#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcv s HIS 30 N 0.00 -0.59 0.15 2.13 5.65 -1.26 -5.10 115.29 116.27 3kcv s HIS 30 Ca 0.00 1.27 -0.24 0.00 0.25 0.00 0.00 55.06 56.34 3kcv s HIS 30 Cb 0.00 0.26 0.03 0.00 -1.18 0.00 0.00 32.58 31.68 3kcv s HIS 30 CO 0.00 -0.33 1.61 -1.35 -0.65 0.00 0.00 174.74 174.02 3kcv h PRO 31 N 7.03 -0.28 0.00 2.88 0.11 -2.05 -0.93 132.00 138.77 3kcv h PRO 31 Ca -0.36 0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.63 3kcv h PRO 31 Cb 1.18 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3kcv h PRO 31 CO 0.29 -0.19 -0.63 1.25 -0.21 0.00 0.00 178.00 178.52 3kcv h LEU 32 N -0.29 0.00 -0.23 2.35 6.46 -1.99 -1.03 115.31 120.59 3kcv h LEU 32 Ca 0.14 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.96 3kcv h LEU 32 Cb 0.52 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.38 3kcv h LEU 32 CO -0.44 0.63 -0.19 0.50 -0.62 0.00 0.00 178.44 178.32 3kcv h LYS 33 N 0.00 -0.18 -0.25 1.25 3.64 -1.73 -1.56 116.57 117.73 3kcv h LYS 33 Ca -0.01 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3kcv h LYS 33 Cb 1.13 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3kcv h LYS 33 CO 0.08 -0.12 0.12 1.15 -2.27 0.00 0.00 179.45 178.41 3kcv h THR 34 N -0.19 1.14 -0.93 1.00 2.02 -0.69 -0.89 112.91 114.37 3kcv h THR 34 Ca 0.13 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.95 3kcv h THR 34 Cb 0.39 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 3kcv h THR 34 CO -0.34 0.14 0.60 0.15 0.37 0.00 0.00 175.52 176.44 3kcv h PHE 35 N 0.28 1.12 -0.52 3.16 3.57 -1.06 0.12 116.94 123.61 3kcv h PHE 35 Ca 0.09 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 3kcv h PHE 35 Cb 0.11 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 3kcv h PHE 35 CO -0.02 0.63 -0.06 -0.92 -2.23 0.00 0.00 178.31 175.70 3kcv h TYR 36 N 1.14 1.06 -0.56 0.41 3.20 -1.06 0.15 116.97 121.31 3kcv h TYR 36 Ca 0.38 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3kcv h TYR 36 Cb 0.05 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 3kcv h TYR 36 CO -0.01 0.99 0.29 -0.07 -1.64 0.00 0.00 178.16 177.72 3kcv h LEU 37 N 0.83 0.70 -0.45 2.82 3.38 -0.50 -0.50 115.31 121.58 3kcv h LEU 37 Ca 0.14 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3kcv h LEU 37 Cb 0.61 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3kcv h LEU 37 CO 0.04 0.58 0.12 0.00 0.09 0.00 0.00 178.44 179.27 3kcv h ALA 38 N 1.53 0.59 -0.91 1.53 0.00 -0.22 -1.22 119.26 120.56 3kcv h ALA 38 Ca 0.20 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kcv h ALA 38 Cb 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3kcv h ALA 38 CO -0.03 0.26 0.60 0.82 0.00 0.00 0.00 179.25 180.90 3kcv h ILE 39 N 0.59 1.21 -0.54 0.00 2.04 -0.54 -1.27 117.51 119.01 3kcv h ILE 39 Ca 0.14 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 3kcv h ILE 39 Cb 0.30 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 3kcv h ILE 39 CO -0.00 0.22 -0.03 0.74 0.00 0.00 0.00 178.15 179.07 3kcv h THR 40 N 1.21 1.26 -0.33 -0.27 2.02 -0.72 -1.61 112.91 114.46 3kcv h THR 40 Ca 0.34 -1.14 -0.12 0.00 0.77 0.00 0.00 66.41 66.26 3kcv h THR 40 Cb -0.10 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3kcv h THR 40 CO -0.08 0.41 -0.29 0.00 0.37 0.00 0.00 175.52 175.92 3kcv h ALA 41 N 1.09 0.86 -0.79 6.16 0.00 -0.88 0.19 119.26 125.89 3kcv h ALA 41 Ca 0.15 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3kcv h ALA 41 Cb 0.56 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3kcv h ALA 41 CO 0.03 0.63 0.52 0.78 0.00 0.00 0.00 179.25 181.21 3kcv h GLY 42 N 0.98 1.11 1.14 0.00 0.00 -0.85 0.23 103.07 105.68 3kcv h GLY 42 Ca 0.07 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 3kcv h GLY 42 CO 0.07 0.39 -0.26 -2.08 0.00 0.00 0.00 176.54 174.66 3kcv h VAL 43 N 1.05 1.27 -0.16 4.60 2.07 -1.12 -2.27 116.25 121.68 3kcv h VAL 43 Ca 0.29 -1.42 0.02 0.00 0.82 0.00 0.00 66.70 66.42 3kcv h VAL 43 Cb -0.10 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3kcv h VAL 43 CO -0.07 0.49 0.01 -0.26 0.02 0.00 0.00 177.57 177.76 3kcv h PHE 44 N 0.83 0.01 -0.04 1.57 -1.00 -0.05 -0.18 116.94 118.08 3kcv h PHE 44 Ca 0.10 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.79 3kcv h PHE 44 Cb 0.84 0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.40 3kcv h PHE 44 CO 0.05 -0.01 -0.44 0.97 -1.61 0.00 0.00 178.31 177.27 3kcv h ILE 45 N 0.07 1.32 0.26 -0.55 6.09 -0.60 -1.87 117.51 122.23 3kcv h ILE 45 Ca 0.08 -1.55 -0.01 0.00 -1.37 0.00 0.00 64.86 62.00 3kcv h ILE 45 Cb 0.09 1.79 0.00 0.00 0.47 0.00 0.00 36.82 39.17 3kcv h ILE 45 CO -0.12 0.45 -0.13 0.28 -3.07 0.00 0.00 178.15 175.57 3kcv h SER 46 N 0.07 -0.30 -1.02 2.19 0.02 -1.05 -1.99 113.55 111.49 3kcv h SER 46 Ca 0.00 -0.14 0.28 0.00 -0.84 0.00 0.00 61.79 61.10 3kcv h SER 46 Cb 0.81 0.08 -0.13 0.00 0.14 0.00 0.00 62.40 63.30 3kcv h SER 46 CO 0.06 -0.03 0.60 0.40 -1.14 0.00 0.00 176.83 176.72 3kcv h ILE 47 N -0.57 0.43 0.53 3.27 2.04 -0.86 0.90 117.51 123.24 3kcv h ILE 47 Ca -0.04 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3kcv h ILE 47 Cb 0.42 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3kcv h ILE 47 CO 0.06 0.08 -0.33 0.00 0.00 0.00 0.00 178.15 177.96 3kcv h ALA 48 N 1.76 -0.84 -0.46 1.87 0.00 -0.77 -1.58 119.26 119.24 3kcv h ALA 48 Ca 0.68 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 3kcv h ALA 48 Cb 1.46 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 3kcv h ALA 48 CO -0.51 -0.99 0.18 0.74 0.00 0.00 0.00 179.25 178.67 3kcv h PHE 49 N -0.82 0.66 -0.30 0.00 0.04 -0.37 -1.96 116.94 114.19 3kcv h PHE 49 Ca -0.06 -0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.69 3kcv h PHE 49 Cb 0.68 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 3kcv h PHE 49 CO -0.10 0.53 0.16 0.28 -0.60 0.00 0.00 178.31 178.57 3kcv h VAL 50 N 0.66 1.02 -0.79 -0.55 2.07 -0.73 -1.00 116.25 116.92 3kcv h VAL 50 Ca 0.16 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.65 3kcv h VAL 50 Cb 0.15 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 3kcv h VAL 50 CO -0.01 0.06 0.44 0.15 0.02 0.00 0.00 177.57 178.23 3kcv h PHE 51 N 0.34 0.80 -0.03 1.57 3.57 -0.88 0.19 116.94 122.50 3kcv h PHE 51 Ca 0.12 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3kcv h PHE 51 Cb 0.02 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 3kcv h PHE 51 CO -0.08 0.33 0.01 -0.92 -2.23 0.00 0.00 178.31 175.42 3kcv h TYR 52 N 0.76 0.05 0.33 0.41 3.20 -0.66 0.42 116.97 121.48 3kcv h TYR 52 Ca 0.37 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 3kcv h TYR 52 Cb 0.33 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3kcv h TYR 52 CO -0.07 0.19 -0.26 0.82 -1.64 0.00 0.00 178.16 177.20 3kcv h ILE 53 N -0.10 0.46 -0.77 1.81 1.08 -1.09 -1.72 117.51 117.18 3kcv h ILE 53 Ca 0.01 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.65 3kcv h ILE 53 Cb 0.16 0.46 -0.14 0.00 -3.07 0.00 0.00 36.82 34.22 3kcv h ILE 53 CO -0.00 0.00 -0.05 0.74 -0.69 0.00 0.00 178.15 178.15 3kcv h THR 54 N -0.59 0.29 -0.02 -0.27 2.02 -0.72 -1.52 112.91 112.10 3kcv h THR 54 Ca -0.02 -0.02 -0.18 0.00 0.77 0.00 0.00 66.41 66.96 3kcv h THR 54 Cb 0.52 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3kcv h THR 54 CO -0.01 0.01 -0.78 0.00 0.37 0.00 0.00 175.52 175.12 3kcv h ALA 55 N 1.74 0.64 -0.41 6.16 0.00 -0.74 -3.24 119.26 123.41 3kcv h ALA 55 Ca 0.41 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kcv h ALA 55 Cb 0.71 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3kcv h ALA 55 CO -0.72 0.85 0.00 0.25 0.00 0.00 0.00 179.25 179.63 3kcv n THR 56 N -3.74 0.54 -2.54 0.00 -2.24 -0.66 -4.89 114.28 100.75 3kcv n THR 56 Ca -0.03 -0.63 -0.43 0.00 -2.27 0.00 0.00 64.05 60.69 3kcv n THR 56 Cb 0.74 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 69.45 3kcv n THR 56 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kcv s THR 57 N -1.46 4.47 0.00 4.28 2.01 -0.62 -3.87 115.64 120.45 3kcv s THR 57 Ca 0.35 1.78 0.00 0.00 0.31 0.00 0.00 61.69 64.13 3kcv s THR 57 Cb 0.19 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.56 3kcv s THR 57 CO 0.26 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 3kcv n GLY 58 N 3.47 0.65 1.60 4.40 0.00 -1.26 -5.02 105.19 109.03 3kcv n GLY 58 Ca 0.13 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.63 3kcv n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kcv n THR 59 N -1.51 1.01 0.17 2.61 -2.24 -1.25 -4.70 114.28 108.38 3kcv n THR 59 Ca 0.00 -2.22 0.05 0.00 -2.27 0.00 0.00 64.05 59.61 3kcv n THR 59 Cb 0.47 0.56 0.26 0.00 -2.10 0.00 0.00 70.33 69.52 3kcv n THR 59 