#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr9 s ILE 2 N 0.00 2.81 1.10 3.17 -4.36 -1.26 -4.92 121.20 117.74 3kr9 s ILE 2 Ca 0.00 -1.26 -0.14 0.00 -0.26 0.00 0.00 60.65 59.00 3kr9 s ILE 2 Cb 0.00 -2.21 0.20 0.00 1.25 0.00 0.00 42.46 41.70 3kr9 s ILE 2 CO 0.00 0.28 0.73 -1.54 0.24 0.00 0.00 174.94 174.65 3kr9 n SER 3 N 1.37 -1.60 -0.26 4.36 3.41 -1.26 -4.72 113.62 114.92 3kr9 n SER 3 Ca -0.16 -0.01 -0.07 0.00 -0.26 0.00 0.00 58.87 58.37 3kr9 n SER 3 Cb 0.52 -1.22 0.05 0.00 -0.26 0.00 0.00 64.21 63.31 3kr9 n SER 3 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3kr9 h LYS 4 N -2.31 1.10 0.03 4.33 3.64 -1.99 0.19 116.57 121.56 3kr9 h LYS 4 Ca -0.55 -0.22 0.02 0.00 -1.27 0.00 0.00 60.65 58.62 3kr9 h LYS 4 Cb 1.32 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 3kr9 h LYS 4 CO 0.44 0.93 -0.47 -0.09 -2.27 0.00 0.00 179.45 177.99 3kr9 h ARG 5 N 1.05 -0.58 -0.11 1.90 2.43 -1.94 -0.02 114.38 117.12 3kr9 h ARG 5 Ca 0.24 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 3kr9 h ARG 5 Cb 0.27 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3kr9 h ARG 5 CO -0.01 -0.39 -0.35 -0.07 -1.51 0.00 0.00 179.97 177.64 3kr9 h LEU 6 N -0.61 0.21 -0.79 3.80 3.38 -1.90 -1.91 115.31 117.51 3kr9 h LEU 6 Ca 0.01 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3kr9 h LEU 6 Cb 0.64 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 3kr9 h LEU 6 CO -0.30 0.56 0.51 -0.08 0.09 0.00 0.00 178.44 179.22 3kr9 h GLU 7 N 0.18 0.97 -0.57 1.13 4.57 -0.45 0.42 114.58 120.84 3kr9 h GLU 7 Ca 0.02 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3kr9 h GLU 7 Cb 0.71 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 3kr9 h GLU 7 CO 0.05 0.64 0.24 -0.07 -1.18 0.00 0.00 179.01 178.70 3kr9 h LEU 8 N 1.00 0.77 -0.30 1.64 4.07 -0.36 -2.09 115.31 120.05 3kr9 h LEU 8 Ca 0.31 -0.16 0.05 0.00 0.08 0.00 0.00 57.88 58.16 3kr9 h LEU 8 Cb -0.03 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.47 3kr9 h LEU 8 CO -0.10 0.72 0.05 0.58 -1.08 0.00 0.00 178.44 178.61 3kr9 h VAL 9 N 0.78 0.84 -0.85 1.22 2.07 -0.98 -2.22 116.25 117.11 3kr9 h VAL 9 Ca 0.19 -0.05 0.21 0.00 0.82 0.00 0.00 66.70 67.87 3kr9 h VAL 9 Cb 0.17 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3kr9 h VAL 9 CO -0.02 0.03 0.58 0.00 0.02 0.00 0.00 177.57 178.18 3kr9 h ALA 10 N 1.23 2.38 0.00 1.67 0.00 0.16 -1.15 119.26 123.55 3kr9 h ALA 10 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kr9 h ALA 10 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kr9 h ALA 10 CO -0.20 -0.64 0.00 -1.13 0.00 0.00 0.00 179.25 177.28 3kr9 n SER 11 N -4.44 0.71 -0.48 0.00 3.41 -0.81 -1.62 113.62 110.39 3kr9 n SER 11 Ca 0.18 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.52 3kr9 n SER 11 Cb 0.74 -0.78 0.40 0.00 -0.26 0.00 0.00 64.21 64.31 3kr9 n SER 11 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3kr9 n PHE 12 N -2.21 0.00 -2.74 7.33 3.72 -0.44 -4.86 117.46 118.27 3kr9 n PHE 12 Ca 0.04 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.01 3kr9 n PHE 12 Cb 0.35 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 3kr9 n PHE 12 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3kr9 s VAL 13 N -2.16 4.43 0.35 -4.37 1.01 -0.64 -4.94 120.40 114.09 3kr9 s VAL 13 Ca 0.32 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 63.13 3kr9 s VAL 13 Cb 0.20 -4.45 -0.11 0.00 0.00 0.00 0.00 36.38 32.02 3kr9 s VAL 13 CO 0.39 -0.76 1.48 -0.44 0.00 0.00 0.00 175.10 175.77 3kr9 s SER 14 N 2.15 6.42 0.25 3.32 0.01 -1.26 -4.88 113.70 119.71 3kr9 s SER 14 Ca 0.41 2.97 -0.31 0.00 1.31 0.00 0.00 55.95 60.34 3kr9 s SER 14 Cb -0.10 -2.66 -0.13 0.00 0.21 0.00 0.00 66.02 63.34 3kr9 s SER 14 CO 0.25 -0.83 1.46 1.67 0.41 0.00 0.00 173.24 176.20 3kr9 n GLN 15 N 0.88 2.22 -0.73 12.44 -0.06 -1.26 -0.97 117.38 129.90 3kr9 n GLN 15 Ca 0.02 0.79 0.00 0.00 -2.00 0.00 0.00 57.00 55.81 3kr9 n GLN 15 Cb 0.39 -2.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.09 3kr9 n GLN 15 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3kr9 n GLY 16 N 2.18 1.33 3.71 1.69 0.00 0.29 -5.00 105.19 109.39 3kr9 n GLY 16 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3kr9 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr9 n ALA 17 N 0.58 0.67 -2.61 4.61 0.00 -0.14 -4.08 120.51 119.53 3kr9 n ALA 17 Ca 0.00 -0.13 -0.38 0.00 0.00 0.00 0.00 53.44 52.93 3kr9 n ALA 17 Cb 0.00 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.06 3kr9 n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kr9 s ILE 18 N -1.67 5.28 -0.12 0.00 1.01 -1.26 -1.16 121.20 123.28 3kr9 s ILE 18 Ca 0.79 0.30 -0.03 0.00 0.00 0.00 0.00 60.65 61.71 3kr9 s ILE 18 Cb -0.35 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 3kr9 s ILE 18 CO 0.44 0.25 0.00 -0.22 0.00 0.00 0.00 174.94 175.41 3kr9 s LEU 19 N 1.68 3.53 -0.24 2.97 2.96 -0.70 -0.99 118.68 127.89 3kr9 s LEU 19 Ca 0.10 0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 54.00 3kr9 s LEU 19 Cb -0.15 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3kr9 s LEU 19 CO 0.09 0.29 0.06 -0.22 -1.32 0.00 0.00 176.35 175.25 3kr9 s LEU 20 N -0.32 3.45 -0.34 -0.68 2.96 -0.13 -0.31 118.68 123.31 3kr9 s LEU 20 Ca 0.07 -0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 53.73 3kr9 s LEU 20 Cb -0.12 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.69 3kr9 s LEU 20 CO 0.02 -0.00 0.12 -0.62 -1.32 0.00 0.00 176.35 174.55 3kr9 s ASP 21 N 1.41 5.35 -0.17 3.68 2.15 -0.21 -1.53 116.67 127.35 3kr9 s ASP 21 Ca 0.05 -1.07 -0.26 0.00 0.43 0.00 0.00 52.55 51.70 3kr9 s ASP 21 Cb -0.15 -1.89 -0.01 0.00 -0.30 0.00 0.00 42.92 40.57 3kr9 s ASP 21 CO 0.03 -0.32 0.88 -0.69 -0.17 0.00 0.00 175.17 174.91 3kr9 s VAL 22 N 1.44 4.84 -0.87 1.11 1.01 -0.60 -1.59 120.40 125.75 3kr9 s VAL 22 Ca -0.01 1.74 -0.06 0.00 0.00 0.00 0.00 61.98 63.66 3kr9 s VAL 22 Cb -0.19 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.01 3kr9 s VAL 22 CO 0.03 -0.00 0.76 0.61 0.00 0.00 0.00 175.10 176.50 3kr9 n GLY 23 N 3.39 -0.00 3.77 4.51 0.00 0.43 -4.53 105.19 112.76 3kr9 n GLY 23 Ca 0.06 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3kr9 n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kr9 s SER 24 N -3.22 6.32 -0.89 1.61 0.15 -0.96 -4.89 113.70 111.83 3kr9 s SER 24 Ca 0.37 3.05 -0.21 0.00 0.70 0.00 0.00 55.95 59.85 3kr9 s SER 24 Cb -0.16 -2.66 0.09 0.00 -1.71 0.00 0.00 66.02 61.58 3kr9 s SER 24 CO 0.47 -0.91 1.20 -0.62 1.20 0.00 0.00 173.24 174.57 3kr9 s ASP 25 N 0.09 6.46 -0.48 5.45 2.15 -1.26 -4.05 116.67 125.02 3kr9 s ASP 25 Ca 0.57 -1.54 0.00 0.00 0.43 0.00 0.00 52.55 52.00 3kr9 s ASP 25 Cb -0.47 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 39.68 3kr9 s ASP 25 CO 0.59 -1.33 0.00 1.41 -0.17 0.00 0.00 175.17 175.67 3kr9 n HIS 26 N 7.67 0.00 -1.89 -5.34 8.25 -1.26 -2.23 115.22 120.43 3kr9 n HIS 26 Ca 0.19 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.45 3kr9 n HIS 26 Cb 0.49 -1.59 -0.06 0.00 1.12 0.00 0.00 29.99 29.94 3kr9 n HIS 26 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kr9 n ALA 27 N 1.08 -0.42 -0.02 -1.41 0.00 -1.26 -4.47 120.51 114.02 3kr9 n ALA 27 Ca -0.05 0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 3kr9 n ALA 27 Cb 0.34 -2.11 0.05 0.00 0.00 0.00 0.00 19.45 17.72 3kr9 n ALA 27 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3kr9 h TYR 28 N 0.00 0.78 0.61 0.00 0.05 -1.81 -1.36 116.97 115.25 3kr9 h TYR 28 Ca -0.45 -0.26 -0.03 0.00 0.05 0.00 0.00 58.73 58.03 3kr9 h TYR 28 Cb 1.36 -0.15 0.01 0.00 1.01 0.00 0.00 36.73 38.96 3kr9 h TYR 28 CO 0.58 1.01 -0.29 1.25 -1.05 0.00 0.00 178.16 179.65 3kr9 h LEU 29 N 0.49 -0.70 -0.85 3.88 5.85 -1.91 0.13 115.31 122.21 3kr9 h LEU 29 Ca 0.02 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3kr9 h LEU 29 Cb 1.06 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 