#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 -0.55 0.00 2.13 5.04 -1.26 -5.08 115.29 115.57 3kcv s HIS 30 Ca 0.00 1.16 -0.00 0.00 -1.54 0.00 0.00 55.06 54.68 3kcv s HIS 30 Cb 0.00 0.13 -0.00 0.00 0.04 0.00 0.00 32.58 32.75 3kcv s HIS 30 CO 0.00 -0.37 1.01 -1.35 -2.34 0.00 0.00 174.74 171.69 3kcv h PRO 31 N 7.86 -0.00 -0.40 2.88 0.11 -2.05 -0.82 132.00 139.57 3kcv h PRO 31 Ca -0.23 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.84 3kcv h PRO 31 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3kcv h PRO 31 CO 0.20 -0.00 0.10 -0.07 -0.21 0.00 0.00 178.00 178.02 3kcv h LEU 32 N -0.00 0.54 0.11 2.35 4.07 -1.99 -1.21 115.31 119.18 3kcv h LEU 32 Ca 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 3kcv h LEU 32 Cb 0.00 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.61 3kcv h LEU 32 CO -0.01 0.54 -0.05 0.50 -1.08 0.00 0.00 178.44 178.34 3kcv h LYS 33 N 0.58 -0.14 -0.99 1.13 3.64 -1.75 -1.59 116.57 117.44 3kcv h LYS 33 Ca 0.14 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3kcv h LYS 33 Cb 0.21 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 3kcv h LYS 33 CO -0.00 0.23 0.65 1.15 -2.27 0.00 0.00 179.45 179.21 3kcv h THR 34 N -0.54 1.17 -0.71 1.00 2.02 -1.11 -0.77 112.91 113.96 3kcv h THR 34 Ca -0.01 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.74 3kcv h THR 34 Cb 0.44 -0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.62 3kcv h THR 34 CO 0.02 0.23 0.47 0.15 0.37 0.00 0.00 175.52 176.77 3kcv h PHE 35 N 1.25 0.89 -0.14 3.16 3.57 -1.07 0.11 116.94 124.72 3kcv h PHE 35 Ca 0.40 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.74 3kcv h PHE 35 Cb 0.02 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.45 3kcv h PHE 35 CO -0.00 0.56 -0.64 1.88 -2.23 0.00 0.00 178.31 177.88 3kcv h TYR 36 N 0.97 0.67 -0.82 0.41 0.05 -0.72 0.28 116.97 117.80 3kcv h TYR 36 Ca 0.26 -0.27 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 3kcv h TYR 36 Cb -0.11 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.47 3kcv h TYR 36 CO -0.02 1.02 0.50 -0.07 -1.05 0.00 0.00 178.16 178.54 3kcv h LEU 37 N 0.38 0.97 0.14 3.88 3.38 -0.90 -0.49 115.31 122.67 3kcv h LEU 37 Ca -0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kcv h LEU 37 Cb 1.21 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3kcv h LEU 37 CO 0.12 0.73 -0.06 0.00 0.09 0.00 0.00 178.44 179.32 3kcv h ALA 38 N 1.43 -0.18 -0.21 1.53 0.00 -0.45 -1.05 119.26 120.34 3kcv h ALA 38 Ca 0.30 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3kcv h ALA 38 Cb -0.07 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3kcv h ALA 38 CO -0.06 -0.45 -0.48 0.82 0.00 0.00 0.00 179.25 179.08 3kcv h ILE 39 N -0.49 0.00 -0.99 0.00 2.04 -0.80 -0.52 117.51 116.75 3kcv h ILE 39 Ca -0.02 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.16 3kcv h ILE 39 Cb 0.39 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.32 3kcv h ILE 39 CO 0.03 0.00 0.51 0.74 0.00 0.00 0.00 178.15 179.43 3kcv h THR 40 N -0.45 0.26 -0.51 -0.27 2.02 -1.04 1.49 112.91 114.42 3kcv h THR 40 Ca 0.04 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 3kcv h THR 40 Cb 0.57 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3kcv h THR 40 CO -0.43 0.05 0.10 0.00 0.37 0.00 0.00 175.52 175.60 3kcv h ALA 41 N 1.86 1.22 -0.59 6.16 0.00 0.05 0.18 119.26 128.14 3kcv h ALA 41 Ca 0.72 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 3kcv h ALA 41 Cb 1.66 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 3kcv h ALA 41 CO -0.64 0.53 0.21 0.78 0.00 0.00 0.00 179.25 180.14 3kcv h GLY 42 N 0.95 0.94 1.48 0.00 0.00 0.33 0.22 103.07 106.99 3kcv h GLY 42 Ca 0.16 -0.50 -0.22 0.00 0.00 0.00 0.00 47.33 46.77 3kcv h GLY 42 CO 0.00 0.47 -0.91 -2.08 0.00 0.00 0.00 176.54 174.02 3kcv h VAL 43 N 0.86 1.37 -0.60 4.60 2.07 -0.81 -2.29 116.25 121.45 3kcv h VAL 43 Ca 0.20 -2.34 -0.08 0.00 0.82 0.00 0.00 66.70 65.29 3kcv h VAL 43 Cb 0.21 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3kcv h VAL 43 CO -0.01 0.71 0.05 -0.26 0.02 0.00 0.00 177.57 178.07 3kcv h PHE 44 N 0.28 1.11 -0.06 1.57 0.04 -0.14 -0.10 116.94 119.64 3kcv h PHE 44 Ca -0.08 -0.18 -0.14 0.00 2.80 0.00 0.00 57.97 60.38 3kcv h PHE 44 Cb 1.54 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.38 3kcv h PHE 44 CO 0.07 0.97 -0.59 0.97 -0.60 0.00 0.00 178.31 179.12 3kcv h ILE 45 N 0.93 1.39 -0.19 -0.55 6.09 -0.62 -1.86 117.51 122.71 3kcv h ILE 45 Ca 0.18 -1.97 -0.05 0.00 -1.37 0.00 0.00 64.86 61.65 3kcv h ILE 45 Cb 0.50 2.00 -0.00 0.00 0.47 0.00 0.00 36.82 39.78 3kcv h ILE 45 CO 0.02 0.58 -0.08 0.28 -3.07 0.00 0.00 178.15 175.88 3kcv h SER 46 N 0.16 0.39 -0.93 2.19 0.02 -1.20 -2.10 113.55 112.09 3kcv h SER 46 Ca -0.01 -0.40 0.11 0.00 -0.84 0.00 0.00 61.79 60.65 3kcv h SER 46 Cb 1.09 -0.11 -0.08 0.00 0.14 0.00 0.00 62.40 63.44 3kcv h SER 46 CO 0.09 0.71 0.56 0.40 -1.14 0.00 0.00 176.83 177.45 3kcv h ILE 47 N 0.08 0.92 -0.38 3.27 2.04 -1.00 0.78 117.51 123.21 3kcv h ILE 47 Ca 0.04 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.65 3kcv h ILE 47 Cb 0.56 -0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 3kcv h ILE 47 CO 0.03 0.17 0.06 0.00 0.00 0.00 0.00 178.15 178.40 3kcv h ALA 48 N 1.50 0.40 -0.23 1.87 