#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 0.05 3.91 -5.12 0.00 -1.26 -5.01 105.19 97.76 1kk4 n GLY 2 Ca 0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.35 1.78 -0.41 1.61 0.04 -1.26 -5.00 135.00 129.41 1kk4 s PRO 3 Ca 0.00 -0.00 -0.27 0.00 0.04 0.00 0.00 61.00 60.77 1kk4 s PRO 3 Cb 0.00 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1kk4 s PRO 3 CO 0.00 -1.70 1.00 1.21 0.04 0.00 0.00 177.00 177.55 1kk4 s ASN 4 N -4.62 6.67 0.58 6.66 3.84 -1.26 -4.90 114.94 121.90 1kk4 s ASN 4 Ca 0.64 0.53 0.29 0.00 0.21 0.00 0.00 52.86 54.53 1kk4 s ASN 4 Cb -0.10 -2.49 1.47 0.00 -0.55 0.00 0.00 41.25 39.58 1kk4 s ASN 4 CO 0.49 -0.99 1.90 1.55 -2.79 0.00 0.00 177.10 177.26 1kk4 h PRO 5 N 8.72 0.00 0.00 0.43 0.13 -1.95 0.73 132.00 140.07 1kk4 h PRO 5 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1kk4 h PRO 5 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1kk4 h PRO 5 CO 1.03 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.47 1kk4 n MET 6 N -3.85 0.22 -2.94 0.86 2.81 -1.26 -4.59 117.12 108.37 1kk4 n MET 6 Ca 0.10 0.07 -0.41 0.00 -1.81 0.00 0.00 57.70 55.65 1kk4 n MET 6 Cb 0.71 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.67 1kk4 n MET 6 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1kk4 s LYS 7 N -2.73 4.23 0.09 0.03 2.20 0.26 -4.73 119.74 119.08 1kk4 s LYS 7 Ca 0.19 0.90 -0.36 0.00 -0.36 0.00 0.00 55.97 56.34 1kk4 s LYS 7 Cb 0.16 -3.61 -0.17 0.00 -1.51 0.00 0.00 37.83 32.70 1kk4 s LYS 7 CO 0.39 -0.40 1.56 0.52 -0.36 0.00 0.00 175.35 177.06 1kk4 h MET 8 N 7.53 -0.91 -3.99 4.03 2.86 -1.85 -3.35 114.93 119.26 1kk4 h MET 8 Ca -0.27 0.06 -0.72 0.00 -2.06 0.00 0.00 59.70 56.71 1kk4 h MET 8 Cb 1.12 0.21 -0.32 0.00 0.06 0.00 0.00 31.60 32.66 1kk4 h MET 8 CO 0.84 -0.61 -0.33 0.71 1.06 0.00 0.00 176.91 178.58 1kk4 s TYR 9 N -5.83 3.49 0.25 -0.22 1.51 -1.26 0.11 117.35 115.41 1kk4 s TYR 9 Ca -0.17 -2.28 -0.05 0.00 -1.01 0.00 0.00 57.07 53.55 1kk4 s TYR 9 Cb 0.05 -3.40 0.29 0.00 -0.11 0.00 0.00 41.96 38.79 1kk4 s TYR 9 CO 0.60 -0.93 1.87 -1.00 -1.11 0.00 0.00 175.55 174.98 1kk4 h PRO 10 N 7.76 1.16 -5.57 -1.71 0.13 -1.76 -3.42 132.00 128.60 1kk4 h PRO 10 Ca -0.08 -0.14 -0.61 0.00 -0.87 0.00 0.00 66.00 64.31 1kk4 h PRO 10 Cb 1.02 -0.23 -0.11 0.00 0.13 0.00 0.00 31.00 31.81 1kk4 h PRO 10 CO 0.77 0.85 0.22 0.42 -0.23 0.00 0.00 178.00 180.03 1kk4 s ILE 11 N -5.75 4.94 0.34 -3.56 1.01 -1.26 -4.97 121.20 111.95 1kk4 s ILE 11 Ca -0.12 1.12 -0.28 0.00 0.00 0.00 0.00 60.65 61.37 1kk4 s ILE 11 Cb 0.17 -3.99 -0.12 0.00 0.01 0.00 0.00 42.46 38.52 1kk4 s ILE 11 CO 0.82 -0.05 1.24 -0.62 0.00 0.00 0.00 174.94 176.32 1kk4 n GLU 12 N 5.84 1.97 -0.05 2.79 1.02 -1.26 -1.49 120.64 129.45 1kk4 n GLU 12 Ca 0.00 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1kk4 n GLU 12 Cb 0.49 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 1kk4 n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kk4 n GLY 13 N 0.85 1.36 3.48 0.62 0.00 -1.26 -4.94 105.19 105.29 1kk4 n GLY 13 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.92 5.50 -0.02 1.61 3.84 -0.56 -4.95 114.94 117.45 1kk4 s ASN 14 Ca 0.00 -0.29 0.12 0.00 0.21 0.00 0.00 52.86 52.91 1kk4 s ASN 14 Cb 0.00 -2.00 0.36 0.00 -0.55 0.00 0.00 41.25 39.06 1kk4 s ASN 14 CO 0.00 -0.10 1.30 2.29 -2.79 0.00 0.00 177.10 177.80 1kk4 n LYS 15 N 4.98 2.89 -0.11 0.43 -0.00 -1.26 -4.50 118.16 120.59 1kk4 n LYS 15 Ca -0.15 -2.18 -0.23 0.00 -0.00 0.00 0.00 58.31 55.75 1kk4 n LYS 15 Cb 0.51 -1.36 -0.11 0.00 -0.00 0.00 0.00 35.03 34.07 1kk4 n LYS 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1kk4 n SER 16 N 0.51 1.88 -4.65 -5.58 2.88 -1.26 -4.84 113.62 102.57 1kk4 n SER 16 Ca 0.14 0.41 -0.43 0.00 -1.33 0.00 0.00 58.87 57.66 1kk4 n SER 16 Cb 0.49 -0.93 -0.02 0.00 -0.75 0.00 0.00 64.21 63.00 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 -2.40 4.42 0.03 2.46 1.01 -1.26 -1.74 120.40 122.92 1kk4 s VAL 17 Ca -0.31 1.67 0.02 0.00 0.00 0.00 0.00 61.98 63.36 1kk4 s VAL 17 Cb 0.08 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1kk4 s VAL 17 CO 0.55 -0.33 -0.07 0.00 0.00 0.00 0.00 175.10 175.25 1kk4 s GLN 18 N 3.62 0.49 -0.19 2.72 -2.07 -0.97 -4.34 119.66 118.93 1kk4 s GLN 18 Ca 0.49 -0.68 -0.23 0.00 -1.82 0.00 0.00 55.36 53.13 1kk4 s GLN 18 Cb -0.16 -0.27 -0.02 0.00 -1.09 0.00 0.00 33.01 31.47 1kk4 s GLN 18 CO 0.15 0.05 0.73 -0.06 -1.32 0.00 0.00 175.29 174.83 1kk4 s PHE 19 N -1.23 3.39 0.19 9.60 2.99 0.30 -1.24 117.98 131.96 1kk4 s PHE 19 Ca -0.09 1.07 -0.10 0.00 0.00 0.00 0.00 56.93 57.81 1kk4 s PHE 19 Cb -0.09 -2.91 0.10 0.00 0.00 0.00 0.00 43.02 40.12 1kk4 s PHE 19 CO 0.00 -0.22 1.72 0.82 -0.00 0.00 0.00 175.22 177.54 1kk4 h ILE 20 N 5.21 1.25 -0.00 0.64 2.04 -1.83 -3.31 117.51 121.51 1kk4 h ILE 20 Ca -0.30 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 64.73 1kk4 h ILE 20 Cb 1.13 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 1kk4 h ILE 20 CO 0.81 0.33 -0.51 0.50 0.00 0.00 0.00 178.15 179.28 1kk4 h LYS 21 N 0.96 -0.63 0.00 2.37 3.64 -1.80 0.27 116.57 121.39 1kk4 h LYS 21 Ca 0.21 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1kk4 h LYS 21 Cb 0.29 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1kk4 h LYS 21 CO -0.01 -0.42 -0.07 -1.00 -2.27 0.00 0.00 179.45 175.68 1kk4 h PRO 22 N -0.65 0.00 0.03 1.90 0.13 -1.81 -2.09 132.00 129.51 1kk4 h PRO 22 Ca 0.02 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.05 1kk4 h PRO 22 Cb 0.71 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.85 1kk4 h PRO 22 CO -0.35 0.07 -0.41 0.82 -0.23 0.00 0.00 178.00 177.90 1kk4 h ILE 23 N 0.00 1.55 -0.39 -3.56 2.04 -1.33 -3.30 117.51 112.52 1kk4 h ILE 23 Ca -0.00 -2.16 0.00 0.00 1.00 0.00 0.00 64.86 63.70 1kk4 h ILE 23 Cb 0.20 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 1kk4 h ILE 23 CO 0.01 0.60 0.00 0.18 0.00 0.00 0.00 178.15 178.94 1kk4 n LEU 24 N -4.38 2.54 0.29 1.44 4.77 0.83 -4.20 117.00 118.29 1kk4 n LEU 24 Ca -0.11 -1.28 -0.17 0.00 -0.03 0.00 0.00 56.01 54.43 1kk4 n LEU 24 Cb 0.60 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1kk4 n LEU 24 CO 0.42 0.52 0.66 -0.08 -1.33 0.00 0.00 177.39 177.58 1kk4 h GLU 25 N 2.34 -0.75 -3.95 3.23 4.81 -1.46 -3.15 114.58 115.64 1kk4 h GLU 25 Ca 0.00 0.05 -0.34 0.00 -0.13 0.00 0.00 59.36 58.94 1kk4 h GLU 25 Cb 0.74 0.17 0.03 0.00 0.63 0.00 0.00 28.75 30.32 1kk4 h GLU 25 CO 0.07 -0.50 1.95 1.63 -0.73 0.00 0.00 179.01 181.43 1kk4 n LYS 26 N -5.45 1.15 -3.58 1.92 5.02 -1.26 -4.66 118.16 111.30 1kk4 n LYS 26 Ca -0.12 -1.20 -0.16 0.00 -2.02 0.00 0.00 58.31 54.81 1kk4 n LYS 26 Cb 0.35 -2.41 -0.07 0.00 -0.02 0.00 0.00 35.03 32.88 1kk4 n LYS 26 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kk4 s LEU 27 N 0.25 -0.53 -0.07 -0.35 1.43 -1.19 -5.16 118.68 113.05 1kk4 s LEU 27 Ca 0.34 0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 54.27 1kk4 s LEU 