3kr9 h LEU 29 CO 0.10 -0.38 0.53 1.55 -0.34 0.00 0.00 178.44 179.89 3kr9 h PRO 30 N -1.00 0.95 0.00 5.25 0.13 -1.97 -0.37 132.00 135.00 3kr9 h PRO 30 Ca -0.08 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.01 3kr9 h PRO 30 Cb 0.68 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 31.56 3kr9 h PRO 30 CO 0.14 0.63 -0.18 0.82 -0.23 0.00 0.00 178.00 179.18 3kr9 h ILE 31 N 0.98 0.58 -0.35 -3.56 2.04 -1.15 -0.71 117.51 115.33 3kr9 h ILE 31 Ca 0.36 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.29 3kr9 h ILE 31 Cb 0.13 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 3kr9 h ILE 31 CO -0.16 0.00 -0.11 -0.08 0.00 0.00 0.00 178.15 177.80 3kr9 h GLU 32 N -0.29 -0.03 -0.61 2.37 4.57 -0.74 -0.19 114.58 119.66 3kr9 h GLU 32 Ca 0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 3kr9 h GLU 32 Cb 0.36 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 3kr9 h GLU 32 CO -0.17 -0.02 0.33 -0.07 -1.18 0.00 0.00 179.01 177.90 3kr9 h LEU 33 N -0.03 0.75 0.05 1.64 3.38 -0.80 -1.81 115.31 118.48 3kr9 h LEU 33 Ca 0.17 -0.06 -0.28 0.00 0.09 0.00 0.00 57.88 57.80 3kr9 h LEU 33 Cb 0.30 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.88 3kr9 h LEU 33 CO -0.38 0.61 -1.16 0.58 0.09 0.00 0.00 178.44 178.17 3kr9 h VAL 34 N 0.84 1.32 -0.48 1.22 2.07 -0.80 -0.76 116.25 119.66 3kr9 h VAL 34 Ca 0.22 -2.47 -0.04 0.00 0.82 0.00 0.00 66.70 65.22 3kr9 h VAL 34 Cb 0.03 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 3kr9 h VAL 34 CO -0.03 0.75 0.13 -0.33 0.02 0.00 0.00 177.57 178.10 3kr9 h GLU 35 N 0.28 0.71 -0.15 1.57 5.08 -0.79 -2.16 114.58 119.12 3kr9 h GLU 35 Ca -0.16 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3kr9 h GLU 35 Cb 1.83 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.96 3kr9 h GLU 35 CO 0.22 0.64 0.00 2.89 -1.00 0.00 0.00 179.01 181.76 3kr9 n ARG 36 N -4.31 1.64 -0.85 2.33 1.85 -0.70 -4.89 116.66 111.73 3kr9 n ARG 36 Ca 0.03 -0.96 0.00 0.00 -1.00 0.00 0.00 57.85 55.92 3kr9 n ARG 36 Cb 0.20 -1.38 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 3kr9 n ARG 36 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kr9 n GLY 37 N 1.08 0.48 0.07 2.89 0.00 -0.81 -4.94 105.19 103.97 3kr9 n GLY 37 Ca 0.16 -0.83 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 3kr9 n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kr9 h GLN 38 N 0.17 0.00 -5.00 1.61 4.15 -1.35 -3.45 115.11 111.24 3kr9 h GLN 38 Ca 0.00 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.09 3kr9 h GLN 38 Cb 0.00 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 27.55 3kr9 h GLN 38 CO 0.00 0.72 -0.68 0.96 -1.93 0.00 0.00 178.83 177.90 3kr9 s ILE 39 N -2.68 1.00 0.09 2.39 -4.36 -1.16 -0.55 121.20 115.94 3kr9 s ILE 39 Ca -0.02 -2.03 0.07 0.00 -0.26 0.00 0.00 60.65 58.41 3kr9 s ILE 39 Cb 0.09 -2.08 -0.22 0.00 1.25 0.00 0.00 42.46 41.50 3kr9 s ILE 39 CO 0.82 -0.54 1.18 0.50 0.24 0.00 0.00 174.94 177.14 3kr9 h LYS 40 N 2.66 0.03 0.00 0.37 1.63 -1.29 -3.43 116.57 116.54 3kr9 h LYS 40 Ca -0.37 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 3kr9 h LYS 40 Cb 1.20 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 3kr9 h LYS 40 CO 0.64 0.96 0.00 -1.13 -3.45 0.00 0.00 179.45 176.46 3kr9 n SER 41 N -3.33 0.00 -3.65 4.20 3.41 -1.25 -4.94 113.62 108.07 3kr9 n SER 41 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.48 3kr9 n SER 41 Cb 0.96 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.87 3kr9 n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kr9 s ALA 42 N -2.00 -1.01 -0.08 7.33 0.00 -0.07 -1.72 121.76 124.21 3kr9 s ALA 42 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.94 3kr9 s ALA 42 Cb 0.00 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.91 3kr9 s ALA 42 CO 0.00 -0.73 -0.20 0.42 0.00 0.00 0.00 175.76 175.25 3kr9 s ILE 43 N -3.83 1.73 -0.32 0.00 1.01 0.58 -1.71 121.20 118.66 3kr9 s ILE 43 Ca 0.05 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.79 3kr9 s ILE 43 Cb 0.00 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.99 3kr9 s ILE 43 CO -0.08 0.49 0.11 0.00 0.00 0.00 0.00 174.94 175.46 3kr9 s ALA 44 N 0.33 3.10 0.05 9.38 0.00 0.32 -1.04 121.76 133.90 3kr9 s ALA 44 Ca -0.14 -1.58 -0.18 0.00 0.00 0.00 0.00 51.96 50.06 3kr9 s ALA 44 Cb -0.16 -2.27 -0.06 0.00 0.00 0.00 0.00 23.12 20.63 3kr9 s ALA 44 CO 0.06 -1.12 0.52 0.20 0.00 0.00 0.00 175.76 175.42 3kr9 s GLY 45 N 1.48 2.61 -0.01 0.00 0.00 -0.62 -1.89 107.32 108.89 3kr9 s GLY 45 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.69 3kr9 s GLY 45 CO 0.03 0.39 0.02 -0.54 0.00 0.00 0.00 173.10 173.00 3kr9 s GLU 46 N -1.02 0.02 0.01 2.90 0.41 -0.14 -0.42 118.70 120.45 3kr9 s GLU 46 Ca 0.27 0.11 0.19 0.00 -0.41 0.00 0.00 54.97 55.14 3kr9 s GLU 46 Cb -0.19 -0.20 -0.19 0.00 -1.78 0.00 0.00 34.13 31.78 3kr9 s GLU 46 CO 0.17 -0.10 0.63 1.55 -0.49 0.00 0.00 175.26 177.02 3kr9 n VAL 47 N 3.80 0.83 -4.10 2.63 3.14 -1.22 -1.12 118.33 122.29 3kr9 n VAL 47 Ca -0.22 -0.65 -0.29 0.00 -2.96 0.00 0.00 64.34 60.21 3kr9 n VAL 47 Cb 0.53 -0.44 -0.07 0.00 -1.06 0.00 0.00 33.84 32.81 3kr9 n VAL 47 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3kr9 s VAL 48 N -3.07 4.21 0.12 1.55 0.11 -1.26 -4.70 120.40 117.37 3kr9 s VAL 48 Ca -0.05 -0.97 -0.18 0.00 -2.93 0.00 0.00 61.98 57.84 3kr9 s VAL 48 Cb 0.10 -3.04 -0.04 0.00 -1.53 0.00 0.00 36.38 31.86 3kr9 s VAL 48 CO 0.84 0.07 1.72 -0.08 -3.33 0.00 0.00 175.10 174.32 3kr9 h GLU 49 N 3.19 0.41 0.09 1.54 4.57 -1.98 0.29 114.58 122.69 3kr9 h GLU 49 Ca -0.47 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3kr9 h GLU 49 Cb 1.17 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 3kr9 h GLU 49 CO 0.62 0.36 -0.14 0.78 -1.18 0.00 0.00 179.01 179.44 3kr9 h GLY 50 N 0.35 -1.02 0.26 1.92 0.00 -1.99 0.28 103.07 102.88 3kr9 h GLY 50 Ca 0.10 0.46 0.12 0.00 0.00 0.00 0.00 47.33 48.01 3kr9 h GLY 50 CO -0.02 -0.35 0.26 -2.55 0.00 0.00 0.00 176.54 173.88 3kr9 h PRO 51 N -0.25 0.41 -0.42 4.80 0.11 -1.97 -0.97 132.00 133.71 3kr9 h PRO 51 Ca -0.01 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.15 3kr9 h PRO 51 Cb 0.23 -0.09 -0.09 0.00 0.11 0.00 0.00 31.00 31.15 3kr9 h PRO 51 CO -0.05 0.27 -0.36 -0.92 -0.21 0.00 0.00 178.00 176.74 3kr9 h TYR 52 N 0.42 -1.00 -0.65 0.65 3.20 -0.86 -0.79 116.97 117.93 3kr9 h TYR 52 Ca 0.36 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 62.24 3kr9 h TYR 52 Cb 0.49 0.50 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 3kr9 h TYR 52 CO -0.17 -0.40 0.20 1.96 -1.64 0.00 0.00 178.16 178.11 3kr9 h GLN 53 N -0.27 1.00 -0.65 1.82 1.08 0.05 -1.10 115.11 117.04 3kr9 h GLN 53 Ca 0.17 -0.20 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 3kr9 h GLN 53 Cb 0.55 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.80 3kr9 h GLN 53 CO -0.56 0.85 0.25 1.03 -0.95 0.00 0.00 178.83 179.46 3kr9 h SER 54 N 0.96 0.90 -0.51 1.46 0.87 -1.01 -1.07 113.55 115.16 3kr9 h SER 54 Ca 0.21 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 3kr9 h SER 54 Cb 0.27 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3kr9 h SER 54 CO -0.01 0.83 0.10 0.00 -0.53 0.00 0.00 176.83 177.22 3kr9 h ALA 55 N 1.10 0.67 -0.38 6.23 0.00 -0.92 -0.74 119.26 125.23 3kr9 h ALA 55 Ca 0.22 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kr9 h ALA 55 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3kr9 h ALA 55 CO -0.02 0.39 0.18 0.28 0.00 0.00 0.00 179.25 180.08 3kr9 h VAL 56 N 0.71 0.95 -0.31 0.00 2.07 -0.94 -2.08 116.25 116.65 3kr9 h VAL 56 Ca 0.16 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 3kr9 h VAL 56 Cb 0.37 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3kr9 h VAL 56 CO 0.01 0.07 -0.27 0.11 0.02 0.00 0.00 177.57 177.51 3kr9 h LYS 57 N 0.36 0.74 -0.94 1.57 1.79 -0.82 -1.13 116.57 118.15 3kr9 h LYS 57 Ca 0.17 -0.37 0.04 0.00 -2.18 