#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr n LYS 3 N 0.00 0.00 -0.85 1.97 0.00 -1.26 -5.02 118.16 113.00 3kcr n LYS 3 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 58.31 58.38 3kcr n LYS 3 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 35.03 35.42 3kcr n LYS 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3kcr n LEU 4 N 0.00 5.53 -0.34 3.14 4.77 -1.26 -4.85 117.00 124.00 3kcr n LEU 4 Ca 0.00 -2.81 0.08 0.00 -0.03 0.00 0.00 56.01 53.26 3kcr n LEU 4 Cb 0.00 -0.67 0.18 0.00 -2.33 0.00 0.00 43.42 40.60 3kcr n LEU 4 CO 0.00 0.63 0.67 -0.38 -1.33 0.00 0.00 177.39 176.98 3kcr n ILE 5 N 0.66 -0.40 -0.18 -0.08 5.41 -1.26 -2.84 119.36 120.67 3kcr n ILE 5 Ca 0.27 2.15 -0.04 0.00 1.00 0.00 0.00 62.75 66.13 3kcr n ILE 5 Cb 1.15 -3.02 0.15 0.00 -0.71 0.00 0.00 39.64 37.20 3kcr n ILE 5 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3kcr h PRO 6 N 0.00 0.94 0.00 0.38 0.11 -2.01 -1.83 132.00 129.60 3kcr h PRO 6 Ca 0.49 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3kcr h PRO 6 Cb 0.85 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3kcr h PRO 6 CO -0.95 0.82 -1.04 -0.89 -0.21 0.00 0.00 178.00 175.73 3kcr n ILE 7 N -4.27 0.52 -0.20 4.15 2.08 -1.14 -3.63 119.36 116.88 3kcr n ILE 7 Ca 0.05 -0.50 -0.08 0.00 0.56 0.00 0.00 62.75 62.78 3kcr n ILE 7 Cb 0.22 -0.25 0.02 0.00 -0.75 0.00 0.00 39.64 38.88 3kcr n ILE 7 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 3kcr h LEU 8 N 0.00 0.77 -1.80 1.39 6.46 -1.32 -1.95 115.31 118.86 3kcr h LEU 8 Ca 0.00 -0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.64 3kcr h LEU 8 Cb 0.96 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 3kcr h LEU 8 CO 0.00 0.72 0.21 -0.33 -0.62 0.00 0.00 178.44 178.42 3kcr h GLU 9 N 0.78 0.25 -0.62 1.25 5.08 -1.43 -2.48 114.58 117.41 3kcr h GLU 9 Ca 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3kcr h GLU 9 Cb 0.17 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3kcr h GLU 9 CO -0.02 0.17 0.00 1.63 -1.00 0.00 0.00 179.01 179.79 3kcr n LYS 10 N -4.49 2.56 -2.97 2.33 4.01 -0.77 -4.71 118.16 114.13 3kcr n LYS 10 Ca 0.03 -2.23 -0.40 0.00 -0.51 0.00 0.00 58.31 55.20 3kcr n LYS 10 Cb 0.20 -1.53 -0.05 0.00 -0.51 0.00 0.00 35.03 33.14 3kcr n LYS 10 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3kcr s ILE 11 N -1.29 4.90 0.78 -0.18 1.01 -0.94 -5.04 121.20 120.44 3kcr s ILE 11 Ca 0.41 1.61 -0.12 0.00 0.00 0.00 0.00 60.65 62.55 3kcr s ILE 11 Cb 0.22 -4.11 0.07 0.00 0.01 0.00 0.00 42.46 38.65 3kcr s ILE 11 CO 0.27 0.28 1.13 -2.84 0.00 0.00 0.00 174.94 173.78 3kcr s PRO 12 N 0.50 2.00 -0.06 2.79 0.02 -1.26 -5.02 135.00 133.97 3kcr s PRO 12 Ca 0.40 1.42 -0.15 0.00 0.02 0.00 0.00 61.00 62.69 3kcr s PRO 12 Cb -0.19 -1.85 0.03 0.00 0.02 0.00 0.00 34.50 32.51 3kcr s PRO 12 CO 0.22 -1.87 0.35 -2.00 -0.33 0.00 0.00 177.00 173.36 3kcr s GLU 13 N -4.50 0.60 0.37 5.54 2.56 -1.26 -5.13 118.70 116.87 3kcr s GLU 13 Ca 0.66 0.09 -0.27 0.00 0.00 0.00 0.00 54.97 55.45 3kcr s GLU 13 Cb -0.21 0.27 -0.09 0.00 2.00 0.00 0.00 34.13 36.10 3kcr s GLU 13 CO 0.52 -0.14 1.30 0.08 -0.56 0.00 0.00 175.26 176.46 3kcr s VAL 14 N -0.76 2.69 -0.50 3.70 1.01 -1.26 -4.98 120.40 120.30 3kcr s VAL 14 Ca -0.08 0.65 -0.18 0.00 0.00 0.00 0.00 61.98 62.36 3kcr s VAL 14 Cb -0.04 -3.40 0.06 0.00 0.00 0.00 0.00 36.38 33.01 3kcr s VAL 14 CO 0.03 0.12 0.58 -0.70 0.00 0.00 0.00 175.10 175.13 3kcr s GLU 15 N -2.04 3.09 0.04 2.72 2.12 -1.26 -5.04 118.70 118.32 3kcr s GLU 15 Ca 0.53 -1.02 -0.19 0.00 0.36 0.00 0.00 54.97 54.65 3kcr s GLU 15 Cb -0.38 -4.12 -0.06 0.00 0.26 0.00 0.00 34.13 29.83 3kcr s GLU 15 CO 0.50 -1.19 0.55 -0.48 -0.54 0.00 0.00 175.26 174.09 3kcr s LEU 16 N 2.40 4.49 0.63 2.70 2.34 -1.26 -5.08 118.68 124.90 3kcr s LEU 16 Ca 0.12 1.18 -0.02 0.00 0.06 0.00 0.00 54.13 55.47 3kcr s LEU 16 Cb -0.21 -2.84 0.05 0.00 -0.56 0.00 0.00 46.19 42.63 3kcr s LEU 16 CO 0.10 0.24 0.90 -2.16 -1.06 0.00 0.00 176.35 174.36 3kcr s PRO 17 N -0.84 2.31 -0.01 1.48 0.04 -1.26 -4.99 135.00 131.74 3kcr s PRO 17 Ca 0.28 -0.58 0.07 0.00 0.04 0.00 0.00 61.00 60.81 3kcr s PRO 17 Cb -0.19 -2.34 -0.10 0.00 0.04 0.00 0.00 34.50 31.91 3kcr s PRO 17 CO 0.17 -1.00 0.20 0.28 0.04 0.00 0.00 177.00 176.69 3kcr n VAL 18 N -2.63 0.00 -1.13 -0.36 0.31 -1.26 -5.04 118.33 108.22 3kcr n VAL 18 Ca 0.09 -0.22 -0.31 0.00 -0.01 0.00 0.00 64.34 63.89 3kcr n VAL 18 Cb 0.60 0.54 0.11 0.00 -0.91 0.00 0.00 33.84 34.18 3kcr n VAL 18 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3kcr s LYS 19 N -2.25 1.96 0.20 5.55 -0.14 -1.26 -4.94 119.74 118.86 3kcr s LYS 19 Ca -0.01 1.27 -0.33 0.00 -1.36 0.00 0.00 55.97 55.54 3kcr s LYS 19 Cb 0.05 -1.86 -0.13 0.00 -1.68 0.00 0.00 37.83 34.22 3kcr s LYS 19 CO 0.30 -1.88 1.66 -1.91 -0.76 0.00 0.00 175.35 172.76 3kcr n GLU 20 N -3.68 2.54 -4.01 1.68 2.13 -1.26 -4.99 120.64 113.04 3kcr n GLU 20 Ca 0.10 0.92 -0.34 0.00 0.66 0.00 0.00 57.16 58.50 3kcr n GLU 20 Cb 0.53 -2.73 -0.15 0.00 0.27 0.00 0.00 31.44 29.36 3kcr n GLU 20 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3kcr s ILE 21 N 1.01 2.55 0.87 6.31 1.01 -1.26 -5.12 121.20 126.57 3kcr s ILE 21 Ca 0.76 -1.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 3kcr s ILE 21 Cb -0.57 -2.33 0.11 0.00 0.01 0.00 0.00 42.46 39.69 3kcr s ILE 21 CO 0.35 0.17 1.09 0.42 0.00 0.00 0.00 174.94 176.98 3kcr s THR 22 N 1.25 2.81 0.35 2.92 -4.23 -1.26 -4.77 115.64 112.70 3kcr s THR 22 Ca -0.02 0.26 0.02 0.00 -1.18 0.00 0.00 61.69 60.78 3kcr s THR 22 Cb -0.17 -2.76 0.24 0.00 1.34 0.00 0.00 72.50 71.14 3kcr s THR 22 CO -0.06 -0.34 1.98 0.15 -0.54 0.00 0.00 174.62 175.81 3kcr h PHE 23 N -1.44 0.75 -0.68 3.99 3.57 -1.99 -0.01 116.94 121.13 3kcr h PHE 23 Ca -0.48 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.00 3kcr h PHE 23 Cb 1.27 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 3kcr h PHE 23 CO 0.46 0.52 0.36 0.87 -2.23 0.00 0.00 178.31 178.28 3kcr h LYS 24 N 0.78 0.96 -0.16 1.11 1.57 -1.99 -1.23 116.57 117.61 3kcr h LYS 24 Ca 0.20 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3kcr h LYS 24 Cb 0.00 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 3kcr h LYS 24 CO -0.04 0.73 -0.09 1.49 -0.57 0.00 0.00 179.45 180.98 3kcr h GLU 25 N 0.93 0.34 -0.85 3.15 4.57 -1.77 -2.06 114.58 118.90 3kcr h GLU 25 Ca 0.24 -0.15 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 3kcr h GLU 25 Cb 0.06 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.59 3kcr h GLU 25 CO -0.04 0.67 0.53 0.87 -1.18 0.00 0.00 179.01 179.86 3kcr h LYS 26 N 0.01 0.97 -0.14 1.92 1.57 -0.82 0.46 116.57 120.53 3kcr h LYS 26 Ca 0.03 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3kcr h LYS 26 Cb 0.57 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3kcr h LYS 26 CO 0.03 0.64 -0.00 1.25 -0.57 0.00 0.00 179.45 180.79 3kcr h LEU 27 N 0.99 0.24 -0.77 2.94 6.46 -1.18 -1.46 115.31 122.53 3kcr h LEU 27 Ca 0.36 -0.31 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 3kcr h LEU 27 Cb 0.10 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 39.93 3kcr h LEU 27 CO -0.15 0.49 0.50 0.11 -0.62 0.00 0.00 178.44 178.77 3kcr h LYS 28 N -0.03 0.99 -0.77 1.25 1.57 -1.24 -0.43 116.57 117.90 3kcr h LYS 28 Ca 0.04 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3kcr h LYS 28 Cb 0.37 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3kcr h LYS 28 CO 0.01 0.65 0.32 -1.49 -0.57 0.00 0.00 179.45 178.37 3kcr h TRP 29 N 1.02 1.16 -0.76 -1.35 -0.00 -0.82 -1.24 115.95 113.96 3kcr h TRP 29 Ca 0.29 -0.08 -0.04 0.00 -0.00 0.00 0.00 58.89 59.06 3kcr h TRP 29 Cb -0.09 -0.35 -0.03 0.00 -0.00 0.00 0.00 29.16 28.69 3kcr h TRP 29 CO -0.02 0.87 0.32 1.15 -0.00 0.00 0.00 178.44 180.76 3kcr h THR 30 N 1.12 1.25 -0.28 1.49 2.02 -0.72 -3.09 112.91 114.71 3kcr h THR 30 Ca 0.26 -0.78 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 3kcr h THR 30 Cb 0.20 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3kcr h THR 30 CO -0.02 0.32 -0.21 1.23 0.37 0.00 0.00 175.52 177.21 3kcr h GLY 31 N 1.09 0.55 1.05 2.16 0.00 -0.64 -1.01 103.07 106.27 3kcr h GLY 31 Ca 0.26 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 3kcr h GLY 31 CO -0.02 0.39 0.14 1.19 0.00 0.00 0.00 176.54 178.24 3kcr h ILE 32 N 0.46 1.26 -0.68 2.60 6.09 -1.22 -2.34 117.51 123.68 3kcr h ILE 32 Ca 0.07 -0.97 -0.04 0.00 -1.37 0.00 0.00 64.86 62.55 3kcr h ILE 32 Cb 0.62 0.63 -0.03 0.00 0.47 0.00 0.00 36.82 38.51 3kcr h ILE 32 CO 0.04 0.37 0.28 0.58 -3.07 0.00 0.00 178.15 176.35 3kcr h VAL 33 N 0.98 1.24 -0.92 2.19 2.07 -1.45 -1.87 116.25 118.49 3kcr h VAL 33 Ca 0.20 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 67.01 3kcr h VAL 33 Cb 0.39 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 3kcr h VAL 33 CO 0.01 0.30 0.60 0.25 0.02 0.00 0.00 177.57 178.74 3kcr h LEU 34 N 0.97 0.99 0.04 2.57 5.85 -1.09 -1.21 115.31 123.42 3kcr h LEU 34 Ca 0.23 -0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.72 3kcr h LEU 34 Cb 0.20 -0.22 0.02 0.00 0.37 0.00 0.00 40.66 41.03 3kcr h LEU 34 CO -0.02 0.67 -0.91 0.58 -0.34 0.00 0.00 178.44 178.42 3kcr h VAL 35 N 1.15 1.35 -0.66 1.05 2.07 -1.24 -3.03 116.25 116.94 3kcr h VAL 35 Ca 0.37 -2.25 0.08 0.00 0.82 0.00 0.00 66.70 65.72 3kcr h VAL 35 Cb 0.03 2.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 3kcr h VAL 35 CO -0.13 0.68 0.44 -0.07 0.02 0.00 0.00 177.57 178.50 3kcr h LEU 36 N 0.13 0.52 0.47 2.57 3.38 -1.09 -0.98 115.31 120.31 3kcr h LEU 36 Ca -0.12 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3kcr h LEU 36 Cb 1.60 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.26 3kcr h LEU 36 CO 0.18 0.32 -0.23 0.22 0.09 0.00 0.00 178.44 179.03 3kcr h TYR 37 N 0.58 -0.58 -0.23 1.13 3.20 -1.22 -2.77 116.97 117.08 3kcr h TYR 37 Ca 0.30 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 3kcr h TYR 37 Cb 0.40 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3kcr h TYR 37 CO -0.00 -0.34 -0.13 0.74 -1.64 0.00 0.00 178.16 176.79 3kcr h PHE 38 N -0.68 0.41 -0.22 -3.82 0.05 -1.35 -2.29 116.94 109.04 3kcr h PHE 38 Ca -0.06 -0.06 0.03 0.00 3.82 0.00 0.00 57.97 61.70 3kcr h PHE 38 Cb 0.51 -0.11 -0.03 0.00 2.00 0.00 0.00 35.95 38.32 3kcr h PHE 38 CO -0.03 0.51 0.05 0.82 -0.18 0.00 0.00 178.31 179.48 3kcr h ILE 39 N 0.36 0.91 0.00 -0.55 1.08 -1.20 -2.52 117.51 115.59 3kcr h ILE 39 Ca 0.07 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.49 3kcr h ILE 39 Cb 0.45 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 3kcr h ILE 39 CO 0.03 0.03 0.00 0.24 -0.69 0.00 0.00 178.15 177.75 3kcr h MET 40 N 0.14 0.00 0.00 2.37 2.86 -1.12 -1.83 114.93 117.36 3kcr h MET 40 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3kcr h MET 40 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3kcr h MET 40 CO -0.12 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.26 3kcr n GLY 41 N 0.18 -1.16 0.00 8.32 0.00 -0.96 -2.69 105.19 108.89 3kcr n GLY 41 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3kcr n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr s ILE 43 N -0.08 2.82 0.18 0.00 -1.09 -1.17 -5.09 121.20 116.79 3kcr s ILE 43 Ca 0.00 -0.74 -0.11 0.00 -2.23 0.00 0.00 60.65 57.58 3kcr s ILE 43 Cb 0.00 -2.18 -0.07 0.00 -1.58 0.00 0.00 42.46 38.63 3kcr s ILE 43 CO 0.00 0.52 0.52 -1.81 -1.23 0.00 0.00 174.94 172.95 3kcr s ASP 44 N 0.49 6.69 0.61 3.58 -0.00 -1.26 -1.93 116.67 124.84 3kcr s ASP 44 Ca -0.10 0.94 -0.19 0.00 -0.00 0.00 0.00 52.55 53.20 3kcr s ASP 44 Cb -0.16 -2.23 -0.03 0.00 -0.00 0.00 0.00 42.92 40.50 3kcr s ASP 44 CO 0.05 0.02 1.31 0.68 -0.00 0.00 0.00 175.17 177.22 3kcr s VAL 45 N -1.65 2.10 -0.37 -1.27 -7.23 -1.19 -4.81 120.40 105.98 3kcr s VAL 45 Ca 0.42 0.07 -0.28 0.00 -1.81 0.00 0.00 61.98 60.38 3kcr s VAL 45 Cb -0.13 -3.03 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 3kcr s VAL 45 CO 0.20 -0.01 1.94 -0.47 -0.31 0.00 0.00 175.10 176.45 3kcr s TYR 46 N -1.38 1.60 -0.12 2.82 5.04 -1.26 -4.91 117.35 119.15 3kcr s TYR 46 Ca 0.78 0.72 -0.07 0.00 -2.44 0.00 0.00 57.07 56.07 3kcr s TYR 46 Cb -0.38 -4.04 0.05 0.00 0.35 0.00 0.00 41.96 37.94 3kcr s TYR 46 CO 0.42 -3.02 0.28 0.99 -1.34 0.00 0.00 175.55 172.88 3kcr s THR 47 N 7.97 -0.03 0.17 4.34 2.01 -1.26 -4.64 115.64 124.19 3kcr s THR 47 Ca 0.83 0.11 -0.10 0.00 0.31 0.00 0.00 61.69 62.85 3kcr s THR 47 Cb -0.22 -0.42 0.03 0.00 0.01 0.00 0.00 72.50 71.89 3kcr s THR 47 CO 0.31 0.05 1.59 0.00 -0.69 0.00 0.00 174.62 175.87 3kcr h ALA 48 N 6.96 0.73 -1.73 7.40 0.00 -1.97 -3.39 119.26 127.26 3kcr h ALA 48 Ca -0.38 -0.35 -0.53 0.00 0.00 0.00 0.00 54.91 53.64 3kcr h ALA 48 Cb 1.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3kcr h ALA 48 CO 0.35 0.66 1.40 0.20 0.00 0.00 0.00 179.25 181.86 3kcr s GLY 49 N -3.64 0.34 0.42 0.00 0.00 -1.26 -4.81 107.32 98.37 3kcr s GLY 49 Ca -0.12 0.03 0.22 0.00 0.00 0.00 0.00 44.72 44.86 3kcr s GLY 49 CO 0.86 3.56 1.61 0.00 0.00 0.00 0.00 173.10 179.14 3kcr h ALA 50 N 15.11 0.94 -2.86 3.20 0.00 -1.94 -3.45 119.26 130.25 3kcr h ALA 50 Ca -0.31 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 53.98 3kcr h ALA 50 Cb 1.20 -0.02 0.08 0.00 0.00 0.00 0.00 17.79 19.05 3kcr h ALA 50 CO 1.10 0.12 0.78 -0.65 0.00 0.00 0.00 179.25 180.60 3kcr s GLN 51 N -3.21 4.18 -0.08 0.00 1.11 -1.26 -5.04 119.66 115.36 3kcr s GLN 51 Ca 0.06 2.46 -0.05 0.00 0.01 0.00 0.00 55.36 57.84 3kcr s GLN 51 Cb 0.06 -3.03 0.03 0.00 -1.01 0.00 0.00 33.01 29.07 3kcr s GLN 51 CO 0.67 -0.48 0.20 0.42 0.01 0.00 0.00 175.29 176.11 3kcr s ILE 52 N -0.64 -0.02 -0.54 1.08 1.01 -1.26 -4.70 121.20 116.13 3kcr s ILE 52 Ca 0.56 0.09 -0.21 0.00 0.00 0.00 0.00 60.65 61.09 3kcr s ILE 52 Cb -0.45 -0.30 0.06 0.00 0.01 0.00 0.00 42.46 41.78 3kcr s ILE 52 CO 0.54 0.04 0.74 -2.16 0.00 0.00 0.00 174.94 174.10 3kcr s PRO 53 N 0.73 3.16 0.80 2.79 0.04 -1.26 -4.95 135.00 136.32 3kcr s PRO 53 Ca -0.05 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.20 3kcr s PRO 53 Cb -0.07 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.35 3kcr s PRO 53 CO -0.04 -1.38 0.00 0.00 0.04 0.00 0.00 177.00 175.62 3kcr n ALA 54 N 6.65 0.00 -2.34 8.56 0.00 -1.26 -4.90 120.51 127.23 3kcr n ALA 54 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.22 3kcr n ALA 54 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 3kcr n ALA 54 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3kcr s ILE 55 N 0.00 0.55 -0.46 0.00 -4.36 -1.26 -5.05 121.20 110.61 3kcr s ILE 55 Ca 0.00 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.24 3kcr s ILE 55 Cb 0.00 -2.61 0.07 0.00 1.25 0.00 0.00 42.46 41.17 3kcr s ILE 55 CO 0.00 0.00 0.38 -0.36 0.24 0.00 0.00 174.94 175.20 3kcr s PHE 56 N -3.67 3.25 0.35 1.37 2.99 -1.26 -4.93 117.98 116.08 3kcr s PHE 56 Ca 0.37 -0.98 0.10 0.00 0.00 0.00 0.00 56.93 56.42 3kcr s PHE 56 Cb 0.07 -3.13 0.65 0.00 0.00 0.00 0.00 43.02 40.61 3kcr s PHE 56 CO 0.15 -0.79 1.80 1.05 -0.00 0.00 0.00 175.22 177.43 3kcr h GLU 57 N 8.71 0.13 0.02 0.44 9.09 -2.01 -3.14 114.58 127.82 3kcr h GLU 57 Ca -0.28 -0.05 -0.00 0.00 0.05 0.00 0.00 59.36 59.08 3kcr h GLU 57 Cb 1.11 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.20 3kcr h GLU 57 CO 0.86 0.45 -0.01 0.27 0.05 0.00 0.00 179.01 180.64 3kcr h PHE 58 N 0.12 -0.02 -0.52 2.06 -5.15 -1.96 -3.35 116.94 108.11 3kcr h PHE 58 Ca 0.02 -0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.77 3kcr h PHE 58 Cb 0.65 