0.00 -1.07 -1.59 119.26 120.14 3kcv h ALA 48 Ca 0.45 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.31 3kcv h ALA 48 Cb 0.43 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kcv h ALA 48 CO -0.26 -0.34 -0.38 0.35 0.00 0.00 0.00 179.25 178.62 3kcv h PHE 49 N 0.18 0.82 -0.22 0.00 3.04 -0.54 -2.03 116.94 118.19 3kcv h PHE 49 Ca 0.18 -0.29 0.06 0.00 3.98 0.00 0.00 57.97 61.91 3kcv h PHE 49 Cb 0.23 -0.16 -0.07 0.00 2.56 0.00 0.00 35.95 38.51 3kcv h PHE 49 CO -0.21 1.05 -0.25 0.28 -2.02 0.00 0.00 178.31 177.16 3kcv h VAL 50 N 0.37 0.39 -0.52 1.41 2.07 -0.75 -0.74 116.25 118.47 3kcv h VAL 50 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3kcv h VAL 50 Cb 0.97 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3kcv h VAL 50 CO 0.09 0.00 0.35 0.15 0.02 0.00 0.00 177.57 178.17 3kcv h PHE 51 N -0.26 0.50 -0.31 1.57 3.57 -1.16 0.72 116.94 121.57 3kcv h PHE 51 Ca 0.13 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 3kcv h PHE 51 Cb 0.46 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3kcv h PHE 51 CO -0.39 0.28 0.07 -0.92 -2.23 0.00 0.00 178.31 175.12 3kcv h TYR 52 N 0.51 0.53 -0.42 0.41 3.20 -0.56 0.44 116.97 121.08 3kcv h TYR 52 Ca 0.22 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 3kcv h TYR 52 Cb 0.24 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3kcv h TYR 52 CO -0.00 0.56 0.17 0.82 -1.64 0.00 0.00 178.16 178.07 3kcv h ILE 53 N 0.34 1.20 -0.81 1.81 1.08 0.32 -1.62 117.51 119.84 3kcv h ILE 53 Ca 0.10 -0.61 -0.04 0.00 -0.39 0.00 0.00 64.86 63.92 3kcv h ILE 53 Cb 0.30 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 3kcv h ILE 53 CO 0.00 0.22 0.35 0.74 -0.69 0.00 0.00 178.15 178.77 3kcv h THR 54 N 0.54 1.26 -0.18 -0.27 2.02 -0.80 -1.56 112.91 113.92 3kcv h THR 54 Ca 0.14 -0.79 -0.13 0.00 0.77 0.00 0.00 66.41 66.41 3kcv h THR 54 Cb 0.19 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3kcv h THR 54 CO -0.01 0.33 -0.43 0.00 0.37 0.00 0.00 175.52 175.77 3kcv h ALA 55 N 1.19 0.93 -0.56 6.16 0.00 -0.66 -3.21 119.26 123.09 3kcv h ALA 55 Ca 0.27 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3kcv h ALA 55 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3kcv h ALA 55 CO -0.03 0.64 0.04 0.25 0.00 0.00 0.00 179.25 180.15 3kcv n THR 56 N -4.01 2.75 -2.93 0.00 -2.24 -0.63 -4.81 114.28 102.42 3kcv n THR 56 Ca -0.02 -1.50 -0.41 0.00 -2.27 0.00 0.00 64.05 59.85 3kcv n THR 56 Cb 0.52 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.82 4.93 -0.02 4.28 2.01 -0.60 -4.25 115.64 119.17 3kcv s THR 57 Ca 0.54 1.60 -0.00 0.00 0.31 0.00 0.00 61.69 64.13 3kcv s THR 57 Cb 0.41 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.81 3kcv s THR 57 CO 0.15 0.10 0.02 0.61 -0.69 0.00 0.00 174.62 174.81 3kcv n GLY 58 N 3.33 0.93 3.41 4.40 0.00 -1.26 -5.00 105.19 110.99 3kcv n GLY 58 Ca 0.03 -0.67 -0.45 0.00 0.00 0.00 0.00 46.02 44.94 3kcv n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kcv s THR 59 N -3.00 5.44 0.00 2.61 -4.23 -1.26 -4.82 115.64 110.39 3kcv s THR 59 Ca 0.01 -2.89 0.00 0.00 -1.18 0.00 0.00 61.69 57.63 3kcv s THR 59 Cb -0.00 -4.76 0.00 0.00 1.34 0.00 0.00 72.50 69.08 3kcv s THR 59 CO 0.01 -1.40 0.00 0.61 -0.54 0.00 0.00 174.62 173.30 3kcv n GLY 60 N 3.61 -0.06 0.60 3.99 0.00 -1.26 -4.45 105.19 107.62 3kcv n GLY 60 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3kcv n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kcv n THR 61 N -1.70 0.00 -4.07 2.61 -2.24 -1.26 -4.56 114.28 103.06 3kcv n THR 61 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 3kcv n THR 61 Cb 0.00 -0.11 -0.17 0.00 -2.10 0.00 0.00 70.33 67.95 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 -0.58 1.87 0.37 -0.78 1.00 -1.26 -5.12 119.30 114.80 3kcv s MET 62 Ca 0.00 -0.40 -0.27 0.00 0.00 0.00 0.00 55.69 55.02 3kcv s MET 62 Cb 0.00 -1.77 -0.11 0.00 0.00 0.00 0.00 34.83 32.94 3kcv s MET 62 CO 0.00 -0.21 1.30 -2.30 0.00 0.00 0.00 175.02 173.82 3kcv n PRO 63 N 4.70 2.12 -0.40 2.03 -0.02 -1.26 -4.85 135.00 137.32 3kcv n PRO 63 Ca -0.16 0.75 -0.09 0.00 -2.02 0.00 0.00 63.50 61.98 3kcv n PRO 63 Cb 0.50 -2.38 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 3kcv n PRO 63 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3kcv h PHE 64 N 2.44 -1.72 -0.57 6.00 3.57 -1.95 -1.54 116.94 123.18 3kcv h PHE 64 Ca -0.47 0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 3kcv h PHE 64 Cb 1.28 0.88 -0.03 0.00 2.79 0.00 0.00 35.95 40.88 3kcv h PHE 64 CO 0.50 -0.38 0.33 0.78 -2.23 0.00 0.00 178.31 177.31 3kcv h GLY 65 N -0.01 0.82 1.14 2.40 0.00 -1.94 -1.82 103.07 103.65 3kcv h GLY 65 Ca 0.20 -0.34 -0.19 0.00 0.00 0.00 0.00 47.33 46.99 3kcv h GLY 65 CO -0.94 0.33 -0.59 -0.33 0.00 0.00 0.00 176.54 175.01 3kcv h MET 66 N 0.78 0.84 -0.33 4.80 2.86 -1.68 0.71 114.93 122.92 3kcv h MET 66 Ca 0.20 -0.57 -0.17 0.00 -2.06 0.00 0.00 59.70 57.10 3kcv h MET 66 Cb -0.01 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 3kcv h MET 66 CO -0.04 1.20 -0.48 0.00 1.06 0.00 0.00 176.91 178.66 3kcv h ALA 67 N 0.64 0.53 -0.33 6.32 0.00 -1.25 -1.53 119.26 123.64 3kcv h ALA 67 Ca -0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 3kcv h ALA 67 Cb 1.