#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 -1.98 3.49 -5.12 0.00 -1.26 -4.95 105.19 95.37 1kk4 n GLY 2 Ca 0.00 -1.38 -0.21 0.00 0.00 0.00 0.00 46.02 44.43 1kk4 n GLY 2 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kk4 n PRO 3 N -0.27 -0.10 -3.42 1.61 -0.04 -1.26 -5.07 135.00 126.47 1kk4 n PRO 3 Ca 0.00 -2.41 -0.42 0.00 -0.04 0.00 0.00 63.50 60.63 1kk4 n PRO 3 Cb 0.00 -0.63 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 1kk4 n PRO 3 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1kk4 s ASN 4 N -4.69 6.14 0.61 3.54 3.84 -1.26 -4.95 114.94 118.18 1kk4 s ASN 4 Ca 0.60 -0.59 0.23 0.00 0.21 0.00 0.00 52.86 53.31 1kk4 s ASN 4 Cb -0.03 -2.18 1.26 0.00 -0.55 0.00 0.00 41.25 39.74 1kk4 s ASN 4 CO 0.40 -0.43 1.69 1.55 -2.79 0.00 0.00 177.10 177.52 1kk4 h PRO 5 N 8.60 0.00 0.00 0.43 0.13 -1.98 0.24 132.00 139.42 1kk4 h PRO 5 Ca -0.28 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.67 1kk4 h PRO 5 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1kk4 h PRO 5 CO 0.72 0.00 -0.86 0.52 -0.23 0.00 0.00 178.00 178.15 1kk4 h MET 6 N 0.00 0.00 -6.19 0.86 2.86 -1.92 -3.42 114.93 107.12 1kk4 h MET 6 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 1kk4 h MET 6 Cb 0.85 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 1kk4 h MET 6 CO 0.00 0.82 1.31 0.21 1.06 0.00 0.00 176.91 180.30 1kk4 s LYS 7 N -2.79 3.64 0.30 1.72 2.20 0.83 -4.70 119.74 120.94 1kk4 s LYS 7 Ca 0.02 2.10 0.04 0.00 -0.36 0.00 0.00 55.97 57.77 1kk4 s LYS 7 Cb 0.09 -4.21 0.67 0.00 -1.51 0.00 0.00 37.83 32.87 1kk4 s LYS 7 CO 0.80 -1.51 1.81 0.52 -0.36 0.00 0.00 175.35 176.60 1kk4 h MET 8 N 12.41 0.83 -3.15 4.03 2.86 -1.86 -3.27 114.93 126.78 1kk4 h MET 8 Ca -0.42 -0.05 -0.63 0.00 -2.06 0.00 0.00 59.70 56.55 1kk4 h MET 8 Cb 1.21 -0.19 -0.41 0.00 0.06 0.00 0.00 31.60 32.27 1kk4 h MET 8 CO 0.97 0.55 -0.63 0.71 1.06 0.00 0.00 176.91 179.57 1kk4 s TYR 9 N -5.89 3.15 0.15 -0.22 1.51 -1.26 -1.33 117.35 113.46 1kk4 s TYR 9 Ca -0.11 -3.14 -0.18 0.00 -1.01 0.00 0.00 57.07 52.62 1kk4 s TYR 9 Cb 0.24 -2.58 0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1kk4 s TYR 9 CO 0.80 -0.65 1.69 -1.00 -1.11 0.00 0.00 175.55 175.28 1kk4 h PRO 10 N 5.94 0.02 -6.14 -1.71 0.13 -1.81 -3.41 132.00 125.01 1kk4 h PRO 10 Ca 0.05 -0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.61 1kk4 h PRO 10 Cb 0.83 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.90 1kk4 h PRO 10 CO 0.67 0.01 0.65 0.42 -0.23 0.00 0.00 178.00 179.52 1kk4 s ILE 11 N -6.21 4.75 0.33 -3.56 1.01 -1.26 -4.99 121.20 111.27 1kk4 s ILE 11 Ca -0.14 1.99 -0.29 0.00 0.00 0.00 0.00 60.65 62.22 1kk4 s ILE 11 Cb 0.12 -4.29 -0.11 0.00 0.01 0.00 0.00 42.46 38.19 1kk4 s ILE 11 CO 0.70 -0.08 1.47 -0.70 0.00 0.00 0.00 174.94 176.32 1kk4 s GLU 12 N 2.57 4.18 -0.94 2.79 2.12 -1.26 -3.33 118.70 124.83 1kk4 s GLU 12 Ca 0.45 2.46 -0.07 0.00 0.36 0.00 0.00 54.97 58.17 1kk4 s GLU 12 Cb -0.17 -3.02 -0.02 0.00 0.26 0.00 0.00 34.13 31.18 1kk4 s GLU 12 CO 0.12 -0.47 0.77 0.41 -0.54 0.00 0.00 175.26 175.56 1kk4 n GLY 13 N 1.14 -1.17 3.15 -1.50 0.00 -1.26 -5.01 105.19 100.55 1kk4 n GLY 13 Ca 0.03 0.52 0.06 0.00 0.00 0.00 0.00 46.02 46.62 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 -3.22 -0.19 -0.30 1.61 3.84 -1.21 -5.04 114.94 110.42 1kk4 s ASN 14 Ca 0.25 0.09 0.10 0.00 0.21 0.00 0.00 52.86 53.52 1kk4 s ASN 14 Cb -0.06 1.15 0.66 0.00 -0.55 0.00 0.00 41.25 42.44 1kk4 s ASN 14 CO 0.79 -0.04 1.68 0.29 -2.79 0.00 0.00 177.10 177.04 1kk4 n LYS 15 N 5.39 3.09 -0.08 0.43 5.02 -1.26 -4.50 118.16 126.24 1kk4 n LYS 15 Ca -0.04 -3.06 -0.08 0.00 -2.02 0.00 0.00 58.31 53.11 1kk4 n LYS 15 Cb 0.55 -2.07 -0.03 0.00 -0.02 0.00 0.00 35.03 33.47 1kk4 n LYS 15 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kk4 n SER 16 N -0.50 1.72 -4.74 4.39 2.88 -1.26 -4.83 113.62 111.28 1kk4 n SER 16 Ca 0.38 0.34 -0.41 0.00 -1.33 0.00 0.00 58.87 57.85 1kk4 n SER 16 Cb 1.26 -0.73 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 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 -2.63 3.60 0.06 2.46 1.01 -1.26 -1.37 120.40 122.28 1kk4 s VAL 17 Ca -0.24 1.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.98 1kk4 s VAL 17 Cb 0.03 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1kk4 s VAL 17 CO 0.36 0.23 0.29 0.00 0.00 0.00 0.00 175.10 175.98 1kk4 s GLN 18 N -0.38 0.83 -0.24 2.72 -2.07 -1.03 -4.59 119.66 114.90 1kk4 s GLN 18 Ca 0.51 -0.58 -0.18 0.00 -1.82 0.00 0.00 55.36 53.29 1kk4 s GLN 18 Cb -0.32 0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 31.93 1kk4 s GLN 18 CO 0.37 -0.27 0.51 -0.06 -1.32 0.00 0.00 175.29 174.51 1kk4 s PHE 19 N -2.82 3.30 0.07 9.60 2.99 -0.44 -1.41 117.98 129.27 1kk4 s PHE 19 Ca -0.03 0.67 -0.29 0.00 0.00 0.00 0.00 56.93 57.28 1kk4 s PHE 19 Cb 0.00 -2.69 -0.17 0.00 0.00 0.00 0.00 43.02 40.16 1kk4 s PHE 19 CO -0.05 -0.21 1.64 0.82 -0.00 0.00 0.00 175.22 177.42 1kk4 h ILE 20 N 5.30 0.59 -1.00 0.64 2.04 -1.60 -3.30 117.51 120.18 1kk4 h ILE 20 Ca -0.31 -0.04 0.21 0.00 1.00 0.00 0.00 64.86 65.72 1kk4 h ILE 20 Cb 1.15 0.61 -0.19 0.00 -0.74 0.00 0.00 36.82 37.65 1kk4 h ILE 20 CO 0.72 0.01 -0.22 1.17 0.00 0.00 0.00 178.15 179.83 1kk4 n LYS 21 N -5.32 -0.09 -0.33 2.37 4.81 -1.26 -0.65 118.16 117.69 1kk4 n LYS 21 Ca -0.11 1.55 0.06 0.00 -0.87 0.00 0.00 58.31 58.95 1kk4 n LYS 21 Cb 0.24 -2.33 0.26 0.00 0.02 0.00 0.00 35.03 33.22 1kk4 n LYS 21 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1kk4 h PRO 22 N 0.00 0.95 0.17 1.64 0.11 -1.80 -2.35 132.00 130.72 1kk4 h PRO 22 Ca 0.49 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.54 1kk4 h PRO 22 Cb 0.79 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1kk4 h PRO 22 CO -1.02 0.63 -0.08 0.82 -0.21 0.00 0.00 178.00 178.14 1kk4 h ILE 23 N 0.98 0.27 -0.40 4.15 2.04 -1.03 -3.40 117.51 120.12 1kk4 h ILE 23 Ca 0.45 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 1kk4 h ILE 23 Cb 0.40 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1kk4 h ILE 23 CO -0.21 0.08 -0.08 -0.07 0.00 0.00 0.00 178.15 177.87 1kk4 h LEU 24 N -1.03 0.66 -1.73 1.44 3.38 -1.36 -3.22 115.31 113.45 1kk4 h LEU 24 Ca -0.02 -0.18 0.35 0.00 0.09 0.00 0.00 57.88 58.12 1kk4 h LEU 24 Cb 0.31 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 1kk4 h LEU 24 CO 0.04 0.79 0.84 -0.33 0.09 0.00 0.00 178.44 179.87 1kk4 h GLU 25 N 0.63 0.13 -1.48 1.13 5.08 -1.62 0.81 114.58 119.25 1kk4 h GLU 25 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1kk4 h GLU 25 Cb 0.52 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1kk4 h GLU 25 CO 0.03 0.08 0.00 1.63 -1.00 0.00 0.00 179.01 179.75 1kk4 n LYS 26 N -4.36 0.54 -4.16 2.33 4.76 -1.22 -4.61 118.16 111.44 1kk4 n LYS 26 Ca 0.28 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.54 1kk4 n LYS 26 Cb 1.21 -1.23 -0.12 0.00 -1.84 0.00 0.00 