#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 3.12 0.42 5.64 5.65 -1.26 -4.94 115.29 123.93 3kcv s HIS 30 Ca 0.00 -0.97 0.22 0.00 0.25 0.00 0.00 55.06 54.55 3kcv s HIS 30 Cb 0.00 -3.71 1.18 0.00 -1.18 0.00 0.00 32.58 28.87 3kcv s HIS 30 CO 0.00 -1.08 1.77 -1.35 -0.65 0.00 0.00 174.74 173.43 3kcv h PRO 31 N 8.99 0.31 0.02 2.88 0.11 -2.01 -1.07 132.00 141.23 3kcv h PRO 31 Ca -0.29 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.65 3kcv h PRO 31 Cb 1.10 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.15 3kcv h PRO 31 CO 1.02 0.21 -0.61 -0.07 -0.21 0.00 0.00 178.00 178.33 3kcv h LEU 32 N 0.32 0.50 -0.55 2.35 4.07 -1.99 -1.10 115.31 118.91 3kcv h LEU 32 Ca 0.60 -0.79 -0.11 0.00 0.08 0.00 0.00 57.88 57.66 3kcv h LEU 32 Cb 1.67 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 43.23 3kcv h LEU 32 CO -0.27 1.23 -0.10 0.50 -1.08 0.00 0.00 178.44 178.72 3kcv h LYS 33 N -0.17 1.04 -0.05 1.13 3.64 -1.73 -1.64 116.57 118.79 3kcv h LYS 33 Ca -0.08 -0.38 0.02 0.00 -1.27 0.00 0.00 60.65 58.93 3kcv h LYS 33 Cb 1.34 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 3kcv h LYS 33 CO 0.12 1.08 -0.07 1.15 -2.27 0.00 0.00 179.45 179.46 3kcv h THR 34 N 0.92 0.81 -0.30 1.00 2.02 -1.30 -0.96 112.91 115.10 3kcv h THR 34 Ca 0.14 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.39 3kcv h THR 34 Cb 0.68 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 3kcv h THR 34 CO 0.05 0.00 -0.13 0.15 0.37 0.00 0.00 175.52 175.96 3kcv h PHE 35 N -0.10 -0.30 0.08 3.16 3.57 -1.07 0.98 116.94 123.26 3kcv h PHE 35 Ca 0.04 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.60 3kcv h PHE 35 Cb 0.16 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 3kcv h PHE 35 CO -0.16 -0.19 -0.24 1.88 -2.23 0.00 0.00 178.31 177.37 3kcv h TYR 36 N -0.07 -0.65 -0.18 0.41 0.05 -1.06 0.36 116.97 115.83 3kcv h TYR 36 Ca 0.15 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.97 3kcv h TYR 36 Cb 0.31 0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 3kcv h TYR 36 CO -0.33 -0.34 0.12 -0.07 -1.05 0.00 0.00 178.16 176.49 3kcv h LEU 37 N -0.42 0.12 -0.64 3.88 3.38 -0.92 -0.04 115.31 120.67 3kcv h LEU 37 Ca 0.04 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3kcv h LEU 37 Cb 0.46 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3kcv h LEU 37 CO -0.16 0.09 -0.12 0.00 0.09 0.00 0.00 178.44 178.33 3kcv h ALA 38 N 1.90 0.83 -0.54 1.53 0.00 0.04 -1.24 119.26 121.79 3kcv h ALA 38 Ca 0.07 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.67 3kcv h ALA 38 Cb 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3kcv h ALA 38 CO -0.01 0.65 0.30 0.82 0.00 0.00 0.00 179.25 181.01 3kcv h ILE 39 N 0.84 1.00 -0.48 0.00 2.04 0.81 -1.22 117.51 120.49 3kcv h ILE 39 Ca 0.13 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.83 3kcv h ILE 39 Cb 0.66 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 3kcv h ILE 39 CO 0.05 0.11 0.24 0.74 0.00 0.00 0.00 178.15 179.28 3kcv h THR 40 N 0.58 0.96 -0.35 -0.27 2.02 -0.63 -1.73 112.91 113.50 3kcv h THR 40 Ca 0.23 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 3kcv h THR 40 Cb 0.09 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3kcv h THR 40 CO -0.13 0.09 -0.17 0.00 0.37 0.00 0.00 175.52 175.67 3kcv h ALA 41 N 1.26 1.05 -0.69 6.16 0.00 -0.97 0.14 119.26 126.21 3kcv h ALA 41 Ca 0.21 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3kcv h ALA 41 Cb 0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3kcv h ALA 41 CO -0.15 0.58 0.39 0.78 0.00 0.00 0.00 179.25 180.84 3kcv h GLY 42 N 0.98 1.02 0.88 0.00 0.00 -0.83 0.21 103.07 105.33 3kcv h GLY 42 Ca 0.09 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3kcv h GLY 42 CO 0.04 0.16 -0.00 -2.08 0.00 0.00 0.00 176.54 174.66 3kcv h VAL 43 N 0.71 1.26 -0.56 4.60 2.07 -0.85 -2.29 116.25 121.18 3kcv h VAL 43 Ca 0.31 -0.94 0.09 0.00 0.82 0.00 0.00 66.70 66.97 3kcv h VAL 43 Cb 0.20 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 3kcv h VAL 43 CO -0.19 0.30 0.19 -0.26 0.02 0.00 0.00 177.57 177.63 3kcv h PHE 44 N 0.32 0.33 -0.07 1.57 -1.00 -0.06 -0.23 116.94 117.80 3kcv h PHE 44 Ca 0.08 0.03 -0.15 0.00 2.81 0.00 0.00 57.97 60.74 3kcv h PHE 44 Cb 0.44 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 3kcv h PHE 44 CO 0.04 0.08 -0.62 0.97 -1.61 0.00 0.00 178.31 177.16 3kcv h ILE 45 N 0.36 1.39 -0.25 -0.55 6.09 -0.60 -1.73 117.51 122.23 3kcv h ILE 45 Ca 0.28 -2.02 0.00 0.00 -1.37 0.00 0.00 64.86 61.75 3kcv h ILE 45 Cb 0.34 2.03 -0.01 0.00 0.47 0.00 0.00 36.82 39.65 3kcv h ILE 45 CO -0.30 0.60 0.16 0.28 -3.07 0.00 0.00 178.15 175.82 3kcv h SER 46 N 0.18 0.27 -0.89 2.19 0.02 -0.95 -1.98 113.55 112.38 3kcv h SER 46 Ca -0.01 -0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.09 3kcv h SER 46 Cb 1.14 -0.07 -0.10 0.00 0.14 0.00 0.00 62.40 63.52 3kcv h SER 46 CO 0.10 0.20 0.49 0.40 -1.14 0.00 0.00 176.83 176.88 3kcv h ILE 47 N 0.33 0.75 -0.65 3.27 2.04 -0.71 0.75 117.51 123.28 3kcv h ILE 47 Ca 0.09 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3kcv h ILE 47 Cb -0.03 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.02 3kcv h ILE 47 CO -0.03 0.13 0.34 0.00 0.00 0.00 0.00 178.15 178.59 3kcv h ALA 48 N 1.57 0.83 -0.49 1.87 0.00 -0.83 -1.62 119.26 120.59 3kcv h ALA 48 Ca 0.49 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 3kcv h ALA 48 Cb 0.68 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3kcv h ALA 48 CO -0.36 0.37 -0.14 0.74 0.00 0.00 0.00 179.25 179.86 3kcv h PHE 49 N 0.89 1.05 -0.80 0.00 0.04 -0.43 -2.06 116.94 115.64 3kcv h PHE 49 Ca 0.23 -0.22 0.02 0.00 2.80 0.00 0.00 57.97 60.80 3kcv h PHE 49 Cb 0.07 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 37.92 3kcv h PHE 49 CO -0.00 1.01 0.52 0.28 -0.60 0.00 0.00 178.31 179.51 3kcv h VAL 50 N 0.83 1.16 -0.73 -0.55 2.07 -0.73 -0.98 116.25 117.33 3kcv h VAL 50 Ca 0.13 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3kcv h VAL 50 Cb 0.68 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3kcv h VAL 50 CO 0.05 0.19 0.47 0.15 0.02 0.00 0.00 177.57 178.45 3kcv h PHE 51 N 1.04 0.92 -0.59 1.57 3.04 -0.97 0.34 116.94 122.29 3kcv h PHE 51 Ca 0.31 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.23 3kcv h PHE 51 Cb -0.05 -0.31 -0.03 0.00 2.56 0.00 0.00 35.95 38.12 3kcv h PHE 51 CO -0.02 0.59 0.21 -0.92 -2.02 0.00 0.00 178.31 176.15 3kcv h TYR 52 N 0.99 0.89 -0.21 0.41 3.20 -0.84 0.44 116.97 121.85 3kcv h TYR 52 Ca 0.26 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 3kcv h TYR 52 Cb -0.10 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.90 3kcv h TYR 52 CO -0.02 0.70 -0.13 0.82 -1.64 0.00 0.00 178.16 177.90 3kcv h ILE 53 N 0.86 1.31 -0.50 1.81 1.08 -0.81 -1.79 117.51 119.47 3kcv h ILE 53 Ca 0.20 -1.22 -0.02 0.00 -0.39 0.00 0.00 64.86 63.44 3kcv h ILE 53 Cb 0.21 1.65 -0.02 0.00 -3.07 0.00 0.00 36.82 35.58 3kcv h ILE 53 CO -0.01 0.37 0.24 0.74 -0.69 0.00 0.00 178.15 178.80 3kcv h THR 54 N 0.16 1.17 0.07 -0.27 2.02 -0.44 -1.61 112.91 114.01 3kcv h THR 54 Ca 0.04 -0.47 -0.27 0.00 0.77 0.00 0.00 66.41 66.48 3kcv h THR 54 Cb 0.63 0.53 0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3kcv h THR 54 CO 0.04 0.19 -1.13 0.00 0.37 0.00 0.00 175.52 174.99 3kcv h ALA 55 N 1.57 0.12 0.00 6.16 0.00 -0.85 -3.33 119.26 122.93 3kcv h ALA 55 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3kcv h ALA 55 Cb 0.07 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kcv h ALA 55 CO -0.02 0.75 -0.60 0.25 0.00 0.00 0.00 179.25 179.63 3kcv n THR 56 N -3.76 0.26 -1.63 0.00 -2.24 -0.68 -4.86 114.28 101.38 3kcv n THR 56 Ca -0.11 -0.21 -0.52 0.00 -2.27 0.00 0.00 64.05 60.95 3kcv n THR 56 Cb 0.93 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 69.05 3kcv n THR 56 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3kcv n THR 57 N -1.96 0.39 -0.54 4.28 -1.04 -0.62 -1.60 114.28 113.19 3kcv n THR 57 Ca 0.04 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3kcv n THR 57 Cb 0.41 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 3kcv n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kcv n GLY 58 N 4.94 0.78 1.55 3.41 0.00 -1.26 -4.98 105.19 109.63 3kcv n GLY 58 Ca 0.29 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.46 2.79 0.32 2.61 -2.24 -0.63 -4.32 114.28 110.35 3kcv n THR 59 Ca 0.00 -2.51 0.16 0.00 -2.27 0.00 0.00 64.05 59.43 3kcv n THR 59 Cb 0.03 -0.39 0.66 0.00 -2.10 0.00 0.00 70.33 68.54 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 1.02 0.00 0.00 3.38 0.00 -1.94 -2.85 103.07 102.69 3kcv h GLY 60 Ca 