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3kcv h ALA 67 CO 0.13 0.68 -0.25 0.87 0.00 0.00 0.00 179.25 180.68 3kcv h LYS 68 N 0.70 0.65 0.40 0.00 6.56 -1.30 -1.09 116.57 122.49 3kcv h LYS 68 Ca 0.03 -0.26 -0.02 0.00 -1.06 0.00 0.00 60.65 59.34 3kcv h LYS 68 Cb 1.07 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 3kcv h LYS 68 CO 0.11 0.84 -0.19 1.25 -2.06 0.00 0.00 179.45 179.40 3kcv h LEU 69 N 0.56 -0.46 -1.06 2.94 5.85 -0.67 0.55 115.31 123.03 3kcv h LEU 69 Ca 0.08 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3kcv h LEU 69 Cb 0.73 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 3kcv h LEU 69 CO 0.06 -0.22 0.56 0.58 -0.34 0.00 0.00 178.44 179.07 3kcv h VAL 70 N -0.67 1.24 -0.50 1.05 2.07 -1.21 -0.56 116.25 117.67 3kcv h VAL 70 Ca -0.06 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 3kcv h VAL 70 Cb 0.49 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3kcv h VAL 70 CO 0.09 0.24 -0.03 1.23 0.02 0.00 0.00 177.57 179.12 3kcv h GLY 71 N 1.23 0.97 1.17 2.17 0.00 -1.16 -1.99 103.07 105.46 3kcv h GLY 71 Ca 0.32 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 3kcv h GLY 71 CO -0.06 0.68 -0.06 -1.33 0.00 0.00 0.00 176.54 175.76 3kcv h GLY 72 N 0.76 1.06 1.21 4.60 0.00 -0.08 0.64 103.07 111.26 3kcv h GLY 72 Ca 0.14 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 3kcv h GLY 72 CO 0.03 0.74 0.44 -2.22 0.00 0.00 0.00 176.54 175.53 3kcv h ILE 73 N 0.88 1.22 0.00 2.60 2.04 -1.16 -0.65 117.51 122.44 3kcv h ILE 73 Ca 0.15 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 3kcv h ILE 73 Cb 0.60 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3kcv h ILE 73 CO 0.04 0.23 -0.28 0.00 0.00 0.00 0.00 178.15 178.14 3kcv h PHE 75 N 0.00 0.96 0.00 0.00 3.57 0.62 -3.15 116.94 118.95 3kcv h PHE 75 Ca -0.00 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.16 3kcv h PHE 75 Cb 0.55 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3kcv h PHE 75 CO 0.00 1.13 0.15 0.66 -2.23 0.00 0.00 178.31 178.02 3kcv h SER 76 N 0.59 0.00 -0.98 0.41 4.64 -1.33 -1.63 113.55 115.25 3kcv h SER 76 Ca 0.02 0.00 0.26 0.00 -0.47 0.00 0.00 61.79 61.59 3kcv h SER 76 Cb 1.12 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.08 3kcv h SER 76 CO 0.11 0.00 0.55 0.25 -0.87 0.00 0.00 176.83 176.87 3kcv h LEU 77 N 0.00 0.57 -0.06 5.97 7.12 -1.73 -0.46 115.31 126.73 3kcv h LEU 77 Ca 0.00 0.15 -0.00 0.00 0.13 0.00 0.00 57.88 58.16 3kcv h LEU 77 Cb 0.30 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.51 3kcv h LEU 77 CO 0.00 0.03 0.03 1.23 -0.13 0.00 0.00 178.44 179.61 3kcv h GLY 78 N 0.49 0.08 1.87 3.75 0.00 -1.48 0.14 103.07 107.92 3kcv h GLY 78 Ca 0.65 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.82 3kcv h GLY 78 CO -0.51 0.03 -0.54 -2.00 0.00 0.00 0.00 176.54 173.52 3kcv h LEU 79 N 0.03 0.15 -0.46 3.11 5.85 -1.53 -1.50 115.31 120.96 3kcv h LEU 79 Ca 0.02 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3kcv h LEU 79 Cb 0.05 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3kcv h LEU 79 CO -0.00 0.66 0.24 0.40 -0.34 0.00 0.00 178.44 179.40 3kcv h ILE 80 N 0.11 1.17 -0.53 4.05 2.04 -0.95 -1.57 117.51 121.83 3kcv h ILE 80 Ca -0.00 -0.47 0.11 0.00 1.00 0.00 0.00 64.86 65.50 3kcv h ILE 80 Cb 0.99 0.64 -0.10 0.00 -0.74 0.00 0.00 36.82 37.61 3kcv h ILE 80 CO 0.08 0.19 -0.14 -0.07 0.00 0.00 0.00 178.15 178.20 3kcv h LEU 81 N 0.60 -0.52 0.05 1.44 4.07 0.01 -1.18 115.31 119.78 3kcv h LEU 81 Ca 0.16 0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.28 3kcv h LEU 81 Cb 0.08 0.34 0.00 0.00 1.08 0.00 0.00 40.66 42.16 3kcv h LEU 81 CO -0.02 -0.18 -0.03 0.00 -1.08 0.00 0.00 178.44 177.13 3kcv h VAL 83 N -0.22 1.27 0.00 0.00 2.07 -1.20 0.09 116.25 118.26 3kcv h VAL 83 Ca -0.01 -1.18 -0.14 0.00 0.82 0.00 0.00 66.70 66.19 3kcv h VAL 83 Cb 0.19 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3kcv h VAL 83 CO 0.01 0.41 -0.66 0.58 0.02 0.00 0.00 177.57 177.93 3kcv h VAL 84 N 0.76 1.17 -0.35 2.57 2.07 -1.25 -3.22 116.25 117.99 3kcv h VAL 84 Ca 0.13 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 65.10 3kcv h VAL 84 Cb 0.61 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 3kcv h VAL 84 CO 0.04 0.65 0.00 0.00 0.02 0.00 0.00 177.57 178.28 3kcv n GLY 86 N 1.48 -0.52 3.89 0.00 0.00 -0.55 -5.02 105.19 104.48 3kcv n GLY 86 Ca 0.19 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.33 3.31 -0.60 4.61 0.00 -0.09 -4.92 121.76 120.74 3kcv s ALA 87 Ca 0.51 -0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.04 3kcv s ALA 87 Cb -0.23 -2.74 0.15 0.00 0.00 0.00 0.00 23.12 20.31 3kcv s ALA 87 CO 0.74 -0.36 0.49 0.34 0.00 0.00 0.00 175.76 176.97 3kcv s ASP 88 N -3.91 5.93 -0.20 0.00 -1.08 -0.52 -4.71 116.67 112.18 3kcv s ASP 88 Ca 0.50 -2.29 -0.16 0.00 -0.52 0.00 0.00 52.55 50.08 3kcv s ASP 88 Cb -0.10 -2.05 -0.04 0.00 -1.46 0.00 0.00 42.92 39.26 3kcv s ASP 88 CO 0.44 -0.62 0.41 -0.22 0.52 0.00 0.00 175.17 175.70 3kcv s LEU 89 N 0.79 4.16 -0.45 -1.34 2.96 -1.26 -4.17 118.68 119.37 3kcv s LEU 89 Ca 0.11 0.54 -0.42 0.00 -0.22 0.00 0.00 54.13 54.14 3kcv s LEU 89 Cb -0.21 -2.53 -0.17 0.00 0.50 0.00 0.00 46.19 43.78 3kcv s LEU 89 CO -0.03 -0.07 2.09 0.33 -1.32 0.00 0.00 176.35 177.35 3kcv n PHE 90 N 4.41 1.36 -0.36 5.38 7.35 -1.26 -0.40 117.46 133.95 3kcv n