#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kk4 n GLY 2 N 0.00 2.07 3.83 -5.12 0.00 -1.26 -4.97 105.19 99.74 1kk4 n GLY 2 Ca 0.00 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.55 1kk4 n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kk4 s PRO 3 N -1.81 2.85 -0.29 1.61 0.04 -1.26 -5.00 135.00 131.14 1kk4 s PRO 3 Ca 0.00 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 61.55 1kk4 s PRO 3 Cb 0.00 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1kk4 s PRO 3 CO 0.00 -1.12 1.05 1.21 0.04 0.00 0.00 177.00 178.18 1kk4 s ASN 4 N -3.94 6.98 0.20 6.66 3.84 -1.26 -4.92 114.94 122.50 1kk4 s ASN 4 Ca 0.58 1.15 0.18 0.00 0.21 0.00 0.00 52.86 54.98 1kk4 s ASN 4 Cb -0.13 -2.54 0.83 0.00 -0.55 0.00 0.00 41.25 38.86 1kk4 s ASN 4 CO 0.54 -0.80 1.54 -0.81 -2.79 0.00 0.00 177.10 174.78 1kk4 n PRO 5 N 6.66 0.11 -0.14 0.43 -0.04 -1.26 -2.41 135.00 138.35 1kk4 n PRO 5 Ca 0.12 0.49 0.10 0.00 -0.04 0.00 0.00 63.50 64.17 1kk4 n PRO 5 Cb 0.47 -1.79 0.29 0.00 -0.04 0.00 0.00 33.50 32.43 1kk4 n PRO 5 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1kk4 n MET 6 N -2.02 2.02 -3.53 0.54 2.81 -1.26 -4.47 117.12 111.21 1kk4 n MET 6 Ca 0.01 -1.55 -0.37 0.00 -1.81 0.00 0.00 57.70 53.98 1kk4 n MET 6 Cb 0.11 -1.42 -0.07 0.00 -0.71 0.00 0.00 33.22 31.13 1kk4 n MET 6 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1kk4 s LYS 7 N -1.62 4.15 0.08 0.03 1.02 -1.01 -4.79 119.74 117.60 1kk4 s LYS 7 Ca 0.34 0.17 -0.23 0.00 0.02 0.00 0.00 55.97 56.27 1kk4 s LYS 7 Cb 0.19 -3.38 -0.14 0.00 -0.52 0.00 0.00 37.83 33.97 1kk4 s LYS 7 CO 0.27 0.34 1.70 0.52 -0.92 0.00 0.00 175.35 177.26 1kk4 h MET 8 N 6.25 0.04 -4.08 1.68 2.86 -1.90 -3.36 114.93 116.41 1kk4 h MET 8 Ca -0.44 -0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.53 1kk4 h MET 8 Cb 1.18 -0.01 -0.38 0.00 0.06 0.00 0.00 31.60 32.45 1kk4 h MET 8 CO 0.72 0.07 -0.58 0.71 1.06 0.00 0.00 176.91 178.89 1kk4 s TYR 9 N -6.01 3.50 0.10 -0.22 1.51 -1.26 -1.35 117.35 113.62 1kk4 s TYR 9 Ca -0.13 -2.85 0.34 0.00 -1.01 0.00 0.00 57.07 53.42 1kk4 s TYR 9 Cb 0.06 -3.03 1.41 0.00 -0.11 0.00 0.00 41.96 40.29 1kk4 s TYR 9 CO 0.67 -0.88 1.99 -1.00 -1.11 0.00 0.00 175.55 175.22 1kk4 h PRO 10 N 7.32 0.00 -4.29 -1.71 0.13 -1.78 -3.40 132.00 128.26 1kk4 h PRO 10 Ca -0.07 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.33 1kk4 h PRO 10 Cb 0.98 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.86 1kk4 h PRO 10 CO 0.65 0.00 -0.35 0.42 -0.23 0.00 0.00 178.00 178.49 1kk4 s ILE 11 N -3.68 4.80 0.14 -3.56 1.01 -1.26 -4.89 121.20 113.76 1kk4 s ILE 11 Ca 0.01 -1.37 -0.32 0.00 0.00 0.00 0.00 60.65 58.97 1kk4 s ILE 11 Cb 0.09 -3.98 -0.18 0.00 0.01 0.00 0.00 42.46 38.40 1kk4 s ILE 11 CO 0.52 -0.66 0.72 -1.84 0.00 0.00 0.00 174.94 173.69 1kk4 n GLU 12 N 5.09 0.06 -0.43 2.79 -0.00 -1.26 -0.39 120.64 126.50 1kk4 n GLU 12 Ca -0.11 0.02 0.00 0.00 -0.00 0.00 0.00 57.16 57.07 1kk4 n GLU 12 Cb 0.42 -1.20 0.00 0.00 -0.00 0.00 0.00 31.44 30.66 1kk4 n GLU 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kk4 n GLY 13 N 1.83 1.11 3.39 -1.84 0.00 -1.26 -4.97 105.19 103.44 1kk4 n GLY 13 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1kk4 n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kk4 s ASN 14 N -2.84 4.70 -0.02 1.61 3.84 0.47 -4.97 114.94 117.73 1kk4 s ASN 14 Ca 0.00 -0.28 0.18 0.00 0.21 0.00 0.00 52.86 52.97 1kk4 s ASN 14 Cb 0.00 -1.82 0.55 0.00 -0.55 0.00 0.00 41.25 39.43 1kk4 s ASN 14 CO 0.00 0.00 1.47 0.29 -2.79 0.00 0.00 177.10 176.07 1kk4 n LYS 15 N 4.67 2.93 -0.11 0.43 4.76 -1.26 -4.51 118.16 125.07 1kk4 n LYS 15 Ca -0.17 -2.52 -0.24 0.00 -2.87 0.00 0.00 58.31 52.50 1kk4 n LYS 15 Cb 0.51 -1.54 -0.11 0.00 -1.84 0.00 0.00 35.03 32.05 1kk4 n LYS 15 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1kk4 n SER 16 N 1.17 1.97 -4.68 4.39 2.88 -1.26 -4.84 113.62 113.24 1kk4 n SER 16 Ca 0.21 0.20 -0.42 0.00 -1.33 0.00 0.00 58.87 57.54 1kk4 n SER 16 Cb 0.61 -0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 63.30 1kk4 n SER 16 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1kk4 s VAL 17 N -2.49 4.85 -0.02 2.46 1.01 -1.26 -0.65 120.40 124.30 1kk4 s VAL 17 Ca -0.34 1.81 -0.02 0.00 0.00 0.00 0.00 61.98 63.43 1kk4 s VAL 17 Cb 0.11 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1kk4 s VAL 17 CO 0.57 0.05 0.06 0.00 0.00 0.00 0.00 175.10 175.78 1kk4 s GLN 18 N 1.90 0.06 -0.05 2.72 -2.07 -0.78 -4.47 119.66 116.97 1kk4 s GLN 18 Ca 0.43 0.09 -0.30 0.00 -1.82 0.00 0.00 55.36 53.76 1kk4 s GLN 18 Cb -0.18 0.02 -0.03 0.00 -1.09 0.00 0.00 33.01 31.73 1kk4 s GLN 18 CO 0.16 -0.02 1.07 -0.06 -1.32 0.00 0.00 175.29 175.12 1kk4 s PHE 19 N 0.10 3.47 0.24 9.60 2.99 -0.46 -0.15 117.98 133.77 1kk4 s PHE 19 Ca -0.01 1.50 -0.03 0.00 0.00 0.00 0.00 56.93 58.39 1kk4 s PHE 19 Cb -0.01 -3.25 0.28 0.00 0.00 0.00 0.00 43.02 40.03 1kk4 s PHE 19 CO -0.00 -0.55 1.74 0.82 -0.00 0.00 0.00 175.22 177.22 1kk4 h ILE 20 N 4.93 1.25 0.61 0.64 2.04 -1.15 -3.36 117.51 122.47 1kk4 h ILE 20 Ca -0.36 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 1kk4 h ILE 20 Cb 1.18 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1kk4 h ILE 20 CO 0.83 0.37 -0.33 0.50 0.00 0.00 0.00 178.15 179.52 1kk4 h LYS 21 N 0.79 -0.83 0.00 2.37 3.64 -1.80 -1.01 116.57 119.74 1kk4 h LYS 21 Ca 0.15 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1kk4 h LYS 21 Cb 0.47 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1kk4 h LYS 21 CO 0.02 -0.55 0.02 -1.00 -2.27 0.00 0.00 179.45 175.67 1kk4 h PRO 22 N -0.86 0.00 0.14 1.90 0.13 -1.78 -0.83 132.00 130.70 1kk4 h PRO 22 Ca -0.08 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.74 1kk4 h PRO 22 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1kk4 h PRO 22 CO 0.11 0.00 -1.58 0.82 -0.23 0.00 0.00 178.00 177.12 1kk4 h ILE 23 N 0.00 0.96 0.00 -3.56 2.04 -1.56 -3.40 117.51 112.00 1kk4 h ILE 23 Ca 0.00 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.43 1kk4 h ILE 23 Cb 0.04 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 1kk4 h ILE 23 CO 0.00 0.77 -0.80 0.18 0.00 0.00 0.00 178.15 178.31 1kk4 n LEU 24 N -3.77 0.72 -0.24 1.44 4.77 -0.43 -4.43 117.00 115.06 1kk4 n LEU 24 Ca -0.26 -0.22 0.16 0.00 -0.03 0.00 0.00 56.01 55.67 1kk4 n LEU 24 Cb 0.97 -0.12 0.47 0.00 -2.33 0.00 0.00 43.42 42.41 1kk4 n LEU 24 CO 0.45 0.17 1.22 -0.33 -1.33 0.00 0.00 177.39 177.56 1kk4 h GLU 25 N 0.00 0.49 0.00 3.23 5.08 -1.39 0.84 114.58 122.82 1kk4 h GLU 25 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1kk4 h GLU 25 Cb 0.54 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1kk4 h GLU 25 CO 0.00 0.32 0.01 0.87 -1.00 0.00 0.00 179.01 179.21 1kk4 h LYS 26 N 0.50 0.00 -6.08 2.33 1.79 -1.86 -3.43 116.57 109.83 1kk4 h LYS 26 Ca 0.44 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 58.34 1kk4 h LYS 26 Cb 0.96 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.56 1kk4 h LYS 26 CO -0.18 0.00 -0.06 -0.51 -1.08 0.00 0.00 179.45 177.62 1kk4 s LEU 27 N -5.94 4.44 0.33 2.94 1.43 0.29 -5.06 118.68 117.10 1kk4 s