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3kcv h GLY 60 N 1.43 0.00 1.06 3.38 0.00 -1.95 -3.06 103.07 103.92 3kcv h GLY 60 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3kcv h GLY 60 CO 0.16 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.40 3kcv n THR 61 N -3.47 0.07 -4.05 4.70 -2.24 -1.26 -4.75 114.28 103.27 3kcv n THR 61 Ca 0.00 0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 3kcv n THR 61 Cb 0.57 -0.81 -0.14 0.00 -2.10 0.00 0.00 70.33 67.85 3kcv n THR 61 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3kcv s MET 62 N -2.06 0.29 0.01 -0.78 -2.45 -1.16 -5.11 119.30 108.06 3kcv s MET 62 Ca 0.19 -0.19 -0.37 0.00 -1.25 0.00 0.00 55.69 54.08 3kcv s MET 62 Cb 0.09 -0.25 -0.16 0.00 1.25 0.00 0.00 34.83 35.77 3kcv s MET 62 CO 0.16 0.07 1.50 -2.30 1.05 0.00 0.00 175.02 175.50 3kcv n PRO 63 N 2.82 1.40 -0.07 4.11 -0.02 -1.26 -4.79 135.00 137.20 3kcv n PRO 63 Ca -0.14 0.51 -0.02 0.00 -2.02 0.00 0.00 63.50 61.83 3kcv n PRO 63 Cb 0.58 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 3kcv n PRO 63 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kcv n PHE 64 N 3.55 -0.07 0.14 6.00 7.35 -1.26 -1.64 117.46 131.53 3kcv n PHE 64 Ca 0.20 0.21 0.04 0.00 -0.76 0.00 0.00 57.45 57.14 3kcv n PHE 64 Cb 0.20 -0.44 0.46 0.00 0.35 0.00 0.00 39.48 40.06 3kcv n PHE 64 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 3kcv h GLY 65 N 0.00 0.23 1.26 7.13 0.00 -1.95 -1.82 103.07 107.92 3kcv h GLY 65 Ca 0.03 -0.12 -0.18 0.00 0.00 0.00 0.00 47.33 47.07 3kcv h GLY 65 CO -0.16 0.11 -0.53 1.98 0.00 0.00 0.00 176.54 177.94 3kcv h MET 66 N 0.21 0.78 -0.32 4.80 4.05 -1.68 0.81 114.93 123.57 3kcv h MET 66 Ca 0.05 -0.48 -0.17 0.00 -0.28 0.00 0.00 59.70 58.82 3kcv h MET 66 Cb 0.22 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 3kcv h MET 66 CO 0.01 1.11 -0.45 0.00 0.23 0.00 0.00 176.91 177.80 3kcv h ALA 67 N 0.79 0.58 0.00 0.39 0.00 -1.03 -1.56 119.26 118.44 3kcv h ALA 67 Ca 0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 3kcv h ALA 67 Cb 1.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3kcv h ALA 67 CO 0.11 0.68 -0.60 0.87 0.00 0.00 0.00 179.25 180.31 3kcv h LYS 68 N 0.67 0.00 -0.34 0.00 6.56 -1.33 -1.31 116.57 120.81 3kcv h LYS 68 Ca 0.04 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.55 3kcv h LYS 68 Cb 1.04 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.69 3kcv h LYS 68 CO 0.10 0.60 -0.10 1.25 -2.06 0.00 0.00 179.45 179.24 3kcv h LEU 69 N 0.00 0.68 -0.54 2.94 5.85 -0.62 0.42 115.31 124.04 3kcv h LEU 69 Ca -0.01 -0.37 -0.11 0.00 0.84 0.00 0.00 57.88 58.24 3kcv h LEU 69 Cb 1.07 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 3kcv h LEU 69 CO 0.08 0.90 -0.07 0.58 -0.34 0.00 0.00 178.44 179.59 3kcv h VAL 70 N 0.46 1.27 -0.54 1.05 2.07 -1.22 -0.63 116.25 118.70 3kcv h VAL 70 Ca 0.08 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.42 3kcv h VAL 70 Cb 0.61 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3kcv h VAL 70 CO 0.04 0.43 0.36 1.23 0.02 0.00 0.00 177.57 179.65 3kcv h GLY 71 N 0.88 0.72 0.91 2.17 0.00 -1.14 -1.97 103.07 104.65 3kcv h GLY 71 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3kcv h GLY 71 CO 0.04 0.22 -0.30 -1.33 0.00 0.00 0.00 176.54 175.18 3kcv h GLY 72 N 0.64 -0.87 2.00 4.60 0.00 -0.11 0.14 103.07 109.47 3kcv h GLY 72 Ca 0.22 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3kcv h GLY 72 CO -0.06 -0.32 0.00 -2.22 0.00 0.00 0.00 176.54 173.95 3kcv h ILE 73 N -0.93 0.00 0.08 2.60 2.04 -0.96 -0.69 117.51 119.65 3kcv h ILE 73 Ca -0.08 -0.01 -0.33 0.00 1.00 0.00 0.00 64.86 65.44 3kcv h ILE 73 Cb 0.67 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3kcv h ILE 73 CO 0.14 0.00 -1.83 0.00 0.00 0.00 0.00 178.15 176.46 3kcv h PHE 75 N 0.04 0.55 0.00 0.00 3.57 0.63 -3.08 116.94 118.66 3kcv h PHE 75 Ca -0.35 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 3kcv h PHE 75 Cb 2.03 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 40.59 3kcv h PHE 75 CO 0.05 0.21 -0.02 0.66 -2.23 0.00 0.00 178.31 176.98 3kcv h SER 76 N 0.47 0.00 -1.05 0.41 4.64 -1.69 -1.60 113.55 114.73 3kcv h SER 76 Ca 0.39 0.00 0.31 0.00 -0.47 0.00 0.00 61.79 62.02 3kcv h SER 76 Cb 0.83 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.79 3kcv h SER 76 CO -0.14 0.02 0.63 0.25 -0.87 0.00 0.00 176.83 176.72 3kcv h LEU 77 N 0.00 0.50 -0.55 5.97 7.12 -1.80 -0.31 115.31 126.24 3kcv h LEU 77 Ca -0.00 0.15 -0.03 0.00 0.13 0.00 0.00 57.88 58.13 3kcv h LEU 77 Cb 0.25 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.45 3kcv h LEU 77 CO 0.00 -0.05 0.22 1.23 -0.13 0.00 0.00 178.44 179.71 3kcv h GLY 78 N 0.36 0.87 1.61 3.75 0.00 -1.50 0.15 103.07 108.31 3kcv h GLY 78 Ca 0.70 -0.47 -0.27 0.00 0.00 0.00 0.00 47.33 47.29 3kcv h GLY 78 CO -0.49 0.44 -1.26 -2.00 0.00 0.00 0.00 176.54 173.23 3kcv h LEU 79 N 0.74 0.40 -0.25 3.11 5.85 -1.54 -1.74 115.31 121.89 3kcv h LEU 79 Ca 0.18 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.50 3kcv h LEU 79 Cb 0.19 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3kcv h LEU 79 CO -0.02 1.35 0.01 0.40 -0.34 0.00 0.00 178.44 179.84 3kcv h ILE 80 N 0.07 0.84 -0.12 4.05 2.04 -1.00 -1.43 117.51 121.96 3kcv h ILE 80 Ca -0.14 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.71 3kcv h ILE 80 Cb 1.97 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.73 3kcv h ILE 80 CO 0.20 0.02 -0.46 0.25 0.00 0.00 0.00 178.15 178.16 3kcv h LEU 81 N 0.09 -1.45 -0.82 1.44 5.85 -0.68 -1.00 115.31 118.74 3kcv h LEU 81 Ca 0.12 0.17 0.19 0.00 0.84 0.00 0.00 57.88 59.20 3kcv h LEU 81 Cb 0.14 0.57 -0.15 0.00 0.37 0.00 0.00 40.66 41.59 3kcv h LEU 81 CO -0.19 -0.40 -0.03 0.00 -0.34 0.00 0.00 178.44 177.48 3kcv h VAL 83 N 0.07 1.30 -0.04 0.00 2.07 -1.08 0.22 116.25 118.79 3kcv h VAL 83 Ca 0.45 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.58 3kcv h VAL 83 Cb 0.80 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 3kcv h VAL 83 CO -0.75 0.63 0.00 0.52 0.02 0.00 0.00 177.57 177.99 3kcv n VAL 84 N -4.20 0.08 0.00 2.57 0.31 -0.40 -2.92 118.33 113.77 3kcv n VAL 84 Ca -0.20 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3kcv n VAL 84 Cb 0.76 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 3kcv n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kcv n GLY 86 N 1.23 0.55 3.84 0.00 0.00 -0.52 -5.06 105.19 105.22 3kcv n GLY 86 Ca 0.00 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 3kcv n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcv s ALA 87 N -2.00 3.05 -0.11 4.61 0.00 -0.05 -5.01 121.76 122.25 3kcv s ALA 87 Ca 0.00 0.24 -0.19 0.00 0.00 0.00 0.00 51.96 52.01 3kcv s ALA 87 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 3kcv s ALA 87 CO 0.00 -0.17 0.52 0.34 0.00 0.00 0.00 175.76 176.44 3kcv s ASP 88 N -2.84 6.73 -0.15 0.00 -1.08 -1.10 -4.71 116.67 113.51 3kcv s ASP 88 Ca 0.60 0.87 -0.01 0.00 -0.52 0.00 0.00 52.55 53.49 3kcv s ASP 88 Cb -0.10 -2.31 0.04 0.00 -1.46 0.00 0.00 42.92 39.10 3kcv s ASP 88 CO 0.27 -0.03 -0.02 -0.22 0.52 0.00 0.00 175.17 175.70 3kcv s LEU 89 N 0.70 1.29 -0.23 -1.34 2.96 -1.26 -4.19 118.68 116.61 3kcv s LEU 89 Ca 0.28 -0.59 -0.21 0.00 -0.22 0.00 0.00 54.13 53.39 3kcv s LEU 89 Cb -0.16 -0.73 -0.09 0.00 0.50 0.00 0.00 46.19 45.71 3kcv s LEU 89 CO 0.11 -0.22 0.88 0.33 -1.32 0.00 0.00 176.35 176.14 3kcv n PHE 90 N 4.98 0.65 0.00 5.38 7.35 -1.26 -0.51 117.46 134.05 3kcv n PHE 90 Ca -0.10 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.02 3kcv n PHE 90 Cb 0.48 -1.05 0.00 0.00 0.35 0.00 0.00 39.48 39.26 3kcv n PHE 90 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3kcv n THR 91 N 2.52 0.00 0.26 -2.13 -2.24 -1.26 -4.78 114.28 106.65 3kcv n THR 91 Ca 0.21 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.17 3kcv n THR 91 Cb -0.02 0.00 0.90 0.00 -2.10 0.00 0.00 70.33 69.11 3kcv n THR 91 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kcv h SER 92 N 0.00 0.00 0.00 3.42 4.64 -1.19 -1.82 113.55 118.60 3kcv h SER 92 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3kcv h SER 92 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3kcv h SER 92 CO 0.00 0.00 0.06 0.35 -0.87 0.00 0.00 176.83 176.37 3kcv n THR 93 N -3.42 1.21 -0.08 2.95 -2.24 -1.24 -4.59 114.28 106.87 3kcv n THR 93 Ca 0.00 -0.52 0.07 0.00 -2.27 0.00 0.00 64.05 61.33 3kcv n THR 93 Cb 0.30 -1.55 0.12 0.00 -2.10 0.00 0.00 70.33 67.11 3kcv n THR 93 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3kcv n VAL 94 N 2.40 -0.07 -0.04 2.28 0.31 -0.69 -1.22 118.33 121.31 3kcv n VAL 94 Ca 0.12 0.38 -0.15 0.00 -0.01 0.00 0.00 64.34 