27 Cb 0.08 2.38 -0.04 0.00 0.03 0.00 0.00 46.19 48.65 1kk4 s LEU 27 CO 0.04 -0.48 0.17 -0.70 0.23 0.00 0.00 176.35 175.61 1kk4 s GLU 28 N -0.70 3.46 -1.41 1.70 2.12 -1.26 -4.30 118.70 118.30 1kk4 s GLU 28 Ca -0.08 -0.19 -0.00 0.00 0.36 0.00 0.00 54.97 55.06 1kk4 s GLU 28 Cb -0.02 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1kk4 s GLU 28 CO 0.07 0.73 0.01 0.09 -0.54 0.00 0.00 175.26 175.62 1kk4 n ASN 29 N 1.54 -4.92 -3.87 -1.70 3.02 -1.26 -4.93 115.26 103.14 1kk4 n ASN 29 Ca -0.16 -0.02 -0.26 0.00 -0.03 0.00 0.00 54.58 54.11 1kk4 n ASN 29 Cb 0.54 -4.02 -0.17 0.00 -0.61 0.00 0.00 39.78 35.52 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 -2.83 0.90 -0.11 2.41 1.01 -1.26 -0.30 120.40 120.21 1kk4 s VAL 30 Ca 0.01 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1kk4 s VAL 30 Cb -0.00 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.39 1kk4 s VAL 30 CO 0.01 0.28 -0.21 -1.61 0.00 0.00 0.00 175.10 173.56 1kk4 s GLU 31 N 1.75 2.85 -0.00 2.72 2.02 -0.12 -4.94 118.70 122.98 1kk4 s GLU 31 Ca 0.04 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.26 1kk4 s GLU 31 Cb -0.13 -2.24 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 1kk4 s GLU 31 CO -0.08 0.07 -0.11 0.08 0.02 0.00 0.00 175.26 175.25 1kk4 s VAL 32 N 0.62 0.84 0.79 2.63 1.01 -1.26 -1.02 120.40 124.00 1kk4 s VAL 32 Ca -0.13 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1kk4 s VAL 32 Cb -0.17 -0.71 0.07 0.00 0.00 0.00 0.00 36.38 35.58 1kk4 s VAL 32 CO 0.03 0.19 1.13 -0.83 0.00 0.00 0.00 175.10 175.62 1kk4 s GLY 33 N -0.37 1.84 0.05 4.51 0.00 0.17 -4.81 107.32 108.71 1kk4 s GLY 33 Ca 0.03 0.49 -0.20 0.00 0.00 0.00 0.00 44.72 45.04 1kk4 s GLY 33 CO -0.00 0.87 1.32 0.83 0.00 0.00 0.00 173.10 176.11 1kk4 h GLU 34 N -1.07 -0.58 -0.01 2.90 4.39 -1.90 -3.34 114.58 114.98 1kk4 h GLU 34 Ca -0.44 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1kk4 h GLU 34 Cb 1.25 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1kk4 h GLU 34 CO 0.49 -0.38 -0.22 0.66 -1.16 0.00 0.00 179.01 178.40 1kk4 n TYR 35 N -4.11 0.00 -1.64 4.33 4.02 -1.26 -4.61 117.16 113.89 1kk4 n TYR 35 Ca -0.07 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.38 1kk4 n TYR 35 Cb 0.27 -0.14 -0.01 0.00 -0.02 0.00 0.00 39.34 39.44 1kk4 n TYR 35 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1kk4 n SER 36 N -0.73 2.02 -4.32 7.72 7.64 -1.25 -4.47 113.62 120.23 1kk4 n SER 36 Ca 0.13 1.19 -0.17 0.00 1.01 0.00 0.00 58.87 61.03 1kk4 n SER 36 Cb 0.33 -1.38 -0.10 0.00 -1.01 0.00 0.00 64.21 62.05 1kk4 n SER 36 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1kk4 s TYR 37 N -0.93 1.52 -0.05 1.43 -0.85 -0.69 -2.79 117.35 114.99 1kk4 s TYR 37 Ca 0.59 -0.94 0.04 0.00 -0.52 0.00 0.00 57.07 56.24 1kk4 s TYR 37 Cb -0.65 -0.88 -0.00 0.00 0.38 0.00 0.00 41.96 40.81 1kk4 s TYR 37 CO 0.59 -0.07 -0.18 -0.47 -1.52 0.00 0.00 175.55 173.90 1kk4 s TYR 38 N -3.46 1.85 -0.60 -3.49 5.04 -0.37 -1.35 117.35 114.96 1kk4 s TYR 38 Ca 0.28 -0.57 -0.15 0.00 -2.44 0.00 0.00 57.07 54.19 1kk4 s TYR 38 Cb 0.06 -1.25 0.15 0.00 0.35 0.00 0.00 41.96 41.27 1kk4 s TYR 38 CO 0.08 -0.20 0.56 0.34 -1.34 0.00 0.00 175.55 174.99 1kk4 s ASP 39 N 0.10 6.31 0.22 4.32 2.15 -0.51 -2.30 116.67 126.96 1kk4 s ASP 39 Ca -0.06 -1.99 -0.30 0.00 0.43 0.00 0.00 52.55 50.62 1kk4 s ASP 39 Cb -0.13 -2.21 -0.15 0.00 -0.30 0.00 0.00 42.92 40.13 1kk4 s ASP 39 CO 0.03 -0.79 0.98 -0.24 -0.17 0.00 0.00 175.17 174.98 1kk4 n SER 40 N 4.96 0.81 -0.09 -0.34 2.88 -0.71 -2.64 113.62 118.49 1kk4 n SER 40 Ca -0.08 1.16 -0.18 0.00 -1.33 0.00 0.00 58.87 58.44 1kk4 n SER 40 Cb 0.42 -1.19 -0.12 0.00 -0.75 0.00 0.00 64.21 62.57 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 2.36 0.00 0.00 -1.46 3.64 -1.90 -3.42 116.57 115.79 1kk4 h LYS 41 Ca -0.39 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1kk4 h LYS 41 Cb 1.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1kk4 h LYS 41 CO 0.64 1.00 0.00 0.09 -2.27 0.00 0.00 179.45 178.91 1kk4 n ASN 42 N -4.51 1.46 0.00 4.20 3.02 -1.26 -4.96 115.26 113.20 1kk4 n ASN 42 Ca -0.22 -1.71 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1kk4 n ASN 42 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 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 -0.35 0.57 3.77 7.41 0.00 -1.26 -5.08 105.19 110.25 1kk4 n GLY 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.75 3.16 0.10 1.61 1.03 -1.26 -5.01 118.70 117.58 1kk4 s GLU 44 Ca 0.00 1.55 -0.18 0.00 0.03 0.00 0.00 54.97 56.37 1kk4 s GLU 44 Cb 0.00 -1.98 -0.07 0.00 -0.80 0.00 0.00 34.13 31.28 1kk4 s GLU 44 CO 0.00 -0.99 0.57 0.95 -1.33 0.00 0.00 175.26 174.46 1kk4 s THR 45 N -1.95 4.76 0.47 1.83 -4.23 -1.26 -4.74 115.64 110.52 1kk4 s THR 45 Ca 0.71 1.12 0.31 0.00 -1.18 0.00 0.00 61.69 62.65 1kk4 s THR 45 Cb -0.23 -3.85 0.51 0.00 1.34 0.00 0.00 72.50 70.26 1kk4 s THR 45 CO 0.32 0.45 1.71 0.15 -0.54 0.00 0.00 174.62 176.71 1kk4 h PHE 46 N 4.21 0.36 -0.29 3.99 3.57 -1.96 0.31 116.94 127.13 1kk4 h PHE 46 Ca -0.49 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.11 1kk4 h PHE 46 Cb 1.21 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1kk4 h PHE 46 CO 0.67 -0.05 0.27 0.38 -2.23 0.00 0.00 178.31 177.35 1kk4 h ASP 47 N 0.14 0.00 0.51 0.41 2.03 -1.93 0.87 116.42 118.46 1kk4 h ASP 47 Ca 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.00 1kk4 h ASP 47 Cb 2.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.81 1kk4 h ASP 47 CO -0.22 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.28 1kk4 n LYS 48 N -3.98 0.24 -0.15 4.15 4.76 0.10 -2.60 118.16 120.67 1kk4 n LYS 48 Ca 0.04 0.09 0.11 0.00 -2.87 0.00 0.00 58.31 55.68 1kk4 n LYS 48 Cb 0.42 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.30 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 -1.34 2.41 -3.51 1.97 1.13 0.30 -4.80 117.38 113.54 1kk4 n GLN 49 Ca 0.09 -2.18 -0.42 0.00 -1.94 0.00 0.00 57.00 52.55 1kk4 n GLN 49 Cb 0.20 -1.49 -0.08 0.00 0.11 0.00 0.00 30.24 28.98 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 -1.53 4.56 0.16 5.09 1.01 -1.07 -2.22 121.20 127.20 1kk4 s ILE 50 Ca 0.35 -1.43 -0.13 0.00 0.00 0.00 0.00 60.65 59.44 1kk4 s ILE 50 Cb 0.21 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.78 1kk4 s ILE 50 CO 0.30 -0.63 0.54 -0.76 0.00 0.00 0.00 174.94 174.39 1kk4 s LEU 51 N 1.48 4.31 -1.55 2.97 1.43 0.35 -4.49 118.68 123.17 1kk4 s LEU 51 Ca 0.04 1.03 -0.13 0.00 -1.03 0.00 0.00 54.13 54.04 1kk4 s LEU 51 Cb -0.25 -3.32 0.09 0.00 0.03 0.00 0.00 46.19 42.74 1kk4 s LEU 51 CO 0.02 0.08 0.87 -1.22 0.23 0.00 0.00 176.35 176.33 1kk4 n TYR 52 N 0.64 -2.08 -3.21 0.29 4.02 -1.26 -1.00 117.16 114.55 1kk4 n TYR 52 Ca -0.04 0.86 -0.44 0.00 -0.01 0.00 0.00 57.90 58.26 1kk4 n TYR 52 Cb 0.52 -3.73 -0.06 0.00 -0.02 0.00 0.00 39.34 36.05 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 -3.38 3.10 -0.23 -0.72 