35.03 33.05 1kk4 n LYS 26 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1kk4 s LEU 27 N 0.00 2.27 0.29 -0.35 1.43 0.28 -5.15 118.68 117.45 1kk4 s LEU 27 Ca 0.00 -0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 52.41 1kk4 s LEU 27 Cb 0.00 -0.49 -0.06 0.00 0.03 0.00 0.00 46.19 45.67 1kk4 s LEU 27 CO 0.00 -0.09 0.59 -0.70 0.23 0.00 0.00 176.35 176.39 1kk4 s GLU 28 N -1.72 3.74 -1.45 1.70 2.12 -1.26 -4.19 118.70 117.64 1kk4 s GLU 28 Ca -0.03 0.22 -0.06 0.00 0.36 0.00 0.00 54.97 55.46 1kk4 s GLU 28 Cb -0.10 -2.60 0.03 0.00 0.26 0.00 0.00 34.13 31.72 1kk4 s GLU 28 CO 0.02 0.21 0.53 0.09 -0.54 0.00 0.00 175.26 175.57 1kk4 n ASN 29 N -0.65 -5.22 -3.69 -1.70 3.02 -1.26 -4.97 115.26 100.79 1kk4 n ASN 29 Ca 0.00 -0.30 -0.15 0.00 -0.03 0.00 0.00 54.58 54.10 1kk4 n ASN 29 Cb 0.53 -4.25 -0.15 0.00 -0.61 0.00 0.00 39.78 35.30 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 -3.07 -0.20 -0.06 2.41 1.01 -1.26 -2.14 120.40 117.09 1kk4 s VAL 30 Ca 0.32 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.63 1kk4 s VAL 30 Cb -0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1kk4 s VAL 30 CO 0.39 0.12 -0.20 -1.61 0.00 0.00 0.00 175.10 173.80 1kk4 s GLU 31 N 1.92 2.59 -0.01 2.72 2.02 -0.78 -4.74 118.70 122.42 1kk4 s GLU 31 Ca -0.01 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.17 1kk4 s GLU 31 Cb -0.12 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.84 1kk4 s GLU 31 CO -0.06 0.46 -0.02 0.08 0.02 0.00 0.00 175.26 175.74 1kk4 s VAL 32 N -0.33 0.21 0.96 2.63 1.01 -1.26 -1.37 120.40 122.23 1kk4 s VAL 32 Ca 0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1kk4 s VAL 32 Cb -0.13 -0.23 0.17 0.00 0.00 0.00 0.00 36.38 36.19 1kk4 s VAL 32 CO 0.02 0.10 1.10 -0.83 0.00 0.00 0.00 175.10 175.49 1kk4 s GLY 33 N 0.43 1.64 0.04 4.51 0.00 0.39 -4.77 107.32 109.55 1kk4 s GLY 33 Ca -0.04 0.23 -0.30 0.00 0.00 0.00 0.00 44.72 44.60 1kk4 s GLY 33 CO -0.01 0.73 1.36 0.83 0.00 0.00 0.00 173.10 176.01 1kk4 h GLU 34 N -1.90 -1.06 -0.44 2.90 4.39 -1.91 -3.35 114.58 113.22 1kk4 h GLU 34 Ca -0.49 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1kk4 h GLU 34 Cb 1.28 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 1kk4 h GLU 34 CO 0.48 -0.70 0.00 0.66 -1.16 0.00 0.00 179.01 178.28 1kk4 n TYR 35 N -5.18 0.59 -2.24 4.33 4.02 -1.26 -4.65 117.16 112.77 1kk4 n TYR 35 Ca -0.14 -0.29 -0.42 0.00 -0.01 0.00 0.00 57.90 57.05 1kk4 n TYR 35 Cb 0.43 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.70 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 -0.97 6.90 0.49 7.72 0.01 -1.25 -4.30 113.70 122.30 1kk4 s SER 36 Ca 0.28 2.29 0.02 0.00 1.31 0.00 0.00 55.95 59.85 1kk4 s SER 36 Cb 0.15 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 1kk4 s SER 36 CO 0.18 -0.57 0.04 -0.72 0.41 0.00 0.00 173.24 172.58 1kk4 s TYR 37 N 0.72 1.83 -0.06 2.43 -0.85 -0.70 -1.57 117.35 119.16 1kk4 s TYR 37 Ca 0.60 -1.06 -0.02 0.00 -0.52 0.00 0.00 57.07 56.08 1kk4 s TYR 37 Cb -0.35 -1.49 0.04 0.00 0.38 0.00 0.00 41.96 40.54 1kk4 s TYR 37 CO 0.33 0.08 0.11 -0.47 -1.52 0.00 0.00 175.55 174.08 1kk4 s TYR 38 N -2.97 -0.08 -0.50 -3.49 5.04 -0.50 -2.35 117.35 112.50 1kk4 s TYR 38 Ca 0.10 0.40 -0.26 0.00 -2.44 0.00 0.00 57.07 54.87 1kk4 s TYR 38 Cb 0.02 -0.26 0.03 0.00 0.35 0.00 0.00 41.96 42.10 1kk4 s TYR 38 CO 0.06 -0.19 0.97 0.34 -1.34 0.00 0.00 175.55 175.39 1kk4 s ASP 39 N 1.72 6.45 0.37 4.32 -1.08 -0.93 -2.47 116.67 125.04 1kk4 s ASP 39 Ca -0.02 -0.02 -0.28 0.00 -0.52 0.00 0.00 52.55 51.71 1kk4 s ASP 39 Cb -0.12 -2.46 -0.11 0.00 -1.46 0.00 0.00 42.92 38.77 1kk4 s ASP 39 CO -0.05 -1.17 1.51 -0.55 0.52 0.00 0.00 175.17 175.44 1kk4 s SER 40 N 2.54 6.32 -0.11 -0.34 0.15 -0.47 -2.99 113.70 118.79 1kk4 s SER 40 Ca 0.36 3.07 -0.05 0.00 0.70 0.00 0.00 55.95 60.03 1kk4 s SER 40 Cb -0.10 -2.67 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 1kk4 s SER 40 CO 0.24 -0.90 0.12 0.50 1.20 0.00 0.00 173.24 174.40 1kk4 h LYS 41 N 3.17 0.00 0.00 5.44 3.64 -1.90 -3.41 116.57 123.52 1kk4 h LYS 41 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1kk4 h LYS 41 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1kk4 h LYS 41 CO 0.66 0.16 -0.12 0.09 -2.27 0.00 0.00 179.45 177.97 1kk4 n ASN 42 N -4.75 1.61 0.00 4.20 3.02 -1.26 -4.95 115.26 113.13 1kk4 n ASN 42 Ca -0.02 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 51.98 1kk4 n ASN 42 Cb 0.08 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 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 -0.88 0.20 3.73 7.41 0.00 -1.26 -5.08 105.19 109.32 1kk4 n GLY 43 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.93 2.09 0.12 1.61 1.03 -1.26 -5.00 118.70 116.36 1kk4 s GLU 44 Ca 0.00 1.53 -0.04 0.00 0.03 0.00 0.00 54.97 56.49 1kk4 s GLU 44 Cb 0.00 -1.85 -0.05 0.00 -0.80 0.00 0.00 34.13 31.43 1kk4 s GLU 44 CO 0.00 -1.82 0.35 0.95 -1.33 0.00 0.00 175.26 173.41 1kk4 s THR 45 N -2.36 5.20 0.61 1.83 -4.23 -1.26 -4.68 115.64 110.75 1kk4 s THR 45 Ca 0.69 -0.00 0.27 0.00 -1.18 0.00 0.00 61.69 61.47 1kk4 s THR 45 Cb -0.24 -3.62 0.36 0.00 1.34 0.00 0.00 72.50 70.34 1kk4 s THR 45 CO 0.49 0.07 1.72 0.15 -0.54 0.00 0.00 174.62 176.51 1kk4 h PHE 46 N 2.93 0.00 0.00 3.99 3.57 -1.96 -0.97 116.94 124.50 1kk4 h PHE 46 Ca -0.46 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1kk4 h PHE 46 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1kk4 h PHE 46 CO 0.62 0.00 0.00 0.38 -2.23 0.00 0.00 178.31 177.08 1kk4 h ASP 47 N 0.00 0.00 1.00 0.41 2.03 -1.95 0.05 116.42 117.96 1kk4 h ASP 47 Ca 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 1kk4 h ASP 47 Cb 1.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.07 1kk4 h ASP 47 CO -0.00 0.00 -0.03 0.29 -1.03 0.00 0.00 179.24 178.46 1kk4 n LYS 48 N -3.00 0.02 0.02 4.15 4.76 -0.37 -3.25 118.16 120.49 1kk4 n LYS 48 Ca -0.01 0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 1kk4 n LYS 48 Cb 0.17 -1.52 0.17 0.00 -1.84 0.00 0.00 35.03 32.01 1kk4 n LYS 48 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1kk4 n GLN 49 N -1.55 0.12 -3.67 1.97 1.13 0.00 -4.79 117.38 110.60 1kk4 n GLN 49 Ca 0.07 0.02 -0.37 0.00 -1.94 0.00 0.00 57.00 54.78 1kk4 n GLN 49 Cb 0.35 -1.56 -0.10 0.00 0.11 0.00 0.00 30.24 29.03 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 -3.08 5.26 0.34 5.09 1.01 -1.20 -1.27 121.20 127.36 1kk4 s ILE 50 Ca 0.08 0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.97 1kk4 s ILE 50 Cb 0.16 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 1kk4 s ILE 50 CO 0.73 0.33 0.02 -0.76 0.00 0.00 0.00 174.94 175.26 1kk4 s LEU 51 N 1.21 2.99 -1.62 2.97 1.43 -0.15 -4.79 118.68 120.72 1kk4 s LEU 51 Ca 0.07 -1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 52.01 1kk4 s LEU 51 Cb -0.14 -1.35 0.16 0.00 0.03 0.00 0.00 46.19 44.89 1kk4 s LEU 51 CO 0.06 -0.26 0.41 -1.22 