0.01 -0.02 0.00 0.22 0.00 0.00 35.95 36.80 3kcr h PHE 58 CO 0.01 0.52 0.29 2.35 -2.00 0.00 0.00 178.31 179.47 3kcr h TRP 59 N -0.57 0.71 -0.33 6.09 2.91 -1.92 -3.24 115.95 119.61 3kcr h TRP 59 Ca -0.00 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.04 3kcr h TRP 59 Cb 0.55 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.95 3kcr h TRP 59 CO 0.11 0.52 0.23 1.96 -1.03 0.00 0.00 178.44 180.23 3kcr h GLN 60 N 0.69 0.30 0.24 2.65 4.20 -1.70 -2.65 115.11 118.85 3kcr h GLN 60 Ca 0.18 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 3kcr h GLN 60 Cb 0.05 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3kcr h GLN 60 CO -0.03 0.20 -0.11 1.15 -0.67 0.00 0.00 178.83 179.36 3kcr h THR 61 N 0.31 0.78 -0.22 -0.54 2.02 -1.78 -2.41 112.91 111.07 3kcr h THR 61 Ca 0.14 -0.80 -0.18 0.00 0.77 0.00 0.00 66.41 66.34 3kcr h THR 61 Cb 0.17 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3kcr h THR 61 CO -0.03 0.16 -0.58 0.40 0.37 0.00 0.00 175.52 175.84 3kcr h ILE 62 N -0.77 1.30 0.00 3.11 5.03 -1.75 -3.11 117.51 121.31 3kcr h ILE 62 Ca -0.03 -1.81 -0.03 0.00 -0.12 0.00 0.00 64.86 62.87 3kcr h ILE 62 Cb 0.50 1.75 -0.00 0.00 -3.03 0.00 0.00 36.82 36.04 3kcr h ILE 62 CO 0.05 0.57 -0.15 0.74 -0.68 0.00 0.00 178.15 178.69 3kcr h THR 63 N 0.53 0.36 -5.72 -0.27 2.02 -1.56 -3.46 112.91 104.81 3kcr h THR 63 Ca 0.00 -0.94 -0.34 0.00 0.77 0.00 0.00 66.41 65.91 3kcr h THR 63 Cb 1.16 1.70 0.15 0.00 -1.74 0.00 0.00 68.15 69.43 3kcr h THR 63 CO 0.12 0.15 -0.79 0.00 0.37 0.00 0.00 175.52 175.36 3kcr n ALA 64 N -2.18 -2.07 -2.34 6.16 0.00 -0.96 -0.62 120.51 118.49 3kcr n ALA 64 Ca 0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 3kcr n ALA 64 Cb 0.40 -2.70 -0.10 0.00 0.00 0.00 0.00 19.45 17.05 3kcr n ALA 64 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kcr s SER 65 N -4.25 2.18 -0.17 0.00 1.04 -0.95 -4.26 113.70 107.29 3kcr s SER 65 Ca 0.05 -1.15 -0.01 0.00 0.48 0.00 0.00 55.95 55.33 3kcr s SER 65 Cb -0.01 -0.06 0.05 0.00 0.10 0.00 0.00 66.02 66.10 3kcr s SER 65 CO 0.75 -0.39 -0.02 -0.60 0.98 0.00 0.00 173.24 173.96 3kcr s ARG 66 N -3.78 1.13 0.37 4.02 6.06 -0.67 -4.69 118.95 121.40 3kcr s ARG 66 Ca 0.26 -0.45 -0.28 0.00 -2.50 0.00 0.00 55.73 52.76 3kcr s ARG 66 Cb 0.04 -1.95 -0.10 0.00 0.06 0.00 0.00 34.95 33.00 3kcr s ARG 66 CO 0.08 -0.48 1.35 0.42 -2.50 0.00 0.00 175.30 174.16 3kcr s ILE 67 N 1.72 2.52 0.00 4.11 1.01 -1.26 -2.56 121.20 126.73 3kcr s ILE 67 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.15 3kcr s ILE 67 Cb -0.16 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.00 3kcr s ILE 67 CO -0.07 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.58 3kcr n GLY 68 N 0.68 0.81 1.40 6.18 0.00 -1.26 -4.94 105.19 108.06 3kcr n GLY 68 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 3kcr n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kcr n THR 69 N -2.22 0.00 -0.17 2.61 -2.24 -1.06 -3.17 114.28 108.03 3kcr n THR 69 Ca 0.00 -0.75 -0.04 0.00 -2.27 0.00 0.00 64.05 60.99 3kcr n THR 69 Cb 0.00 -0.55 0.15 0.00 -2.10 0.00 0.00 70.33 67.83 3kcr n THR 69 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kcr h LEU 70 N 0.00 0.86 -6.22 3.22 4.07 -1.16 -2.90 115.31 113.18 3kcr h LEU 70 Ca -0.11 -0.16 -0.80 0.00 0.08 0.00 0.00 57.88 56.89 3kcr h LEU 70 Cb 0.46 -0.23 -0.28 0.00 1.08 0.00 0.00 40.66 41.69 3kcr h LEU 70 CO 0.17 0.84 0.92 2.30 -1.08 0.00 0.00 178.44 181.59 3kcr n ILE 71 N -4.26 5.89 -0.04 1.22 -5.35 -1.24 -4.43 119.36 111.15 3kcr n ILE 71 Ca 0.04 -5.96 -0.02 0.00 -0.27 0.00 0.00 62.75 56.54 3kcr n ILE 71 Cb 0.24 -1.57 0.23 0.00 -1.74 0.00 0.00 39.64 36.80 3kcr n ILE 71 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3kcr h THR 72 N 2.32 1.22 0.00 7.28 2.02 -1.48 -1.78 112.91 122.50 3kcr h THR 72 Ca 0.50 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3kcr h THR 72 Cb 0.35 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3kcr h THR 72 CO 1.16 0.32 -1.75 -0.11 0.37 0.00 0.00 175.52 175.51 3kcr n LEU 73 N -4.24 0.25 0.00 2.58 7.94 -1.26 -4.46 117.00 117.81 3kcr n LEU 73 Ca 0.02 -0.12 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 3kcr n LEU 73 Cb 0.28 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.23 3kcr n LEU 73 CO 0.40 0.06 0.00 0.61 -1.11 0.00 0.00 177.39 177.35 3kcr n GLY 74 N 1.32 2.32 0.61 -3.96 0.00 -1.24 -2.63 105.19 101.60 3kcr n GLY 74 Ca -0.02 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.87 3kcr n GLY 74 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kcr n ILE 75 N 0.00 0.00 -0.28 -0.61 2.08 0.21 -4.52 119.36 116.24 3kcr n ILE 75 Ca 0.00 -0.32 -0.12 0.00 0.56 0.00 0.00 62.75 62.87 3kcr n ILE 75 Cb 0.00 0.77 -0.10 0.00 -0.75 0.00 0.00 39.64 39.56 3kcr n ILE 75 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3kcr h GLY 76 N 4.82 -0.95 1.37 7.39 0.00 -1.52 -2.15 103.07 112.03 3kcr h GLY 76 Ca 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 47.33 48.05 3kcr h GLY 76 CO 0.00 -0.05 0.13 -2.55 0.00 0.00 0.00 176.54 174.08 3kcr h PRO 77 N -0.19 0.79 -0.59 4.80 0.11 -1.80 -0.50 132.00 134.62 3kcr h PRO 77 Ca 0.11 -0.15 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 3kcr h PRO 77 Cb 0.49 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 3kcr h PRO 77 CO -0.76 0.71 0.13 0.82 -0.21 0.00 0.00 178.00 178.68 3kcr h ILE 78 N 0.76 1.25 -0.26 4.15 2.04 -1.70 -0.81 117.51 122.95 3kcr h ILE 78 Ca 0.17 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 3kcr h ILE 78 Cb 0.27 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3kcr h ILE 78 CO -0.00 0.35 0.01 0.58 0.00 0.00 0.00 178.15 179.08 3kcr h VAL 79 N 0.86 1.25 -0.88 1.67 2.07 -1.16 -2.37 116.25 117.69 3kcr h VAL 79 Ca 0.18 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.86 3kcr h VAL 79 Cb 0.38 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 3kcr h VAL 79 CO 0.01 0.28 0.57 0.74 0.02 0.00 0.00 177.57 179.18 3kcr h THR 80 N 0.24 1.15 -0.50 2.57 2.02 -0.82 0.56 112.91 118.13 3kcr h THR 80 Ca 0.08 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 3kcr h THR 80 Cb 0.40 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3kcr h THR 80 CO 0.01 0.20 0.02 0.00 0.37 0.00 0.00 175.52 176.13 3kcr h ALA 81 N 1.36 0.67 -0.05 6.16 0.00 -1.18 -2.93 119.26 123.29 3kcr h ALA 81 Ca 0.35 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kcr h ALA 81 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kcr h ALA 81 CO -0.11 0.46 -0.22 0.78 0.00 0.00 0.00 179.25 180.16 3kcr h GLY 82 N 0.74 0.09 0.53 0.00 0.00 -0.79 -2.32 103.07 101.31 3kcr h GLY 82 Ca 0.15 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.43 3kcr h GLY 82 CO 0.02 0.05 -0.29 -2.22 0.00 0.00 0.00 176.54 174.10 3kcr h ILE 83 N 0.08 0.37 -0.56 2.60 2.04 -0.86 -2.54 117.51 118.64 3kcr h ILE 83 Ca 0.01 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 3kcr h ILE 83 Cb 0.43 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3kcr h ILE 83 CO 0.03 0.00 0.04 0.40 0.00 0.00 0.00 178.15 178.62 3kcr h ILE 84 N -0.54 1.25 -0.51 -0.67 2.04 -1.27 -0.43 117.51 117.39 3kcr h ILE 84 Ca 0.02 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.73 3kcr h ILE 84 Cb 0.55 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3kcr h ILE 84 CO -0.15 0.38 -0.14 0.24 0.00 0.00 0.00 178.15 178.49 3kcr h MET 85 N 0.88 0.99 -0.28 2.37 2.86 -1.46 -2.20 114.93 118.10 3kcr h MET 85 Ca 0.17 -0.39 -0.04 0.00 -2.06 0.00 0.00 59.70 57.39 3kcr h MET 85 Cb 0.46 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3kcr h MET 85 CO 0.02 1.06 0.01 1.96 1.06 0.00 0.00 176.91 181.02 3kcr h GLN 86 N 0.86 0.42 -0.21 1.72 1.08 -1.23 -1.38 115.11 116.37 3kcr h GLN 86 Ca 0.13 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3kcr h GLN 86 Cb 0.70 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 3kcr h GLN 86 CO 0.05 0.44 0.09 -0.07 -0.95 0.00 0.00 178.83 178.40 3kcr h LEU 87 N 0.41 0.28 0.08 1.46 3.38 -0.88 -2.18 115.31 117.86 3kcr h LEU 87 Ca 0.09 -0.14 -0.33 0.00 0.09 0.00 0.00 57.88 57.59 3kcr h LEU 87 Cb 0.25 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3kcr h LEU 87 CO 0.01 0.35 -1.85 -0.07 0.09 0.00 0.00 178.44 176.96 3kcr h LEU 88 N 0.20 0.27 0.00 1.67 3.38 -1.15 -2.35 115.31 117.34 3kcr h LEU 88 Ca 0.07 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 3kcr h LEU 88 Cb 0.14 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kcr h LEU 88 CO -0.01 1.52 -0.73 0.58 0.09 0.00 0.00 178.44 179.89 3kcr h VAL 89 N 0.05 0.03 0.00 1.22 2.07 -1.40 -0.66 116.25 117.56 3kcr h VAL 89 Ca -0.36 -1.05 -0.24 0.00 0.82 0.00 0.00 66.70 65.87 3kcr h VAL 89 Cb 2.03 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 33.43 3kcr h VAL 89 CO 0.09 0.02 -1.40 1.23 0.02 0.00 0.00 177.57 177.53 3kcr h GLY 90 N 3.98 0.00 2.00 2.17 0.00 -1.46 -3.24 103.07 106.53 3kcr h GLY 90 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3kcr h GLY 90 CO 0.00 0.00 -0.02 1.48 0.00 0.00 0.00 176.54 178.00 3kcr h SER 91 N 0.00 0.00 0.00 0.19 4.64 -1.51 -3.45 113.55 113.42 3kcr h SER 91 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3kcr h SER 91 Cb 1.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 3kcr h SER 91 CO 0.09 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 3kcr n GLY 92 N 1.02 0.57 0.16 -0.77 0.00 -1.22 -4.94 105.19 100.00 3kcr n GLY 92 Ca 0.04 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 3kcr n GLY 92 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kcr h ILE 93 N 0.00 1.23 -3.46 -0.61 2.04 -1.77 -3.29 117.51 111.66 3kcr h ILE 93 Ca 0.00 -0.79 -0.63 0.00 1.00 0.00 0.00 64.86 64.44 3kcr h ILE 93 Cb 0.00 1.19 -0.17 0.00 -0.74 0.00 0.00 36.82 37.10 3kcr h ILE 93 CO 0.00 0.26 -0.57 -0.63 0.00 0.00 0.00 178.15 177.21 3kcr s ILE 94 N -5.19 4.77 -0.42 -0.67 1.01 -0.28 -5.04 121.20 115.38 3kcr s ILE 94 Ca -0.13 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 3kcr s ILE 94 Cb 0.08 -3.19 0.04 0.00 0.01 0.00 0.00 42.46 39.40 3kcr s ILE 94 CO 0.75 0.40 0.31 -1.10 0.00 0.00 0.00 174.94 175.30 3kcr s GLN 95 N 0.85 2.93 -0.02 2.79 -0.21 -1.24 -4.05 119.66 120.70 3kcr s GLN 95 Ca 0.04 -1.16 0.05 0.00 0.02 0.00 0.00 55.36 54.32 3kcr s GLN 95 Cb -0.13 -3.98 -0.03 0.00 1.00 0.00 0.00 33.01 29.87 3kcr s GLN 95 CO 0.02 -0.84 -0.17 -1.64 -2.12 0.00 0.00 175.29 170.55 3kcr s MET 96 N 1.63 2.34 -0.27 2.91 -1.94 -1.26 -5.09 119.30 117.63 3kcr s MET 96 Ca 0.04 -0.80 -0.01 0.00 -1.71 0.00 0.00 55.69 53.21 3kcr s MET 96 Cb -0.21 -2.28 0.04 0.00 2.01 0.00 0.00 34.83 34.38 3kcr s MET 96 CO 0.08 0.59 -0.05 0.34 -0.01 0.00 0.00 175.02 175.98 3kcr s ASP 97 N -0.89 4.49 -0.01 3.03 -1.08 -1.26 -4.99 116.67 115.97 3kcr s ASP 97 Ca 0.12 -1.05 0.14 0.00 -0.52 0.00 0.00 52.55 51.24 3kcr s ASP 97 Cb -0.10 -1.67 0.41 0.00 -1.46 0.00 0.00 42.92 40.10 3kcr s ASP 97 CO 0.01 -0.17 1.34 0.18 0.52 0.00 0.00 175.17 177.05 3kcr n LEU 98 N 4.63 2.53 -0.17 -1.34 4.77 -1.26 -4.26 117.00 121.90 3kcr n LEU 98 Ca -0.15 -1.27 -0.07 0.00 -0.03 0.00 0.00 56.01 54.49 3kcr n LEU 98 Cb 0.45 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3kcr n LEU 98 CO 0.26 0.61 1.08 0.77 -1.33 0.00 0.00 177.39 178.79 3kcr h SER 99 N 2.69 0.59 -3.95 -1.43 4.64 -1.94 -3.16 113.55 111.00 3kcr h SER 99 Ca 0.00 -0.02 -0.53 0.00 -0.47 0.00 0.00 61.79 60.77 3kcr h SER 99 Cb 0.65 -0.15 0.09 0.00 -0.31 0.00 0.00 62.40 62.69 3kcr h SER 99 CO 0.01 0.43 0.65 0.27 -0.87 0.00 0.00 176.83 177.32 3kcr s ILE 100 N -6.14 2.44 0.41 0.95 -4.36 -1.26 -4.90 121.20 108.34 3kcr s ILE 100 Ca -0.13 0.40 0.39 0.00 -0.26 0.00 0.00 60.65 61.05 3kcr s ILE 100 Cb 0.12 -3.24 0.39 0.00 1.25 0.00 0.00 42.46 40.98 3kcr s ILE 100 CO 0.74 0.06 2.18 -0.65 0.24 0.00 0.00 174.94 177.51 3kcr h PRO 101 N 2.66 0.00 0.52 0.37 0.11 -1.96 -2.01 132.00 131.70 3kcr h PRO 101 Ca -0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3kcr h PRO 101 Cb 1.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.36 3kcr h PRO 101 CO 0.62 0.00 -0.25 1.49 -0.21 0.00 0.00 178.00 179.65 3kcr h GLU 102 N 0.00 -0.68 0.00 1.05 4.81 -1.90 -1.91 114.58 115.95 3kcr h GLU 102 Ca 0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3kcr h GLU 102 Cb 0.06 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3kcr h GLU 102 CO 0.00 -0.45 0.00 -0.91 -0.73 0.00 0.00 179.01 176.92 3kcr h ASN 103 N -0.81 0.00 0.03 1.04 4.21 -1.77 0.11 115.58 118.39 3kcr h ASN 103 Ca -0.07 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.44 3kcr h ASN 103 Cb 0.54 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 3kcr h ASN 103 CO 0.12 0.00 -0.01 -0.09 -1.29 0.00 0.00 177.43 176.15 3kcr h ARG 104 N 0.00 -0.04 -0.09 0.81 2.43 -1.33 -0.52 114.38 115.64 3kcr h ARG 104 Ca 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3kcr h ARG 104 Cb 0.70 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3kcr h ARG 104 CO 0.00 0.30 -0.36 0.00 -1.51 0.00 0.00 179.97 178.40 3kcr h ALA 105 N 0.59 1.23 0.00 2.80 0.00 -1.08 -2.18 119.26 120.61 3kcr h ALA 105 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3kcr h ALA 105 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kcr h ALA 105 CO 0.01 0.53 -0.30 -0.07 0.00 0.00 0.00 179.25 179.41 3kcr h LEU 106 N 0.17 0.00 -0.12 0.00 3.38 -0.79 0.27 115.31 118.21 3kcr h LEU 106 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3kcr h LEU 106 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kcr h LEU 106 CO 0.05 0.06 -0.02 0.15 0.09 0.00 0.00 178.44 178.78 3kcr h PHE 107 N 0.00 0.25 0.01 1.13 3.57 -0.87 -3.13 116.94 117.89 3kcr h PHE 107 Ca -0.00 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 3kcr h PHE 107 Cb 1.05 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3kcr h PHE 107 CO 0.00 0.51 -0.00 0.37 -2.23 0.00 0.00 178.31 176.95 3kcr h GLN 108 N -0.08 -0.01 -0.05 1.11 5.75 -1.33 -2.68 115.11 117.82 3kcr h GLN 108 Ca 0.03 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 3kcr h GLN 108 Cb 0.42 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 3kcr h GLN 108 CO 0.01 0.64 -0.29 0.78 -2.65 0.00 0.00 178.83 177.32 3kcr h GLY 109 N -0.66 0.09 0.75 2.39 0.00 -0.63 -0.31 103.07 104.71 3kcr h GLY 109 Ca -0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 3kcr h GLY 109 CO 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 176.54 176.45 3kcr h GLN 111 N 0.00 1.16 -0.67 0.00 4.15 -1.10 -0.03 115.11 118.62 3kcr h GLN 111 Ca 0.02 -0.16 0.01 0.00 0.77 0.00 0.00 58.65 59.29 3kcr h GLN 111 Cb 0.69 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 3kcr h GLN 111 CO 0.04 0.88 0.45 -0.22 -1.93 0.00 0.00 178.83 178.04 3kcr h LYS 112 N 1.16 0.88 -0.29 1.69 3.64 -1.09 0.20 116.57 122.77 3kcr h LYS 112 Ca 0.28 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3kcr h LYS 112 Cb 0.09 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3kcr h LYS 112 CO -0.04 0.58 0.11 1.25 -2.27 0.00 0.00 179.45 179.08 3kcr h LEU 113 N 0.91 0.41 -1.75 5.20 7.12 -0.91 -2.00 115.31 124.29 3kcr h LEU 113 Ca 0.25 -0.18 -0.04 0.00 0.13 0.00 0.00 57.88 58.05 3kcr h LEU 113 Cb -0.10 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 39.92 3kcr h LEU 113 CO -0.06 0.48 -0.17 0.25 -0.13 0.00 0.00 178.44 178.81 3kcr h LEU 114 N 0.32 0.00 -0.52 2.25 5.85 -0.95 -2.40 115.31 119.86 3kcr h LEU 114 Ca 0.10 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3kcr h LEU 114 Cb 0.20 