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.65 3kcv h GLY 60 CO 0.65 0.00 -2.03 -1.30 0.00 0.00 0.00 176.54 173.86 3kcv n THR 61 N -2.76 0.20 -2.23 4.70 -2.24 -1.26 -4.96 114.28 105.72 3kcv n THR 61 Ca 0.01 -0.54 -0.37 0.00 -2.27 0.00 0.00 64.05 60.87 3kcv n THR 61 Cb 0.25 -0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.41 3kcv n THR 61 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3kcv s MET 62 N -3.33 3.81 0.02 -0.78 1.00 -1.08 -4.94 119.30 114.00 3kcv s MET 62 Ca -0.08 1.83 -0.35 0.00 0.00 0.00 0.00 55.69 57.08 3kcv s MET 62 Cb 0.12 -2.48 -0.14 0.00 0.00 0.00 0.00 34.83 32.34 3kcv s MET 62 CO 0.87 -0.53 1.62 -2.30 0.00 0.00 0.00 175.02 174.68 3kcv n PRO 63 N -0.36 1.78 -0.35 2.03 -0.02 -1.26 -4.80 135.00 132.02 3kcv n PRO 63 Ca 0.07 0.64 -0.08 0.00 -2.02 0.00 0.00 63.50 62.11 3kcv n PRO 63 Cb 0.47 -2.39 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 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 4.25 -0.33 0.00 6.00 7.35 -1.26 -1.64 117.46 131.82 3kcv n PHE 64 Ca 0.20 1.04 0.00 0.00 -0.76 0.00 0.00 57.45 57.93 3kcv n PHE 64 Cb 0.24 -0.59 0.00 0.00 0.35 0.00 0.00 39.48 39.49 3kcv n PHE 64 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kcv n GLY 65 N -1.23 -2.86 0.35 7.13 0.00 -1.26 -1.78 105.19 105.55 3kcv n GLY 65 Ca 0.02 0.30 0.09 0.00 0.00 0.00 0.00 46.02 46.44 3kcv n GLY 65 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3kcv h MET 66 N 0.00 0.00 -0.13 1.61 2.86 -1.68 0.46 114.93 118.04 3kcv h MET 66 Ca 0.00 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3kcv h MET 66 Cb 0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3kcv h MET 66 CO 0.00 0.00 0.04 0.00 1.06 0.00 0.00 176.91 178.02 3kcv h ALA 67 N 1.99 0.14 -0.02 6.32 0.00 -1.36 -1.69 119.26 124.64 3kcv h ALA 67 Ca 0.52 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.32 3kcv h ALA 67 Cb 0.93 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3kcv h ALA 67 CO -0.98 -0.40 -0.60 0.87 0.00 0.00 0.00 179.25 178.13 3kcv h LYS 68 N 0.11 0.06 0.37 0.00 6.56 0.62 -1.30 116.57 122.98 3kcv h LYS 68 Ca 0.06 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 3kcv h LYS 68 Cb 0.03 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 3kcv h LYS 68 CO -0.06 0.64 -0.18 1.25 -2.06 0.00 0.00 179.45 179.05 3kcv h LEU 69 N 0.04 -0.42 -1.03 2.94 5.85 -0.73 0.30 115.31 122.27 3kcv h LEU 69 Ca -0.01 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.74 3kcv h LEU 69 Cb 1.08 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 3kcv h LEU 69 CO 0.08 -0.24 0.65 0.58 -0.34 0.00 0.00 178.44 179.16 3kcv h VAL 70 N -0.55 1.13 -0.05 1.05 2.07 -1.23 -0.68 116.25 117.98 3kcv h VAL 70 Ca -0.05 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.09 3kcv h VAL 70 Cb 0.42 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 3kcv h VAL 70 CO 0.08 0.22 -0.14 1.23 0.02 0.00 0.00 177.57 178.98 3kcv h GLY 71 N 1.21 -0.14 1.75 2.17 0.00 -1.13 -1.99 103.07 104.94 3kcv h GLY 71 Ca 0.41 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.91 3kcv h GLY 71 CO -0.14 -0.14 0.17 -1.33 0.00 0.00 0.00 176.54 175.09 3kcv h GLY 72 N -0.21 0.36 1.23 4.60 0.00 -0.06 0.55 103.07 109.54 3kcv h GLY 72 Ca 0.07 -0.13 -0.16 0.00 0.00 0.00 0.00 47.33 47.10 3kcv h GLY 72 CO -0.18 0.13 -0.43 -2.22 0.00 0.00 0.00 176.54 173.84 3kcv h ILE 73 N 0.35 1.28 0.00 2.60 2.04 -1.04 -2.65 117.51 120.09 3kcv h ILE 73 Ca 0.09 -1.61 -0.04 0.00 1.00 0.00 0.00 64.86 64.31 3kcv h ILE 73 Cb -0.04 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3kcv h ILE 73 CO -0.02 0.53 -0.19 0.00 0.00 0.00 0.00 178.15 178.46 3kcv h PHE 75 N 0.00 0.30 0.00 0.00 3.57 -0.59 -3.09 116.94 117.13 3kcv h PHE 75 Ca -0.00 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 3kcv h PHE 75 Cb 0.44 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3kcv h PHE 75 CO 0.00 0.51 -0.03 0.66 -2.23 0.00 0.00 178.31 177.22 3kcv h SER 76 N 0.25 0.00 -0.90 0.41 4.64 -1.34 -1.59 113.55 115.02 3kcv h SER 76 Ca 0.04 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.61 3kcv h SER 76 Cb 0.59 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.54 3kcv h SER 76 CO 0.04 0.03 0.30 0.25 -0.87 0.00 0.00 176.83 176.58 3kcv h LEU 77 N 0.00 0.11 0.11 5.97 7.12 -1.70 -0.29 115.31 126.63 3kcv h LEU 77 Ca -0.00 0.19 0.02 0.00 0.13 0.00 0.00 57.88 58.22 3kcv h LEU 77 Cb 0.07 0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 40.40 3kcv h LEU 77 CO 0.00 -0.14 -0.35 1.23 -0.13 0.00 0.00 178.44 179.06 3kcv h GLY 78 N 0.24 -0.67 0.94 3.75 0.00 -1.50 0.15 103.07 105.98 3kcv h GLY 78 Ca 0.58 0.42 -0.02 0.00 0.00 0.00 0.00 47.33 48.30 3kcv h GLY 78 CO -0.64 -0.25 0.16 -2.00 0.00 0.00 0.00 176.54 173.81 3kcv h LEU 79 N -0.57 0.57 -0.79 3.11 5.85 -1.50 -1.67 115.31 120.30 3kcv h LEU 79 Ca 0.03 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.69 3kcv h LEU 79 Cb 0.61 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 3kcv h LEU 79 CO -0.21 0.58 0.41 0.40 -0.34 0.00 0.00 178.44 179.29 3kcv h ILE 80 N 0.51 0.83 -0.60 4.05 2.04 -0.92 -0.96 117.51 122.47 3kcv h ILE 80 Ca 0.14 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3kcv h ILE 80 Cb 0.20 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 3kcv h ILE 80 CO -0.01 0.12 0.34 -0.07 0.00 0.00 0.00 178.15 178.54 3kcv h LEU 81 N 0.67 0.53 -0.93 1.44 4.07 -0.37 -0.98 115.31 119.73 3kcv h LEU 81 Ca 0.40 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.33 3kcv h LEU 81 Cb 0.45 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.07 3kcv h LEU 81 CO -0.29 0.36 0.24 0.00 -1.08 0.00 0.00 178.44 177.67 3kcv h VAL 83 N 0.99 0.09 0.00 0.00 2.07 -1.15 0.13 116.25 118.38 3kcv h VAL 83 Ca 0.23 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3kcv h VAL 83 Cb 0.23 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3kcv h VAL 83 CO -0.01 0.03 0.00 0.58 0.02 0.00 0.00 177.57 178.18 3kcv h VAL 84 N -1.00 0.00 -0.01 2.57 2.07 -1.25 -0.10 116.25 118.53 3kcv h VAL 84 Ca -0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3kcv h VAL 84 Cb 0.10 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3kcv h VAL 84 CO -0.00 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.37 3kcv n GLY 86 N 1.03 -0.19 0.08 0.00 0.00 -0.05 -5.02 105.19 101.04 3kcv n GLY 86 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 3kcv n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcv n ALA 87 N -4.14 -0.03 -3.85 4.61 0.00 -0.08 -5.02 120.51 112.01 3kcv n ALA 87 Ca -0.01 -0.04 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 3kcv n ALA 87 Cb 0.55 -0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.84 3kcv n ALA 87 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kcv s ASP 88 N -1.10 2.88 -0.18 0.00 2.15 -1.10 -4.88 116.67 114.44 3kcv s ASP 88 Ca 0.02 -0.72 -0.01 0.00 0.43 0.00 0.00 52.55 52.26 3kcv s ASP 88 Cb -0.00 -0.83 -0.00 0.00 -0.30 0.00 0.00 42.92 41.79 3kcv s ASP 88 CO 0.01 -0.22 -0.11 -0.22 -0.17 0.00 0.00 175.17 174.46 3kcv s LEU 89 N 1.69 2.63 -0.34 -1.34 2.96 -1.26 -4.11 118.68 118.91 3kcv s LEU 89 Ca -0.00 -0.45 -0.31 0.00 -0.22 0.00 0.00 54.13 53.15 3kcv s LEU 89 Cb -0.16 -1.63 -0.13 0.00 0.50 0.00 0.00 46.19 44.77 3kcv s LEU 89 CO -0.07 0.04 1.18 0.33 -1.32 0.00 0.00 176.35 176.50 3kcv n PHE 90 N 4.40 1.09 0.00 5.38 7.35 -1.26 -0.39 117.46 134.02 3kcv n PHE 90 Ca -0.19 0.71 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 3kcv n PHE 90 Cb 0.51 -1.52 0.00 0.00 0.35 0.00 0.00 39.48 38.82 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 3.15 0.00 -0.31 -2.13 -2.24 -1.26 -4.89 114.28 106.60 3kcv n THR 91 Ca 0.25 0.00 0.29 0.00 -2.27 0.00 0.00 64.05 62.32 3kcv n THR 91 Cb -0.04 0.00 0.63 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.22 -0.20 3.42 4.64 -1.13 -1.64 113.55 118.87 3kcv h SER 92 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3kcv h SER 92 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3kcv h SER 92 CO 0.00 0.04 0.00 0.35 -0.87 0.00 0.00 176.83 176.35 3kcv n THR 93 N -4.42 2.06 -0.08 2.95 -2.24 -1.26 -4.48 114.28 106.82 3kcv n THR 93 Ca 0.25 -1.88 0.24 0.00 -2.27 0.00 0.00 64.05 60.39 3kcv n THR 93 Cb 1.05 -0.17 0.71 0.00 -2.10 0.00 0.00 70.33 69.82 3kcv n THR 93 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3kcv h VAL 94 N 1.34 0.65 -0.21 2.28 3.04 -1.69 -1.98 116.25 119.68 3kcv h VAL 94 Ca 0.00 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.49 3kcv h VAL 94 Cb 1.26 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3kcv h VAL 94 CO 0.15 0.00 -0.67 -0.07 -1.01 0.00 0.00 177.57 175.97 3kcv h LEU 95 N 0.00 0.91 -0.61 3.16 3.38 -1.86 -2.19 115.31 118.09 3kcv h LEU 95 Ca 0.33 -0.55 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3kcv h LEU 95 Cb 1.32 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3kcv h LEU 95 CO -0.00 1.34 0.12 0.40 0.09 0.00 0.00 178.44 180.39 3kcv h ILE 96 N 0.57 1.26 -0.05 1.22 5.03 -1.77 -0.62 117.51 123.15 3kcv h ILE 96 Ca -0.02 -0.96 0.01 0.00 -0.12 0.00 0.00 64.86 63.77 3kcv h ILE 96 Cb 1.28 0.70 -0.00 0.00 -3.03 0.00 0.00 36.82 35.77 3kcv h ILE 96 CO 0.14 0.36 0.04 0.58 -0.68 0.00 0.00 178.15 178.59 3kcv h VAL 97 N 0.91 0.74 0.02 1.67 2.07 -1.25 0.69 116.25 121.10 3kcv h VAL 97 Ca 0.19 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 3kcv h VAL 97 Cb 0.39 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3kcv h VAL 97 CO 0.01 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 178.17 3kcv h VAL 98 N 0.00 1.39 0.00 2.57 2.07 -1.10 -3.37 116.25 117.81 3kcv h VAL 98 Ca 0.02 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.65 3kcv h VAL 98 Cb 0.11 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3kcv h VAL 98 CO -0.00 0.45 0.00 0.00 0.02 0.00 0.00 177.57 178.03 3kcv n ALA 99 N -2.60 2.19 -0.06 1.67 0.00 -0.27 -1.38 120.51 120.06 3kcv n ALA 99 Ca -0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.23 3kcv n ALA 99 Cb 0.36 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 3kcv n ALA 99 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kcv h LYS 100 N 0.00 0.00 -0.27 0.00 1.57 -1.04 -3.29 116.57 113.55 3kcv h LYS 100 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kcv h LYS 100 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kcv h LYS 100 CO 0.00 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 3kcv n ALA 101 N -2.88 2.21 0.00 3.86 0.00 -1.16 -4.81 120.51 117.73 3kcv n ALA 101 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3kcv n ALA 101 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3kcv n ALA 101 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kcv n SER 102 N -0.28 0.00 0.00 0.00 7.64 -0.81 -0.94 113.62 119.23 3kcv n SER 102 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3kcv n SER 102 Cb 0.07 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 3kcv n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcv n GLY 103 N -1.68 0.70 0.21 0.23 0.00 -0.48 -4.73 105.19 99.43 3kcv n GLY 103 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3kcv n GLY 103 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kcv h ARG 104 N 0.00 0.00 -5.91 1.61 0.11 -1.29 -3.39 114.38 105.51 3kcv h ARG 104 Ca 0.00 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.59 3kcv h ARG 104 Cb 0.00 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 3kcv h ARG 104 CO 0.00 0.00 1.39 -1.50 0.10 0.00 0.00 179.97 179.96 3kcv s ILE 105 N -3.68 3.29 0.87 0.08 2.07 -1.26 -4.96 121.20 117.61 3kcv s ILE 105 Ca -0.02 0.16 -0.11 0.00 -1.41 0.00 0.00 60.65 59.27 3kcv s ILE 105 Cb 0.08 -3.78 0.11 0.00 0.13 0.00 0.00 42.46 39.01 3kcv s ILE 105 CO 0.29 -0.75 1.09 0.28 -1.91 0.00 0.00 174.94 173.94 3kcv s THR 106 N 9.66 2.80 0.06 4.00 -1.32 -1.26 -4.82 115.64 124.75 3kcv s THR 106 Ca 0.72 0.26 -0.35 0.00 -1.21 0.00 0.00 61.69 61.11 3kcv s THR 106 Cb -0.13 -2.75 -0.19 0.00 -1.51 0.00 0.00 72.50 67.91 3kcv s THR 106 CO 0.21 -0.34 1.53 -0.50 -2.21 0.00 0.00 174.62 173.31 3kcv h TRP 107 N -1.45 -1.19 -0.85 9.09 6.55 -1.95 -0.60 115.95 125.54 3kcv h TRP 107 Ca -0.48 -0.03 0.07 0.00 0.95 0.00 0.00 58.89 59.41 3kcv h TRP 107 Cb 1.27 0.40 -0.07 0.00 -0.86 0.00 0.00 29.16 29.91 3kcv h TRP 107 CO 0.46 -0.73 0.52 0.78 -1.05 0.00 0.00 178.44 178.41 3kcv h GLY 108 N -1.26 1.30 1.34 1.49 0.00 -1.99 0.27 103.07 104.23 3kcv h GLY 108 Ca -0.13 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 46.85 3kcv h GLY 108 CO 0.20 0.22 0.42 -1.61 0.00 0.00 0.00 176.54 175.77 3kcv h GLN 109 N 0.92 0.80 -0.56 4.80 4.15 -1.95 -1.84 115.11 121.42 3kcv h GLN 109 Ca 0.38 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.70 3kcv h GLN 109 Cb 0.24 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 3kcv h GLN 109 CO -0.20 0.53 0.12 -0.07 -1.93 0.00 0.00 178.83 177.28 3kcv h LEU 110 N 0.82 0.86 -0.25 -2.39 3.38 0.11 -3.35 115.31 114.48 3kcv h LEU 110 Ca 0.24 -0.24 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3kcv h LEU 110 Cb -0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3kcv h LEU 110 CO -0.06 0.88 -0.89 0.00 0.09 0.00 0.00 178.44 178.46 3kcv h ALA 111 N 1.01 0.47 0.00 1.53 0.00 -0.05 -3.42 119.26 118.79 3kcv h ALA 111 Ca 0.17 -0.71 -0.40 0.00 0.00 0.00 0.00 54.91 53.97 3kcv h ALA 111 Cb 0.36 -0.05 0.10 0.00 0.00 0.00 0.00 17.79 18.20 3kcv h ALA 111 CO 0.00 0.87 1.25 0.36 0.00 0.00 0.00 179.25 181.73 3kcv n LYS 112 N -3.70 0.00 0.00 0.00 2.85 -0.87 -2.04 118.16 114.40 3kcv n LYS 112 Ca -0.05 -0.84 0.00 0.00 -1.05 0.00 0.00 58.31 56.37 3kcv n LYS 112 Cb 0.81 -2.34 0.00 0.00 -0.65 0.00 0.00 35.03 32.85 3kcv n LYS 112 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3kcv n ASN 113 N 7.73 0.00 -0.34 -5.58 4.05 -1.26 -4.97 115.26 114.88 3kcv n ASN 113 Ca 0.32 0.00 0.09 0.00 0.45 0.00 0.00 54.58 55.44 3kcv n ASN 113 Cb 0.29 0.00 0.26 0.00 1.23 0.00 0.00 39.78 41.55 3kcv n ASN 113 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 177.26 173.71 3kcv h TRP 114 N 0.00 1.04 -0.19 1.20 6.55 -1.72 0.71 115.95 123.55 3kcv h TRP 114 Ca 0.00 0.03 0.05 0.00 0.95 0.00 0.00 58.89 59.93 3kcv h TRP 114 Cb 0.00 -0.32 -0.06 0.00 -0.86 0.00 0.00 29.16 27.92 3kcv h TRP 114 CO 0.00 0.34 -0.21 1.25 -1.05 0.00 0.00 178.44 178.77 3kcv h LEU 115 N 0.85 -0.66 -0.49 -4.49 5.85 -1.94 0.15 115.31 114.59 3kcv h LEU 115 Ca 0.51 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 59.33 3kcv h LEU 115 Cb 0.63 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 3kcv h LEU 115 CO -0.32 -0.25 0.21 -1.13 -0.34 0.00 0.00 178.44 176.61 3kcv h ASN 116 N -0.24 0.66 0.51 1.25 -1.24 -1.49 -1.91 115.58 113.12 3kcv h ASN 116 Ca 0.12 -0.15 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 3kcv h ASN 116 Cb 0.42 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.30 3kcv h ASN 116 CO -0.33 0.63 -0.28 0.58 -1.29 0.00 0.00 177.43 176.75 3kcv h VAL 117 N 0.64 0.00 -0.99 2.57 2.07 -0.42 -1.49 116.25 118.64 3kcv h VAL 117 Ca 0.16 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.96 3kcv h VAL 117 Cb 0.16 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.75 3kcv h VAL 117 CO -0.02 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.62 3kcv n TYR 118 N -4.06 0.66 -0.06 1.57 9.36 0.48 -0.07 117.16 125.03 3kcv n TYR 118 Ca -0.09 1.20 -0.15 0.00 3.32 0.00 0.00 57.90 62.18 3kcv n TYR 118 Cb 0.29 -1.26 -0.06 0.00 -0.63 0.00 0.00 39.34 37.68 3kcv n TYR 118 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 3kcv h PHE 119 N 0.00 0.84 -0.75 2.98 3.57 -1.30 -1.56 116.94 120.73 3kcv h PHE 119 Ca 0.61 -0.31 0.06 0.00 3.53 0.00 0.00 57.97 61.86 3kcv h PHE 119 Cb 1.28 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.81 3kcv h PHE 119 CO -0.48 1.08 0.44 0.78 -2.23 0.00 0.00 178.31 177.90 3kcv h GLY 120 N 0.37 1.11 0.32 2.40 0.00 -0.08 -0.93 103.07 106.25 3kcv h GLY 120 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3kcv h GLY 120 CO 0.10 0.22 -0.49 3.43 0.00 0.00 0.00 176.54 179.80 3kcv h ASN 121 N 0.82 -1.41 -0.60 0.19 -0.26 -0.23 -1.47 115.58 112.63 3kcv h ASN 121 Ca 0.33 0.14 0.11 0.00 -0.56 0.00 0.00 56.30 56.32 3kcv h ASN 121 Cb 0.15 0.50 -0.09 0.00 -1.06 0.00 0.00 38.32 37.83 3kcv h ASN 121 CO -0.17 -0.58 0.11 0.25 -1.06 0.00 0.00 177.43 175.98 3kcv h LEU 122 N -0.82 -0.04 -0.32 1.61 5.85 -1.08 0.18 115.31 120.68 3kcv h LEU 122 Ca -0.02 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3kcv h LEU 122 Cb 0.78 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.91 3kcv h LEU 122 CO -0.19 -0.01 -0.18 0.58 -0.34 0.00 0.00 178.44 178.30 3kcv h VAL 123 N 0.23 0.48 -0.91 1.05 2.07 -0.88 0.83 116.25 119.13 3kcv h VAL 123 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.84 3kcv h VAL 123 Cb 0.47 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3kcv h VAL 123 CO -0.42 0.00 0.58 1.23 0.02 0.00 0.00 177.57 178.98 3kcv h GLY 124 N -0.13 1.29 0.87 2.17 0.00 -0.12 -0.40 103.07 106.74 3kcv h GLY 124 Ca 0.17 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3kcv h GLY 124 CO -0.40 0.49 -0.13 0.00 0.00 0.00 0.00 176.54 176.50 3kcv h ALA 125 N 1.40 -0.35 -0.50 3.60 0.00 -0.17 -1.85 119.26 121.39 3kcv h ALA 125 Ca 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3kcv h ALA 125 Cb -0.11 