0.23 0.00 0.00 176.35 175.57 1kk4 n TYR 52 N -0.97 -1.06 -3.30 0.29 4.02 -1.26 -2.13 117.16 112.75 1kk4 n TYR 52 Ca -0.04 0.60 -0.47 0.00 -0.01 0.00 0.00 57.90 57.98 1kk4 n TYR 52 Cb 0.62 -1.87 -0.02 0.00 -0.02 0.00 0.00 39.34 38.06 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 -3.31 3.74 -0.23 -0.72 2.46 -1.26 -0.01 115.29 115.95 1kk4 s HIS 53 Ca 0.57 -1.98 -0.13 0.00 0.47 0.00 0.00 55.06 53.99 1kk4 s HIS 53 Cb -0.33 -3.85 -0.05 0.00 -0.13 0.00 0.00 32.58 28.22 1kk4 s HIS 53 CO 0.92 -1.02 0.26 0.71 -2.47 0.00 0.00 174.74 173.13 1kk4 s TYR 54 N 0.28 3.32 0.18 3.88 4.12 -1.26 -4.98 117.35 122.90 1kk4 s TYR 54 Ca 0.19 0.37 -0.18 0.00 0.02 0.00 0.00 57.07 57.47 1kk4 s TYR 54 Cb -0.10 -2.39 0.14 0.00 -1.52 0.00 0.00 41.96 38.10 1kk4 s TYR 54 CO -0.09 0.01 1.62 -1.35 0.02 0.00 0.00 175.55 175.76 1kk4 h PRO 55 N 7.56 -0.10 0.00 -1.71 0.11 -1.94 -1.75 132.00 134.17 1kk4 h PRO 55 Ca -0.37 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1kk4 h PRO 55 Cb 1.17 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1kk4 h PRO 55 CO 0.67 -0.07 0.00 1.51 -0.21 0.00 0.00 178.00 179.90 1kk4 n ILE 56 N -5.41 0.00 0.27 4.15 3.06 -1.26 0.19 119.36 120.36 1kk4 n ILE 56 Ca 0.04 0.00 0.05 0.00 -2.50 0.00 0.00 62.75 60.34 1kk4 n ILE 56 Cb 0.32 -0.99 -0.07 0.00 0.54 0.00 0.00 39.64 39.44 1kk4 n ILE 56 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1kk4 n LEU 57 N -0.79 0.27 -2.10 9.51 4.77 -0.66 -5.02 117.00 122.99 1kk4 n LEU 57 Ca 0.00 -0.28 -0.17 0.00 -0.03 0.00 0.00 56.01 55.52 1kk4 n LEU 57 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1kk4 n LEU 57 CO 0.00 0.07 -0.20 -3.20 -1.33 0.00 0.00 177.39 172.73 1kk4 n ASN 58 N -1.50 -4.89 -4.81 -1.43 5.15 0.51 -4.98 115.26 103.31 1kk4 n ASN 58 Ca 0.00 0.20 -0.36 0.00 -0.60 0.00 0.00 54.58 53.81 1kk4 n ASN 58 Cb 0.20 -4.20 -0.06 0.00 -0.53 0.00 0.00 39.78 35.19 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 -2.19 7.12 -0.05 1.20 -4.77 -1.26 -5.01 116.67 111.71 1kk4 s ASP 59 Ca 0.00 1.48 0.03 0.00 -3.30 0.00 0.00 52.55 50.76 1kk4 s ASP 59 Cb 0.00 -2.44 -0.03 0.00 -1.09 0.00 0.00 42.92 39.36 1kk4 s ASP 59 CO 0.00 0.04 -0.11 -0.54 0.70 0.00 0.00 175.17 175.25 1kk4 s LYS 60 N -1.91 2.57 -0.25 2.11 1.02 -1.26 -4.91 119.74 117.11 1kk4 s LYS 60 Ca 0.43 -0.66 -0.07 0.00 0.02 0.00 0.00 55.97 55.70 1kk4 s LYS 60 Cb -0.17 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 1kk4 s LYS 60 CO 0.22 0.63 0.05 -1.17 -0.92 0.00 0.00 175.35 174.16 1kk4 s LEU 61 N -0.85 3.37 -0.07 3.17 2.96 -0.91 -1.03 118.68 125.32 1kk4 s LEU 61 Ca 0.12 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1kk4 s LEU 61 Cb -0.11 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 1kk4 s LEU 61 CO 0.02 -0.05 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.24 1kk4 s LYS 62 N 1.58 2.48 -0.05 1.98 1.02 0.39 -1.87 119.74 125.28 1kk4 s LYS 62 Ca 0.06 -0.80 0.04 0.00 0.02 0.00 0.00 55.97 55.29 1kk4 s LYS 62 Cb -0.15 -2.02 -0.00 0.00 -0.52 0.00 0.00 37.83 35.14 1kk4 s LYS 62 CO 0.02 0.26 -0.16 0.42 -0.92 0.00 0.00 175.35 174.97 1kk4 s ILE 63 N 0.10 1.38 0.00 2.17 1.01 -0.47 0.20 121.20 125.59 1kk4 s ILE 63 Ca -0.09 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1kk4 s ILE 63 Cb -0.15 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1kk4 s ILE 63 CO 0.05 0.40 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1kk4 n GLY 64 N 3.23 -1.22 3.54 6.18 0.00 0.21 -0.46 105.19 116.66 1kk4 n GLY 64 Ca -0.19 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 1.90 -1.61 1.61 1.02 -1.26 -1.47 119.74 119.93 1kk4 s LYS 65 Ca 0.00 -1.67 -0.01 0.00 0.02 0.00 0.00 55.97 54.30 1kk4 s LYS 65 Cb 0.00 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 1kk4 s LYS 65 CO 0.00 0.32 0.17 1.19 -0.92 0.00 0.00 175.35 176.11 1kk4 n PHE 66 N -0.74 -1.21 -3.26 3.18 3.01 -1.26 -1.06 117.46 116.12 1kk4 n PHE 66 Ca -0.05 0.15 -0.38 0.00 1.01 0.00 0.00 57.45 58.18 1kk4 n PHE 66 Cb 0.60 -3.95 -0.06 0.00 -0.01 0.00 0.00 39.48 36.07 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 -1.23 4.79 -0.32 0.00 0.01 0.03 -1.72 113.70 115.27 1kk4 s SER 68 Ca 0.31 -0.87 -0.05 0.00 1.31 0.00 0.00 55.95 56.65 1kk4 s SER 68 Cb -0.19 -1.77 0.03 0.00 0.21 0.00 0.00 66.02 64.30 1kk4 s SER 68 CO 0.20 -0.18 0.07 -0.63 0.41 0.00 0.00 173.24 173.10 1kk4 s ILE 69 N 1.39 3.60 0.99 1.44 1.01 -0.99 -1.21 121.20 127.43 1kk4 s ILE 69 Ca 0.00 -1.08 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 1kk4 s ILE 69 Cb -0.17 -2.99 0.19 0.00 0.01 0.00 0.00 42.46 39.49 1kk4 s ILE 69 CO -0.01 -0.08 1.10 -0.83 0.00 0.00 0.00 174.94 175.12 1kk4 s GLY 70 N 1.39 1.63 0.34 6.18 0.00 0.22 -2.19 107.32 114.89 1kk4 s GLY 70 Ca -0.01 0.29 -0.29 0.00 0.00 0.00 0.00 44.72 44.71 1kk4 s GLY 70 CO 0.01 0.81 1.30 2.56 0.00 0.00 0.00 173.10 177.78 1kk4 s PRO 71 N -4.62 4.34 0.00 2.90 0.04 -1.16 -3.07 135.00 133.42 1kk4 s PRO 71 Ca 0.67 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.91 1kk4 s PRO 71 Cb -0.23 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1kk4 s PRO 71 CO 0.60 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.85 1kk4 n GLY 72 N 0.79 1.67 3.67 0.56 0.00 -1.26 -0.30 105.19 110.32 1kk4 n GLY 72 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 0.76 -4.86 1.61 0.31 -1.18 -4.10 118.33 108.87 1kk4 n VAL 73 Ca 0.00 -0.19 -0.26 0.00 -0.01 0.00 0.00 64.34 63.88 1kk4 n VAL 73 Cb 0.00 -1.49 -0.16 0.00 -0.91 0.00 0.00 33.84 31.28 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 0.14 1.47 -0.25 2.52 2.01 0.14 -4.81 115.64 116.86 1kk4 s THR 74 Ca 0.70 -0.74 -0.00 0.00 0.31 0.00 0.00 61.69 61.96 1kk4 s THR 74 Cb -0.65 -1.26 0.04 0.00 0.01 0.00 0.00 72.50 70.63 1kk4 s THR 74 CO 0.47 0.42 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.11 1kk4 s ILE 75 N 0.01 2.62 -0.35 1.82 1.01 -0.39 -0.43 121.20 125.48 1kk4 s ILE 75 Ca -0.03 -1.20 -0.13 0.00 0.00 0.00 0.00 60.65 59.29 1kk4 s ILE 75 Cb -0.11 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 1kk4 s ILE 75 CO 0.02 0.15 0.24 -0.63 0.00 0.00 0.00 174.94 174.72 1kk4 s ILE 76 N 1.26 5.11 0.23 2.92 1.01 -0.07 -0.97 121.20 130.69 1kk4 s ILE 76 Ca -0.02 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1kk4 s ILE 76 Cb -0.17 -3.69 0.05 0.00 0.01 0.00 0.00 42.46 38.66 1kk4 s ILE 76 CO -0.05 -0.09 0.31 0.23 0.00 0.00 0.00 174.94 175.34 1kk4 n MET 77 N 5.09 -0.12 0.00 2.79 2.81 -0.91 -2.30 117.12 124.48 1kk4 n MET 77 Ca -0.12 -0.56 0.11 0.00 -1.81 0.00 0.00 57.70 55.32 1kk4 n MET 77 Cb 0.49 -0.29 0.65 0.00 -0.71 0.00 0.00 33.22 33.35 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 -3.15 0.00 0.07 7.83 3.02 -1.25 -3.82 115.26 117.96 1kk4 n ASN 78 Ca 0.04 -0.60 0.07 0.00 -0.03 0.00 0.00 54.58 54.06 1kk4 n ASN 78 Cb 0.15 -0.04 0.33 0.00 -0.61 0.00 0.00 39.78 39.61 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 