LEU 27 Ca -0.05 1.13 -0.26 0.00 -1.03 0.00 0.00 54.13 53.92 1kk4 s LEU 27 Cb 0.12 -2.84 -0.10 0.00 0.03 0.00 0.00 46.19 43.40 1kk4 s LEU 27 CO 0.38 0.17 0.94 -0.70 0.23 0.00 0.00 176.35 177.37 1kk4 s GLU 28 N -0.49 4.56 -0.58 1.70 2.12 -1.26 -3.78 118.70 120.97 1kk4 s GLU 28 Ca 0.29 1.31 0.00 0.00 0.36 0.00 0.00 54.97 56.92 1kk4 s GLU 28 Cb -0.18 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.45 1kk4 s GLU 28 CO 0.16 0.26 0.00 0.09 -0.54 0.00 0.00 175.26 175.24 1kk4 n ASN 29 N 0.48 -3.17 -3.91 -1.70 3.02 -1.26 -4.97 115.26 103.76 1kk4 n ASN 29 Ca 0.02 0.08 -0.21 0.00 -0.03 0.00 0.00 54.58 54.44 1kk4 n ASN 29 Cb 0.50 -1.74 -0.16 0.00 -0.61 0.00 0.00 39.78 37.77 1kk4 n ASN 29 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kk4 s VAL 30 N -2.25 0.64 -0.10 2.41 1.01 -1.25 -1.90 120.40 118.96 1kk4 s VAL 30 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1kk4 s VAL 30 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1kk4 s VAL 30 CO 0.00 0.25 -0.22 -1.61 0.00 0.00 0.00 175.10 173.53 1kk4 s GLU 31 N 0.98 2.82 -0.01 2.72 2.02 -0.36 -4.90 118.70 121.98 1kk4 s GLU 31 Ca -0.10 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.11 1kk4 s GLU 31 Cb -0.14 -2.16 -0.00 0.00 0.10 0.00 0.00 34.13 31.92 1kk4 s GLU 31 CO -0.00 0.14 -0.07 0.08 0.02 0.00 0.00 175.26 175.43 1kk4 s VAL 32 N 0.44 0.56 0.40 2.63 1.01 -1.25 -0.47 120.40 123.71 1kk4 s VAL 32 Ca -0.17 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.27 1kk4 s VAL 32 Cb -0.17 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 35.64 1kk4 s VAL 32 CO 0.07 0.16 1.03 -0.83 0.00 0.00 0.00 175.10 175.53 1kk4 s GLY 33 N -0.15 2.68 0.14 4.51 0.00 0.25 -4.87 107.32 109.89 1kk4 s GLY 33 Ca 0.02 0.64 -0.30 0.00 0.00 0.00 0.00 44.72 45.09 1kk4 s GLY 33 CO -0.00 1.04 1.56 0.83 0.00 0.00 0.00 173.10 176.53 1kk4 h GLU 34 N 2.41 -0.34 -0.62 2.90 4.39 -1.90 -3.04 114.58 118.39 1kk4 h GLU 34 Ca -0.48 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1kk4 h GLU 34 Cb 1.21 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1kk4 h GLU 34 CO 0.62 -0.23 0.00 0.66 -1.16 0.00 0.00 179.01 178.90 1kk4 n TYR 35 N -5.40 1.11 -2.19 4.33 4.02 -1.26 -4.70 117.16 113.07 1kk4 n TYR 35 Ca -0.02 -0.44 -0.42 0.00 -0.01 0.00 0.00 57.90 57.01 1kk4 n TYR 35 Cb 0.35 -0.20 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 1kk4 n TYR 35 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1kk4 s SER 36 N -0.78 6.82 0.33 7.72 0.01 -1.15 -4.36 113.70 122.29 1kk4 s SER 36 Ca 0.37 2.13 0.10 0.00 1.31 0.00 0.00 55.95 59.86 1kk4 s SER 36 Cb 0.24 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.86 1kk4 s SER 36 CO 0.18 -0.76 -0.07 -0.72 0.41 0.00 0.00 173.24 172.28 1kk4 s TYR 37 N 2.69 2.45 -0.07 2.43 -0.85 -0.82 -0.55 117.35 122.62 1kk4 s TYR 37 Ca 0.65 -0.44 0.02 0.00 -0.52 0.00 0.00 57.07 56.78 1kk4 s TYR 37 Cb -0.32 -1.35 0.01 0.00 0.38 0.00 0.00 41.96 40.69 1kk4 s TYR 37 CO 0.26 0.57 -0.11 -0.47 -1.52 0.00 0.00 175.55 174.28 1kk4 s TYR 38 N -2.55 1.44 -0.68 -3.49 5.04 0.78 -1.81 117.35 116.08 1kk4 s TYR 38 Ca 0.33 -0.55 -0.22 0.00 -2.44 0.00 0.00 57.07 54.19 1kk4 s TYR 38 Cb 0.00 -1.07 0.08 0.00 0.35 0.00 0.00 41.96 41.32 1kk4 s TYR 38 CO 0.17 -0.30 0.95 0.34 -1.34 0.00 0.00 175.55 175.38 1kk4 s ASP 39 N 0.77 6.22 0.34 4.32 -1.08 -0.86 -1.87 116.67 124.52 1kk4 s ASP 39 Ca -0.13 -1.14 -0.28 0.00 -0.52 0.00 0.00 52.55 50.48 1kk4 s ASP 39 Cb -0.15 -2.40 -0.12 0.00 -1.46 0.00 0.00 42.92 38.78 1kk4 s ASP 39 CO 0.02 -1.37 1.37 -0.24 0.52 0.00 0.00 175.17 175.47 1kk4 n SER 40 N 7.45 3.11 0.02 -0.34 2.88 0.18 -2.65 113.62 124.27 1kk4 n SER 40 Ca -0.02 1.21 -0.02 0.00 -1.33 0.00 0.00 58.87 58.71 1kk4 n SER 40 Cb 0.45 -1.52 -0.01 0.00 -0.75 0.00 0.00 64.21 62.38 1kk4 n SER 40 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1kk4 h LYS 41 N 2.90 -0.13 -0.14 -1.46 1.63 -1.89 -3.40 116.57 114.08 1kk4 h LYS 41 Ca -0.47 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.32 1kk4 h LYS 41 Cb 1.27 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.92 1kk4 h LYS 41 CO 0.65 -0.09 -0.03 0.09 -3.45 0.00 0.00 179.45 176.62 1kk4 n ASN 42 N -4.23 3.01 0.00 4.20 3.02 -1.26 -4.94 115.26 115.05 1kk4 n ASN 42 Ca -0.02 -3.14 0.00 0.00 -0.03 0.00 0.00 54.58 51.39 1kk4 n ASN 42 Cb 0.05 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1kk4 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kk4 n GLY 43 N -1.00 0.48 3.77 7.41 0.00 -1.26 -5.06 105.19 109.53 1kk4 n GLY 43 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1kk4 n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kk4 s GLU 44 N -0.85 3.50 0.50 1.61 1.03 -1.26 -4.97 118.70 118.26 1kk4 s GLU 44 Ca 0.00 1.65 -0.16 0.00 0.03 0.00 0.00 54.97 56.49 1kk4 s GLU 44 Cb 0.00 -2.13 -0.08 0.00 -0.80 0.00 0.00 34.13 31.12 1kk4 s GLU 44 CO 0.00 -0.74 0.96 0.95 -1.33 0.00 0.00 175.26 175.11 1kk4 s THR 45 N -1.71 4.55 0.42 1.83 -4.23 -1.26 -4.72 115.64 110.53 1kk4 s THR 45 Ca 0.70 1.17 0.13 0.00 -1.18 0.00 0.00 61.69 62.51 1kk4 s THR 45 Cb -0.25 -3.72 0.32 0.00 1.34 0.00 0.00 72.50 70.20 1kk4 s THR 45 CO 0.29 -0.66 1.97 0.15 -0.54 0.00 0.00 174.62 175.83 1kk4 h PHE 46 N 0.98 0.50 -0.36 3.99 3.57 -1.96 -2.30 116.94 121.35 1kk4 h PHE 46 Ca -0.47 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.15 1kk4 h PHE 46 Cb 1.18 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1kk4 h PHE 46 CO 0.63 0.23 0.39 0.38 -2.23 0.00 0.00 178.31 177.72 1kk4 h ASP 47 N 0.47 0.00 0.95 0.41 2.03 -1.93 0.87 116.42 119.21 1kk4 h ASP 47 Ca 0.30 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.56 1kk4 h ASP 47 Cb 0.54 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.03 1kk4 h ASP 47 CO -0.09 0.00 -0.19 0.11 -1.03 0.00 0.00 179.24 178.04 1kk4 h LYS 48 N 0.00 0.00 -0.00 4.15 1.79 -1.80 -3.04 116.57 117.67 1kk4 h LYS 48 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1kk4 h LYS 48 Cb 0.95 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1kk4 h LYS 48 CO -0.00 0.19 -0.01 1.04 -1.08 0.00 0.00 179.45 179.59 1kk4 n GLN 49 N -3.35 0.06 -3.49 3.15 1.13 0.30 -4.68 117.38 110.50 1kk4 n GLN 49 Ca 0.00 -0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 1kk4 n GLN 49 Cb 0.41 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 29.16 1kk4 n GLN 49 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1kk4 s ILE 50 N -2.94 5.26 0.15 5.09 1.01 -1.15 -1.75 121.20 126.88 1kk4 s ILE 50 Ca 0.16 -0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.60 1kk4 s ILE 50 Cb 0.19 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1kk4 s ILE 50 CO 0.52 -0.09 -0.00 -0.76 0.00 0.00 0.00 174.94 174.60 1kk4 s LEU 51 N 1.76 3.33 -1.49 2.97 1.43 0.46 -4.67 118.68 122.47 1kk4 s LEU 51 Ca 0.07 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 1kk4 s LEU 51 Cb -0.18 -2.01 0.07 0.00 0.03 0.00 0.00 46.19 44.10 1kk4 s LEU 51 CO 0.11 0.11 0.87 -1.22 0.23 0.00 0.00 176.35 176.45 1kk4 n TYR 52 N 0.05 -2.14 -3.51 0.29 4.02 -1.26 0.06 117.16 114.67 1kk4 n TYR 52 Ca -0.10 0.88 -0.42 0.00 -0.01 0.00 0.00 