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kcv h ALA 125 CO -0.07 -0.63 0.19 -0.07 0.00 0.00 0.00 179.25 178.67 3kcv h LEU 126 N -0.49 0.66 -0.56 0.00 3.38 -0.69 0.15 115.31 117.76 3kcv h LEU 126 Ca -0.04 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 57.96 3kcv h LEU 126 Cb 0.36 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 3kcv h LEU 126 CO 0.06 0.61 0.10 -0.07 0.09 0.00 0.00 178.44 179.23 3kcv h LEU 127 N 0.72 -0.03 -0.40 1.67 3.38 -0.95 -1.74 115.31 117.95 3kcv h LEU 127 Ca 0.17 0.11 -0.18 0.00 0.09 0.00 0.00 57.88 58.07 3kcv h LEU 127 Cb 0.16 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3kcv h LEU 127 CO -0.01 0.00 -0.72 0.15 0.09 0.00 0.00 178.44 177.95 3kcv h PHE 128 N 0.23 0.58 -0.81 1.13 3.57 0.05 -1.83 116.94 119.85 3kcv h PHE 128 Ca 0.29 -0.25 0.11 0.00 3.53 0.00 0.00 57.97 61.65 3kcv h PHE 128 Cb 0.42 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 3kcv h PHE 128 CO -0.25 1.01 0.43 0.28 -2.23 0.00 0.00 178.31 177.55 3kcv h VAL 129 N 0.30 0.83 0.89 1.41 2.07 -0.61 0.03 116.25 121.16 3kcv h VAL 129 Ca -0.03 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3kcv h VAL 129 Cb 1.29 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3kcv h VAL 129 CO 0.12 0.13 -0.43 0.25 0.02 0.00 0.00 177.57 177.66 3kcv h LEU 130 N 0.69 -1.01 -0.65 2.57 5.85 -0.90 0.65 115.31 122.51 3kcv h LEU 130 Ca 0.41 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.30 3kcv h LEU 130 Cb 0.47 0.26 -0.12 0.00 0.37 0.00 0.00 40.66 41.65 3kcv h LEU 130 CO -0.29 -0.67 -0.08 0.25 -0.34 0.00 0.00 178.44 177.30 3kcv h LEU 131 N -1.30 -0.45 -0.36 2.25 5.85 -1.22 0.43 115.31 120.50 3kcv h LEU 131 Ca -0.12 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3kcv h LEU 131 Cb 0.92 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3kcv h LEU 131 CO 0.20 -0.18 0.10 0.24 -0.34 0.00 0.00 178.44 178.47 3kcv h MET 132 N 0.05 0.57 -0.54 1.25 2.86 -0.92 -0.04 114.93 118.15 3kcv h MET 132 Ca 0.33 -0.13 0.04 0.00 -2.06 0.00 0.00 59.70 57.89 3kcv h MET 132 Cb 0.53 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 3kcv h MET 132 CO -0.62 0.60 0.36 2.35 1.06 0.00 0.00 176.91 180.66 3kcv h TRP 133 N 0.44 0.56 -0.08 -0.22 2.91 -0.32 -2.78 115.95 116.46 3kcv h TRP 133 Ca 0.12 0.01 -0.17 0.00 1.13 0.00 0.00 58.89 59.98 3kcv h TRP 133 Cb 0.27 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 3kcv h TRP 133 CO 0.01 0.32 -0.69 -0.07 -1.03 0.00 0.00 178.44 176.97 3kcv h LEU 134 N 0.57 0.43 -1.93 0.65 3.38 0.38 -3.00 115.31 115.79 3kcv h LEU 134 Ca 0.23 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3kcv h LEU 134 Cb 0.18 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kcv h LEU 134 CO -0.06 0.99 0.00 0.77 0.09 0.00 0.00 178.44 180.23 3kcv h SER 135 N 0.26 0.00 -0.97 -0.43 4.64 -0.76 -3.45 113.55 112.83 3kcv h SER 135 Ca -0.02 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.15 3kcv h SER 135 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3kcv h SER 135 CO 0.12 0.00 -0.18 0.61 -0.87 0.00 0.00 176.83 176.50 3kcv n GLY 136 N -0.81 0.15 0.16 -0.77 0.00 -1.13 -4.94 105.19 97.85 3kcv n GLY 136 Ca -0.01 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.54 3kcv n GLY 136 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kcv h GLU 137 N 0.00 0.00 0.00 1.61 4.57 -1.82 -3.22 114.58 115.73 3kcv h GLU 137 Ca -0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3kcv h GLU 137 Cb 1.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3kcv h GLU 137 CO 0.20 0.00 0.00 2.48 -1.18 0.00 0.00 179.01 180.51 3kcv n TYR 138 N -2.72 0.67 1.23 0.92 4.11 -1.26 -0.28 117.16 119.83 3kcv n TYR 138 Ca 0.04 0.35 0.13 0.00 -0.00 0.00 0.00 57.90 58.42 3kcv n TYR 138 Cb 0.49 -1.06 0.37 0.00 -0.00 0.00 0.00 39.34 39.14 3kcv n TYR 138 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 3kcv n MET 139 N -2.19 0.80 -1.74 -3.48 2.81 -1.22 -1.11 117.12 110.99 3kcv n MET 139 Ca -0.01 -0.47 -0.38 0.00 -1.81 0.00 0.00 57.70 55.02 3kcv n MET 139 Cb 0.04 -1.49 0.04 0.00 -0.71 0.00 0.00 33.22 31.10 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 -0.69 3.87 -3.04 2.03 -1.04 0.62 -1.55 114.28 114.48 3kcv n THR 140 Ca 0.12 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.05 61.43 3kcv n THR 140 Cb 0.35 -1.65 0.04 0.00 -1.82 0.00 0.00 70.33 67.25 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 -1.07 -0.90 -3.54 2.41 0.00 -1.26 -1.87 120.51 114.28 3kcv n ALA 141 Ca 0.11 0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.62 3kcv n ALA 141 Cb 0.45 -3.75 0.08 0.00 0.00 0.00 0.00 19.45 16.23 3kcv n ALA 141 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kcv n ASN 142 N -1.97 -3.48 0.00 0.00 4.13 -0.89 -2.00 115.26 111.05 3kcv n ASN 142 Ca -0.07 -0.62 0.00 0.00 1.68 0.00 0.00 54.58 55.57 3kcv n ASN 142 Cb 0.59 -4.93 0.00 0.00 -1.54 0.00 0.00 39.78 33.90 3kcv n ASN 142 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kcv n GLY 143 N -1.48 3.01 0.22 7.41 0.00 -0.59 -4.50 105.19 109.25 3kcv n GLY 143 Ca -0.18 0.00 0.10 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 1.93 0.00 0.12 1.61 1.08 -1.37 0.29 115.11 118.78 3kcv h GLN 144 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3kcv h GLN 144 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3kcv h GLN 144 CO 0.00 0.20 -0.06 2.35 -0.95 0.00 0.00 178.83 180.37 3kcv h TRP 145 N 0.00 -0.15 -0.08 2.96 7.01 -1.58 0.89 115.95 125.00 3kcv h TRP 145 Ca -0.00 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.94 3kcv h TRP 145 Cb 0.84 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 3kcv h TRP 145 CO 0.00 0.21 -0.20 0.78 -2.79 0.00 0.00 178.44 176.44 3kcv h GLY 146 N -0.56 0.14 0.92 2.65 0.00 -0.88 -1.90 103.07 103.44 3kcv h GLY 146 Ca -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3kcv h GLY 146 CO 0.03 0.08 0.08 -2.00 0.00 0.00 0.00 176.54 174.73 3kcv h LEU 147 N 0.12 0.20 -0.41 3.11 5.85 -0.83 -1.32 115.31 122.03 3kcv h LEU 147 Ca 0.02 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.71 3kcv h LEU 147 Cb 0.44 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 3kcv h LEU 147 CO 0.03 0.25 -0.04 -1.13 -0.34 0.00 0.00 178.44 177.22 3kcv h ASN 148 N 0.14 -0.25 -0.40 1.25 -0.73 -0.12 -0.01 115.58 115.45 3kcv h ASN 148 Ca 0.05 0.11 0.07 0.00 1.87 0.00 0.00 56.30 58.40 3kcv h ASN 148 Cb 0.10 0.20 -0.06 0.00 0.27 0.00 0.00 38.32 38.84 3kcv h ASN 148 CO -0.01 -0.08 0.06 0.58 -0.37 0.00 0.00 177.43 177.61 3kcv h VAL 149 N 0.06 0.77 -0.40 2.57 2.07 -1.18 -0.94 116.25 119.20 3kcv h VAL 149 Ca 0.20 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.67 3kcv h VAL 149 Cb 0.30 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3kcv h VAL 149 CO -0.37 0.03 0.24 -0.07 0.02 0.00 0.00 177.57 177.42 3kcv h LEU 150 N 0.18 0.39 -0.46 2.57 3.38 -0.47 0.86 115.31 121.76 3kcv h LEU 150 Ca 0.20 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3kcv h LEU 150 Cb 0.25 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kcv h LEU 150 CO -0.28 0.28 -0.20 1.56 0.09 0.00 0.00 178.44 179.89 3kcv h GLN 151 N 0.49 0.95 0.04 1.13 4.20 -0.71 -0.55 115.11 120.66 3kcv h GLN 151 Ca 0.16 -0.41 -0.22 0.00 0.06 0.00 0.00 58.65 58.23 3kcv h GLN 151 Cb -0.01 -0.03 0.02 0.00 0.30 0.00 0.00 27.48 27.76 3kcv h GLN 151 CO -0.07 1.07 -0.90 1.15 -0.67 0.00 0.00 178.83 179.42 3kcv h THR 152 N 0.80 1.36 -0.50 -0.54 2.02 -1.08 -1.76 112.91 113.20 3kcv h THR 152 Ca 0.11 -2.26 0.08 0.00 0.77 0.00 0.00 66.41 65.11 3kcv h THR 152 Cb 0.78 2.61 -0.06 0.00 -1.74 0.00 0.00 68.15 69.74 3kcv h THR 152 CO 0.06 0.67 0.14 0.00 0.37 0.00 0.00 175.52 176.77 3kcv h ALA 153 N 0.31 0.59 -0.18 6.16 0.00 -0.77 -2.46 119.26 122.91 3kcv h ALA 153 Ca -0.12 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 3kcv h ALA 153 Cb 1.59 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 3kcv h ALA 153 CO 0.17 -0.26 -0.60 0.22 0.00 0.00 0.00 179.25 178.78 3kcv h ASP 154 N 0.30 0.68 -0.95 0.00 3.58 -1.06 -3.08 116.42 115.89 3kcv h ASP 154 Ca 0.25 -0.39 0.04 0.00 0.42 0.00 0.00 57.03 57.35 3kcv h ASP 154 Cb 0.30 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.09 3kcv h ASP 154 CO -0.28 1.13 0.62 -0.74 -2.88 0.00 0.00 179.24 177.08 3kcv h HIS 155 N 0.45 1.16 0.00 0.28 2.76 -1.07 -2.68 115.15 116.06 3kcv h HIS 155 Ca -0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3kcv h HIS 155 Cb 1.17 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.75 3kcv h HIS 155 CO 0.05 0.65 0.00 0.87 -1.30 0.00 0.00 177.93 178.21 3kcv h LYS 156 N 1.19 0.00 -0.62 5.26 1.57 -1.35 -2.29 116.57 120.33 3kcv h