0.42 -0.89 0.15 7.41 0.00 0.98 -2.87 105.19 110.40 1kk4 n GLY 79 Ca 0.16 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.63 3.95 -2.10 4.61 0.00 -1.25 -4.94 120.51 119.15 1kk4 n ALA 80 Ca 0.01 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 1kk4 n ALA 80 Cb 0.10 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.80 6.90 0.32 0.00 0.01 -1.14 -5.01 114.94 113.22 1kk4 s ASN 81 Ca 0.14 2.33 -0.04 0.00 -0.71 0.00 0.00 52.86 54.57 1kk4 s ASN 81 Cb 0.17 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.19 1kk4 s ASN 81 CO 0.71 -0.55 0.59 -1.00 -1.51 0.00 0.00 177.10 175.34 1kk4 s HIS 82 N 0.50 3.49 0.48 2.20 3.76 -1.26 -4.86 115.29 119.60 1kk4 s HIS 82 Ca 0.59 0.64 -0.22 0.00 -0.15 0.00 0.00 55.06 55.92 1kk4 s HIS 82 Cb -0.36 -2.11 -0.07 0.00 1.11 0.00 0.00 32.58 31.15 1kk4 s HIS 82 CO 0.35 0.10 1.19 0.50 -0.85 0.00 0.00 174.74 176.03 1kk4 s ARG 83 N -3.80 3.63 0.00 1.40 3.52 -1.26 -4.61 118.95 117.83 1kk4 s ARG 83 Ca 0.44 1.84 0.18 0.00 -0.13 0.00 0.00 55.73 58.06 1kk4 s ARG 83 Cb -0.10 -2.36 0.29 0.00 -1.56 0.00 0.00 34.95 31.22 1kk4 s ARG 83 CO 0.32 -0.68 1.10 0.00 -0.81 0.00 0.00 175.30 175.24 1kk4 n MET 84 N -0.63 0.00 -0.06 5.12 0.00 -1.26 -4.20 117.12 116.08 1kk4 n MET 84 Ca 0.08 -1.65 0.04 0.00 0.00 0.00 0.00 57.70 56.17 1kk4 n MET 84 Cb 0.48 -0.09 0.17 0.00 0.00 0.00 0.00 33.22 33.77 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 0.34 0.75 0.00 3.17 5.75 -1.26 -4.84 116.55 120.45 1kk4 n ASP 85 Ca 0.02 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1kk4 n ASP 85 Cb 1.00 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 41.01 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 0.78 1.70 3.75 6.12 0.00 -1.26 -5.13 105.19 111.15 1kk4 n GLY 86 Ca 0.07 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 2.00 7.18 0.00 1.61 0.15 -1.26 -4.93 113.70 118.45 1kk4 s SER 87 Ca 0.00 2.30 0.24 0.00 0.70 0.00 0.00 55.95 59.19 1kk4 s SER 87 Cb 0.00 -2.62 0.96 0.00 -1.71 0.00 0.00 66.02 62.65 1kk4 s SER 87 CO 0.00 -0.23 1.68 0.35 1.20 0.00 0.00 173.24 176.23 1kk4 n THR 88 N 1.46 0.10 -2.37 6.45 -2.24 -1.26 -4.70 114.28 111.72 1kk4 n THR 88 Ca 0.00 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 1kk4 n THR 88 Cb 0.44 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.90 3.40 -1.30 4.78 5.04 -1.26 -4.76 117.35 121.35 1kk4 s TYR 89 Ca 0.35 1.24 -0.09 0.00 -2.44 0.00 0.00 57.07 56.13 1kk4 s TYR 89 Cb 0.19 -3.47 -0.09 0.00 0.35 0.00 0.00 41.96 38.93 1kk4 s TYR 89 CO 0.29 -1.48 3.01 -0.35 -1.34 0.00 0.00 175.55 175.68 1kk4 n PRO 90 N 3.93 3.49 -0.34 4.97 -0.04 -1.26 -4.79 135.00 140.96 1kk4 n PRO 90 Ca 0.09 -2.14 0.06 0.00 -0.04 0.00 0.00 63.50 61.47 1kk4 n PRO 90 Cb 0.46 -2.63 0.14 0.00 -0.04 0.00 0.00 33.50 31.42 1kk4 n PRO 90 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1kk4 n PHE 91 N 3.14 0.35 -0.14 0.54 3.01 -1.26 -0.51 117.46 122.59 1kk4 n PHE 91 Ca 0.71 1.15 0.10 0.00 1.01 0.00 0.00 57.45 60.41 1kk4 n PHE 91 Cb 0.35 -1.05 0.43 0.00 -0.01 0.00 0.00 39.48 39.20 1kk4 n PHE 91 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1kk4 h ASN 92 N 0.00 0.51 0.00 4.37 7.08 -1.80 -2.70 115.58 123.05 1kk4 h ASN 92 Ca 0.46 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.69 1kk4 h ASN 92 Cb 0.71 -0.10 0.00 0.00 -2.08 0.00 0.00 38.32 36.85 1kk4 h ASN 92 CO -0.97 0.32 0.13 0.25 -2.08 0.00 0.00 177.43 175.07 1kk4 h LEU 93 N 0.57 0.00 -2.17 6.14 5.85 -1.11 -2.65 115.31 121.95 1kk4 h LEU 93 Ca 0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1kk4 h LEU 93 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1kk4 h LEU 93 CO -0.10 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.49 1kk4 n PHE 94 N -2.37 0.32 -2.04 1.25 3.01 -1.02 -5.07 117.46 111.53 1kk4 n PHE 94 Ca -0.02 -0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.26 1kk4 n PHE 94 Cb 0.16 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 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 1.27 0.80 2.43 1.37 0.00 -1.00 -4.85 105.19 105.22 1kk4 n GLY 95 Ca 0.16 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.59 -4.28 0.00 1.61 3.02 -1.26 -2.66 115.26 108.09 1kk4 n ASN 96 Ca 0.00 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1kk4 n ASN 96 Cb 0.00 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 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 -1.16 2.64 0.08 7.41 0.00 -1.26 -4.92 105.19 107.98 1kk4 n GLY 97 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1kk4 n GLY 97 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kk4 n TRP 98 N -0.53 0.55 0.31 1.61 7.02 -1.09 -3.49 117.44 121.82 1kk4 n TRP 98 Ca 0.00 0.20 0.14 0.00 -1.02 0.00 0.00 57.50 56.83 1kk4 n TRP 98 Cb 0.00 -0.83 0.65 0.00 -2.42 0.00 0.00 31.31 28.71 1kk4 n TRP 98 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1kk4 h GLU 99 N 0.00 0.00 0.00 -0.99 3.07 -1.78 -2.71 114.58 112.17 1kk4 h GLU 99 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1kk4 h GLU 99 Cb 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1kk4 h GLU 99 CO 0.00 0.00 0.00 0.36 -1.40 0.00 0.00 179.01 177.97 1kk4 n LYS 100 N -2.55 0.12 -1.35 2.33 2.85 -1.23 -2.36 118.16 115.97 1kk4 n LYS 100 Ca 0.00 0.20 -0.28 0.00 -1.05 0.00 0.00 58.31 57.19 1kk4 n LYS 100 Cb 0.19 -1.50 0.11 0.00 -0.65 0.00 0.00 35.03 33.17 1kk4 n LYS 100 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1kk4 n HIS 101 N -1.35 2.90 -2.03 5.58 8.25 -1.02 -4.98 115.22 122.56 1kk4 n HIS 101 Ca 0.05 -2.51 -0.40 0.00 -0.26 0.00 0.00 57.72 54.60 1kk4 n HIS 101 Cb 0.12 -1.08 -0.01 0.00 1.12 0.00 0.00 29.99 30.13 1kk4 n HIS 101 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1kk4 s MET 102 N -3.62 4.20 0.52 -0.41 1.75 -0.99 -4.54 119.30 116.21 1kk4 s MET 102 Ca 0.59 2.28 -0.07 0.00 -1.25 0.00 0.00 55.69 57.23 1kk4 s MET 102 Cb 0.48 -2.96 -0.04 0.00 2.84 0.00 0.00 34.83 35.14 1kk4 s MET 102 CO 0.02 -0.34 0.86 -1.25 -0.65 0.00 0.00 175.02 173.67 1kk4 s PRO 103 N -1.98 3.57 0.62 4.11 0.04 -1.26 -5.07 135.00 135.03 1kk4 s PRO 103 Ca 0.52 0.39 -0.10 0.00 0.04 0.00 0.00 61.00 61.85 1kk4 s PRO 103 Cb -0.41 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.83 1kk4 s PRO 103 CO 0.54 -0.32 1.01 0.15 0.04 0.00 0.00 177.00 178.42 1kk4 s LYS 104 N -4.86 3.39 0.23 4.56 1.02 -1.26 -4.95 119.74 117.88 1kk4 s LYS 104 Ca 0.50 0.57 -0.07 0.00 0.02 0.00 0.00 55.97 56.99 1kk4 s LYS 104 Cb -0.11 -2.12 0.22 0.00 -0.52 0.00 0.00 37.83 35.31 1kk4 s LYS 104 CO 0.47 -0.63 1.89 -0.07 -0.92 0.00 0.00 175.35 176.09 1kk4 h LEU 105 N -0.31 1.09 0.00 3.17 3.38 -1.97 -0.78 115.31 119.88 1kk4 h LEU 105 Ca -0.45 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1kk4 h LEU 105 Cb 1.21 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1kk4 h LEU 105 CO 0.62 0.83 0.00 -0.90 0.09 0.00 0.00 178.44 179.08 