PHE 90 Ca -0.08 0.66 0.00 0.00 -0.76 0.00 0.00 57.45 57.27 3kcv n PHE 90 Cb 0.51 -2.36 0.00 0.00 0.35 0.00 0.00 39.48 37.98 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 6.40 0.00 0.29 -2.13 -2.24 -1.26 -4.87 114.28 110.46 3kcv n THR 91 Ca 0.48 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.43 3kcv n THR 91 Cb 0.04 -0.05 0.94 0.00 -2.10 0.00 0.00 70.33 69.15 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 -0.24 3.42 4.64 -1.12 -1.42 113.55 118.83 3kcv h SER 92 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kcv h SER 92 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kcv h SER 92 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 3kcv n THR 93 N -3.73 0.54 -0.30 2.95 -2.24 -1.26 -4.33 114.28 105.90 3kcv n THR 93 Ca -0.02 -0.77 0.12 0.00 -2.27 0.00 0.00 64.05 61.11 3kcv n THR 93 Cb 0.13 0.87 0.24 0.00 -2.10 0.00 0.00 70.33 69.47 3kcv n THR 93 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3kcv n VAL 94 N 0.78 -0.37 -0.08 2.28 3.14 -0.54 -0.25 118.33 123.30 3kcv n VAL 94 Ca 0.12 1.94 -0.10 0.00 -2.96 0.00 0.00 64.34 63.34 3kcv n VAL 94 Cb 0.41 -2.81 -0.03 0.00 -1.06 0.00 0.00 33.84 30.36 3kcv n VAL 94 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3kcv h LEU 95 N 0.00 0.33 0.55 6.55 3.38 -1.88 -2.29 115.31 121.96 3kcv h LEU 95 Ca 0.52 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 3kcv h LEU 95 Cb 1.03 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.71 3kcv h LEU 95 CO -0.83 0.31 -0.27 0.40 0.09 0.00 0.00 178.44 178.14 3kcv h ILE 96 N 0.32 0.44 -0.87 1.22 5.03 -1.01 -0.79 117.51 121.85 3kcv h ILE 96 Ca 0.09 -0.09 0.17 0.00 -0.12 0.00 0.00 64.86 64.91 3kcv h ILE 96 Cb 0.05 0.48 -0.10 0.00 -3.03 0.00 0.00 36.82 34.22 3kcv h ILE 96 CO -0.02 0.02 0.44 0.58 -0.68 0.00 0.00 178.15 178.49 3kcv h VAL 97 N -0.80 0.66 0.21 1.67 2.07 -1.29 0.67 116.25 119.45 3kcv h VAL 97 Ca -0.08 -0.20 -0.33 0.00 0.82 0.00 0.00 66.70 66.92 3kcv h VAL 97 Cb 0.60 0.03 0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3kcv h VAL 97 CO 0.13 0.11 -1.47 0.58 0.02 0.00 0.00 177.57 176.93 3kcv h VAL 98 N 0.58 1.27 0.00 2.57 2.07 -1.42 -3.36 116.25 117.96 3kcv h VAL 98 Ca 0.50 -2.76 0.00 0.00 0.82 0.00 0.00 66.70 65.26 3kcv h VAL 98 Cb 0.78 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 3kcv h VAL 98 CO -0.41 0.83 0.00 0.00 0.02 0.00 0.00 177.57 178.02 3kcv n ALA 99 N -2.70 2.53 -0.07 1.67 0.00 -0.30 -1.42 120.51 120.22 3kcv n ALA 99 Ca -0.16 -0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.07 3kcv n ALA 99 Cb 1.08 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 3kcv n ALA 99 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kcv h LYS 100 N 0.00 0.00 0.00 0.00 3.64 -1.04 -3.38 116.57 115.79 3kcv h LYS 100 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kcv h LYS 100 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3kcv h LYS 100 CO 0.00 0.05 0.00 0.00 -2.27 0.00 0.00 179.45 177.23 3kcv n ALA 101 N -3.53 2.09 -2.63 5.00 0.00 -1.24 -4.88 120.51 115.32 3kcv n ALA 101 Ca -0.07 -0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 3kcv n ALA 101 Cb 0.26 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.20 -3.44 0.00 0.00 7.64 -0.82 -0.89 113.62 114.91 3kcv n SER 102 Ca 0.11 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.86 3kcv n SER 102 Cb 0.13 -2.28 0.00 0.00 -1.01 0.00 0.00 64.21 61.05 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 -1.06 0.88 2.78 0.23 0.00 -0.51 -4.83 105.19 102.67 3kcv n GLY 103 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3kcv n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcv n ARG 104 N -2.00 1.12 -3.31 1.61 1.74 -0.06 -4.55 116.66 111.20 3kcv n ARG 104 Ca 0.00 -1.00 0.03 0.00 -0.77 0.00 0.00 57.85 56.11 3kcv n ARG 104 Cb 0.00 -2.23 -0.04 0.00 -1.02 0.00 0.00 32.46 29.17 3kcv n ARG 104 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3kcv s ILE 105 N 4.10 -0.19 0.42 0.55 2.07 -1.26 -4.90 121.20 121.99 3kcv s ILE 105 Ca 0.21 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.35 3kcv s ILE 105 Cb 0.06 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.58 3kcv s ILE 105 CO -0.02 0.00 0.80 0.28 -1.91 0.00 0.00 174.94 174.09 3kcv s THR 106 N 2.07 4.77 0.00 4.00 -1.32 -1.26 -4.87 115.64 119.02 3kcv s THR 106 Ca -0.02 0.66 0.00 0.00 -1.21 0.00 0.00 61.69 61.12 3kcv s THR 106 Cb -0.03 -3.74 0.00 0.00 -1.51 0.00 0.00 72.50 67.22 3kcv s THR 106 CO -0.16 -0.57 0.72 0.79 -2.21 0.00 0.00 174.62 173.19 3kcv n TRP 107 N -1.41 0.00 -0.23 9.09 8.01 -1.26 -1.06 117.44 130.57 3kcv n TRP 107 Ca 0.03 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.20 3kcv n TRP 107 Cb 0.54 -0.25 0.10 0.00 -2.01 0.00 0.00 31.31 29.69 3kcv n TRP 107 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 3kcv h GLY 108 N 0.00 0.99 -0.14 6.99 0.00 -1.98 0.34 103.07 109.26 3kcv h GLY 108 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3kcv h GLY 108 CO 0.00 0.16 0.00 -0.18 0.00 0.00 0.00 176.54 176.52 3kcv n GLN 109 N -4.79 0.26 0.00 4.80 0.00 -0.47 -1.36 117.38 115.83 3kcv n GLN 109 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 3kcv n GLN 109 Cb 0.18 -1.02 0.00 0.00 0.00 0.00 0.00 30.24 29.40 3kcv n GLN 