2.46 -1.26 -0.56 115.29 114.70 1kk4 s HIS 53 Ca 0.58 -0.85 -0.06 0.00 0.47 0.00 0.00 55.06 55.20 1kk4 s HIS 53 Cb -0.30 -3.64 -0.02 0.00 -0.13 0.00 0.00 32.58 28.49 1kk4 s HIS 53 CO 0.86 -1.06 0.03 0.71 -2.47 0.00 0.00 174.74 172.80 1kk4 s TYR 54 N 2.30 3.04 0.32 3.88 4.12 -1.26 -5.00 117.35 124.74 1kk4 s TYR 54 Ca 0.10 -0.59 0.08 0.00 0.02 0.00 0.00 57.07 56.68 1kk4 s TYR 54 Cb -0.23 -2.18 0.80 0.00 -1.52 0.00 0.00 41.96 38.84 1kk4 s TYR 54 CO 0.08 -0.40 1.78 -1.00 0.02 0.00 0.00 175.55 176.03 1kk4 h PRO 55 N 8.09 0.68 -0.56 -1.71 0.13 -1.92 -1.78 132.00 134.93 1kk4 h PRO 55 Ca -0.39 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.71 1kk4 h PRO 55 Cb 1.17 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.12 1kk4 h PRO 55 CO 0.59 0.45 0.37 0.97 -0.23 0.00 0.00 178.00 180.15 1kk4 h ILE 56 N 0.70 1.14 0.00 -3.56 -0.00 -1.99 0.14 117.51 113.94 1kk4 h ILE 56 Ca 0.58 -0.26 0.00 0.00 -0.00 0.00 0.00 64.86 65.18 1kk4 h ILE 56 Cb 0.99 0.32 0.00 0.00 -0.00 0.00 0.00 36.82 38.13 1kk4 h ILE 56 CO -0.37 0.14 0.00 0.18 -0.00 0.00 0.00 178.15 178.10 1kk4 n LEU 57 N -4.45 0.13 -3.85 2.19 4.77 -0.67 -4.92 117.00 110.20 1kk4 n LEU 57 Ca 0.05 0.53 -0.34 0.00 -0.03 0.00 0.00 56.01 56.22 1kk4 n LEU 57 Cb 0.05 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1kk4 n LEU 57 CO 0.36 -0.25 -0.15 -3.20 -1.33 0.00 0.00 177.39 172.82 1kk4 n ASN 58 N -1.64 -4.81 -4.17 -1.43 5.15 0.50 -4.99 115.26 103.86 1kk4 n ASN 58 Ca 0.04 -1.07 -0.31 0.00 -0.60 0.00 0.00 54.58 52.64 1kk4 n ASN 58 Cb 0.22 -2.19 -0.17 0.00 -0.53 0.00 0.00 39.78 37.11 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 -3.31 2.85 0.28 1.20 -4.77 -1.26 -5.01 116.67 106.65 1kk4 s ASP 59 Ca 0.30 -0.52 0.06 0.00 -3.30 0.00 0.00 52.55 49.10 1kk4 s ASP 59 Cb -0.15 -1.31 -0.02 0.00 -1.09 0.00 0.00 42.92 40.35 1kk4 s ASP 59 CO 0.92 0.12 0.35 -0.54 0.70 0.00 0.00 175.17 176.72 1kk4 s LYS 60 N 0.49 3.15 -0.08 2.11 3.01 -1.26 -4.86 119.74 122.31 1kk4 s LYS 60 Ca -0.16 -0.96 0.02 0.00 -1.01 0.00 0.00 55.97 53.86 1kk4 s LYS 60 Cb -0.17 -2.75 0.02 0.00 -1.01 0.00 0.00 37.83 33.91 1kk4 s LYS 60 CO 0.06 0.28 -0.11 -1.17 0.51 0.00 0.00 175.35 174.91 1kk4 s LEU 61 N -4.01 1.55 -0.05 3.17 2.96 0.59 -2.82 118.68 120.08 1kk4 s LEU 61 Ca 0.38 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1kk4 s LEU 61 Cb -0.08 -0.84 -0.00 0.00 0.50 0.00 0.00 46.19 45.77 1kk4 s LEU 61 CO 0.28 0.00 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.60 1kk4 s LYS 62 N 0.89 1.83 -0.05 1.98 1.02 -0.54 -0.95 119.74 123.93 1kk4 s LYS 62 Ca -0.10 -0.61 0.03 0.00 0.02 0.00 0.00 55.97 55.30 1kk4 s LYS 62 Cb -0.15 -1.58 0.01 0.00 -0.52 0.00 0.00 37.83 35.59 1kk4 s LYS 62 CO 0.01 0.24 -0.13 0.42 -0.92 0.00 0.00 175.35 174.96 1kk4 s ILE 63 N 0.07 1.16 0.00 2.17 1.01 -0.19 0.62 121.20 126.04 1kk4 s ILE 63 Ca -0.05 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1kk4 s ILE 63 Cb -0.12 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.32 1kk4 s ILE 63 CO 0.02 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.93 1kk4 n GLY 64 N 3.49 -1.57 3.80 6.18 0.00 0.90 0.41 105.19 118.41 1kk4 n GLY 64 Ca -0.20 -1.44 -0.22 0.00 0.00 0.00 0.00 46.02 44.16 1kk4 n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kk4 s LYS 65 N 0.00 2.55 -1.51 1.61 -2.85 -1.26 -1.92 119.74 116.35 1kk4 s LYS 65 Ca 0.00 -1.44 -0.00 0.00 -1.00 0.00 0.00 55.97 53.53 1kk4 s LYS 65 Cb 0.00 -2.33 0.00 0.00 -2.06 0.00 0.00 37.83 33.44 1kk4 s LYS 65 CO 0.00 0.06 0.02 1.19 0.10 0.00 0.00 175.35 176.72 1kk4 n PHE 66 N -1.30 -1.19 -3.27 1.78 3.01 -1.26 -0.63 117.46 114.60 1kk4 n PHE 66 Ca -0.02 0.02 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 1kk4 n PHE 66 Cb 0.61 -3.54 -0.06 0.00 -0.01 0.00 0.00 39.48 36.48 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 -1.34 5.34 -0.29 0.00 0.01 0.51 -1.70 113.70 116.24 1kk4 s SER 68 Ca 0.33 -1.62 -0.10 0.00 1.31 0.00 0.00 55.95 55.87 1kk4 s SER 68 Cb -0.18 -1.87 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 1kk4 s SER 68 CO 0.19 -0.47 0.14 -0.63 0.41 0.00 0.00 173.24 172.89 1kk4 s ILE 69 N 1.29 4.74 0.91 1.44 1.01 -0.46 -1.71 121.20 128.43 1kk4 s ILE 69 Ca 0.03 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 1kk4 s ILE 69 Cb -0.22 -3.32 0.14 0.00 0.01 0.00 0.00 42.46 39.06 1kk4 s ILE 69 CO -0.01 0.18 1.11 -0.83 0.00 0.00 0.00 174.94 175.40 1kk4 s GLY 70 N 1.66 1.59 0.52 6.18 0.00 -0.41 -1.42 107.32 115.43 1kk4 s GLY 70 Ca 0.06 -0.37 -0.22 0.00 0.00 0.00 0.00 44.72 44.19 1kk4 s GLY 70 CO 0.07 0.17 1.18 -1.55 0.00 0.00 0.00 173.10 172.97 1kk4 n PRO 71 N -3.84 1.47 -1.09 2.90 -0.04 -1.08 -2.90 135.00 130.42 1kk4 n PRO 71 Ca 0.06 0.54 -0.05 0.00 -0.04 0.00 0.00 63.50 64.01 1kk4 n PRO 71 Cb 0.58 -2.34 -0.02 0.00 -0.04 0.00 0.00 33.50 31.68 1kk4 n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kk4 n GLY 72 N 0.98 0.48 3.75 0.55 0.00 -1.26 0.11 105.19 109.80 1kk4 n GLY 72 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1kk4 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kk4 s VAL 73 N -1.37 2.56 -0.05 1.61 1.01 -1.14 -3.94 120.40 119.07 1kk4 s VAL 73 Ca 0.00 0.50 0.06 0.00 0.00 0.00 0.00 61.98 62.54 1kk4 s VAL 73 Cb 0.00 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1kk4 s VAL 73 CO 0.00 0.09 -0.23 -0.89 0.00 0.00 0.00 175.10 174.08 1kk4 s THR 74 N -0.39 1.86 -0.17 3.92 2.01 0.43 -4.88 115.64 118.42 1kk4 s THR 74 Ca 0.56 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 1kk4 s THR 74 Cb -0.42 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 1kk4 s THR 74 CO 0.48 0.52 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.19 1kk4 s ILE 75 N -0.13 2.97 -0.34 1.82 1.01 -0.94 -0.30 121.20 125.30 1kk4 s ILE 75 Ca -0.03 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 1kk4 s ILE 75 Cb -0.13 -2.29 0.05 0.00 0.01 0.00 0.00 42.46 40.10 1kk4 s ILE 75 CO 0.03 0.49 0.11 -0.63 0.00 0.00 0.00 174.94 174.94 1kk4 s ILE 76 N 0.93 3.65 0.60 2.92 1.01 -0.49 -0.50 121.20 129.32 1kk4 s ILE 76 Ca -0.02 -1.26 -0.09 0.00 0.00 0.00 0.00 60.65 59.28 1kk4 s ILE 76 Cb -0.15 -3.11 0.14 0.00 0.01 0.00 0.00 42.46 39.34 1kk4 s ILE 76 CO -0.01 -0.23 0.82 0.23 0.00 0.00 0.00 174.94 175.76 1kk4 n MET 77 N 4.77 -0.65 0.00 2.79 2.81 -0.17 -1.83 117.12 124.84 1kk4 n MET 77 Ca -0.12 -1.42 0.07 0.00 -1.81 0.00 0.00 57.70 54.42 1kk4 n MET 77 Cb 0.44 -0.80 0.35 0.00 -0.71 0.00 0.00 33.22 32.50 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 -3.44 0.00 0.00 7.83 3.02 -1.25 -3.71 115.26 117.72 1kk4 n ASN 78 Ca 0.11 0.05 0.05 0.00 -0.03 0.00 0.00 54.58 54.76 1kk4 n ASN 78 Cb 0.38 -0.26 0.27 0.00 -0.61 0.00 0.00 39.78 39.55 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 -0.13 -0.38 0.66 7.41 0.00 0.28 -2.59 105.19 110.43 1kk4 n GLY 79 Ca 0.07 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.88 2.45 -2.35 4.61 0.00 -1.24 -4.95 120.51 118.15 1kk4 n ALA 80 Ca 0.07 -0.68 -0.40 0.00 0.00 0.00 0.00 53.44 52.42 1kk4 n ALA 80 Cb 0.03 -0.54 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.28 7.32 -0.06 0.00 0.01 -1.07 -5.05 114.94 114.82 1kk4 s ASN 81 Ca 0.20 1.58 -0.06 0.00 -0.71 0.00 0.00 52.86 53.87 1kk4 s ASN 81 Cb 0.13 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 1kk4 s ASN 81 CO 0.20 -0.02 0.19 -1.00 -1.51 0.00 0.00 177.10 174.97 1kk4 s HIS 82 N -0.04 3.59 0.59 2.20 3.76 -1.26 -4.92 115.29 119.21 1kk4 s HIS 82 Ca 0.42 0.52 -0.20 0.00 -0.15 0.00 0.00 55.06 55.64 1kk4 s HIS 82 Cb -0.22 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 1kk4 s HIS 82 CO 0.26 0.68 1.25 -2.13 -0.85 0.00 0.00 174.74 173.95 1kk4 n ARG 83 N 1.50 1.34 -1.04 1.40 0.63 -1.26 -4.77 116.66 114.46 1kk4 n ARG 83 Ca -0.15 0.50 0.01 0.00 -0.92 0.00 0.00 57.85 57.29 1kk4 n ARG 83 Cb 0.54 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 30.98 1kk4 n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1kk4 n MET 84 N -1.28 0.00 0.18 -0.14 0.00 -1.26 -4.28 117.12 110.34 1kk4 n MET 84 Ca 0.13 -1.41 0.13 0.00 0.00 0.00 0.00 57.70 56.55 1kk4 n MET 84 Cb 0.46 -0.12 0.33 0.00 0.00 0.00 0.00 33.22 33.90 1kk4 n MET 84 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 175.97 176.35 1kk4 h ASP 85 N 0.48 0.00 0.00 3.17 2.03 -1.91 -3.45 116.42 116.75 1kk4 h ASP 85 Ca -0.17 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 1kk4 h ASP 85 Cb 1.61 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.11 1kk4 h ASP 85 CO 0.02 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.84 1kk4 n GLY 86 N 0.95 4.43 3.79 7.15 0.00 -1.26 -5.12 105.19 115.13 1kk4 n GLY 86 Ca 0.04 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 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 1.00 5.88 0.00 1.61 0.15 -1.26 -4.95 113.70 116.13 1kk4 s SER 87 Ca 0.00 2.01 0.27 0.00 0.70 0.00 0.00 55.95 58.93 1kk4 s SER 87 Cb 0.00 -2.56 0.78 0.00 -1.71 0.00 0.00 66.02 62.53 1kk4 s SER 87 CO 0.00 -1.10 1.58 0.35 1.20 0.00 0.00 173.24 175.27 1kk4 n THR 88 N -1.42 0.00 -2.07 6.45 -2.24 -1.26 -4.61 114.28 109.13 1kk4 n THR 88 Ca 0.10 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1kk4 n THR 88 Cb 0.52 0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 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 -2.22 2.48 -1.26 4.78 5.04 -1.26 -4.74 117.35 120.17 1kk4 s TYR 89 Ca 0.30 0.49 -0.16 0.00 -2.44 0.00 0.00 57.07 55.26 1kk4 s TYR 89 Cb 0.20 -3.83 0.11 0.00 0.35 0.00 0.00 41.96 38.79 1kk4 s TYR 89 CO 0.42 -3.29 1.61 -1.25 -1.34 0.00 0.00 175.55 171.70 1kk4 s PRO 90 N 2.92 4.03 0.22 4.97 0.04 -1.26 -4.80 135.00 141.11 1kk4 s PRO 90 Ca 0.70 -2.23 -0.09 0.00 0.04 0.00 0.00 61.00 59.42 1kk4 s PRO 90 Cb -0.35 -5.34 0.18 0.00 0.04 0.00 0.00 34.50 29.04 1kk4 s PRO 90 CO 0.29 -2.06 1.89 0.74 0.04 0.00 0.00 177.00 177.90 1kk4 h PHE 91 N 7.43 1.01 -0.38 0.56 -1.00 -1.91 -2.70 116.94 119.96 1kk4 h PHE 91 Ca 0.39 0.02 0.11 0.00 2.81 0.00 0.00 57.97 61.31 1kk4 h PHE 91 Cb 0.87 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 40.08 1kk4 h PHE 91 CO 1.29 0.63 0.32 -2.95 -1.61 0.00 0.00 178.31 176.00 1kk4 h ASN 92 N 1.09 0.00 -0.28 2.17 7.08 -1.77 -2.43 115.58 121.43 1kk4 h ASN 92 Ca 0.30 0.00 0.01 0.00 -3.08 0.00 0.00 56.30 53.52 1kk4 h ASN 92 Cb -0.11 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.11 1kk4 h ASN 92 CO -0.07 0.00 0.19 0.25 -2.08 0.00 0.00 177.43 175.72 1kk4 h LEU 93 N 0.00 0.31 -1.85 6.14 5.85 -1.79 -2.82 115.31 121.15 1kk4 h LEU 93 Ca 0.18 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1kk4 h LEU 93 Cb 0.82 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1kk4 h LEU 93 CO -0.00 0.22 0.00 0.49 -0.34 0.00 0.00 178.44 178.81 1kk4 n PHE 94 N -4.50 0.63 -0.01 1.25 3.01 -0.92 -5.02 117.46 111.91 1kk4 n PHE 94 Ca 0.01 -0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.16 1kk4 n PHE 94 Cb 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 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 1.32 2.34 3.25 1.37 0.00 -1.06 -4.77 105.19 107.64 1kk4 n GLY 95 Ca 0.17 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 0.54 -4.06 0.00 1.61 3.02 -1.26 -0.25 115.26 114.86 1kk4 n ASN 96 Ca 0.00 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 1kk4 n ASN 96 Cb 0.00 -3.35 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 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 -1.20 1.76 0.04 7.41 0.00 -1.26 -4.91 105.19 107.02 1kk4 n GLY 97 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.70 0.33 -0.33 1.61 8.01 0.66 -3.99 117.44 122.03 1kk4 n TRP 98 Ca 0.00 0.09 0.14 0.00 -1.31 0.00 0.00 57.50 56.42 1kk4 n TRP 98 Cb 0.00 -0.57 0.36 0.00 -2.01 0.00 0.00 31.31 29.09 1kk4 n TRP 98 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 1kk4 h GLU 99 N 0.00 0.69 -0.85 -0.99 5.08 -1.71 -1.90 114.58 114.89 1kk4 h GLU 99 Ca 0.00 -0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.47 1kk4 h GLU 99 Cb 0.60 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1kk4 h GLU 99 CO 0.00 0.45 0.56 1.57 -1.00 0.00 0.00 179.01 180.59 1kk4 h LYS 100 N 0.71 0.55 -1.76 2.33 2.10 -1.92 -1.09 116.57 117.48 1kk4 h LYS 100 Ca 0.54 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 1kk4 h LYS 100 Cb 0.92 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 1kk4 h LYS 100 CO -0.32 0.36 0.00 0.72 -2.00 0.00 0.00 179.45 178.22 1kk4 n HIS 101 N -4.53 0.00 -2.41 0.07 8.25 -0.72 -4.82 115.22 111.06 1kk4 n HIS 101 Ca 0.17 -0.69 -0.41 0.00 -0.26 0.00 0.00 57.72 56.53 1kk4 n HIS 101 Cb 0.52 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 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 0.33 4.51 0.47 -0.41 -2.45 -0.42 -4.44 119.30 116.90 1kk4 s MET 102 Ca 0.00 1.82 -0.23 0.00 -1.25 0.00 0.00 55.69 56.03 1kk4 s MET 102 Cb 0.00 -3.26 -0.07 0.00 1.25 0.00 0.00 34.83 32.75 1kk4 s MET 102 CO 0.00 -0.07 1.25 -1.25 1.05 0.00 0.00 175.02 176.00 1kk4 s PRO 103 N -0.09 3.61 0.00 4.11 0.04 -1.26 -5.00 135.00 136.41 1kk4 s PRO 103 Ca 0.53 2.00 -0.20 0.00 0.04 0.00 0.00 61.00 63.36 1kk4 s PRO 103 Cb -0.31 -2.43 -0.06 0.00 0.04 0.00 0.00 34.50 31.74 1kk4 s PRO 103 CO 0.35 -0.74 0.58 0.15 0.04 0.00 0.00 177.00 177.39 1kk4 s LYS 104 N -2.67 4.29 0.28 4.56 1.02 -1.26 -4.95 119.74 121.02 1kk4 s LYS 104 Ca 0.65 0.72 0.01 0.00 0.02 0.00 0.00 55.97 57.37 1kk4 s LYS 104 Cb -0.34 -3.33 0.68 0.00 -0.52 0.00 0.00 37.83 34.32 1kk4 s LYS 104 CO 0.42 0.41 1.43 1.28 -0.92 0.00 0.00 175.35 177.97 1kk4 n LEU 105 N 2.58 -0.12 0.00 3.17 4.77 -1.26 0.31 117.00 126.45 1kk4 n LEU 105 Ca -0.08 1.55 0.03 0.00 -0.03 0.00 0.00 56.01 57.49 1kk4 n LEU 105 Cb 0.51 -0.56 0.17 0.00 -2.33 0.00 0.00 43.42 41.21 1kk4 n LEU 105 CO 0.43 -1.57 0.38 -0.90 -1.33 0.00 0.00 177.39 174.40 1kk4 n ASP 106 N -5.35 0.00 -0.03 -1.43 5.75 -1.26 -1.84 116.55 112.39 1kk4 n ASP 