1kk4 n ASP 106 N -4.40 0.00 -0.00 -0.43 5.68 -1.26 -2.66 116.55 113.48 1kk4 n ASP 106 Ca 0.10 -1.69 0.10 0.00 -0.50 0.00 0.00 54.79 52.81 1kk4 n ASP 106 Cb 0.05 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.91 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 -0.61 0.20 -3.38 0.11 6.02 -0.30 -4.88 117.38 114.53 1kk4 n GLN 107 Ca 0.05 -0.05 -0.37 0.00 -0.01 0.00 0.00 57.00 56.61 1kk4 n GLN 107 Cb 0.02 -1.51 -0.06 0.00 1.02 0.00 0.00 30.24 29.71 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 -3.47 4.26 -0.68 1.08 1.43 -1.09 -4.51 118.68 115.72 1kk4 s LEU 108 Ca 0.03 0.72 -0.26 0.00 -1.03 0.00 0.00 54.13 53.59 1kk4 s LEU 108 Cb 0.15 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 1kk4 s LEU 108 CO 0.87 0.03 1.94 -2.16 0.23 0.00 0.00 176.35 177.26 1kk4 s PRO 109 N 0.58 2.54 -0.29 1.29 0.04 -1.26 -4.94 135.00 132.96 1kk4 s PRO 109 Ca 0.23 0.44 -0.17 0.00 0.04 0.00 0.00 61.00 61.54 1kk4 s PRO 109 Cb -0.14 -4.58 -0.02 0.00 0.04 0.00 0.00 34.50 29.80 1kk4 s PRO 109 CO 0.08 -2.97 0.47 0.42 0.04 0.00 0.00 177.00 175.04 1kk4 s ILE 110 N 9.70 5.09 -0.49 0.56 -1.09 -1.26 -4.89 121.20 128.81 1kk4 s ILE 110 Ca 0.71 0.62 0.24 0.00 -2.23 0.00 0.00 60.65 59.99 1kk4 s ILE 110 Cb -0.11 -3.82 0.29 0.00 -1.58 0.00 0.00 42.46 37.23 1kk4 s ILE 110 CO 0.16 0.02 1.59 0.11 -1.23 0.00 0.00 174.94 175.58 1kk4 h LYS 111 N 8.19 0.00 0.00 2.79 1.57 -1.92 -3.50 116.57 123.70 1kk4 h LYS 111 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1kk4 h LYS 111 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1kk4 h LYS 111 CO 0.71 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.00 1kk4 n GLY 112 N 1.16 0.23 3.88 3.86 0.00 -1.26 -4.57 105.19 108.49 1kk4 n GLY 112 Ca 0.04 -2.31 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 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 6.51 -0.29 1.61 1.01 -1.26 -3.60 116.67 116.65 1kk4 s ASP 113 Ca 0.00 1.07 -0.08 0.00 0.71 0.00 0.00 52.55 54.25 1kk4 s ASP 113 Cb 0.00 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.62 1kk4 s ASP 113 CO 0.00 -0.37 0.11 -0.89 0.21 0.00 0.00 175.17 174.23 1kk4 s THR 114 N -2.34 4.40 -0.11 -1.27 2.01 -0.20 -3.85 115.64 114.29 1kk4 s THR 114 Ca 0.50 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.16 1kk4 s THR 114 Cb -0.10 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1kk4 s THR 114 CO 0.31 0.16 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.55 1kk4 s ILE 115 N 1.60 1.99 -0.22 1.82 1.01 -1.01 -0.46 121.20 125.93 1kk4 s ILE 115 Ca 0.05 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1kk4 s ILE 115 Cb -0.16 -1.73 0.04 0.00 0.01 0.00 0.00 42.46 40.62 1kk4 s ILE 115 CO 0.05 0.54 -0.14 -0.63 0.00 0.00 0.00 174.94 174.76 1kk4 s ILE 116 N 0.50 2.02 0.00 2.92 1.01 0.13 -0.94 121.20 126.84 1kk4 s ILE 116 Ca -0.15 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.22 1kk4 s ILE 116 Cb -0.17 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1kk4 s ILE 116 CO 0.06 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1kk4 n GLY 117 N 4.55 -2.63 3.94 6.18 0.00 0.17 0.64 105.19 118.04 1kk4 n GLY 117 Ca -0.16 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.80 6.34 -1.30 1.61 0.01 -1.26 -2.50 114.94 116.04 1kk4 s ASN 118 Ca 0.00 0.19 -0.08 0.00 -0.71 0.00 0.00 52.86 52.26 1kk4 s ASN 118 Cb 0.00 -1.92 0.01 0.00 0.41 0.00 0.00 41.25 39.75 1kk4 s ASN 118 CO 0.00 0.06 1.14 -0.67 -1.51 0.00 0.00 177.10 176.11 1kk4 n ASP 119 N -0.48 -6.02 -4.78 -1.22 2.03 -0.23 -1.07 116.55 104.78 1kk4 n ASP 119 Ca -0.07 -0.52 -0.36 0.00 0.52 0.00 0.00 54.79 54.36 1kk4 n ASP 119 Cb 0.54 -4.88 -0.08 0.00 -0.72 0.00 0.00 41.12 35.98 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 -3.31 5.04 -0.27 5.18 1.01 -1.26 -2.54 120.40 124.25 1kk4 s VAL 120 Ca 0.54 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.58 1kk4 s VAL 120 Cb -0.24 -3.20 0.07 0.00 0.00 0.00 0.00 36.38 33.02 1kk4 s VAL 120 CO 0.70 0.58 -0.07 0.86 0.00 0.00 0.00 175.10 177.18 1kk4 s TRP 121 N -0.69 3.22 -0.21 5.22 -0.00 -0.73 -0.79 118.94 124.95 1kk4 s TRP 121 Ca 0.12 -2.37 -0.11 0.00 -0.00 0.00 0.00 56.10 53.74 1kk4 s TRP 121 Cb -0.12 -2.07 -0.05 0.00 -0.00 0.00 0.00 33.47 31.23 1kk4 s TRP 121 CO 0.03 -0.88 0.16 0.42 -0.00 0.00 0.00 176.95 176.67 1kk4 s ILE 122 N 1.11 5.38 0.95 5.86 1.01 -0.35 -1.34 121.20 133.82 1kk4 s ILE 122 Ca -0.04 0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.72 1kk4 s ILE 122 Cb -0.20 -3.50 0.16 0.00 0.01 0.00 0.00 42.46 38.94 1kk4 s ILE 122 CO -0.06 0.41 1.09 -0.83 0.00 0.00 0.00 174.94 175.54 1kk4 s GLY 123 N 0.58 1.61 0.72 6.18 0.00 0.17 -0.61 107.32 115.96 1kk4 s GLY 123 Ca 0.09 -0.04 -0.15 0.00 0.00 0.00 0.00 44.72 44.62 1kk4 s GLY 123 CO 0.00 0.49 1.20 -1.59 0.00 0.00 0.00 173.10 173.20 1kk4 s LYS 124 N -4.84 2.25 -1.44 2.90 -2.85 -1.26 -3.32 119.74 111.18 1kk4 s LYS 124 Ca 0.65 1.72 0.00 0.00 -1.00 0.00 0.00 55.97 57.34 1kk4 s LYS 124 Cb -0.20 -1.85 0.00 0.00 -2.06 0.00 0.00 37.83 33.72 1kk4 s LYS 124 CO 0.58 -1.74 0.00 -0.25 0.10 0.00 0.00 175.35 174.04 1kk4 n ASP 125 N -2.63 -4.78 -4.77 0.03 8.00 0.59 -0.88 116.55 112.10 1kk4 n ASP 125 Ca 0.13 0.14 -0.38 0.00 0.71 0.00 0.00 54.79 55.38 1kk4 n ASP 125 Cb 0.50 -4.06 -0.06 0.00 -0.02 0.00 0.00 41.12 37.48 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 -2.76 4.19 -0.16 2.53 1.01 -1.21 -4.03 120.40 119.97 1kk4 s VAL 126 Ca 0.00 1.89 -0.01 0.00 0.00 0.00 0.00 61.98 63.86 1kk4 s VAL 126 Cb 0.00 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1kk4 s VAL 126 CO 0.00 0.33 -0.12 -0.69 0.00 0.00 0.00 175.10 174.61 1kk4 s VAL 127 N -1.39 2.95 -0.18 2.92 1.01 0.23 0.27 120.40 126.21 1kk4 s VAL 127 Ca 0.45 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1kk4 s VAL 127 Cb -0.22 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1kk4 s VAL 127 CO 0.27 0.50 -0.14 -0.63 0.00 0.00 0.00 175.10 175.11 1kk4 s ILE 128 N 0.75 2.66 0.71 2.22 1.01 0.43 -0.57 121.20 128.40 1kk4 s ILE 128 Ca -0.05 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 1kk4 s ILE 128 Cb -0.15 -2.15 0.03 0.00 0.01 0.00 0.00 42.46 40.20 1kk4 s ILE 128 CO 0.01 0.50 1.08 -0.04 0.00 0.00 0.00 174.94 176.49 1kk4 s MET 129 N 1.20 2.62 0.50 2.79 -1.94 -0.27 -0.89 119.30 123.31 1kk4 s MET 129 Ca 0.02 0.26 -0.24 0.00 -1.71 0.00 0.00 55.69 54.03 1kk4 s MET 129 Cb -0.14 -2.05 -0.07 0.00 2.01 0.00 0.00 34.83 34.58 1kk4 s MET 129 CO -0.06 -1.13 1.41 -2.30 -0.01 0.00 0.00 175.02 172.93 1kk4 n PRO 130 N -3.01 2.01 -1.85 2.03 -0.02 -0.97 -3.35 135.00 129.84 1kk4 n PRO 130 Ca 0.07 0.72 -0.20 0.00 -2.02 0.00 0.00 63.50 62.07 1kk4 n PRO 130 Cb 0.58 -2.62 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 1kk4 n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kk4 n GLY 131 N 0.65 1.14 3.84 -1.23 0.00 -1.24 -4.86 105.19 103.49 1kk4 n GLY 