81 4.20 -0.78 -2.77 115.11 117.33 1kk5 h GLN 175 Ca 0.51 -0.66 0.01 0.00 0.06 0.00 0.00 58.65 58.58 1kk5 h GLN 175 Cb 0.96 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 1kk5 h GLN 175 CO -0.56 1.26 0.17 -0.07 -0.67 0.00 0.00 178.83 178.96 1kk5 h LEU 176 N 0.44 0.28 -0.60 1.46 3.38 0.25 0.31 115.31 120.83 1kk5 h LEU 176 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1kk5 h LEU 176 Cb 1.46 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1kk5 h LEU 176 CO 0.17 0.20 0.00 0.18 0.09 0.00 0.00 178.44 179.08 1kk5 n LEU 177 N -4.92 0.43 -0.10 1.67 4.77 0.24 -2.63 117.00 116.45 1kk5 n LEU 177 Ca -0.01 0.63 -0.23 0.00 -0.03 0.00 0.00 56.01 56.37 1kk5 n LEU 177 Cb 0.05 -0.60 -0.12 0.00 -2.33 0.00 0.00 43.42 40.42 1kk5 n LEU 177 CO 0.33 -0.55 -0.67 -0.67 -1.33 0.00 0.00 177.39 174.50 1kk5 n ASP 178 N -2.00 1.90 -0.16 -1.43 -0.08 -0.07 -4.40 116.55 110.32 1kk5 n ASP 178 Ca 0.02 0.38 -0.03 0.00 -1.51 0.00 0.00 54.79 53.65 1kk5 n ASP 178 Cb 0.16 -0.93 0.06 0.00 2.34 0.00 0.00 41.12 42.75 1kk5 n ASP 178 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1kk5 h ILE 179 N -0.88 0.78 -6.02 5.18 2.04 -0.35 -3.46 117.51 114.79 1kk5 h ILE 179 Ca -0.40 -0.10 -0.42 0.00 1.00 0.00 0.00 64.86 64.94 1kk5 h ILE 179 Cb 1.42 0.46 0.07 0.00 -0.74 0.00 0.00 36.82 38.03 1kk5 h ILE 179 CO -0.20 0.05 -0.76 0.29 0.00 0.00 0.00 178.15 177.53 1kk5 n LYS 180 N -5.06 -6.17 -0.06 2.37 5.02 -1.08 -4.84 118.16 108.34 1kk5 n LYS 180 Ca 0.05 0.70 0.25 0.00 -2.02 0.00 0.00 58.31 57.30 1kk5 n LYS 180 Cb 0.22 -5.57 0.66 0.00 -0.02 0.00 0.00 35.03 30.32 1kk5 n LYS 180 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1kk5 h TRP 181 N -2.16 0.00 0.00 2.13 5.08 -1.90 0.34 115.95 119.44 1kk5 h TRP 181 Ca -0.59 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.38 1kk5 h TRP 181 Cb 1.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.52 1kk5 h TRP 181 CO 0.50 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 174.99 1kk5 n TRP 182 N -3.62 0.68 0.90 0.12 2.14 -1.26 -1.88 117.44 114.53 1kk5 n TRP 182 Ca 0.15 0.30 0.10 0.00 2.07 0.00 0.00 57.50 60.12 1kk5 n TRP 182 Cb 1.00 -0.98 -0.05 0.00 -0.81 0.00 0.00 31.31 30.47 1kk5 n TRP 182 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1kk5 n ASN 183 N -2.15 0.82 -4.72 -0.67 3.02 0.12 -4.97 115.26 106.71 1kk5 n ASN 183 Ca 0.01 -0.75 -0.35 0.00 -0.03 0.00 0.00 54.58 53.46 1kk5 n ASN 183 Cb 0.15 0.92 0.08 0.00 -0.61 0.00 0.00 39.78 40.33 1kk5 n ASN 183 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1kk5 s TRP 184 N -3.05 2.06 0.36 3.10 0.51 -0.79 -4.92 118.94 116.21 1kk5 s TRP 184 Ca 0.07 1.56 -0.28 0.00 -2.12 0.00 0.00 56.10 55.33 1kk5 s TRP 184 Cb 0.16 -3.55 -0.12 0.00 -0.81 0.00 0.00 33.47 29.15 1kk5 s TRP 184 CO 0.84 -2.71 1.40 -2.30 -0.51 0.00 0.00 176.95 173.67 1kk5 n PRO 185 N -2.43 2.44 -0.19 4.98 -0.02 -1.26 -4.80 135.00 133.72 1kk5 n PRO 185 Ca 0.14 0.86 -0.02 0.00 -2.02 0.00 0.00 63.50 62.46 1kk5 