57.90 58.24 1kk4 n TYR 52 Cb 0.54 -3.99 -0.06 0.00 -0.02 0.00 0.00 39.34 35.81 1kk4 n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1kk4 s HIS 53 N -3.42 3.51 -0.20 -0.72 2.46 -1.26 -0.60 115.29 115.05 1kk4 s HIS 53 Ca 0.48 -2.07 -0.11 0.00 0.47 0.00 0.00 55.06 53.83 1kk4 s HIS 53 Cb -0.24 -3.55 -0.05 0.00 -0.13 0.00 0.00 32.58 28.61 1kk4 s HIS 53 CO 0.84 -0.96 0.18 0.71 -2.47 0.00 0.00 174.74 173.04 1kk4 s TYR 54 N 0.66 3.39 0.41 3.88 4.12 -1.26 -4.98 117.35 123.57 1kk4 s TYR 54 Ca 0.12 0.36 0.08 0.00 0.02 0.00 0.00 57.07 57.66 1kk4 s TYR 54 Cb -0.20 -2.24 0.88 0.00 -1.52 0.00 0.00 41.96 38.88 1kk4 s TYR 54 CO -0.04 0.21 2.04 -1.00 0.02 0.00 0.00 175.55 176.78 1kk4 h PRO 55 N 6.93 0.53 -0.66 -1.71 0.13 -1.93 -2.32 132.00 132.97 1kk4 h PRO 55 Ca -0.40 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.75 1kk4 h PRO 55 Cb 1.16 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 1kk4 h PRO 55 CO 0.73 0.35 0.38 0.97 -0.23 0.00 0.00 178.00 180.20 1kk4 h ILE 56 N 0.55 1.01 0.00 -3.56 2.10 -1.98 0.34 117.51 115.97 1kk4 h ILE 56 Ca 0.18 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.88 1kk4 h ILE 56 Cb 0.06 0.23 0.00 0.00 -1.09 0.00 0.00 36.82 36.02 1kk4 h ILE 56 CO -0.04 0.13 0.00 0.18 -1.08 0.00 0.00 178.15 177.34 1kk4 n LEU 57 N -4.75 0.10 -3.19 2.19 4.77 -0.87 -4.88 117.00 110.37 1kk4 n LEU 57 Ca 0.08 0.53 -0.21 0.00 -0.03 0.00 0.00 56.01 56.37 1kk4 n LEU 57 Cb 0.14 -0.52 -0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1kk4 n LEU 57 CO 0.30 -0.38 -0.05 -3.20 -1.33 0.00 0.00 177.39 172.74 1kk4 n ASN 58 N -1.62 -3.87 -4.91 -1.43 5.15 0.11 -4.98 115.26 103.71 1kk4 n ASN 58 Ca 0.02 -0.28 -0.28 0.00 -0.60 0.00 0.00 54.58 53.44 1kk4 n ASN 58 Cb 0.13 -3.21 -0.02 0.00 -0.53 0.00 0.00 39.78 36.14 1kk4 n ASN 58 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1kk4 s ASP 59 N -2.61 6.40 0.18 1.20 -4.77 -1.26 -5.05 116.67 110.76 1kk4 s ASP 59 Ca 0.33 0.75 0.08 0.00 -3.30 0.00 0.00 52.55 50.41 1kk4 s ASP 59 Cb -0.17 -2.16 -0.04 0.00 -1.09 0.00 0.00 42.92 39.46 1kk4 s ASP 59 CO 0.40 -0.29 -0.17 -0.54 0.70 0.00 0.00 175.17 175.27 1kk4 s LYS 60 N -3.90 1.28 -0.07 2.11 1.02 -1.26 -4.89 119.74 114.02 1kk4 s LYS 60 Ca 0.45 -1.46 0.04 0.00 0.02 0.00 0.00 55.97 55.01 1kk4 s LYS 60 Cb -0.10 -1.23 -0.02 0.00 -0.52 0.00 0.00 37.83 35.96 1kk4 s LYS 60 CO 0.33 0.23 -0.18 -1.17 -0.92 0.00 0.00 175.35 173.65 1kk4 s LEU 61 N -2.89 2.50 -0.05 3.17 2.96 -0.80 -2.00 118.68 121.57 1kk4 s LEU 61 Ca 0.18 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1kk4 s LEU 61 Cb -0.04 -1.50 0.02 0.00 0.50 0.00 0.00 46.19 45.17 1kk4 s LEU 61 CO 0.07 0.28 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.78 1kk4 s LYS 62 N -0.33 0.91 -0.10 1.98 1.02 0.46 -1.22 119.74 122.46 1kk4 s LYS 62 Ca 0.02 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.88 1kk4 s LYS 62 Cb -0.13 -0.90 0.02 0.00 -0.52 0.00 0.00 37.83 36.31 1kk4 s LYS 62 CO 0.02 -0.07 -0.08 0.42 -0.92 0.00 0.00 175.35 174.72 1kk4 s ILE 63 N 0.91 1.02 0.00 2.17 1.01 0.37 0.19 121.20 126.86 1kk4 s ILE 63 Ca -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1kk4 s ILE 63 Cb -0.14 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.31 1kk4 s ILE 63 CO 0.00 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1kk4 n GLY 64 N 4.73 -2.35 3.97 6.18 0.00 0.39 0.88 105.19 118.99 1kk4 n GLY 64 Ca -0.14 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.27 1kk4 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kk4 s LYS 65 N -0.92 3.15 -1.33 1.61 1.02 -1.26 -1.91 119.74 120.10 1kk4 s LYS 65 Ca 0.00 -0.71 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 1kk4 s LYS 65 Cb 0.00 -2.70 -0.00 0.00 -0.52 0.00 0.00 37.83 34.61 1kk4 s LYS 65 CO 0.00 -0.04 0.61 1.19 -0.92 0.00 0.00 175.35 176.18 1kk4 n PHE 66 N -1.82 -1.82 -4.38 3.18 3.01 -1.26 -1.12 117.46 113.25 1kk4 n PHE 66 Ca -0.01 0.80 -0.34 0.00 1.01 0.00 0.00 57.45 58.91 1kk4 n PHE 66 Cb 0.58 -4.15 -0.09 0.00 -0.01 0.00 0.00 39.48 35.80 1kk4 n PHE 66 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1kk4 s SER 68 N -1.02 5.59 -0.12 0.00 0.01 -0.75 -1.95 113.70 115.45 1kk4 s SER 68 Ca 0.15 -2.65 -0.21 0.00 1.31 0.00 0.00 55.95 54.55 1kk4 s SER 68 Cb -0.11 -1.94 -0.03 0.00 0.21 0.00 0.00 66.02 64.14 1kk4 s SER 68 CO 0.04 -0.46 0.62 -0.63 0.41 0.00 0.00 173.24 173.22 1kk4 s ILE 69 N 0.24 5.07 0.85 1.44 1.01 -0.75 -2.05 121.20 127.02 1kk4 s ILE 69 Ca 0.15 1.24 -0.13 0.00 0.00 0.00 0.00 60.65 61.91 1kk4 s ILE 69 Cb -0.19 -3.96 0.11 0.00 0.01 0.00 0.00 42.46 38.44 1kk4 s ILE 69 CO -0.04 0.22 1.21 -0.83 0.00 0.00 0.00 174.94 175.50 1kk4 s GLY 70 N 0.89 1.63 0.36 6.18 0.00 0.12 -2.02 107.32 114.48 1kk4 s GLY 70 Ca 0.32 -0.77 -0.26 0.00 0.00 0.00 0.00 44.72 44.00 1kk4 s GLY 70 CO 0.13 -0.21 1.11 2.56 0.00 0.00 0.00 173.10 176.70 1kk4 s PRO 71 N -5.63 4.27 0.00 2.90 0.04 -1.08 -3.22 135.00 132.27 1kk4 s PRO 71 Ca 0.65 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1kk4 s PRO 71 Cb -0.10 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1kk4 s PRO 71 CO 0.50 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.85 1kk4 n GLY 72 N 0.71 2.75 3.58 0.56 0.00 -1.26 -1.32 105.19 110.20 1kk4 n GLY 72 Ca 0.03 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 1kk4 n GLY 72 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kk4 n VAL 73 N -2.00 1.71 -4.13 1.61 0.31 -1.20 -4.27 118.33 110.36 1kk4 n VAL 73 Ca 0.00 -0.43 -0.24 0.00 -0.01 0.00 0.00 64.34 63.66 1kk4 n VAL 73 Cb 0.00 -0.91 -0.17 0.00 -0.91 0.00 0.00 33.84 31.85 1kk4 n VAL 73 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1kk4 s THR 74 N -0.82 0.88 -0.27 2.52 2.01 -0.08 -4.82 115.64 115.06 1kk4 s THR 74 Ca 0.63 -0.26 -0.06 0.00 0.31 0.00 0.00 61.69 62.31 1kk4 s THR 74 Cb -0.75 -0.89 -0.00 0.00 0.01 0.00 0.00 72.50 70.87 1kk4 s THR 74 CO 0.58 0.32 0.05 -0.63 -0.69 0.00 0.00 174.62 174.25 1kk4 s ILE 75 N 1.30 3.91 -0.25 1.82 1.01 -0.71 0.18 121.20 128.45 1kk4 s ILE 75 Ca -0.04 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 1kk4 s ILE 75 Cb -0.14 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1kk4 s ILE 75 CO -0.03 0.21 0.11 -0.63 0.00 0.00 0.00 174.94 174.60 1kk4 s ILE 76 N 1.52 4.70 0.10 2.92 1.09 -0.51 -0.41 121.20 130.61 1kk4 s ILE 76 Ca 0.04 -0.04 -0.00 0.00 -1.10 0.00 0.00 60.65 59.54 1kk4 s ILE 76 Cb -0.16 -3.20 0.02 0.00 -1.06 0.00 0.00 42.46 38.06 1kk4 s ILE 76 CO 0.01 0.33 0.13 0.23 -0.10 0.00 0.00 174.94 175.55 1kk4 n MET 77 N 4.74 0.43 0.00 2.79 2.81 0.11 -2.47 117.12 125.53 1kk4 n MET 77 Ca -0.16 -0.33 0.14 0.00 -1.81 0.00 0.00 57.70 55.54 1kk4 n MET 77 Cb 0.52 -0.10 0.71 0.00 -0.71 0.00 0.00 33.22 33.65 1kk4 n MET 77 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1kk4 n ASN 78 N -3.00 0.00 -0.05 7.83 3.02 -1.24 -3.86 115.26 117.96 1kk4 n ASN 78 Ca 0.02 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1kk4 n ASN 78 Cb 0.07 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1kk4 n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kk4 n GLY 