0.00 0.00 60.65 58.30 3kr9 h LYS 57 Cb 0.09 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.69 3kr9 h LYS 57 CO -0.13 0.99 0.61 -0.91 -1.08 0.00 0.00 179.45 178.93 3kr9 h ASN 58 N 0.50 1.01 -0.17 0.86 4.21 -1.11 0.24 115.58 121.11 3kr9 h ASN 58 Ca 0.06 -0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.50 3kr9 h ASN 58 Cb 0.83 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.80 3kr9 h ASN 58 CO 0.07 0.68 -0.13 0.58 -1.29 0.00 0.00 177.43 177.35 3kr9 h VAL 59 N 1.16 1.33 -0.54 2.81 2.07 -1.01 -1.86 116.25 120.22 3kr9 h VAL 59 Ca 0.38 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.71 3kr9 h VAL 59 Cb 0.04 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3kr9 h VAL 59 CO -0.12 0.37 0.27 -0.33 0.02 0.00 0.00 177.57 177.78 3kr9 h GLU 60 N 0.03 0.50 -0.73 1.57 5.08 -1.06 -1.94 114.58 118.03 3kr9 h GLU 60 Ca 0.03 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3kr9 h GLU 60 Cb 0.64 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 3kr9 h GLU 60 CO 0.03 0.33 0.48 0.00 -1.00 0.00 0.00 179.01 178.85 3kr9 h ALA 61 N 1.30 1.65 -0.01 3.43 0.00 -0.36 -0.87 119.26 124.40 3kr9 h ALA 61 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kr9 h ALA 61 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kr9 h ALA 61 CO -0.18 0.25 0.00 0.72 0.00 0.00 0.00 179.25 180.04 3kr9 n HIS 62 N -4.47 0.00 -2.59 0.00 8.25 -0.71 -4.95 115.22 110.76 3kr9 n HIS 62 Ca 0.10 -0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.42 3kr9 n HIS 62 Cb 0.19 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.31 3kr9 n HIS 62 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kr9 n GLY 63 N 1.07 -0.09 0.36 -1.41 0.00 -0.33 -4.94 105.19 99.85 3kr9 n GLY 63 Ca 0.21 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.06 3kr9 n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kr9 n LEU 64 N -2.38 2.70 0.22 0.99 4.77 -0.78 -4.67 117.00 117.85 3kr9 n LEU 64 Ca -0.10 -3.36 0.15 0.00 -0.03 0.00 0.00 56.01 52.68 3kr9 n LEU 64 Cb 0.59 -0.48 0.81 0.00 -2.33 0.00 0.00 43.42 42.01 3kr9 n LEU 64 CO 0.26 0.94 1.13 0.11 -1.33 0.00 0.00 177.39 178.50 3kr9 h LYS 65 N 0.51 0.00 0.00 3.23 1.57 -1.80 0.18 116.57 120.26 3kr9 h LYS 65 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3kr9 h LYS 65 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3kr9 h LYS 65 CO 0.04 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.31 3kr9 n GLU 66 N -3.98 0.12 0.00 3.15 -0.58 -1.26 -4.10 120.64 113.99 3kr9 n GLU 66 Ca 0.00 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 3kr9 n GLU 66 Cb 0.25 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 3kr9 n GLU 66 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3kr9 n LYS 67 N -1.87 1.42 -3.86 3.49 5.02 0.16 -4.97 118.16 117.55 3kr9 n LYS 67 Ca 0.06 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.08 3kr9 n LYS 67 Cb 0.37 -0.88 -0.17 0.00 -0.02 0.00 0.00 35.03 34.32 3kr9 n LYS 67 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kr9 s ILE 68 N -1.72 0.95 0.10 -0.18 1.01 0.39 -0.89 121.20 120.86 3kr9 s ILE 68 Ca 0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 3kr9 s ILE 68 Cb 0.00 -1.15 -0.07 0.00 0.01 0.00 0.00 42.46 41.26 3kr9 s ILE 68 CO 0.00 0.13 0.52 -1.10 0.00 0.00 0.00 174.94 174.48 3kr9 s GLN 69 N 1.71 4.01 -0.14 2.79 -0.21 -0.69 -4.53 119.66 122.58 3kr9 s GLN 69 Ca 0.01 0.51 0.01 0.00 0.02 0.00 0.00 55.36 55.92 3kr9 s GLN 69 Cb -0.15 -3.07 0.00 0.00 1.00 0.00 0.00 33.01 30.79 3kr9 s GLN 69 CO -0.07 0.57 -0.18 0.08 -2.12 0.00 0.00 175.29 173.56 3kr9 s VAL 70 N -1.30 2.42 -0.01 1.09 1.01 -1.26 -0.52 120.40 121.83 3kr9 s VAL 70 Ca 0.33 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.49 3kr9 s VAL 70 Cb -0.16 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 3kr9 s VAL 70 CO 0.18 0.53 -0.15 -0.13 0.00 0.00 0.00 175.10 175.53 3kr9 s ARG 71 N 0.74 1.24 -0.45 2.72 0.52 -0.80 -4.98 118.95 117.95 3kr9 s ARG 71 Ca -0.08 -0.54 -0.19 0.00 -0.52 0.00 0.00 55.73 54.40 3kr9 s ARG 71 Cb -0.16 -1.20 0.03 0.00 0.52 0.00 0.00 34.95 34.14 3kr9 s ARG 71 CO 0.01 0.32 0.57 -1.17 0.02 0.00 0.00 175.30 175.05 3kr9 s LEU 72 N -0.34 4.73 -0.24 2.53 2.96 -1.26 -0.97 118.68 126.09 3kr9 s LEU 72 Ca 0.06 -0.58 -0.32 0.00 -0.22 0.00 0.00 54.13 53.07 3kr9 s LEU 72 Cb -0.06 -2.55 0.17 0.00 0.50 0.00 0.00 46.19 44.25 3kr9 s LEU 72 CO -0.01 -0.73 1.27 0.00 -1.32 0.00 0.00 176.35 175.56 3kr9 s ALA 73 N 2.54 -2.09 -0.18 5.97 0.00 -0.27 -4.96 121.76 122.78 3kr9 s ALA 73 Ca 0.17 1.78 -0.21 0.00 0.00 0.00 0.00 51.96 53.70 3kr9 s ALA 73 Cb -0.16 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 3kr9 s ALA 73 CO 0.16 -0.36 0.61 1.21 0.00 0.00 0.00 175.76 177.37 3kr9 s ASN 74 N -1.40 6.70 1.36 0.00 2.47 -1.26 -3.40 114.94 119.41 3kr9 s ASN 74 Ca 0.07 0.85 0.00 0.00 0.42 0.00 0.00 52.86 54.21 3kr9 s ASN 74 Cb -0.01 -2.34 0.00 0.00 -1.45 0.00 0.00 41.25 37.45 3kr9 s ASN 74 CO -0.05 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 173.72 3kr9 n GLY 75 N 3.68 3.44 0.00 1.21 0.00 -1.26 -1.66 105.19 110.59 3kr9 n GLY 75 Ca -0.02 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.16 3kr9 n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kr9 n LEU 76 N 0.00 0.00 0.21 0.99 4.77 -1.26 -2.65 117.00 119.06 3kr9 n LEU 76 Ca 0.00 0.41 0.11 0.00 -0.03 0.00 0.00 56.01 56.50 3kr9 n LEU 76 Cb 0.00 -0.41 0.58 0.00 -2.33 0.00 0.00 43.42 41.26 3kr9 n LEU 76 CO 0.00 -0.09 0.90 0.00 -1.33 0.00 0.00 177.39 176.87 3kr9 h ALA 77 N 2.93 1.14 0.00 -1.18 0.00 -1.67 -2.64 119.26 117.84 3kr9 h ALA 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kr9 h ALA 77 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kr9 h ALA 77 CO 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.11 3kr9 n ALA 78 N -1.73 1.72 -2.57 0.00 0.00 -1.08 -4.84 120.51 112.00 3kr9 n ALA 78 Ca -0.01 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 3kr9 n ALA 78 Cb 0.22 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.35 3kr9 n ALA 78 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3kr9 s PHE 79 N -2.89 0.81 0.08 0.00 -0.00 -1.00 -4.95 117.98 110.04 3kr9 s PHE 79 Ca 0.09 -1.10 -0.03 0.00 -0.00 0.00 0.00 56.93 55.89 3kr9 s PHE 79 Cb 0.10 -0.26 -0.03 0.00 -0.00 0.00 0.00 43.02 42.83 3kr9 s PHE 79 CO 0.26 -0.76 0.05 -1.21 -0.00 0.00 0.00 175.22 173.56 3kr9 s GLU 80 N -4.09 0.77 0.38 1.99 0.41 -1.26 -5.04 118.70 111.86 3kr9 s GLU 80 Ca 0.31 -1.21 0.12 0.00 -0.41 0.00 0.00 54.97 53.77 3kr9 s GLU 80 Cb 0.04 0.26 0.92 0.00 -1.78 0.00 0.00 34.13 33.57 3kr9 s GLU 80 CO 0.09 -0.20 1.87 0.93 -0.49 0.00 0.00 175.26 177.47 3kr9 h GLU 81 N 2.97 0.56 0.00 1.61 4.39 -2.00 0.11 114.58 122.21 3kr9 h GLU 81 Ca -0.34 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 3kr9 h GLU 81 Cb 1.17 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3kr9 h GLU 81 CO 0.61 0.37 -0.06 0.00 -1.16 0.00 0.00 179.01 178.77 3kr9 h THR 82 N 0.57 0.23 0.00 1.13 1.03 -2.02 -2.16 112.91 111.70 3kr9 h THR 82 Ca 0.44 -0.45 0.00 0.00 -0.01 0.00 0.00 66.41 66.39 3kr9 h THR 82 Cb 0.86 1.36 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 3kr9 h THR 82 CO -0.19 0.06 0.00 0.44 -0.01 0.00 0.00 175.52 175.82 3kr9 h ASP 83 N 0.00 0.00 -3.41 0.00 3.32 -1.19 -3.46 116.42 111.68 3kr9 h ASP 83 Ca -0.00 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.64 3kr9 h ASP 83 Cb 0.35 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.91 3kr9 h ASP 83 CO 0.01 0.00 -0.55 0.00 -1.72 0.00 0.00 179.24 176.98 3kr9 n GLN 84 N -2.81 -2.69 -1.74 3.56 1.13 -0.81 -4.94 117.38 109.07 3kr9 n GLN 84 Ca 0.01 0.96 -0.42 0.00 -1.94 0.00 0.00 57.00 55.62 3kr9 n GLN 84 Cb 0.27 -5.67 -0.03 0.00 0.11 0.00 0.00 30.24 24.93 3kr9 n GLN 84 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3kr9 s VAL 85 N -3.07 2.02 -0.05 5.09 1.01 -1.26 -4.65 