64.69 3kcv n VAL 94 Cb 0.35 -0.62 -0.08 0.00 -0.91 0.00 0.00 33.84 32.57 3kcv n VAL 94 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3kcv h LEU 95 N 0.00 0.52 -0.58 7.52 6.46 -1.90 -2.16 115.31 125.17 3kcv h LEU 95 Ca 0.17 -0.62 0.07 0.00 -0.12 0.00 0.00 57.88 57.38 3kcv h LEU 95 Cb 0.50 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.22 3kcv h LEU 95 CO -0.13 1.06 0.26 0.40 -0.62 0.00 0.00 178.44 179.41 3kcv h ILE 96 N 0.02 0.87 0.00 4.05 2.04 -1.56 -0.61 117.51 122.32 3kcv h ILE 96 Ca -0.02 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3kcv h ILE 96 Cb 1.02 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3kcv h ILE 96 CO 0.08 0.09 0.00 0.58 0.00 0.00 0.00 178.15 178.90 3kcv h VAL 97 N 0.49 0.00 0.16 1.67 2.07 -1.26 0.96 116.25 120.34 3kcv h VAL 97 Ca 0.27 -0.37 -0.33 0.00 0.82 0.00 0.00 66.70 67.10 3kcv h VAL 97 Cb 0.25 1.35 0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3kcv h VAL 97 CO -0.23 0.00 -1.59 -0.37 0.02 0.00 0.00 177.57 175.40 3kcv h VAL 98 N 0.00 1.11 -0.85 2.57 -1.51 -1.13 -3.33 116.25 113.11 3kcv h VAL 98 Ca 0.00 -2.69 0.17 0.00 -1.23 0.00 0.00 66.70 62.94 3kcv h VAL 98 Cb 0.38 2.81 -0.10 0.00 -2.13 0.00 0.00 31.29 32.25 3kcv h VAL 98 CO 0.00 0.83 0.40 0.00 -1.23 0.00 0.00 177.57 177.57 3kcv h ALA 99 N 0.31 1.29 -0.43 5.19 0.00 0.59 -3.47 119.26 122.74 3kcv h ALA 99 Ca -0.28 0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 3kcv h ALA 99 Cb 2.07 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.89 3kcv h ALA 99 CO 0.19 -0.19 0.72 0.21 0.00 0.00 0.00 179.25 180.18 3kcv s LYS 100 N -5.95 2.15 5.77 0.00 2.47 0.14 -3.43 119.74 120.90 3kcv s LYS 100 Ca -0.12 -0.75 0.00 0.00 -1.56 0.00 0.00 55.97 53.54 3kcv s LYS 100 Cb 0.23 -5.12 0.00 0.00 -1.46 0.00 0.00 37.83 31.47 3kcv s LYS 100 CO 0.78 -4.25 0.00 0.54 0.16 0.00 0.00 175.35 172.58 3kcv n ARG 104 N 8.39 0.00 -0.77 4.03 1.74 -1.26 -4.96 116.66 123.83 3kcv n ARG 104 Ca 0.43 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 57.19 3kcv n ARG 104 Cb 0.46 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 32.03 3kcv n ARG 104 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3kcv n ILE 105 N 0.00 0.00 -2.40 0.55 -0.00 -1.22 -5.00 119.36 111.29 3kcv n ILE 105 Ca 0.00 -0.22 -0.24 0.00 -0.00 0.00 0.00 62.75 62.29 3kcv n ILE 105 Cb 0.00 -0.61 0.08 0.00 -0.00 0.00 0.00 39.64 39.12 3kcv n ILE 105 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 3kcv s THR 106 N -2.35 2.32 0.03 7.28 -4.23 -1.26 -4.91 115.64 112.51 3kcv s THR 106 Ca 0.56 -0.44 -0.16 0.00 -1.18 0.00 0.00 61.69 60.47 3kcv s THR 106 Cb -0.19 -2.87 -0.09 0.00 1.34 0.00 0.00 72.50 70.69 3kcv s THR 106 CO 0.67 0.00 1.23 -0.50 -0.54 0.00 0.00 174.62 175.49 3kcv h TRP 107 N -0.49 -0.55 -0.98 3.99 4.06 -1.99 -0.56 115.95 119.43 3kcv h TRP 107 Ca -0.42 -0.01 0.33 0.00 2.06 0.00 0.00 58.89 60.85 3kcv h TRP 107 Cb 1.29 0.18 -0.16 0.00 -1.00 0.00 0.00 29.16 29.47 3kcv h TRP 107 CO 0.06 -0.34 0.46 0.78 -3.56 0.00 0.00 178.44 175.84 3kcv h GLY 108 N -0.60 1.95 0.91 1.49 0.00 -1.99 0.36 103.07 105.19 3kcv h GLY 108 Ca -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3kcv h GLY 108 CO 0.10 -0.57 -0.15 1.46 0.00 0.00 0.00 176.54 177.37 3kcv h GLN 109 N 0.18 -0.42 -1.00 4.80 4.20 -1.91 -2.14 115.11 118.83 3kcv h GLN 109 Ca 0.73 0.03 0.04 0.00 0.06 0.00 0.00 58.65 59.51 3kcv h GLN 109 Cb 1.72 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 29.53 3kcv h GLN 109 CO -0.69 -0.21 0.65 1.25 -0.67 0.00 0.00 178.83 179.16 3kcv h LEU 110 N -0.53 1.08 -0.76 1.46 6.46 0.12 -2.76 115.31 120.38 3kcv h LEU 110 Ca -0.04 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.64 3kcv h LEU 110 Cb 0.40 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 3kcv h LEU 110 CO 0.07 0.73 0.19 0.00 -0.62 0.00 0.00 178.44 178.81 3kcv h ALA 111 N 1.41 0.98 0.00 1.25 0.00 -0.75 -1.84 119.26 120.31 3kcv h ALA 111 Ca 0.40 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3kcv h ALA 111 Cb 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kcv h ALA 111 CO -0.13 0.66 -0.14 0.87 0.00 0.00 0.00 179.25 180.52 3kcv h LYS 112 N 1.07 0.00 0.16 0.00 1.57 -1.11 0.34 116.57 118.61 3kcv h LYS 112 Ca 0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3kcv h LYS 112 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3kcv h LYS 112 CO -0.00 0.14 -0.08 -0.97 -0.57 0.00 0.00 179.45 177.97 3kcv h ASN 113 N 0.00 -0.19 0.20 0.86 -1.24 -1.26 -2.66 115.58 111.28 3kcv h ASN 113 Ca -0.00 -0.28 0.01 0.00 0.71 0.00 0.00 56.30 56.74 3kcv h ASN 113 Cb 0.53 0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.60 3kcv h ASN 113 CO 0.02 0.38 -0.31 -0.50 -1.29 0.00 0.00 177.43 175.72 3kcv h TRP 114 N -0.96 -0.85 -0.37 0.67 4.06 -1.18 0.79 115.95 118.12 3kcv h TRP 114 Ca -0.02 0.01 0.06 0.00 2.06 0.00 0.00 58.89 61.00 3kcv h TRP 114 Cb 0.46 0.35 -0.08 0.00 -1.00 0.00 0.00 29.16 28.88 3kcv h TRP 114 CO 0.07 -0.43 -0.50 1.25 -3.56 0.00 0.00 178.44 175.27 3kcv h LEU 115 N -0.58 -1.67 -1.00 -4.49 5.85 -0.48 0.13 115.31 113.07 3kcv h LEU 115 Ca 0.01 0.23 0.04 0.00 0.84 0.00 0.00 57.88 59.00 3kcv h LEU 115 Cb 0.58 0.70 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 3kcv h LEU 115 CO -0.14 -0.40 0.65 -1.13 -0.34 0.00 0.00 178.44 177.08 3kcv h ASN 116 N -0.40 1.08 -0.13 1.25 -1.24 -1.26 -1.91 115.58 112.98 3kcv h ASN 116 Ca 0.09 -0.01 -0.10 0.00 0.71 0.00 0.00 56.30 57.00 3kcv h ASN 116 Cb 0.61 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.41 3kcv h ASN 116 CO -0.57 0.73 -0.30 0.58 -1.29 0.00 0.00 177.43 176.59 3kcv h VAL 117 N 1.25 1.38 -0.34 2.57 2.07 -0.45 -1.41 116.25 121.32 3kcv h VAL 117 Ca 0.40 -1.59 0.07 0.00 0.82 0.00 0.00 66.70 66.41 3kcv h VAL 117 Cb 0.02 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 3kcv h VAL 117 CO -0.13 0.47 -0.14 0.22 0.02 0.00 0.00 177.57 178.01 3kcv h TYR 118 N 0.01 -0.32 -0.20 1.57 3.20 -0.61 0.33 116.97 120.94 3kcv h TYR 118 Ca -0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3kcv h TYR 118 Cb 0.90 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 3kcv h TYR 118 CO 0.11 -0.21 0.09 0.35 -1.64 0.00 0.00 178.16 176.86 3kcv h PHE 119 N -0.07 0.29 -0.46 -3.82 3.57 -1.29 -1.65 116.94 113.51 3kcv h PHE 119 Ca 0.17 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.69 3kcv h PHE 119 Cb 0.33 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 3kcv h PHE 119 CO -0.36 0.31 0.24 0.78 -2.23 0.00 0.00 178.31 177.05 3kcv h GLY 120 N 0.19 0.64 0.13 2.40 0.00 -1.00 -0.92 103.07 104.51 3kcv h GLY 120 Ca 0.07 -0.17 0.12 0.00 0.00 0.00 0.00 47.33 47.35 3kcv h GLY 120 CO -0.01 0.12 0.16 3.43 0.00 0.00 0.00 176.54 180.24 3kcv h ASN 121 N 0.48 0.04 0.35 0.19 -0.26 -0.12 -1.28 115.58 114.97 3kcv h ASN 121 Ca 0.20 0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 56.05 3kcv h ASN 121 Cb 0.09 0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 3kcv h ASN 121 CO -0.13 0.01 -0.25 0.25 -1.06 0.00 0.00 177.43 176.25 3kcv h LEU 122 N 0.29 -0.65 -0.58 1.61 5.85 -0.62 -0.15 115.31 121.05 3kcv h LEU 122 Ca 0.35 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.21 3kcv h LEU 122 Cb 0.53 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 3kcv h LEU 122 CO -0.42 -0.39 0.18 0.58 -0.34 0.00 0.00 178.44 178.04 3kcv h VAL 123 N -0.60 0.72 -0.31 1.05 2.07 -0.66 0.58 116.25 119.11 3kcv h VAL 123 Ca -0.03 -0.11 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 3kcv h VAL 123 Cb 0.51 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3kcv h VAL 123 CO 0.01 0.06 -0.32 1.23 0.02 0.00 0.00 177.57 178.57 3kcv h GLY 124 N 0.33 0.71 1.00 2.17 0.00 -1.02 -0.49 103.07 105.78 3kcv h GLY 124 Ca 0.30 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 3kcv h GLY 124 CO -0.34 0.60 -0.41 0.00 0.00 0.00 0.00 176.54 176.39 3kcv h ALA 125 N 1.09 -1.15 -0.67 3.60 0.00 -0.25 -1.80 119.26 120.09 3kcv h ALA 125 Ca 0.06 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.85 3kcv h ALA 125 Cb 0.82 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 3kcv h ALA 125 CO 0.07 -1.15 0.21 -0.07 0.00 0.00 0.00 179.25 178.31 3kcv h LEU 126 N -1.14 0.14 -0.69 0.00 3.38 -0.80 0.28 115.31 116.48 3kcv h LEU 126 Ca -0.12 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.07 3kcv h LEU 126 Cb 0.88 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 3kcv h LEU 126 CO 0.18 0.06 0.29 -0.07 0.09 0.00 0.00 178.44 178.99 3kcv h LEU 127 N 0.35 0.31 -0.91 1.67 3.38 -1.04 -1.75 115.31 117.32 3kcv h LEU 127 Ca 0.36 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.32 3kcv h LEU 127 Cb 0.52 