106 Ca 0.21 -0.62 0.01 0.00 -0.01 0.00 0.00 54.79 54.38 1kk4 n ASP 106 Cb 0.68 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.68 1kk4 n ASP 106 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kk4 n GLN 107 N -0.72 1.14 -2.56 0.11 6.02 0.91 -4.95 117.38 117.33 1kk4 n GLN 107 Ca 0.04 -0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 1kk4 n GLN 107 Cb 0.02 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 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 -4.24 4.40 -0.54 1.08 1.43 -0.77 -4.71 118.68 115.34 1kk4 s LEU 108 Ca -0.05 1.89 -0.27 0.00 -1.03 0.00 0.00 54.13 54.67 1kk4 s LEU 108 Cb 0.06 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.73 1kk4 s LEU 108 CO 0.47 -0.32 1.09 -2.16 0.23 0.00 0.00 176.35 175.67 1kk4 s PRO 109 N 0.69 3.53 -0.15 1.29 0.04 -1.26 -5.00 135.00 134.13 1kk4 s PRO 109 Ca 0.54 0.20 -0.07 0.00 0.04 0.00 0.00 61.00 61.71 1kk4 s PRO 109 Cb -0.26 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 1kk4 s PRO 109 CO 0.30 -1.51 0.11 0.42 0.04 0.00 0.00 177.00 176.35 1kk4 s ILE 110 N 4.47 5.20 -1.65 0.56 1.01 -1.26 -4.90 121.20 124.63 1kk4 s ILE 110 Ca 0.41 0.10 0.18 0.00 0.00 0.00 0.00 60.65 61.34 1kk4 s ILE 110 Cb -0.09 -3.30 0.51 0.00 0.01 0.00 0.00 42.46 39.59 1kk4 s ILE 110 CO 0.26 0.53 1.42 0.29 0.00 0.00 0.00 174.94 177.44 1kk4 n LYS 111 N 2.76 2.72 0.00 2.79 5.02 -1.26 -5.08 118.16 125.10 1kk4 n LYS 111 Ca -0.18 -2.41 0.00 0.00 -2.02 0.00 0.00 58.31 53.70 1kk4 n LYS 111 Cb 0.53 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1kk4 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kk4 n GLY 112 N 1.24 -3.22 3.82 0.72 0.00 -1.26 -4.46 105.19 102.02 1kk4 n GLY 112 Ca 0.20 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.54 4.99 -0.21 1.61 1.01 -1.26 -3.17 116.67 118.11 1kk4 s ASP 113 Ca 0.00 1.44 -0.06 0.00 0.71 0.00 0.00 52.55 54.64 1kk4 s ASP 113 Cb 0.00 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 1kk4 s ASP 113 CO 0.00 -1.67 0.03 -0.89 0.21 0.00 0.00 175.17 172.85 1kk4 s THR 114 N -3.11 4.21 -0.10 -1.27 2.01 -1.13 -3.75 115.64 112.50 1kk4 s THR 114 Ca 0.59 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.39 1kk4 s THR 114 Cb -0.14 -2.92 0.01 0.00 0.01 0.00 0.00 72.50 69.47 1kk4 s THR 114 CO 0.54 0.42 -0.16 -0.63 -0.69 0.00 0.00 174.62 174.10 1kk4 s ILE 115 N 0.97 1.50 -0.17 1.82 1.01 0.12 -1.46 121.20 124.99 1kk4 s ILE 115 Ca 0.02 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1kk4 s ILE 115 Cb -0.14 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 40.98 1kk4 s ILE 115 CO 0.02 0.44 -0.18 -0.63 0.00 0.00 0.00 174.94 174.59 1kk4 s ILE 116 N 0.84 2.34 0.00 2.92 1.01 0.20 -0.80 121.20 127.71 1kk4 s ILE 116 Ca -0.10 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1kk4 s ILE 116 Cb -0.15 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.34 1kk4 s ILE 116 CO 0.01 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1kk4 n GLY 117 N 4.34 -3.19 3.92 6.18 0.00 0.72 -0.07 105.19 117.10 1kk4 n GLY 117 Ca -0.20 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.87 6.09 -1.50 1.61 0.01 -1.26 -1.82 114.94 116.19 1kk4 s ASN 118 Ca 0.00 0.01 -0.08 0.00 -0.71 0.00 0.00 52.86 52.09 1kk4 s ASN 118 Cb 0.00 -1.74 0.06 0.00 0.41 0.00 0.00 41.25 39.98 1kk4 s ASN 118 CO 0.00 -0.02 0.65 -0.67 -1.51 0.00 0.00 177.10 175.55 1kk4 n ASP 119 N -1.04 -2.03 -4.60 -1.22 2.03 0.20 -1.09 116.55 108.80 1kk4 n ASP 119 Ca -0.08 -0.95 -0.34 0.00 0.52 0.00 0.00 54.79 53.94 1kk4 n ASP 119 Cb 0.56 -3.22 -0.11 0.00 -0.72 0.00 0.00 41.12 37.63 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 -3.63 3.92 -0.23 5.18 1.01 -1.25 -2.81 120.40 122.59 1kk4 s VAL 120 Ca 0.33 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1kk4 s VAL 120 Cb -0.17 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.60 1kk4 s VAL 120 CO 0.88 0.58 -0.10 0.86 0.00 0.00 0.00 175.10 177.32 1kk4 s TRP 121 N -0.62 3.02 -0.17 5.22 -0.00 -0.94 -0.36 118.94 125.09 1kk4 s TRP 121 Ca 0.10 -1.64 -0.03 0.00 -0.00 0.00 0.00 56.10 54.53 1kk4 s TRP 121 Cb -0.12 -2.01 -0.02 0.00 -0.00 0.00 0.00 33.47 31.32 1kk4 s TRP 121 CO 0.02 -0.76 -0.06 0.42 -0.00 0.00 0.00 176.95 176.57 1kk4 s ILE 122 N 1.30 3.53 0.99 5.86 1.01 -0.69 0.15 121.20 133.34 1kk4 s ILE 122 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 1kk4 s ILE 122 Cb -0.16 -2.55 0.18 0.00 0.01 0.00 0.00 42.46 39.94 1kk4 s ILE 122 CO -0.07 0.47 1.08 -0.83 0.00 0.00 0.00 174.94 175.60 1kk4 s GLY 123 N 0.76 1.60 0.45 6.18 0.00 0.12 -1.29 107.32 115.14 1kk4 s GLY 123 Ca -0.02 -0.05 -0.25 0.00 0.00 0.00 0.00 44.72 44.40 1kk4 s GLY 123 CO 0.02 0.52 1.34 -1.59 0.00 0.00 0.00 173.10 173.39 1kk4 s LYS 124 N -4.78 3.70 -1.84 2.90 -2.85 -1.26 -3.04 119.74 112.57 1kk4 s LYS 124 Ca 0.65 2.22 0.00 0.00 -1.00 0.00 0.00 55.97 57.85 1kk4 s LYS 124 Cb -0.21 -2.59 0.00 0.00 -2.06 0.00 0.00 37.83 32.97 1kk4 s LYS 124 CO 0.59 -0.74 0.00 -0.25 0.10 0.00 0.00 175.35 175.05 1kk4 n ASP 125 N -0.26 -5.79 -4.83 0.03 8.00 0.30 -2.01 116.55 111.99 1kk4 n ASP 125 Ca 0.06 0.08 -0.33 0.00 0.71 0.00 0.00 54.79 55.31 1kk4 n ASP 125 Cb 0.44 -4.87 -0.07 0.00 -0.02 0.00 0.00 41.12 36.60 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 -2.98 4.47 -0.11 2.53 1.01 -1.17 -4.00 120.40 120.15 1kk4 s VAL 126 Ca 0.00 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.34 1kk4 s VAL 126 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1kk4 s VAL 126 CO 0.00 -0.23 -0.19 -0.69 0.00 0.00 0.00 175.10 173.98 1kk4 s VAL 127 N -2.06 2.46 -0.34 2.92 1.01 -0.49 -0.43 120.40 123.47 1kk4 s VAL 127 Ca 0.58 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 1kk4 s VAL 127 Cb -0.10 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.36 1kk4 s VAL 127 CO 0.15 0.54 0.08 -0.63 0.00 0.00 0.00 175.10 175.25 1kk4 s ILE 128 N 0.36 3.25 0.94 2.22 1.01 0.60 -0.89 121.20 128.68 1kk4 s ILE 128 Ca -0.15 -1.51 -0.11 0.00 0.00 0.00 0.00 60.65 58.88 1kk4 s ILE 128 Cb -0.17 -2.96 0.16 0.00 0.01 0.00 0.00 42.46 39.50 1kk4 s ILE 128 CO 0.07 -0.28 1.11 -0.04 0.00 0.00 0.00 174.94 175.80 1kk4 s MET 129 N 1.25 0.82 0.52 2.79 -1.94 -0.81 -1.40 119.30 120.54 1kk4 s MET 129 Ca -0.01 1.28 -0.22 0.00 -1.71 0.00 0.00 55.69 55.04 1kk4 s MET 129 Cb -0.21 -1.72 -0.05 0.00 2.01 0.00 0.00 34.83 34.86 1kk4 s MET 129 CO -0.01 -2.68 1.28 -2.14 -0.01 0.00 0.00 175.02 171.47 1kk4 s PRO 130 N -4.68 3.31 -1.42 2.03 0.02 -0.76 -3.73 135.00 129.78 1kk4 s PRO 130 Ca 0.66 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1kk4 s PRO 130 Cb -0.22 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 32.03 1kk4 s PRO 130 CO 0.59 -1.00 0.00 0.41 -0.33 0.00 0.00 177.00 176.67 1kk4 n GLY 131 N 0.62 -0.17 3.92 0.52 0.00 -1.19 -4.91 105.19 103.98 1kk4 n GLY 131 Ca 0.10 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.80 5.28 -0.13 1.61 1.01 -1.24 -4.83 120.40 119.29 