n PRO 185 Cb 0.49 -2.52 0.05 0.00 -0.02 0.00 0.00 33.50 31.50 1kk5 n PRO 185 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1kk5 h ILE 186 N 2.78 0.39 -0.14 4.25 6.09 -1.97 -0.11 117.51 128.81 1kk5 h ILE 186 Ca -0.49 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.04 1kk5 h ILE 186 Cb 1.26 0.39 -0.01 0.00 0.47 0.00 0.00 36.82 38.94 1kk5 h ILE 186 CO 0.64 0.00 0.16 0.44 -3.07 0.00 0.00 178.15 176.31 1kk5 h ASP 187 N -0.02 0.00 -0.03 2.19 3.32 -1.94 0.66 116.42 120.60 1kk5 h ASP 187 Ca 0.27 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.09 1kk5 h ASP 187 Cb 0.44 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.00 1kk5 h ASP 187 CO -0.60 0.00 -0.86 0.40 -1.72 0.00 0.00 179.24 176.46 1kk5 h ILE 188 N 0.00 1.30 -0.13 0.35 5.03 -1.37 -3.03 117.51 119.66 1kk5 h ILE 188 Ca 0.07 -2.10 -0.11 0.00 -0.12 0.00 0.00 64.86 62.60 1kk5 h ILE 188 Cb 0.38 2.13 -0.01 0.00 -3.03 0.00 0.00 36.82 36.28 1kk5 h ILE 188 CO -0.00 0.65 -0.39 0.40 -0.68 0.00 0.00 178.15 178.13 1kk5 h ILE 189 N 0.45 1.30 -0.00 -0.67 2.04 -0.20 -2.35 117.51 118.08 1kk5 h ILE 189 Ca -0.07 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1kk5 h ILE 189 Cb 1.49 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 39.21 1kk5 h ILE 189 CO 0.17 0.45 0.00 0.78 0.00 0.00 0.00 178.15 179.55 1kk5 h ASN 190 N 0.23 0.00 -0.02 1.72 2.35 0.25 -1.71 115.58 118.40 1kk5 h ASN 190 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1kk5 h ASN 190 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1kk5 h ASN 190 CO 0.06 0.00 -0.38 -0.62 -1.65 0.00 0.00 177.43 174.85 1kk5 n GLU 191 N -3.46 1.45 -0.16 0.81 1.02 -0.89 -4.34 120.64 115.06 1kk5 n GLU 191 Ca -0.03 -1.13 0.05 0.00 -0.02 0.00 0.00 57.16 56.03 1kk5 n GLU 191 Cb 0.08 -1.45 0.07 0.00 -0.02 0.00 0.00 31.44 30.12 1kk5 n GLU 191 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1kk5 n ASN 192 N 0.20 1.52 -0.05 1.62 3.02 -0.72 -4.83 115.26 116.01 1kk5 n ASN 192 Ca 0.10 -2.46 -0.08 0.00 -0.03 0.00 0.00 54.58 52.11 1kk5 n ASN 192 Cb 0.47 -0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 39.36 1kk5 n ASN 192 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1kk5 h ILE 193 N 1.96 0.66 -0.79 2.41 2.04 -1.55 0.13 117.51 122.37 1kk5 h ILE 193 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1kk5 h ILE 193 Cb 1.01 0.66 -0.09 0.00 -0.74 0.00 0.00 36.82 37.66 1kk5 h ILE 193 CO 0.00 0.00 0.39 0.44 0.00 0.00 0.00 178.15 178.98 1kk5 h ASP 194 N -0.07 0.47 -0.28 1.72 3.32 -1.89 0.40 116.42 120.09 1kk5 h ASP 194 Ca 0.13 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 1kk5 h ASP 194 Cb 0.26 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1kk5 h ASP 194 CO -0.29 0.22 -0.08 0.11 -1.72 0.00 0.00 179.24 177.49 1kk5 h LYS 195 N 0.59 0.66 -0.15 3.56 1.57 -1.58 -2.43 116.57 118.80 1kk5 h LYS 195 Ca 0.42 -0.19 -0.18 0.00 -1.87 0.00 0.00 60.65 58.83 1kk5 h LYS 195 Cb 0.55 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1kk5 h LYS 195 CO -0.34 0.74 -0.63 0.82 -0.57 0.00 0.00 179.45 179.47 1kk5 h ILE 196 N 0.61 1.33 0.00 1.86 2.04 0.12 0.15 117.51 123.63 1kk5 h ILE 196 Ca 0.11 -1.