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3kcv h LEU 127 CO -0.39 0.16 -0.12 0.15 0.09 0.00 0.00 178.44 178.33 3kcv h PHE 128 N 0.47 0.73 -0.50 1.13 3.57 0.37 -1.84 116.94 120.88 3kcv h PHE 128 Ca 0.36 -0.13 0.10 0.00 3.53 0.00 0.00 57.97 61.83 3kcv h PHE 128 Cb 0.46 -0.19 -0.10 0.00 2.79 0.00 0.00 35.95 38.91 3kcv h PHE 128 CO -0.15 0.76 -0.13 0.28 -2.23 0.00 0.00 178.31 176.84 3kcv h VAL 129 N 0.61 0.49 0.22 1.41 2.07 -0.26 -0.12 116.25 120.67 3kcv h VAL 129 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 3kcv h VAL 129 Cb 0.56 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3kcv h VAL 129 CO 0.03 0.00 -0.17 0.25 0.02 0.00 0.00 177.57 177.71 3kcv h LEU 130 N -0.01 -0.43 -0.47 2.57 5.85 -0.62 0.50 115.31 122.70 3kcv h LEU 130 Ca 0.24 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3kcv h LEU 130 Cb 0.37 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3kcv h LEU 130 CO -0.52 -0.26 0.26 0.25 -0.34 0.00 0.00 178.44 177.84 3kcv h LEU 131 N -0.39 0.41 -0.59 2.25 5.85 -1.15 0.34 115.31 122.03 3kcv h LEU 131 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kcv h LEU 131 Cb 0.35 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3kcv h LEU 131 CO -0.01 0.29 0.37 0.24 -0.34 0.00 0.00 178.44 179.00 3kcv h MET 132 N 0.53 0.79 0.04 1.25 2.86 -0.91 -0.28 114.93 119.21 3kcv h MET 132 Ca 0.19 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3kcv h MET 132 Cb 0.05 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.54 3kcv h MET 132 CO -0.11 0.55 -0.02 2.35 1.06 0.00 0.00 176.91 180.74 3kcv h TRP 133 N 0.80 -0.05 -0.70 -0.22 2.91 -0.39 -2.75 115.95 115.56 3kcv h TRP 133 Ca 0.21 -0.00 0.14 0.00 1.13 0.00 0.00 58.89 60.37 3kcv h TRP 133 Cb -0.05 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.57 3kcv h TRP 133 CO -0.03 0.22 0.47 -0.07 -1.03 0.00 0.00 178.44 178.00 3kcv h LEU 134 N -0.31 0.35 0.00 0.65 3.38 -0.84 0.91 115.31 119.45 3kcv h LEU 134 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kcv h LEU 134 Cb 0.28 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kcv h LEU 134 CO 0.01 0.19 0.00 -1.54 0.09 0.00 0.00 178.44 177.19 3kcv n SER 135 N -4.47 0.00 -3.58 -0.43 3.41 -0.12 -4.83 113.62 103.60 3kcv n SER 135 Ca 0.13 0.29 -0.21 0.00 -0.26 0.00 0.00 58.87 58.82 3kcv n SER 135 Cb 0.50 -0.33 0.07 0.00 -0.26 0.00 0.00 64.21 64.19 3kcv n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kcv n GLY 136 N -1.07 -0.39 0.09 5.00 0.00 0.31 -4.90 105.19 104.22 3kcv n GLY 136 Ca 0.01 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.20 3kcv n GLY 136 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kcv n GLU 137 N -4.40 0.63 0.17 1.61 4.07 -1.25 -4.04 120.64 117.44 3kcv n GLU 137 Ca -0.20 0.12 0.16 0.00 -0.06 0.00 0.00 57.16 57.18 3kcv n GLU 137 Cb 0.64 -1.74 0.76 0.00 -0.06 0.00 0.00 31.44 31.03 3kcv n GLU 137 CO 0.00 0.00 0.00 0.10 -0.06 0.00 0.00 177.13 177.17 3kcv h TYR 138 N 0.00 0.00 0.00 4.31 -0.00 -1.89 0.19 116.97 119.58 3kcv h TYR 138 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.57 3kcv h TYR 138 Cb 1.48 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.21 3kcv h TYR 138 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 178.16 176.83 3kcv n MET 139 N -4.11 0.02 -1.64 0.10 2.81 -1.26 -1.14 117.12 111.90 3kcv n MET 139 Ca 0.02 0.02 -0.44 0.00 -1.81 0.00 0.00 57.70 55.49 3kcv n MET 139 Cb 0.32 -1.52 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 3kcv n MET 139 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3kcv n THR 140 N -1.55 1.67 -3.65 2.03 -1.04 0.67 -1.61 114.28 110.80 3kcv n THR 140 Ca 0.07 -0.42 -0.23 0.00 -2.04 0.00 0.00 64.05 61.43 3kcv n THR 140 Cb 0.34 -1.26 0.06 0.00 -1.82 0.00 0.00 70.33 67.65 3kcv n THR 140 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kcv n ALA 141 N 0.73 -1.68 -3.66 2.41 0.00 -1.26 -1.86 120.51 115.20 3kcv n ALA 141 Ca 0.09 0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.38 3kcv n ALA 141 Cb 0.32 -3.55 0.04 0.00 0.00 0.00 0.00 19.45 16.26 3kcv n ALA 141 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kcv n ASN 142 N -3.02 -2.86 0.00 0.00 4.05 -0.89 -1.13 115.26 111.41 3kcv n ASN 142 Ca -0.14 -0.87 0.00 0.00 0.45 0.00 0.00 54.58 54.01 3kcv n ASN 142 Cb 0.61 -3.95 0.00 0.00 1.23 0.00 0.00 39.78 37.67 3kcv n ASN 142 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kcv n GLY 143 N -1.59 2.13 0.33 8.20 0.00 -0.63 -4.20 105.19 109.43 3kcv n GLY 143 Ca -0.22 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.94 3kcv n GLY 143 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kcv h GLN 144 N 0.40 0.51 0.20 1.61 1.08 -1.13 0.74 115.11 118.52 3kcv h GLN 144 Ca 0.00 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3kcv h GLN 144 Cb 0.00 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.31 3kcv h GLN 144 CO 0.00 0.34 -0.16 2.35 -0.95 0.00 0.00 178.83 180.40 3kcv h TRP 145 N 0.52 -0.44 -1.04 2.96 7.01 -1.53 0.92 115.95 124.35 3kcv h TRP 145 Ca 0.58 0.00 0.27 0.00 2.11 0.00 0.00 58.89 61.85 3kcv h TRP 145 Cb 1.06 0.17 -0.08 0.00 -2.10 0.00 0.00 29.16 28.21 3kcv h TRP 145 CO -0.07 -0.22 0.69 0.78 -2.79 0.00 0.00 178.44 176.82 3kcv h GLY 146 N -0.35 0.87 1.00 2.65 0.00 0.41 0.31 103.07 107.96 3kcv h GLY 146 Ca -0.03 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 3kcv h GLY 146 CO 0.00 -0.09 -0.15 -2.00 0.00 0.00 0.00 176.54 174.31 3kcv h LEU 147 N 0.30 0.81 -1.02 3.11 5.85 -0.65 -1.22 115.31 122.48 3kcv h LEU 147 Ca 0.56 -0.39 0.20 0.00 0.84 0.00 0.00 57.88 59.09 3kcv h LEU 147 Cb 1.62 -0.22 -0.11 0.00 0.37 0.00 0.00 40.66 42.32 3kcv h LEU 147 CO -0.21 1.02 0.61 -1.13 -0.34 0.00 0.00 178.44 178.39 3kcv h ASN 148 N 0.60 0.77 -0.18 1.25 -0.73 0.22 -0.26 115.58 117.25 3kcv h ASN 148 Ca 0.09 0.10 -0.04 0.00 1.87 0.00 0.00 56.30 58.33 3kcv h ASN 148 Cb 0.69 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.24 3kcv h ASN 148 CO 0.05 0.26 -0.03 0.58 -0.37 0.00 0.00 177.43 177.92 3kcv h VAL 149 N 0.74 1.28 0.45 2.57 2.07 -0.64 -1.12 116.25 121.59 3kcv h VAL 149 Ca 0.58 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3kcv h VAL 149 Cb 0.94 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 3kcv h VAL 149 CO -0.38 0.29 -0.33 -0.07 0.02 0.00 0.00 177.57 177.09 3kcv h LEU 150 N 0.06 -0.85 -0.27 2.57 3.38 -0.39 0.58 115.31 120.38 3kcv h LEU 150 Ca 0.05 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3kcv h LEU 150 Cb 0.45 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3kcv h LEU 150 CO 0.01 -0.49 0.02 1.56 0.09 0.00 0.00 178.44 179.63 3kcv h GLN 151 N -0.76 0.10 -0.80 1.13 4.20 -1.18 -0.44 115.11 117.36 3kcv h GLN 151 Ca -0.04 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.74 3kcv h GLN 151 Cb 0.65 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 3kcv h GLN 151 CO 0.01 0.07 0.46 1.15 -0.67 0.00 0.00 178.83 179.85 3kcv h THR 152 N 0.10 0.95 -0.11 -0.54 2.02 -0.90 -1.76 112.91 112.67 3kcv h THR 152 Ca 0.13 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 3kcv h THR 152 Cb 0.16 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 3kcv h THR 152 CO -0.20 0.15 -0.11 0.00 0.37 0.00 0.00 175.52 175.72 3kcv h ALA 153 N 1.42 0.16 -0.98 6.16 0.00 -0.66 -3.22 119.26 122.15 3kcv h ALA 153 Ca 0.37 -0.31 0.15 0.00 0.00 0.00 0.00 54.91 55.12 3kcv h ALA 153 Cb 0.29 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 3kcv h ALA 153 CO -0.22 0.01 0.61 0.22 0.00 0.00 0.00 179.25 179.88 3kcv h ASP 154 N -0.13 0.81 -0.20 0.00 3.58 -0.73 0.78 116.42 120.54 3kcv h ASP 154 Ca 0.02 0.06 0.06 0.00 0.42 0.00 0.00 57.03 57.58 3kcv h ASP 154 Cb 0.63 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 3kcv h ASP 154 CO 0.03 0.39 0.19 -0.74 -2.88 0.00 0.00 179.24 176.22 3kcv h HIS 155 N 0.85 0.00 0.00 0.28 2.76 -1.33 -2.79 115.15 114.91 3kcv h HIS 155 Ca 0.51 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.55 3kcv h HIS 155 Cb 0.68 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 3kcv h HIS 155 CO -0.00 0.00 -0.71 0.87 -1.30 0.00 0.00 177.93 176.79 3kcv h LYS 156 N 0.00 0.00 0.00 5.26 1.57 -0.93 -3.30 116.57 119.17 3kcv h LYS 156 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3kcv h LYS 156 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3kcv h LYS 156 CO -0.00 0.56 -0.67 1.33 -0.57 0.00 0.00 179.45 180.09 3kcv n VAL 157 N -3.20 0.04 -0.24 0.50 0.24 -1.05 -3.87 118.33 110.75 3kcv n VAL 157 Ca 0.00 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.34 62.13 3kcv n VAL 157 Cb 0.79 0.36 0.07 0.00 -1.47 0.00 0.00 33.84 33.58 3kcv n VAL 157 