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3kcv n LEU 110 N -0.38 0.64 -0.02 1.69 4.77 0.95 -4.67 117.00 119.99 3kcv n LEU 110 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3kcv n LEU 110 Cb 0.01 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 3kcv n LEU 110 CO 0.00 0.11 0.63 0.00 -1.33 0.00 0.00 177.39 176.79 3kcv h ALA 111 N 0.00 0.01 -0.73 -1.18 0.00 0.42 -3.24 119.26 114.54 3kcv h ALA 111 Ca 0.00 -0.25 0.24 0.00 0.00 0.00 0.00 54.91 54.89 3kcv h ALA 111 Cb 0.64 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.30 3kcv h ALA 111 CO 0.00 -0.23 0.15 0.36 0.00 0.00 0.00 179.25 179.53 3kcv n LYS 112 N -4.83 -0.05 0.29 0.00 2.85 -0.84 -1.09 118.16 114.49 3kcv n LYS 112 Ca -0.08 1.06 -0.16 0.00 -1.05 0.00 0.00 58.31 58.08 3kcv n LYS 112 Cb 0.26 -1.76 -0.08 0.00 -0.65 0.00 0.00 35.03 32.80 3kcv n LYS 112 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 3kcv h ASN 113 N 0.00 -0.61 -0.46 -5.58 -1.24 -1.83 -2.94 115.58 102.92 3kcv h ASN 113 Ca 0.50 -0.02 0.06 0.00 0.71 0.00 0.00 56.30 57.56 3kcv h ASN 113 Cb 1.17 0.16 -0.05 0.00 0.73 0.00 0.00 38.32 40.32 3kcv h ASN 113 CO -0.64 -0.37 0.15 -0.50 -1.29 0.00 0.00 177.43 174.78 3kcv h TRP 114 N -0.81 0.27 -0.63 0.67 4.06 -1.21 0.87 115.95 119.18 3kcv h TRP 114 Ca -0.07 0.02 0.09 0.00 2.06 0.00 0.00 58.89 60.99 3kcv h TRP 114 Cb 0.59 -0.05 -0.07 0.00 -1.00 0.00 0.00 29.16 28.63 3kcv h TRP 114 CO -0.02 0.09 0.26 1.25 -3.56 0.00 0.00 178.44 176.46 3kcv h LEU 115 N 0.32 0.30 0.26 -4.49 5.85 -1.57 0.18 115.31 116.16 3kcv h LEU 115 Ca 0.22 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 3kcv h LEU 115 Cb 0.23 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3kcv h LEU 115 CO -0.23 0.18 -0.20 -1.13 -0.34 0.00 0.00 178.44 176.72 3kcv h ASN 116 N 0.47 -0.53 -0.65 1.25 -1.24 -1.01 -1.90 115.58 111.98 3kcv h ASN 116 Ca 0.31 0.04 0.06 0.00 0.71 0.00 0.00 56.30 57.42 3kcv h ASN 116 Cb 0.35 0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.52 3kcv h ASN 116 CO -0.28 -0.31 0.36 0.58 -1.29 0.00 0.00 177.43 176.48 3kcv h VAL 117 N -0.47 0.97 0.05 2.57 2.07 -0.19 -1.31 116.25 119.94 3kcv h VAL 117 Ca -0.02 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.30 3kcv h VAL 117 Cb 0.42 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3kcv h VAL 117 CO -0.01 0.12 -0.22 0.22 0.02 0.00 0.00 177.57 177.70 3kcv h TYR 118 N 0.67 -0.57 -0.79 1.57 3.20 -0.51 0.32 116.97 120.86 3kcv h TYR 118 Ca 0.29 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3kcv h TYR 118 Cb 0.17 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 3kcv h TYR 118 CO -0.08 -0.31 0.49 0.35 -1.64 0.00 0.00 178.16 176.98 3kcv h PHE 119 N -0.37 1.02 0.61 -3.82 3.57 -1.08 -1.50 116.94 115.36 3kcv h PHE 119 Ca 0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3kcv h PHE 119 Cb 0.42 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3kcv h PHE 119 CO -0.23 0.66 -0.38 0.78 -2.23 0.00 0.00 178.31 176.90 3kcv h GLY 120 N 1.09 -1.03 -0.19 2.40 0.00 -0.54 -0.88 103.07 103.92 3kcv h GLY 120 Ca 0.29 0.43 0.24 0.00 0.00 0.00 0.00 47.33 48.28 3kcv h GLY 120 CO -0.06 -0.36 0.50 3.43 0.00 0.00 0.00 176.54 180.05 3kcv h ASN 121 N -0.94 0.51 0.22 0.19 -0.26 0.09 -0.89 115.58 114.50 3kcv h ASN 121 Ca -0.07 0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 3kcv h ASN 121 Cb 0.77 0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.11 3kcv h ASN 121 CO 0.07 0.04 -0.11 0.25 -1.06 0.00 0.00 177.43 176.63 3kcv h LEU 122 N 0.49 -0.25 -1.04 1.61 5.85 -1.04 -0.05 115.31 120.87 3kcv h LEU 122 Ca 0.61 -0.18 0.23 0.00 0.84 0.00 0.00 57.88 59.38 3kcv h LEU 122 Cb 1.17 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.15 3kcv h LEU 122 CO -0.51 0.05 0.61 0.58 -0.34 0.00 0.00 178.44 178.83 3kcv h VAL 123 N -0.56 0.59 -0.05 1.05 2.07 0.13 0.11 116.25 119.60 3kcv h VAL 123 Ca -0.03 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3kcv h VAL 123 Cb 0.41 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3kcv h VAL 123 CO 0.05 0.11 -0.01 1.23 0.02 0.00 0.00 177.57 178.97 3kcv h GLY 124 N 0.63 0.10 0.77 2.17 0.00 -0.74 -0.45 103.07 105.54 3kcv h GLY 124 Ca 0.62 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.90 3kcv h GLY 124 CO -0.43 0.07 0.06 0.00 0.00 0.00 0.00 176.54 176.24 3kcv h ALA 125 N 0.67 0.25 -0.00 3.60 0.00 0.06 -1.82 119.26 122.01 3kcv h ALA 125 Ca 0.01 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kcv h ALA 125 Cb 0.39 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kcv h ALA 125 CO 0.00 -0.36 -0.06 -0.07 0.00 0.00 0.00 179.25 178.76 3kcv h LEU 126 N 0.15 -0.17 -1.15 0.00 3.38 -0.74 0.39 115.31 117.18 3kcv h LEU 126 Ca 0.10 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.22 3kcv h LEU 126 Cb 0.09 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 3kcv h LEU 126 CO -0.13 -0.09 0.60 -0.07 0.09 0.00 0.00 178.44 178.85 3kcv h LEU 127 N -0.10 0.81 -0.93 1.67 3.38 -0.95 -0.48 115.31 118.71 3kcv h LEU 127 Ca 0.02 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3kcv h LEU 127 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kcv h LEU 127 CO -0.06 0.44 -0.45 0.15 0.09 0.00 0.00 178.44 178.61 3kcv h PHE 128 N 0.88 0.22 -0.01 1.13 3.57 -0.39 -1.96 116.94 120.37 3kcv