LYS 156 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3kcv h LYS 156 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3kcv h LYS 156 CO -0.13 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.08 3kcv n VAL 157 N -2.74 1.37 -1.61 0.50 0.24 -1.01 -4.51 118.33 110.57 3kcv n VAL 157 Ca -0.02 -1.12 -0.31 0.00 -2.04 0.00 0.00 64.34 60.86 3kcv n VAL 157 Cb 0.08 0.33 0.06 0.00 -1.47 0.00 0.00 33.84 32.84 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 1.16 3.04 -4.70 6.34 8.25 -0.86 -4.88 115.22 123.57 3kcv n HIS 158 Ca 0.23 -2.71 -0.33 0.00 -0.26 0.00 0.00 57.72 54.64 3kcv n HIS 158 Cb 0.70 -1.01 -0.12 0.00 1.12 0.00 0.00 29.99 30.68 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 -3.74 2.87 0.31 4.41 4.02 -1.26 -5.10 115.29 116.80 3kcv s HIS 159 Ca 0.59 -0.07 -0.29 0.00 1.02 0.00 0.00 55.06 56.31 3kcv s HIS 159 Cb 0.47 -1.70 -0.10 0.00 -1.02 0.00 0.00 32.58 30.23 3kcv s HIS 159 CO 0.01 0.25 1.26 0.95 1.02 0.00 0.00 174.74 178.23 3kcv s THR 160 N -0.68 2.93 0.29 1.30 -4.23 -1.26 -4.75 115.64 109.24 3kcv s THR 160 Ca 0.10 0.93 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 3kcv s THR 160 Cb -0.11 -3.59 0.38 0.00 1.34 0.00 0.00 72.50 70.52 3kcv s THR 160 CO 0.01 0.22 1.59 0.15 -0.54 0.00 0.00 174.62 176.05 3kcv h PHE 161 N 3.59 -0.02 0.07 3.99 3.57 -1.99 0.29 116.94 126.44 3kcv h PHE 161 Ca -0.48 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3kcv h PHE 161 Cb 1.22 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 40.12 3kcv h PHE 161 CO 0.57 -0.38 -0.05 0.82 -2.23 0.00 0.00 178.31 177.03 3kcv h ILE 162 N 0.04 0.88 -0.02 1.41 2.04 -1.99 -1.42 117.51 118.45 3kcv h ILE 162 Ca 0.56 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.45 3kcv h ILE 162 Cb 1.12 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 3kcv h ILE 162 CO -0.86 0.00 -0.21 -0.33 0.00 0.00 0.00 178.15 176.76 3kcv h GLU 163 N -0.13 -0.31 -0.43 2.37 5.08 -0.86 -0.49 114.58 119.81 3kcv h GLU 163 Ca -0.00 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 3kcv h GLU 163 Cb 0.12 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3kcv h GLU 163 CO -0.01 -0.21 0.30 0.00 -1.00 0.00 0.00 179.01 178.09 3kcv h ALA 164 N 0.58 2.06 -0.08 3.43 0.00 -0.90 0.70 119.26 125.06 3kcv h ALA 164 Ca 0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3kcv h ALA 164 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kcv h ALA 164 CO -0.20 -0.16 -0.23 0.28 0.00 0.00 0.00 179.25 178.94 3kcv h VAL 165 N 0.27 1.42 0.00 0.00 2.07 -0.48 -1.22 116.25 118.30 3kcv h VAL 165 Ca 0.20 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 3kcv h VAL 165 Cb 0.44 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3kcv h VAL 165 CO -0.04 0.46 -0.01 0.00 0.02 0.00 0.00 177.57 177.99 3kcv h LEU 167 N 0.00 0.07 -0.62 0.00 3.38 -0.77 -1.33 115.31 116.04 3kcv h LEU 167 Ca -0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3kcv h LEU 167 Cb 0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3kcv h LEU 167 CO 0.00 1.06 0.22 1.23 0.09 0.00 0.00 178.44 181.04 3kcv h GLY 168 N 2.79 1.02 0.96 0.83 0.00 -0.14 -0.95 103.07 107.59 3kcv h GLY 168 Ca -0.05 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 3kcv h GLY 168 CO 0.14 0.55 -0.16 -2.22 0.00 0.00 0.00 176.54 174.85 3kcv h ILE 169 N 0.88 0.68 -0.26 2.60 2.04 -0.39 -2.29 117.51 120.77 3kcv h ILE 169 Ca 0.20 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 3kcv h ILE 169 Cb 0.26 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3kcv h ILE 169 CO -0.01 0.02 0.05 -0.07 0.00 0.00 0.00 178.15 178.14 3kcv h LEU 170 N -0.50 0.40 0.02 1.44 3.38 -1.23 -1.33 115.31 117.49 3kcv h LEU 170 Ca -0.05 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3kcv h LEU 170 Cb 0.37 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3kcv h LEU 170 CO 0.08 0.54 -0.50 0.00 0.09 0.00 0.00 178.44 178.65 3kcv h ALA 171 N 0.88 -0.93 -0.30 1.53 0.00 -1.26 -2.72 119.26 116.45 3kcv h ALA 171 Ca 0.08 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3kcv h ALA 171 Cb 0.30 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3kcv h ALA 171 CO 0.00 -1.07 -0.09 -0.97 0.00 0.00 0.00 179.25 177.13 3kcv h ASN 172 N -0.64 0.47 -0.44 0.00 -1.24 -1.34 -1.70 115.58 110.69 3kcv h ASN 172 Ca 0.01 -0.11 0.08 0.00 0.71 0.00 0.00 56.30 56.98 3kcv h ASN 172 Cb 0.67 -0.12 -0.07 0.00 0.73 0.00 0.00 38.32 39.53 3kcv h ASN 172 CO -0.32 0.60 0.05 -0.07 -1.29 0.00 0.00 177.43 176.40 3kcv h LEU 173 N 0.46 -0.08 -0.40 0.34 3.38 -1.12 -1.49 115.31 116.40 3kcv h LEU 173 Ca 0.09 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3kcv h LEU 173 Cb 0.43 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3kcv h LEU 173 CO 0.02 -0.01 -0.07 0.24 0.09 0.00 0.00 178.44 178.71 3kcv h MET 174 N 0.16 0.75 -0.70 1.13 2.86 -1.02 -1.47 114.93 116.65 3kcv h MET 174 Ca 0.22 -0.28 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3kcv h MET 174 Cb 0.29 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 3kcv h MET 174 CO -0.32 0.88 0.45 0.28 1.06 0.00 0.00 176.91 179.26 3kcv h VAL 175 N 0.57 1.14 -0.16 -2.22 2.07 -1.22 -0.01 116.25 116.41 3kcv h VAL 175 Ca 0.10 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3kcv h VAL 175 Cb 0.58 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3kcv h VAL 175 CO 0.03 0.17 0.05 0.00 0.02 0.00 0.00 177.57 177.84 3kcv h LEU 177 N 0.08 0.71 0.03 0.00 3.38 -1.16 0.17 115.31 118.51 3kcv h LEU 177 Ca 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3kcv h LEU 177 Cb 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3kcv h LEU 177 CO -0.00 0.68 -0.10 0.00 0.09 0.00 0.00 178.44 179.11 3kcv h ALA 178 N 1.42 -0.65 -0.71 1.53 0.00 -0.44 -0.52 119.26 119.90 3kcv h ALA 178 Ca 0.18 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3kcv h ALA 178 Cb 0.22 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3kcv h ALA 178 CO -0.01 -0.67 0.47 0.28 0.00 0.00 0.00 179.25 179.31 3kcv h VAL 179 N -0.15 0.96 0.57 0.00 2.07 -1.08 -0.93 116.25 117.69 3kcv h VAL 179 Ca -0.00 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3kcv h VAL 179 Cb 0.15 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3kcv h VAL 179 CO -0.05 0.12 -0.27 -0.25 0.02 0.00 0.00 177.57 177.13 3kcv h TRP 180 N 0.64 -0.71 -0.99 1.57 2.91 -0.33 -2.27 115.95 116.77 3kcv h TRP 180 Ca 0.32 -0.02 0.26 0.00 1.13 0.00 0.00 58.89 60.58 3kcv h TRP 180 Cb 0.41 0.24 -0.06 0.00 -0.51 0.00 0.00 29.16 29.24 3kcv h TRP 180 CO -0.00 -0.44 0.68 0.52 -1.03 0.00 0.00 178.44 178.16 3kcv h MET 181 N -0.79 0.20 -0.41 2.65 2.86 -0.80 0.13 114.93 118.78 3kcv h MET 181 Ca -0.08 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.67 3kcv h MET 181 Cb 0.59 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3kcv h MET 181 CO 0.13 0.13 0.33 1.03 1.06 0.00 0.00 176.91 179.59 3kcv h SER 182 N 0.21 0.00 -0.57 1.22 0.87 -0.57 -2.73 113.55 111.98 3kcv h SER 182 Ca 0.51 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.53 3kcv h SER 182 Cb 1.62 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.49 3kcv h SER 182 CO -0.13 0.00 1.65 -1.22 -0.53 0.00 0.00 176.83 176.60 3kcv n TYR 183 N -4.16 1.70 -1.93 2.24 0.53 0.45 -3.54 117.16 112.46 3kcv n TYR 183 Ca 0.07 -2.37 0.00 0.00 -1.02 0.00 0.00 57.90 54.58 3kcv n TYR 183 Cb 0.52 -1.84 0.00 0.00 -1.03 0.00 0.00 39.34 36.99 3kcv n TYR 183 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 3kcv n SER 184 N 2.18 0.00 -4.53 7.72 7.64 -1.03 -5.09 113.62 120.51 3kcv n SER 184 Ca 0.59 -1.48 -0.43 0.00 1.01 0.00 0.00 58.87 58.56 3kcv n SER 184 Cb 0.47 -0.10 -0.04 0.00 -1.01 0.00 0.00 64.21 63.54 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 -0.48 1.31 0.00 0.23 0.00 -1.23 -4.90 107.32 102.25 3kcv s GLY 185 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.47 3kcv s GLY 185 CO 0.00 2.19 0.46 0.54 0.00 0.00 0.00 173.10 176.29 3kcv n ARG 186 N 7.84 0.00 -1.41 2.90 5.12 -1.26 -4.73 116.66 125.13 3kcv n ARG 186 Ca 0.02 0.26 -0.29 0.00 -1.93 0.00 0.00 57.85 55.91 3kcv n ARG 186 Cb 0.48 -0.96 0.14 0.00 -1.16 0.00 0.00 32.46 30.95 3kcv n ARG 186 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3kcv s SER 187 N -2.56 3.49 0.24 0.55 0.01 -1.26 -4.86 113.70 109.30 3kcv s SER 187 Ca 0.00 1.16 -0.04 0.00 1.31 0.00 0.00 55.95 58.38 3kcv s SER 187 Cb 0.00 -1.81 0.26 0.00 0.21 0.00 0.00 66.02 64.69 3kcv s SER 187 CO 0.00 -2.58 1.72 0.25 0.41 0.00 0.00 173.24 173.03 3kcv h LEU 188 N -1.52 0.81 -0.99 2.44 5.85 -1.99 -2.30 115.31 117.61 3kcv h LEU 188 Ca -0.51 -0.22 0.12 0.00 0.84 0.00 0.00 57.88 58.11 3kcv h LEU 188 Cb 