79 N 1.00 -0.43 0.00 7.41 0.00 0.23 -2.80 105.19 110.60 1kk4 n GLY 79 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1kk4 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kk4 n ALA 80 N -0.43 3.46 -1.79 4.61 0.00 -1.25 -4.95 120.51 120.15 1kk4 n ALA 80 Ca 0.00 -0.33 -0.36 0.00 0.00 0.00 0.00 53.44 52.76 1kk4 n ALA 80 Cb 0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 1kk4 n ALA 80 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1kk4 s ASN 81 N -2.18 7.12 0.34 0.00 0.01 -1.12 -5.07 114.94 114.04 1kk4 s ASN 81 Ca 0.04 1.83 0.07 0.00 -0.71 0.00 0.00 52.86 54.09 1kk4 s ASN 81 Cb 0.09 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 1kk4 s ASN 81 CO 0.48 -0.23 0.37 -1.00 -1.51 0.00 0.00 177.10 175.21 1kk4 s HIS 82 N -1.79 2.99 0.47 2.20 3.76 -1.26 -4.89 115.29 116.77 1kk4 s HIS 82 Ca 0.55 -0.27 -0.23 0.00 -0.15 0.00 0.00 55.06 54.96 1kk4 s HIS 82 Cb -0.16 -1.90 -0.07 0.00 1.11 0.00 0.00 32.58 31.56 1kk4 s HIS 82 CO 0.21 0.08 1.21 0.50 -0.85 0.00 0.00 174.74 175.90 1kk4 s ARG 83 N -4.08 3.66 -0.02 1.40 3.52 -1.26 -4.52 118.95 117.64 1kk4 s ARG 83 Ca 0.43 1.89 0.04 0.00 -0.13 0.00 0.00 55.73 57.96 1kk4 s ARG 83 Cb -0.07 -2.41 0.05 0.00 -1.56 0.00 0.00 34.95 30.96 1kk4 s ARG 83 CO 0.29 -0.66 0.93 0.00 -0.81 0.00 0.00 175.30 175.04 1kk4 n MET 84 N -0.53 0.46 0.08 5.12 0.00 -1.26 -4.25 117.12 116.75 1kk4 n MET 84 Ca 0.07 -1.23 0.13 0.00 0.00 0.00 0.00 57.70 56.67 1kk4 n MET 84 Cb 0.47 -0.73 0.37 0.00 0.00 0.00 0.00 33.22 33.33 1kk4 n MET 84 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1kk4 n ASP 85 N -0.31 0.72 0.00 3.17 5.75 -1.26 -4.86 116.55 119.76 1kk4 n ASP 85 Ca 0.03 0.45 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 1kk4 n ASP 85 Cb 0.61 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1kk4 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kk4 n GLY 86 N 1.33 4.62 3.78 6.12 0.00 -1.26 -5.13 105.19 114.65 1kk4 n GLY 86 Ca 0.05 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1kk4 n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kk4 s SER 87 N 1.11 5.83 0.00 1.61 0.15 -1.26 -4.94 113.70 116.20 1kk4 s SER 87 Ca 0.00 2.08 0.24 0.00 0.70 0.00 0.00 55.95 58.96 1kk4 s SER 87 Cb 0.00 -2.57 0.45 0.00 -1.71 0.00 0.00 66.02 62.19 1kk4 s SER 87 CO 0.00 -1.14 1.40 0.35 1.20 0.00 0.00 173.24 175.05 1kk4 n THR 88 N -1.36 0.24 -2.64 6.45 -2.24 -1.26 -4.56 114.28 108.91 1kk4 n THR 88 Ca 0.11 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1kk4 n THR 88 Cb 0.52 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.75 1kk4 n THR 88 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1kk4 s TYR 89 N -1.76 3.64 -1.08 4.78 5.04 -1.26 -4.79 117.35 121.92 1kk4 s TYR 89 Ca 0.34 1.63 -0.17 0.00 -2.44 0.00 0.00 57.07 56.43 1kk4 s TYR 89 Cb 0.21 -3.18 0.13 0.00 0.35 0.00 0.00 41.96 39.47 1kk4 s TYR 89 CO 0.31 -0.28 1.34 -1.25 -1.34 0.00 0.00 175.55 174.32 1kk4 s PRO 90 N 0.71 3.82 0.19 4.97 0.04 -1.26 -4.85 135.00 138.62 1kk4 s PRO 90 Ca 0.52 -2.03 -0.09 0.00 0.04 0.00 0.00 61.00 59.45 1kk4 s PRO 90 Cb -0.24 -5.08 0.10 0.00 0.04 0.00 0.00 34.50 29.32 1kk4 s PRO 90 CO 0.29 -1.87 1.69 0.74 0.04 0.00 0.00 177.00 177.90 1kk4 h PHE 91 N 8.18 1.18 -0.14 0.56 -1.00 -1.93 -3.10 116.94 120.69 1kk4 h PHE 91 Ca 0.25 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 1kk4 h PHE 91 Cb 0.95 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 40.18 1kk4 h PHE 91 CO 1.18 0.98 0.04 -2.95 -1.61 0.00 0.00 178.31 175.96 1kk4 h ASN 92 N 1.04 0.17 -0.17 2.17 7.08 -1.81 -2.88 115.58 121.19 1kk4 h ASN 92 Ca 0.21 -0.01 -0.00 0.00 -3.08 0.00 0.00 56.30 53.42 1kk4 h ASN 92 Cb 0.43 -0.04 -0.01 0.00 -2.08 0.00 0.00 38.32 36.62 1kk4 h ASN 92 CO 0.01 0.17 0.10 0.25 -2.08 0.00 0.00 177.43 175.89 1kk4 h LEU 93 N 0.20 0.21 -0.21 6.14 5.85 -1.87 -2.22 115.31 123.41 1kk4 h LEU 93 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1kk4 h LEU 93 Cb 0.07 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1kk4 h LEU 93 CO -0.00 0.17 -0.19 0.49 -0.34 0.00 0.00 178.44 178.56 1kk4 n PHE 94 N -4.49 0.00 -0.54 1.25 3.01 -1.09 -5.00 117.46 110.60 1kk4 n PHE 94 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1kk4 n PHE 94 Cb 0.09 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 1kk4 n PHE 94 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kk4 n GLY 95 N 1.36 3.04 4.13 1.37 0.00 -0.83 -4.87 105.19 109.40 1kk4 n GLY 95 Ca 0.11 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1kk4 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kk4 n ASN 96 N 2.78 0.10 0.00 1.61 3.02 -1.26 0.02 115.26 121.52 1kk4 n ASN 96 Ca 0.00 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 1kk4 n ASN 96 Cb 0.00 -2.28 0.00 0.00 -0.61 0.00 0.00 39.78 36.89 1kk4 n ASN 96 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kk4 n GLY 97 N -2.29 3.06 0.18 7.41 0.00 -1.26 -4.91 105.19 107.39 1kk4 n GLY 97 Ca -0.31 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1kk4 n GLY 97 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1kk4 h TRP 98 N 0.00 0.00 -1.01 1.61 6.55 -0.70 -3.28 115.95 119.12 1kk4 h TRP 98 Ca 0.00 0.00 0.29 0.00 0.95 0.00 0.00 58.89 60.13 1kk4 h TRP 98 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.26 1kk4 h TRP 98 CO 0.00 0.00 0.93 0.93 -1.05 0.00 0.00 178.44 179.25 1kk4 h GLU 99 N 0.00 0.00 -0.95 0.49 3.07 -1.71 0.34 114.58 115.81 1kk4 h GLU 99 Ca 0.00 0.00 0.24 0.00 -0.50 0.00 0.00 59.36 59.10 1kk4 h GLU 99 Cb 0.92 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.65 1kk4 h GLU 99 CO 0.00 0.00 -0.03 0.87 -1.40 0.00 0.00 179.01 178.45 1kk4 h LYS 100 N 0.00 0.02 -0.95 2.33 1.57 -1.92 0.01 116.57 117.63 1kk4 h LYS 100 Ca 0.48 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.21 1kk4 h LYS 100 Cb 2.33 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.61 1kk4 h LYS 100 CO -0.01 0.01 0.05 0.72 -0.57 0.00 0.00 179.45 179.66 1kk4 n HIS 101 N -5.49 0.49 -1.69 -1.35 8.25 0.11 -4.93 115.22 110.60 1kk4 n HIS 101 Ca 0.20 -0.40 -0.40 0.00 -0.26 0.00 0.00 57.72 56.86 1kk4 n HIS 101 Cb 0.66 -0.27 0.02 0.00 1.12 0.00 0.00 29.99 31.53 1kk4 n HIS 101 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1kk4 n MET 102 N 0.15 1.67 -3.11 -0.41 0.00 -0.01 -4.58 117.12 110.83 1kk4 n MET 102 Ca 0.08 0.60 -0.37 0.00 0.00 0.00 0.00 57.70 58.02 1kk4 n MET 102 Cb 0.56 -2.34 -0.06 0.00 0.00 0.00 0.00 33.22 31.37 1kk4 n MET 102 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1kk4 s PRO 103 N -2.38 4.29 0.61 2.12 0.04 -1.26 -5.04 135.00 133.39 1kk4 s PRO 103 Ca 0.65 0.89 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 1kk4 s PRO 103 Cb -0.49 -2.