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3kcr h LEU 114 CO -0.01 0.17 0.33 -1.28 -0.34 0.00 0.00 178.44 177.31 3kcr h SER 115 N 0.00 0.55 -0.58 1.25 0.87 0.13 0.55 113.55 116.31 3kcr h SER 115 Ca -0.00 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 3kcr h SER 115 Cb 0.35 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 3kcr h SER 115 CO 0.02 0.39 0.11 0.40 -0.53 0.00 0.00 176.83 177.22 3kcr h ILE 116 N 0.66 1.25 -0.25 2.23 2.04 -1.31 -1.28 117.51 120.85 3kcr h ILE 116 Ca 0.20 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3kcr h ILE 116 Cb -0.02 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3kcr h ILE 116 CO -0.07 0.36 0.08 0.40 0.00 0.00 0.00 178.15 178.92 3kcr h ILE 117 N 0.94 1.20 -0.42 -0.67 2.04 -0.87 -2.76 117.51 116.97 3kcr h ILE 117 Ca 0.19 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3kcr h ILE 117 Cb 0.39 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3kcr h ILE 117 CO 0.01 0.20 0.22 0.24 0.00 0.00 0.00 178.15 178.82 3kcr h MET 118 N 0.23 0.57 -0.56 2.37 2.86 -0.84 -2.00 114.93 117.56 3kcr h MET 118 Ca 0.08 -0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.76 3kcr h MET 118 Cb 0.24 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 3kcr h MET 118 CO -0.00 0.43 0.15 0.00 1.06 0.00 0.00 176.91 178.55 3kcr h PHE 120 N 0.30 0.47 -0.32 0.00 -1.00 -1.56 -2.81 116.94 112.02 3kcr h PHE 120 Ca 0.29 -0.34 -0.00 0.00 2.81 0.00 0.00 57.97 60.72 3kcr h PHE 120 Cb 0.39 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 3kcr h PHE 120 CO -0.21 1.30 0.18 0.28 -1.61 0.00 0.00 178.31 178.25 3kcr h VAL 121 N 0.07 1.13 -0.74 -0.55 2.07 -1.00 -0.91 116.25 116.31 3kcr h VAL 121 Ca -0.16 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 3kcr h VAL 121 Cb 1.98 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 3kcr h VAL 121 CO 0.19 0.13 0.37 -0.33 0.02 0.00 0.00 177.57 177.94 3kcr h GLU 122 N 0.40 1.05 -0.42 1.57 4.39 -0.92 -1.42 114.58 119.23 3kcr h GLU 122 Ca 0.11 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3kcr h GLU 122 Cb 0.04 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 3kcr h GLU 122 CO -0.02 0.80 0.21 0.00 -1.16 0.00 0.00 179.01 178.84 3kcr h ALA 123 N 1.35 0.54 -0.36 3.43 0.00 -1.15 -0.87 119.26 122.20 3kcr h ALA 123 Ca 0.26 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3kcr h ALA 123 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kcr h ALA 123 CO -0.03 0.09 -0.09 0.28 0.00 0.00 0.00 179.25 179.50 3kcr h VAL 124 N 0.54 1.28 -0.92 0.00 2.07 -1.18 -3.17 116.25 114.86 3kcr h VAL 124 Ca 0.14 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.52 3kcr h VAL 124 Cb 0.11 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3kcr h VAL 124 CO -0.02 0.38 0.60 0.25 0.02 0.00 0.00 177.57 178.81 3kcr h LEU 125 N 0.50 1.06 0.08 2.57 5.85 -1.15 -1.49 115.31 122.74 3kcr h LEU 125 Ca 0.09 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3kcr h LEU 125 Cb 0.60 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3kcr h LEU 125 CO 0.04 0.78 -0.04 0.15 -0.34 0.00 0.00 178.44 179.02 3kcr h PHE 126 N 1.25 -0.10 -0.12 1.25 3.57 -1.15 -1.39 116.94 120.25 3kcr h PHE 126 Ca 0.34 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.69 3kcr h PHE 126 Cb -0.13 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3kcr h PHE 126 CO 0.00 0.02 -0.54 -0.24 -2.23 0.00 0.00 178.31 175.32 3kcr h VAL 127 N -0.20 1.35 0.00 1.41 3.04 -1.52 -2.70 116.25 117.63 3kcr h VAL 127 Ca -0.01 -1.81 -0.01 0.00 -1.01 0.00 0.00 66.70 63.86 3kcr h VAL 127 Cb 0.17 1.84 -0.00 0.00 -2.01 0.00 0.00 31.29 31.29 3kcr h VAL 127 CO 0.02 0.55 -0.05 1.23 -1.01 0.00 0.00 177.57 178.31 3kcr h GLY 128 N 1.27 0.00 -0.96 3.17 0.00 -1.23 -1.69 103.07 103.63 3kcr h GLY 128 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3kcr h GLY 128 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.63 3kcr n ALA 129 N -2.53 2.48 -3.29 3.60 0.00 -0.53 -4.67 120.51 115.58 3kcr n ALA 129 Ca -0.03 -0.45 -0.16 0.00 0.00 0.00 0.00 53.44 52.81 3kcr n ALA 129 Cb 0.13 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 18.67 3kcr n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcr n GLY 130 N 0.86 -1.05 1.22 0.00 0.00 -0.63 -4.79 105.19 100.79 3kcr n GLY 130 Ca 0.08 0.52 0.08 0.00 0.00 0.00 0.00 46.02 46.70 3kcr n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr n ALA 131 N -3.38 2.92 0.00 4.61 0.00 -1.18 -4.37 120.51 119.12 3kcr n ALA 131 Ca -0.10 -1.72 0.00 0.00 0.00 0.00 0.00 53.44 51.62 3kcr n ALA 131 Cb 0.63 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.27 3kcr n ALA 131 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kcr n PHE 132 N 0.51 0.00 -0.99 0.00 3.01 -1.26 -4.67 117.46 114.06 3kcr n PHE 132 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.68 3kcr n PHE 132 Cb 0.81 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.28 3kcr n PHE 132 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kcr n GLY 133 N 0.01 0.79 3.01 1.37 0.00 -1.26 -4.21 105.19 104.90 3kcr n GLY 133 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kcr n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kcr s ILE 134 N -3.21 1.43 -0.30 -0.61 1.01 -1.26 -5.01 121.20 113.25 3kcr s ILE 134 Ca 0.00 -0.57 0.08 0.00 0.00 0.00 0.00 60.65 60.16 3kcr s ILE 134 Cb 0.00 -1.34 0.47 0.00 0.01 0.00 0.00 42.46 41.60 3kcr s ILE 134 CO 0.00 0.43 1.39 0.18 0.00 0.00 0.00 174.94 176.94 3kcr n LEU 135 N 4.56 4.23 -4.62 2.97 4.32 -1.26 -4.76 117.00 122.44 3kcr n LEU 135 Ca -0.17 -4.08 -0.43 0.00 -0.02 0.00 0.00 56.01 51.31 3kcr n LEU 135 Cb 0.51 -0.57 -0.03 0.00 -1.62 0.00 0.00 43.42 41.71 3kcr n LEU 135 CO 0.22 1.51 1.68 -0.89 -1.22 0.00 0.00 177.39 178.69 3kcr s THR 136 N -3.67 3.19 0.49 -5.08 2.01 -1.26 -4.89 115.64 106.42 3kcr s THR 136 Ca 0.46 0.20 0.16 0.00 0.31 0.00 0.00 61.69 62.82 3kcr s THR 136 Cb 0.41 -3.21 0.23 0.00 0.01 0.00 0.00 72.50 69.94 3kcr s THR 136 CO -0.01 -0.11 2.08 1.55 -0.69 0.00 0.00 174.62 177.44 3kcr h PRO 137 N 13.12 0.00 0.30 4.92 0.13 -1.97 0.40 132.00 148.89 3kcr h PRO 137 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 3kcr h PRO 137 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3kcr h PRO 137 CO 0.97 0.09 -0.14 1.25 -0.23 0.00 0.00 178.00 179.94 3kcr h LEU 138 N 0.00 -0.34 -0.67 1.56 5.85 -1.99 -2.18 115.31 117.54 3kcr h LEU 138 Ca -0.00 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 3kcr h LEU 138 Cb 0.16 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3kcr h LEU 138 CO 0.01 -0.05 -0.32 0.25 -0.34 0.00 0.00 178.44 177.99 3kcr h LEU 139 N -0.63 0.70 -0.58 2.25 5.85 -1.84 -2.31 115.31 118.75 3kcr h LEU 139 Ca -0.04 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.42 3kcr h LEU 139 Cb 0.45 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3kcr h LEU 139 CO 0.07 0.97 0.36 0.00 -0.34 0.00 0.00 178.44 179.50 3kcr h ALA 140 N 1.07 0.75 -0.41 1.25 0.00 -1.02 -0.73 119.26 120.17 3kcr h ALA 140 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kcr h ALA 140 Cb 0.83 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3kcr h ALA 140 CO 0.07 0.10 0.25 0.74 0.00 0.00 0.00 179.25 180.41 3kcr h PHE 141 N 0.72 0.53 -0.69 0.00 -1.00 -1.12 -1.62 116.94 113.76 3kcr h PHE 141 Ca 0.23 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.03 3kcr h PHE 141 Cb 0.00 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 39.35 3kcr h PHE 141 CO -0.05 0.36 0.45 -0.07 -1.61 0.00 0.00 178.31 177.39 3kcr h LEU 142 N 0.54 0.77 -0.47 1.54 3.38 -1.03 -2.81 115.31 117.23 3kcr h LEU 142 Ca 0.15 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3kcr h LEU 142 Cb -0.02 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3kcr h LEU 142 CO -0.03 0.55 0.06 0.58 0.09 0.00 0.00 178.44 179.69 3kcr h VAL 143 N 0.91 1.25 -0.89 1.22 2.07 -0.96 -2.94 116.25 116.91 3kcr h VAL 143 Ca 0.26 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.90 3kcr h VAL 143 Cb -0.07 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 3kcr h VAL 143 CO -0.07 0.33 0.58 0.40 0.02 0.00 0.00 177.57 178.83 3kcr h ILE 144 N 0.65 1.07 0.23 4.57 2.04 -1.12 -0.83 117.51 124.12 3kcr h ILE 144 Ca 0.14 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3kcr h ILE 144 Cb 0.41 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3kcr h ILE 144 CO 0.01 0.19 -0.23 0.40 0.00 0.00 0.00 178.15 178.52 3kcr h ILE 145 N 1.02 0.51 -0.61 -0.67 1.08 -1.33 -2.54 117.51 114.97 3kcr h ILE 145 Ca 0.38 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.79 3kcr h ILE 145 Cb 0.18 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 3kcr h ILE 145 CO -0.14 0.00 0.16 1.56 -0.69 0.00 0.00 178.15 179.04 3kcr h GLN 146 N -0.49 0.96 -0.24 2.37 4.20 -1.29 -1.80 115.11 118.83 3kcr h GLN 146 Ca -0.00 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.46 3kcr h GLN 146 Cb 0.45 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3kcr h GLN 146 CO -0.05 0.87 0.05 0.82 -0.67 0.00 0.00 178.83 179.85 3kcr h ILE 147 N 0.88 1.22 -0.27 2.54 1.08 -1.15 -2.77 117.51 119.04 3kcr h ILE 147 Ca 0.19 -0.72 -0.10 0.00 -0.39 0.00 0.00 64.86 63.84 3kcr h ILE 147 Cb 0.33 1.24 -0.00 0.00 -3.07 0.00 0.00 36.82 35.32 3kcr h ILE 147 CO -0.00 0.23 -0.23 0.00 -0.69 0.00 0.00 178.15 177.46 3kcr h ALA 148 N 0.86 0.39 -0.82 1.87 0.00 -1.47 -3.23 119.26 116.85 3kcr h ALA 148 Ca 0.07 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.66 3kcr h ALA 148 Cb 0.30 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3kcr h ALA 148 CO 0.00 0.35 0.54 0.35 0.00 0.00 0.00 179.25 180.49 3kcr h PHE 149 N 0.35 0.96 -0.11 0.00 3.57 -1.35 -1.15 116.94 119.21 3kcr h PHE 149 Ca 0.05 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3kcr h PHE 149 Cb 0.78 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3kcr h PHE 149 CO 0.07 0.53 -0.32 0.78 -2.23 0.00 0.00 178.31 177.15 3kcr h GLY 150 N 0.97 0.22 1.44 2.40 0.00 -1.55 -0.41 103.07 106.14 3kcr h GLY 150 Ca 0.34 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 3kcr h GLY 150 CO -0.11 0.17 -0.25 0.23 0.00 0.00 0.00 176.54 176.57 3kcr h SER 151 N 0.18 0.65 -0.76 0.19 0.87 -1.35 -2.61 113.55 110.71 3kcr h SER 151 Ca 0.02 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.36 3kcr h SER 151 Cb 0.66 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 3kcr h SER 151 CO 0.05 0.88 0.50 0.40 -0.53 0.00 0.00 176.83 178.13 3kcr h ILE 152 N 0.56 1.19 -0.65 2.23 1.08 -0.64 -0.98 117.51 120.29 3kcr h ILE 152 Ca 0.08 -0.35 0.07 0.00 -0.39 0.00 0.00 64.86 64.26 3kcr h ILE 152 Cb 0.73 0.07 -0.06 0.00 -3.07 0.00 0.00 36.82 34.49 3kcr h ILE 152 CO 0.06 0.19 0.34 0.40 -0.69 0.00 0.00 178.15 178.45 3kcr h ILE 153 N 1.03 0.93 -0.03 -0.67 2.04 -1.07 -1.91 117.51 117.82 3kcr h ILE 153 Ca 0.28 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.86 3kcr h ILE 153 Cb -0.11 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 3kcr h ILE 153 CO -0.07 0.11 -0.31 -0.07 0.00 0.00 0.00 178.15 177.81 3kcr h LEU 154 N 0.63 0.06 -0.38 1.44 3.38 -1.02 0.23 115.31 119.65 3kcr h LEU 154 Ca 0.30 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3kcr h LEU 154 Cb 0.23 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3kcr h LEU 154 CO -0.21 0.38 0.25 0.40 0.09 0.00 0.00 178.44 179.35 3kcr h ILE 155 N 0.05 1.11 -0.18 1.22 2.04 -0.53 -1.25 117.51 119.97 3kcr h ILE 155 Ca 0.01 -0.21 -0.19 0.00 1.00 0.00 0.00 64.86 65.47 3kcr h ILE 155 Cb 0.59 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3kcr h ILE 155 CO 0.04 0.10 -0.66 1.88 0.00 0.00 0.00 178.15 179.51 3kcr h TYR 156 N 0.51 0.87 -0.21 1.37 0.99 -0.83 -2.76 116.97 116.92 3kcr h TYR 156 Ca 0.14 -0.35 -0.06 0.00 2.00 0.00 0.00 58.73 60.46 3kcr h TYR 156 Cb -0.04 -0.15 -0.01 0.00 1.00 0.00 0.00 36.73 37.52 3kcr h TYR 156 CO -0.05 1.14 -0.14 -0.07 -0.00 0.00 0.00 178.16 179.05 3kcr h LEU 157 N 0.49 0.32 0.08 3.88 3.38 -0.54 -1.68 115.31 121.23 3kcr h LEU 157 Ca -0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kcr h LEU 157 Cb 1.25 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3kcr h LEU 157 CO 0.13 0.50 -0.06 -0.78 0.09 0.00 0.00 178.44 178.32 3kcr h ASP 158 N 0.32 -0.16 -0.99 -0.43 3.58 -1.10 -2.11 116.42 115.54 3kcr h ASP 158 Ca 0.06 0.01 0.11 0.00 0.42 0.00 0.00 57.03 57.63 3kcr h ASP 158 Cb 0.44 0.05 -0.08 0.00 1.72 0.00 0.00 39.33 41.47 3kcr h ASP 158 CO 0.03 -0.10 0.63 -0.33 -2.88 0.00 0.00 179.24 176.59 3kcr h GLU 159 N -0.14 0.98 0.23 0.28 5.08 -1.18 0.16 114.58 119.99 3kcr h GLU 159 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3kcr h GLU 159 Cb 0.13 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3kcr h GLU 159 CO -0.01 0.65 -0.11 0.82 -1.00 0.00 0.00 179.01 179.36 3kcr h ILE 160 N 1.01 0.82 -0.72 3.13 2.04 -1.15 -2.48 117.51 120.15 3kcr h ILE 160 Ca 0.48 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 3kcr h ILE 160 Cb 0.43 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 3kcr h ILE 160 CO -0.24 0.06 0.32 0.58 0.00 0.00 0.00 178.15 178.87 3kcr h VAL 161 N -0.45 1.24 0.00 1.67 2.07 -0.95 0.38 116.25 120.20 3kcr h VAL 161 Ca -0.03 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3kcr h VAL 161 Cb 0.34 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3kcr h VAL 161 CO 0.05 0.29 0.00 -1.20 0.02 0.00 0.00 177.57 176.74 3kcr n SER 162 N -4.31 0.00 0.00 0.57 7.64 0.53 -2.04 113.62 116.01 3kcr n SER 162 Ca 0.07 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.36 3kcr n SER 162 Cb 0.16 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 3kcr n SER 162 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kcr n LYS 163 N -1.43 3.77 0.00 1.43 5.02 -0.67 -4.87 118.16 121.41 3kcr n LYS 163 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3kcr n LYS 163 Cb 0.05 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 3kcr n LYS 163 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3kcr n TYR 164 N -0.27 0.00 -1.97 2.13 4.02 0.13 -4.86 117.16 116.33 3kcr n TYR 164 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 3kcr n TYR 164 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3kcr n TYR 164 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kcr n GLY 165 N -0.04 5.32 3.20 2.72 0.00 -0.87 -4.11 105.19 111.42 3kcr n GLY 165 Ca 0.00 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 3kcr n GLY 165 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kcr s ILE 166 N 0.82 1.66 0.06 -0.61 1.01 -1.25 -4.88 121.20 118.01 3kcr s ILE 166 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3kcr s ILE 166 Cb 0.00 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 41.07 3kcr s ILE 166 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3kcr n GLY 167 N 2.87 -1.66 3.91 6.18 0.00 -1.26 -4.87 105.19 110.36 3kcr n GLY 167 Ca -0.17 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 3kcr n GLY 167 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kcr s SER 168 N -4.27 6.25 0.09 1.61 0.15 -1.26 -4.31 113.70 111.96 3kcr s SER 168 Ca 0.00 0.21 -0.34 0.00 0.70 0.00 0.00 55.95 56.52 3kcr s SER 168 Cb 0.00 -1.89 -0.15 0.00 -1.71 0.00 0.00 66.02 62.27 3kcr s SER 168 CO 0.00 0.14 1.58 1.23 1.20 0.00 0.00 173.24 177.40 3kcr h GLY 169 N 2.90 -1.09 0.95 9.45 0.00 -1.88 -1.92 103.07 111.47 3kcr h GLY 169 Ca -0.46 0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.41 3kcr h GLY 169 CO 0.73 -0.34 0.30 -2.22 0.00 0.00 