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3kcv n HIS 158 N -1.60 1.38 -3.90 6.34 8.25 -1.22 -4.85 115.22 119.61 3kcv n HIS 158 Ca 0.05 -1.33 -0.28 0.00 -0.26 0.00 0.00 57.72 55.90 3kcv n HIS 158 Cb 0.35 -0.66 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 3kcv n HIS 158 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3kcv s HIS 159 N -1.52 3.50 0.59 4.41 4.02 -1.25 -5.10 115.29 119.94 3kcv s HIS 159 Ca 0.26 0.20 -0.02 0.00 1.02 0.00 0.00 55.06 56.52 3kcv s HIS 159 Cb 0.22 -1.73 0.03 0.00 -1.02 0.00 0.00 32.58 30.08 3kcv s HIS 159 CO 0.03 0.52 0.86 0.95 1.02 0.00 0.00 174.74 178.13 3kcv s THR 160 N -1.67 2.84 0.23 1.30 -4.23 -1.26 -4.93 115.64 107.92 3kcv s THR 160 Ca 0.35 -0.42 -0.07 0.00 -1.18 0.00 0.00 61.69 60.37 3kcv s THR 160 Cb -0.12 -3.12 0.20 0.00 1.34 0.00 0.00 72.50 70.80 3kcv s THR 160 CO 0.28 -0.11 1.87 0.15 -0.54 0.00 0.00 174.62 176.27 3kcv h PHE 161 N -0.15 0.99 -0.08 3.99 3.57 -1.96 -0.69 116.94 122.62 3kcv h PHE 161 Ca -0.44 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 60.92 3kcv h PHE 161 Cb 1.29 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 39.72 3kcv h PHE 161 CO 0.38 0.55 -0.60 0.82 -2.23 0.00 0.00 178.31 177.23 3kcv h ILE 162 N 1.01 1.36 -0.77 1.41 2.04 -1.98 -1.34 117.51 119.25 3kcv h ILE 162 Ca 0.34 -1.93 0.09 0.00 1.00 0.00 0.00 64.86 64.36 3kcv h ILE 162 Cb 0.05 2.28 -0.07 0.00 -0.74 0.00 0.00 36.82 38.34 3kcv h ILE 162 CO -0.13 0.58 0.42 -0.33 0.00 0.00 0.00 178.15 178.69 3kcv h GLU 163 N 0.14 0.69 -0.26 2.37 5.08 -1.91 -0.42 114.58 120.27 3kcv h GLU 163 Ca -0.05 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 3kcv h GLU 163 Cb 1.26 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3kcv h GLU 163 CO 0.12 0.46 -0.39 0.00 -1.00 0.00 0.00 179.01 178.20 3kcv h ALA 164 N 1.43 0.83 -0.09 3.43 0.00 -1.04 0.36 119.26 124.18 3kcv h ALA 164 Ca 0.37 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3kcv h ALA 164 Cb 0.34 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kcv h ALA 164 CO -0.25 0.65 0.01 0.28 0.00 0.00 0.00 179.25 179.94 3kcv h VAL 165 N 0.50 1.23 -0.17 0.00 2.07 -0.68 -1.18 116.25 118.03 3kcv h VAL 165 Ca 0.04 -0.73 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 3kcv h VAL 165 Cb 0.90 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3kcv h VAL 165 CO 0.08 0.20 -0.31 0.00 0.02 0.00 0.00 177.57 177.56 3kcv h LEU 167 N 0.28 0.00 0.21 0.00 3.38 -0.89 -1.28 115.31 117.02 3kcv h LEU 167 Ca 0.04 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.69 3kcv h LEU 167 Cb 0.69 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.47 3kcv h LEU 167 CO 0.05 0.36 -1.47 1.23 0.09 0.00 0.00 178.44 178.70 3kcv h GLY 168 N 2.19 0.50 0.50 0.83 0.00 -0.45 0.15 103.07 106.79 3kcv h GLY 168 Ca -0.00 -1.28 0.06 0.00 0.00 0.00 0.00 47.33 46.10 3kcv h GLY 168 CO 0.05 1.12 0.07 -2.22 0.00 0.00 0.00 176.54 175.56 3kcv h ILE 169 N 0.12 0.79 -0.45 2.60 2.04 -0.50 -2.36 117.51 119.74 3kcv h ILE 169 Ca -0.24 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 3kcv h ILE 169 Cb 2.11 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 3kcv h ILE 169 CO 0.24 0.03 -0.10 -0.07 0.00 0.00 0.00 178.15 178.25 3kcv h LEU 170 N 0.19 0.80 0.75 1.44 3.38 -1.13 -1.30 115.31 119.44 3kcv h LEU 170 Ca 0.19 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3kcv h LEU 170 Cb 0.23 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.77 3kcv h LEU 170 CO -0.26 0.92 -0.36 0.00 0.09 0.00 0.00 178.44 178.84 3kcv h ALA 171 N 1.15 -1.01 0.00 1.53 0.00 -1.15 -3.13 119.26 116.65 3kcv h ALA 171 Ca 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3kcv h ALA 171 Cb 0.59 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3kcv h ALA 171 CO 0.04 -0.95 -0.12 -0.97 0.00 0.00 0.00 179.25 177.24 3kcv h ASN 172 N -1.24 0.00 -0.19 0.00 -1.24 -1.39 -0.66 115.58 110.86 3kcv h ASN 172 Ca -0.10 0.00 0.05 0.00 0.71 0.00 0.00 56.30 56.96 3kcv h ASN 172 Cb 0.78 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.76 3kcv h ASN 172 CO 0.17 0.12 -0.33 -0.07 -1.29 0.00 0.00 177.43 176.04 3kcv h LEU 173 N 0.00 -1.03 -0.37 0.34 3.38 -1.27 -1.48 115.31 114.89 3kcv h LEU 173 Ca -0.00 0.16 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 3kcv h LEU 173 Cb 0.25 0.45 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3kcv h LEU 173 CO 0.02 -0.35 -0.67 0.24 0.09 0.00 0.00 178.44 177.76 3kcv h MET 174 N -0.37 0.59 -0.80 1.13 2.86 -1.09 -1.49 114.93 115.76 3kcv h MET 174 Ca 0.11 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.29 3kcv h MET 174 Cb 0.55 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 3kcv h MET 174 CO -0.40 1.06 0.39 0.28 1.06 0.00 0.00 176.91 179.31 3kcv h VAL 175 N 0.42 1.25 -0.44 -2.22 2.07 -1.35 -0.04 116.25 115.94 3kcv h VAL 175 Ca -0.02 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 3kcv h VAL 175 Cb 1.26 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3kcv h VAL 175 CO 0.13 0.29 -0.11 0.00 0.02 0.00 0.00 177.57 177.90 3kcv h LEU 177 N 0.68 1.07 0.38 0.00 3.38 -1.17 0.16 115.31 119.81 3kcv h LEU 177 Ca 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3kcv h LEU 177 Cb 0.65 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kcv h LEU 177 CO 0.04 0.90 -0.23 0.00 0.09 0.00 0.00 178.44 179.25 3kcv h ALA 178 N 1.22 -0.57 -0.12 1.53 0.00 -0.81 -0.57 119.26 119.93 3kcv h ALA 178 Ca 0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kcv h ALA 178 Cb 0.10 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3kcv h ALA 178 CO -0.04 -0.83 0.08 0.28 0.00 0.00 0.00 179.25 178.74 3kcv h VAL 179 N -0.58 1.06 -0.04 0.00 2.07 -1.15 -1.06 116.25 116.54 3kcv h VAL 179 Ca -0.04 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3kcv h VAL 179 Cb 0.47 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3kcv h VAL 179 CO 0.05 0.05 -0.04 -0.25 0.02 0.00 0.00 177.57 177.40 3kcv h TRP 180 N 0.14 -0.13 -0.22 1.57 -0.00 -0.64 0.11 115.95 116.79 3kcv h TRP 180 Ca 0.04 0.01 0.06 0.00 -0.00 0.00 0.00 58.89 59.00 3kcv h TRP 180 Cb 0.02 0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 29.23 3kcv h TRP 180 CO -0.06 -0.03 0.42 0.52 -0.00 0.00 0.00 178.44 179.29 3kcv h MET 181 N -0.02 0.00 -0.41 2.65 2.86 -0.93 0.16 114.93 119.25 3kcv h MET 181 Ca 0.01 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3kcv h MET 181 Cb 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3kcv h MET 181 CO -0.05 0.00 -0.04 1.03 1.06 0.00 0.00 176.91 178.91 3kcv h SER 182 N 0.00 0.66 0.10 1.22 0.87 0.38 -2.82 113.55 113.95 3kcv h SER 182 Ca 0.10 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 3kcv h SER 182 Cb 0.95 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 3kcv h SER 182 CO -0.00 0.76 -0.03 1.88 -0.53 0.00 0.00 176.83 178.90 3kcv h TYR 183 N 0.64 0.00 -0.02 2.24 0.05 -0.39 -2.36 116.97 117.14 3kcv h TYR 183 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 3kcv h TYR 183 Cb 0.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.20 3kcv h TYR 183 CO 0.02 0.03 0.00 0.43 -1.05 0.00 0.00 178.16 177.59 3kcv n SER 184 N -3.77 0.37 -4.75 3.88 7.64 -1.07 -4.91 113.62 111.02 3kcv n SER 184 Ca -0.03 -1.30 -0.38 0.00 1.01 0.00 0.00 58.87 58.17 3kcv n SER 184 Cb 0.12 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.25 3kcv n SER 184 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3kcv s GLY 185 N -1.79 2.48 0.00 0.23 0.00 -0.89 -5.04 107.32 102.32 3kcv s GLY 185 Ca 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.99 3kcv s GLY 185 CO 0.29 0.72 0.11 0.54 0.00 0.00 0.00 173.10 174.76 3kcv n ARG 186 N 3.19 0.00 -0.82 2.90 5.12 -1.26 -4.71 116.66 121.08 3kcv n ARG 186 Ca -0.07 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.56 3kcv n ARG 186 Cb 0.51 -0.46 0.21 0.00 -1.16 0.00 0.00 32.46 31.56 3kcv n ARG 186 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kcv s SER 187 N -1.43 1.82 0.20 0.55 1.04 -1.26 -4.82 113.70 109.80 3kcv s SER 187 Ca 0.00 1.45 -0.07 0.00 0.48 0.00 0.00 55.95 57.80 3kcv s SER 187 Cb 0.00 -2.16 0.12 0.00 0.10 0.00 0.00 66.02 64.08 3kcv s SER 187 CO 0.00 -3.67 1.65 0.25 0.98 0.00 0.00 173.24 172.45 3kcv h LEU 188 N -2.26 0.96 -0.76 2.42 5.85 -1.99 -2.05 115.31 117.48 3kcv h LEU 188 Ca -0.57 -0.29 0.17 0.00 0.84 0.00 0.00 57.88 58.03 3kcv h LEU 188 Cb 1.32 -0.26 -0.13 0.00 0.37 0.00 0.00 40.66 41.97 3kcv h LEU 188 CO 0.53 1.06 0.05 -0.03 -0.34 0.00 0.00 178.44 179.70 3kcv h MET 189 N 0.88 0.13 0.46 1.25 4.05 -1.99 -1.22 114.93 118.49 3kcv h MET 189 Ca 0.15 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 3kcv h MET 189 Cb 0.61 