120.40 119.48 3kr9 s VAL 85 Ca 0.10 0.02 0.12 0.00 0.00 0.00 0.00 61.98 62.21 3kr9 s VAL 85 Cb -0.04 -3.01 -0.18 0.00 0.00 0.00 0.00 36.38 33.15 3kr9 s VAL 85 CO 0.12 0.00 0.27 -1.54 0.00 0.00 0.00 175.10 173.96 3kr9 n SER 86 N 3.48 2.19 -3.90 3.32 3.41 -0.16 -4.40 113.62 117.56 3kr9 n SER 86 Ca 0.14 -0.05 -0.13 0.00 -0.26 0.00 0.00 58.87 58.57 3kr9 n SER 86 Cb 0.36 1.51 -0.14 0.00 -0.26 0.00 0.00 64.21 65.67 3kr9 n SER 86 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kr9 s VAL 87 N -2.78 0.14 -0.05 -3.33 1.01 -1.04 -0.81 120.40 113.53 3kr9 s VAL 87 Ca -0.04 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.88 3kr9 s VAL 87 Cb 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.34 3kr9 s VAL 87 CO 0.49 0.03 -0.11 -0.63 0.00 0.00 0.00 175.10 174.89 3kr9 s ILE 88 N -0.05 1.02 -0.05 2.22 1.01 -0.66 -0.96 121.20 123.72 3kr9 s ILE 88 Ca 0.01 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3kr9 s ILE 88 Cb -0.01 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 3kr9 s ILE 88 CO -0.00 0.32 -0.06 0.42 0.00 0.00 0.00 174.94 175.62 3kr9 s THR 89 N 0.57 3.73 -0.19 2.92 -4.23 -0.58 0.10 115.64 117.94 3kr9 s THR 89 Ca -0.11 -0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 59.82 3kr9 s THR 89 Cb -0.14 -2.55 0.08 0.00 1.34 0.00 0.00 72.50 71.24 3kr9 s THR 89 CO 0.03 0.56 0.18 -0.63 -0.54 0.00 0.00 174.62 174.21 3kr9 s ILE 90 N -0.86 -0.24 0.05 2.99 1.01 -0.64 -1.55 121.20 121.96 3kr9 s ILE 90 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.66 3kr9 s ILE 90 Cb -0.11 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 3kr9 s ILE 90 CO 0.03 -0.24 -0.08 0.00 0.00 0.00 0.00 174.94 174.65 3kr9 s ALA 91 N 2.26 0.65 0.00 9.38 0.00 -1.26 -1.21 121.76 131.58 3kr9 s ALA 91 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.16 3kr9 s ALA 91 Cb -0.16 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3kr9 s ALA 91 CO -0.12 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.01 3kr9 n GLY 92 N 1.24 0.45 3.19 0.00 0.00 -0.96 -4.96 105.19 104.15 3kr9 n GLY 92 Ca -0.21 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 3kr9 n GLY 92 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kr9 s MET 93 N -3.01 0.88 0.53 1.61 1.00 -1.25 -4.91 119.30 114.15 3kr9 s MET 93 Ca 0.00 -1.18 -0.22 0.00 0.00 0.00 0.00 55.69 54.29 3kr9 s MET 93 Cb 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 34.83 34.19 3kr9 s MET 93 CO 0.00 0.09 1.38 0.41 0.00 0.00 0.00 175.02 176.90 3kr9 n GLY 94 N 0.53 0.83 0.27 -0.03 0.00 -1.26 0.30 105.19 105.84 3kr9 n GLY 94 Ca -0.16 0.05 0.05 0.00 0.00 0.00 0.00 46.02 45.97 3kr9 n GLY 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kr9 h GLY 95 N 1.59 0.25 2.00 -0.02 0.00 -1.32 -1.23 103.07 104.34 3kr9 h GLY 95 Ca -0.51 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 3kr9 h GLY 95 CO 0.58 0.10 -0.52 3.21 0.00 0.00 0.00 176.54 179.91 3kr9 h ARG 96 N 0.24 0.00 -0.05 4.80 3.08 -1.80 -1.53 114.38 119.11 3kr9 h ARG 96 Ca 0.06 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 3kr9 h ARG 96 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3kr9 h ARG 96 CO -0.01 0.52 -0.65 1.25 -1.07 0.00 0.00 179.97 180.02 3kr9 h LEU 97 N 0.00 0.25 -0.34 3.04 5.85 -1.62 -0.46 115.31 122.04 3kr9 h LEU 97 Ca -0.01 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 3kr9 h LEU 97 Cb 1.23 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3kr9 h LEU 97 CO 0.07 0.83 0.08 0.40 -0.34 0.00 0.00 178.44 179.48 3kr9 h ILE 98 N 0.16 1.22 -0.80 4.05 2.04 -1.01 -1.68 117.51 121.50 3kr9 h ILE 98 Ca -0.01 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.14 3kr9 h ILE 98 Cb 1.17 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 3kr9 h ILE 98 CO 0.10 0.25 0.51 0.00 0.00 0.00 0.00 178.15 179.01 3kr9 h ALA 99 N 0.92 1.07 -0.48 1.87 0.00 -1.14 -0.90 119.26 120.60 3kr9 h ALA 99 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3kr9 h ALA 99 Cb 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3kr9 h ALA 99 CO 0.00 0.30 0.22 -0.09 0.00 0.00 0.00 179.25 179.68 3kr9 h ARG 100 N 0.97 0.70 -0.69 0.00 2.43 -0.89 0.12 114.38 117.02 3kr9 h ARG 100 Ca 0.33 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3kr9 h ARG 100 Cb 0.06 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3kr9 h ARG 100 CO -0.13 0.60 0.31 0.82 -1.51 0.00 0.00 179.97 180.06 3kr9 h ILE 101 N 0.63 1.23 -0.46 1.20 2.04 -0.88 -1.60 117.51 119.67 3kr9 h ILE 101 Ca 0.16 -0.66 -0.14 0.00 1.00 0.00 0.00 64.86 65.22 3kr9 h ILE 101 Cb 0.14 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3kr9 h ILE 101 CO -0.02 0.27 -0.24 -0.07 0.00 0.00 0.00 178.15 178.09 3kr9 h LEU 102 N 0.98 1.00 0.10 1.44 3.38 -0.78 -2.88 115.31 118.56 3kr9 h LEU 102 Ca 0.24 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3kr9 h LEU 102 Cb 0.13 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3kr9 h LEU 102 CO -0.03 1.19 -0.05 -0.08 0.09 0.00 0.00 178.44 179.57 3kr9 h GLU 103 N 0.81 -0.12 -0.23 1.13 4.57 -0.41 -1.52 114.58 118.81 3kr9 h GLU 103 Ca 0.10 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 3kr9 h GLU 103 Cb 0.83 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 3kr9 h GLU 103 CO 0.07 0.12 0.16 0.93 -1.18 0.00 0.00 179.01 179.11 3kr9 h GLU 104 N -0.35 0.00 -0.46 1.92 5.08 -1.35 -2.18 114.58 117.24 3kr9 h GLU 104 Ca -0.01 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 3kr9 h GLU 104 Cb 0.30 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.45 3kr9 h GLU 104 CO 0.02 0.00 0.09 0.41 -1.00 0.00 0.00 179.01 178.53 3kr9 n GLY 105 N -1.58 4.34 0.36 -3.84 0.00 -1.06 -4.75 105.19 98.65 3kr9 n GLY 105 Ca 0.02 -1.11 0.09 0.00 0.00 0.00 0.00 46.02 45.02 3kr9 n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kr9 h LEU 106 N 1.60 0.63 -0.28 0.99 5.85 -0.60 -0.90 115.31 122.60 3kr9 h LEU 106 Ca 0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3kr9 h LEU 106 Cb 1.84 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.75 3kr9 h LEU 106 CO 0.47 0.38 0.00 0.61 -0.34 0.00 0.00 178.44 179.56 3kr9 n GLY 107 N -1.45 -0.65 0.48 3.75 0.00 -1.26 -2.69 105.19 103.37 3kr9 n GLY 107 Ca 0.13 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.25 3kr9 n GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kr9 n LYS 108 N -1.66 1.43 0.07 1.61 5.02 -0.34 -4.61 118.16 119.68 3kr9 n LYS 108 Ca 0.00 -1.11 0.12 0.00 -2.02 0.00 0.00 58.31 55.30 3kr9 n LYS 108 Cb 0.03 -1.26 0.17 0.00 -0.02 0.00 0.00 35.03 33.96 3kr9 n LYS 108 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kr9 h LEU 109 N 2.37 0.00 -1.47 -0.35 3.38 -1.63 -3.37 115.31 114.23 3kr9 h LEU 109 Ca 0.00 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.87 3kr9 h LEU 109 Cb 0.57 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3kr9 h LEU 109 CO 0.00 0.09 0.45 0.00 0.09 0.00 0.00 178.44 179.07 3kr9 h ALA 110 N 2.45 1.82 -0.57 1.53 0.00 -1.82 -1.60 119.26 121.08 3kr9 h ALA 110 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kr9 h ALA 110 Cb 0.77 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kr9 h ALA 110 CO 0.00 0.05 0.00 -1.71 0.00 0.00 0.00 179.25 177.59 3kr9 n ASN 111 N -4.48 3.70 -4.74 0.00 5.15 -1.26 -4.84 115.26 108.79 3kr9 n ASN 111 Ca 0.11 -2.21 -0.37 0.00 -0.60 0.00 0.00 54.58 51.50 3kr9 n ASN 111 Cb 0.29 -0.47 -0.06 0.00 -0.53 0.00 0.00 39.78 39.00 3kr9 n ASN 111 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kr9 s VAL 112 N -1.53 5.22 0.09 3.44 1.01 -0.60 -4.75 120.40 123.28 3kr9 s VAL 112 Ca 0.42 0.75 -0.13 0.00 0.00 0.00 0.00 61.98 63.02 3kr9 s VAL 112 Cb 0.25 -3.72 -0.18 0.00 0.00 0.00 0.00 36.38 32.73 3kr9 s VAL 112 CO 0.24 0.39 1.27 -0.33 0.00 0.00 0.00 175.10 176.67 3kr9 h GLU 113 N 6.39 0.76 -2.98 2.72 5.08 -1.24 -3.45 114.58 121.86 3kr9 h GLU 113 Ca -0.43 -0.68 -0.15 0.00 -1.00 0.00 0.00 59.36 