131 Ca 0.08 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.83 4.77 -0.09 1.61 1.01 -1.21 -4.78 120.40 118.88 1kk4 s VAL 132 Ca 0.00 0.94 0.03 0.00 0.00 0.00 0.00 61.98 62.95 1kk4 s VAL 132 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1kk4 s VAL 132 CO 0.00 0.19 -0.20 -0.75 0.00 0.00 0.00 175.10 174.33 1kk4 s LYS 133 N -2.08 2.65 -0.25 2.72 2.20 -1.26 -2.40 119.74 121.31 1kk4 s LYS 133 Ca 0.41 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 55.31 1kk4 s LYS 133 Cb -0.15 -2.04 0.06 0.00 -1.51 0.00 0.00 37.83 34.19 1kk4 s LYS 133 CO 0.20 0.13 -0.12 0.42 -0.36 0.00 0.00 175.35 175.62 1kk4 s ILE 134 N 0.44 2.17 1.11 5.43 1.01 -0.12 -1.21 121.20 130.04 1kk4 s ILE 134 Ca -0.18 -1.58 -0.12 0.00 0.00 0.00 0.00 60.65 58.77 1kk4 s ILE 134 Cb -0.17 -2.25 0.25 0.00 0.01 0.00 0.00 42.46 40.29 1kk4 s ILE 134 CO 0.07 0.01 0.98 0.61 0.00 0.00 0.00 174.94 176.62 1kk4 n GLY 135 N 4.45 -1.67 3.76 6.18 0.00 -0.23 0.44 105.19 118.11 1kk4 n GLY 135 Ca -0.15 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 1kk4 n GLY 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kk4 s ASP 136 N -2.42 5.41 -1.63 1.61 1.01 -1.26 -3.45 116.67 115.93 1kk4 s ASP 136 Ca 0.67 2.42 0.00 0.00 0.71 0.00 0.00 52.55 56.35 1kk4 s ASP 136 Cb -0.24 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.08 1kk4 s ASP 136 CO 0.64 -1.45 0.00 0.61 0.21 0.00 0.00 175.17 175.18 1kk4 n GLY 137 N 0.51 1.41 3.87 0.21 0.00 -0.24 0.11 105.19 111.06 1kk4 n GLY 137 Ca 0.12 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.60 3.49 -0.17 4.61 0.00 -1.22 -3.65 121.76 122.21 1kk4 s ALA 138 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1kk4 s ALA 138 Cb 0.00 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.59 1kk4 s ALA 138 CO 0.00 0.45 -0.19 0.42 0.00 0.00 0.00 175.76 176.44 1kk4 s ILE 139 N -1.87 2.22 -0.28 0.00 1.01 -0.84 -1.78 121.20 119.66 1kk4 s ILE 139 Ca 0.50 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 1kk4 s ILE 139 Cb -0.11 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1kk4 s ILE 139 CO 0.20 0.53 0.12 -0.69 0.00 0.00 0.00 174.94 175.10 1kk4 s VAL 140 N 1.13 4.51 0.47 2.92 1.01 -0.45 -1.37 120.40 128.62 1kk4 s VAL 140 Ca 0.01 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.47 1kk4 s VAL 140 Cb -0.14 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.96 1kk4 s VAL 140 CO -0.08 0.20 1.32 0.00 0.00 0.00 0.00 175.10 176.54 1kk4 s ALA 141 N 1.62 3.05 0.44 5.51 0.00 -0.77 0.46 121.76 132.08 1kk4 s ALA 141 Ca 0.05 1.26 -0.22 0.00 0.00 0.00 0.00 51.96 53.06 1kk4 s ALA 141 Cb -0.16 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 1kk4 s ALA 141 CO 0.05 -1.06 0.55 0.00 0.00 0.00 0.00 175.76 175.31 1kk4 n ALA 142 N -0.44 -1.39 -3.63 0.00 0.00 -1.26 -2.64 120.51 111.14 1kk4 n ALA 142 Ca 0.07 0.14 -0.26 0.00 0.00 0.00 0.00 53.44 53.38 1kk4 n ALA 142 Cb 0.44 -1.79 0.05 0.00 0.00 0.00 0.00 19.45 18.16 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 1.16 -5.70 -4.94 0.00 4.13 -0.06 -4.81 115.26 105.04 1kk4 n ASN 143 Ca 0.11 -0.59 -0.25 0.00 1.68 0.00 0.00 54.58 55.53 1kk4 n ASN 143 Cb 0.41 -4.53 -0.03 0.00 -1.54 0.00 0.00 39.78 34.10 1kk4 n ASN 143 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1kk4 s SER 144 N -3.21 6.35 -0.39 6.41 0.01 -1.08 -4.70 113.70 117.10 1kk4 s SER 144 Ca 0.58 0.27 0.02 0.00 1.31 0.00 0.00 55.95 58.13 1kk4 s SER 144 Cb -0.27 -1.95 0.11 0.00 0.21 0.00 0.00 66.02 64.12 1kk4 s SER 144 CO 0.71 -0.05 0.15 -0.69 0.41 0.00 0.00 173.24 173.76 1kk4 s VAL 145 N -1.91 1.73 -0.33 3.43 1.01 -0.73 -0.60 120.40 123.00 1kk4 s VAL 145 Ca 0.37 -2.32 -0.29 0.00 0.00 0.00 0.00 61.98 59.74 1kk4 s VAL 145 Cb -0.10 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1kk4 s VAL 145 CO 0.30 -0.73 1.16 -0.69 0.00 0.00 0.00 175.10 175.14 1kk4 s VAL 146 N 0.74 4.34 -0.20 2.92 1.01 0.27 -2.09 120.40 127.39 1kk4 s VAL 146 Ca 0.13 1.52 0.02 0.00 0.00 0.00 0.00 61.98 63.65 1kk4 s VAL 146 Cb -0.21 -4.34 0.03 0.00 0.00 0.00 0.00 36.38 31.85 1kk4 s VAL 146 CO -0.09 -0.54 0.76 1.33 0.00 0.00 0.00 175.10 176.56 1kk4 n VAL 147 N 6.10 0.41 -3.51 2.92 0.24 -1.26 -1.11 118.33 122.12 1kk4 n VAL 147 Ca 0.13 -0.71 -0.14 0.00 -2.04 0.00 0.00 64.34 61.58 1kk4 n VAL 147 Cb 0.47 0.82 -0.04 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.51 1.00 0.29 7.34 -2.85 -1.26 -4.96 119.74 118.80 1kk4 s LYS 148 Ca 0.03 0.01 -0.25 0.00 -1.00 0.00 0.00 55.97 54.76 1kk4 s LYS 148 Cb 0.02 0.47 -0.16 0.00 -2.06 0.00 0.00 37.83 36.09 1kk4 s LYS 148 CO 0.02 -0.36 0.35 -0.25 0.10 0.00 0.00 175.35 175.22 1kk4 n ASP 149 N 0.45 -1.85 -4.07 0.03 9.92 -1.26 -4.77 116.55 114.99 1kk4 n ASP 149 Ca -0.16 0.99 -0.27 0.00 -0.53 0.00 0.00 54.79 54.82 1kk4 n ASP 149 Cb 0.60 -0.93 -0.17 0.00 -0.64 0.00 0.00 41.12 39.97 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 -1.29 1.44 0.91 0.53 1.01 -0.35 -4.97 121.20 118.48 1kk4 s ILE 150 Ca 0.62 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 60.52 1kk4 s ILE 150 Cb -0.80 -1.30 0.14 0.00 0.01 0.00 0.00 42.46 40.51 1kk4 s ILE 150 CO 0.59 0.43 1.09 0.00 0.00 0.00 0.00 174.94 177.05 1kk4 s ALA 151 N 0.72 1.40 0.63 9.38 0.00 -1.26 -1.07 121.76 131.56 1kk4 s ALA 151 Ca -0.13 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.77 1kk4 s ALA 151 Cb -0.16 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1kk4 s ALA 151 CO 0.03 -2.51 1.21 -2.14 0.00 0.00 0.00 175.76 172.35 1kk4 s PRO 152 N -4.82 2.76 -1.71 0.00 0.02 -1.26 -3.22 135.00 126.77 1kk4 s PRO 152 Ca 0.64 1.82 -0.16 0.00 0.02 0.00 0.00 61.00 63.32 1kk4 s PRO 152 Cb -0.20 -1.90 0.15 0.00 0.02 0.00 0.00 34.50 32.57 1kk4 s PRO 152 CO 0.58 -1.37 0.58 0.66 -0.33 0.00 0.00 177.00 177.12 1kk4 n TYR 153 N -1.88 -1.48 -4.21 6.54 4.02 0.29 -4.89 117.16 115.55 1kk4 n TYR 153 Ca 0.14 0.73 -0.26 0.00 -0.01 0.00 0.00 57.90 58.49 1kk4 n TYR 153 Cb 0.50 -2.66 -0.08 0.00 -0.02 0.00 0.00 39.34 37.08 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 -7.06 2.39 -0.33 -0.72 -1.94 -1.20 -1.90 119.30 108.55 1kk4 s MET 154 Ca 0.59 -1.12 -0.07 0.00 -1.71 0.00 0.00 55.69 53.38 1kk4 s MET 154 Cb -0.33 -2.35 0.03 0.00 2.01 0.00 0.00 34.83 34.20 1kk4 s MET 154 CO 0.97 0.45 0.10 -1.17 -0.01 0.00 0.00 175.02 175.36 1kk4 s LEU 155 N -2.98 4.24 0.35 -0.03 2.96 0.20 -1.98 118.68 121.43 1kk4 s LEU 155 Ca 0.28 -1.