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 1kk4 s PRO 103 CO 0.55 0.46 1.05 0.15 0.04 0.00 0.00 177.00 179.24 1kk4 s LYS 104 N -1.73 3.32 0.16 4.56 1.02 -1.26 -4.94 119.74 120.86 1kk4 s LYS 104 Ca 0.40 1.07 -0.17 0.00 0.02 0.00 0.00 55.97 57.29 1kk4 s LYS 104 Cb -0.18 -2.04 0.07 0.00 -0.52 0.00 0.00 37.83 35.16 1kk4 s LYS 104 CO 0.22 -0.80 1.70 -0.07 -0.92 0.00 0.00 175.35 175.47 1kk4 h LEU 105 N 0.14 -0.20 0.00 3.17 3.38 -1.96 -0.90 115.31 118.94 1kk4 h LEU 105 Ca -0.46 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1kk4 h LEU 105 Cb 1.21 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1kk4 h LEU 105 CO 0.58 -0.06 0.00 -0.90 0.09 0.00 0.00 178.44 178.15 1kk4 n ASP 106 N -5.21 0.00 0.00 -0.43 5.68 -1.26 -1.42 116.55 113.91 1kk4 n ASP 106 Ca 0.01 0.20 0.05 0.00 -0.50 0.00 0.00 54.79 54.55 1kk4 n ASP 106 Cb 0.18 -0.25 -0.12 0.00 -1.14 0.00 0.00 41.12 39.79 1kk4 n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kk4 n GLN 107 N -1.25 0.65 -2.72 0.11 6.02 -0.35 -4.91 117.38 114.93 1kk4 n GLN 107 Ca 0.02 -0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 1kk4 n GLN 107 Cb 0.02 -1.63 -0.04 0.00 1.02 0.00 0.00 30.24 29.62 1kk4 n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1kk4 s LEU 108 N -5.08 4.45 -0.41 1.08 1.43 -0.51 -4.70 118.68 114.94 1kk4 s LEU 108 Ca -0.06 1.75 -0.28 0.00 -1.03 0.00 0.00 54.13 54.50 1kk4 s LEU 108 Cb 0.11 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.74 1kk4 s LEU 108 CO 0.86 -0.14 1.61 -2.84 0.23 0.00 0.00 176.35 176.06 1kk4 s PRO 109 N 0.38 3.37 -0.33 1.29 0.02 -1.26 -4.96 135.00 133.51 1kk4 s PRO 109 Ca 0.49 1.07 -0.04 0.00 0.02 0.00 0.00 61.00 62.53 1kk4 s PRO 109 Cb -0.23 -4.13 0.05 0.00 0.02 0.00 0.00 34.50 30.21 1kk4 s PRO 109 CO 0.29 -1.81 0.08 0.42 -0.33 0.00 0.00 177.00 175.64 1kk4 s ILE 110 N 6.38 3.40 0.36 2.83 1.01 -1.26 -4.83 121.20 129.09 1kk4 s ILE 110 Ca 0.68 -1.36 0.35 0.00 0.00 0.00 0.00 60.65 60.33 1kk4 s ILE 110 Cb -0.17 -2.99 0.38 0.00 0.01 0.00 0.00 42.46 39.69 1kk4 s ILE 110 CO 0.31 -0.22 2.13 0.11 0.00 0.00 0.00 174.94 177.27 1kk4 h LYS 111 N 8.11 0.00 0.00 2.79 1.79 -1.93 -3.49 116.57 123.84 1kk4 h LYS 111 Ca -0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1kk4 h LYS 111 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1kk4 h LYS 111 CO 0.59 0.04 0.00 0.41 -1.08 0.00 0.00 179.45 179.41 1kk4 n GLY 112 N -0.49 -0.04 3.83 3.86 0.00 -1.26 -4.62 105.19 106.46 1kk4 n GLY 112 Ca -0.01 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.41 1kk4 n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kk4 s ASP 113 N -4.00 6.91 -0.22 1.61 1.01 -1.26 -3.41 116.67 117.29 1kk4 s ASP 113 Ca 0.00 1.47 -0.08 0.00 0.71 0.00 0.00 52.55 54.65 1kk4 s ASP 113 Cb 0.00 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 1kk4 s ASP 113 CO 0.00 -0.21 0.10 -0.89 0.21 0.00 0.00 175.17 174.38 1kk4 s THR 114 N -1.96 4.84 -0.13 -1.27 2.01 -0.85 -3.34 115.64 114.94 1kk4 s THR 114 Ca 0.55 -0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.54 1kk4 s THR 114 Cb -0.11 -3.24 0.03 0.00 0.01 0.00 0.00 72.50 69.20 1kk4 s THR 114 CO 0.17 0.38 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.80 1kk4 s ILE 115 N 1.02 0.95 -0.25 1.82 1.01 0.12 -0.41 121.20 125.47 1kk4 s ILE 115 Ca 0.05 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 1kk4 s ILE 115 Cb -0.14 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1kk4 s ILE 115 CO 0.03 0.23 0.10 -0.63 0.00 0.00 0.00 174.94 174.67 1kk4 s ILE 116 N 1.72 4.59 0.00 2.92 1.01 0.49 -1.17 121.20 130.76 1kk4 s ILE 116 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1kk4 s ILE 116 Cb -0.14 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1kk4 s ILE 116 CO -0.08 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1kk4 n GLY 117 N 4.80 -3.29 3.91 6.18 0.00 0.15 -0.46 105.19 116.48 1kk4 n GLY 117 Ca -0.16 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 1kk4 n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kk4 s ASN 118 N -2.04 6.15 -1.52 1.61 0.01 -1.26 -2.46 114.94 115.42 1kk4 s ASN 118 Ca 0.00 0.09 -0.08 0.00 -0.71 0.00 0.00 52.86 52.16 1kk4 s ASN 118 Cb 0.00 -1.80 0.06 0.00 0.41 0.00 0.00 41.25 39.93 1kk4 s ASN 118 CO 0.00 0.04 0.59 -0.67 -1.51 0.00 0.00 177.10 175.55 1kk4 n ASP 119 N -0.60 -1.70 -4.61 -1.22 2.03 -0.27 -0.02 116.55 110.15 1kk4 n ASP 119 Ca -0.07 -0.99 -0.34 0.00 0.52 0.00 0.00 54.79 53.90 1kk4 n ASP 119 Cb 0.54 -3.00 -0.10 0.00 -0.72 0.00 0.00 41.12 37.84 1kk4 n ASP 119 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1kk4 s VAL 120 N -3.68 4.14 -0.19 5.18 1.01 -1.25 -2.63 120.40 122.98 1kk4 s VAL 120 Ca 0.31 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 1kk4 s VAL 120 Cb -0.17 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1kk4 s VAL 120 CO 0.90 0.56 -0.06 0.86 0.00 0.00 0.00 175.10 177.36 1kk4 s TRP 121 N -0.45 2.94 -0.23 5.22 -0.00 -0.98 -1.81 118.94 123.63 1kk4 s TRP 121 Ca 0.08 -0.78 0.00 0.00 -0.00 0.00 0.00 56.10 55.40 1kk4 s TRP 121 Cb -0.12 -2.03 0.03 0.00 -0.00 0.00 0.00 33.47 31.35 1kk4 s TRP 121 CO 0.02 -0.40 -0.11 0.42 -0.00 0.00 0.00 176.95 176.88 1kk4 s ILE 122 N 1.08 2.47 1.22 5.86 1.01 -0.87 -0.40 121.20 131.58 1kk4 s ILE 122 Ca 0.01 -1.13 -0.15 0.00 0.00 0.00 0.00 60.65 59.38 1kk4 s ILE 122 Cb -0.15 -2.24 0.30 0.00 0.01 0.00 0.00 42.46 40.39 1kk4 s ILE 122 CO -0.01 0.26 1.01 -0.83 0.00 0.00 0.00 174.94 175.37 1kk4 s GLY 123 N 1.27 1.51 0.58 6.18 0.00 -0.11 -0.70 107.32 116.04 1kk4 s GLY 123 Ca -0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 44.72 44.15 1kk4 s GLY 123 CO -0.07 0.43 1.25 -1.59 0.00 0.00 0.00 173.10 173.11 1kk4 s LYS 124 N -4.68 3.00 -1.14 2.90 -2.85 -1.26 -3.54 119.74 112.18 1kk4 s LYS 124 Ca 0.68 1.94 -0.01 0.00 -1.00 0.00 0.00 55.97 57.58 1kk4 s LYS 124 Cb -0.21 -2.02 0.01 0.00 -2.06 0.00 0.00 37.83 33.55 1kk4 s LYS 124 CO 0.62 -1.21 0.08 -0.25 0.10 0.00 0.00 175.35 174.69 1kk4 n ASP 125 N -1.44 -4.08 -4.73 0.03 8.00 -0.44 0.09 116.55 113.99 1kk4 n ASP 125 Ca 0.13 0.10 -0.40 0.00 0.71 0.00 0.00 54.79 55.33 1kk4 n ASP 125 Cb 0.48 -3.44 -0.04 0.00 -0.02 0.00 0.00 41.12 38.10 1kk4 n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1kk4 s VAL 126 N -2.69 4.85 -0.19 2.53 1.01 -1.23 -3.92 120.40 120.75 1kk4 s VAL 126 Ca 0.06 1.71 -0.06 0.00 0.00 0.00 0.00 61.98 63.68 1kk4 s VAL 126 Cb -0.03 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1kk4 s VAL 126 CO 0.07 0.27 0.04 -0.69 0.00 0.00 0.00 175.10 174.79 1kk4 s VAL 127 N 0.49 4.43 -0.31 2.92 1.01 -0.45 -0.90 120.40 127.59 1kk4 s VAL 127 Ca 0.42 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 1kk4 s VAL 127 Cb -0.20 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.20 1kk4 s VAL 127 CO 0.23 0.43 0.07 -0.63 0.00 0.00 0.00 175.10 175.21 1kk4 s ILE 128 N 0.72 3.71 0.82 2.22 1.01 0.13 -0.83 121.20 128.98 1kk4 s ILE 128 Ca 0.02 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 1kk4 s ILE 128 Cb -0.14 -3.01 0.08 0.00 0.01 0.00 0.00 42.46 39.41 1kk4 s ILE 128 CO 0.02 -0.04 1.09 -0.04 0.00 0.00 0.00 174.94 175.97 1kk4 s MET 129 N 1.42 1.87 0.38 2.79 -1.94 -0.50 -1.42 119.30 121.90 1kk4 s MET 129 Ca -0.00 1.00 -0.27 0.00 -1.71 0.00 0.00 55.69 54.71 1kk4 s MET 129 Cb -0.18 -1.86 -0.09 0.00 2.01 0.00 0.00 34.83 34.70 1kk4 s MET 129 CO 0.02 -1.87 1.32 -2.14 -0.01 0.00 0.00 175.02 172.34 1kk4 s PRO 130 N -4.93 4.09 -0.58 2.03 0.02 -1.03 -4.02 135.00 130.58 