57.10 3kr9 h GLU 113 Cb 1.18 0.16 -0.25 0.00 0.50 0.00 0.00 28.75 30.34 3kr9 h GLU 113 CO 0.73 1.28 -0.35 0.50 -1.00 0.00 0.00 179.01 180.17 3kr9 s ARG 114 N -3.61 0.37 -0.08 2.33 3.52 -0.88 -4.40 118.95 116.20 3kr9 s ARG 114 Ca -0.10 0.43 0.04 0.00 -0.13 0.00 0.00 55.73 55.96 3kr9 s ARG 114 Cb 0.08 0.18 -0.01 0.00 -1.56 0.00 0.00 34.95 33.64 3kr9 s ARG 114 CO 0.91 -0.05 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.65 3kr9 s LEU 115 N 0.14 2.39 -0.18 -0.88 1.02 -0.59 -1.65 118.68 118.93 3kr9 s LEU 115 Ca -0.00 -0.40 0.01 0.00 0.02 0.00 0.00 54.13 53.75 3kr9 s LEU 115 Cb -0.02 -1.48 0.02 0.00 0.02 0.00 0.00 46.19 44.73 3kr9 s LEU 115 CO 0.00 0.23 -0.19 -0.63 0.02 0.00 0.00 176.35 175.78 3kr9 s ILE 116 N -0.06 2.10 -0.10 -0.59 1.01 0.11 -1.18 121.20 122.50 3kr9 s ILE 116 Ca -0.05 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.69 3kr9 s ILE 116 Cb -0.14 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.45 3kr9 s ILE 116 CO 0.04 0.53 -0.17 -0.76 0.00 0.00 0.00 174.94 174.58 3kr9 s LEU 117 N 1.29 1.84 -0.52 2.97 1.43 0.84 -1.63 118.68 124.90 3kr9 s LEU 117 Ca 0.05 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 3kr9 s LEU 117 Cb -0.13 -1.16 0.14 0.00 0.03 0.00 0.00 46.19 45.07 3kr9 s LEU 117 CO -0.13 0.06 0.28 0.00 0.23 0.00 0.00 176.35 176.80 3kr9 s GLN 118 N 0.76 1.88 0.33 1.70 1.03 -0.35 0.95 119.66 125.96 3kr9 s GLN 118 Ca -0.11 -2.58 -0.27 0.00 0.04 0.00 0.00 55.36 52.44 3kr9 s GLN 118 Cb -0.16 -3.10 -0.09 0.00 0.03 0.00 0.00 33.01 29.69 3kr9 s GLN 118 CO 0.02 -1.14 1.06 -1.25 -2.54 0.00 0.00 175.29 171.43 3kr9 s PRO 119 N -0.29 4.45 0.17 9.60 0.04 -1.25 -2.26 135.00 145.47 3kr9 s PRO 119 Ca 0.18 1.63 0.26 0.00 0.04 0.00 0.00 61.00 63.11 3kr9 s PRO 119 Cb -0.23 -2.90 0.69 0.00 0.04 0.00 0.00 34.50 32.09 3kr9 s PRO 119 CO -0.02 0.09 1.64 0.09 0.04 0.00 0.00 177.00 178.84 3kr9 n ASN 120 N 0.65 0.75 -3.55 6.66 3.02 0.15 -4.28 115.26 118.66 3kr9 n ASN 120 Ca 0.02 0.43 -0.02 0.00 -0.03 0.00 0.00 54.58 54.98 3kr9 n ASN 120 Cb 0.47 -0.49 0.01 0.00 -0.61 0.00 0.00 39.78 39.16 3kr9 n ASN 120 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kr9 s ASN 121 N -4.36 -0.04 -1.45 6.41 2.20 -1.26 -4.95 114.94 111.49 3kr9 s ASN 121 Ca 0.09 -0.47 -0.09 0.00 -0.94 0.00 0.00 52.86 51.46 3kr9 s ASN 121 Cb 0.13 0.39 0.04 0.00 -2.00 0.00 0.00 41.25 39.81 3kr9 s ASN 121 CO 0.63 -0.76 0.71 0.54 -2.94 0.00 0.00 177.10 175.28 3kr9 n ARG 122 N -0.66 -4.91 -0.25 3.55 5.12 -1.26 -1.06 116.66 117.18 3kr9 n ARG 122 Ca -0.03 0.70 -0.05 0.00 -1.93 0.00 0.00 57.85 56.54 3kr9 n ARG 122 Cb 0.60 -5.55 0.10 0.00 -1.16 0.00 0.00 32.46 26.45 3kr9 n ARG 122 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3kr9 h GLU 123 N -1.55 1.11 -0.11 5.56 3.07 -1.94 -2.04 114.58 118.68 3kr9 h GLU 123 Ca -0.51 -0.21 0.04 0.00 -0.50 0.00 0.00 59.36 58.17 3kr9 h GLU 123 Cb 1.35 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 29.04 3kr9 h GLU 123 CO 0.58 0.92 -0.13 0.38 -1.40 0.00 0.00 179.01 179.35 3kr9 h ASP 124 N 1.08 -0.42 -0.18 1.42 2.03 -1.85 -0.91 116.42 117.60 3kr9 h ASP 124 Ca 0.24 0.08 -0.04 0.00 -0.73 0.00 0.00 57.03 56.58 3kr9 h ASP 124 Cb 0.24 0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 38.92 3kr9 h ASP 124 CO -0.02 -0.18 0.01 0.44 -1.03 0.00 0.00 179.24 178.46 3kr9 h ASP 125 N -0.17 0.39 0.04 4.15 3.32 -1.82 -0.76 116.42 121.58 3kr9 h ASP 125 Ca 0.08 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3kr9 h ASP 125 Cb 0.29 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3kr9 h ASP 125 CO -0.21 0.45 -0.25 0.25 -1.72 0.00 0.00 179.24 177.76 3kr9 h LEU 126 N 0.42 0.34 -0.59 1.55 5.85 -0.74 -1.87 115.31 120.27 3kr9 h LEU 126 Ca 0.09 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 3kr9 h LEU 126 Cb 0.26 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3kr9 h LEU 126 CO 0.01 0.60 -0.47 0.03 -0.34 0.00 0.00 178.44 178.27 3kr9 h ARG 127 N 0.31 0.58 -0.23 1.25 3.08 0.22 -0.60 114.38 118.99 3kr9 h ARG 127 Ca 0.05 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 3kr9 h ARG 127 Cb 0.61 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3kr9 h ARG 127 CO 0.04 0.92 0.08 0.82 -1.07 0.00 0.00 179.97 180.77 3kr9 h ILE 128 N 0.46 1.18 -0.22 2.04 2.04 -1.29 -1.44 117.51 120.29 3kr9 h ILE 128 Ca 0.03 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.34 3kr9 h ILE 128 Cb 0.99 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 3kr9 h ILE 128 CO 0.09 0.18 0.07 -0.25 0.00 0.00 0.00 178.15 178.24 3kr9 h TRP 129 N 0.20 0.12 0.03 1.37 7.01 -1.14 -0.78 115.95 122.76 3kr9 h TRP 129 Ca 0.07 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.10 3kr9 h TRP 129 Cb 0.21 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 3kr9 h TRP 129 CO -0.00 0.06 -0.12 -0.07 -2.79 0.00 0.00 178.44 175.52 3kr9 h LEU 130 N 0.17 -0.33 -0.61 0.65 3.38 -0.93 -2.28 115.31 115.36 3kr9 h LEU 130 Ca 0.10 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.18 3kr9 h LEU 130 Cb 0.07 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3kr9 h LEU 130 CO -0.11 -0.17 0.31 -0.61 0.09 0.00 0.00 178.44 177.95 3kr9 h GLN 131 N -0.21 0.55 0.00 1.13 4.15 -1.08 -1.34 115.11 118.31 3kr9 h GLN 131 Ca 0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3kr9 h GLN 131 Cb 0.25 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3kr9 h GLN 131 CO -0.10 0.36 0.00 -0.25 -1.93 0.00 0.00 178.83 176.92 3kr9 n ASP 132 N -4.86 0.00 -0.48 -0.69 8.00 -0.31 -3.14 116.55 115.07 3kr9 n ASP 132 Ca 0.07 -0.12 0.06 0.00 0.71 0.00 0.00 54.79 55.51 3kr9 n ASP 132 Cb 0.19 -0.21 0.11 0.00 -0.02 0.00 0.00 41.12 41.19 3kr9 n ASP 132 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3kr9 n HIS 133 N -1.21 0.00 -1.82 1.24 8.25 -0.58 -4.99 115.22 116.12 3kr9 n HIS 133 Ca 0.10 -0.86 0.00 0.00 -0.26 0.00 0.00 57.72 56.70 3kr9 n HIS 133 Cb 0.12 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.07 3kr9 n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kr9 n GLY 134 N -0.81 0.50 3.43 -1.41 0.00 -1.13 -5.01 105.19 100.76 3kr9 n GLY 134 Ca 0.12 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3kr9 n GLY 134 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kr9 s PHE 135 N -2.00 2.42 0.05 1.61 0.08 -0.75 -1.22 117.98 118.19 3kr9 s PHE 135 Ca 0.00 -0.33 0.09 0.00 0.12 0.00 0.00 56.93 56.81 3kr9 s PHE 135 Cb 0.00 -1.33 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 3kr9 s PHE 135 CO 0.00 0.31 -0.24 1.14 -0.10 0.00 0.00 175.22 176.33 3kr9 s GLN 136 N -1.88 1.60 0.05 0.44 -2.07 0.31 -3.98 119.66 114.13 3kr9 s GLN 136 Ca 0.15 -1.08 -0.28 0.00 -1.82 0.00 0.00 55.36 52.33 3kr9 s GLN 136 Cb -0.10 -1.79 -0.05 0.00 -1.09 0.00 0.00 33.01 29.97 3kr9 s GLN 136 CO 0.07 0.46 0.88 0.42 -1.32 0.00 0.00 175.29 175.79 3kr9 s ILE 137 N -0.84 4.70 -0.16 3.63 1.01 -1.26 -1.32 121.20 126.97 3kr9 s ILE 137 Ca 0.10 1.87 0.02 0.00 0.00 0.00 0.00 60.65 62.64 3kr9 s ILE 137 Cb -0.10 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.15 3kr9 s ILE 137 CO 0.02 0.29 0.36 1.33 0.00 0.00 0.00 174.94 176.95 3kr9 n VAL 138 N 3.12 0.00 -3.58 2.92 0.24 -0.09 -4.94 118.33 116.01 3kr9 n VAL 138 Ca 0.01 -0.49 -0.09 0.00 -2.04 0.00 0.00 64.34 61.74 3kr9 n VAL 138 Cb 0.50 1.02 -0.04 0.00 -1.47 0.00 0.00 33.84 33.85 3kr9 n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kr9 s ALA 139 N -0.55 -1.96 -0.00 2.33 0.00 -1.22 -5.01 121.76 115.36 3kr9 s ALA 139 Ca 0.01 1.58 -0.03 0.00 0.00 0.00 0.00 51.96 53.52 3kr9 s ALA 139 Cb 0.01 -0.68 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 3kr9 s ALA 139 CO 0.04 -0.35 0.05 -1.21 0.00 0.00 0.00 175.76 174.29 3kr9 s GLU 140 N -1.38 0.27 0.07 0.00 2.02 -1.26 -0.93 118.70 117.49 3kr9 s GLU 140 Ca 0.01 -0.29 0.02 0.00 0.02 0.00 0.00 54.97 54.73 3kr9 s GLU 140 Cb -0.01 0.11 -0.03 0.00 0.10 0.00 0.00 34.13 