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.22 1kk4 s LEU 155 Cb -0.09 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1kk4 s LEU 155 CO 0.19 -0.30 0.21 0.00 -1.32 0.00 0.00 176.35 175.12 1kk4 s ALA 156 N 1.43 3.65 0.00 5.97 0.00 -0.47 0.14 121.76 132.48 1kk4 s ALA 156 Ca -0.01 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.16 1kk4 s ALA 156 Cb -0.19 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1kk4 s ALA 156 CO 0.03 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1kk4 n GLY 157 N -1.25 0.84 0.00 0.00 0.00 -0.32 -1.85 105.19 102.61 1kk4 n GLY 157 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1kk4 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kk4 n GLY 158 N -0.08 0.96 2.63 -0.02 0.00 -1.26 -0.63 105.19 106.78 1kk4 n GLY 158 Ca 0.00 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.61 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 0.00 3.75 0.37 1.61 2.47 -1.26 -0.82 114.94 121.05 1kk4 s ASN 159 Ca 0.00 -1.48 -0.26 0.00 0.42 0.00 0.00 52.86 51.54 1kk4 s ASN 159 Cb 0.00 -0.59 -0.09 0.00 -1.45 0.00 0.00 41.25 39.12 1kk4 s ASN 159 CO 0.00 -0.42 1.13 -2.16 -3.72 0.00 0.00 177.10 171.92 1kk4 s PRO 160 N 1.84 4.21 0.44 0.43 0.04 -1.26 -5.00 135.00 135.70 1kk4 s PRO 160 Ca 0.10 1.76 -0.25 0.00 0.04 0.00 0.00 61.00 62.65 1kk4 s PRO 160 Cb -0.17 -2.76 -0.08 0.00 0.04 0.00 0.00 34.50 31.53 1kk4 s PRO 160 CO -0.30 -0.16 1.29 0.00 0.04 0.00 0.00 177.00 177.87 1kk4 s ALA 161 N -1.42 3.13 0.12 8.56 0.00 -0.00 -4.93 121.76 127.21 1kk4 s ALA 161 Ca 0.54 1.20 0.05 0.00 0.00 0.00 0.00 51.96 53.75 1kk4 s ALA 161 Cb -0.29 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 1kk4 s ALA 161 CO 0.37 -0.89 -0.12 -0.80 0.00 0.00 0.00 175.76 174.31 1kk4 s ASN 162 N -0.89 1.79 0.10 0.00 0.01 0.19 -4.80 114.94 111.33 1kk4 s ASN 162 Ca 0.61 -0.84 -0.30 0.00 -0.71 0.00 0.00 52.86 51.61 1kk4 s ASN 162 Cb -0.37 -0.03 -0.06 0.00 0.41 0.00 0.00 41.25 41.20 1kk4 s ASN 162 CO 0.46 -0.21 1.19 -1.61 -1.51 0.00 0.00 177.10 175.41 1kk4 s GLU 163 N -2.89 4.46 -0.27 -0.60 2.02 -1.26 -1.18 118.70 118.98 1kk4 s GLU 163 Ca 0.09 1.78 -0.14 0.00 0.02 0.00 0.00 54.97 56.73 1kk4 s GLU 163 Cb -0.03 -3.32 -0.12 0.00 0.10 0.00 0.00 34.13 30.76 1kk4 s GLU 163 CO 0.02 -0.19 -0.36 -0.89 0.02 0.00 0.00 175.26 173.86 1kk4 n ILE 164 N 3.50 1.51 -3.63 -1.63 5.41 0.37 -4.95 119.36 119.94 1kk4 n ILE 164 Ca 0.07 -0.37 -0.10 0.00 1.00 0.00 0.00 62.75 63.36 1kk4 n ILE 164 Cb 0.46 -1.89 -0.03 0.00 -0.71 0.00 0.00 39.64 37.47 1kk4 n ILE 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1kk4 s LYS 165 N -2.52 1.44 0.48 0.38 -2.85 -1.20 -5.00 119.74 110.47 1kk4 s LYS 165 Ca -0.38 -0.73 -0.12 0.00 -1.00 0.00 0.00 55.97 53.74 1kk4 s LYS 165 Cb 0.14 0.57 -0.06 0.00 -2.06 0.00 0.00 37.83 36.42 1kk4 s LYS 165 CO 0.48 -0.63 0.87 -0.65 0.10 0.00 0.00 175.35 175.52 1kk4 s GLN 166 N -3.83 3.78 -0.01 1.78 -0.21 -1.26 -0.63 119.66 119.28 1kk4 s GLN 166 Ca 0.06 0.62 -0.15 0.00 0.02 0.00 0.00 55.36 55.92 1kk4 s GLN 166 Cb -0.02 -2.27 -0.34 0.00 1.00 0.00 0.00 33.01 31.38 1kk4 s GLN 166 CO -0.05 -0.20 0.86 0.00 -2.12 0.00 0.00 175.29 173.78 1kk4 h ARG 167 N 0.82 0.47 -4.80 2.91 3.08 -1.72 -3.46 114.38 111.68 1kk4 h ARG 167 Ca -0.47 -0.80 -0.42 0.00 0.07 0.00 0.00 59.98 58.36 1kk4 h ARG 167 Cb 1.19 0.30 -0.13 0.00 0.08 0.00 0.00 29.97 31.41 1kk4 h ARG 167 CO 0.63 1.38 -0.49 -0.06 -1.07 0.00 0.00 179.97 180.36 1kk4 s PHE 168 N -2.58 1.62 0.77 3.04 0.40 -1.26 -5.15 117.98 114.82 1kk4 s PHE 168 Ca -0.12 -1.60 -0.14 0.00 -0.60 0.00 0.00 56.93 54.48 1kk4 s PHE 168 Cb 0.04 -0.65 0.06 0.00 0.51 0.00 0.00 43.02 42.98 1kk4 s PHE 168 CO 0.90 -0.85 1.19 0.16 0.70 0.00 0.00 175.22 177.32 1kk4 s ASP 169 N -3.33 3.95 0.16 1.36 1.47 -1.26 -4.78 116.67 114.24 1kk4 s ASP 169 Ca 0.40 2.29 -0.18 0.00 1.18 0.00 0.00 52.55 56.24 1kk4 s ASP 169 Cb 0.03 -2.58 0.07 0.00 -0.34 0.00 0.00 42.92 40.10 1kk4 s ASP 169 CO 0.25 -2.42 1.67 1.56 0.68 0.00 0.00 175.17 176.91 1kk4 h GLN 170 N -0.67 -0.01 -0.20 2.11 1.08 -2.01 -2.08 115.11 113.32 1kk4 h GLN 170 Ca -0.46 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 56.77 1kk4 h GLN 170 Cb 1.29 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.65 1kk4 h GLN 170 CO 0.48 -0.01 -0.55 0.22 -0.95 0.00 0.00 178.83 178.02 1kk4 h ASP 171 N -0.01 -1.77 -0.42 1.46 1.82 -1.99 0.11 116.42 115.61 1kk4 h ASP 171 Ca 0.17 0.22 0.08 0.00 -0.39 0.00 0.00 57.03 57.11 1kk4 h ASP 171 Cb 0.28 0.70 -0.09 0.00 0.68 0.00 0.00 39.33 40.90 1kk4 h ASP 171 CO -0.38 -0.47 -0.29 0.74 -1.61 0.00 0.00 179.24 177.24 1kk4 h THR 172 N -0.54 0.27 -0.02 2.25 2.02 -1.83 -1.58 112.91 113.48 1kk4 h THR 172 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 1kk4 h THR 172 Cb 0.66 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 1kk4 h THR 172 CO -0.48 0.00 -0.50 0.40 0.37 0.00 0.00 175.52 175.32 1kk4 h ILE 173 N -0.21 0.05 -0.90 3.11 2.04 -0.63 -1.30 117.51 119.67 1kk4 h ILE 173 Ca 0.19 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.24 1kk4 h ILE 173 Cb 0.51 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 1kk4 h ILE 173 CO -0.54 0.00 0.59 0.78 0.00 0.00 0.00 178.15 178.98 1kk4 h ASN 174 N -0.63 0.48 0.67 1.72 2.35 -0.19 0.90 115.58 120.88 1kk4 h ASN 174 Ca 0.03 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1kk4 h ASN 174 Cb 0.70 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 39.03 1kk4 h ASN 174 CO -0.36 0.20 -0.32 1.56 -1.65 0.00 0.00 177.43 176.86 1kk4 h GLN 175 N 0.49 -0.86 -0.76 0.81 4.20 -0.42 -2.13 115.11 116.44 1kk4 h GLN 175 Ca 0.47 0.06 0.17 0.00 0.06 0.00 0.00 58.65 59.41 1kk4 h GLN 175 Cb 1.05 0.20 -0.12 0.00 0.30 0.00 0.00 27.48 28.91 1kk4 h GLN 175 CO -0.20 -0.56 0.14 -0.07 -0.67 0.00 0.00 178.83 177.47 1kk4 h LEU 176 N -1.21 -0.08 -2.91 1.46 3.38 -0.47 1.27 115.31 116.74 1kk4 h LEU 176 Ca -0.09 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1kk4 h LEU 176 Cb 0.70 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1kk4 h LEU 176 CO 0.15 -0.09 -0.00 -0.07 0.09 0.00 0.00 178.44 178.52 1kk4 h LEU 177 N 0.22 0.00 0.04 1.67 3.38 -0.76 0.03 115.31 119.88 1kk4 h LEU 177 Ca 0.43 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 58.05 1kk4 h LEU 177 Cb 0.76 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1kk4 h LEU 177 CO -0.57 0.00 -2.02 -0.67 0.09 0.00 0.00 178.44 175.28 1kk4 n ASP 178 N -3.16 2.00 -0.10 -0.43 -0.08 0.39 -4.40 116.55 110.77 1kk4 n ASP 178 Ca -0.03 0.21 -0.07 0.00 -1.51 0.00 0.00 54.79 53.39 1kk4 n ASP 178 Cb 0.08 -0.78 0.00 0.00 2.34 0.00 0.00 41.12 42.76 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 -0.40 0.98 -6.26 5.18 2.04 0.20 -3.47 117.51 115.78 1kk4 h ILE 179 Ca -0.49 -0.12 -0.44 0.00 1.00 0.00 0.00 64.86 64.81 1kk4 h ILE 179 Cb 1.75 0.60 0.05 0.00 -0.74 0.00 0.00 36.82 38.48 1kk4 h ILE 179 CO -0.12 0.06 -0.91 0.29 0.00 0.00 0.00 178.15 177.48 1kk4 n LYS 180 N -4.95 -2.32 0.32 2.37 5.02 -0.04 -4.83 118.16 113.73 1kk4 n LYS 180 Ca 0.00 0.48 0.21 0.00 -2.02 0.00 0.00 58.31 56.98 1kk4 n LYS 180 Cb 0.09 -4.42 1.14 0.00 -0.02 0.00 0.00 35.03 31.82 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 -1.86 0.00 0.00 2.13 5.08 -1.91 -1.29 115.95 118.10 1kk4 h TRP 181 Ca -0.65 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.32 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 