1kk4 s PRO 130 Ca 0.62 2.22 -0.03 0.00 0.02 0.00 0.00 61.00 63.82 1kk4 s PRO 130 Cb -0.17 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1kk4 s PRO 130 CO 0.56 -0.41 0.51 0.41 -0.33 0.00 0.00 177.00 177.74 1kk4 n GLY 131 N 0.69 0.27 3.60 0.52 0.00 -1.22 -4.80 105.19 104.25 1kk4 n GLY 131 Ca 0.02 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1kk4 n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kk4 s VAL 132 N -3.14 3.36 -0.09 1.61 1.01 -1.21 -4.82 120.40 117.12 1kk4 s VAL 132 Ca 0.22 -1.63 0.02 0.00 0.00 0.00 0.00 61.98 60.59 1kk4 s VAL 132 Cb -0.10 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1kk4 s VAL 132 CO 0.32 -0.14 -0.13 -0.54 0.00 0.00 0.00 175.10 174.60 1kk4 s LYS 133 N -2.97 1.90 -0.22 2.72 -0.14 -1.26 -0.70 119.74 119.07 1kk4 s LYS 133 Ca 0.26 -0.46 0.01 0.00 -1.36 0.00 0.00 55.97 54.43 1kk4 s LYS 133 Cb -0.09 -1.62 0.04 0.00 -1.68 0.00 0.00 37.83 34.48 1kk4 s LYS 133 CO 0.17 -0.04 -0.15 0.42 -0.76 0.00 0.00 175.35 174.99 1kk4 s ILE 134 N 0.90 2.22 0.76 2.17 1.01 -0.32 -0.40 121.20 127.54 1kk4 s ILE 134 Ca -0.10 -1.20 -0.11 0.00 0.00 0.00 0.00 60.65 59.24 1kk4 s ILE 134 Cb -0.15 -2.10 0.05 0.00 0.01 0.00 0.00 42.46 40.27 1kk4 s ILE 134 CO 0.01 0.29 1.10 -0.83 0.00 0.00 0.00 174.94 175.50 1kk4 s GLY 135 N 1.23 1.77 0.50 6.18 0.00 -0.08 0.30 107.32 117.22 1kk4 s GLY 135 Ca -0.01 0.35 -0.21 0.00 0.00 0.00 0.00 44.72 44.85 1kk4 s GLY 135 CO -0.09 0.70 0.91 1.22 0.00 0.00 0.00 173.10 175.84 1kk4 n ASP 136 N -3.36 0.71 -0.36 1.64 8.00 -1.26 -2.36 116.55 119.55 1kk4 n ASP 136 Ca 0.10 0.91 -0.05 0.00 0.71 0.00 0.00 54.79 56.46 1kk4 n ASP 136 Cb 0.53 -1.33 -0.02 0.00 -0.02 0.00 0.00 41.12 40.27 1kk4 n ASP 136 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kk4 n GLY 137 N 1.32 0.51 3.83 0.44 0.00 0.97 -0.81 105.19 111.45 1kk4 n GLY 137 Ca 0.11 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1kk4 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kk4 s ALA 138 N -1.52 2.28 -0.03 4.61 0.00 -0.99 -3.47 121.76 122.62 1kk4 s ALA 138 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1kk4 s ALA 138 Cb 0.00 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 20.11 1kk4 s ALA 138 CO 0.00 -1.81 0.04 0.42 0.00 0.00 0.00 175.76 174.40 1kk4 s ILE 139 N -3.32 -0.01 -0.20 0.00 1.01 -0.43 -2.33 121.20 115.92 1kk4 s ILE 139 Ca 0.62 0.27 -0.04 0.00 0.00 0.00 0.00 60.65 61.50 1kk4 s ILE 139 Cb -0.13 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 1kk4 s ILE 139 CO 0.52 0.15 -0.04 -0.69 0.00 0.00 0.00 174.94 174.88 1kk4 s VAL 140 N 1.56 3.57 0.43 2.92 1.01 0.47 -0.91 120.40 129.44 1kk4 s VAL 140 Ca -0.03 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 1kk4 s VAL 140 Cb -0.13 -2.60 -0.08 0.00 0.00 0.00 0.00 36.38 33.57 1kk4 s VAL 140 CO -0.03 0.44 1.29 0.00 0.00 0.00 0.00 175.10 176.80 1kk4 s ALA 141 N 1.08 3.18 0.75 5.51 0.00 0.24 -0.94 121.76 131.59 1kk4 s ALA 141 Ca 0.01 1.20 -0.16 0.00 0.00 0.00 0.00 51.96 53.01 1kk4 s ALA 141 Cb -0.15 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1kk4 s ALA 141 CO 0.00 -0.85 0.45 0.00 0.00 0.00 0.00 175.76 175.36 1kk4 n ALA 142 N -0.06 -1.84 -2.97 0.00 0.00 -1.26 -2.75 120.51 111.63 1kk4 n ALA 142 Ca 0.05 -0.30 -0.22 0.00 0.00 0.00 0.00 53.44 52.97 1kk4 n ALA 142 Cb 0.44 -1.81 0.02 0.00 0.00 0.00 0.00 19.45 18.10 1kk4 n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kk4 n ASN 143 N -0.21 -5.47 -4.92 0.00 3.02 0.11 -4.81 115.26 102.99 1kk4 n ASN 143 Ca 0.09 -0.24 -0.21 0.00 -0.03 0.00 0.00 54.58 54.20 1kk4 n ASN 143 Cb 0.50 -4.46 0.06 0.00 -0.61 0.00 0.00 39.78 35.27 1kk4 n ASN 143 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1kk4 s SER 144 N -2.57 5.07 -0.25 6.41 0.01 -1.11 -4.68 113.70 116.59 1kk4 s SER 144 Ca 0.26 -0.37 -0.04 0.00 1.31 0.00 0.00 55.95 57.11 1kk4 s SER 144 Cb -0.12 -0.34 0.09 0.00 0.21 0.00 0.00 66.02 65.86 1kk4 s SER 144 CO 0.32 -1.30 0.15 -0.69 0.41 0.00 0.00 173.24 172.14 1kk4 s VAL 145 N -2.76 -0.15 -0.53 3.43 1.01 -0.27 -1.35 120.40 119.79 1kk4 s VAL 145 Ca 0.60 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.83 1kk4 s VAL 145 Cb -0.08 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.50 1kk4 s VAL 145 CO 0.39 -0.51 1.04 -0.69 0.00 0.00 0.00 175.10 175.33 1kk4 s VAL 146 N 2.17 4.27 -0.49 2.92 1.01 -0.01 -0.96 120.40 129.32 1kk4 s VAL 146 Ca 0.07 0.73 0.16 0.00 0.00 0.00 0.00 61.98 62.95 1kk4 s VAL 146 Cb -0.16 -4.58 -0.21 0.00 0.00 0.00 0.00 36.38 31.43 1kk4 s VAL 146 CO -0.26 -1.10 0.57 1.33 0.00 0.00 0.00 175.10 175.64 1kk4 n VAL 147 N 6.50 0.00 -4.11 2.92 0.24 -1.26 -1.41 118.33 121.20 1kk4 n VAL 147 Ca 0.07 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 1kk4 n VAL 147 Cb 0.48 0.67 -0.08 0.00 -1.47 0.00 0.00 33.84 33.44 1kk4 n VAL 147 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1kk4 s LYS 148 N -2.77 1.31 1.01 7.34 -2.85 -1.26 -4.96 119.74 117.56 1kk4 s LYS 148 Ca 0.02 -1.46 -0.13 0.00 -1.00 0.00 0.00 55.97 53.39 1kk4 s LYS 148 Cb 0.12 0.35 0.13 0.00 -2.06 0.00 0.00 37.83 36.36 1kk4 s LYS 148 CO 0.68 -0.48 0.67 -0.25 0.10 0.00 0.00 175.35 176.07 1kk4 n ASP 149 N -0.30 -1.34 -3.69 0.03 9.92 -1.26 -4.71 116.55 115.20 1kk4 n ASP 149 Ca -0.00 0.19 -0.18 0.00 -0.53 0.00 0.00 54.79 54.27 1kk4 n ASP 149 Cb 0.64 -1.26 -0.17 0.00 -0.64 0.00 0.00 41.12 39.70 1kk4 n ASP 149 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1kk4 s ILE 150 N -2.44 -0.14 0.92 0.53 1.01 0.47 -4.95 121.20 116.59 1kk4 s ILE 150 Ca 0.62 0.35 -0.10 0.00 0.00 0.00 0.00 60.65 61.51 1kk4 s ILE 150 Cb -0.21 -0.19 0.15 0.00 0.01 0.00 0.00 42.46 42.21 1kk4 s ILE 150 CO 0.64 0.15 1.13 0.00 0.00 0.00 0.00 174.94 176.86 1kk4 s ALA 151 N 1.94 1.39 0.39 9.38 0.00 -1.26 -0.90 121.76 132.70 1kk4 s ALA 151 Ca 0.01 0.49 -0.25 0.00 0.00 0.00 0.00 51.96 52.20 1kk4 s ALA 151 Cb -0.12 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 1kk4 s ALA 151 CO -0.04 -2.75 1.18 -2.14 0.00 0.00 0.00 175.76 172.01 1kk4 s PRO 152 N -4.67 4.08 -1.71 0.00 0.02 -1.26 -3.60 135.00 127.86 1kk4 s PRO 152 Ca 0.66 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1kk4 s PRO 152 Cb -0.22 -2.71 0.00 0.00 0.02 0.00 0.00 34.50 31.59 1kk4 s PRO 152 CO 0.58 -0.31 0.00 0.66 -0.33 0.00 0.00 177.00 177.61 1kk4 n TYR 153 N 0.13 -0.78 -4.10 6.54 4.02 0.01 -4.86 117.16 118.12 1kk4 n TYR 153 Ca 0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.60 1kk4 n TYR 153 Cb 0.46 -3.67 -0.07 0.00 -0.02 0.00 0.00 39.34 36.04 1kk4 n TYR 153 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1kk4 s MET 154 N -4.76 3.11 -0.26 -0.72 -1.94 -1.24 -0.67 119.30 112.83 1kk4 s MET 154 Ca 0.00 -0.44 -0.11 0.00 -1.71 0.00 0.00 55.69 53.43 1kk4 s MET 154 Cb 0.00 -2.89 -0.05 0.00 2.01 0.00 0.00 34.83 33.90 1kk4 s MET 154 CO 0.00 0.66 0.19 -1.17 -0.01 0.00 0.00 175.02 174.69 1kk4 s LEU 155 N -1.62 4.07 0.17 -0.03 2.96 -1.09 -1.31 118.68 121.83 1kk4 s LEU 155 Ca 0.22 0.08 0.07 0.00 -0.22 0.00 0.00 54.13 54.28 1kk4 s LEU 155 Cb -0.12 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1kk4 s