1kk4 s VAL 132 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1kk4 s VAL 132 Cb 0.00 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1kk4 s VAL 132 CO 0.00 -0.02 -0.02 -1.59 0.00 0.00 0.00 175.10 173.47 1kk4 s LYS 133 N -2.99 1.06 -0.35 2.72 0.00 -1.26 -0.70 119.74 118.23 1kk4 s LYS 133 Ca 0.34 -0.27 -0.13 0.00 0.00 0.00 0.00 55.97 55.92 1kk4 s LYS 133 Cb -0.12 -1.65 -0.01 0.00 0.00 0.00 0.00 37.83 36.06 1kk4 s LYS 133 CO 0.28 -0.40 0.24 0.42 0.00 0.00 0.00 175.35 175.88 1kk4 s ILE 134 N 1.79 5.13 1.22 3.79 1.01 0.02 -1.39 121.20 132.76 1kk4 s ILE 134 Ca 0.02 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.17 1kk4 s ILE 134 Cb -0.14 -3.69 0.31 0.00 0.01 0.00 0.00 42.46 38.95 1kk4 s ILE 134 CO -0.07 -0.06 1.01 -0.83 0.00 0.00 0.00 174.94 174.98 1kk4 s GLY 135 N 1.69 1.52 0.76 6.18 0.00 0.12 -0.20 107.32 117.40 1kk4 s GLY 135 Ca 0.05 -0.20 -0.13 0.00 0.00 0.00 0.00 44.72 44.44 1kk4 s GLY 135 CO 0.10 0.57 1.17 0.99 0.00 0.00 0.00 173.10 175.92 1kk4 s ASP 136 N -2.47 4.10 0.00 1.64 1.01 -1.26 -3.52 116.67 116.16 1kk4 s ASP 136 Ca 0.69 2.20 0.00 0.00 0.71 0.00 0.00 52.55 56.15 1kk4 s ASP 136 Cb -0.25 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.11 1kk4 s ASP 136 CO 0.65 -2.32 0.00 0.61 0.21 0.00 0.00 175.17 174.32 1kk4 n GLY 137 N 0.03 0.28 3.75 0.21 0.00 -0.25 0.72 105.19 109.93 1kk4 n GLY 137 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.36 2.22 -0.09 4.61 0.00 -1.23 -4.23 121.76 121.68 1kk4 s ALA 138 Ca 0.00 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.48 1kk4 s ALA 138 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.79 1kk4 s ALA 138 CO 0.00 -1.72 -0.16 0.42 0.00 0.00 0.00 175.76 174.31 1kk4 s ILE 139 N -2.53 1.49 -0.28 0.00 1.01 -0.31 -2.22 121.20 118.36 1kk4 s ILE 139 Ca 0.66 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 1kk4 s ILE 139 Cb -0.21 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 40.93 1kk4 s ILE 139 CO 0.49 0.44 0.04 -0.69 0.00 0.00 0.00 174.94 175.21 1kk4 s VAL 140 N 0.76 3.63 0.52 2.92 1.01 0.12 -1.94 120.40 127.42 1kk4 s VAL 140 Ca -0.11 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 60.86 1kk4 s VAL 140 Cb -0.16 -2.86 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 1kk4 s VAL 140 CO 0.02 0.12 1.10 0.00 0.00 0.00 0.00 175.10 176.34 1kk4 n ALA 141 N 4.80 0.64 -1.64 5.51 0.00 -0.72 0.14 120.51 129.25 1kk4 n ALA 141 Ca -0.15 0.12 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 1kk4 n ALA 141 Cb 0.48 -2.18 0.05 0.00 0.00 0.00 0.00 19.45 17.80 1kk4 n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kk4 n ALA 142 N -1.06 0.38 -2.12 0.00 0.00 -1.26 -2.93 120.51 113.52 1kk4 n ALA 142 Ca 0.11 0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.37 1kk4 n ALA 142 Cb 0.44 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.70 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 -0.86 -5.69 -4.94 0.00 3.02 -0.85 -4.82 115.26 101.12 1kk4 n ASN 143 Ca 0.14 0.16 -0.25 0.00 -0.03 0.00 0.00 54.58 54.60 1kk4 n ASN 143 Cb 0.47 -4.80 -0.02 0.00 -0.61 0.00 0.00 39.78 34.82 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 -2.32 6.33 -0.20 6.41 0.01 -1.15 -4.72 113.70 118.07 1kk4 s SER 144 Ca 0.00 0.41 0.01 0.00 1.31 0.00 0.00 55.95 57.68 1kk4 s SER 144 Cb 0.00 -2.01 0.03 0.00 0.21 0.00 0.00 66.02 64.25 1kk4 s SER 144 CO 0.00 -0.20 -0.17 -0.69 0.41 0.00 0.00 173.24 172.59 1kk4 s VAL 145 N -2.15 2.02 -0.48 3.43 1.01 -0.66 -1.39 120.40 122.19 1kk4 s VAL 145 Ca 0.39 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 1kk4 s VAL 145 Cb -0.10 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.41 1kk4 s VAL 145 CO 0.33 0.39 0.59 -0.69 0.00 0.00 0.00 175.10 175.72 1kk4 s VAL 146 N 1.27 4.91 -0.76 2.92 1.01 -0.07 0.35 120.40 130.02 1kk4 s VAL 146 Ca 0.02 -0.35 0.16 0.00 0.00 0.00 0.00 61.98 61.80 1kk4 s VAL 146 Cb -0.15 -4.23 -0.17 0.00 0.00 0.00 0.00 36.38 31.83 1kk4 s VAL 146 CO -0.11 -0.69 0.68 1.33 0.00 0.00 0.00 175.10 176.31 1kk4 n VAL 147 N 5.63 0.00 -4.22 2.92 0.24 -1.26 -1.93 118.33 119.70 1kk4 n VAL 147 Ca -0.06 -0.12 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 1kk4 n VAL 147 Cb 0.46 1.00 -0.10 0.00 -1.47 0.00 0.00 33.84 33.74 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 -2.51 1.31 0.69 7.34 -2.85 -1.26 -4.95 119.74 117.51 1kk4 s LYS 148 Ca 0.06 -1.71 -0.17 0.00 -1.00 0.00 0.00 55.97 53.16 1kk4 s LYS 148 Cb 0.12 0.25 0.02 0.00 -2.06 0.00 0.00 37.83 36.16 1kk4 s LYS 148 CO 0.66 -0.43 1.26 -0.51 0.10 0.00 0.00 175.35 176.42 1kk4 s ASP 149 N -3.21 4.36 -0.16 0.03 1.01 -1.26 -4.69 116.67 112.75 1kk4 s ASP 149 Ca 0.39 2.52 0.00 0.00 0.71 0.00 0.00 52.55 56.17 1kk4 s ASP 149 Cb 0.06 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.42 1kk4 s ASP 149 CO 0.15 -2.16 -0.11 -0.63 0.21 0.00 0.00 175.17 172.62 1kk4 s ILE 150 N -1.66 1.45 0.65 0.77 1.01 -0.49 -4.98 121.20 117.97 1kk4 s ILE 150 Ca 0.79 -0.67 -0.17 0.00 0.00 0.00 0.00 60.65 60.60 1kk4 s ILE 150 Cb -0.34 -1.45 -0.00 0.00 0.01 0.00 0.00 42.46 40.68 1kk4 s ILE 150 CO 0.42 0.34 1.22 0.00 0.00 0.00 0.00 174.94 176.92 1kk4 s ALA 151 N 1.52 2.37 0.64 9.38 0.00 -1.26 0.14 121.76 134.54 1kk4 s ALA 151 Ca 0.03 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.80 1kk4 s ALA 151 Cb -0.14 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 1kk4 s ALA 151 CO -0.09 -1.49 0.72 -2.30 0.00 0.00 0.00 175.76 172.59 1kk4 n PRO 152 N -2.06 0.57 -2.03 0.00 -0.02 -1.26 -2.78 135.00 127.42 1kk4 n PRO 152 Ca 0.14 0.23 -0.08 0.00 -2.02 0.00 0.00 63.50 61.77 1kk4 n PRO 152 Cb 0.50 -1.94 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 1kk4 n PRO 152 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1kk4 n TYR 153 N -1.99 -1.26 -3.75 6.00 4.02 0.22 -4.82 117.16 115.58 1kk4 n TYR 153 Ca 0.12 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.78 1kk4 n TYR 153 Cb 0.48 -2.08 -0.02 0.00 -0.02 0.00 0.00 39.34 37.70 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 -4.19 3.46 -0.24 -0.72 -1.94 -1.12 -0.71 119.30 113.85 1kk4 s MET 154 Ca 0.00 -0.57 -0.01 0.00 -1.71 0.00 0.00 55.69 53.39 1kk4 s MET 154 Cb 0.00 -2.82 0.02 0.00 2.01 0.00 0.00 34.83 34.05 1kk4 s MET 154 CO 0.00 0.34 -0.08 -1.17 -0.01 0.00 0.00 175.02 174.10 1kk4 s LEU 155 N -3.98 3.03 0.16 -0.03 2.96 -0.68 -1.16 118.68 118.96 1kk4 s LEU 155 Ca 0.36 -0.83 0.06 0.00 -0.22 0.00 0.00 54.13 53.50 1kk4 s LEU 155 Cb -0.09 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1kk4 s LEU 155 CO 0.31 -0.10 -0.12 0.00 -1.32 0.00 0.00 176.35 175.12 1kk4 s ALA 156 N 1.32 1.59 0.05 5.97 0.00 -0.82 0.34 121.76 130.21 1kk4 s ALA 156 Ca 0.01 -1.49 -0.28 0.00 0.00 0.00 0.00 51.96 50.19 1kk4 s ALA 156 Cb -0.16 -0.01 0.09 0.00 0.00 0.00 0.00 23.12 23.04 1kk4 s ALA 156 CO -0.06 -0.02 1.07 0.20 0.00 0.00 0.00 175.76 176.95 1kk4 s GLY 157 N -3.06 -0.33 0.00 0.00 0.00 -0.25 -1.75 