1.31 -0.22 -0.14 0.00 0.37 0.00 0.00 40.66 41.99 3kcv h LEU 188 CO 0.59 0.90 -0.50 0.80 -0.34 0.00 0.00 178.44 179.89 3kcv n MET 189 N -4.19 -0.35 0.08 1.25 1.56 -1.26 -1.36 117.12 112.85 3kcv n MET 189 Ca 0.02 1.51 -0.13 0.00 -0.27 0.00 0.00 57.70 58.84 3kcv n MET 189 Cb 0.33 -2.23 -0.09 0.00 2.15 0.00 0.00 33.22 33.38 3kcv n MET 189 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 3kcv h ASP 190 N 0.00 -0.18 -0.76 6.12 5.19 -1.84 -1.64 116.42 123.30 3kcv h ASP 190 Ca 0.24 -0.30 0.17 0.00 -0.62 0.00 0.00 57.03 56.52 3kcv h ASP 190 Cb 0.49 0.05 -0.11 0.00 0.18 0.00 0.00 39.33 39.93 3kcv h ASP 190 CO -0.96 0.23 0.20 0.11 -3.12 0.00 0.00 179.24 175.70 3kcv h LYS 191 N -0.63 0.27 0.00 3.56 1.57 -1.17 -3.22 116.57 116.94 3kcv h LYS 191 Ca -0.02 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.51 3kcv h LYS 191 Cb 0.47 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 3kcv h LYS 191 CO 0.04 0.18 -1.50 0.00 -0.57 0.00 0.00 179.45 177.59 3kcv n ALA 192 N -2.66 0.87 0.75 3.86 0.00 -0.46 -4.43 120.51 118.43 3kcv n ALA 192 Ca 0.15 -0.71 0.02 0.00 0.00 0.00 0.00 53.44 52.91 3kcv n ALA 192 Cb 0.49 -0.17 0.15 0.00 0.00 0.00 0.00 19.45 19.91 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 -4.41 0.00 -0.03 0.00 0.99 -0.62 -1.83 117.46 111.56 3kcv n PHE 193 Ca -0.33 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.20 3kcv n PHE 193 Cb 0.65 0.00 -0.17 0.00 -1.00 0.00 0.00 39.48 38.97 3kcv n PHE 193 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.76 178.27 3kcv n ILE 194 N -0.71 0.24 0.38 4.37 0.13 -1.22 -4.23 119.36 118.32 3kcv n ILE 194 Ca 0.04 -0.55 0.12 0.00 -1.10 0.00 0.00 62.75 61.26 3kcv n ILE 194 Cb 0.02 -0.07 0.20 0.00 -0.84 0.00 0.00 39.64 38.94 3kcv n ILE 194 CO 0.00 0.00 0.00 0.24 2.80 0.00 0.00 176.55 179.59 3kcv h MET 195 N 0.00 0.00 0.00 9.51 2.86 -1.59 -3.39 114.93 122.32 3kcv h MET 195 Ca -0.09 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3kcv h MET 195 Cb 1.20 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.83 3kcv h MET 195 CO 0.01 0.00 -0.28 0.28 1.06 0.00 0.00 176.91 177.97 3kcv h VAL 196 N 0.00 0.00 -0.15 -2.22 2.07 -1.73 -1.80 116.25 112.42 3kcv h VAL 196 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3kcv h VAL 196 Cb 0.87 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 3kcv h VAL 196 CO 0.00 0.00 -0.22 -0.07 0.02 0.00 0.00 177.57 177.30 3kcv h LEU 197 N -0.36 -0.69 -0.43 2.57 4.07 -1.85 0.44 115.31 119.05 3kcv h LEU 197 Ca 0.01 0.12 0.06 0.00 0.08 0.00 0.00 57.88 58.14 3kcv h LEU 197 Cb 0.38 0.31 -0.05 0.00 1.08 0.00 0.00 40.66 42.38 3kcv h LEU 197 CO -0.19 -0.27 0.13 -0.65 -1.08 0.00 0.00 178.44 176.38 3kcv h PRO 198 N -0.27 0.27 -0.29 1.13 0.11 -1.76 -0.91 132.00 130.27 3kcv h PRO 198 Ca 0.11 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.03 3kcv h PRO 198 Cb 0.43 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 3kcv h PRO 198 CO -0.31 0.18 -0.46 -0.24 -0.21 0.00 0.00 178.00 176.96 3kcv h VAL 199 N 0.28 1.28 -0.91 3.15 3.04 -1.13 -2.79 116.25 119.17 3kcv h VAL 199 Ca 0.21 -1.65 0.04 0.00 -1.01 0.00 0.00 66.70 64.29 3kcv h VAL 199 Cb 0.22 1.61 -0.05 0.00 -2.01 0.00 0.00 31.29 31.06 3kcv h VAL 199 CO -0.23 0.54 0.60 0.00 -1.01 0.00 0.00 177.57 177.46 3kcv h ALA 200 N 0.69 1.43 -0.41 3.17 0.00 -0.59 -1.41 119.26 122.14 3kcv h ALA 200 Ca 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3kcv h ALA 200 Cb 1.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3kcv h ALA 200 CO 0.11 0.47 0.02 1.98 0.00 0.00 0.00 179.25 181.83 3kcv h MET 201 N 1.13 0.72 -0.51 0.00 -1.53 -1.09 0.17 114.93 113.81 3kcv h MET 201 Ca 0.36 -0.22 -0.11 0.00 -3.44 0.00 0.00 59.70 56.29 3kcv h MET 201 Cb 0.04 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.00 3kcv h MET 201 CO -0.11 0.78 -0.13 0.27 0.14 0.00 0.00 176.91 177.86 3kcv h PHE 202 N 0.55 1.09 -0.08 1.39 -5.15 -1.11 -2.36 116.94 111.28 3kcv h PHE 202 Ca 0.12 -0.23 -0.06 0.00 -0.20 0.00 0.00 57.97 57.60 3kcv h PHE 202 Cb 0.45 -0.27 0.00 0.00 0.22 0.00 0.00 35.95 36.35 3kcv h PHE 202 CO 0.03 1.03 -0.20 0.28 -2.00 0.00 0.00 178.31 177.45 3kcv h VAL 203 N 0.86 1.42 0.00 0.88 2.07 -1.21 -0.66 116.25 119.61 3kcv h VAL 203 Ca 0.13 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3kcv h VAL 203 Cb 0.68 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3kcv h VAL 203 CO 0.05 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.08 3kcv n ALA 204 N -2.46 1.40 0.91 1.67 0.00 0.60 -0.60 120.51 122.03 3kcv n ALA 204 Ca -0.08 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.47 3kcv n ALA 204 Cb 0.42 -1.17 0.09 0.00 0.00 0.00 0.00 19.45 18.78 3kcv n ALA 204 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kcv n SER 205 N -1.61 2.80 -1.09 0.00 7.64 -0.89 -4.75 113.62 115.71 3kcv n SER 205 Ca 0.02 -1.90 -0.10 0.00 1.01 0.00 0.00 58.87 57.90 3kcv n SER 205 Cb 0.11 0.01 -0.00 0.00 -1.01 0.00 0.00 64.21 63.32 3kcv n SER 205 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcv n GLY 206 N 1.23 -0.02 3.74 0.23 0.00 0.23 -5.03 105.19 105.57 3kcv n GLY 206 Ca 0.13 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.48 2.32 -0.23 1.61 0.08 -0.26 -5.00 117.98 114.02 3kcv s PHE 207 Ca 0.00 1.55 -0.06 0.00 0.12 0.00 0.00 56.93 58.53 3kcv s PHE 207 Cb 0.00 -3.12 -0.03 0.00 -0.57 0.00 0.00 43.02 39.30 3kcv s PHE 207 CO 0.00 -2.14 0.04 -1.21 -0.10 0.00 0.00 175.22 171.81 3kcv s GLU 208 N -4.85 3.67 -0.33 0.44 0.41 -0.54 -4.83 118.70 112.67 3kcv s GLU 208 Ca 0.63 -0.48 -0.00 0.00 -0.41 0.00 0.00 54.97 54.70 3kcv s GLU 208 Cb -0.19 -3.23 0.08 0.00 -1.78 0.00 0.00 34.13 29.02 3kcv s GLU 208 CO 0.57 -0.08 0.05 -1.58 -0.49 0.00 0.00 175.26 173.73 3kcv s HIS 209 N 1.28 3.45 0.29 1.61 2.46 -1.26 -3.90 115.29 119.22 3kcv s HIS 209 Ca 0.04 -2.29 0.06 0.00 0.47 0.00 0.00 55.06 53.34 3kcv s HIS 209 Cb -0.15 -2.54 0.80 0.00 -0.13 0.00 0.00 32.58 30.56 3kcv s HIS 209 CO 0.03 -0.89 1.39 -1.13 -2.47 0.00 0.00 174.74 171.67 3kcv n SER 210 N 4.52 -0.01 0.01 9.88 3.41 -1.26 0.02 113.62 130.19 3kcv n SER 210 Ca -0.07 1.49 -0.19 0.00 -0.26 0.00 0.00 58.87 59.85 3kcv n SER 210 Cb 0.42 -0.59 -0.09 0.00 -0.26 0.00 0.00 64.21 63.70 3kcv n SER 210 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3kcv h ILE 211 N 0.00 1.28 -0.20 -1.33 1.08 -1.96 -2.04 117.51 114.35 3kcv h ILE 211 Ca 0.59 -2.09 0.03 0.00 -0.39 0.00 0.00 64.86 62.99 3kcv h ILE 211 Cb 1.31 2.17 -0.03 0.00 -3.07 0.00 0.00 36.82 37.21 3kcv h ILE 211 CO -0.80 0.66 0.04 0.00 -0.69 0.00 0.00 178.15 177.36 3kcv h ALA 212 N 0.48 0.20 -0.43 1.87 0.00 -0.76 -2.21 119.26 118.41 3kcv h ALA 212 Ca -0.09 0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3kcv h ALA 212 Cb 1.54 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 3kcv h ALA 212 CO 0.18 -0.39 0.29 -0.91 0.00 0.00 0.00 179.25 178.42 3kcv h ASN 213 N 0.11 0.22 -0.12 0.00 2.35 -1.18 0.17 115.58 117.14 3kcv h ASN 213 Ca 0.09 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3kcv h ASN 213 Cb 0.09 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 3kcv h ASN 213 CO -0.13 0.14 0.23 0.24 -1.65 0.00 0.00 177.43 176.27 3kcv h MET 214 N 0.25 0.00 0.00 0.81 2.86 -0.71 -1.79 114.93 116.35 3kcv h MET 214 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3kcv h MET 214 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3kcv h MET 214 CO -0.04 0.00 -0.51 0.34 1.06 0.00 0.00 176.91 177.76 3kcv n PHE 215 N -3.39 0.86 -0.33 -0.22 7.35 0.53 -4.39 117.46 117.88 3kcv n PHE 215 Ca 0.00 0.37 0.05 0.00 -0.76 0.00 0.00 57.45 57.11 3kcv n PHE 215 Cb 0.33 -0.74 0.23 0.00 0.35 0.00 0.00 39.48 39.65 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 -0.96 1.01 0.11 -4.13 4.05 -1.02 -0.24 114.93 113.76 3kcv h MET 216 Ca 0.00 -0.06 -0.19 0.00 -0.28 0.00 0.00 59.70 59.16 3kcv h MET 216 Cb 0.51 -0.23 0.01 0.00 -0.80 0.00 0.00 31.60 31.09 3kcv h MET 216 CO 0.00 0.67 -0.92 0.82 0.23 0.00 0.00 176.91 177.71 3kcv h ILE 217 N 1.04 1.38 -0.27 1.77 2.04 -1.62 -1.42 117.51 120.44 3kcv h ILE 217 Ca 0.42 -2.47 0.05 0.00 1.00 0.00 0.00 64.86 63.86 3kcv h ILE 217 Cb 0.27 3.