LEU 155 CO 0.12 0.01 -0.15 0.00 -1.32 0.00 0.00 176.35 175.01 1kk4 s ALA 156 N 1.39 1.84 -0.00 5.97 0.00 -0.09 -0.19 121.76 130.68 1kk4 s ALA 156 Ca 0.08 -1.53 -0.30 0.00 0.00 0.00 0.00 51.96 50.21 1kk4 s ALA 156 Cb -0.15 -0.09 0.11 0.00 0.00 0.00 0.00 23.12 22.99 1kk4 s ALA 156 CO 0.07 0.09 1.12 0.20 0.00 0.00 0.00 175.76 177.24 1kk4 s GLY 157 N -2.99 -0.35 0.00 0.00 0.00 -0.59 -0.59 107.32 102.81 1kk4 s GLY 157 Ca 0.18 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1kk4 s GLY 157 CO 0.05 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.97 1kk4 n GLY 158 N -0.36 -1.22 2.90 0.20 0.00 -1.26 -0.24 105.19 105.20 1kk4 n GLY 158 Ca -0.06 -2.19 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 1kk4 n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kk4 s ASN 159 N -2.54 0.50 0.41 1.61 2.47 -1.26 -1.11 114.94 115.02 1kk4 s ASN 159 Ca 0.00 -0.35 -0.25 0.00 0.42 0.00 0.00 52.86 52.68 1kk4 s ASN 159 Cb 0.00 1.05 -0.08 0.00 -1.45 0.00 0.00 41.25 40.77 1kk4 s ASN 159 CO 0.00 -0.35 1.27 -2.16 -3.72 0.00 0.00 177.10 172.13 1kk4 s PRO 160 N 2.53 3.94 0.31 0.43 0.04 -1.26 -5.02 135.00 135.96 1kk4 s PRO 160 Ca 0.10 2.07 -0.29 0.00 0.04 0.00 0.00 61.00 62.91 1kk4 s PRO 160 Cb -0.13 -2.70 -0.11 0.00 0.04 0.00 0.00 34.50 31.61 1kk4 s PRO 160 CO -0.29 -0.49 1.51 0.00 0.04 0.00 0.00 177.00 177.77 1kk4 s ALA 161 N -1.31 3.65 0.05 8.56 0.00 -0.13 -4.93 121.76 127.65 1kk4 s ALA 161 Ca 0.58 1.49 0.04 0.00 0.00 0.00 0.00 51.96 54.07 1kk4 s ALA 161 Cb -0.36 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.13 1kk4 s ALA 161 CO 0.46 -0.92 -0.13 -0.80 0.00 0.00 0.00 175.76 174.38 1kk4 s ASN 162 N 0.22 1.48 0.23 0.00 0.01 0.67 -4.78 114.94 112.77 1kk4 s ASN 162 Ca 0.58 -0.52 -0.30 0.00 -0.71 0.00 0.00 52.86 51.91 1kk4 s ASN 162 Cb -0.45 -0.06 -0.10 0.00 0.41 0.00 0.00 41.25 41.05 1kk4 s ASN 162 CO 0.51 -0.05 1.43 -1.61 -1.51 0.00 0.00 177.10 175.87 1kk4 s GLU 163 N -1.41 4.28 -0.19 -0.60 2.02 -1.26 -1.54 118.70 119.99 1kk4 s GLU 163 Ca -0.02 2.27 -0.10 0.00 0.02 0.00 0.00 54.97 57.13 1kk4 s GLU 163 Cb -0.09 -3.13 -0.08 0.00 0.10 0.00 0.00 34.13 30.93 1kk4 s GLU 163 CO 0.01 -0.41 -0.26 -0.89 0.02 0.00 0.00 175.26 173.73 1kk4 n ILE 164 N 2.57 1.14 -3.64 -1.63 5.41 0.74 -4.94 119.36 119.01 1kk4 n ILE 164 Ca 0.07 -0.23 -0.09 0.00 1.00 0.00 0.00 62.75 63.50 1kk4 n ILE 164 Cb 0.40 -1.81 -0.07 0.00 -0.71 0.00 0.00 39.64 37.45 1kk4 n ILE 164 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1kk4 s LYS 165 N -2.40 0.58 0.27 0.38 2.20 -1.21 -5.03 119.74 114.53 1kk4 s LYS 165 Ca -0.28 0.77 -0.31 0.00 -0.36 0.00 0.00 55.97 55.80 1kk4 s LYS 165 Cb 0.10 0.24 -0.12 0.00 -1.51 0.00 0.00 37.83 36.54 1kk4 s LYS 165 CO 0.35 -0.08 1.54 1.04 -0.36 0.00 0.00 175.35 177.84 1kk4 n GLN 166 N 2.81 2.48 -0.23 4.03 6.02 -1.26 -2.69 117.38 128.55 1kk4 n GLN 166 Ca -0.15 0.88 -0.04 0.00 -0.01 0.00 0.00 57.00 57.68 1kk4 n GLN 166 Cb 0.56 -2.63 0.13 0.00 1.02 0.00 0.00 30.24 29.32 1kk4 n GLN 166 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1kk4 h ARG 167 N 4.75 1.04 -4.69 -1.09 3.08 -1.24 -3.46 114.38 112.78 1kk4 h ARG 167 Ca -0.46 -0.19 -0.29 0.00 0.07 0.00 0.00 59.98 59.11 1kk4 h ARG 167 Cb 1.24 -0.17 -0.15 0.00 0.08 0.00 0.00 29.97 30.97 1kk4 h ARG 167 CO 0.79 0.87 -0.61 -0.06 -1.07 0.00 0.00 179.97 179.89 1kk4 s PHE 168 N -5.43 1.31 0.56 3.04 0.40 -1.26 -5.12 117.98 111.48 1kk4 s PHE 168 Ca -0.11 -1.35 -0.19 0.00 -0.60 0.00 0.00 56.93 54.68 1kk4 s PHE 168 Cb 0.16 -0.66 -0.05 0.00 0.51 0.00 0.00 43.02 42.97 1kk4 s PHE 168 CO 0.82 -0.58 1.15 0.16 0.70 0.00 0.00 175.22 177.48 1kk4 s ASP 169 N -3.22 5.53 0.20 1.36 1.47 -1.26 -4.82 116.67 115.92 1kk4 s ASP 169 Ca 0.39 2.24 -0.20 0.00 1.18 0.00 0.00 52.55 56.15 1kk4 s ASP 169 Cb 0.07 -2.59 0.15 0.00 -0.34 0.00 0.00 42.92 40.21 1kk4 s ASP 169 CO 0.14 -1.35 1.57 1.56 0.68 0.00 0.00 175.17 177.76 1kk4 h GLN 170 N 1.06 -0.11 0.00 2.11 1.08 -2.00 -2.41 115.11 114.84 1kk4 h GLN 170 Ca -0.50 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1kk4 h GLN 170 Cb 1.27 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1kk4 h GLN 170 CO 0.56 -0.07 0.00 -3.47 -0.95 0.00 0.00 178.83 174.90 1kk4 n ASP 171 N -5.44 0.00 -0.39 1.46 -0.08 -1.26 -1.08 116.55 109.75 1kk4 n ASP 171 Ca 0.06 0.50 -0.11 0.00 -1.51 0.00 0.00 54.79 53.73 1kk4 n ASP 171 Cb 0.37 -0.18 -0.09 0.00 2.34 0.00 0.00 41.12 43.55 1kk4 n ASP 171 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1kk4 h THR 172 N 0.00 0.00 -0.39 5.18 2.02 -1.81 -1.73 112.91 116.19 1kk4 h THR 172 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1kk4 h THR 172 Cb 0.00 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.32 1kk4 h THR 172 CO 0.00 0.00 -0.26 0.40 0.37 0.00 0.00 175.52 176.03 1kk4 h ILE 173 N -0.03 0.33 -0.62 3.11 2.04 -0.88 0.36 117.51 121.81 1kk4 h ILE 173 Ca 0.16 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.14 1kk4 h ILE 173 Cb 0.44 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 1kk4 h ILE 173 CO -0.91 0.00 0.14 0.78 0.00 0.00 0.00 178.15 178.15 1kk4 h ASN 174 N -0.19 0.01 -0.26 1.72 -0.26 -0.25 1.66 115.58 118.01 1kk4 h ASN 174 Ca 0.18 0.12 -0.03 0.00 -0.56 0.00 0.00 56.30 56.01 1kk4 h ASN 174 Cb 0.48 0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.89 1kk4 h ASN 174 CO -0.50 0.00 0.03 1.56 -1.06 0.00 0.00 177.43 177.47 1kk4 h GLN 175 N 0.26 0.44 -0.16 0.81 4.20 -0.91 -1.62 115.11 118.14 1kk4 h GLN 175 Ca 0.33 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.95 1kk4 h GLN 175 Cb 0.50 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 1kk4 h GLN 175 CO -0.42 0.58 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.17 1kk4 h LEU 176 N 0.25 -0.27 0.00 1.46 3.38 0.19 0.84 115.31 121.15 1kk4 h LEU 176 Ca 0.08 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1kk4 h LEU 176 Cb 0.36 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1kk4 h LEU 176 CO 0.01 -0.11 0.00 0.18 0.09 0.00 0.00 178.44 178.61 1kk4 n LEU 177 N -5.23 0.00 -0.14 1.67 4.77 0.54 -2.84 117.00 115.78 1kk4 n LEU 177 Ca -0.03 0.26 -0.28 0.00 -0.03 0.00 0.00 56.01 55.92 1kk4 n LEU 177 Cb 0.15 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.89 1kk4 n LEU 177 CO 0.24 -0.15 -1.43 -0.67 -1.33 0.00 0.00 177.39 174.05 1kk4 n ASP 178 N -1.26 1.92 -0.08 -1.43 -0.08 0.12 -4.58 116.55 111.15 1kk4 n ASP 178 Ca 0.06 0.30 -0.06 0.00 -1.51 0.00 0.00 54.79 53.58 1kk4 n ASP 178 Cb 0.10 -0.77 0.00 0.00 2.34 0.00 0.00 41.12 42.79 1kk4 n ASP 178 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1kk4 h ILE 179 N -0.91 0.76 -5.77 5.18 2.04 0.52 -3.47 117.51 115.86 1kk4 h ILE 179 Ca -0.68 -0.02 -0.37 0.00 1.00 0.00 0.00 64.86 64.78 1kk4 h ILE 179 Cb 1.63 0.68 0.15 0.00 -0.74 0.00 0.00 36.82 38.53 1kk4 h ILE 179 CO -0.40 0.01 -0.73 0.29 0.00 0.00 0.00 178.15 177.33 1kk4 n LYS 180 N -5.19 -7.20 -0.21 2.37 5.02 -1.13 -4.89 118.16 106.94 1kk4 n LYS 180 Ca 0.00 0.83 0.31 0.00 -2.02 0.00 0.00 58.31 57.43 1kk4 n LYS 180 Cb 0.16 -5.85 0.72 0.00 -0.02 0.00 0.00 35.03 30.04 1kk4 n LYS 180 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1kk4 h TRP 181 N -2.28 0.00 0.00 2.13 5.08 -1.91 0.42 115.95 119.39 1kk4 h TRP 181 Ca -0.58 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.39 1kk4 h TRP 181 Cb 1.