0.00 176.54 175.01 3kcr h ILE 170 N -0.90 1.09 0.06 2.60 2.04 -1.93 0.36 117.51 120.83 3kcr h ILE 170 Ca -0.04 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.63 3kcr h ILE 170 Cb 0.80 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3kcr h ILE 170 CO -0.08 0.11 -0.27 1.23 0.00 0.00 0.00 178.15 179.14 3kcr h GLY 171 N 0.61 -0.47 0.87 5.37 0.00 -1.99 -3.00 103.07 104.47 3kcr h GLY 171 Ca 0.18 0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.86 3kcr h GLY 171 CO -0.06 -0.22 0.31 -2.00 0.00 0.00 0.00 176.54 174.57 3kcr h LEU 172 N -0.45 0.51 -0.78 3.11 5.85 -0.64 -2.15 115.31 120.75 3kcr h LEU 172 Ca 0.04 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3kcr h LEU 172 Cb 0.50 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3kcr h LEU 172 CO -0.19 0.36 0.35 -0.26 -0.34 0.00 0.00 178.44 178.36 3kcr h PHE 173 N 0.62 1.15 -0.20 1.25 0.05 -0.94 0.20 116.94 119.08 3kcr h PHE 173 Ca 0.21 -0.07 -0.02 0.00 3.82 0.00 0.00 57.97 61.91 3kcr h PHE 173 Cb 0.02 -0.35 -0.01 0.00 2.00 0.00 0.00 35.95 37.61 3kcr h PHE 173 CO -0.06 0.86 0.05 0.82 -0.18 0.00 0.00 178.31 179.79 3kcr h ILE 174 N 1.12 1.21 -0.77 -0.55 2.04 -1.35 -1.59 117.51 117.61 3kcr h ILE 174 Ca 0.27 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 3kcr h ILE 174 Cb 0.16 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3kcr h ILE 174 CO -0.03 0.21 0.33 0.00 0.00 0.00 0.00 178.15 178.66 3kcr h ALA 175 N 0.86 1.00 -0.37 1.87 0.00 -1.12 -1.93 119.26 119.58 3kcr h ALA 175 Ca 0.06 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3kcr h ALA 175 Cb 0.28 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 3kcr h ALA 175 CO 0.00 0.61 -0.13 0.00 0.00 0.00 0.00 179.25 179.73 3kcr h ALA 176 N 1.17 0.18 -0.16 0.00 0.00 -0.58 -1.61 119.26 118.26 3kcr h ALA 176 Ca 0.26 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 3kcr h ALA 176 Cb 0.18 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kcr h ALA 176 CO -0.03 -0.50 -0.41 0.78 0.00 0.00 0.00 179.25 179.10 3kcr h GLY 177 N -0.05 0.62 0.95 0.00 0.00 -0.93 -2.16 103.07 101.49 3kcr h GLY 177 Ca 0.18 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 3kcr h GLY 177 CO -0.41 0.69 0.08 -2.08 0.00 0.00 0.00 176.54 174.83 3kcr h VAL 178 N 0.21 1.24 -0.45 4.60 2.07 -1.38 -1.37 116.25 121.18 3kcr h VAL 178 Ca -0.01 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.68 3kcr h VAL 178 Cb 1.02 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3kcr h VAL 178 CO 0.09 0.30 0.25 0.28 0.02 0.00 0.00 177.57 178.51 3kcr h SER 179 N 0.56 0.40 -0.51 0.57 0.02 -1.30 -2.11 113.55 111.19 3kcr h SER 179 Ca 0.13 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 3kcr h SER 179 Cb 0.36 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3kcr h SER 179 CO 0.01 0.29 0.02 -0.61 -1.14 0.00 0.00 176.83 175.39 3kcr h GLN 180 N 0.51 0.88 -0.99 3.45 -0.00 -1.36 -2.16 115.11 115.44 3kcr h GLN 180 Ca 0.18 -0.27 0.09 0.00 -0.00 0.00 0.00 58.65 58.65 3kcr h GLN 180 Cb 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 27.48 27.36 3kcr h GLN 180 CO -0.09 0.90 0.63 1.15 0.00 0.00 0.00 178.83 181.42 3kcr h THR 181 N 0.75 1.02 0.25 2.39 2.02 -0.91 -2.01 112.91 116.42 3kcr h THR 181 Ca 0.15 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3kcr h THR 181 Cb 0.49 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3kcr h THR 181 CO 0.02 0.20 -0.12 0.40 0.37 0.00 0.00 175.52 176.39 3kcr h ILE 182 N 1.08 0.76 -0.66 3.11 2.04 -1.27 -0.94 117.51 121.63 3kcr h ILE 182 Ca 0.45 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 3kcr h ILE 182 Cb 0.30 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3kcr h ILE 182 CO -0.20 0.15 0.31 0.15 0.00 0.00 0.00 178.15 178.56 3kcr h PHE 183 N -0.76 0.95 -0.18 1.37 3.04 -1.25 0.19 116.94 120.30 3kcr h PHE 183 Ca -0.03 -0.05 -0.14 0.00 3.98 0.00 0.00 57.97 61.72 3kcr h PHE 183 Cb 0.50 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.72 3kcr h PHE 183 CO 0.04 0.72 -0.44 0.28 -2.02 0.00 0.00 178.31 176.88 3kcr h VAL 184 N 0.91 1.33 -0.16 1.41 2.07 -1.51 -0.81 116.25 119.50 3kcr h VAL 184 Ca 0.23 -1.69 -0.12 0.00 0.82 0.00 0.00 66.70 65.94 3kcr h VAL 184 Cb 0.12 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3kcr h VAL 184 CO -0.03 0.52 -0.42 1.23 0.02 0.00 0.00 177.57 178.89 3kcr h GLY 185 N 0.29 0.40 0.50 2.17 0.00 -0.76 0.72 103.07 106.40 3kcr h GLY 185 Ca -0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 3kcr h GLY 185 CO 0.10 0.36 -0.35 0.00 0.00 0.00 0.00 176.54 176.65 3kcr h ALA 186 N 1.25 0.03 0.00 3.60 0.00 -1.07 0.24 119.26 123.31 3kcr h ALA 186 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3kcr h ALA 186 Cb 0.88 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3kcr h ALA 186 CO 0.07 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.76 3kcr n LEU 187 N -4.43 0.98 0.00 0.00 4.77 -0.31 -0.51 117.00 117.50 3kcr n LEU 187 Ca -0.10 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 3kcr n LEU 187 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3kcr n LEU 187 CO 0.41 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3kcr n GLY 188 N -0.15 1.16 1.19 -0.72 0.00 0.24 -4.75 105.19 102.16 3kcr n GLY 188 Ca 0.00 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.56 3kcr n GLY 188 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kcr n PRO 189 N 0.00 2.60 -0.54 1.61 -0.04 -1.26 -2.84 135.00 134.53 3kcr n PRO 189 Ca 0.00 -2.27 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 3kcr n PRO 189 Cb 0.00 -1.54 -0.00 0.00 -0.04 0.00 0.00 33.50 31.92 3kcr n PRO 189 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kcr n GLU 190 N 1.25 0.00 -1.94 0.54 1.02 -1.26 -5.12 120.64 115.12 3kcr n GLU 190 Ca 0.21 -0.70 -0.42 0.00 -0.02 0.00 0.00 57.16 56.23 3kcr n GLU 190 Cb 0.57 -0.30 -0.03 0.00 -0.02 0.00 0.00 31.44 31.66 3kcr n GLU 190 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kcr s GLY 191 N -0.70 1.58 0.32 0.62 0.00 -1.13 -4.86 107.32 103.15 3kcr s GLY 191 Ca 0.01 1.34 0.03 0.00 0.00 0.00 0.00 44.72 46.10 3kcr s GLY 191 CO -0.01 2.65 1.84 -0.97 0.00 0.00 0.00 173.10 176.62 3kcr h TYR 192 N 7.01 0.59 -0.69 1.90 0.05 0.10 0.40 116.97 126.33 3kcr h TYR 192 Ca -0.43 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.30 3kcr h TYR 192 Cb 1.20 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.74 3kcr h TYR 192 CO 0.67 0.59 0.46 1.25 -1.05 0.00 0.00 178.16 180.08 3kcr h LEU 193 N 0.54 0.78 0.00 3.88 5.85 -1.03 -0.27 115.31 125.07 3kcr h LEU 193 Ca 0.11 -0.02 -0.26 0.00 0.84 0.00 0.00 57.88 58.55 3kcr h LEU 193 Cb 0.38 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3kcr h LEU 193 CO 0.02 0.56 -1.45 -0.50 -0.34 0.00 0.00 178.44 176.73 3kcr h TRP 194 N 0.92 0.00 -0.85 1.25 -0.00 -1.51 -0.22 115.95 115.55 3kcr h TRP 194 Ca 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.14 3kcr h TRP 194 Cb -0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.03 3kcr h TRP 194 CO -0.00 1.00 0.50 0.87 -0.00 0.00 0.00 178.44 180.81 3kcr h LYS 195 N 0.00 1.16 0.24 0.49 1.57 -0.80 0.55 116.57 119.79 3kcr h LYS 195 Ca -0.18 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3kcr h LYS 195 Cb 1.92 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 34.00 3kcr h LYS 195 CO 0.10 0.83 -0.12 0.35 -0.57 0.00 0.00 179.45 180.04 3kcr h PHE 196 N 1.17 -0.30 -0.47 -1.35 3.57 -1.06 -1.17 116.94 117.33 3kcr h PHE 196 Ca 0.30 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.72 3kcr h PHE 196 Cb -0.02 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3kcr h PHE 196 CO 0.00 -0.04 -0.02 1.25 -2.23 0.00 0.00 178.31 177.27 3kcr h LEU 197 N -0.53 0.76 -0.59 0.59 5.85 -0.96 -0.24 115.31 120.19 3kcr h LEU 197 Ca -0.03 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 3kcr h LEU 197 Cb 0.40 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3kcr h LEU 197 CO 0.05 0.84 0.14 -1.13 -0.34 0.00 0.00 178.44 178.00 3kcr h ASN 198 N 0.73 0.90 -0.76 1.25 -0.73 -0.94 -2.58 115.58 113.45 3kcr h ASN 198 Ca 0.14 -0.23 0.03 0.00 1.87 0.00 0.00 56.30 58.10 3kcr h ASN 198 Cb 0.48 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 38.79 3kcr h ASN 198 CO 0.02 0.90 0.50 0.28 -0.37 0.00 0.00 177.43 178.77 3kcr h SER 199 N 0.86 0.81 -0.25 1.15 0.02 -0.26 0.12 113.55 116.01 3kcr h SER 199 Ca 0.19 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3kcr h SER 199 Cb 0.36 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3kcr h SER 199 CO 0.00 0.56 0.14 -0.07 -1.14 0.00 0.00 176.83 176.32 3kcr h LEU 200 N 0.95 0.22 -0.81 5.07 3.38 -0.78 -2.60 115.31 120.73 3kcr h LEU 200 Ca 0.30 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.16 3kcr h LEU 200 Cb 0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3kcr h LEU 200 CO -0.08 0.16 -0.31 0.40 0.09 0.00 0.00 178.44 178.70 3kcr h ILE 201 N 0.28 1.28 0.00 1.22 2.04 -1.17 -2.65 117.51 118.52 3kcr h ILE 201 Ca 0.10 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.55 3kcr h ILE 201 Cb 0.01 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3kcr h ILE 201 CO -0.05 0.45 0.00 1.67 0.00 0.00 0.00 178.15 180.21 3kcr n GLN 202 N -4.08 0.11 -0.50 2.37 7.27 0.39 -4.88 117.38 118.06 3kcr n GLN 202 Ca -0.01 0.34 0.00 0.00 0.07 0.00 0.00 57.00 57.40 3kcr n GLN 202 Cb 0.45 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 31.40 3kcr n GLN 202 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kcr n GLY 203 N 0.04 0.79 2.95 1.69 0.00 -1.00 -4.98 105.19 104.68 3kcr n GLY 203 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3kcr n GLY 203 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kcr s VAL 204 N -3.02 2.00 0.13 1.61 -7.23 -1.06 -5.03 120.40 107.80 3kcr s VAL 204 Ca 0.00 -2.23 -0.30 0.00 -1.81 0.00 0.00 61.98 57.64 3kcr s VAL 204 Cb 0.00 -2.47 -0.07 0.00 0.56 0.00 0.00 36.38 34.40 3kcr s VAL 204 CO 0.00 -0.64 1.07 -2.16 -0.31 0.00 0.00 175.10 173.06 3kcr s PRO 205 N 0.95 4.60 -0.32 4.82 0.04 -1.24 -4.39 135.00 139.46 3kcr s PRO 205 Ca 0.11 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 3kcr s PRO 205 Cb -0.19 -3.33 0.07 0.00 0.04 0.00 0.00 34.50 31.09 3kcr s PRO 205 CO -0.11 0.06 0.03 1.21 0.04 0.00 0.00 177.00 178.23 3kcr s ASN 206 N 0.16 4.88 0.46 6.66 2.47 -1.26 -4.96 114.94 123.35 3kcr s ASN 206 Ca 0.50 -1.53 0.14 0.00 0.42 0.00 0.00 52.86 52.40 3kcr s ASN 206 Cb -0.27 -1.70 1.09 0.00 -1.45 0.00 0.00 41.25 38.92 3kcr s ASN 206 CO 0.32 -0.32 2.05 -0.29 -3.72 0.00 0.00 177.10 175.14 3kcr h ILE 207 N 6.51 0.96 -0.98 -5.21 2.10 -1.99 -2.61 117.51 116.28 3kcr h ILE 207 Ca -0.17 -0.10 0.11 0.00 1.08 0.00 0.00 64.86 65.78 3kcr h ILE 207 Cb 1.05 0.64 -0.08 0.00 -1.09 0.00 0.00 36.82 37.34 3kcr h ILE 207 CO 0.55 0.05 0.63 -0.33 -1.08 0.00 0.00 178.15 177.97 3kcr h GLU 208 N 0.29 0.97 0.00 2.19 5.08 -1.97 0.16 114.58 121.30 3kcr h GLU 208 Ca 0.17 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3kcr h GLU 208 Cb 0.30 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3kcr h GLU 208 CO -0.04 0.64 -0.30 1.88 -1.00 0.00 0.00 179.01 180.19 3kcr h TYR 209 N 0.99 0.00 0.00 4.33 0.99 -1.80 -2.95 116.97 118.54 3kcr h TYR 209 Ca 0.47 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.20 3kcr h TYR 209 Cb 0.44 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.17 3kcr h TYR 209 CO -0.00 0.12 -1.54 1.51 -0.00 0.00 0.00 178.16 178.24 3kcr n ILE 210 N -3.05 0.29 -0.27 -2.88 3.06 -1.16 -4.50 119.36 110.85 3kcr n ILE 210 Ca 0.03 -0.52 0.01 0.00 -2.50 0.00 0.00 62.75 59.76 3kcr n ILE 210 Cb 0.58 -0.16 0.13 0.00 0.54 0.00 0.00 39.64 40.74 3kcr n ILE 210 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kcr h ALA 211 N 2.00 1.04 0.00 1.51 0.00 -0.49 -1.05 119.26 122.27 3kcr h ALA 211 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kcr h ALA 211 Cb 1.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3kcr h ALA 211 CO 0.00 0.10 0.00 -1.00 0.00 0.00 0.00 179.25 178.35 3kcr h PRO 212 N 0.76 0.00 -0.28 0.00 0.13 -1.72 -2.71 132.00 128.18 3kcr h PRO 212 Ca 0.35 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.43 3kcr h PRO 212 Cb 0.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 3kcr h PRO 212 CO -0.21 0.00 -0.02 0.82 -0.23 0.00 0.00 178.00 178.36 3kcr h ILE 213 N 0.00 1.27 -0.58 -3.56 2.04 -1.48 -3.12 117.51 112.08 3kcr h ILE 213 Ca 0.00 -0.98 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 3kcr h ILE 213 Cb 0.76 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3kcr h ILE 213 CO 0.00 0.31 0.10 0.40 0.00 0.00 0.00 178.15 178.96 3kcr h ILE 214 N 0.29 1.26 -0.83 -0.67 2.04 -1.22 -2.94 117.51 115.43 3kcr h ILE 214 Ca 0.08 -0.97 0.21 0.00 1.00 0.00 0.00 64.86 65.17 3kcr h ILE 214 Cb 0.46 0.77 -0.14 0.00 -0.74 0.00 0.00 36.82 37.17 3kcr h ILE 214 CO 0.02 0.36 0.14 1.23 0.00 0.00 0.00 178.15 179.90 3kcr h GLY 215 N 0.85 1.16 0.94 5.37 0.00 -1.52 -2.00 103.07 107.87 3kcr h GLY 215 Ca 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 3kcr h GLY 215 CO 0.01 -0.33 0.12 -0.84 0.00 0.00 0.00 176.54 175.49 3kcr h THR 216 N 0.17 1.22 -0.37 4.70 2.02 -1.45 -2.57 112.91 116.63 3kcr h THR 216 Ca 0.50 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 3kcr h THR 216 Cb 0.95 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 3kcr h THR 216 CO -0.66 0.27 0.07 0.40 0.37 0.00 0.00 175.52 175.96 3kcr h ILE 217 N 0.53 1.24 -0.40 3.11 2.04 -1.32 0.82 117.51 123.52 3kcr h ILE 217 Ca 0.13 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 3kcr h ILE 217 Cb 0.29 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3kcr h ILE 217 CO -0.00 0.28 0.23 0.40 0.00 0.00 0.00 178.15 179.06 3kcr h ILE 218 N 0.46 1.15 -0.37 -0.67 2.04 -1.45 -1.56 117.51 117.11 3kcr h ILE 218 Ca 0.11 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3kcr h ILE 218 Cb 0.35 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3kcr h ILE 218 CO 0.01 0.15 0.10 0.58 0.00 0.00 0.00 178.15 178.98 3kcr h VAL 219 N 0.52 1.22 -0.30 1.67 2.07 -1.34 -1.79 116.25 118.30 3kcr h VAL 219 Ca 0.14 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.95 3kcr h VAL 219 Cb 0.04 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3kcr h VAL 219 CO -0.02 0.25 0.13 0.15 0.02 0.00 0.00 177.57 178.10 3kcr h PHE 220 N 0.44 0.23 -0.83 1.57 3.57 -0.63 -0.73 116.94 120.56 3kcr h PHE 220 Ca 0.12 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3kcr h PHE 220 Cb 0.29 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 3kcr h PHE 220 CO 0.01 0.12 0.51 -0.07 -2.23 0.00 0.00 178.31 176.65 3kcr h LEU 221 N 0.27 0.99 -0.12 0.59 3.38 -1.25 -2.84 115.31 116.33 3kcr h LEU 221 Ca 0.13 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3kcr h LEU 221 Cb 0.07 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3kcr h LEU 221 CO -0.11 0.76 -0.09 -0.03 0.09 0.00 0.00 178.44 179.06 3kcr h MET 222 N 1.14 0.27 -0.92 1.13 4.05 -0.89 -3.10 114.93 116.61 3kcr h MET 222 Ca 0.30 -0.13 0.04 0.00 -0.28 0.00 0.00 59.70 59.62 3kcr h MET 222 Cb -0.06 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.68 3kcr h MET 222 CO -0.06 0.64 0.60 0.28 0.23 0.00 0.00 176.91 178.60 3kcr h VAL 223 N -0.09 1.15 0.00 -5.77 2.07 -1.19 -3.10 116.25 109.31 3kcr h VAL 223 Ca 0.02 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3kcr h VAL 223 Cb 0.58 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3kcr h VAL 223 CO 0.02 0.21 -0.04 0.52 