h PHE 128 Ca 0.46 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3kcv h PHE 128 Cb 0.53 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 3kcv h PHE 128 CO -0.00 0.60 0.00 0.28 -2.23 0.00 0.00 178.31 176.97 3kcv h VAL 129 N 0.15 1.00 -0.31 1.41 2.07 0.64 -0.11 116.25 121.10 3kcv h VAL 129 Ca 0.01 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 3kcv h VAL 129 Cb 0.85 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 3kcv h VAL 129 CO 0.07 0.00 -0.20 0.25 0.02 0.00 0.00 177.57 177.71 3kcv h LEU 130 N 0.01 -0.65 -0.03 2.57 5.85 -1.05 0.65 115.31 122.66 3kcv h LEU 130 Ca 0.01 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3kcv h LEU 130 Cb 0.00 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3kcv h LEU 130 CO -0.00 -0.23 0.02 0.25 -0.34 0.00 0.00 178.44 178.13 3kcv h LEU 131 N -0.16 0.04 -2.43 2.25 5.85 -1.25 0.28 115.31 119.89 3kcv h LEU 131 Ca 0.16 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3kcv h LEU 131 Cb 0.41 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3kcv h LEU 131 CO -0.41 0.09 -0.02 0.24 -0.34 0.00 0.00 178.44 178.00 3kcv h MET 132 N -0.01 0.00 0.06 1.25 2.86 -0.70 -0.18 114.93 118.21 3kcv h MET 132 Ca 0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3kcv h MET 132 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3kcv h MET 132 CO -0.00 0.02 -0.03 2.35 1.06 0.00 0.00 176.91 180.31 3kcv h TRP 133 N 0.00 -0.08 -1.38 -0.22 2.91 -0.08 -3.31 115.95 113.80 3kcv h TRP 133 Ca -0.00 -0.00 0.40 0.00 1.13 0.00 0.00 58.89 60.42 3kcv h TRP 133 Cb 0.16 0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 28.77 3kcv h TRP 133 CO 0.00 0.28 0.98 -0.07 -1.03 0.00 0.00 178.44 178.59 3kcv h LEU 134 N -0.99 0.06 -0.63 0.65 3.38 -0.67 0.16 115.31 117.26 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 0.39 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3kcv h LEU 134 CO 0.01 -0.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.00 3kcv n SER 135 N -4.20 0.71 -2.87 -0.43 3.41 -0.10 -4.88 113.62 105.25 3kcv n SER 135 Ca 0.31 0.66 -0.20 0.00 -0.26 0.00 0.00 58.87 59.38 3kcv n SER 135 Cb 1.42 -0.82 0.05 0.00 -0.26 0.00 0.00 64.21 64.60 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 0.17 -0.35 0.14 5.00 0.00 0.56 -4.90 105.19 105.80 3kcv n GLY 136 Ca 0.02 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.70 0.00 0.00 1.61 4.57 -1.77 -3.26 114.58 114.02 3kcv h GLU 137 Ca -0.47 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.69 3kcv h GLU 137 Cb 1.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 3kcv h GLU 137 CO 0.49 0.18 -0.08 0.10 -1.18 0.00 0.00 179.01 178.53 3kcv h TYR 138 N 0.00 0.00 0.00 0.92 -0.00 -1.90 0.18 116.97 116.17 3kcv h TYR 138 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.69 3kcv h TYR 138 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.96 3kcv h TYR 138 CO 0.00 0.08 0.00 -1.33 -0.00 0.00 0.00 178.16 176.91 3kcv n MET 139 N -3.65 0.75 -1.77 0.10 2.81 -1.23 -1.10 117.12 113.03 3kcv n MET 139 Ca -0.02 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.48 3kcv n MET 139 Cb 0.19 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.23 3kcv n MET 139 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3kcv s THR 140 N -2.23 2.04 -1.42 2.03 2.01 0.64 -2.09 115.64 116.62 3kcv s THR 140 Ca 0.39 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.38 3kcv s THR 140 Cb 0.21 -3.02 0.03 0.00 0.01 0.00 0.00 72.50 69.73 3kcv s THR 140 CO 0.40 0.00 0.41 0.00 -0.69 0.00 0.00 174.62 174.74 3kcv n ALA 141 N -0.70 -0.94 -3.08 7.40 0.00 -1.26 -1.87 120.51 120.06 3kcv n ALA 141 Ca 0.08 0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.57 3kcv n ALA 141 Cb 0.44 -2.99 0.06 0.00 0.00 0.00 0.00 19.45 16.96 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 -2.28 -5.61 0.00 0.00 4.05 -0.89 -2.69 115.26 107.84 3kcv n ASN 142 Ca -0.10 -0.62 0.00 0.00 0.45 0.00 0.00 54.58 54.31 3kcv n ASN 142 Cb 0.60 -4.69 0.00 0.00 1.23 0.00 0.00 39.78 36.92 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 -1.24 2.10 0.35 8.20 0.00 -0.90 -4.37 105.19 109.33 3kcv n GLY 143 Ca -0.09 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.51 0.45 1.61 1.08 -1.50 0.58 115.11 117.83 3kcv h GLN 144 Ca 0.00 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3kcv h GLN 144 Cb 0.00 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 3kcv h GLN 144 CO 0.00 0.34 -0.25 2.35 -0.95 0.00 0.00 178.83 180.32 3kcv h TRP 145 N 0.52 -0.65 -0.47 2.96 7.01 -1.55 0.74 115.95 124.51 3kcv h TRP 145 Ca 0.65 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.74 3kcv h TRP 145 Cb 1.33 0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 28.59 3kcv h TRP 145 CO -0.01 -0.38 0.32 0.78 -2.79 0.00 0.00 178.44 176.37 3kcv h GLY 146 N -0.64 0.32 0.90 2.65 0.00 -0.35 0.78 103.07 106.73 3kcv h GLY 146 Ca -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 3kcv h GLY 146 CO 0.08 0.06 0.06 -2.00 0.00 0.00 0.00 176.54 174.74 3kcv h LEU 147 N 0.24 0.50 -0.66 3.11 5.85 -0.78 -1.25 115.31 122.33 3kcv h LEU 147 Ca 0.22 -0.25 0.14 0.00 0.84 0.00 0.00 57.88 58.83 3kcv h LEU 147 Cb 0.55 -0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.34 3kcv h LEU 147 CO -0.04 