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 3kcv h MET 189 CO 0.04 0.09 -0.22 -0.44 0.23 0.00 0.00 176.91 176.61 3kcv h ASP 190 N 0.13 -0.52 -0.35 1.39 5.19 -1.73 -1.66 116.42 118.87 3kcv h ASP 190 Ca 0.42 -0.08 0.10 0.00 -0.62 0.00 0.00 57.03 56.85 3kcv h ASP 190 Cb 0.75 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 3kcv h ASP 190 CO -0.64 -0.21 0.26 0.11 -3.12 0.00 0.00 179.24 175.64 3kcv h LYS 191 N -0.86 0.00 0.00 3.56 1.57 -1.20 -3.17 116.57 116.47 3kcv h LYS 191 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3kcv h LYS 191 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3kcv h LYS 191 CO 0.10 0.00 -0.16 0.00 -0.57 0.00 0.00 179.45 178.83 3kcv n ALA 192 N -2.59 0.14 0.13 3.86 0.00 -0.48 -4.49 120.51 117.07 3kcv n ALA 192 Ca 0.05 -0.24 0.06 0.00 0.00 0.00 0.00 53.44 53.32 3kcv n ALA 192 Cb 0.43 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.22 3kcv n ALA 192 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kcv n PHE 193 N -2.92 0.41 0.48 0.00 3.72 -0.63 -1.88 117.46 116.64 3kcv n PHE 193 Ca -0.02 0.21 0.12 0.00 -0.05 0.00 0.00 57.45 57.71 3kcv n PHE 193 Cb 0.08 -0.69 0.22 0.00 -0.94 0.00 0.00 39.48 38.15 3kcv n PHE 193 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3kcv h ILE 194 N 0.00 0.00 0.00 4.37 6.09 -1.75 -3.29 117.51 122.93 3kcv h ILE 194 Ca 0.00 -0.62 0.00 0.00 -1.37 0.00 0.00 64.86 62.87 3kcv h ILE 194 Cb 0.41 1.37 0.00 0.00 0.47 0.00 0.00 36.82 39.07 3kcv h ILE 194 CO 0.00 0.00 -1.04 0.23 -3.07 0.00 0.00 178.15 174.27 3kcv n MET 195 N -2.36 0.52 0.16 2.19 2.81 -0.79 -4.49 117.12 115.17 3kcv n MET 195 Ca 0.04 0.07 -0.14 0.00 -1.81 0.00 0.00 57.70 55.86 3kcv n MET 195 Cb 0.46 -1.75 -0.07 0.00 -0.71 0.00 0.00 33.22 31.15 3kcv n MET 195 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3kcv h VAL 196 N 0.00 0.29 0.17 2.03 2.07 -1.69 -1.80 116.25 117.32 3kcv h VAL 196 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3kcv h VAL 196 Cb 0.93 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3kcv h VAL 196 CO 0.00 0.00 -0.28 -0.07 0.02 0.00 0.00 177.57 177.24 3kcv h LEU 197 N -0.63 -0.78 -1.54 2.57 4.07 -1.81 0.92 115.31 118.11 3kcv h LEU 197 Ca 0.01 0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.14 3kcv h LEU 197 Cb 0.62 0.29 -0.04 0.00 1.08 0.00 0.00 40.66 42.60 3kcv h LEU 197 CO -0.14 -0.38 0.44 -0.65 -1.08 0.00 0.00 178.44 176.63 3kcv h PRO 198 N -0.52 0.51 0.01 1.13 0.11 -1.78 -0.96 132.00 130.50 3kcv h PRO 198 Ca 0.02 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3kcv h PRO 198 Cb 0.53 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3kcv h PRO 198 CO -0.13 0.34 -0.01 0.28 -0.21 0.00 0.00 178.00 178.27 3kcv h VAL 199 N 0.53 1.21 -0.92 3.15 2.07 -1.04 -3.08 116.25 118.18 3kcv h VAL 199 Ca 0.30 -1.85 0.18 0.00 0.82 0.00 0.00 66.70 66.15 3kcv h VAL 199 Cb 0.47 2.26 -0.07 0.00 -1.52 0.00 0.00 31.29 32.43 3kcv h VAL 199 CO -0.09 0.40 0.59 0.00 0.02 0.00 0.00 177.57 178.49 3kcv h ALA 200 N -0.30 2.02 -0.73 1.67 0.00 -0.69 0.32 119.26 121.54 3kcv h ALA 200 Ca -0.00 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kcv h ALA 200 Cb 0.67 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3kcv h ALA 200 CO 0.00 -0.31 0.47 1.98 0.00 0.00 0.00 179.25 181.40 3kcv h MET 201 N 0.54 0.91 0.00 0.00 -1.53 -1.24 0.20 114.93 113.80 3kcv h MET 201 Ca 0.48 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.69 3kcv h MET 201 Cb 1.00 -0.20 0.00 0.00 -0.55 0.00 0.00 31.60 31.85 3kcv h MET 201 CO -0.22 0.60 0.00 0.27 0.14 0.00 0.00 176.91 177.70 3kcv h PHE 202 N 0.93 0.00 0.06 1.39 -5.15 -0.32 -2.30 116.94 111.55 3kcv h PHE 202 Ca 0.28 0.00 -0.36 0.00 -0.20 0.00 0.00 57.97 57.70 3kcv h PHE 202 Cb -0.03 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.10 3kcv h PHE 202 CO -0.03 0.00 -2.02 0.28 -2.00 0.00 0.00 178.31 174.53 3kcv n VAL 203 N -2.73 1.65 0.20 0.88 0.31 -0.56 -1.07 118.33 117.01 3kcv n VAL 203 Ca 0.03 -0.49 0.04 0.00 -0.01 0.00 0.00 64.34 63.91 3kcv n VAL 203 Cb 0.41 -1.74 0.43 0.00 -0.91 0.00 0.00 33.84 32.04 3kcv n VAL 203 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kcv h ALA 204 N -0.16 1.55 0.00 3.52 0.00 -0.71 -1.49 119.26 121.97 3kcv h ALA 204 Ca -0.47 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.09 3kcv h ALA 204 Cb 1.82 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 3kcv h ALA 204 CO -0.06 0.34 -0.48 0.77 0.00 0.00 0.00 179.25 179.82 3kcv h SER 205 N 0.01 0.00 -3.38 0.00 0.02 -1.57 -3.46 113.55 105.17 3kcv h SER 205 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 3kcv h SER 205 Cb 0.47 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.08 3kcv h SER 205 CO 0.03 0.48 -0.32 0.61 -1.14 0.00 0.00 176.83 176.49 3kcv n GLY 206 N 0.85 0.19 3.80 -3.77 0.00 -0.56 -5.03 105.19 100.68 3kcv n GLY 206 Ca 0.01 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 3kcv n GLY 206 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kcv s PHE 207 N -3.15 2.93 -0.31 1.61 0.08 -0.24 -5.01 117.98 113.90 3kcv s PHE 207 Ca 0.13 1.49 -0.14 0.00 0.12 0.00 0.00 56.93 58.53 3kcv s PHE 207 Cb -0.06 -2.99 -0.03 0.00 -0.57 0.00 0.00 43.02 39.37 3kcv s PHE 207 CO 0.32 -1.31 0.34 -1.21 -0.10 0.00 0.00 175.22 173.26 3kcv s GLU 208 N -4.48 3.76 -0.26 0.44 0.41 0.40 -4.80 118.70 114.16 3kcv s GLU 208 Ca 0.62 -0.27 -0.06 0.00 -0.41 0.00 0.00 54.97 54.85 3kcv s GLU 208 Cb -0.16 -3.74 -0.00 0.00 -1.78 0.00 0.00 34.13 28.45 3kcv s GLU 208 CO 0.45 -0.39 0.04 -1.58 -0.49 0.00 0.00 175.26 173.29 3kcv s HIS 209 N 1.99 3.09 0.25 1.61 5.65 -1.26 -3.74 115.29 122.88 3kcv s HIS 209 Ca 0.12 -0.88 -0.03 0.00 0.25 0.00 0.00 55.06 54.52 3kcv s HIS 209 Cb -0.16 -2.20 0.46 0.00 -1.18 0.00 0.00 32.58 29.49 3kcv s HIS 209 CO 0.11 -0.53 1.79 0.66 -0.65 0.00 0.00 174.74 176.12 3kcv h SER 210 N 8.19 0.61 -0.11 9.88 4.64 -1.95 -1.03 113.55 133.79 3kcv h SER 210 Ca -0.35 0.07 -0.20 0.00 -0.47 0.00 0.00 61.79 60.83 3kcv h SER 210 Cb 1.14 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3kcv h SER 210 CO 0.60 0.31 -0.69 0.40 -0.87 0.00 0.00 176.83 176.58 3kcv h ILE 211 N 0.72 1.29 -0.34 0.95 1.08 -1.95 -2.01 117.51 117.25 3kcv h ILE 211 Ca 0.43 -1.92 -0.00 0.00 -0.39 0.00 0.00 64.86 62.98 3kcv h ILE 211 Cb 0.49 1.89 -0.02 0.00 -3.07 0.00 0.00 36.82 36.11 3kcv h ILE 211 CO -0.30 0.61 0.20 0.00 -0.69 0.00 0.00 178.15 177.97 3kcv h ALA 212 N 0.68 0.43 -0.09 1.87 0.00 -1.78 -2.18 119.26 118.20 3kcv h ALA 212 Ca -0.03 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kcv h ALA 212 Cb 1.30 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3kcv h ALA 212 CO 0.14 -0.07 0.08 -0.91 0.00 0.00 0.00 179.25 178.49 3kcv h ASN 213 N 0.44 0.00 0.20 0.00 2.35 -1.12 -0.30 115.58 117.15 3kcv h ASN 213 Ca 0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3kcv h ASN 213 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 3kcv h ASN 213 CO -0.02 0.00 -0.03 0.24 -1.65 0.00 0.00 177.43 175.97 3kcv h MET 214 N 0.00 0.00 0.00 0.81 2.86 -0.68 -1.88 114.93 116.04 3kcv h MET 214 Ca 0.04 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.32 3kcv h MET 214 Cb 0.21 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 3kcv h MET 214 CO -0.00 0.03 -2.04 0.34 1.06 0.00 0.00 176.91 176.30 3kcv n PHE 215 N -3.44 0.32 0.20 -0.22 7.35 -0.20 -4.46 117.46 117.01 3kcv n PHE 215 Ca -0.02 0.14 -0.15 0.00 -0.76 0.00 0.00 57.45 56.66 3kcv n PHE 215 Cb 0.14 -1.00 -0.07 0.00 0.35 0.00 0.00 39.48 38.90 3kcv n PHE 215 CO 0.00 0.00 0.00 1.98 -0.76 0.00 0.00 176.76 177.98 3kcv h MET 216 N -1.00 -0.60 0.04 -4.13 4.05 -1.26 -0.55 114.93 111.48 3kcv h MET 216 Ca -0.55 0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 58.91 3kcv h MET 216 Cb 1.47 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.40 3kcv h MET 216 CO -0.33 -0.40 -0.02 0.82 0.23 0.00 0.00 176.91 177.21 3kcv h ILE 217 N -0.62 1.20 -0.99 1.77 2.04 -1.61 -1.46 117.51 117.84 3kcv h ILE 217 Ca -0.02 -0.76 0.17 0.00 1.00 0.00 0.00 64.86 65.25 3kcv h ILE 217 Cb 0.56 1.71 -0.10 0.00 -0.74 0.00 0.00 36.82 38.24 3kcv h ILE 217 CO -0.04 0.19 0.60 -0.65 0.00 0.00 0.00 178.15 178.26 3kcv h PRO 218 N -0.38 0.77 -0.87 2.37 0.11 -1.72 -0.09 132.00 132.19 3kcv h PRO 218 Ca -0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3kcv h PRO 218 Cb 0.35 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.25 3kcv h PRO 218 CO 0.01 0.51 0.50 1.98 -0.21 0.00 0.00 178.00 180.79 3kcv h MET 219 N 0.80 1.20 -0.67 1.05 4.05 -0.87 -0.73 114.93 119.75 3kcv h MET 219 Ca 0.56 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.85 3kcv h MET 219 