0.02 0.00 0.00 177.57 178.31 3kcr n VAL 224 N -4.51 0.40 -3.00 2.57 0.31 -1.07 -3.68 118.33 109.35 3kcr n VAL 224 Ca 0.12 -0.20 -0.37 0.00 -0.01 0.00 0.00 64.34 63.89 3kcr n VAL 224 Cb 0.10 -0.53 -0.01 0.00 -0.91 0.00 0.00 33.84 32.49 3kcr n VAL 224 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kcr n TYR 225 N -2.02 2.91 -1.87 3.52 4.19 -1.17 -4.50 117.16 118.22 3kcr n TYR 225 Ca 0.06 -3.11 0.00 0.00 3.31 0.00 0.00 57.90 58.16 3kcr n TYR 225 Cb 0.40 -0.98 0.00 0.00 0.49 0.00 0.00 39.34 39.25 3kcr n TYR 225 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3kcr n ALA 226 N 0.68 1.65 -1.97 2.98 0.00 -1.24 -4.79 120.51 117.82 3kcr n ALA 226 Ca 0.32 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3kcr n ALA 226 Cb 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3kcr n ALA 226 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3kcr n GLU 227 N 0.00 0.00 -3.38 0.00 0.28 -1.26 -4.94 120.64 111.33 3kcr n GLU 227 Ca 0.00 -0.05 -0.38 0.00 -0.16 0.00 0.00 57.16 56.57 3kcr n GLU 227 Cb 0.55 -0.03 -0.07 0.00 1.43 0.00 0.00 31.44 33.32 3kcr n GLU 227 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kcr n MET 229 N 4.27 0.00 -3.82 0.00 0.00 -1.24 -5.08 117.12 111.26 3kcr n MET 229 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.33 3kcr n MET 229 Cb 0.51 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.57 3kcr n MET 229 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3kcr s ARG 230 N -2.00 1.04 0.38 3.17 1.81 -1.26 -4.45 118.95 117.64 3kcr s ARG 230 Ca 0.00 -0.74 0.08 0.00 -1.72 0.00 0.00 55.73 53.35 3kcr s ARG 230 Cb 0.00 -2.30 -0.03 0.00 -0.45 0.00 0.00 34.95 32.17 3kcr s ARG 230 CO 0.00 -0.67 0.31 -0.98 -0.68 0.00 0.00 175.30 173.28 3kcr s ARG 231 N 1.64 2.54 0.00 3.54 1.70 -1.26 -5.05 118.95 122.06 3kcr s ARG 231 Ca -0.01 -1.50 0.00 0.00 -0.47 0.00 0.00 55.73 53.75 3kcr s ARG 231 Cb -0.18 -2.35 0.00 0.00 -0.57 0.00 0.00 34.95 31.86 3kcr s ARG 231 CO -0.09 -0.07 0.00 -2.13 -1.08 0.00 0.00 175.30 171.93 3kcr n ARG 232 N -1.42 0.00 -4.06 3.89 0.63 -1.26 -3.89 116.66 110.55 3kcr n ARG 232 Ca 0.01 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.76 3kcr n ARG 232 Cb 0.61 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.36 3kcr n ARG 232 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3kcr s ILE 233 N -0.48 0.35 -0.14 5.15 1.01 -1.25 -4.97 121.20 120.87 3kcr s ILE 233 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.62 3kcr s ILE 233 Cb 0.00 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 42.10 3kcr s ILE 233 CO 0.00 0.17 -0.18 -0.69 0.00 0.00 0.00 174.94 174.23 3kcr s VAL 234 N 0.75 1.81 0.00 2.92 1.01 -1.26 -4.26 120.40 121.37 3kcr s VAL 234 Ca -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3kcr s VAL 234 Cb -0.12 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3kcr s VAL 234 CO -0.01 0.50 0.00 0.55 0.00 0.00 0.00 175.10 176.14 3kcr n VAL 235 N 4.35 0.00 -2.16 2.92 3.14 -1.26 -5.07 118.33 120.25 3kcr n VAL 235 Ca -0.19 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.78 3kcr n VAL 235 Cb 0.51 0.47 -0.03 0.00 -1.06 0.00 0.00 33.84 33.73 3kcr n VAL 235 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 3kcr s ASN 236 N 0.00 6.83 0.19 6.55 -0.87 -1.26 -3.04 114.94 123.34 3kcr s ASN 236 Ca 0.00 2.51 0.10 0.00 -1.57 0.00 0.00 52.86 53.90 3kcr s ASN 236 Cb 0.00 -2.62 -0.04 0.00 -0.02 0.00 0.00 41.25 38.57 3kcr s ASN 236 CO 0.00 -0.56 -0.22 -0.47 -2.57 0.00 0.00 177.10 173.28 3kcr s TYR 237 N -0.15 2.13 0.15 2.20 6.14 -1.26 -3.17 117.35 123.39 3kcr s TYR 237 Ca 0.56 -0.39 0.00 0.00 0.64 0.00 0.00 57.07 57.87 3kcr s TYR 237 Cb -0.38 -1.04 0.00 0.00 0.42 0.00 0.00 41.96 40.96 3kcr s TYR 237 CO 0.42 0.46 0.00 0.00 0.64 0.00 0.00 175.55 177.07 3kcr n ALA 238 N 0.19 3.00 0.00 3.97 0.00 -1.25 -0.72 120.51 125.69 3kcr n ALA 238 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3kcr n ALA 238 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3kcr n ALA 238 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3kcr n LYS 239 N -3.01 0.00 -3.89 0.00 2.85 -0.24 -4.33 118.16 109.55 3kcr n LYS 239 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 3kcr n LYS 239 Cb 0.00 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.21 3kcr n LYS 239 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3kcr s ARG 240 N 0.00 0.35 -1.08 -1.58 0.52 -1.26 -4.44 118.95 111.45 3kcr s ARG 240 Ca 0.00 0.10 -0.07 0.00 -0.52 0.00 0.00 55.73 55.24 3kcr s ARG 240 Cb 0.00 -0.60 -0.05 0.00 0.52 0.00 0.00 34.95 34.82 3kcr s ARG 240 CO 0.00 -0.18 0.91 1.04 0.02 0.00 0.00 175.30 177.09 3kcr n GLN 241 N 4.44 -2.64 -1.61 3.54 6.02 -1.26 -4.69 117.38 121.17 3kcr n GLN 241 Ca -0.20 0.81 -0.36 0.00 -0.01 0.00 0.00 57.00 57.24 3kcr n GLN 241 Cb 0.50 -5.62 0.08 0.00 1.02 0.00 0.00 30.24 26.22 3kcr n GLN 241 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3kcr s GLN 242 N -4.72 2.36 0.00 -1.09 -2.07 -1.26 -4.50 119.66 108.38 3kcr s GLN 242 Ca 0.40 1.98 0.00 0.00 -1.82 0.00 0.00 55.36 55.92 3kcr s GLN 242 Cb -0.07 -1.83 0.00 0.00 -1.09 0.00 0.00 33.01 30.02 3kcr s GLN 242 CO 0.76 -1.72 0.00 0.41 -1.32 0.00 0.00 175.29 173.42 3kcr n GLY 243 N 0.77 3.80 0.67 2.60 0.00 -1.26 -4.87 105.19 106.90 3kcr n GLY 243 Ca 0.15 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 44.90 3kcr n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr n ARG 244 N -0.15 1.72 -0.01 1.61 5.12 -1.26 -2.57 116.66 121.12 3kcr n ARG 244 Ca 0.00 -1.35 0.01 0.00 -1.93 0.00 0.00 57.85 54.58 3kcr n ARG 244 Cb 0.00 -1.47 0.01 0.00 -1.16 0.00 0.00 32.46 29.84 3kcr n ARG 244 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kcr n ARG 245 N 0.54 0.10 0.09 5.56 1.74 -1.26 -4.58 116.66 118.86 3kcr n ARG 245 Ca 0.13 -0.83 -0.13 0.00 -0.77 0.00 0.00 57.85 56.24 3kcr n ARG 245 Cb 0.50 -1.04 -0.08 0.00 -1.02 0.00 0.00 32.46 30.82 3kcr n ARG 245 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kcr h VAL 246 N 0.34 0.95 0.00 1.55 2.07 -1.80 -3.47 116.25 115.89 3kcr h VAL 246 Ca 0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3kcr h VAL 246 Cb 0.18 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3kcr h VAL 246 CO 0.00 0.12 0.00 -1.22 0.02 0.00 0.00 177.57 176.49 3kcr n TYR 247 N -5.07 0.00 -2.02 1.57 0.53 -1.24 -5.10 117.16 105.82 3kcr n TYR 247 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.79 3kcr n TYR 247 Cb 0.19 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.50 3kcr n TYR 247 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kcr n ALA 248 N -3.00 0.00 -1.53 -0.72 0.00 -1.26 -4.76 120.51 109.23 3kcr n ALA 248 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kcr n ALA 248 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kcr n ALA 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcr n ALA 249 N -3.00 1.06 -3.07 0.00 0.00 -1.26 -4.64 120.51 109.59 3kcr n ALA 249 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 3kcr n ALA 249 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3kcr n ALA 249 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3kcr s GLN 250 N 0.00 2.02 -0.14 0.00 -1.52 -1.26 -1.08 119.66 117.69 3kcr s GLN 250 Ca 0.00 -1.73 0.01 0.00 -1.95 0.00 0.00 55.36 51.69 3kcr s GLN 250 Cb 0.00 0.48 0.02 0.00 -0.22 0.00 0.00 33.01 33.29 3kcr s GLN 250 CO 0.00 -0.86 -0.16 -1.12 -0.25 0.00 0.00 175.29 172.89 3kcr s SER 251 N -3.22 2.70 -0.22 5.90 0.01 -1.19 -4.63 113.70 113.06 3kcr s SER 251 Ca 0.28 -0.50 0.13 0.00 1.31 0.00 0.00 55.95 57.17 3kcr s SER 251 Cb -0.02 -1.21 0.45 0.00 0.21 0.00 0.00 66.02 65.45 3kcr s SER 251 CO 0.19 -0.01 1.19 0.35 0.41 0.00 0.00 173.24 175.37 3kcr n THR 252 N 4.45 1.89 -1.65 1.44 -2.24 -1.25 -4.22 114.28 112.69 3kcr n THR 252 Ca -0.18 -3.25 -0.37 0.00 -2.27 0.00 0.00 64.05 57.97 3kcr n THR 252 Cb 0.51 -0.17 0.07 0.00 -2.10 0.00 0.00 70.33 68.63 3kcr n THR 252 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kcr n HIS 253 N -0.67 1.47 -3.51 4.78 1.44 -1.26 -5.00 115.22 112.46 3kcr n HIS 253 Ca 0.25 0.42 -0.13 0.00 -2.01 0.00 0.00 57.72 56.25 3kcr n HIS 253 Cb 0.87 -2.21 -0.04 0.00 0.12 0.00 0.00 29.99 28.73 3kcr n HIS 253 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 3kcr s LEU 254 N -3.59 -0.52 0.00 2.39 2.34 -1.26 -3.92 118.68 114.12 3kcr s LEU 254 Ca 0.80 0.35 0.01 0.00 0.06 0.00 0.00 54.13 55.35 3kcr s LEU 254 Cb -0.38 2.30 0.01 0.00 -0.56 0.00 0.00 46.19 47.55 3kcr s LEU 254 CO 0.43 -0.63 0.07 -2.65 -1.06 0.00 0.00 176.35 172.51 3kcr n PRO 255 N 0.36 1.11 0.00 1.48 -0.02 -1.25 -4.97 135.00 131.71 3kcr n PRO 255 Ca -0.15 -0.34 0.00 0.00 -2.02 0.00 0.00 63.50 60.99 3kcr n PRO 255 Cb 0.60 -0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 3kcr n PRO 255 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3kcr n LEU 256 N 0.00 0.00 -3.80 2.45 -0.00 -1.26 -4.44 117.00 109.96 3kcr n LEU 256 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.90 3kcr n LEU 256 Cb 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.38 3kcr n LEU 256 CO 0.04 0.06 -0.08 -0.54 -0.00 0.00 0.00 177.39 176.87 3kcr s LYS 257 N 0.00 0.45 0.26 1.47 -0.14 -1.25 -3.63 119.74 116.90 3kcr s LYS 257 Ca 0.00 0.02 -0.08 0.00 -1.36 0.00 0.00 55.97 54.55 3kcr s LYS 257 Cb 0.00 0.20 -0.01 0.00 -1.68 0.00 0.00 37.83 36.34 3kcr s LYS 257 CO 0.00 -0.10 0.41 0.14 -0.76 0.00 0.00 175.35 175.04 3kcr s VAL 258 N -0.64 0.00 -0.01 3.17 -7.23 -1.26 -5.07 120.40 109.35 3kcr s VAL 258 Ca -0.07 -1.58 -0.02 0.00 -1.81 0.00 0.00 61.98 58.50 3kcr s VAL 258 Cb -0.04 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.52 3kcr s VAL 258 CO 0.02 0.00 0.04 1.33 -0.31 0.00 0.00 175.10 176.17 3kcr n VAL 259 N -0.41-11.56 -1.95 1.32 0.24 -1.25 -4.83 118.33 99.89 3kcr n VAL 259 Ca -0.00 2.61 0.00 0.00 -2.04 0.00 0.00 64.34 64.90 3kcr n VAL 259 Cb 0.63 -5.69 0.00 0.00 -1.47 0.00 0.00 33.84 27.31 3kcr n VAL 259 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3kcr n TYR 260 N 1.51 0.00 -1.66 6.34 0.53 -1.26 -4.87 117.16 117.75 3kcr n TYR 260 Ca -0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.82 3kcr n TYR 260 Cb 0.10 0.13 0.00 0.00 -1.03 0.00 0.00 39.34 38.54 3kcr n TYR 260 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 3kcr n VAL 261 N 0.00 0.00 0.51 -0.72 0.31 -0.76 -4.84 118.33 112.83 3kcr n VAL 261 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 3kcr n VAL 261 Cb 0.45 0.47 0.17 0.00 -0.91 0.00 0.00 33.84 34.02 3kcr n VAL 261 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3kcr n SER 262 N 0.00 3.26 -0.03 4.52 2.88 -1.14 -4.37 113.62 118.73 3kcr n SER 262 Ca 0.00 -1.97 -0.15 0.00 -1.33 0.00 0.00 58.87 55.42 3kcr n SER 262 Cb 0.55 -0.16 -0.09 0.00 -0.75 0.00 0.00 64.21 63.76 3kcr n SER 262 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3kcr h ASN 263 N 4.41 0.45 -0.61 -3.46 -0.00 -1.90 -3.31 115.58 111.16 3kcr h ASN 263 Ca 0.00 -0.64 -0.05 0.00 -0.00 0.00 0.00 56.30 55.61 3kcr h ASN 263 Cb 0.97 -0.13 -0.03 0.00 -0.00 0.00 0.00 38.32 39.13 3kcr h ASN 263 CO 0.00 1.01 0.17 0.40 -0.00 0.00 0.00 177.43 179.00 3kcr h ILE 264 N -0.09 1.25 -0.88 2.57 5.03 -1.97 -1.64 117.51 121.78 3kcr h ILE 264 Ca -0.02 -0.88 0.19 0.00 -0.12 0.00 0.00 64.86 64.03 3kcr h ILE 264 Cb 0.99 0.66 -0.16 0.00 -3.03 0.00 0.00 36.82 35.28 3kcr h ILE 264 CO 0.07 0.33 -0.14 -0.65 -0.68 0.00 0.00 178.15 177.08 3kcr h PRO 265 N 0.88 0.02 0.00 2.37 0.11 -1.82 -2.28 132.00 131.27 3kcr h PRO 265 Ca 0.19 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3kcr h PRO 265 Cb 0.33 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3kcr h PRO 265 CO -0.00 0.01 -0.36 -0.24 -0.21 0.00 0.00 178.00 177.20 3kcr h VAL 266 N 0.02 0.00 -0.38 3.15 3.04 -1.40 -1.76 116.25 118.92 3kcr h VAL 266 Ca 0.45 -0.56 0.01 0.00 -1.01 0.00 0.00 66.70 65.59 3kcr h VAL 266 Cb 0.75 1.33 -0.02 0.00 -2.01 0.00 0.00 31.29 31.34 3kcr h VAL 266 CO -0.87 0.00 0.23 0.40 -1.01 0.00 0.00 177.57 176.32 3kcr h ILE 267 N 0.00 1.06 -0.49 3.17 2.04 -1.14 -2.71 117.51 119.44 3kcr h ILE 267 Ca 0.00 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 3kcr h ILE 267 Cb 0.78 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3kcr h ILE 267 CO 0.00 0.09 0.07 -0.07 0.00 0.00 0.00 178.15 178.23 3kcr h LEU 268 N 0.47 0.78 -0.47 1.44 3.38 -1.11 -2.37 115.31 117.42 3kcr h LEU 268 Ca 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3kcr h LEU 268 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3kcr h LEU 268 CO -0.06 0.85 0.17 0.00 0.09 0.00 0.00 178.44 179.49 3kcr h ALA 269 N 0.96 0.62 -0.67 1.53 0.00 -1.30 -0.95 119.26 119.45 3kcr h ALA 269 Ca 0.15 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3kcr h ALA 269 Cb 0.41 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3kcr h ALA 269 CO 0.01 0.24 0.10 0.00 0.00 0.00 0.00 179.25 179.60 3kcr h ALA 270 N 1.02 0.90 -0.23 0.00 0.00 -1.52 -3.18 119.26 116.25 3kcr h ALA 270 Ca 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3kcr h ALA 270 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kcr h ALA 270 CO -0.01 0.68 -0.03 0.00 0.00 0.00 0.00 179.25 179.88 3kcr h ALA 271 N 1.05 1.53 -0.52 0.00 0.00 -1.19 -2.34 119.26 117.78 3kcr h ALA 271 Ca 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kcr h ALA 271 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kcr h ALA 271 CO 0.02 0.34 0.21 1.25 0.00 0.00 0.00 179.25 181.07 3kcr h LEU 272 N 0.34 0.71 -1.20 0.00 7.12 -1.15 -1.47 115.31 119.66 3kcr h LEU 272 Ca 0.07 -0.16 -0.06 0.00 0.13 0.00 0.00 57.88 57.86 3kcr h LEU 272 Cb 0.28 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.21 3kcr h LEU 272 CO 0.01 0.68 -0.11 -0.26 -0.13 0.00 0.00 178.44 178.64 3kcr h PHE 273 N 0.70 0.45 -0.68 1.25 0.04 -1.53 -1.55 116.94 115.62 3kcr h PHE 273 Ca 0.17 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.89 3kcr h PHE 273 Cb 0.19 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 3kcr h PHE 273 CO 0.00 0.52 0.43 0.00 -0.60 0.00 0.00 178.31 178.66 3kcr h ALA 274 N 1.50 0.86 -0.22 2.45 0.00 -0.97 -1.21 119.26 121.66 3kcr h ALA 274 Ca 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kcr h ALA 274 Cb 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kcr h ALA 274 CO 0.02 0.31 0.13 -0.91 0.00 0.00 0.00 179.25 178.80 3kcr h ASN 275 N 0.92 0.27 -0.47 0.00 2.35 -1.00 -2.17 115.58 115.48 3kcr h ASN 275 Ca 0.24 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 3kcr h ASN 275 Cb -0.06 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3kcr h ASN 275 CO -0.05 0.25 0.11 0.40 -1.65 0.00 0.00 177.43 176.49 3kcr h ILE 276 N 0.27 1.24 -0.68 2.81 2.04 -0.96 0.43 117.51 122.65 3kcr h ILE 276 Ca 0.08 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 3kcr h ILE 276 Cb 0.03 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3kcr h ILE 276 CO -0.01 0.30 0.22 1.56 0.00 0.00 0.00 178.15 180.22 3kcr h GLN 277 N 0.63 1.03 0.54 2.37 1.08 -1.28 -0.60 115.11 118.88 3kcr h GLN 277 Ca 0.15 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 3kcr h GLN 277 Cb 0.33 -0.16 0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3kcr h GLN 277 CO 0.00 0.87 -0.26 1.25 -0.95 0.00 0.00 178.83 179.75 3kcr h LEU 278 N 1.00 -0.61 -1.14 1.46 5.85 -1.00 -3.13 115.31 117.74 3kcr h LEU 278 Ca 0.22 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3kcr h LEU 278 Cb 0.26 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3kcr h LEU 278 CO -0.01 -0.34 0.58 -0.50 -0.34 0.00 0.00 178.44 177.83 3kcr h TRP 279 N -0.86 1.10 -0.21 1.25 4.06 -0.13 -1.37 115.95 119.79 3kcr h TRP 279 Ca -0.07 0.03 -0.18 0.00 2.06 0.00 0.00 58.89 60.72 3kcr h TRP 279 Cb 0.61 -0.37 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 3kcr h TRP 279 CO -0.01 0.69 -0.58 0.78 -3.56 0.00 0.00 178.44 175.76 3kcr h GLY 280 N 1.19 0.84 1.30 1.49 0.00 -1.22 -1.39 103.07 105.28 3kcr h GLY 280 Ca 0.32 -1.07 -0.19 0.00 0.00 0.00 0.00 47.33 46.39 3kcr h GLY 280 CO -0.07 0.95 -0.64 -2.00 0.00 0.00 0.00 176.54 174.78 3kcr h LEU 281 N 0.50 0.81 -0.49 3.11 6.46 -1.47 -1.24 115.31 122.99 3kcr h LEU 281 Ca -0.01 -0.48 -0.01 0.00 -0.12 0.00 0.00 57.88 57.26 3kcr h LEU 281 Cb 1.20 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 3kcr h LEU 281 CO 0.13 1.25 0.27 0.00 -0.62 0.00 0.00 178.44 179.46 3kcr h ALA 282 N 0.75 0.62 0.00 1.25 0.00 -1.24 -2.34 119.26 118.31 3kcr h ALA 282 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kcr h ALA 282 Cb 1.