34.30 3kr9 s GLU 140 CO -0.01 -0.05 -0.06 -1.12 0.02 0.00 0.00 175.26 174.03 3kr9 s SER 141 N -0.87 0.93 -0.01 -0.19 0.01 -0.62 -4.70 113.70 108.25 3kr9 s SER 141 Ca -0.10 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.34 3kr9 s SER 141 Cb -0.06 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.27 3kr9 s SER 141 CO 0.00 -0.38 0.00 -0.51 0.41 0.00 0.00 173.24 172.76 3kr9 s ILE 142 N -2.80 0.07 0.26 1.44 2.07 -1.26 -0.85 121.20 120.12 3kr9 s ILE 142 Ca 0.03 0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.33 3kr9 s ILE 142 Cb -0.00 -0.12 -0.05 0.00 0.13 0.00 0.00 42.46 42.42 3kr9 s ILE 142 CO -0.03 0.06 0.06 -1.48 -1.91 0.00 0.00 174.94 171.64 3kr9 s LEU 143 N 0.43 1.88 0.06 8.50 2.34 -0.54 -4.86 118.68 126.50 3kr9 s LEU 143 Ca -0.04 -1.33 0.09 0.00 0.06 0.00 0.00 54.13 52.91 3kr9 s LEU 143 Cb -0.06 -0.11 -0.03 0.00 -0.56 0.00 0.00 46.19 45.43 3kr9 s LEU 143 CO -0.01 -0.65 -0.24 -0.70 -1.06 0.00 0.00 176.35 173.69 3kr9 s GLU 144 N -3.96 1.80 -0.21 1.48 2.12 -1.26 -1.24 118.70 117.42 3kr9 s GLU 144 Ca 0.34 -1.13 -0.07 0.00 0.36 0.00 0.00 54.97 54.48 3kr9 s GLU 144 Cb 0.07 -2.03 0.10 0.00 0.26 0.00 0.00 34.13 32.54 3kr9 s GLU 144 CO 0.12 0.51 0.44 -2.00 -0.54 0.00 0.00 175.26 173.78 3kr9 s GLU 145 N -1.49 0.35 -1.59 4.30 2.12 0.38 -4.87 118.70 117.90 3kr9 s GLU 145 Ca 0.13 1.02 -0.16 0.00 0.36 0.00 0.00 54.97 56.32 3kr9 s GLU 145 Cb -0.10 0.30 0.12 0.00 0.26 0.00 0.00 34.13 34.71 3kr9 s GLU 145 CO 0.04 -0.30 0.86 0.00 -0.54 0.00 0.00 175.26 175.33 3kr9 n ALA 146 N 5.39 -1.24 -0.98 6.30 0.00 -1.26 -0.96 120.51 127.76 3kr9 n ALA 146 Ca -0.08 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3kr9 n ALA 146 Cb 0.49 -3.95 0.00 0.00 0.00 0.00 0.00 19.45 15.99 3kr9 n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kr9 n GLY 147 N -1.52 0.81 3.65 0.00 0.00 -1.26 -5.02 105.19 101.85 3kr9 n GLY 147 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3kr9 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kr9 s LYS 148 N -0.07 2.17 -0.10 1.61 1.02 -0.14 -5.14 119.74 119.10 3kr9 s LYS 148 Ca 0.00 -1.62 0.01 0.00 0.02 0.00 0.00 55.97 54.38 3kr9 s LYS 148 Cb 0.00 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.25 3kr9 s LYS 148 CO 0.00 0.21 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.46 3kr9 s PHE 149 N -2.44 2.82 -0.08 3.18 0.08 -1.26 -0.47 117.98 119.81 3kr9 s PHE 149 Ca 0.34 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 57.05 3kr9 s PHE 149 Cb -0.03 -1.77 0.02 0.00 -0.57 0.00 0.00 43.02 40.67 3kr9 s PHE 149 CO 0.20 0.01 -0.09 0.71 -0.10 0.00 0.00 175.22 175.96 3kr9 s TYR 150 N -0.15 1.29 0.10 0.36 2.02 -0.37 -4.99 117.35 115.60 3kr9 s TYR 150 Ca 0.00 -0.52 -0.08 0.00 -0.37 0.00 0.00 57.07 56.11 3kr9 s TYR 150 Cb -0.13 -1.03 -0.06 0.00 -0.40 0.00 0.00 41.96 40.34 3kr9 s TYR 150 CO 0.03 -0.34 0.38 -1.21 -1.57 0.00 0.00 175.55 172.85 3kr9 s GLU 151 N 1.10 3.69 -0.12 -0.62 2.02 -1.26 -1.47 118.70 122.03 3kr9 s GLU 151 Ca -0.07 0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.00 3kr9 s GLU 151 Cb -0.14 -2.94 0.01 0.00 0.10 0.00 0.00 34.13 31.15 3kr9 s GLU 151 CO -0.01 0.53 -0.19 0.42 0.02 0.00 0.00 175.26 176.03 3kr9 s ILE 152 N -1.49 1.79 -0.14 -1.63 1.01 -0.03 -3.76 121.20 116.95 3kr9 s ILE 152 Ca 0.35 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3kr9 s ILE 152 Cb -0.13 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 3kr9 s ILE 152 CO 0.20 0.50 -0.10 -0.76 0.00 0.00 0.00 174.94 174.78 3kr9 s LEU 153 N 0.84 2.89 -0.11 2.97 1.02 0.27 -1.58 118.68 124.98 3kr9 s LEU 153 Ca -0.08 -0.26 -0.02 0.00 0.02 0.00 0.00 54.13 53.79 3kr9 s LEU 153 Cb -0.15 -1.67 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 3kr9 s LEU 153 CO -0.01 0.17 -0.03 -0.69 0.02 0.00 0.00 176.35 175.81 3kr9 s VAL 154 N 0.35 4.02 -0.02 -1.59 1.01 -0.11 -0.11 120.40 123.95 3kr9 s VAL 154 Ca -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 3kr9 s VAL 154 Cb -0.15 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3kr9 s VAL 154 CO 0.05 0.55 0.05 -0.69 0.00 0.00 0.00 175.10 175.07 3kr9 s VAL 155 N -0.32 0.01 0.19 2.92 1.01 -0.33 -0.91 120.40 122.97 3kr9 s VAL 155 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 3kr9 s VAL 155 Cb -0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 3kr9 s VAL 155 CO 0.02 -0.05 0.10 -1.61 0.00 0.00 0.00 175.10 173.56 3kr9 s GLU 156 N -0.12 1.14 0.24 2.72 2.02 -0.43 -1.54 118.70 122.73 3kr9 s GLU 156 Ca -0.02 -1.59 -0.30 0.00 0.02 0.00 0.00 54.97 53.08 3kr9 s GLU 156 Cb -0.01 0.18 -0.10 0.00 0.10 0.00 0.00 34.13 34.29 3kr9 s GLU 156 CO 0.00 -0.33 1.45 0.00 0.02 0.00 0.00 175.26 176.40 3kr9 s ALA 157 N -4.06 3.64 0.00 5.21 0.00 -1.26 -0.53 121.76 124.75 3kr9 s ALA 157 Ca 0.34 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.63 3kr9 s ALA 157 Cb 0.07 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3kr9 s ALA 157 CO 0.09 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.51 3kr9 n GLY 158 N 2.28 0.86 3.85 0.00 0.00 -0.35 -4.68 105.19 107.16 3kr9 n GLY 158 Ca 0.07 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 3kr9 n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kr9 s GLN 159 N -1.72 3.91 0.07 1.61 -0.21 -1.26 -2.48 119.66 119.57 3kr9 s GLN 159 Ca 0.00 0.41 -0.04 0.00 0.02 0.00 0.00 55.36 55.75 3kr9 s GLN 159 Cb 0.00 -2.85 -0.03 0.00 1.00 0.00 0.00 33.01 31.13 3kr9 s GLN 159 CO 0.00 0.43 0.05 0.00 -2.12 0.00 0.00 175.29 173.65 3kr9 s MET 160 N -2.21 0.70 -0.36 2.91 0.23 -1.26 -4.73 119.30 114.57 3kr9 s MET 160 Ca 0.40 -1.14 -0.00 0.00 -1.03 0.00 0.00 55.69 53.92 3kr9 s MET 160 Cb -0.14 0.26 0.13 0.00 -1.53 0.00 0.00 34.83 33.55 3kr9 s MET 160 CO 0.20 -0.17 0.19 0.15 -2.03 0.00 0.00 175.02 173.36 3kr9 s LYS 161 N -3.90 0.72 0.14 3.16 -0.14 -1.26 -4.94 119.74 113.52 3kr9 s LYS 161 Ca 0.07 -1.37 -0.22 0.00 -1.36 0.00 0.00 55.97 53.09 3kr9 s LYS 161 Cb 0.07 -1.65 -0.07 0.00 -1.68 0.00 0.00 37.83 34.49 3kr9 s LYS 161 CO -0.10 -1.14 0.68 -0.51 -0.76 0.00 0.00 175.35 173.52 3kr9 s LEU 162 N 1.09 4.51 0.86 3.17 1.43 -1.26 -5.07 118.68 123.41 3kr9 s LEU 162 Ca 0.16 1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 3kr9 s LEU 162 Cb -0.22 -3.20 0.11 0.00 0.03 0.00 0.00 46.19 42.91 3kr9 s LEU 162 CO -0.08 0.20 1.09 -0.94 0.23 0.00 0.00 176.35 176.86 3kr9 s SER 163 N -1.25 3.77 0.34 2.29 1.04 -1.26 -4.81 113.70 113.82 3kr9 s SER 163 Ca 0.35 1.67 0.07 0.00 0.48 0.00 0.00 55.95 58.52 3kr9 s SER 163 Cb -0.20 -2.34 0.77 0.00 0.10 0.00 0.00 66.02 64.35 3kr9 s SER 163 CO 0.22 -2.48 1.86 0.00 0.98 0.00 0.00 173.24 173.82 3kr9 h ALA 164 N -1.44 1.77 -0.14 5.32 0.00 -1.99 0.32 119.26 123.10 3kr9 h ALA 164 Ca -0.47 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3kr9 h ALA 164 Cb 1.26 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kr9 h ALA 164 CO 0.52 -0.02 -0.00 1.03 0.00 0.00 0.00 179.25 180.77 3kr9 h SER 165 N 0.75 0.25 -0.27 0.00 0.87 -1.99 -2.20 113.55 110.95 3kr9 h SER 165 Ca 0.47 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3kr9 h SER 165 Cb 0.70 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 3kr9 h SER 165 CO -0.23 0.50 0.14 0.44 -0.53 0.00 0.00 176.83 177.16 3kr9 h ASP 166 N -0.02 0.37 -0.78 6.23 3.32 -1.77 -0.18 116.42 123.59 3kr9 h ASP 166 Ca 0.04 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3kr9 h ASP 166 Cb 0.38 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3kr9 h ASP 166 CO 0.01 0.33 0.37 0.58 -1.72 0.00 0.00 179.24 178.81 3kr9 h VAL 167 N 0.42 1.25 0.11 -1.35 2.07 -0.64 0.37 116.25 118.47 3kr9 h VAL 167 Ca 0.11 -0.70 -0.33 0.00 0.82 0.00 0.00 66.70 66.60 3kr9 h VAL 167 Cb 0.05 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3kr9 h VAL 167 CO -0.01 0.30 -1.76 -0.09 0.02 0.00 0.00 177.57 176.02 3kr9 h ARG 168 N 1.11 0.22 0.00 1.57 9.65 -1.04 -3.36 