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.38 3kcv h ILE 217 CO -0.17 0.69 0.19 -0.65 0.00 0.00 0.00 178.15 178.20 3kcv h PRO 218 N -0.44 0.15 -0.27 2.37 0.11 -1.69 -0.41 132.00 131.81 3kcv h PRO 218 Ca -0.18 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.86 3kcv h PRO 218 Cb 1.60 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.67 3kcv h PRO 218 CO 0.10 0.10 -0.06 1.98 -0.21 0.00 0.00 178.00 179.90 3kcv h MET 219 N 0.16 0.52 -0.86 1.05 4.05 -0.95 -0.57 114.93 118.33 3kcv h MET 219 Ca 0.12 -0.20 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 3kcv h MET 219 Cb 0.28 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.01 3kcv h MET 219 CO -0.02 0.73 0.45 0.78 0.23 0.00 0.00 176.91 179.09 3kcv h GLY 220 N 0.28 1.30 0.96 1.39 0.00 -0.62 -2.10 103.07 104.28 3kcv h GLY 220 Ca 0.07 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 3kcv h GLY 220 CO 0.03 0.58 0.20 -2.22 0.00 0.00 0.00 176.54 175.13 3kcv h ILE 221 N 1.21 1.19 -0.25 2.60 2.04 -0.93 -0.06 117.51 123.32 3kcv h ILE 221 Ca 0.30 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.60 3kcv h ILE 221 Cb 0.06 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3kcv h ILE 221 CO -0.05 0.22 0.13 0.58 0.00 0.00 0.00 178.15 179.04 3kcv h VAL 222 N 0.60 1.01 -0.02 1.67 2.07 -0.86 0.84 116.25 121.56 3kcv h VAL 222 Ca 0.16 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 3kcv h VAL 222 Cb 0.15 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3kcv h VAL 222 CO -0.02 0.05 0.01 0.40 0.02 0.00 0.00 177.57 178.04 3kcv h ILE 223 N 0.28 1.08 -0.55 4.57 2.04 -1.25 -0.10 117.51 123.58 3kcv h ILE 223 Ca 0.10 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3kcv h ILE 223 Cb 0.01 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3kcv h ILE 223 CO -0.06 0.06 0.36 -0.09 0.00 0.00 0.00 178.15 178.42 3kcv h ARG 224 N -0.05 0.71 -0.03 2.37 2.43 -0.81 0.39 114.38 119.39 3kcv h ARG 224 Ca 0.01 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 3kcv h ARG 224 Cb 0.09 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3kcv h ARG 224 CO -0.00 0.47 -0.61 -0.44 -1.51 0.00 0.00 179.97 177.88 3kcv h ASP 225 N 0.73 0.11 -0.00 -3.80 5.19 -0.73 -3.37 116.42 114.54 3kcv h ASP 225 Ca 0.21 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3kcv h ASP 225 Cb -0.05 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.42 3kcv h ASP 225 CO -0.06 0.68 -0.10 0.49 -3.12 0.00 0.00 179.24 177.14 3kcv n PHE 226 N -3.84 0.00 -1.94 4.55 3.72 -0.06 -5.04 117.46 114.85 3kcv n PHE 226 Ca -0.02 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.00 3kcv n PHE 226 Cb 0.61 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.17 3kcv n PHE 226 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kcv s ALA 227 N -1.08 3.00 0.85 4.37 0.00 0.11 -5.01 121.76 124.00 3kcv s ALA 227 Ca 0.01 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 53.10 3kcv s ALA 227 Cb 0.02 -3.52 0.10 0.00 0.00 0.00 0.00 23.12 19.73 3kcv s ALA 227 CO 0.09 -1.09 1.16 -1.54 0.00 0.00 0.00 175.76 174.38 3kcv s SER 228 N -0.94 4.10 0.05 0.00 1.04 -1.26 -4.96 113.70 111.74 3kcv s SER 228 Ca 0.66 0.88 -0.11 0.00 0.48 0.00 0.00 55.95 57.85 3kcv s SER 228 Cb -0.38 -1.41 -0.04 0.00 0.10 0.00 0.00 66.02 64.29 3kcv s SER 228 CO 0.46 -2.17 1.19 -0.65 0.98 0.00 0.00 173.24 173.06 3kcv h PRO 229 N -1.24 -0.10 -0.78 4.02 0.11 -2.01 -2.90 132.00 129.11 3kcv h PRO 229 Ca -0.48 0.01 0.30 0.00 0.11 0.00 0.00 66.00 65.94 3kcv h PRO 229 Cb 1.33 0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.32 3kcv h PRO 229 CO 0.64 -0.07 0.34 0.39 -0.21 0.00 0.00 178.00 179.10 3kcv n GLU 230 N -3.68 -0.05 0.35 1.05 1.02 -1.26 -0.55 120.64 117.52 3kcv n GLU 230 Ca -0.01 1.09 -0.14 0.00 -0.02 0.00 0.00 57.16 58.08 3kcv n GLU 230 Cb 0.11 -1.91 -0.07 0.00 -0.02 0.00 0.00 31.44 29.55 3kcv n GLU 230 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3kcv h PHE 231 N 0.00 -0.84 -0.87 -0.32 3.57 -1.89 0.29 116.94 116.87 3kcv h PHE 231 Ca 0.62 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 62.27 3kcv h PHE 231 Cb 1.60 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 40.55 3kcv h PHE 231 CO -0.08 -0.52 0.57 -1.49 -2.23 0.00 0.00 178.31 174.55 3kcv h TRP 232 N -1.05 0.68 0.07 0.41 -0.00 -0.83 0.20 115.95 115.43 3kcv h TRP 232 Ca -0.09 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.81 3kcv h TRP 232 Cb 0.70 -0.21 0.00 0.00 -0.00 0.00 0.00 29.16 29.64 3kcv h TRP 232 CO 0.04 0.23 -0.03 1.15 -0.00 0.00 0.00 178.44 179.82 3kcv h THR 233 N 0.55 1.06 0.00 1.49 2.02 -1.18 -1.12 112.91 115.73 3kcv h THR 233 Ca 0.44 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 3kcv h THR 233 Cb 0.88 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 3kcv h THR 233 CO -0.19 0.11 -0.26 0.00 0.37 0.00 0.00 175.52 175.54 3kcv h ALA 234 N 0.64 0.99 0.00 6.16 0.00 0.10 -3.11 119.26 124.04 3kcv h ALA 234 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kcv h ALA 234 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kcv h ALA 234 CO 0.02 0.33 -1.80 1.33 0.00 0.00 0.00 179.25 179.13 3kcv n VAL 235 N -3.39 0.05 -2.02 0.00 0.24 -0.47 -4.87 118.33 107.87 3kcv n VAL 235 Ca 0.00 -0.45 -0.02 0.00 -2.04 0.00 0.00 64.34 61.83 3kcv n VAL 235 Cb 0.47 0.08 0.01 0.00 -1.47 0.00 0.00 33.84 32.92 3kcv n VAL 235 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kcv n GLY 236 N 1.28 -0.20 3.84 7.63 0.00 -0.58 -5.06 105.19 112.09 3kcv n GLY 236 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 3kcv n GLY 236 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kcv s SER 237 N -2.69 -0.03 0.09 1.61 0.15 -0.53 -5.06 113.70 107.25 3kcv s SER 237 Ca 0.07 -0.36 -0.16 0.00 0.70 0.00 0.00 55.95 56.20 3kcv s SER 237 Cb -0.01 0.30 0.03 0.00 -1.71 0.00 0.00 66.02 64.63 3kcv s SER 237 CO 0.23 -0.58 0.38 0.00 1.20 0.00 0.00 173.24 174.47 3kcv s ALA 238 N -2.31 -0.87 0.33 5.45 0.00 -1.26 -4.44 121.76 118.66 3kcv s ALA 238 Ca 0.21 -0.00 0.08 0.00 0.00 0.00 0.00 51.96 52.25 3kcv s ALA 238 Cb 0.00 0.56 0.79 0.00 0.00 0.00 0.00 23.12 24.47 3kcv s ALA 238 CO 0.01 -0.57 1.81 -1.35 0.00 0.00 0.00 175.76 175.66 3kcv h PRO 239 N 2.63 0.70 0.00 0.00 0.11 -1.97 0.33 132.00 133.79 3kcv h PRO 239 Ca -0.33 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 3kcv h PRO 239 Cb 1.23 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kcv h PRO 239 CO 0.47 0.47 -0.01 0.93 -0.21 0.00 0.00 178.00 179.65 3kcv h GLU 240 N 0.72 0.00 0.00 1.05 3.07 -1.97 -0.81 114.58 116.64 3kcv h GLU 240 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 3kcv h GLU 240 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 3kcv h GLU 240 CO -0.31 0.01 0.00 0.09 -1.40 0.00 0.00 179.01 177.40 3kcv n ASN 241 N -3.49 0.35 -2.63 1.42 4.13 0.10 -3.23 115.26 111.92 3kcv n ASN 241 Ca -0.03 0.60 -0.12 0.00 1.68 0.00 0.00 54.58 56.71 3kcv n ASN 241 Cb 0.09 -0.67 0.03 0.00 -1.54 0.00 0.00 39.78 37.68 3kcv n ASN 241 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3kcv n PHE 242 N -1.90 1.64 0.91 3.10 3.72 -0.31 -4.91 117.46 119.70 3kcv n PHE 242 Ca 0.02 -2.78 0.08 0.00 -0.05 0.00 0.00 57.45 54.72 3kcv n PHE 242 Cb 0.16 -0.31 0.45 0.00 -0.94 0.00 0.00 39.48 38.84 3kcv n PHE 242 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kcv n SER 243 N -0.21 0.00 0.01 4.37 3.41 -1.20 -1.94 113.62 118.07 3kcv n SER 243 Ca 0.15 -0.27 0.12 0.00 -0.26 0.00 0.00 58.87 58.62 3kcv n SER 243 Cb 0.79 -0.12 0.31 0.00 -0.26 0.00 0.00 64.21 64.92 3kcv n SER 243 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kcv n HIS 244 N -1.12 0.11 -1.66 7.33 8.25 -1.26 -4.55 115.22 122.32 3kcv n HIS 244 Ca 0.10 0.03 -0.40 0.00 -0.26 0.00 0.00 57.72 57.20 3kcv n HIS 244 Cb 0.09 -0.37 -0.02 0.00 1.12 0.00 0.00 29.99 30.81 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 -1.61 8.25 -4.71 2.41 4.77 -0.82 -4.73 117.00 120.55 3kcv n LEU 245 Ca 0.05 -4.57 -0.23 0.00 -0.03 0.00 0.00 56.01 51.23 3kcv n LEU 245 Cb 0.35 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 39.90 3kcv n LEU 245 CO 0.34 1.96 -0.27 0.42 -1.33 0.00 0.00 177.39 178.51 3kcv s THR 246 N 0.87 3.85 0.21 -5.08 -4.23 -1.26 -4.56 115.64 105.45 3kcv s THR 246 Ca 0.60 -1.65 -0.10 0.00 -1.18 0.00 0.00 61.69 59.37 3kcv s THR 246 Cb 0.17 -3.05 0.15 0.00 1.34 0.00 0.00 72.50 71.12 3kcv s THR 246 CO -0.07 -0.32 1.85 0.58 -0.54 0.00 0.00 174.62 176.12 3kcv h VAL 247 N 1.84 1.11 -0.49 2.29 2.07 -1.96 -1.22 116.25 119.89 3kcv h VAL 247 Ca -0.46 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 3kcv h VAL 247 Cb 1.24 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3kcv h VAL 247 CO 0.60 0.16 -0.06 -0.03 0.02 0.00 0.00 177.57 178.27 3kcv h MET 248 N 0.90 0.87 -0.37 1.57 1.85 -1.97 -1.44 114.93 116.34 3kcv h MET 248 Ca 0.29 -0.27 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 3kcv h MET 248 Cb 0.00 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 31.94 3kcv h MET 248 CO -0.10 0.90 0.20 -0.91 -0.40 0.00 0.00 176.91 176.60 3kcv h ASN 249 N 0.79 0.47 0.13 1.39 2.35 -1.79 -0.84 115.58 118.08 3kcv