0.62 0.04 -1.13 -0.34 0.00 0.00 178.44 177.59 3kcv h ASN 148 N 0.36 -0.22 -0.37 1.25 -0.73 0.16 0.50 115.58 116.52 3kcv h ASN 148 Ca 0.10 0.16 0.05 0.00 1.87 0.00 0.00 56.30 58.47 3kcv h ASN 148 Cb 0.33 0.26 -0.04 0.00 0.27 0.00 0.00 38.32 39.14 3kcv h ASN 148 CO 0.00 -0.10 0.10 0.58 -0.37 0.00 0.00 177.43 177.64 3kcv h VAL 149 N 0.15 0.85 -0.26 2.57 2.07 -1.16 -1.11 116.25 119.37 3kcv h VAL 149 Ca 0.35 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.83 3kcv h VAL 149 Cb 0.58 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3kcv h VAL 149 CO -0.54 0.04 0.03 -0.07 0.02 0.00 0.00 177.57 177.05 3kcv h LEU 150 N 0.24 -0.04 -0.25 2.57 3.38 0.24 0.58 115.31 122.03 3kcv h LEU 150 Ca 0.17 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 3kcv h LEU 150 Cb 0.17 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kcv h LEU 150 CO -0.20 0.01 -0.21 1.56 0.09 0.00 0.00 178.44 179.69 3kcv h GLN 151 N 0.11 0.58 -0.81 1.13 4.20 -0.95 -0.28 115.11 119.09 3kcv h GLN 151 Ca 0.12 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 3kcv h GLN 151 Cb 0.14 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3kcv h GLN 151 CO -0.18 0.88 0.42 1.15 -0.67 0.00 0.00 178.83 180.43 3kcv h THR 152 N 0.29 1.24 -0.07 -0.54 2.02 -0.91 -1.63 112.91 113.31 3kcv h THR 152 Ca 0.04 -0.63 -0.17 0.00 0.77 0.00 0.00 66.41 66.42 3kcv h THR 152 Cb 0.75 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3kcv h THR 152 CO 0.05 0.28 -0.68 0.00 0.37 0.00 0.00 175.52 175.54 3kcv h ALA 153 N 1.33 0.69 -0.33 6.16 0.00 -0.81 -3.27 119.26 123.03 3kcv h ALA 153 Ca 0.28 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kcv h ALA 153 Cb 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kcv h ALA 153 CO -0.04 0.76 0.21 0.22 0.00 0.00 0.00 179.25 180.40 3kcv h ASP 154 N 0.23 0.39 -0.97 0.00 3.58 -0.27 -2.96 116.42 116.42 3kcv h ASP 154 Ca -0.02 -0.04 0.21 0.00 0.42 0.00 0.00 57.03 57.60 3kcv h ASP 154 Cb 1.23 -0.10 -0.09 0.00 1.72 0.00 0.00 39.33 42.10 3kcv h ASP 154 CO 0.11 0.31 0.62 -0.74 -2.88 0.00 0.00 179.24 176.66 3kcv h HIS 155 N 0.43 0.77 0.00 0.28 2.76 -1.38 -3.05 115.15 114.97 3kcv h HIS 155 Ca 0.12 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3kcv h HIS 155 Cb -0.02 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.71 3kcv h HIS 155 CO -0.05 0.17 0.00 1.63 -1.30 0.00 0.00 177.93 178.38 3kcv n LYS 156 N -4.63 0.22 0.00 5.26 5.02 -1.12 -2.83 118.16 120.08 3kcv n LYS 156 Ca 0.22 0.26 0.11 0.00 -2.02 0.00 0.00 58.31 56.87 3kcv n LYS 156 Cb 0.68 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 3kcv n LYS 156 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3kcv n VAL 157 N -2.18 0.00 -0.45 -0.18 0.24 -1.15 -4.31 118.33 110.30 3kcv n VAL 157 Ca 0.05 -0.11 -0.16 0.00 -2.04 0.00 0.00 64.34 62.08 3kcv n VAL 157 Cb 0.36 1.02 0.11 0.00 -1.47 0.00 0.00 33.84 33.87 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 -0.84 1.97 -4.02 6.34 8.25 -1.13 -4.89 115.22 120.91 3kcv n HIS 158 Ca 0.07 -1.41 -0.34 0.00 -0.26 0.00 0.00 57.72 55.78 3kcv n HIS 158 Cb 0.39 -0.72 -0.10 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 -2.12 3.24 0.46 4.41 3.76 -1.26 -5.09 115.29 118.69 3kcv s HIS 159 Ca 0.37 0.05 -0.24 0.00 -0.15 0.00 0.00 55.06 55.09 3kcv s HIS 159 Cb 0.31 -2.08 -0.07 0.00 1.11 0.00 0.00 32.58 31.85 3kcv s HIS 159 CO 0.07 0.14 1.32 0.95 -0.85 0.00 0.00 174.74 176.37 3kcv s THR 160 N 0.38 2.44 0.25 1.30 -4.23 -1.26 -4.73 115.64 109.79 3kcv s THR 160 Ca 0.03 0.36 -0.12 0.00 -1.18 0.00 0.00 61.69 60.78 3kcv s THR 160 Cb -0.12 -3.20 0.35 0.00 1.34 0.00 0.00 72.50 70.87 3kcv s THR 160 CO 0.00 0.03 1.53 0.33 -0.54 0.00 0.00 174.62 175.97 3kcv n PHE 161 N -0.34 0.20 0.24 3.99 7.35 -1.26 -1.09 117.46 126.56 3kcv n PHE 161 Ca 0.06 1.21 -0.16 0.00 -0.76 0.00 0.00 57.45 57.80 3kcv n PHE 161 Cb 0.44 -0.98 -0.08 0.00 0.35 0.00 0.00 39.48 39.22 3kcv n PHE 161 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3kcv h ILE 162 N 0.00 0.53 -0.44 -2.13 2.04 -1.98 -1.48 117.51 114.05 3kcv h ILE 162 Ca 0.41 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.36 3kcv h ILE 162 Cb 0.66 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 37.18 3kcv h ILE 162 CO -1.00 0.00 -0.13 -0.33 0.00 0.00 0.00 178.15 176.69 3kcv h GLU 163 N -0.60 -0.03 -0.29 2.37 5.08 -1.54 -0.32 114.58 119.24 3kcv h GLU 163 Ca -0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3kcv h GLU 163 Cb 0.48 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3kcv h GLU 163 CO 0.07 -0.02 0.10 0.00 -1.00 0.00 0.00 179.01 178.16 3kcv h ALA 164 N 1.38 1.63 -0.12 3.43 0.00 -0.92 0.47 119.26 125.11 3kcv h ALA 164 Ca 0.21 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3kcv h ALA 164 Cb 0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kcv h ALA 164 CO -0.47 0.29 -0.10 0.28 0.00 0.00 0.00 179.25 179.25 3kcv h VAL 165 N 0.41 1.34 -0.74 0.00 2.07 -0.39 -1.25 116.25 117.70 3kcv h VAL 165 Ca 0.10 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.48 3kcv h VAL 165 Cb 0.12 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 3kcv h VAL 165 CO -0.01 0.35 0.49 0.00 0.02 0.00 0.00 177.57 178.42 3kcv h LEU 167 N 0.75 0.13 -0.62 0.00 3.38 -0.86 -1.24 115.31 116.84 3kcv h