Cb 0.81 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 31.33 3kcv h MET 219 CO -0.36 0.86 0.43 0.78 0.23 0.00 0.00 176.91 178.85 3kcv h GLY 220 N 1.20 0.95 0.77 1.39 0.00 0.01 -2.01 103.07 105.39 3kcv h GLY 220 Ca 0.31 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.29 3kcv h GLY 220 CO -0.05 0.37 0.09 -2.22 0.00 0.00 0.00 176.54 174.72 3kcv h ILE 221 N 0.91 0.92 0.12 2.60 2.04 -0.77 0.03 117.51 123.36 3kcv h ILE 221 Ca 0.24 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 66.04 3kcv h ILE 221 Cb -0.07 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3kcv h ILE 221 CO -0.05 0.04 -0.14 0.58 0.00 0.00 0.00 178.15 178.58 3kcv h VAL 222 N 0.21 0.67 0.25 1.67 2.07 -0.73 0.12 116.25 120.51 3kcv h VAL 222 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3kcv h VAL 222 Cb 0.09 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3kcv h VAL 222 CO -0.13 0.00 -0.24 0.40 0.02 0.00 0.00 177.57 177.62 3kcv h ILE 223 N -0.30 0.48 -0.80 4.57 2.04 -1.37 0.06 117.51 122.19 3kcv h ILE 223 Ca 0.01 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.10 3kcv h ILE 223 Cb 0.30 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3kcv h ILE 223 CO -0.05 0.00 0.57 -0.09 0.00 0.00 0.00 178.15 178.58 3kcv h ARG 224 N -0.52 0.05 0.00 2.37 1.12 -0.65 0.58 114.38 117.32 3kcv h ARG 224 Ca -0.01 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 3kcv h ARG 224 Cb 0.48 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.43 3kcv h ARG 224 CO -0.05 0.03 -1.03 -0.25 -3.11 0.00 0.00 179.97 175.55 3kcv n ASP 225 N -4.32 0.87 0.00 -3.80 9.92 0.37 -4.70 116.55 114.89 3kcv n ASP 225 Ca 0.16 -0.84 0.00 0.00 -0.53 0.00 0.00 54.79 53.59 3kcv n ASP 225 Cb 0.84 1.01 0.00 0.00 -0.64 0.00 0.00 41.12 42.33 3kcv n ASP 225 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3kcv n PHE 226 N -1.57 0.00 -1.67 1.24 3.72 -0.06 -5.05 117.46 114.06 3kcv n PHE 226 Ca 0.03 0.00 -0.62 0.00 -0.05 0.00 0.00 57.45 56.82 3kcv n PHE 226 Cb 0.35 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.81 3kcv n PHE 226 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kcv n ALA 227 N -0.48 -1.50 -1.63 4.37 0.00 0.11 -4.83 120.51 116.54 3kcv n ALA 227 Ca 0.00 0.49 -0.38 0.00 0.00 0.00 0.00 53.44 53.55 3kcv n ALA 227 Cb 0.04 -1.98 0.05 0.00 0.00 0.00 0.00 19.45 17.56 3kcv n ALA 227 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kcv n SER 228 N 3.66 1.03 0.22 0.00 3.41 -1.26 -4.82 113.62 115.86 3kcv n SER 228 Ca 0.26 0.84 0.17 0.00 -0.26 0.00 0.00 58.87 59.88 3kcv n SER 228 Cb 0.04 -1.41 0.85 0.00 -0.26 0.00 0.00 64.21 63.43 3kcv n SER 228 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3kcv h PRO 229 N 0.67 0.00 -0.08 4.33 0.11 -1.99 0.12 132.00 135.16 3kcv h PRO 229 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3kcv h PRO 229 Cb 1.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 3kcv h PRO 229 CO 0.52 0.00 -0.35 1.05 -0.21 0.00 0.00 178.00 179.01 3kcv h GLU 230 N 0.00 0.16 -0.05 1.05 9.09 -1.99 -1.01 114.58 121.82 3kcv h GLU 230 Ca 0.07 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.42 3kcv h GLU 230 Cb 0.40 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3kcv h GLU 230 CO -0.00 0.50 0.04 0.35 0.05 0.00 0.00 179.01 179.94 3kcv h PHE 231 N 0.14 0.07 -0.23 2.06 3.57 -1.30 0.21 116.94 121.45 3kcv h PHE 231 Ca 0.02 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.58 3kcv h PHE 231 Cb 0.69 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 3kcv h PHE 231 CO 0.01 0.05 0.20 -1.49 -2.23 0.00 0.00 178.31 174.84 3kcv h TRP 232 N 0.07 0.00 0.30 0.41 4.06 -1.29 -1.04 115.95 118.46 3kcv h TRP 232 Ca 0.02 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 3kcv h TRP 232 Cb -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3kcv h TRP 232 CO -0.07 0.00 -0.15 1.15 -3.56 0.00 0.00 178.44 175.81 3kcv h THR 233 N 0.00 0.00 -1.03 1.49 2.02 -0.56 -0.97 112.91 113.86 3kcv h THR 233 Ca 0.11 -0.57 0.26 0.00 0.77 0.00 0.00 66.41 66.98 3kcv h THR 233 Cb 0.50 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.80 3kcv h THR 233 CO -0.00 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.52 3kcv h ALA 234 N -1.24 1.98 0.00 6.16 0.00 -0.30 0.26 119.26 126.11 3kcv h ALA 234 Ca -0.04 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3kcv h ALA 234 Cb 0.31 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kcv h ALA 234 CO 0.07 -0.43 -0.74 -0.39 0.00 0.00 0.00 179.25 177.76 3kcv h VAL 235 N 0.50 0.20 -4.00 0.00 -1.51 -1.33 -3.46 116.25 106.65 3kcv h VAL 235 Ca 0.63 -1.33 -0.11 0.00 -1.23 0.00 0.00 66.70 64.67 3kcv h VAL 235 Cb 1.37 1.84 0.08 0.00 -2.13 0.00 0.00 31.29 32.45 3kcv h VAL 235 CO -0.41 0.11 -0.36 0.61 -1.23 0.00 0.00 177.57 176.29 3kcv n GLY 236 N 1.20 0.05 0.00 5.19 0.00 0.90 -5.05 105.19 107.48 3kcv n GLY 236 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3kcv n GLY 236 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kcv n SER 237 N -2.21 0.00 -3.68 1.61 2.88 -0.48 -5.04 113.62 106.70 3kcv n SER 237 Ca -0.03 -0.84 -0.15 0.00 -1.33 0.00 0.00 58.87 56.52 3kcv n SER 237 Cb 0.55 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.93 3kcv n SER 237 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kcv s ALA 238 N -1.06 -1.12 0.28 -1.46 0.00 -1.26 -4.63 121.76 112.50 3kcv s ALA 238 Ca 0.00 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 3kcv s ALA 238 Cb 0.00 0.01 0.62 0.00 0.00 0.00 0.00 23.12 23.75 3kcv s ALA 238 CO 0.00 -0.29 1.64 -1.35 0.00 0.00 0.00 175.76 175.75 3kcv h PRO 239 N 3.66 0.16 -0.19 0.00 0.11 -1.97 0.39 132.00 134.16 3kcv h PRO 239 Ca -0.29 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.87 3kcv h PRO 239 Cb 1.16 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3kcv h PRO 239 CO 0.39 0.10 0.15 0.93 -0.21 0.00 0.00 178.00 179.36 3kcv h GLU 240 N 0.16 0.00 -0.78 1.05 3.07 -1.95 -0.86 114.58 115.27 3kcv h GLU 240 Ca 0.51 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.40 3kcv h GLU 240 Cb 0.99 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.85 3kcv h GLU 240 CO -0.68 0.00 0.50 -0.91 -1.40 0.00 0.00 179.01 176.52 3kcv h ASN 241 N 0.00 0.82 -1.46 1.42 2.35 -1.32 -3.00 115.58 114.39 3kcv h ASN 241 Ca 0.09 -0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.20 3kcv h ASN 241 Cb 0.39 -0.18 -0.21 0.00 0.05 0.00 0.00 38.32 38.37 3kcv h ASN 241 CO -0.00 0.57 0.92 0.49 -1.65 0.00 0.00 177.43 177.76 3kcv n PHE 242 N -4.60 2.24 -0.28 1.19 3.72 -0.33 -4.75 117.46 114.64 3kcv n PHE 242 Ca 0.09 -2.22 0.12 0.00 -0.05 0.00 0.00 57.45 55.39 3kcv n PHE 242 Cb 0.08 -1.37 0.38 0.00 -0.94 0.00 0.00 39.48 37.63 3kcv n PHE 242 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3kcv h SER 243 N 3.32 0.66 0.25 4.37 4.64 -1.63 -2.22 113.55 122.95 3kcv h SER 243 Ca 0.50 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 3kcv h SER 243 Cb 0.42 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3kcv h SER 243 CO 1.15 0.32 -0.00 1.41 -0.87 0.00 0.00 176.83 178.84 3kcv n HIS 244 N -4.58 0.00 -1.24 4.77 8.25 -1.26 -4.61 115.22 116.55 3kcv n HIS 244 Ca 0.18 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.27 3kcv n HIS 244 Cb 0.49 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 3kcv n HIS 244 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kcv n LEU 245 N -1.11 5.93 -4.28 2.41 4.77 -0.84 -4.72 117.00 119.16 3kcv n LEU 245 Ca 0.20 -3.51 -0.25 0.00 -0.03 0.00 0.00 56.01 52.41 3kcv n LEU 245 Cb 0.17 -1.34 -0.13 0.00 -2.33 0.00 0.00 43.42 39.79 3kcv n LEU 245 CO 0.20 0.73 -0.53 0.42 -1.33 0.00 0.00 177.39 176.89 3kcv s THR 246 N 3.60 1.76 0.22 -5.08 -4.23 -1.26 -4.68 115.64 105.97 3kcv s THR 246 Ca 0.53 -1.39 -0.09 0.00 -1.18 0.00 0.00 61.69 59.56 3kcv s THR 246 Cb 0.14 -1.56 0.21 0.00 1.34 0.00 0.00 72.50 72.63 3kcv s THR 246 CO -0.01 0.10 1.67 0.58 -0.54 0.00 0.00 174.62 176.43 3kcv h VAL 247 N 4.20 0.50 -0.32 2.29 2.07 -1.99 -0.47 116.25 122.54 3kcv h VAL 247 Ca -0.45 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 3kcv h VAL 247 Cb 1.17 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3kcv h VAL 247 CO 0.42 0.03 -0.12 -0.03 0.02 0.00 0.00 177.57 177.89 3kcv h MET 248 N 0.16 0.54 -0.10 1.57 1.85 -1.96 -1.35 114.93 115.63 3kcv h MET 248 Ca 0.35 -0.16 -0.00 0.00 -0.61 0.00 0.00 59.70 59.28 3kcv h MET 248 Cb 0.57 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 32.54 3kcv h MET 248 CO -0.52 0.65 0.05 -0.91 -0.40 0.00 0.00 176.91 175.78 3kcv h ASN 249 N 0.50 0.14 -0.27 1.39 4.21 -1.44 -0.85 115.58 119.25 3kcv h ASN 249 Ca 0.09 -0.13 0.04 0.00 1.21 