h ASN 249 Ca 0.14 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3kcv h ASN 249 Cb 0.56 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 3kcv h ASN 249 CO 0.03 0.43 -0.31 0.15 -1.65 0.00 0.00 177.43 176.09 3kcv h PHE 250 N 0.47 -0.84 0.26 1.19 3.57 -0.93 0.18 116.94 120.83 3kcv h PHE 250 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3kcv h PHE 250 Cb 0.08 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3kcv h PHE 250 CO -0.02 -0.42 -0.28 0.82 -2.23 0.00 0.00 178.31 176.18 3kcv h ILE 251 N -0.54 0.40 0.08 1.41 2.04 -1.21 0.06 117.51 119.75 3kcv h ILE 251 Ca 0.03 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.62 3kcv h ILE 251 Cb 0.56 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3kcv h ILE 251 CO -0.18 0.00 -1.27 0.71 0.00 0.00 0.00 178.15 177.42 3kcv h THR 252 N -0.58 1.44 -0.01 -0.27 1.35 -1.07 -1.14 112.91 112.62 3kcv h THR 252 Ca -0.00 -3.08 0.00 0.00 -0.55 0.00 0.00 66.41 62.77 3kcv h THR 252 Cb 0.55 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 3kcv h THR 252 CO -0.08 0.88 -0.45 0.47 -0.25 0.00 0.00 175.52 176.09 3kcv n ASP 253 N -3.44 1.91 0.09 5.36 10.43 0.61 -4.63 116.55 126.89 3kcv n ASP 253 Ca -0.08 -1.46 0.00 0.00 2.57 0.00 0.00 54.79 55.82 3kcv n ASP 253 Cb 1.01 0.49 0.00 0.00 1.84 0.00 0.00 41.12 44.45 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 -0.07 0.10 -0.08 -2.24 4.05 -0.90 -4.61 115.26 111.50 3kcv n ASN 254 Ca 0.08 0.30 -0.07 0.00 0.45 0.00 0.00 54.58 55.34 3kcv n ASN 254 Cb 0.43 0.17 -0.00 0.00 1.23 0.00 0.00 39.78 41.61 3kcv n ASN 254 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 3kcv h LEU 255 N 0.00 0.09 0.61 1.20 5.85 -0.91 0.81 115.31 122.97 3kcv h LEU 255 Ca 0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3kcv h LEU 255 Cb 0.00 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3kcv h LEU 255 CO 0.00 0.09 -0.44 0.40 -0.34 0.00 0.00 178.44 178.15 3kcv h ILE 256 N 0.22 0.00 -0.28 4.05 2.04 -1.44 -0.39 117.51 121.71 3kcv h ILE 256 Ca 0.13 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.90 3kcv h ILE 256 Cb 0.11 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 3kcv h ILE 256 CO -0.14 0.00 -0.22 -0.65 0.00 0.00 0.00 178.15 177.14 3kcv h PRO 257 N -1.00 0.52 -0.15 2.37 0.11 -1.79 -1.80 132.00 130.25 3kcv h PRO 257 Ca -0.08 -0.19 -0.17 0.00 0.11 0.00 0.00 66.00 65.67 3kcv h PRO 257 Cb 0.82 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 3kcv h PRO 257 CO 0.04 0.71 -0.61 0.28 -0.21 0.00 0.00 178.00 178.21 3kcv h VAL 258 N 0.47 1.33 -0.55 3.15 2.07 -0.83 -1.02 116.25 120.87 3kcv h VAL 258 Ca 0.07 -1.90 -0.03 0.00 0.82 0.00 0.00 66.70 65.67 3kcv h VAL 258 Cb 0.64 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 3kcv h VAL 258 CO 0.05 0.58 0.24 0.74 0.02 0.00 0.00 177.57 179.20 3kcv h THR 259 N 0.39 1.21 0.02 2.57 2.02 -0.90 0.12 112.91 118.34 3kcv h THR 259 Ca -0.01 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3kcv h THR 259 Cb 1.17 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3kcv h THR 259 CO 0.11 0.25 -0.03 0.40 0.37 0.00 0.00 175.52 176.62 3kcv h ILE 260 N 0.74 0.92 -0.59 3.11 2.04 -1.17 -0.98 117.51 121.58 3kcv h ILE 260 Ca 0.18 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 3kcv h ILE 260 Cb 0.17 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3kcv h ILE 260 CO -0.02 0.00 0.34 1.23 0.00 0.00 0.00 178.15 179.71 3kcv h GLY 261 N -0.07 0.86 0.74 5.37 0.00 -1.04 -0.38 103.07 108.56 3kcv h GLY 261 Ca 0.01 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.01 3kcv h GLY 261 CO -0.02 0.34 -0.03 3.43 0.00 0.00 0.00 176.54 180.26 3kcv h ASN 262 N 0.82 -0.12 0.41 0.19 -0.26 -0.29 0.88 115.58 117.21 3kcv h ASN 262 Ca 0.21 0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.97 3kcv h ASN 262 Cb -0.01 0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 3kcv h ASN 262 CO -0.04 -0.04 -0.20 0.40 -1.06 0.00 0.00 177.43 176.49 3kcv h ILE 263 N 0.00 0.59 -0.69 2.81 2.04 -0.29 -1.13 117.51 120.83 3kcv h ILE 263 Ca 0.06 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.12 3kcv h ILE 263 Cb 0.09 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3kcv h ILE 263 CO -0.13 0.00 0.50 0.40 0.00 0.00 0.00 178.15 178.91 3kcv h ILE 264 N -0.56 0.66 0.00 -0.67 2.04 -0.95 0.50 117.51 118.53 3kcv h ILE 264 Ca -0.06 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 3kcv h ILE 264 Cb 0.43 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3kcv h ILE 264 CO 0.09 0.00 -0.35 1.23 0.00 0.00 0.00 178.15 179.13 3kcv h GLY 265 N 0.02 0.00 1.77 5.37 0.00 0.36 -0.10 103.07 110.50 3kcv h GLY 265 Ca 0.33 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.42 3kcv h GLY 265 CO -0.01 0.00 -1.15 -1.33 0.00 0.00 0.00 176.54 174.04 3kcv h GLY 266 N 1.33 0.09 1.89 4.60 0.00 0.72 -3.28 103.07 108.43 3kcv h GLY 266 Ca -0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 3kcv h GLY 266 CO 0.05 0.20 -0.55 -1.33 0.00 0.00 0.00 176.54 174.91 3kcv h GLY 267 N 2.63 0.13 0.88 4.60 0.00 -0.31 0.12 103.07 111.11 3kcv h GLY 267 Ca -0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 3kcv h GLY 267 CO 0.14 0.13 -0.02 1.41 0.00 0.00 0.00 176.54 178.20 3kcv h LEU 268 N 0.09 0.52 -0.02 3.11 3.38 -1.14 0.10 115.31 121.36 3kcv h LEU 268 Ca -0.00 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3kcv h LEU 268 Cb 1.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3kcv h LEU 268 CO 0.08 0.72 -0.06 -0.07 0.09 0.00 0.00 178.44 179.20 3kcv h LEU 269 N 0.31 0.09 -0.21 1.67 3.38 -1.59 -1.19 115.31 117.77 3kcv h LEU 269 Ca 0.08 -0.63 0.04 0.00 0.09 0.00 0.00 57.88 57.47 3kcv h LEU 269 Cb 0.47 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3kcv h LEU 269 CO 0.02 0.70 -0.07 0.58 0.09 0.00 0.00 178.44 179.76 3kcv h VAL 270 N -0.52 0.75 -0.19 1.22 2.07 -1.04 0.25 116.25 118.79 3kcv h VAL 270 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3kcv h VAL 270 Cb 0.70 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 3kcv h VAL 270 CO 0.01 0.00 -0.29 1.23 0.02 0.00 0.00 177.57 178.54 3kcv h GLY 271 N -0.02 -0.32 1.83 2.17 0.00 -0.81 0.80 103.07 106.71 3kcv h GLY 271 Ca 0.11 0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.72 3kcv h GLY 271 CO -0.23 -0.21 -0.27 -2.00 0.00 0.00 0.00 176.54 173.82 3kcv h LEU 272 N -0.33 0.20 0.10 3.11 6.46 -0.81 -2.37 115.31 121.67 3kcv h LEU 272 Ca 0.12 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 3kcv h LEU 272 Cb 0.51 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 3kcv h LEU 272 CO -0.38 0.48 -0.05 0.74 -0.62 0.00 0.00 178.44 178.61 3kcv h THR 273 N 0.18 0.94 -1.17 1.05 2.02 -0.05 -1.51 112.91 114.37 3kcv h THR 273 Ca 0.03 -1.37 0.36 0.00 0.77 0.00 0.00 66.41 66.19 3kcv h THR 273 Cb 0.58 1.66 -0.12 0.00 -1.74 0.00 0.00 68.15 68.53 3kcv h THR 273 CO 0.04 0.27 0.74 0.22 0.37 0.00 0.00 175.52 177.17 3kcv h TYR 274 N -0.90 0.63 0.00 3.16 3.20 -0.87 -0.46 116.97 121.73 3kcv h TYR 274 Ca -0.01 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.64 3kcv h TYR 274 Cb 0.55 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 3kcv h TYR 274 CO 0.11 -0.11 -1.40 -1.49 -1.64 0.00 0.00 178.16 173.63 3kcv h TRP 275 N 0.22 0.00 -0.00 -3.82 4.06 -1.43 -0.69 115.95 114.29 3kcv h TRP 275 Ca 0.73 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.68 3kcv h TRP 275 Cb 2.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.23 3kcv h TRP 275 CO -0.01 0.92 0.00 0.28 -3.56 0.00 0.00 178.44 176.07 3kcv n VAL 276 N -3.12 0.00 -0.07 1.49 0.31 -0.38 -0.67 118.33 115.90 3kcv n VAL 276 Ca -0.10 -0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.08 3kcv n VAL 276 Cb 0.97 -0.39 -0.05 0.00 -0.91 0.00 0.00 33.84 33.47 3kcv n VAL 276 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3kcv n ILE 277 N -0.89 0.98 0.00 2.52 5.41 -0.32 -4.00 119.36 123.06 3kcv n ILE 277 Ca 0.19 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.82 3kcv n ILE 277 Cb 0.09 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.24 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 -3.78 0.00 -2.72 1.39 9.36 -0.26 -2.64 117.16 118.50 3kcv n TYR 278 Ca -0.27 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 60.94 3kcv n TYR 278 Cb 0.64 -0.09 0.10 0.00 -0.63 0.00 0.00 39.34 39.35 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 -1.06 -0.33 0.00 2.98 4.77 0.16 -4.98 117.00 118.53 3kcv n LEU 279 Ca 0.00 -3.13 0.00 0.00 -0.03 0.00 0.00 56.01 52.85 3kcv n LEU 279 Cb 0.01 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3kcv n LEU 279 CO 0.00 1.46 0.00 0.54 -1.33 0.00 0.00 177.39 178.06