0.39 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 174.88 1kk4 n TRP 182 N -2.98 0.10 0.96 0.12 2.14 -1.26 -2.25 117.44 114.27 1kk4 n TRP 182 Ca -0.03 0.04 0.11 0.00 2.07 0.00 0.00 57.50 59.69 1kk4 n TRP 182 Cb 0.07 -0.56 0.07 0.00 -0.81 0.00 0.00 31.31 30.07 1kk4 n TRP 182 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1kk4 n ASN 183 N -1.59 0.72 -4.80 -0.67 3.02 -0.49 -4.94 115.26 106.53 1kk4 n ASN 183 Ca 0.03 -0.57 -0.32 0.00 -0.03 0.00 0.00 54.58 53.69 1kk4 n ASN 183 Cb 0.16 0.63 0.04 0.00 -0.61 0.00 0.00 39.78 39.99 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 -3.02 2.89 0.64 3.10 0.51 -0.96 -5.00 118.94 117.10 1kk4 s TRP 184 Ca 0.09 1.51 -0.15 0.00 -2.12 0.00 0.00 56.10 55.43 1kk4 s TRP 184 Cb 0.17 -3.02 -0.01 0.00 -0.81 0.00 0.00 33.47 29.79 1kk4 s TRP 184 CO 0.78 -1.34 1.08 -2.14 -0.51 0.00 0.00 176.95 174.82 1kk4 s PRO 185 N -4.37 3.01 0.52 4.98 0.02 -1.26 -4.78 135.00 133.11 1kk4 s PRO 185 Ca 0.63 1.27 0.35 0.00 0.02 0.00 0.00 61.00 63.27 1kk4 s PRO 185 Cb -0.17 -1.99 1.76 0.00 0.02 0.00 0.00 34.50 34.13 1kk4 s PRO 185 CO 0.44 -1.07 2.05 0.97 -0.33 0.00 0.00 177.00 179.06 1kk4 h ILE 186 N 0.10 0.00 -0.63 2.83 2.10 -1.97 -1.53 117.51 118.40 1kk4 h ILE 186 Ca -0.46 -0.13 0.02 0.00 1.08 0.00 0.00 64.86 65.36 1kk4 h ILE 186 Cb 1.23 0.98 -0.04 0.00 -1.09 0.00 0.00 36.82 37.91 1kk4 h ILE 186 CO 0.56 0.00 0.40 0.44 -1.08 0.00 0.00 178.15 178.47 1kk4 h ASP 187 N 0.00 0.67 0.03 2.19 3.32 -1.98 0.22 116.42 120.87 1kk4 h ASP 187 Ca 0.00 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1kk4 h ASP 187 Cb 0.15 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1kk4 h ASP 187 CO 0.00 0.47 -0.18 0.40 -1.72 0.00 0.00 179.24 178.21 1kk4 h ILE 188 N 0.80 1.71 -0.71 0.35 2.04 -1.66 -3.29 117.51 116.73 1kk4 h ILE 188 Ca 0.25 -2.32 0.15 0.00 1.00 0.00 0.00 64.86 63.93 1kk4 h ILE 188 Cb -0.02 3.27 -0.10 0.00 -0.74 0.00 0.00 36.82 39.24 1kk4 h ILE 188 CO -0.09 0.62 0.21 0.40 0.00 0.00 0.00 178.15 179.29 1kk4 h ILE 189 N -0.82 0.58 0.00 -0.67 2.04 -1.31 0.65 117.51 117.98 1kk4 h ILE 189 Ca -0.03 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1kk4 h ILE 189 Cb 1.12 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1kk4 h ILE 189 CO 0.03 0.06 0.50 0.78 0.00 0.00 0.00 178.15 179.52 1kk4 h ASN 190 N 0.32 0.00 -0.26 1.72 2.35 -0.62 0.15 115.58 119.25 1kk4 h ASN 190 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 1kk4 h ASN 190 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1kk4 h ASN 190 CO -0.46 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 174.70 1kk4 n GLU 191 N -2.61 2.85 0.00 0.81 1.02 0.22 -4.51 120.64 118.41 1kk4 n GLU 191 Ca -0.01 -2.09 0.00 0.00 -0.02 0.00 0.00 57.16 55.04 1kk4 n GLU 191 Cb 0.53 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 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 0.10 0.25 -0.32 1.62 3.02 0.50 -4.87 115.26 115.56 1kk4 n ASN 192 Ca 0.11 -1.12 0.14 0.00 -0.03 0.00 0.00 54.58 53.68 1kk4 n ASN 192 Cb 0.47 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.96 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 2.48 0.55 -0.26 2.41 2.04 -1.67 0.24 117.51 123.31 1kk4 h ILE 193 Ca 0.00 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1kk4 h ILE 193 Cb 0.90 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1kk4 h ILE 193 CO 0.00 0.09 0.12 0.44 0.00 0.00 0.00 178.15 178.80 1kk4 h ASP 194 N 0.52 0.34 0.70 1.72 3.32 -1.89 0.85 116.42 121.97 1kk4 h ASP 194 Ca 0.58 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.47 1kk4 h ASP 194 Cb 1.05 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1kk4 h ASP 194 CO -0.48 0.39 -0.08 0.11 -1.72 0.00 0.00 179.24 177.46 1kk4 h LYS 195 N 0.28 0.00 0.07 3.56 1.57 -1.16 -1.35 116.57 119.54 1kk4 h LYS 195 Ca 0.09 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.69 1kk4 h LYS 195 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1kk4 h LYS 195 CO -0.01 0.08 -0.87 0.82 -0.57 0.00 0.00 179.45 178.90 1kk4 h ILE 196 N 0.00 1.34 -0.06 1.86 2.04 0.02 0.19 117.51 122.90 1kk4 h ILE 196 Ca -0.00 -2.39 0.02 0.00 1.00 0.00 0.00 64.86 63.49 1kk4 h ILE 196 Cb 0.45 2.94 -0.00 0.00 -0.74 0.00 0.00 36.82 39.47 1kk4 h ILE 196 CO 0.01 0.62 0.11 -0.07 0.00 0.00 0.00 178.15 178.82 1kk4 h LEU 197 N -0.61 0.00 -2.99 1.44 3.38 0.13 -2.10 115.31 114.56 1kk4 h LEU 197 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1kk4 h LEU 197 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1kk4 h LEU 197 CO 0.03 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.66 1kk4 n ASP 198 N -3.49 2.32 -0.74 -0.43 5.68 -0.57 -4.99 116.55 114.33 1kk4 n ASP 198 Ca -0.01 -2.19 -0.10 0.00 -0.50 0.00 0.00 54.79 51.99 1kk4 n ASP 198 Cb 0.20 -0.13 -0.04 0.00 -1.14 0.00 0.00 41.12 40.01 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 -0.43 -4.91 -0.36 -1.12 3.02 -0.79 -4.84 115.26 105.83 1kk4 n ASN 199 Ca 0.05 0.24 0.13 0.00 -0.03 0.00 0.00 54.58 54.97 1kk4 n ASN 199 Cb 0.37 -3.25 0.41 0.00 -0.61 0.00 0.00 39.78 36.70 1kk4 n ASN 199 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1kk4 n SER 200 N -0.51 1.28 0.29 6.41 3.41 -0.08 -3.79 113.62 120.62 1kk4 n SER 200 Ca -0.10 -1.16 0.15 0.00 -0.26 0.00 0.00 58.87 57.50 1kk4 n SER 200 Cb 0.44 0.09 0.85 0.00 -0.26 0.00 0.00 64.21 65.34 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 1.76 0.45 0.76 -1.33 2.10 -1.04 -2.60 117.51 117.61 1kk4 h ILE 201 Ca 0.00 -0.29 -0.04 0.00 1.08 0.00 0.00 64.86 65.62 1kk4 h ILE 201 Cb 0.52 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 37.45 1kk4 h ILE 201 CO 0.00 0.06 -0.40 0.40 -1.08 0.00 0.00 178.15 177.12 1kk4 h ILE 202 N 0.00 0.18 -0.78 2.19 2.04 -1.84 -2.90 117.51 116.40 1kk4 h ILE 202 Ca -0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1kk4 h ILE 202 Cb 0.19 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 1kk4 h ILE 202 CO 0.01 0.00 0.52 0.03 0.00 0.00 0.00 178.15 178.70 1kk4 h ARG 203 N -1.07 0.50 0.00 2.37 3.08 -1.74 -2.63 114.38 114.89 1kk4 h ARG 203 Ca -0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1kk4 h ARG 203 Cb 0.84 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1kk4 h ARG 203 CO 0.14 0.33 0.00 0.39 -1.07 0.00 0.00 179.97 179.77 1kk4 n GLU 204 N -4.50 0.44 -0.00 0.04 -0.58 -1.10 -1.35 120.64 113.59 1kk4 n GLU 204 Ca 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1kk4 n GLU 204 Cb 0.48 -1.16 -0.01 0.00 -0.57 0.00 0.00 31.44 30.18 1kk4 n GLU 204 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1kk4 n VAL 205 N -0.66 0.03 0.00 2.62 0.31 -0.99 -5.09 118.33 114.54 1kk4 n VAL 205 Ca 0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1kk4 n VAL 205 Cb 0.02 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 1kk4 n VAL 205 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81