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.52 1kk4 h TRP 181 CO 0.47 0.00 0.00 0.11 -1.28 0.00 0.00 178.44 177.74 1kk4 h TRP 182 N 0.00 0.00 -0.01 0.12 0.09 -1.97 -1.75 115.95 112.43 1kk4 h TRP 182 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.44 1kk4 h TRP 182 Cb 1.99 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.23 1kk4 h TRP 182 CO 0.00 0.00 -0.48 0.09 0.09 0.00 0.00 178.44 178.14 1kk4 n ASN 183 N -2.51 1.38 -4.78 0.11 3.02 0.15 -4.95 115.26 107.68 1kk4 n ASN 183 Ca -0.00 -1.10 -0.34 0.00 -0.03 0.00 0.00 54.58 53.12 1kk4 n ASN 183 Cb 0.16 0.41 0.02 0.00 -0.61 0.00 0.00 39.78 39.77 1kk4 n ASN 183 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1kk4 s TRP 184 N -2.62 2.69 0.11 3.10 0.51 -0.66 -4.94 118.94 117.14 1kk4 s TRP 184 Ca 0.18 1.54 -0.31 0.00 -2.12 0.00 0.00 56.10 55.40 1kk4 s TRP 184 Cb 0.18 -3.19 -0.10 0.00 -0.81 0.00 0.00 33.47 29.55 1kk4 s TRP 184 CO 0.61 -1.55 1.86 -2.14 -0.51 0.00 0.00 176.95 175.22 1kk4 s PRO 185 N -3.79 4.13 0.00 4.98 0.02 -1.26 -4.86 135.00 134.23 1kk4 s PRO 185 Ca 0.69 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.32 1kk4 s PRO 185 Cb -0.21 -3.69 0.00 0.00 0.02 0.00 0.00 34.50 30.62 1kk4 s PRO 185 CO 0.35 -0.87 0.37 1.51 -0.33 0.00 0.00 177.00 178.04 1kk4 n ILE 186 N 4.87 0.00 -0.06 2.83 3.06 -1.26 -1.39 119.36 127.42 1kk4 n ILE 186 Ca 0.18 0.79 0.05 0.00 -2.50 0.00 0.00 62.75 61.27 1kk4 n ILE 186 Cb 0.38 -1.20 0.07 0.00 0.54 0.00 0.00 39.64 39.43 1kk4 n ILE 186 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1kk4 n ASP 187 N -0.83 0.01 -0.04 9.51 8.00 -1.26 0.48 116.55 132.43 1kk4 n ASP 187 Ca 0.00 0.11 -0.16 0.00 0.71 0.00 0.00 54.79 55.45 1kk4 n ASP 187 Cb 0.00 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 40.97 1kk4 n ASP 187 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1kk4 h ILE 188 N 0.00 1.32 -0.50 0.53 5.03 -1.60 -3.20 117.51 119.10 1kk4 h ILE 188 Ca 0.09 -1.82 -0.08 0.00 -0.12 0.00 0.00 64.86 62.93 1kk4 h ILE 188 Cb 0.32 2.02 -0.02 0.00 -3.03 0.00 0.00 36.82 36.11 1kk4 h ILE 188 CO -0.02 0.57 -0.00 0.40 -0.68 0.00 0.00 178.15 178.42 1kk4 h ILE 189 N 0.33 1.25 -0.31 -0.67 2.04 1.09 -2.37 117.51 118.86 1kk4 h ILE 189 Ca -0.03 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 64.87 1kk4 h ILE 189 Cb 1.20 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1kk4 h ILE 189 CO 0.12 0.37 0.22 0.78 0.00 0.00 0.00 178.15 179.64 1kk4 h ASN 190 N 0.78 0.08 0.52 1.72 2.35 -1.46 -0.02 115.58 119.55 1kk4 h ASN 190 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1kk4 h ASN 190 Cb 0.47 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1kk4 h ASN 190 CO 0.02 0.05 -0.27 -0.62 -1.65 0.00 0.00 177.43 174.96 1kk4 n GLU 191 N -4.46 0.29 0.00 0.81 1.02 -0.90 -4.04 120.64 113.35 1kk4 n GLU 191 Ca 0.04 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1kk4 n GLU 191 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1kk4 n GLU 191 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1kk4 n ASN 192 N -1.24 1.43 -0.29 1.62 3.02 -0.17 -4.79 115.26 114.84 1kk4 n ASN 192 Ca 0.09 -1.57 0.05 0.00 -0.03 0.00 0.00 54.58 53.12 1kk4 n ASN 192 Cb 0.32 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.64 1kk4 n ASN 192 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1kk4 h ILE 193 N 0.32 0.18 -0.64 2.41 2.04 -1.29 0.44 117.51 120.96 1kk4 h ILE 193 Ca 0.00 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1kk4 h ILE 193 Cb 0.40 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 1kk4 h ILE 193 CO 0.00 0.00 0.35 0.44 0.00 0.00 0.00 178.15 178.95 1kk4 h ASP 194 N 0.02 0.52 0.15 1.72 3.32 -1.88 0.38 116.42 120.65 1kk4 h ASP 194 Ca 0.43 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.45 1kk4 h ASP 194 Cb 0.72 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1kk4 h ASP 194 CO -0.83 0.34 -0.22 0.11 -1.72 0.00 0.00 179.24 176.92 1kk4 h LYS 195 N 0.66 0.14 0.04 3.56 1.57 -0.63 -2.50 116.57 119.41 1kk4 h LYS 195 Ca 0.28 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.76 1kk4 h LYS 195 Cb 0.16 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.47 1kk4 h LYS 195 CO -0.17 0.37 -1.07 0.82 -0.57 0.00 0.00 179.45 178.82 1kk4 h ILE 196 N 0.13 1.36 0.00 1.86 2.04 0.79 -0.78 117.51 122.91 1kk4 h ILE 196 Ca 0.02 -2.48 -0.04 0.00 1.00 0.00 0.00 64.86 63.36 1kk4 h ILE 196 Cb 0.48 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 1kk4 h ILE 196 CO 0.03 0.75 -0.20 -0.07 0.00 0.00 0.00 178.15 178.66 1kk4 h LEU 197 N 0.26 0.00 -3.03 1.44 3.38 0.07 -2.99 115.31 114.44 1kk4 h LEU 197 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1kk4 h LEU 197 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1kk4 h LEU 197 CO 0.20 0.20 0.00 -0.90 0.09 0.00 0.00 178.44 178.02 1kk4 n ASP 198 N -3.98 2.63 0.00 -0.43 5.68 -0.98 -4.99 116.55 114.48 1kk4 n ASP 198 Ca -0.02 -2.53 0.00 0.00 -0.50 0.00 0.00 54.79 51.74 1kk4 n ASP 198 Cb 0.28 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1kk4 n ASP 198 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1kk4 n ASN 199 N -0.61 -0.54 0.00 -1.12 4.13 -0.85 -4.85 115.26 111.42 1kk4 n ASN 199 Ca 0.11 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.42 1kk4 n ASN 199 Cb 0.52 -1.54 0.25 0.00 -1.54 0.00 0.00 39.78 37.48 1kk4 n ASN 199 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1kk4 n SER 200 N -0.07 0.00 0.06 6.41 3.41 -0.36 -3.00 113.62 120.08 1kk4 n SER 200 Ca 0.00 0.12 0.06 0.00 -0.26 0.00 0.00 58.87 58.79 1kk4 n SER 200 Cb 0.03 -0.27 0.49 0.00 -0.26 0.00 0.00 64.21 64.20 1kk4 n SER 200 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1kk4 h ILE 201 N 0.00 1.06 -0.41 -1.33 2.10 -1.75 -2.57 117.51 114.60 1kk4 h ILE 201 Ca 0.00 -0.13 0.08 0.00 1.08 0.00 0.00 64.86 65.89 1kk4 h ILE 201 Cb 0.09 0.63 -0.08 0.00 -1.09 0.00 0.00 36.82 36.37 1kk4 h ILE 201 CO 0.00 0.07 -0.11 0.40 -1.08 0.00 0.00 178.15 177.44 1kk4 h ILE 202 N 0.39 0.58 -0.39 2.19 2.04 -1.86 -2.70 117.51 117.76 1kk4 h ILE 202 Ca 0.12 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.06 1kk4 h ILE 202 Cb 0.01 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 36.58 1kk4 h ILE 202 CO -0.03 0.00 -0.20 0.03 0.00 0.00 0.00 178.15 177.95 1kk4 h ARG 203 N -0.00 -0.13 0.68 2.37 3.08 -1.72 -3.14 114.38 115.52 1kk4 h ARG 203 Ca 0.20 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 1kk4 h ARG 203 Cb 0.31 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.39 1kk4 h ARG 203 CO -0.43 -0.09 -0.33 0.93 -1.07 0.00 0.00 179.97 178.99 1kk4 h GLU 204 N -0.13 -0.88 -0.02 0.04 4.39 -1.57 -3.54 114.58 112.87 1kk4 h GLU 204 Ca 0.19 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1kk4 h GLU 204 Cb 0.43 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1kk4 h GLU 204 CO -0.48 -0.58 0.00 1.33 -1.16 0.00 0.00 179.01 178.12