107.32 101.93 1kk4 s GLY 157 Ca 0.17 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.45 1kk4 s GLY 157 CO 0.03 0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.87 1kk4 n GLY 158 N -0.41 0.96 2.56 0.20 0.00 -1.26 -1.69 105.19 105.55 1kk4 n GLY 158 Ca -0.07 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 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 3.57 0.54 1.61 2.47 -1.26 -1.19 114.94 120.67 1kk4 s ASN 159 Ca 0.00 -1.38 -0.19 0.00 0.42 0.00 0.00 52.86 51.71 1kk4 s ASN 159 Cb 0.00 -0.41 -0.06 0.00 -1.45 0.00 0.00 41.25 39.33 1kk4 s ASN 159 CO 0.00 -0.43 1.11 -2.16 -3.72 0.00 0.00 177.10 171.90 1kk4 s PRO 160 N 1.99 3.40 0.46 0.43 0.04 -1.26 -4.99 135.00 135.07 1kk4 s PRO 160 Ca 0.10 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 62.45 1kk4 s PRO 160 Cb -0.16 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1kk4 s PRO 160 CO -0.34 -0.80 1.34 0.00 0.04 0.00 0.00 177.00 177.25 1kk4 s ALA 161 N -1.84 3.12 0.03 8.56 0.00 0.15 -4.90 121.76 126.89 1kk4 s ALA 161 Ca 0.72 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.97 1kk4 s ALA 161 Cb -0.22 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1kk4 s ALA 161 CO 0.27 -1.06 -0.02 -0.80 0.00 0.00 0.00 175.76 174.14 1kk4 s ASN 162 N -0.77 0.31 -0.04 0.00 0.01 -0.68 -4.76 114.94 109.01 1kk4 s ASN 162 Ca 0.62 -0.65 -0.30 0.00 -0.71 0.00 0.00 52.86 51.82 1kk4 s ASN 162 Cb -0.40 0.14 -0.04 0.00 0.41 0.00 0.00 41.25 41.36 1kk4 s ASN 162 CO 0.50 -0.41 1.30 -1.61 -1.51 0.00 0.00 177.10 175.37 1kk4 s GLU 163 N -2.30 4.31 -0.14 -0.60 2.02 -1.26 -1.09 118.70 119.65 1kk4 s GLU 163 Ca -0.08 1.81 -0.07 0.00 0.02 0.00 0.00 54.97 56.64 1kk4 s GLU 163 Cb -0.04 -3.58 -0.25 0.00 0.10 0.00 0.00 34.13 30.36 1kk4 s GLU 163 CO -0.04 -0.52 0.30 -0.89 0.02 0.00 0.00 175.26 174.12 1kk4 n ILE 164 N 4.69 1.74 -3.64 -1.63 5.41 0.15 -4.95 119.36 121.13 1kk4 n ILE 164 Ca 0.12 -0.60 -0.02 0.00 1.00 0.00 0.00 62.75 63.25 1kk4 n ILE 164 Cb 0.45 -1.73 -0.03 0.00 -0.71 0.00 0.00 39.64 37.62 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 -2.54 0.05 0.35 0.38 2.20 -1.17 -5.03 119.74 113.98 1kk4 s LYS 165 Ca -0.24 -0.01 -0.26 0.00 -0.36 0.00 0.00 55.97 55.10 1kk4 s LYS 165 Cb 0.07 0.02 -0.09 0.00 -1.51 0.00 0.00 37.83 36.32 1kk4 s LYS 165 CO 0.74 -0.02 1.05 -0.65 -0.36 0.00 0.00 175.35 176.11 1kk4 s GLN 166 N -1.75 4.39 0.13 4.03 -0.21 -1.26 -1.69 119.66 123.30 1kk4 s GLN 166 Ca 0.11 1.58 -0.12 0.00 0.02 0.00 0.00 55.36 56.95 1kk4 s GLN 166 Cb -0.01 -2.81 -0.06 0.00 1.00 0.00 0.00 33.01 31.13 1kk4 s GLN 166 CO -0.04 0.05 1.45 0.00 -2.12 0.00 0.00 175.29 174.63 1kk4 h ARG 167 N 3.06 0.88 -4.80 2.91 3.08 -1.24 -3.47 114.38 114.80 1kk4 h ARG 167 Ca -0.47 -0.48 -0.36 0.00 0.07 0.00 0.00 59.98 58.74 1kk4 h ARG 167 Cb 1.21 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 31.14 1kk4 h ARG 167 CO 0.64 1.12 -0.58 -0.06 -1.07 0.00 0.00 179.97 180.03 1kk4 s PHE 168 N -4.35 1.48 0.33 3.04 0.40 -1.26 -5.13 117.98 112.49 1kk4 s PHE 168 Ca -0.11 -1.37 -0.29 0.00 -0.60 0.00 0.00 56.93 54.55 1kk4 s PHE 168 Cb 0.10 -0.76 -0.11 0.00 0.51 0.00 0.00 43.02 42.77 1kk4 s PHE 168 CO 0.87 -0.57 1.44 0.16 0.70 0.00 0.00 175.22 177.82 1kk4 s ASP 169 N -3.30 6.53 0.43 1.36 1.47 -1.26 -4.79 116.67 117.10 1kk4 s ASP 169 Ca 0.38 2.87 0.05 0.00 1.18 0.00 0.00 52.55 57.03 1kk4 s ASP 169 Cb 0.06 -2.65 0.28 0.00 -0.34 0.00 0.00 42.92 40.27 1kk4 s ASP 169 CO 0.16 -0.75 1.01 -0.61 0.68 0.00 0.00 175.17 175.67 1kk4 h GLN 170 N 3.62 0.00 0.01 2.11 5.75 -2.00 0.73 115.11 125.33 1kk4 h GLN 170 Ca -0.49 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1kk4 h GLN 170 Cb 1.23 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.78 1kk4 h GLN 170 CO 0.68 0.00 -0.00 0.22 -2.65 0.00 0.00 178.83 177.08 1kk4 h ASP 171 N 0.00 -0.01 -1.00 -0.69 1.82 -2.02 -3.19 116.42 111.33 1kk4 h ASP 171 Ca 0.00 -0.27 0.18 0.00 -0.39 0.00 0.00 57.03 56.56 1kk4 h ASP 171 Cb 1.36 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 41.27 1kk4 h ASP 171 CO 0.00 0.62 0.62 0.74 -1.61 0.00 0.00 179.24 179.61 1kk4 h THR 172 N -1.00 0.73 0.50 2.25 2.02 -1.21 -2.75 112.91 113.45 1kk4 h THR 172 Ca -0.00 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1kk4 h THR 172 Cb 0.28 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1kk4 h THR 172 CO 0.00 0.14 -0.25 0.40 0.37 0.00 0.00 175.52 176.18 1kk4 h ILE 173 N 0.78 0.49 -0.82 3.11 2.04 -1.62 -2.01 117.51 119.48 1kk4 h ILE 173 Ca 0.57 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.53 1kk4 h ILE 173 Cb 0.87 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 1kk4 h ILE 173 CO -0.36 0.00 0.46 0.78 0.00 0.00 0.00 178.15 179.03 1kk4 h ASN 174 N -0.69 0.66 0.46 1.72 -0.26 -1.47 0.07 115.58 116.06 1kk4 h ASN 174 Ca -0.07 0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 1kk4 h ASN 174 Cb 0.53 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1kk4 h ASN 174 CO 0.10 0.37 -0.25 1.56 -1.06 0.00 0.00 177.43 178.15 1kk4 h GLN 175 N 0.77 -0.63 -0.83 0.81 4.20 -1.45 -1.06 115.11 116.91 1kk4 h GLN 175 Ca 0.40 0.04 0.16 0.00 0.06 0.00 0.00 58.65 59.31 1kk4 h GLN 175 Cb 0.39 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 1kk4 h GLN 175 CO -0.26 -0.42 0.55 -0.07 -0.67 0.00 0.00 178.83 177.96 1kk4 h LEU 176 N -0.65 0.48 -0.98 1.46 3.38 -0.57 0.55 115.31 118.98 1kk4 h LEU 176 Ca -0.06 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1kk4 h LEU 176 Cb 0.52 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1kk4 h LEU 176 CO 0.08 0.24 -0.17 -0.07 0.09 0.00 0.00 178.44 178.61 1kk4 h LEU 177 N 0.51 0.00 0.03 1.67 3.38 -0.54 -2.64 115.31 117.72 1kk4 h LEU 177 Ca 0.42 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.27 1kk4 h LEU 177 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1kk4 h LEU 177 CO -0.16 0.17 -0.62 -0.78 0.09 0.00 0.00 178.44 177.14 1kk4 h ASP 178 N 0.00 0.11 -0.24 -0.43 1.82 0.13 -3.37 116.42 114.44 1kk4 h ASP 178 Ca -0.00 -0.85 0.04 0.00 -0.39 0.00 0.00 57.03 55.84 1kk4 h ASP 178 Cb 0.77 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.70 1kk4 h ASP 178 CO 0.02 1.26 -0.03 0.40 -1.61 0.00 0.00 179.24 179.28 1kk4 h ILE 179 N -0.83 0.79 -6.11 2.25 2.04 -0.93 -3.47 117.51 111.26 1kk4 h ILE 179 Ca -0.15 -0.01 -0.41 0.00 1.00 0.00 0.00 64.86 65.29 1kk4 h ILE 179 Cb 1.26 0.76 0.07 0.00 -0.74 0.00 0.00 36.82 38.17 1kk4 h ILE 179 CO -0.03 0.01 -0.88 0.29 0.00 0.00 0.00 178.15 177.54 1kk4 n LYS 180 N -5.19 -3.18 -0.29 2.37 5.02 -1.00 -4.86 118.16 111.03 1kk4 n LYS 180 Ca -0.02 0.57 0.19 0.00 -2.02 0.00 0.00 58.31 57.03 1kk4 n LYS 180 Cb 0.13 -4.82 0.48 0.00 -0.02 0.00 0.00 35.03 30.80 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 -1.78 0.68 0.00 2.13 5.08 -1.91 -0.14 115.95 120.00 1kk4 h TRP 181 Ca -0.63 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.36 1kk4 h TRP 181 Cb 1.36 -0.20 