114.38 122.53 3kr9 h ARG 168 Ca 0.27 -0.38 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3kr9 h ARG 168 Cb 0.12 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 3kr9 h ARG 168 CO -0.03 1.05 -1.56 1.19 2.80 0.00 0.00 179.97 183.42 3kr9 n PHE 169 N -3.40 0.00 -0.01 2.20 3.72 -0.11 -4.73 117.46 115.13 3kr9 n PHE 169 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 3kr9 n PHE 169 Cb 1.05 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 3kr9 n PHE 169 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kr9 n GLY 170 N 1.60 1.07 0.27 1.37 0.00 0.12 -3.87 105.19 105.74 3kr9 n GLY 170 Ca -0.02 -1.32 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 3kr9 n GLY 170 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kr9 h PRO 171 N 0.00 0.53 0.05 1.61 0.13 -1.90 -0.31 132.00 132.11 3kr9 h PRO 171 Ca 0.00 -0.12 -0.16 0.00 -0.87 0.00 0.00 66.00 64.85 3kr9 h PRO 171 Cb 0.00 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.05 3kr9 h PRO 171 CO 0.00 0.57 -0.79 0.74 -0.23 0.00 0.00 178.00 178.30 3kr9 h PHE 172 N 0.50 0.20 -1.00 1.56 0.04 -1.93 -3.35 116.94 112.96 3kr9 h PHE 172 Ca 0.10 -0.15 0.05 0.00 2.80 0.00 0.00 57.97 60.78 3kr9 h PHE 172 Cb 0.37 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.45 3kr9 h PHE 172 CO 0.01 1.31 0.65 -0.07 -0.60 0.00 0.00 178.31 179.61 3kr9 h LEU 173 N -0.72 1.06 -0.61 1.54 3.38 -1.77 -1.43 115.31 116.76 3kr9 h LEU 173 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3kr9 h LEU 173 Cb 1.37 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3kr9 h LEU 173 CO -0.01 0.70 0.00 0.77 0.09 0.00 0.00 178.44 179.99 3kr9 h SER 174 N 1.21 0.00 0.16 -0.43 4.64 -1.16 -0.86 113.55 117.11 3kr9 h SER 174 Ca 0.42 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.41 3kr9 h SER 174 Cb 0.10 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3kr9 h SER 174 CO -0.15 0.00 -1.62 0.50 -0.87 0.00 0.00 176.83 174.68 3kr9 h LYS 175 N 0.00 0.34 -0.44 4.77 3.64 -1.42 -3.37 116.57 120.10 3kr9 h LYS 175 Ca 0.00 -0.59 -0.12 0.00 -1.27 0.00 0.00 60.65 58.67 3kr9 h LYS 175 Cb 0.63 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3kr9 h LYS 175 CO 0.00 1.28 -0.21 1.05 -2.27 0.00 0.00 179.45 179.30 3kr9 h GLU 176 N -0.04 0.91 -6.77 1.90 4.11 -1.25 -3.48 114.58 109.95 3kr9 h GLU 176 Ca -0.33 -0.40 -0.56 0.00 0.07 0.00 0.00 59.36 58.15 3kr9 h GLU 176 Cb 1.98 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 31.15 3kr9 h GLU 176 CO 0.14 1.05 -0.97 0.28 0.07 0.00 0.00 179.01 179.58 3kr9 n VAL 177 N -4.18 -2.95 -0.62 -1.06 0.31 -0.34 -4.93 118.33 104.56 3kr9 n VAL 177 Ca -0.01 -0.63 -0.29 0.00 -0.01 0.00 0.00 64.34 63.40 3kr9 n VAL 177 Cb 0.45 -2.42 0.22 0.00 -0.91 0.00 0.00 33.84 31.17 3kr9 n VAL 177 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3kr9 s SER 178 N -3.87 1.71 0.48 4.52 1.04 -1.26 -4.72 113.70 111.59 3kr9 s SER 178 Ca 0.29 1.75 0.12 0.00 0.48 0.00 0.00 55.95 58.59 3kr9 s SER 178 Cb -0.14 -2.39 1.10 0.00 0.10 0.00 0.00 66.02 64.69 3kr9 s SER 178 CO 0.95 -3.79 2.11 -0.65 0.98 0.00 0.00 173.24 172.84 3kr9 h PRO 179 N -2.34 0.21 -0.22 4.02 0.11 -1.99 -1.09 132.00 130.70 3kr9 h PRO 179 Ca -0.55 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.36 3kr9 h PRO 179 Cb 1.31 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kr9 h PRO 179 CO 0.47 0.15 -0.58 0.28 -0.21 0.00 0.00 178.00 178.11 3kr9 h VAL 180 N 0.22 1.29 -0.69 3.15 2.07 -1.90 -2.38 116.25 118.01 3kr9 h VAL 180 Ca 0.06 -1.78 0.10 0.00 0.82 0.00 0.00 66.70 65.89 3kr9 h VAL 180 Cb -0.02 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 3kr9 h VAL 180 CO -0.01 0.57 0.32 0.15 0.02 0.00 0.00 177.57 178.61 3kr9 h PHE 181 N 0.52 0.56 -0.29 1.57 3.57 -1.72 -1.03 116.94 120.12 3kr9 h PHE 181 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3kr9 h PHE 181 Cb 1.20 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 3kr9 h PHE 181 CO 0.08 0.18 0.15 0.28 -2.23 0.00 0.00 178.31 176.78 3kr9 h VAL 182 N 0.54 1.14 -0.50 1.41 2.07 -0.99 -1.93 116.25 117.99 3kr9 h VAL 182 Ca 0.34 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3kr9 h VAL 182 Cb 0.39 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3kr9 h VAL 182 CO -0.29 0.14 0.32 1.56 0.02 0.00 0.00 177.57 179.32 3kr9 h GLN 183 N 0.35 0.62 -0.08 1.57 4.20 -1.14 0.16 115.11 120.79 3kr9 h GLN 183 Ca 0.10 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.80 3kr9 h GLN 183 Cb 0.08 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3kr9 h GLN 183 CO -0.02 0.41 -0.07 -0.22 -0.67 0.00 0.00 178.83 178.27 3kr9 h LYS 184 N 0.64 -0.08 0.11 1.46 3.64 -0.98 -1.74 116.57 119.62 3kr9 h LYS 184 Ca 0.19 0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.31 3kr9 h LYS 184 Cb -0.04 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3kr9 h LYS 184 CO -0.06 -0.05 -1.20 -1.49 -2.27 0.00 0.00 179.45 174.38 3kr9 h TRP 185 N -0.08 0.41 -0.65 1.91 4.06 -1.06 -1.72 115.95 118.83 3kr9 h TRP 185 Ca 0.06 -0.30 0.05 0.00 2.06 0.00 0.00 58.89 60.76 3kr9 h TRP 185 Cb 0.16 -0.02 -0.05 0.00 -1.00 0.00 0.00 29.16 28.25 3kr9 h TRP 185 CO -0.17 1.23 0.36 0.37 -3.56 0.00 0.00 178.44 176.67 3kr9 h GLN 186 N 0.06 0.66 -0.41 0.49 5.75 -1.01 0.69 115.11 121.33 3kr9 h GLN 186 Ca -0.11 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.22 3kr9 h GLN 186 Cb 1.94 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 30.32 3kr9 h GLN 186 CO 0.19 0.44 -0.25 -0.22 -2.65 0.00 0.00 178.83 176.34 3kr9 h LYS 187 N 0.68 0.85 -0.47 1.69 3.64 -1.15 -1.93 116.57 119.88 3kr9 h LYS 187 Ca 0.28 -0.36 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 3kr9 h LYS 187 Cb 0.15 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3kr9 h LYS 187 CO -0.17 1.00 -0.13 1.49 -2.27 0.00 0.00 179.45 179.38 3kr9 h GLU 188 N 0.73 0.87 -0.17 1.90 4.57 -0.56 -1.40 114.58 120.51 3kr9 h GLU 188 Ca 0.09 -0.31 0.03 0.00 -1.18 0.00 0.00 59.36 57.99 3kr9 h GLU 188 Cb 0.79 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.29 3kr9 h GLU 188 CO 0.07 0.95 -0.03 0.00 -1.18 0.00 0.00 179.01 178.81 3kr9 h ALA 189 N 1.07 0.12 -0.66 2.92 0.00 0.66 -1.42 119.26 121.95 3kr9 h ALA 189 Ca 0.12 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3kr9 h ALA 189 Cb 0.65 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3kr9 h ALA 189 CO 0.05 -0.47 0.25 1.05 0.00 0.00 0.00 179.25 180.13 3kr9 h GLU 190 N 0.01 0.98 -0.15 0.00 4.11 -1.14 0.39 114.58 118.79 3kr9 h GLU 190 Ca 0.08 -0.17 0.04 0.00 0.07 0.00 0.00 59.36 59.39 3kr9 h GLU 190 Cb 0.12 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3kr9 h GLU 190 CO -0.17 0.81 -0.11 0.87 0.07 0.00 0.00 179.01 180.48 3kr9 h LYS 191 N 0.96 -0.12 -0.99 1.06 1.57 -1.06 0.27 116.57 118.27 3kr9 h LYS 191 Ca 0.22 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3kr9 h LYS 191 Cb 0.20 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3kr9 h LYS 191 CO -0.02 -0.08 0.63 -0.07 -0.57 0.00 0.00 179.45 179.34 3kr9 h LEU 192 N -0.12 1.15 -1.24 2.94 3.38 -0.42 -1.07 115.31 119.93 3kr9 h LEU 192 Ca 0.09 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3kr9 h LEU 192 Cb 0.26 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kr9 h LEU 192 CO -0.22 0.86 -0.37 -0.33 0.09 0.00 0.00 178.44 178.46 3kr9 h GLU 193 N 1.35 0.00 -0.03 1.13 5.08 0.25 -0.80 114.58 121.56 3kr9 h GLU 193 Ca 0.36 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.55 3kr9 h GLU 193 Cb -0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.15 3kr9 h GLU 193 CO -0.07 0.37 -0.62 0.35 -1.00 0.00 0.00 179.01 178.04 3kr9 h PHE 194 N 0.00 0.68 -0.68 4.33 3.57 -0.33 -2.47 116.94 122.04 3kr9 h PHE 194 Ca -0.00 -0.35 -0.07 0.00 3.53 0.00 0.00 57.97 61.08 3kr9 h PHE 194 Cb 0.69 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 3kr9 h PHE 194 CO 0.00 1.16 0.15 0.00 -2.23 0.00 