0.00 0.00 56.30 57.51 3kcv h ASN 249 Cb 0.50 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 37.63 3kcv h ASN 249 CO 0.03 0.23 0.03 0.15 -1.29 0.00 0.00 177.43 176.57 3kcv h PHE 250 N 0.03 0.03 -0.09 1.19 3.57 -0.68 0.15 116.94 121.15 3kcv h PHE 250 Ca 0.04 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3kcv h PHE 250 Cb 0.13 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 3kcv h PHE 250 CO -0.03 -0.01 -0.06 0.82 -2.23 0.00 0.00 178.31 176.80 3kcv h ILE 251 N 0.12 1.33 0.16 1.41 2.04 -1.25 0.02 117.51 121.34 3kcv h ILE 251 Ca 0.13 -1.11 -0.28 0.00 1.00 0.00 0.00 64.86 64.59 3kcv h ILE 251 Cb 0.15 1.88 0.03 0.00 -0.74 0.00 0.00 36.82 38.14 3kcv h ILE 251 CO -0.19 0.31 -1.21 0.71 0.00 0.00 0.00 178.15 177.77 3kcv h THR 252 N -0.18 1.33 -0.00 -0.27 1.35 -1.12 -1.18 112.91 112.83 3kcv h THR 252 Ca 0.02 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 3kcv h THR 252 Cb 0.52 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 3kcv h THR 252 CO 0.02 0.75 -0.45 0.47 -0.25 0.00 0.00 175.52 176.06 3kcv n ASP 253 N -3.85 0.61 0.06 5.36 10.43 0.53 -4.50 116.55 125.19 3kcv n ASP 253 Ca -0.15 -0.39 0.00 0.00 2.57 0.00 0.00 54.79 56.83 3kcv n ASP 253 Cb 0.98 0.23 0.00 0.00 1.84 0.00 0.00 41.12 44.17 3kcv n ASP 253 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3kcv n ASN 254 N -1.32 0.07 -0.22 -2.24 2.85 -0.90 -4.63 115.26 108.86 3kcv n ASN 254 Ca 0.07 0.21 -0.06 0.00 -0.11 0.00 0.00 54.58 54.69 3kcv n ASN 254 Cb 0.34 0.12 0.04 0.00 1.24 0.00 0.00 39.78 41.52 3kcv n ASN 254 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3kcv h LEU 255 N 0.00 0.79 0.38 1.20 5.85 -0.88 0.88 115.31 123.53 3kcv h LEU 255 Ca 0.00 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3kcv h LEU 255 Cb 0.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.83 3kcv h LEU 255 CO 0.00 0.67 -0.18 0.40 -0.34 0.00 0.00 178.44 178.99 3kcv h ILE 256 N 0.86 0.64 -0.08 4.05 2.04 -1.44 -0.44 117.51 123.13 3kcv h ILE 256 Ca 0.22 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.99 3kcv h ILE 256 Cb 0.06 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3kcv h ILE 256 CO -0.03 0.02 -0.08 -0.65 0.00 0.00 0.00 178.15 177.41 3kcv h PRO 257 N -0.57 -0.10 -0.58 2.37 0.11 -1.76 -1.92 132.00 129.55 3kcv h PRO 257 Ca -0.05 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.97 3kcv h PRO 257 Cb 0.43 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 3kcv h PRO 257 CO 0.09 -0.06 -0.00 0.28 -0.21 0.00 0.00 178.00 178.09 3kcv h VAL 258 N -0.10 1.26 -0.47 3.15 2.07 -0.84 -1.08 116.25 120.24 3kcv h VAL 258 Ca 0.06 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 3kcv h VAL 258 Cb 0.19 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3kcv h VAL 258 CO -0.15 0.41 0.14 0.74 0.02 0.00 0.00 177.57 178.74 3kcv h THR 259 N 0.93 1.19 -0.18 2.57 2.02 -0.94 0.13 112.91 118.62 3kcv h THR 259 Ca 0.17 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 3kcv h THR 259 Cb 0.54 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3kcv h THR 259 CO 0.03 0.25 -0.01 0.40 0.37 0.00 0.00 175.52 176.56 3kcv h ILE 260 N 0.68 1.26 -0.99 3.11 2.04 -0.92 -1.13 117.51 121.55 3kcv h ILE 260 Ca 0.16 -0.88 0.10 0.00 1.00 0.00 0.00 64.86 65.23 3kcv h ILE 260 Cb 0.21 1.48 -0.08 0.00 -0.74 0.00 0.00 36.82 37.69 3kcv h ILE 260 CO -0.01 0.27 0.63 1.23 0.00 0.00 0.00 178.15 180.27 3kcv h GLY 261 N 0.07 1.58 0.85 5.37 0.00 -0.77 -0.72 103.07 109.45 3kcv h GLY 261 Ca 0.05 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3kcv h GLY 261 CO 0.01 0.22 -0.00 3.43 0.00 0.00 0.00 176.54 180.20 3kcv h ASN 262 N 1.05 -0.01 -0.43 0.19 -0.26 -0.54 0.95 115.58 116.53 3kcv h ASN 262 Ca 0.47 -0.15 -0.04 0.00 -0.56 0.00 0.00 56.30 56.02 3kcv h ASN 262 Cb 0.37 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 3kcv h ASN 262 CO -0.23 0.15 0.15 0.40 -1.06 0.00 0.00 177.43 176.84 3kcv h ILE 263 N -0.16 1.20 0.00 2.81 2.04 -0.93 0.76 117.51 123.24 3kcv h ILE 263 Ca -0.00 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 3kcv h ILE 263 Cb 0.16 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3kcv h ILE 263 CO 0.00 0.25 -0.18 0.40 0.00 0.00 0.00 178.15 178.63 3kcv h ILE 264 N 0.71 1.04 -0.09 -0.67 2.04 -0.83 0.87 117.51 120.58 3kcv h ILE 264 Ca 0.16 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.30 3kcv h ILE 264 Cb 0.21 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3kcv h ILE 264 CO -0.01 0.17 -0.37 1.23 0.00 0.00 0.00 178.15 179.18 3kcv h GLY 265 N 0.60 0.21 0.00 5.37 0.00 0.31 -0.09 103.07 109.48 3kcv h GLY 265 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3kcv h GLY 265 CO 0.02 0.17 -0.26 -1.33 0.00 0.00 0.00 176.54 175.14 3kcv h GLY 266 N 1.15 0.00 -0.12 4.60 0.00 -1.02 -3.32 103.07 104.36 3kcv h GLY 266 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.44 3kcv h GLY 266 CO 0.05 0.00 -0.23 -1.33 0.00 0.00 0.00 176.54 175.03 3kcv h GLY 267 N -1.00 0.07 0.00 4.60 0.00 -0.89 -0.33 103.07 105.52 3kcv h GLY 267 Ca -0.06 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3kcv h GLY 267 CO -0.04 -0.21 0.00 1.04 0.00 0.00 0.00 176.54 177.33 3kcv n LEU 268 N -5.40 0.00 -0.29 3.11 4.77 -0.05 -0.68 117.00 118.46 3kcv n LEU 268 Ca 0.03 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.20 3kcv n LEU 268 Cb 0.31 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.87 3kcv n LEU 268 CO 0.08 0.00 1.22 -0.07 -1.33 0.00 0.00 177.39 177.29 3kcv h LEU 269 N 0.00 0.50 0.32 2.23 3.38 -1.64 0.14 115.31 120.24 3kcv h LEU 269 Ca 0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3kcv h LEU 269 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kcv h LEU 269 CO 0.00 0.18 -0.15 -0.37 0.09 0.00 0.00 178.44 178.18 3kcv h VAL 270 N 0.49 0.70 -0.57 1.22 -1.51 -1.04 0.24 116.25 115.77 3kcv h VAL 270 Ca 0.52 -0.11 0.09 0.00 -1.23 0.00 0.00 66.70 65.97 3kcv h VAL 270 Cb 1.18 0.76 -0.11 0.00 -2.13 0.00 0.00 31.29 30.99 3kcv h VAL 270 CO -0.24 0.02 -0.39 1.23 -1.23 0.00 0.00 177.57 176.96 3kcv h GLY 271 N -0.49 -0.31 0.43 5.19 0.00 0.15 0.46 103.07 108.51 3kcv h GLY 271 Ca -0.04 0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 3kcv h GLY 271 CO 0.07 -0.18 -0.21 -2.00 0.00 0.00 0.00 176.54 174.22 3kcv h LEU 272 N -0.20 -0.49 -1.93 3.11 5.85 -1.00 -2.30 115.31 118.34 3kcv h LEU 272 Ca 0.20 0.02 0.30 0.00 0.84 0.00 0.00 57.88 59.24 3kcv h LEU 272 Cb 0.56 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 3kcv h LEU 272 CO -0.68 -0.34 0.74 0.74 -0.34 0.00 0.00 178.44 178.56 3kcv h THR 273 N -0.60 0.49 -0.05 1.05 2.02 -0.54 0.29 112.91 115.57 3kcv h THR 273 Ca -0.06 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.11 3kcv h THR 273 Cb 0.45 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3kcv h THR 273 CO 0.10 0.01 -0.10 0.22 0.37 0.00 0.00 175.52 176.11 3kcv h TYR 274 N 0.04 -0.31 -0.81 3.16 3.20 -0.42 -0.74 116.97 121.10 3kcv h TYR 274 Ca 0.50 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.38 3kcv h TYR 274 Cb 1.94 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 40.31 3kcv h TYR 274 CO -0.00 -0.10 0.49 -1.49 -1.64 0.00 0.00 178.16 175.42 3kcv h TRP 275 N -0.09 1.06 -0.02 -3.82 4.06 0.06 -0.73 115.95 116.48 3kcv h TRP 275 Ca 0.01 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.98 3kcv h TRP 275 Cb 0.12 -0.35 -0.02 0.00 -1.00 0.00 0.00 29.16 27.91 3kcv h TRP 275 CO -0.54 0.71 -0.08 0.28 -3.56 0.00 0.00 178.44 175.24 3kcv h VAL 276 N 1.12 0.79 -1.18 1.49 2.07 -1.25 0.46 116.25 119.75 3kcv h VAL 276 Ca 0.29 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 67.26 3kcv h VAL 276 Cb -0.05 0.79 -0.20 0.00 -1.52 0.00 0.00 31.29 30.31 3kcv h VAL 276 CO -0.05 0.00 0.60 -0.38 0.02 0.00 0.00 177.57 177.76 3kcv n ILE 277 N -5.20 3.33 0.00 4.57 5.41 -0.29 -2.49 119.36 124.69 3kcv n ILE 277 Ca -0.06 -3.07 0.00 0.00 1.00 0.00 0.00 62.75 60.63 3kcv n ILE 277 Cb 0.13 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 37.64 3kcv n ILE 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kcv n TYR 278 N 0.27 0.00 0.79 1.39 9.36 -0.30 -4.83 117.16 123.83 3kcv n TYR 278 Ca 0.48 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.82 3kcv n TYR 278 Cb 0.49 0.00 0.12 0.00 -0.63 0.00 0.00 39.34 39.33 3kcv n TYR 278 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3kcv n LEU 279 N -0.43 0.62 0.00 2.98 4.77 0.07 -5.06 117.00 119.95 3kcv n LEU 279 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3kcv n LEU 279 Cb 0.01 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3kcv n LEU 279 CO 0.00 0.08 0.19 0.54 -1.33 0.00 0.00 177.39 176.87