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 1kk4 h TRP 181 CO 0.41 0.13 0.03 -2.67 -1.28 0.00 0.00 178.44 175.06 1kk4 n TRP 182 N -4.59 0.53 1.17 0.12 2.14 -1.26 -1.05 117.44 114.50 1kk4 n TRP 182 Ca 0.22 0.28 0.12 0.00 2.07 0.00 0.00 57.50 60.19 1kk4 n TRP 182 Cb 0.74 -0.92 0.24 0.00 -0.81 0.00 0.00 31.31 30.55 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 -2.05 1.69 -4.83 -0.67 3.02 -0.07 -4.92 115.26 107.44 1kk4 n ASN 183 Ca -0.01 -1.34 -0.33 0.00 -0.03 0.00 0.00 54.58 52.87 1kk4 n ASN 183 Cb 0.05 0.21 -0.07 0.00 -0.61 0.00 0.00 39.78 39.37 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 -2.35 3.33 0.31 3.10 0.51 -0.22 -4.99 118.94 118.63 1kk4 s TRP 184 Ca 0.25 1.51 -0.30 0.00 -2.12 0.00 0.00 56.10 55.44 1kk4 s TRP 184 Cb 0.19 -2.77 -0.12 0.00 -0.81 0.00 0.00 33.47 29.97 1kk4 s TRP 184 CO 0.48 -0.06 1.53 -2.30 -0.51 0.00 0.00 176.95 176.10 1kk4 n PRO 185 N -0.57 2.59 -0.15 4.98 -0.02 -1.26 -4.69 135.00 135.89 1kk4 n PRO 185 Ca 0.06 0.92 0.24 0.00 -2.02 0.00 0.00 63.50 62.70 1kk4 n PRO 185 Cb 0.54 -2.66 0.66 0.00 -0.02 0.00 0.00 33.50 32.01 1kk4 n PRO 185 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1kk4 h ILE 186 N 3.18 0.64 -0.60 4.25 2.10 -1.95 0.30 117.51 125.43 1kk4 h ILE 186 Ca -0.48 -0.04 0.11 0.00 1.08 0.00 0.00 64.86 65.54 1kk4 h ILE 186 Cb 1.24 0.52 -0.12 0.00 -1.09 0.00 0.00 36.82 37.37 1kk4 h ILE 186 CO 0.74 0.02 -0.26 0.44 -1.08 0.00 0.00 178.15 178.01 1kk4 h ASP 187 N 0.11 -0.93 -0.25 2.19 3.32 -1.96 0.45 116.42 119.35 1kk4 h ASP 187 Ca 0.39 0.21 -0.17 0.00 0.02 0.00 0.00 57.03 57.48 1kk4 h ASP 187 Cb 1.37 0.50 -0.00 0.00 0.22 0.00 0.00 39.33 41.42 1kk4 h ASP 187 CO -0.05 -0.27 -0.50 0.40 -1.72 0.00 0.00 179.24 177.10 1kk4 h ILE 188 N -0.11 1.28 -0.13 0.35 2.04 -1.32 -3.21 117.51 116.42 1kk4 h ILE 188 Ca 0.26 -1.68 0.02 0.00 1.00 0.00 0.00 64.86 64.46 1kk4 h ILE 188 Cb 0.53 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1kk4 h ILE 188 CO -0.67 0.55 -0.01 0.40 0.00 0.00 0.00 178.15 178.41 1kk4 h ILE 189 N 0.65 0.89 -1.39 -0.67 2.04 -0.05 -2.44 117.51 116.55 1kk4 h ILE 189 Ca 0.03 -0.01 0.40 0.00 1.00 0.00 0.00 64.86 66.28 1kk4 h ILE 189 Cb 1.09 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 1kk4 h ILE 189 CO 0.11 0.00 1.19 0.78 0.00 0.00 0.00 178.15 180.23 1kk4 h ASN 190 N 0.02 0.00 1.03 1.72 2.35 -0.21 0.74 115.58 121.24 1kk4 h ASN 190 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1kk4 h ASN 190 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1kk4 h ASN 190 CO -0.11 0.00 -0.40 -0.62 -1.65 0.00 0.00 177.43 174.64 1kk4 n GLU 191 N -3.70 0.25 -0.04 0.81 1.02 -0.92 -4.15 120.64 113.91 1kk4 n GLU 191 Ca 0.31 0.12 0.03 0.00 -0.02 0.00 0.00 57.16 57.60 1kk4 n GLU 191 Cb 1.61 -1.70 0.04 0.00 -0.02 0.00 0.00 31.44 31.37 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 -2.09 1.86 -0.52 1.62 3.02 0.26 -4.78 115.26 114.62 1kk4 n ASN 192 Ca 0.04 -2.27 0.43 0.00 -0.03 0.00 0.00 54.58 52.75 1kk4 n ASN 192 Cb 0.43 -0.14 0.74 0.00 -0.61 0.00 0.00 39.78 40.19 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 0.55 0.15 0.00 2.41 2.04 -1.64 0.43 117.51 121.44 1kk4 h ILE 193 Ca 0.00 -0.02 -0.18 0.00 1.00 0.00 0.00 64.86 65.66 1kk4 h ILE 193 Cb 0.74 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1kk4 h ILE 193 CO 0.00 0.01 -0.99 0.44 0.00 0.00 0.00 178.15 177.60 1kk4 h ASP 194 N 0.05 0.00 1.70 1.72 5.19 -1.91 -2.61 116.42 120.56 1kk4 h ASP 194 Ca 0.81 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.22 1kk4 h ASP 194 Cb 2.96 0.00 0.00 0.00 0.18 0.00 0.00 39.33 42.47 1kk4 h ASP 194 CO -0.16 0.79 0.00 0.11 -3.12 0.00 0.00 179.24 176.86 1kk4 h LYS 195 N 0.00 0.00 0.04 3.56 1.57 -0.56 -2.87 116.57 118.31 1kk4 h LYS 195 Ca -0.07 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.45 1kk4 h LYS 195 Cb 1.66 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.94 1kk4 h LYS 195 CO 0.09 0.00 -1.37 0.82 -0.57 0.00 0.00 179.45 178.42 1kk4 h ILE 196 N 0.00 1.29 0.00 1.86 2.04 -1.24 0.39 117.51 121.86 1kk4 h ILE 196 Ca 0.00 -3.02 -0.13 0.00 1.00 0.00 0.00 64.86 62.71 1kk4 h ILE 196 Cb 0.85 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.62 1kk4 h ILE 196 CO 0.00 0.79 -0.62 -0.07 0.00 0.00 0.00 178.15 178.25 1kk4 h LEU 197 N 0.02 0.00 -2.98 1.44 3.38 -1.37 -3.25 115.31 112.55 1kk4 h LEU 197 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1kk4 h LEU 197 Cb 1.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1kk4 h LEU 197 CO 0.13 0.62 0.00 -0.90 0.09 0.00 0.00 178.44 178.38 1kk4 n ASP 198 N -3.52 2.78 0.00 -0.43 5.75 -1.09 -4.99 116.55 115.04 1kk4 n ASP 198 Ca -0.00 -2.25 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 1kk4 n ASP 198 Cb 0.68 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1kk4 n ASP 198 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1kk4 n ASN 199 N -0.08 -0.78 0.28 -1.12 4.13 -0.93 -4.83 115.26 111.92 1kk4 n ASN 199 Ca 0.10 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.49 1kk4 n ASN 199 Cb 0.47 -1.79 0.83 0.00 -1.54 0.00 0.00 39.78 37.75 1kk4 n ASN 199 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1kk4 h SER 200 N 0.00 0.00 -0.09 6.41 4.64 -1.55 -2.15 113.55 120.82 1kk4 h SER 200 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1kk4 h SER 200 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1kk4 h SER 200 CO 0.00 0.02 0.55 -0.29 -0.87 0.00 0.00 176.83 176.24 1kk4 h ILE 201 N 0.00 0.04 0.00 0.95 2.10 -1.29 0.68 117.51 119.98 1kk4 h ILE 201 Ca -0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 1kk4 h ILE 201 Cb 0.05 0.46 -0.00 0.00 -1.09 0.00 0.00 36.82 36.24 1kk4 h ILE 201 CO 0.00 0.00 -0.07 0.40 -1.08 0.00 0.00 178.15 177.41 1kk4 h ILE 202 N 0.00 0.23 0.00 2.19 5.03 -1.66 -2.82 117.51 120.48 1kk4 h ILE 202 Ca 0.04 -0.53 -0.05 0.00 -0.12 0.00 0.00 64.86 64.20 1kk4 h ILE 202 Cb 1.15 1.43 -0.01 0.00 -3.03 0.00 0.00 36.82 36.36 1kk4 h ILE 202 CO -0.00 0.07 -0.39 0.03 -0.68 0.00 0.00 178.15 177.17 1kk4 h ARG 203 N 0.00 0.00 -0.97 2.37 3.08 0.15 -3.38 114.38 115.62 1kk4 h ARG 203 Ca -0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 1kk4 h ARG 203 Cb 0.42 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.32 1kk4 h ARG 203 CO 0.01 0.51 -0.42 0.93 -1.07 0.00 0.00 179.97 179.93 1kk4 h GLU 204 N -1.00 -0.01 0.00 0.04 4.39 -1.53 -1.20 114.58 115.27 1kk4 h GLU 204 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1kk4 h GLU 204 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1kk4 h GLU 204 CO -0.05 -0.01 0.55 -0.39 -1.16 0.00 0.00 179.01 177.95 1kk4 h VAL 205 N -0.01 0.00 0.00 3.13 -1.51 -1.68 -3.52 116.25 112.65 1kk4 h VAL 205 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.78 1kk4 h VAL 205 Cb 0.57 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 29.97 1kk4 h VAL 205 CO -0.96 0.00 0.00 2.30 -1.23 0.00 0.00 177.57 177.68