0.00 178.31 177.39 3kr9 h ALA 195 N 0.37 0.89 0.00 2.41 0.00 -0.99 0.41 119.26 122.36 3kr9 h ALA 195 Ca -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3kr9 h ALA 195 Cb 1.31 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3kr9 h ALA 195 CO 0.12 0.63 0.00 -0.11 0.00 0.00 0.00 179.25 179.89 3kr9 n LEU 196 N -4.26 0.69 0.01 0.00 7.94 -0.33 -2.03 117.00 119.02 3kr9 n LEU 196 Ca 0.05 0.67 -0.18 0.00 -1.11 0.00 0.00 56.01 55.44 3kr9 n LEU 196 Cb 0.26 -0.58 -0.10 0.00 0.53 0.00 0.00 43.42 43.53 3kr9 n LEU 196 CO 0.42 -0.58 0.24 1.23 -1.11 0.00 0.00 177.39 177.59 3kr9 h GLY 197 N 2.20 0.56 0.00 -3.96 0.00 -0.45 -3.39 103.07 98.03 3kr9 h GLY 197 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.40 3kr9 h GLY 197 CO 0.00 0.83 0.00 -1.06 0.00 0.00 0.00 176.54 176.31 3kr9 n GLN 198 N -4.14 0.00 -1.60 4.80 6.02 -0.66 -4.69 117.38 117.12 3kr9 n GLN 198 Ca -0.10 0.02 -0.60 0.00 -0.01 0.00 0.00 57.00 56.31 3kr9 n GLN 198 Cb 0.71 -0.64 -0.09 0.00 1.02 0.00 0.00 30.24 31.24 3kr9 n GLN 198 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3kr9 n ILE 199 N -0.16 0.15 -3.96 5.09 -0.00 -1.09 -4.96 119.36 114.43 3kr9 n ILE 199 Ca 0.00 -0.06 -0.09 0.00 -0.00 0.00 0.00 62.75 62.60 3kr9 n ILE 199 Cb 0.00 -0.95 -0.10 0.00 -0.00 0.00 0.00 39.64 38.59 3kr9 n ILE 199 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 3kr9 s PRO 200 N 4.26 0.50 0.00 6.28 0.04 -1.26 -4.87 135.00 139.95 3kr9 s PRO 200 Ca 1.06 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.36 3kr9 s PRO 200 Cb -1.24 0.19 0.00 0.00 0.04 0.00 0.00 34.50 33.49 3kr9 s PRO 200 CO 0.68 -0.11 0.00 -1.91 0.04 0.00 0.00 177.00 175.70 3kr9 n GLU 201 N 0.97 1.38 -0.10 4.56 4.07 -1.26 -4.98 120.64 125.29 3kr9 n GLU 201 Ca -0.20 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 56.86 3kr9 n GLU 201 Cb 0.58 -0.52 0.04 0.00 -0.06 0.00 0.00 31.44 31.48 3kr9 n GLU 201 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3kr9 n LYS 202 N -0.44 -1.71 -3.09 5.31 4.76 -1.26 -4.66 118.16 117.08 3kr9 n LYS 202 Ca 0.00 -0.22 -0.18 0.00 -2.87 0.00 0.00 58.31 55.05 3kr9 n LYS 202 Cb 0.01 -0.23 0.02 0.00 -1.84 0.00 0.00 35.03 32.99 3kr9 n LYS 202 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kr9 n ASN 203 N -3.30 -7.03 -0.04 4.39 5.15 -1.26 -4.89 115.26 108.29 3kr9 n ASN 203 Ca 0.02 0.38 -0.13 0.00 -0.60 0.00 0.00 54.58 54.24 3kr9 n ASN 203 Cb 0.08 -3.84 -0.11 0.00 -0.53 0.00 0.00 39.78 35.37 3kr9 n ASN 203 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3kr9 h LEU 204 N 2.25 -0.01 -0.90 1.20 3.38 -2.00 -3.23 115.31 116.00 3kr9 h LEU 204 Ca -0.20 -0.71 0.37 0.00 0.09 0.00 0.00 57.88 57.42 3kr9 h LEU 204 Cb 1.04 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.65 3kr9 h LEU 204 CO 0.19 0.72 0.50 -1.84 0.09 0.00 0.00 178.44 178.10 3kr9 n GLU 205 N -4.75 -0.05 -0.04 1.13 0.00 -1.26 -0.14 120.64 115.54 3kr9 n GLU 205 Ca -0.09 1.16 -0.15 0.00 0.00 0.00 0.00 57.16 58.08 3kr9 n GLU 205 Cb 0.35 -2.11 -0.12 0.00 0.00 0.00 0.00 31.44 29.56 3kr9 n GLU 205 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3kr9 h GLU 206 N 0.00 0.09 0.00 3.44 4.81 -1.93 -3.14 114.58 117.86 3kr9 h GLU 206 Ca 0.73 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.82 3kr9 h GLU 206 Cb 1.99 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.40 3kr9 h GLU 206 CO -0.62 0.89 -0.17 0.00 -0.73 0.00 0.00 179.01 178.38 3kr9 h ARG 207 N -0.66 0.00 -0.21 1.92 3.08 -1.22 -3.14 114.38 114.15 3kr9 h ARG 207 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kr9 h ARG 207 Cb 0.94 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 3kr9 h ARG 207 CO 0.03 0.17 0.12 0.37 -1.07 0.00 0.00 179.97 179.60 3kr9 h GLN 208 N 0.00 0.29 -0.90 0.04 5.75 -0.49 -0.98 115.11 118.83 3kr9 h GLN 208 Ca -0.00 -0.03 0.15 0.00 -0.15 0.00 0.00 58.65 58.62 3kr9 h GLN 208 Cb 0.33 -0.06 -0.09 0.00 1.07 0.00 0.00 27.48 28.73 3kr9 h GLN 208 CO 0.02 0.24 0.50 -0.24 -2.65 0.00 0.00 178.83 176.70 3kr9 h VAL 209 N 0.25 0.75 -0.26 2.39 3.04 -1.52 0.33 116.25 121.23 3kr9 h VAL 209 Ca 0.08 -0.24 -0.12 0.00 -1.01 0.00 0.00 66.70 65.40 3kr9 h VAL 209 Cb 0.03 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.29 3kr9 h VAL 209 CO -0.01 0.13 -0.35 -0.07 -1.01 0.00 0.00 177.57 176.25 3kr9 h LEU 210 N 0.70 0.60 -0.32 3.16 4.07 -1.56 -2.79 115.31 119.16 3kr9 h LEU 210 Ca 0.49 -0.25 -0.03 0.00 0.08 0.00 0.00 57.88 58.17 3kr9 h LEU 210 Cb 0.68 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 3kr9 h LEU 210 CO -0.35 0.90 0.09 0.58 -1.08 0.00 0.00 178.44 178.58 3kr9 h VAL 211 N 0.48 1.22 -0.37 1.22 2.07 0.36 -2.17 116.25 119.05 3kr9 h VAL 211 Ca 0.05 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 3kr9 h VAL 211 Cb 0.84 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3kr9 h VAL 211 CO 0.07 0.24 0.08 0.44 0.02 0.00 0.00 177.57 178.42 3kr9 h ASP 212 N 0.36 0.50 -0.56 0.57 3.32 -1.08 -1.91 116.42 117.62 3kr9 h ASP 212 Ca 0.10 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 3kr9 h ASP 212 Cb 0.28 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3kr9 h ASP 212 CO -0.00 0.51 0.02 0.11 -1.72 0.00 0.00 179.24 178.16 3kr9 h LYS 213 N 0.53 0.98 -0.34 3.56 1.57 -1.20 -1.63 116.57 120.05 3kr9 h LYS 213 Ca 0.12 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 3kr9 h LYS 213 Cb 0.22 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3kr9 h LYS 213 CO -0.00 0.97 0.05 0.82 -0.57 0.00 0.00 179.45 180.71 3kr9 h ILE 214 N 0.87 1.24 -0.65 1.86 2.04 -1.00 -2.21 117.51 119.65 3kr9 h ILE 214 Ca 0.16 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 3kr9 h ILE 214 Cb 0.51 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3kr9 h ILE 214 CO 0.02 0.28 0.28 1.56 0.00 0.00 0.00 178.15 180.30 3kr9 h GLN 215 N 0.40 0.97 -0.55 2.37 1.08 -1.27 -0.95 115.11 117.16 3kr9 h GLN 215 Ca 0.10 -0.17 0.07 0.00 -1.45 0.00 0.00 58.65 57.21 3kr9 h GLN 215 Cb 0.37 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.57 3kr9 h GLN 215 CO 0.01 0.80 0.21 0.00 -0.95 0.00 0.00 178.83 178.90 3kr9 h ALA 216 N 1.12 0.69 0.01 3.87 0.00 -1.13 0.30 119.26 124.13 3kr9 h ALA 216 Ca 0.22 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kr9 h ALA 216 Cb 0.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kr9 h ALA 216 CO -0.02 -0.18 -0.01 0.82 0.00 0.00 0.00 179.25 179.86 3kr9 h ILE 217 N 0.41 1.11 -0.47 0.00 2.04 -1.05 -1.60 117.51 117.95 3kr9 h ILE 217 Ca 0.27 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.85 3kr9 h ILE 217 Cb 0.28 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 37.64 3kr9 h ILE 217 CO -0.25 0.09 -0.02 0.11 0.00 0.00 0.00 178.15 178.08 3kr9 h LYS 218 N -0.18 0.09 -0.03 2.37 1.57 -0.47 -0.68 116.57 119.25 3kr9 h LYS 218 Ca -0.00 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3kr9 h LYS 218 Cb 0.17 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3kr9 h LYS 218 CO 0.00 0.06 -0.12 0.93 -0.57 0.00 0.00 179.45 179.76 3kr9 h GLU 219 N 0.09 -0.18 0.00 3.15 5.08 -0.31 -1.59 114.58 120.82 3kr9 h GLU 219 Ca 0.24 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3kr9 h GLU 219 Cb 0.35 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3kr9 h GLU 219 CO -0.41 -0.12 -0.19 -0.24 -1.00 0.00 0.00 179.01 177.05 3kr9 h VAL 220 N -0.18 0.62 0.00 3.13 3.04 -0.70 -2.34 116.25 119.82 3kr9 h VAL 220 Ca 0.05 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 3kr9 h VAL 220 Cb 0.26 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 3kr9 h VAL 220 CO -0.14 0.19 -0.45 0.18 -1.01 0.00 0.00 177.57 176.34 3kr9 n LEU 221 N -3.56 0.58 0.00 3.16 4.77 -0.31 -5.00 117.00 116.62 3kr9 n LEU 221 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3kr9 n LEU 221 Cb 0.33 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3kr9 n LEU 221 CO 0.32 -0.01 0.17 1.57 -1.33 0.00 0.00 177.39 178.11