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.01 1kk5 h ILE 196 Cb 0.50 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1kk5 h ILE 196 CO 0.03 0.59 -0.20 -0.07 0.00 0.00 0.00 178.15 178.50 1kk5 h LEU 197 N 0.40 0.00 -2.07 1.44 3.38 0.07 -3.11 115.31 115.42 1kk5 h LEU 197 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1kk5 h LEU 197 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1kk5 h LEU 197 CO 0.12 0.20 0.00 -0.90 0.09 0.00 0.00 178.44 177.95 1kk5 n ASP 198 N -3.56 1.86 -0.52 -0.43 5.68 -0.95 -4.98 116.55 113.65 1kk5 n ASP 198 Ca -0.01 -1.59 -0.07 0.00 -0.50 0.00 0.00 54.79 52.62 1kk5 n ASP 198 Cb 0.35 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.26 1kk5 n ASP 198 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1kk5 n ASN 199 N 0.06 -3.93 -0.00 -1.12 4.13 -0.55 -4.87 115.26 108.97 1kk5 n ASN 199 Ca 0.03 0.17 0.15 0.00 1.68 0.00 0.00 54.58 56.61 1kk5 n ASN 199 Cb 0.21 -2.02 0.82 0.00 -1.54 0.00 0.00 39.78 37.25 1kk5 n ASN 199 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1kk5 n SER 200 N 0.66 0.00 -0.21 6.41 3.41 -0.07 -3.67 113.62 120.15 1kk5 n SER 200 Ca -0.07 -0.41 0.05 0.00 -0.26 0.00 0.00 58.87 58.18 1kk5 n SER 200 Cb 0.24 -0.20 0.31 0.00 -0.26 0.00 0.00 64.21 64.31 1kk5 n SER 200 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1kk5 h ILE 201 N 0.00 1.06 -0.96 -1.33 2.10 -1.79 -2.43 117.51 114.17 1kk5 h ILE 201 Ca 0.00 -0.29 0.12 0.00 1.08 0.00 0.00 64.86 65.76 1kk5 h ILE 201 Cb 0.20 0.13 -0.08 0.00 -1.09 0.00 0.00 36.82 35.99 1kk5 h ILE 201 CO 0.00 0.16 0.61 0.40 -1.08 0.00 0.00 178.15 178.24 1kk5 h ILE 202 N 0.85 0.92 0.12 2.19 2.04 -1.89 -2.68 117.51 119.06 1kk5 h ILE 202 Ca 0.32 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1kk5 h ILE 202 Cb 0.17 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1kk5 h ILE 202 CO -0.10 0.17 -0.06 -0.09 0.00 0.00 0.00 178.15 178.07 1kk5 h ARG 203 N 0.92 -0.15 0.00 2.37 2.43 -1.70 -2.86 114.38 115.38 1kk5 h ARG 203 Ca 0.47 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1kk5 h ARG 203 Cb 0.50 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1kk5 h ARG 203 CO -0.23 -0.01 0.00 0.39 -1.51 0.00 0.00 179.97 178.61 1kk5 n GLU 204 N -5.11 0.00 -0.49 0.20 -0.58 -1.12 -4.20 120.64 109.34 1kk5 n GLU 204 Ca -0.08 0.18 0.40 0.00 -0.42 0.00 0.00 57.16 57.24 1kk5 n GLU 204 Cb 0.13 -0.73 0.69 0.00 -0.57 0.00 0.00 31.44 30.97 1kk5 n GLU 204 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1kk5 h VAL 205 N 0.00 0.11 -0.02 2.62 -1.51 -1.69 -3.52 116.25 112.23 1kk5 h VAL 205 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1kk5 h VAL 205 Cb 0.00 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.20 1kk5 h VAL 205 CO 0.00 0.01 0.00 2.30 -1.23 0.00 0.00 177.57 178.65