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3kcr h ALA 282 CO 0.13 0.15 -0.04 -0.07 0.00 0.00 0.00 179.25 179.41 3kcr h LEU 283 N 0.65 0.00 0.05 0.00 3.38 -1.19 -3.16 115.31 115.03 3kcr h LEU 283 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3kcr h LEU 283 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kcr h LEU 283 CO -0.03 0.04 -0.02 0.22 0.09 0.00 0.00 178.44 178.75 3kcr h TYR 284 N 0.00 -0.06 -0.34 1.13 3.20 -0.69 -1.73 116.97 118.49 3kcr h TYR 284 Ca -0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3kcr h TYR 284 Cb 0.55 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 3kcr h TYR 284 CO 0.00 0.48 0.06 2.89 -1.64 0.00 0.00 178.16 179.95 3kcr n ARG 285 N -4.75 2.76 -0.53 1.82 1.85 -1.03 -3.44 116.66 113.33 3kcr n ARG 285 Ca -0.06 -1.61 -0.00 0.00 -1.00 0.00 0.00 57.85 55.18 3kcr n ARG 285 Cb 0.27 -1.84 -0.00 0.00 -1.05 0.00 0.00 32.46 29.84 3kcr n ARG 285 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 3kcr n MET 286 N 0.20 0.00 0.00 2.89 1.56 -1.19 -5.00 117.12 115.57 3kcr n MET 286 Ca 0.17 -0.42 0.00 0.00 -0.27 0.00 0.00 57.70 57.18 3kcr n MET 286 Cb 0.81 -0.16 0.00 0.00 2.15 0.00 0.00 33.22 36.01 3kcr n MET 286 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3kcr n GLY 287 N 0.01 -0.60 3.78 -5.12 0.00 -0.70 -4.94 105.19 97.62 3kcr n GLY 287 Ca -0.01 0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 3kcr n GLY 287 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kcr s ILE 288 N -0.34 5.44 -0.07 -0.61 1.01 -0.88 -4.71 121.20 121.04 3kcr s ILE 288 Ca 0.00 0.20 -0.34 0.00 0.00 0.00 0.00 60.65 60.51 3kcr s ILE 288 Cb 0.00 -3.45 -0.12 0.00 0.01 0.00 0.00 42.46 38.90 3kcr s ILE 288 CO 0.00 0.50 1.88 -2.65 0.00 0.00 0.00 174.94 174.67 3kcr n PRO 289 N 3.02 2.23 0.00 2.79 -0.02 -1.26 -4.24 135.00 137.52 3kcr n PRO 289 Ca -0.17 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3kcr n PRO 289 Cb 0.53 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3kcr n PRO 289 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kcr n ILE 290 N 5.15 0.00 0.17 4.25 5.41 -1.26 -4.77 119.36 128.31 3kcr n ILE 290 Ca 0.22 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.99 3kcr n ILE 290 Cb 0.30 -0.45 0.01 0.00 -0.71 0.00 0.00 39.64 38.80 3kcr n ILE 290 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3kcr n LEU 291 N -1.24 1.12 0.00 1.39 4.77 -1.26 -4.89 117.00 116.89 3kcr n LEU 291 Ca 0.00 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3kcr n LEU 291 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3kcr n LEU 291 CO 0.00 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3kcr n GLY 292 N 0.38 0.90 3.27 -0.72 0.00 -1.26 -0.51 105.19 107.25 3kcr n GLY 292 Ca 0.02 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 3kcr n GLY 292 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kcr s HIS 293 N -1.57 1.78 0.00 1.61 3.76 -1.04 -4.63 115.29 115.19 3kcr s HIS 293 Ca 0.00 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 3kcr s HIS 293 Cb 0.00 -1.00 0.00 0.00 1.11 0.00 0.00 32.58 32.69 3kcr s HIS 293 CO 0.00 0.17 0.00 0.66 -0.85 0.00 0.00 174.74 174.72 3kcr n TYR 294 N 1.29 0.00 0.00 1.40 4.02 -1.26 -1.67 117.16 120.94 3kcr n TYR 294 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 3kcr n TYR 294 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 3kcr n TYR 294 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3kcr n GLU 295 N 0.00 0.00 -1.01 -0.72 1.02 -1.25 -4.33 120.64 114.35 3kcr n GLU 295 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3kcr n GLU 295 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3kcr n GLU 295 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kcr n GLY 296 N 1.59 0.44 1.84 0.62 0.00 -1.26 -4.26 105.19 104.17 3kcr n GLY 296 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3kcr n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 297 N -2.92 1.09 3.63 -0.02 0.00 -1.26 -4.99 105.19 100.72 3kcr n GLY 297 Ca -0.00 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 3kcr n GLY 297 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kcr s ARG 298 N 0.00 -0.08 0.67 1.61 1.70 -1.26 -4.89 118.95 116.70 3kcr s ARG 298 Ca 0.00 0.46 -0.17 0.00 -0.47 0.00 0.00 55.73 55.55 3kcr s ARG 298 Cb 0.00 -1.68 0.00 0.00 -0.57 0.00 0.00 34.95 32.70 3kcr s ARG 298 CO 0.00 -3.06 1.26 0.00 -1.08 0.00 0.00 175.30 172.41 3kcr n ALA 299 N -4.40 0.89 0.00 7.88 0.00 -1.26 -3.78 120.51 119.85 3kcr n ALA 299 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kcr n ALA 299 Cb 0.57 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3kcr n ALA 299 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kcr n VAL 300 N -2.13 0.00 -3.94 0.00 0.31 -0.67 -4.88 118.33 107.03 3kcr n VAL 300 Ca 0.15 -0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.39 3kcr n VAL 300 Cb 0.48 0.17 -0.05 0.00 -0.91 0.00 0.00 33.84 33.53 3kcr n VAL 300 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kcr s ASP 301 N -0.63 -0.13 0.00 4.52 2.15 -0.68 -4.91 116.67 116.99 3kcr s ASP 301 Ca 0.00 -0.81 0.00 0.00 0.43 0.00 0.00 52.55 52.17 3kcr s ASP 301 Cb 0.00 0.60 0.00 0.00 -0.30 0.00 0.00 42.92 43.22 3kcr s ASP 301 CO 0.00 -1.14 0.00 0.61 -0.17 0.00 0.00 175.17 174.47 3kcr n GLY 302 N -0.38 -1.84 0.33 2.66 0.00 -1.26 -2.51 105.19 102.19 3kcr n GLY 302 Ca -0.04 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 3kcr n GLY 302 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kcr h ILE 303 N 0.00 1.13 -0.57 -0.61 2.04 -1.72 -2.53 117.51 115.25 3kcr h ILE 303 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3kcr h ILE 303 Cb 0.00 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.00 3kcr h ILE 303 CO 0.00 0.20 0.36 0.00 0.00 0.00 0.00 178.15 178.71 3kcr h ALA 304 N 1.37 1.56 0.02 1.87 0.00 -0.97 -2.24 119.26 120.87 3kcr h ALA 304 Ca 0.35 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3kcr h ALA 304 Cb 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3kcr h ALA 304 CO -0.12 0.40 -0.01 -0.92 0.00 0.00 0.00 179.25 178.59 3kcr h TYR 305 N 0.78 -0.03 0.00 0.00 3.20 -1.29 -2.84 116.97 116.79 3kcr h TYR 305 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3kcr h TYR 305 Cb -0.06 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.22 3kcr h TYR 305 CO 0.00 0.36 0.00 -0.92 -1.64 0.00 0.00 178.16 175.96 3kcr h TYR 306 N -0.41 0.00 -0.56 -3.82 -0.00 -1.23 -0.04 116.97 110.90 3kcr h TYR 306 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3kcr h TYR 306 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.12 3kcr h TYR 306 CO 0.06 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.50 3kcr n LEU 307 N -2.47 3.83 -4.90 2.82 4.77 -0.87 -3.08 117.00 117.09 3kcr n LEU 307 Ca 0.01 -2.17 -0.28 0.00 -0.03 0.00 0.00 56.01 53.54 3kcr n LEU 307 Cb 0.19 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3kcr n LEU 307 CO 0.19 0.85 0.52 -0.94 -1.33 0.00 0.00 177.39 176.68 3kcr s SER 308 N -1.04 6.02 -0.21 -1.43 1.04 -0.03 -4.97 113.70 113.08 3kcr s SER 308 Ca 0.41 0.94 -0.09 0.00 0.48 0.00 0.00 55.95 57.68 3kcr s SER 308 Cb 0.24 -2.10 -0.05 0.00 0.10 0.00 0.00 66.02 64.21 3kcr s SER 308 CO 0.24 -0.80 0.12 -0.89 0.98 0.00 0.00 173.24 172.89 3kcr s THR 309 N -2.91 5.21 0.33 2.02 2.01 -1.26 -4.94 115.64 116.11 3kcr s THR 309 Ca 0.51 0.12 0.13 0.00 0.31 0.00 0.00 61.69 62.76 3kcr s THR 309 Cb -0.10 -3.39 0.06 0.00 0.01 0.00 0.00 72.50 69.07 3kcr s THR 309 CO 0.47 0.41 1.76 -0.65 -0.69 0.00 0.00 174.62 175.91 3kcr h PRO 310 N 7.01 0.00 -6.37 4.92 0.11 -1.96 -3.48 132.00 132.23 3kcr h PRO 310 Ca -0.39 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.20 3kcr h PRO 310 Cb 1.16 0.00 0.23 0.00 0.11 0.00 0.00 31.00 32.51 3kcr h PRO 310 CO 0.71 0.45 -1.45 2.48 -0.21 0.00 0.00 178.00 179.98 3kcr n TYR 311 N -3.96 -2.77 0.00 0.65 4.11 -1.24 -4.83 117.16 109.11 3kcr n TYR 311 Ca -0.02 0.19 0.00 0.00 -0.00 0.00 0.00 57.90 58.07 3kcr n TYR 311 Cb 0.48 -1.56 0.00 0.00 -0.00 0.00 0.00 39.34 38.25 3kcr n TYR 311 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3kcr n GLY 312 N 2.60 1.16 0.00 -7.48 0.00 -1.26 -4.92 105.19 95.29 3kcr n GLY 312 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3kcr n GLY 312 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kcr n LEU 313 N 0.00 0.00 -3.65 0.99 4.32 -1.26 -4.71 117.00 112.70 3kcr n LEU 313 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 3kcr n LEU 313 Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 3kcr n LEU 313 CO 0.00 0.00 0.46 -0.94 -1.22 0.00 0.00 177.39 175.69 3kcr s SER 314 N -0.33 -0.40 0.61 -1.43 1.04 -1.26 -4.14 113.70 107.80 3kcr s SER 314 Ca 0.00 -0.30 -0.18 0.00 0.48 0.00 0.00 55.95 55.94 3kcr s SER 314 Cb 0.00 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 3kcr s SER 314 CO 0.00 -1.13 1.20 -0.94 0.98 0.00 0.00 173.24 173.36 3kcr s SER 315 N -2.83 5.11 -0.22 7.02 1.04 -1.24 -4.75 113.70 117.83 3kcr s SER 315 Ca 0.06 2.37 -0.02 0.00 0.48 0.00 0.00 55.95 58.85 3kcr s SER 315 Cb -0.03 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.51 3kcr s SER 315 CO -0.03 -1.64 -0.09 -0.69 0.98 0.00 0.00 173.24 171.77 3kcr s VAL 316 N -1.66 2.80 0.00 5.02 1.01 -1.26 -4.93 120.40 121.38 3kcr s VAL 316 Ca 0.77 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3kcr s VAL 316 Cb -0.30 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.76 3kcr s VAL 316 CO 0.34 0.35 0.21 -0.38 0.00 0.00 0.00 175.10 175.61 3kcr n ILE 317 N 4.69 0.00 -0.21 2.22 5.41 -1.26 -4.68 119.36 125.53 3kcr n ILE 317 Ca -0.18 -0.43 -0.04 0.00 1.00 0.00 0.00 62.75 63.10 3kcr n ILE 317 Cb 0.49 1.06 0.14 0.00 -0.71 0.00 0.00 39.64 40.62 3kcr n ILE 317 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3kcr h SER 318 N 0.00 0.93 -3.71 4.38 4.64 -2.05 -3.38 113.55 114.37 3kcr h SER 318 Ca 0.00 -0.15 -0.68 0.00 -0.47 0.00 0.00 61.79 60.49 3kcr h SER 318 Cb 0.03 -0.24 -0.36 0.00 -0.31 0.00 0.00 62.40 61.52 3kcr h SER 318 CO 0.00 0.85 -0.69 -1.81 -0.87 0.00 0.00 176.83 174.31 3kcr s ASP 319 N -6.48 4.84 -0.10 4.97 1.01 -1.26 -4.96 116.67 114.70 3kcr s ASP 319 Ca -0.11 -1.71 0.02 0.00 0.71 0.00 0.00 52.55 51.46 3kcr s ASP 319 Cb 0.16 -1.68 -0.25 0.00 1.01 0.00 0.00 42.92 42.16 3kcr s ASP 319 CO 0.82 -0.34 0.45 -0.81 0.21 0.00 0.00 175.17 175.50 3kcr n PRO 320 N 4.47 0.70 0.06 8.23 -0.04 -1.26 -3.34 135.00 143.82 3kcr n PRO 320 Ca -0.06 0.26 -0.00 0.00 -0.04 0.00 0.00 63.50 63.66 3kcr n PRO 320 Cb 0.42 -1.73 0.30 0.00 -0.04 0.00 0.00 33.50 32.46 3kcr n PRO 320 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 3kcr h ILE 321 N 0.04 1.21 -0.46 0.52 3.07 -1.96 -0.96 117.51 118.97 3kcr h ILE 321 Ca -0.38 -0.95 -0.00 0.00 1.55 0.00 0.00 64.86 65.07 3kcr h ILE 321 Cb 2.03 1.20 -0.02 0.00 -0.27 0.00 0.00 36.82 39.75 3kcr h ILE 321 CO 0.08 0.30 0.28 -0.74 -1.05 0.00 0.00 178.15 177.02 3kcr h HIS 322 N 0.35 0.61 -0.54 0.16 2.76 -1.95 -1.03 115.15 115.52 3kcr h HIS 322 Ca 0.07 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 3kcr h HIS 322 Cb 0.46 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 3kcr h HIS 322 CO 0.01 0.43 0.25 0.00 -1.30 0.00 0.00 177.93 177.32 3kcr h ALA 323 N 1.13 0.69 -0.34 5.26 0.00 -1.47 -1.57 119.26 122.96 3kcr h ALA 323 Ca 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kcr h ALA 323 Cb -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3kcr h ALA 323 CO -0.03 0.26 0.12 0.82 0.00 0.00 0.00 179.25 180.42 3kcr h ILE 324 N 0.72 1.20 -0.26 0.00 5.03 -0.95 -1.34 117.51 121.91 3kcr h ILE 324 Ca 0.18 -0.64 -0.05 0.00 -0.12 0.00 0.00 64.86 64.24 3kcr h ILE 324 Cb 0.13 0.98 -0.01 0.00 -3.03 0.00 0.00 36.82 34.88 3kcr h ILE 324 CO -0.02 0.22 -0.04 0.58 -0.68 0.00 0.00 178.15 178.21 3kcr h VAL 325 N 0.40 1.27 -0.74 1.67 2.07 -1.16 -1.81 116.25 117.96 3kcr h VAL 325 Ca 0.11 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.61 3kcr h VAL 325 Cb 0.23 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3kcr h VAL 325 CO -0.01 0.32 0.49 0.22 0.02 0.00 0.00 177.57 178.62 3kcr h TYR 326 N 0.25 0.92 -0.15 1.57 3.20 -1.21 0.94 116.97 122.50 3kcr h TYR 326 Ca 0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3kcr h TYR 326 Cb 0.50 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3kcr h TYR 326 CO 0.05 0.58 0.06 1.98 -1.64 0.00 0.00 178.16 179.18 3kcr h MET 327 N 1.00 0.23 -0.60 1.82 4.05 -1.21 -0.13 114.93 120.08 3kcr h MET 327 Ca 0.27 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.60 3kcr h MET 327 Cb -0.11 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 3kcr h MET 327 CO -0.06 0.32 0.20 0.82 0.23 0.00 0.00 176.91 178.42 3kcr h ILE 328 N 0.08 1.24 -0.45 1.77 2.04 -1.19 -2.14 117.51 118.87 3kcr h ILE 328 Ca 0.05 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.11 3kcr h ILE 328 Cb 0.19 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3kcr h ILE 328 CO -0.00 0.31 0.27 0.00 0.00 0.00 0.00 178.15 178.73 3kcr h ALA 329 N 1.06 0.57 -0.35 1.87 0.00 -0.65 -2.23 119.26 119.53 3kcr h ALA 329 Ca 0.20 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3kcr h ALA 329 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kcr h ALA 329 CO -0.01 -0.04 -0.21 1.98 0.00 0.00 0.00 179.25 180.97 3kcr h MET 330 N 0.55 0.76 -0.26 0.00 1.85 -0.83 -1.64 114.93 115.36 3kcr h MET 330 Ca 0.17 -0.35 0.06 0.00 -0.61 0.00 0.00 59.70 58.97 3kcr h MET 330 Cb -0.01 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 31.96 3kcr h MET 330 CO -0.07 0.97 -0.09 0.82 -0.40 0.00 0.00 176.91 178.14 3kcr h ILE 331 N 0.54 0.68 -0.12 1.77 2.04 -1.30 0.05 117.51 121.17 3kcr h ILE 331 Ca 0.07 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.78 3kcr h ILE 331 Cb 0.77 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3kcr h ILE 331 CO 0.06 0.00 -0.58 0.16 0.00 0.00 0.00 178.15 177.79 3kcr h ILE 332 N -0.04 1.35 -0.87 -0.67 3.07 -1.37 -0.86 117.51 118.12 3kcr h ILE 332 Ca 0.13 -1.88 0.00 0.00 1.55 0.00 0.00 64.86 64.66 3kcr h ILE 332 Cb 0.24 1.89 -0.04 0.00 -0.27 0.00 0.00 36.82 38.63 3kcr h ILE 332 CO -0.29 0.57 0.55 0.74 -1.05 0.00 0.00 178.15 178.67 3kcr h THR 333 N 0.30 1.23 -0.26 0.16 2.02 -1.11 -1.26 112.91 113.99 3kcr h THR 333 Ca -0.00 -0.47 -0.14 0.00 0.77 0.00 0.00 66.41 66.57 3kcr h THR 333 Cb 1.10 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3kcr h THR 333 CO 0.10 0.24 -0.40 0.00 0.37 0.00 0.00 175.52 175.83 3kcr h VAL 335 N 0.51 1.20 0.15 0.00 2.07 -0.96 -2.54 116.25 116.68 3kcr h VAL 335 Ca 0.04 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3kcr h VAL 335 Cb 0.91 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3kcr h VAL 335 CO 0.08 0.19 -0.07 -0.03 0.02 0.00 0.00 177.57 177.76 3kcr h MET 336 N 1.06 -0.20 0.00 1.57 -1.53 -1.10 -1.95 114.93 112.78 3kcr h MET 336 Ca 0.29 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.56 3kcr h MET 336 Cb -0.12 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 30.98 3kcr h MET 336 CO -0.06 -0.03 0.00 1.19 0.14 0.00 0.00 176.91 178.15 3kcr n PHE 337 N -5.12 0.89 -0.01 1.39 3.01 -1.03 -1.76 117.46 114.82 3kcr n PHE 337 Ca -0.09 0.30 -0.18 0.00 1.01 0.00 0.00 57.45 58.50 3kcr n PHE 337 Cb 0.15 -0.99 -0.09 0.00 -0.01 0.00 0.00 39.48 38.55 3kcr n PHE 337 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3kcr h GLY 338 N 3.36 0.75 1.28 1.37 0.00 -1.23 -1.57 103.07 107.02 3kcr h GLY 338 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 47.33 46.07 3kcr h GLY 338 CO 0.00 1.01 -0.25 -2.22 0.00 0.00 0.00 176.54 175.08 3kcr h ILE 339 N 0.35 1.27 0.00 2.60 2.04 -1.28 -2.09 117.51 120.39 3kcr h ILE 339 Ca -0.07 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.40 3kcr h ILE 339 Cb 1.41 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 3kcr h ILE 339 CO 0.15 0.47 0.00 0.49 0.00 0.00 0.00 178.15 179.26 3kcr n PHE 340 N -4.10 0.59 1.21 1.37 3.72 -0.72 -1.07 117.46 118.46 3kcr n PHE 340 Ca -0.00 0.21 0.11 0.00 -0.05 0.00 0.00 57.45 57.72 3kcr n PHE 340 Cb 0.46 -0.84 0.37 0.00 -0.94 0.00 0.00 39.48 38.53 3kcr n PHE 340 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 176.76 178.58 3kcr n TRP 341 N -2.02 0.21 -0.10 1.38 -0.00 -0.59 -1.19 117.44 115.13 3kcr n TRP 341 Ca 0.04 -0.11 -0.17 0.00 -0.00 0.00 0.00 57.50 57.26 3kcr n TRP 341 Cb 0.27 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.51 3kcr n TRP 341 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 3kcr n VAL 342 N 0.34 1.50 0.54 5.87 0.31 -0.23 -3.50 118.33 123.16 3kcr n VAL 342 Ca 0.16 -0.04 0.13 0.00 -0.01 0.00 0.00 64.34 64.58 3kcr n VAL 342 Cb 0.34 -2.14 0.44 0.00 -0.91 0.00 0.00 33.84 31.56 3kcr n VAL 342 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kcr n GLU 343 N -4.42 0.24 -3.27 5.55 1.02 -0.38 -4.44 120.64 114.93 3kcr n GLU 343 Ca -0.29 0.30 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 3kcr n GLU 343 Cb 0.62 -1.83 -0.05 0.00 -0.02 0.00 0.00 31.44 30.16 3kcr n GLU 343 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3kcr s THR 344 N -3.19 -0.73 0.00 2.62 -1.32 -0.33 -4.72 115.64 107.97 3kcr s THR 344 Ca 0.08 -0.19 -0.00 0.00 -1.21 0.00 0.00 61.69 60.37 3kcr s THR 344 Cb 0.11 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 3kcr s THR 344 CO 0.52 -0.19 0.00 0.41 -2.21 0.00 0.00 174.62 173.15 3kcr n THR 345 N 5.37 -2.39 0.00 5.08 -1.04 -1.26 -4.29 114.28 115.75 3kcr n THR 345 Ca 0.01 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3kcr n THR 345 Cb 0.50 -3.12 0.00 0.00 -1.82 0.00 0.00 70.33 65.90 3kcr n THR 345 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kcr n GLY 346 N 0.05 4.54 3.43 3.41 0.00 -1.23 -4.33 105.19 111.06 3kcr n GLY 346 Ca -0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 3kcr n GLY 346 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kcr s LEU 347 N 0.00 -0.22 -0.02 0.99 2.96 -1.26 -5.06 118.68 116.06 3kcr s LEU 347 Ca 0.00 0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 3kcr s LEU 347 Cb 0.00 2.21 -0.04 0.00 0.50 0.00 0.00 46.19 48.87 3kcr s LEU 347 CO 0.00 -0.66 0.06 -0.62 -1.32 0.00 0.00 176.35 173.82 3kcr s ASP 348 N -1.62 5.60 -0.03 3.68 2.15 -1.26 -4.95 116.67 120.24 3kcr s ASP 348 Ca -0.08 0.15 0.01 0.00 0.43 0.00 0.00 52.55 53.05 3kcr s ASP 348 Cb -0.01 -1.60 -0.02 0.00 -0.30 0.00 0.00 42.92 40.99 3kcr s ASP 348 CO 0.03 0.30 -0.02 -0.81 -0.17 0.00 0.00 175.17 174.50 3kcr n PRO 349 N 1.39 0.82 -0.17 4.34 -0.04 -1.26 -4.68 135.00 135.40 3kcr n PRO 349 Ca -0.14 0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.31 3kcr n PRO 349 Cb 0.53 -1.06 0.21 0.00 -0.04 0.00 0.00 33.50 33.14 3kcr n PRO 349 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3kcr h LYS 350 N 0.00 0.92 -0.01 0.54 3.64 -1.91 -1.85 116.57 117.90 3kcr h LYS 350 Ca -0.06 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3kcr h LYS 350 Cb 1.10 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3kcr h LYS 350 CO -0.01 0.72 -0.11 0.43 -2.27 0.00 0.00 179.45 178.21 3kcr n SER 351 N -4.34 1.07 0.25 4.20 7.64 -1.26 -3.70 113.62 117.48 3kcr n SER 351 Ca 0.06 -1.03 0.13 0.00 1.01 0.00 0.00 58.87 59.03 3kcr n SER 351 Cb 0.14 0.39 0.66 0.00 -1.01 0.00 0.00 64.21 64.39 3kcr n SER 351 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3kcr h MET 352 N 0.81 0.00 -0.28 1.43 -1.53 -1.72 -2.65 114.93 110.98 3kcr h MET 352 Ca 0.00 0.00 0.03 0.00 -3.44 0.00 0.00 59.70 56.29 3kcr h MET 352 Cb 0.23 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.25 3kcr h MET 352 CO 0.00 0.14 0.10 0.00 0.14 0.00 0.00 176.91 177.29 3kcr h ALA 353 N 1.86 0.32 -0.02 0.39 0.00 -1.43 -3.30 119.26 117.09 3kcr h ALA 353 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kcr h ALA 353 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kcr h ALA 353 CO 0.02 -0.31 -0.30 1.63 0.00 0.00 0.00 179.25 180.30 3kcr n LYS 354 N -5.03 1.57 -0.16 0.00 5.02 -1.03 -4.28 118.16 114.25 3kcr n LYS 354 Ca -0.01 -1.19 -0.07 0.00 -2.02 0.00 0.00 58.31 55.02 3kcr n LYS 354 Cb 0.10 -1.40 0.08 0.00 -0.02 0.00 0.00 35.03 33.79 3kcr n LYS 354 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3kcr h ARG 355 N 2.81 0.94 0.03 1.97 2.43 -1.56 -3.23 114.38 117.76 3kcr h ARG 355 Ca 0.00 -0.29 -0.25 0.00 -0.81 0.00 0.00 59.98 58.63 3kcr h ARG 355 Cb 0.74 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 30.23 3kcr h ARG 355 CO 0.00 0.94 -0.98 -0.84 -1.51 0.00 0.00 179.97 177.58 3kcr h ILE 356 N 0.86 1.32 -3.21 1.20 3.07 -1.79 -3.44 117.51 115.51 3kcr h ILE 356 Ca 0.15 -2.26 -0.65 0.00 1.55 0.00 0.00 64.86 63.65 3kcr h ILE 356 Cb 0.54 2.52 -0.15 0.00 -0.27 0.00 0.00 36.82 39.46 3kcr h ILE 356 CO 0.03 0.69 0.29 -0.75 -1.05 0.00 0.00 178.15 177.36 3kcr s LYS 357 N -3.19 3.21 0.00 0.16 2.47 -1.22 -4.15 119.74 117.02 3kcr s LYS 357 Ca -0.11 -0.62 0.00 0.00 -1.56 0.00 0.00 55.97 53.69 3kcr s LYS 357 Cb 0.06 -4.08 0.00 0.00 -1.46 0.00 0.00 37.83 32.34 3kcr s LYS 357 CO 0.90 -1.36 0.00 0.36 0.16 0.00 0.00 175.35 175.41 3kcr n LYS 358 N 6.79 0.22 -3.57 4.03 2.85 -1.26 -4.72 118.16 122.50 3kcr n LYS 358 Ca -0.03 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.13 3kcr n LYS 358 Cb 0.46 -0.53 -0.02 0.00 -0.65 0.00 0.00 35.03 34.29 3kcr n LYS 358 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3kcr s SER 359 N -1.38 -0.45 0.00 -5.58 1.04 -1.26 -5.03 113.70 101.04 3kcr s SER 359 Ca 0.00 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3kcr s SER 359 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3kcr s SER 359 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 3kcr n GLY 360 N -0.40 0.49 3.43 7.32 0.00 -1.26 -4.99 105.19 109.77 3kcr n GLY 360 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 3kcr n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr s ALA 361 N -2.96 2.52 0.13 4.61 0.00 0.10 -4.66 121.76 121.51 3kcr s ALA 361 Ca 0.00 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.03 3kcr s ALA 361 Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 3kcr s ALA 361 CO 0.00 0.53 -0.19 -0.06 0.00 0.00 0.00 175.76 176.04 3kcr s PHE 362 N -0.65 1.80 0.21 0.00 0.40 -1.26 -3.92 117.98 114.55 3kcr s PHE 362 Ca 0.10 -0.45 -0.09 0.00 -0.60 0.00 0.00 56.93 55.90 3kcr s PHE 362 Cb -0.11 -0.94 0.15 0.00 0.51 0.00 0.00 43.02 42.64 3kcr s PHE 362 CO 0.00 0.27 1.79 0.28 0.70 0.00 0.00 175.22 178.26 3kcr h VAL 363 N 3.65 1.25 -3.69 -0.44 2.07 -1.78 -3.43 116.25 113.87 3kcr h VAL 363 Ca -0.44 -0.73 -0.52 0.00 0.82 0.00 0.00 66.70 65.84 3kcr h VAL 363 Cb 1.19 0.29 0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3kcr h VAL 363 CO 0.46 0.30 0.57 -2.16 0.02 0.00 0.00 177.57 176.76 3kcr s PRO 364 N -5.66 4.48 0.00 1.57 0.04 -1.26 -5.03 135.00 129.14 3kcr s PRO 364 Ca -0.13 1.99 0.00 0.00 0.04 0.00 0.00 61.00 62.90 3kcr s PRO 364 Cb 0.15 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3kcr s PRO 364 CO 0.82 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 178.23 3kcr n GLY 365 N 1.47 0.79 3.55 0.56 0.00 -1.26 -5.12 105.19 105.18 3kcr n GLY 365 Ca 0.02 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3kcr n GLY 365 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kcr s ILE 366 N 0.00 4.27 -0.74 -0.61 -1.09 -1.26 -5.04 121.20 116.73 3kcr s ILE 366 Ca 0.00 -0.22 0.03 0.00 -2.23 0.00 0.00 60.65 58.23 3kcr s ILE 366 Cb 0.00 -2.90 0.18 0.00 -1.58 0.00 0.00 42.46 38.16 3kcr s ILE 366 CO 0.00 0.48 0.55 -0.13 -1.23 0.00 0.00 174.94 174.61 3kcr s ARG 367 N 0.39 2.64 0.10 2.79 3.00 -1.26 -4.40 118.95 122.21 3kcr s ARG 367 Ca -0.01 -3.31 -0.05 0.00 0.00 0.00 0.00 55.73 52.36 3kcr s ARG 367 Cb -0.13 -3.55 -0.04 0.00 0.00 0.00 0.00 34.95 31.23 3kcr s ARG 367 CO 0.02 -1.27 0.02 -2.30 0.00 0.00 0.00 175.30 171.76 3kcr n PRO 368 N 2.10 0.00 -1.39 3.54 -0.02 -1.26 -4.97 135.00 133.00 3kcr n PRO 368 Ca 0.19 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.62 3kcr n PRO 368 Cb 0.35 -0.25 -0.01 0.00 -0.02 0.00 0.00 33.50 33.57 3kcr n PRO 368 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kcr n GLY 369 N 0.59 0.77 0.09 -1.23 0.00 -1.26 -4.87 105.19 99.28 3kcr n GLY 369 Ca 0.03 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 3kcr n GLY 369 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kcr h GLU 370 N 0.25 0.16 -6.82 1.61 4.81 -1.93 -3.40 114.58 109.25 3kcr h GLU 370 Ca -0.48 -0.09 -0.53 0.00 -0.13 0.00 0.00 59.36 58.13 3kcr h GLU 370 Cb 1.30 0.01 0.06 0.00 0.63 0.00 0.00 28.75 30.75 3kcr h GLU 370 CO -0.24 0.63 0.70 -0.65 -0.73 0.00 0.00 179.01 178.72 3kcr s GLN 371 N -4.14 4.30 -0.08 1.92 -0.21 -1.17 -4.98 119.66 115.30 3kcr s GLN 371 Ca -0.15 2.27 0.03 0.00 0.02 0.00 0.00 55.36 57.53 3kcr s GLN 371 Cb 0.03 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 30.96 3kcr s GLN 371 CO 0.71 -0.31 -0.18 0.95 -2.12 0.00 0.00 175.29 174.34 3kcr s THR 372 N -0.64 1.58 0.18 -0.19 -4.23 -1.26 -5.03 115.64 106.05 3kcr s THR 372 Ca 0.54 -0.75 -0.13 0.00 -1.18 0.00 0.00 61.69 60.16 3kcr s THR 372 Cb -0.41 -1.39 0.08 0.00 1.34 0.00 0.00 72.50 72.12 3kcr s THR 372 CO 0.49 0.45 1.81 0.00 -0.54 0.00 0.00 174.62 176.84 3kcr h ALA 373 N 6.75 0.73 -2.00 3.99 0.00 -1.92 -3.38 119.26 123.42 3kcr h ALA 373 Ca -0.26 -0.07 -0.54 0.00 0.00 0.00 0.00 54.91 54.04 3kcr h ALA 373 Cb 1.21 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 3kcr h ALA 373 CO 0.47 0.22 -0.56 0.15 0.00 0.00 0.00 179.25 179.54 3kcr s LYS 374 N -5.97 2.46 0.00 0.00 1.02 -1.26 -4.22 119.74 111.77 3kcr s LYS 374 Ca -0.13 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.44 3kcr s LYS 374 Cb 0.13 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 3kcr s LYS 374 CO 0.76 0.21 0.00 0.66 -0.92 0.00 0.00 175.35 176.07 3kcr n TYR 375 N -1.11 0.00 -0.88 3.18 0.53 -1.26 -4.97 117.16 112.65 3kcr n TYR 375 Ca -0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.84 3kcr n TYR 375 Cb 0.60 -1.58 0.00 0.00 -1.03 0.00 0.00 39.34 37.33 3kcr n TYR 375 CO 0.00 0.00 0.00 1.51 -1.02 0.00 0.00 176.86 177.35 3kcr n ILE 376 N -0.84 0.00 0.03 -0.72 3.06 -1.26 -4.62 119.36 115.02 3kcr n ILE 376 Ca 0.00 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.13 3kcr n ILE 376 Cb 0.37 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.48 3kcr n ILE 376 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 3kcr h GLU 377 N 0.00 0.01 -0.86 9.51 3.07 -1.89 -2.31 114.58 122.11 3kcr h GLU 377 Ca 0.00 -0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.97 3kcr h GLU 377 Cb 0.04 -0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.87 3kcr h GLU 377 CO 0.00 0.04 0.48 1.12 -1.40 0.00 0.00 179.01 179.25 3kcr h HIS 378 N -0.03 0.87 -0.54 4.33 2.07 -1.91 -0.32 115.15 119.62 3kcr h HIS 378 Ca 0.00 0.03 0.04 0.00 -2.85 0.00 0.00 60.37 57.59 3kcr h HIS 378 Cb 0.04 -0.26 -0.03 0.00 2.57 0.00 0.00 27.41 29.72 3kcr h HIS 378 CO -0.07 0.31 0.36 0.00 -3.07 0.00 0.00 177.93 175.46 3kcr h ARG 379 N 0.77 0.58 0.05 5.12 3.08 -1.80 0.22 114.38 122.40 3kcr h ARG 379 Ca 0.43 -0.03 -0.25 0.00 0.07 0.00 0.00 59.98 60.20 3kcr h ARG 379 Cb 0.47 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.41 3kcr h ARG 379 CO -0.28 0.38 -0.99 -0.07 -1.07 0.00 0.00 179.97 177.94 3kcr h LEU 380 N 0.60 0.78 -1.21 3.04 -0.00 -1.36 -2.74 115.31 114.42 3kcr h LEU 380 Ca 0.22 -0.79 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 3kcr h LEU 380 Cb 0.12 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.54 3kcr h LEU 380 CO -0.06 1.48 0.00 0.29 -0.00 0.00 0.00 178.44 180.15 3kcr n LYS 381 N -3.94 1.76 -0.02 1.13 5.02 -0.12 -0.19 118.16 121.80 3kcr n LYS 381 Ca -0.12 -0.78 -0.02 0.00 -2.02 0.00 0.00 58.31 55.36 3kcr n LYS 381 Cb 0.86 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 34.42 3kcr n LYS 381 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3kcr n ARG 382 N 0.13 2.16 0.05 1.97 0.00 -0.13 -4.72 116.66 116.12 3kcr n ARG 382 Ca 0.07 0.01 -0.20 0.00 -0.00 0.00 0.00 57.85 57.73 3kcr n ARG 382 Cb 0.34 -1.09 -0.15 0.00 0.00 0.00 0.00 32.46 31.56 3kcr n ARG 382 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 3kcr h TYR 383 N 0.00 0.57 -3.32 -0.14 0.99 -1.07 -3.42 116.97 110.59 3kcr h TYR 383 Ca -0.10 -0.41 -0.62 0.00 2.00 0.00 0.00 58.73 59.60 3kcr h TYR 383 Cb 1.20 -0.02 -0.34 0.00 1.00 0.00 0.00 36.73 38.57 3kcr h TYR 383 CO 0.00 1.32 -0.85 0.42 -0.00 0.00 0.00 178.16 179.05 3kcr s ILE 384 N -2.47 1.70 1.02 -2.88 1.01 0.73 -3.22 121.20 117.09 3kcr s ILE 384 Ca -0.13 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.59 3kcr s ILE 384 Cb 0.01 -1.50 0.11 0.00 0.01 0.00 0.00 42.46 41.09 3kcr s ILE 384 CO 0.84 0.48 0.53 -2.65 0.00 0.00 0.00 174.94 174.14 3kcr n PRO 385 N 3.83 -0.96 -3.14 2.79 -0.02 -1.26 -4.09 135.00 132.15 3kcr n PRO 385 Ca -0.20 -0.24 -0.44 0.00 -2.02 0.00 0.00 63.50 60.60 3kcr n PRO 385 Cb 0.52 -1.96 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 3kcr n PRO 385 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kcr s PRO 386 N -3.88 3.09 0.00 0.52 0.04 -1.20 -4.69 135.00 128.88 3kcr s PRO 386 Ca 0.60 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 60.57 3kcr s PRO 386 Cb -0.20 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.18 3kcr s PRO 386 CO 0.65 -1.35 0.00 -0.11 0.04 0.00 0.00 177.00 176.24 3kcr n LEU 387 N 6.22 0.00 0.00 -3.56 7.94 -1.26 -3.76 117.00 122.58 3kcr n LEU 387 Ca -0.08 -0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 3kcr n LEU 387 Cb 0.44 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.39 3kcr n LEU 387 CO 0.56 0.26 0.00 0.35 -1.11 0.00 0.00 177.39 177.44 3kcr n THR 388 N 0.00 0.00 -3.91 1.96 -2.24 -1.26 -1.84 114.28 106.99 3kcr n THR 388 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 3kcr n THR 388 Cb 0.24 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3kcr n THR 388 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3kcr s VAL 389 N -0.17 0.00 0.00 2.28 -7.23 -1.26 -4.58 120.40 109.43 3kcr s VAL 389 Ca 0.00 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 3kcr s VAL 389 Cb 0.00 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 34.13 3kcr s VAL 389 CO 0.00 0.00 0.00 0.23 -0.31 0.00 0.00 175.10 175.02 3kcr n MET 390 N -0.55 0.00 -0.19 4.82 2.81 -1.26 -4.39 117.12 118.35 3kcr n MET 390 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 3kcr n MET 390 Cb 0.60 -2.32 0.00 0.00 -0.71 0.00 0.00 33.22 30.79 3kcr n MET 390 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3kcr n SER 391 N 0.00 0.00 -0.01 7.83 7.64 -1.26 -4.80 113.62 123.02 3kcr n SER 391 Ca 0.00 -1.11 -0.12 0.00 1.01 0.00 0.00 58.87 58.64 3kcr n SER 391 Cb 0.00 -0.02 -0.10 0.00 -1.01 0.00 0.00 64.21 63.08 3kcr n SER 391 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3kcr h SER 392 N 0.00 -0.06 -0.96 6.43 4.64 -1.87 0.01 113.55 121.74 3kcr h SER 392 Ca 0.00 -0.56 0.13 0.00 -0.47 0.00 0.00 61.79 60.88 3kcr h SER 392 Cb 1.05 0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 63.01 3kcr h SER 392 CO 0.00 0.57 -0.45 0.00 -0.87 0.00 0.00 176.83 176.08 3kcr n ALA 393 N -2.48 -0.30 -0.10 5.18 0.00 -1.26 -0.98 120.51 120.57 3kcr n ALA 393 Ca -0.09 0.90 -0.11 0.00 0.00 0.00 0.00 53.44 54.15 3kcr n ALA 393 Cb 0.31 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.40 3kcr n ALA 393 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3kcr h PHE 394 N 0.00 0.59 -0.60 0.00 3.57 -1.86 -1.16 116.94 117.48 3kcr h PHE 394 Ca 0.27 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 3kcr h PHE 394 Cb 0.51 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3kcr h PHE 394 CO -0.90 0.68 -0.01 0.28 -2.23 0.00 0.00 178.31 176.13 3kcr h VAL 395 N 0.33 1.27 -0.26 1.41 2.07 -0.87 -0.35 116.25 119.84 3kcr h VAL 395 Ca 0.08 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 3kcr h VAL 395 Cb 0.45 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3kcr h VAL 395 CO 0.02 0.43 -0.15 1.23 0.02 0.00 0.00 177.57 179.12 3kcr h GLY 396 N 0.97 0.47 0.85 2.17 0.00 -0.90 0.85 103.07 107.49 3kcr h GLY 396 Ca 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3kcr h GLY 396 CO 0.03 0.31 -0.11 -2.75 0.00 0.00 0.00 176.54 174.02 3kcr h PHE 397 N 0.41 -0.27 -0.64 5.60 3.57 -1.04 -2.43 116.94 122.13 3kcr h PHE 397 Ca 0.07 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 3kcr h PHE 397 Cb 0.50 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 3kcr h PHE 397 CO 0.01 -0.06 0.25 1.25 -2.23 0.00 0.00 178.31 177.54 3kcr h LEU 398 N -0.45 0.89 -0.76 0.59 5.85 -0.60 -1.21 115.31 119.62 3kcr h LEU 398 Ca -0.03 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3kcr h LEU 398 Cb 0.34 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3kcr h LEU 398 CO 0.05 0.82 0.42 0.00 -0.34 0.00 0.00 178.44 179.39 3kcr h ALA 399 N 1.10 0.98 -0.13 1.25 0.00 -0.93 -0.76 119.26 120.77 3kcr h ALA 399 Ca 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kcr h ALA 399 Cb 0.21 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kcr h ALA 399 CO -0.02 0.49 -0.00 1.15 0.00 0.00 0.00 179.25 180.87 3kcr h THR 400 N 1.06 1.26 0.00 0.00 2.02 -0.85 -2.88 112.91 113.51 3kcr h THR 400 Ca 0.27 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 3kcr h THR 400 Cb 0.03 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3kcr h THR 400 CO -0.04 0.24 -0.24 -0.29 0.37 0.00 0.00 175.52 175.55 3kcr h ILE 401 N -0.03 0.55 0.00 3.11 2.10 -1.24 -1.29 117.51 120.69 3kcr h ILE 401 Ca 0.04 -1.26 0.00 0.00 1.08 0.00 0.00 64.86 64.72 3kcr h ILE 401 Cb 0.37 1.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.97 3kcr h ILE 401 CO 0.01 0.24 0.00 0.00 -1.08 0.00 0.00 178.15 177.32 3kcr h ALA 402 N 1.76 1.00 0.00 0.18 0.00 -0.97 -2.03 119.26 119.20 3kcr h ALA 402 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 3kcr h ALA 402 Cb 0.85 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3kcr h ALA 402 CO 0.03 0.00 -2.29 0.09 0.00 0.00 0.00 179.25 177.08 3kcr n ASN 403 N -2.87 0.08 -0.08 0.00 5.03 -0.57 -2.99 115.26 113.87 3kcr n ASN 403 Ca -0.02 0.04 -0.06 0.00 0.87 0.00 0.00 54.58 55.41 3kcr n ASN 403 Cb 0.11 0.99 0.13 0.00 -1.02 0.00 0.00 39.78 39.99 3kcr n ASN 403 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 3kcr h PHE 404 N 0.00 0.82 -0.69 3.10 0.05 -0.81 -1.56 116.94 117.85 3kcr h PHE 404 Ca -0.48 -0.16 -0.01 0.00 3.82 0.00 0.00 57.97 61.14 3kcr h PHE 404 Cb 2.11 -0.21 -0.03 0.00 2.00 0.00 0.00 35.95 39.82 3kcr h PHE 404 CO 0.00 0.84 0.39 0.97 -0.18 0.00 0.00 178.31 180.33 3kcr h ILE 405 N 0.67 1.21 -0.02 -0.55 6.09 -1.56 -3.29 117.51 120.06 3kcr h ILE 405 Ca 0.11 -0.52 0.00 0.00 -1.37 0.00 0.00 64.86 63.08 3kcr h ILE 405 Cb 0.62 0.30 -0.00 0.00 0.47 0.00 0.00 36.82 38.20 3kcr h ILE 405 CO 0.04 0.23 -0.01 0.61 -3.07 0.00 0.00 178.15 175.95 3kcr n GLY 406 N -1.09 -2.70 3.75 8.18 0.00 -0.59 -3.88 105.19 108.86 3kcr n GLY 406 Ca 0.06 -1.38 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 3kcr n GLY 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr s ALA 407 N -3.46 -1.41 0.01 4.61 0.00 -1.26 -4.39 121.76 115.85 3kcr s ALA 407 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.76 3kcr s ALA 407 Cb 0.00 0.78 -0.06 0.00 0.00 0.00 0.00 23.12 23.85 3kcr s ALA 407 CO 0.00 -0.98 0.52 -1.17 0.00 0.00 0.00 175.76 174.13 3kcr s LEU 408 N -2.88 4.45 0.00 0.00 2.96 -1.25 -3.33 118.68 118.64 3kcr s LEU 408 Ca 0.09 1.10 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 3kcr s LEU 408 Cb -0.04 -2.79 0.00 0.00 0.50 0.00 0.00 46.19 43.86 3kcr s LEU 408 CO 0.02 0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.86 3kcr n GLY 409 N 2.16 0.79 0.06 7.98 0.00 -1.26 -4.73 105.19 110.18 3kcr n GLY 409 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3kcr n GLY 409 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 410 N -2.38 -1.98 0.28 -0.02 0.00 -1.21 -4.01 105.19 95.88 3kcr n GLY 410 Ca 0.00 -1.06 0.03 0.00 0.00 0.00 0.00 46.02 45.00 3kcr n GLY 410 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kcr h GLY 411 N 0.00 0.43 1.68 -0.02 0.00 -1.73 0.63 103.07 104.06 3kcr h GLY 411 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 46.91 3kcr h GLY 411 CO 0.00 0.19 -1.18 0.00 0.00 0.00 0.00 176.54 175.55 3kcr h THR 412 N 0.40 1.38 -0.13 4.70 1.03 -1.80 -2.89 112.91 115.60 3kcr h THR 412 Ca 0.10 -3.10 -0.20 0.00 -0.01 0.00 0.00 66.41 63.21 3kcr h THR 412 Cb 0.10 2.67 0.00 0.00 -1.07 0.00 0.00 68.15 69.86 3kcr h THR 412 CO -0.01 0.78 -0.72 1.23 -0.01 0.00 0.00 175.52 176.79 3kcr h GLY 413 N 3.20 0.65 0.71 2.99 0.00 -1.61 -1.03 103.07 107.98 3kcr h GLY 413 Ca -0.09 -0.90 0.06 0.00 0.00 0.00 0.00 47.33 46.40 3kcr h GLY 413 CO 0.11 0.80 0.50 -2.08 0.00 0.00 0.00 176.54 175.87 3kcr h VAL 414 N 0.41 1.03 -0.04 4.60 2.07 -1.00 -0.17 116.25 123.15 3kcr h VAL 414 Ca -0.03 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 3kcr h VAL 414 Cb 1.32 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3kcr h VAL 414 CO 0.14 0.17 0.02 0.25 0.02 0.00 0.00 177.57 178.16 3kcr h LEU 415 N 0.91 0.06 -0.67 2.57 6.46 -1.18 -0.70 115.31 122.77 3kcr h LEU 415 Ca 0.36 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.92 3kcr h LEU 415 Cb 0.18 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 3kcr h LEU 415 CO -0.18 0.22 0.32 -0.07 -0.62 0.00 0.00 178.44 178.11 3kcr h LEU 416 N -0.11 0.89 -0.35 2.25 3.38 -1.15 -3.19 115.31 117.03 3kcr h LEU 416 Ca 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3kcr h LEU 416 Cb 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3kcr h LEU 416 CO -0.00 0.77 0.17 0.74 0.09 0.00 0.00 178.44 180.22 3kcr h THR 417 N 0.94 1.16 -0.45 0.22 2.02 -0.75 -1.08 112.91 114.97 3kcr h THR 417 Ca 0.23 -0.44 0.05 0.00 0.77 0.00 0.00 66.41 67.02 3kcr h THR 417 Cb 0.13 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 3kcr h THR 417 CO -0.03 0.17 0.18 0.58 0.37 0.00 0.00 175.52 176.79 3kcr h VAL 418 N 0.43 0.89 -0.30 3.16 2.07 -1.20 0.18 116.25 121.49 3kcr h VAL 418 Ca 0.12 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3kcr h VAL 418 Cb 0.11 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3kcr h VAL 418 CO -0.02 0.07 -0.02 0.28 0.02 0.00 0.00 177.57 177.90 3kcr h SER 419 N 0.36 0.55 -0.57 0.57 0.02 -1.49 0.63 113.55 113.61 3kcr h SER 419 Ca 0.21 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 3kcr h SER 419 Cb 0.18 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3kcr h SER 419 CO -0.19 0.74 0.28 0.40 -1.14 0.00 0.00 176.83 176.92 3kcr h ILE 420 N 0.34 1.20 -0.58 3.27 2.04 -1.04 -1.06 117.51 121.68 3kcr h ILE 420 Ca 0.08 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 3kcr h ILE 420 Cb 0.48 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3kcr h ILE 420 CO 0.02 0.23 0.25 0.58 0.00 0.00 0.00 178.15 179.24 3kcr h VAL 421 N 0.77 1.22 -0.28 1.67 2.07 -0.88 -0.14 116.25 120.69 3kcr h VAL 421 Ca 0.20 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 3kcr h VAL 421 Cb 0.11 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3kcr h VAL 421 CO -0.03 0.26 -0.14 0.22 0.02 0.00 0.00 177.57 177.90 3kcr h TYR 422 N 0.80 0.68 0.00 1.57 3.20 -0.44 0.25 116.97 123.03 3kcr h TYR 422 Ca 0.20 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3kcr h TYR 422 Cb 0.16 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 3kcr h TYR 422 CO 0.00 0.83 -0.16 0.07 -1.64 0.00 0.00 178.16 177.27 3kcr h ARG 423 N 0.32 0.00 -0.21 1.82 0.11 -1.13 -2.97 114.38 112.32 3kcr h ARG 423 Ca 0.06 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.11 3kcr h ARG 423 Cb 0.66 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.73 3kcr h ARG 423 CO 0.04 0.16 0.02 1.98 0.10 0.00 0.00 179.97 182.27 3kcr h MET 424 N 0.00 0.36 -0.46 0.08 4.05 -0.80 -3.34 114.93 114.83 3kcr h MET 424 Ca -0.00 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.29 3kcr h MET 424 Cb 0.30 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 3kcr h MET 424 CO 0.02 0.53 0.18 -0.92 0.23 0.00 0.00 176.91 176.95 3kcr h TYR 425 N 0.14 0.70 0.00 1.39 3.20 -0.33 -0.54 116.97 121.54 3kcr h TYR 425 Ca 0.06 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 3kcr h TYR 425 Cb 0.35 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3kcr h TYR 425 CO 0.03 0.60 -0.31 1.05 -1.64 0.00 0.00 178.16 177.89 3kcr h GLU 426 N 0.60 0.00 -0.42 1.82 4.11 -1.75 -2.08 114.58 116.87 3kcr h GLU 426 Ca 0.15 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.50 3kcr h GLU 426 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3kcr h GLU 426 CO -0.01 0.31 -0.09 1.96 0.07 0.00 0.00 179.01 181.25 3kcr h GLN 427 N 0.00 0.73 -0.31 1.06 4.20 -1.22 0.21 115.11 119.77 3kcr h GLN 427 Ca -0.00 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 3kcr h GLN 427 Cb 0.63 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3kcr h GLN 427 CO 0.04 0.80 0.16 -0.07 -0.67 0.00 0.00 178.83 179.10 3kcr h LEU 428 N 0.67 0.37 0.00 1.46 3.38 -0.94 -3.06 115.31 117.19 3kcr h LEU 428 Ca 0.12 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3kcr h LEU 428 Cb 0.54 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3kcr h LEU 428 CO 0.03 0.31 -1.51 0.18 0.09 0.00 0.00 178.44 177.54 3kcr n LEU 429 N -4.45 0.60 -0.16 1.67 4.77 -0.92 -4.73 117.00 113.77 3kcr n LEU 429 Ca 0.02 0.25 -0.06 0.00 -0.03 0.00 0.00 56.01 56.19 3kcr n LEU 429 Cb 0.10 0.06 0.11 0.00 -2.33 0.00 0.00 43.42 41.36 3kcr n LEU 429 CO 0.36 0.05 0.88 -0.09 -1.33 0.00 0.00 177.39 177.25 3kcr h ARG 430 N 0.00 0.92 -0.38 3.23 2.43 -0.49 -3.27 114.38 116.82 3kcr h ARG 430 Ca -0.12 -0.26 -0.09 0.00 -0.81 0.00 0.00 59.98 58.71 3kcr h ARG 430 Cb 1.36 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3kcr h ARG 430 CO 0.02 0.90 -0.10 0.93 -1.51 0.00 0.00 179.97 180.21 3kcr h GLU 431 N 0.86 0.74 -0.52 0.20 5.08 -1.85 -3.39 114.58 115.71 3kcr h GLU 431 Ca 0.17 -0.29 0.15 0.00 -1.00 0.00 0.00 59.36 58.39 3kcr h GLU 431 Cb 0.47 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3kcr h GLU 431 CO 0.02 0.89 0.39 0.87 -1.00 0.00 0.00 179.01 180.18 3kcr h LYS 432 N 0.54 0.00 0.03 2.33 1.57 -1.93 -3.33 116.57 115.78 3kcr h LYS 432 Ca 0.10 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.53 3kcr h LYS 432 Cb 0.62 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 3kcr h LYS 432 CO 0.04 0.00 -2.10 0.28 -0.57 0.00 0.00 179.45 177.10 3kcr n VAL 433 N -4.28 1.58 -0.85 0.50 0.31 -1.26 -4.39 118.33 109.94 3kcr n VAL 433 Ca 0.09 -0.73 0.08 0.00 -0.01 0.00 0.00 64.34 63.77 3kcr n VAL 433 Cb 0.61 -1.16 0.34 0.00 -0.91 0.00 0.00 33.84 32.71 3kcr n VAL 433 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kcr n SER 434 N -3.13 4.84 -1.29 4.52 7.64 -1.25 -3.67 113.62 121.27 3kcr n SER 434 Ca -0.30 -2.83 0.11 0.00 1.01 0.00 0.00 58.87 56.85 3kcr n SER 434 Cb 1.06 -0.60 0.31 0.00 -1.01 0.00 0.00 64.21 63.97 3kcr n SER 434 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3kcr n GLU 435 N 0.33 2.65 -0.35 1.43 0.28 -1.26 -2.62 120.64 121.09 3kcr n GLU 435 Ca 0.25 -2.50 0.06 0.00 -0.16 0.00 0.00 57.16 54.80 3kcr n GLU 435 Cb 1.01 -1.55 0.21 0.00 1.43 0.00 0.00 31.44 32.54 3kcr n GLU 435 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3kcr n LEU 436 N 1.51 2.94 -0.66 -1.84 4.77 -1.24 -5.01 117.00 117.47 3kcr n LEU 436 Ca 0.23 -1.48 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 3kcr n LEU 436 Cb 0.60 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kcr n LEU 436 CO 0.16 0.53 -0.20 1.41 -1.33 0.00 0.00 177.39 177.96 3kcr n HIS 437 N 0.59 -1.81 -1.86 -1.77 8.25 -1.08 -4.95 115.22 112.58 3kcr n HIS 437 Ca 0.15 0.97 -0.32 0.00 -0.26 0.00 0.00 57.72 58.27 3kcr n HIS 437 Cb 0.56 -1.92 0.02 0.00 1.12 0.00 0.00 29.99 29.77 3kcr n HIS 437 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3kcr s PRO 438 N -4.81 3.28 0.30 -0.41 0.04 -1.21 -4.70 135.00 127.50 3kcr s PRO 438 Ca 0.00 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 3kcr s PRO 438 Cb 0.00 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 3kcr s PRO 438 CO 0.00 -0.83 1.19 0.00 0.04 0.00 0.00 177.00 177.40 3kcr s ALA 439 N -2.84 3.45 0.35 8.56 0.00 -1.26 -5.01 121.76 125.01 3kcr s ALA 439 Ca 0.59 1.05 -0.06 0.00 0.00 0.00 0.00 51.96 53.54 3kcr s ALA 439 Cb -0.14 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.61 3kcr s ALA 439 CO 0.46 -0.36 0.54 0.96 0.00 0.00 0.00 175.76 177.37 3kcr s ILE 440 N -1.12 0.00 0.00 0.00 -4.36 -1.26 -5.04 121.20 109.42 3kcr s ILE 440 Ca 0.46 -1.47 0.00 0.00 -0.26 0.00 0.00 60.65 59.39 3kcr s ILE 440 Cb -0.35 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 40.68 3kcr s ILE 440 CO 0.46 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.64 3kcr n ALA 441 N -0.55 -0.34 -1.12 2.27 0.00 -1.26 -5.02 120.51 114.49 3kcr n ALA 441 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kcr n ALA 441 Cb 0.61 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3kcr n ALA 441 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kcr n LYS 442 N -0.92 0.00 0.00 0.00 5.02 -1.26 -4.01 118.16 116.98 3kcr n LYS 442 Ca 0.00 -0.15 0.14 0.00 -2.02 0.00 0.00 58.31 56.28 3kcr n LYS 442 Cb 0.31 -0.44 0.45 0.00 -0.02 0.00 0.00 35.03 35.34 3kcr n LYS 442 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77