LEU 167 Ca 0.32 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 3kcv h LEU 167 Cb 0.30 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3kcv h LEU 167 CO -0.11 0.74 -0.12 1.23 0.09 0.00 0.00 178.44 180.28 3kcv h GLY 168 N 1.75 1.04 0.95 0.83 0.00 0.25 -1.05 103.07 106.84 3kcv h GLY 168 Ca -0.01 -0.83 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 3kcv h GLY 168 CO 0.09 0.76 -0.03 -2.22 0.00 0.00 0.00 176.54 175.14 3kcv h ILE 169 N 0.86 0.96 -0.61 2.60 2.04 0.10 -2.37 117.51 121.10 3kcv h ILE 169 Ca 0.13 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3kcv h ILE 169 Cb 0.66 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3kcv h ILE 169 CO 0.05 0.03 0.34 -0.07 0.00 0.00 0.00 178.15 178.50 3kcv h LEU 170 N -0.15 0.73 -0.06 1.44 3.38 -1.09 -1.33 115.31 118.25 3kcv h LEU 170 Ca -0.01 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3kcv h LEU 170 Cb 0.12 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kcv h LEU 170 CO 0.02 0.59 -0.32 0.00 0.09 0.00 0.00 178.44 178.81 3kcv h ALA 171 N 1.54 0.12 0.00 1.53 0.00 -1.12 -2.99 119.26 118.33 3kcv h ALA 171 Ca 0.22 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3kcv h ALA 171 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kcv h ALA 171 CO -0.04 0.17 -0.33 -0.97 0.00 0.00 0.00 179.25 178.09 3kcv h ASN 172 N -0.20 0.00 0.24 0.00 -1.24 -1.33 -1.80 115.58 111.25 3kcv h ASN 172 Ca -0.02 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 3kcv h ASN 172 Cb 0.98 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.02 3kcv h ASN 172 CO 0.07 0.33 -0.19 -0.07 -1.29 0.00 0.00 177.43 176.27 3kcv h LEU 173 N 0.00 -0.50 -0.92 0.34 3.38 -1.21 -1.40 115.31 115.01 3kcv h LEU 173 Ca -0.00 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kcv h LEU 173 Cb 0.78 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 3kcv h LEU 173 CO 0.04 -0.29 0.26 0.24 0.09 0.00 0.00 178.44 178.78 3kcv h MET 174 N -0.44 1.05 -0.08 1.13 2.86 -1.35 -1.36 114.93 116.74 3kcv h MET 174 Ca -0.01 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 3kcv h MET 174 Cb 0.39 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 3kcv h MET 174 CO -0.02 0.87 -0.02 0.28 1.06 0.00 0.00 176.91 179.08 3kcv h VAL 175 N 1.03 1.30 -0.54 -2.22 2.07 -1.18 0.21 116.25 116.92 3kcv h VAL 175 Ca 0.23 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 3kcv h VAL 175 Cb 0.22 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3kcv h VAL 175 CO -0.02 0.26 0.10 0.00 0.02 0.00 0.00 177.57 177.94 3kcv h LEU 177 N 0.80 0.71 -0.03 0.00 3.38 -1.10 0.18 115.31 119.24 3kcv h LEU 177 Ca 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kcv h LEU 177 Cb 0.34 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3kcv h LEU 177 CO 0.00 0.79 -0.02 0.00 0.09 0.00 0.00 178.44 179.30 3kcv h ALA 178 N 1.29 0.05 0.41 1.53 0.00 -0.22 -0.47 119.26 121.84 3kcv h ALA 178 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kcv h ALA 178 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3kcv h ALA 178 CO 0.02 -0.21 -0.30 0.28 0.00 0.00 0.00 179.25 179.04 3kcv h VAL 179 N -0.35 0.38 -0.58 0.00 2.07 -1.12 -1.10 116.25 115.56 3kcv h VAL 179 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 3kcv h VAL 179 Cb 0.47 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 30.52 3kcv h VAL 179 CO 0.01 0.00 -0.51 -0.25 0.02 0.00 0.00 177.57 176.84 3kcv h TRP 180 N -0.70 -1.53 0.00 1.57 -0.00 -0.65 0.51 115.95 115.15 3kcv h TRP 180 Ca -0.04 0.09 0.00 0.00 -0.00 0.00 0.00 58.89 58.94 3kcv h TRP 180 Cb 0.60 0.75 0.00 0.00 -0.00 0.00 0.00 29.16 30.50 3kcv h TRP 180 CO -0.13 -0.44 0.04 0.52 -0.00 0.00 0.00 178.44 178.42 3kcv h MET 181 N -0.26 0.00 -0.07 2.65 2.86 -0.99 -2.04 114.93 117.08 3kcv h MET 181 Ca 0.14 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.66 3kcv h MET 181 Cb 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3kcv h MET 181 CO -0.69 0.00 -0.50 1.03 1.06 0.00 0.00 176.91 177.81 3kcv h SER 182 N 0.00 0.19 -0.48 1.22 0.87 0.14 -3.26 113.55 112.23 3kcv h SER 182 Ca 0.00 -0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.38 3kcv h SER 182 Cb 0.08 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3kcv h SER 182 CO 0.00 0.66 -0.05 1.88 -0.53 0.00 0.00 176.83 178.79 3kcv h TYR 183 N 0.14 1.00 0.00 2.24 0.05 -1.13 -1.07 116.97 118.20 3kcv h TYR 183 Ca 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.61 3kcv h TYR 183 Cb 0.93 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.41 3kcv h TYR 183 CO 0.01 0.93 0.08 0.43 -1.05 0.00 0.00 178.16 178.55 3kcv n SER 184 N -4.18 0.00 -4.70 3.88 7.64 -1.23 -4.77 113.62 110.27 3kcv n SER 184 Ca 0.02 0.14 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 3kcv n SER 184 Cb 0.35 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 3kcv n SER 184 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcv n GLY 185 N -1.03 1.66 0.00 0.23 0.00 -0.40 -4.98 105.19 100.66 3kcv n GLY 185 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 3kcv n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcv n ARG 186 N 5.37 0.00 -1.60 1.61 5.12 -1.26 -4.90 116.66 120.99 3kcv n ARG 186 Ca 0.18 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.80 3kcv n ARG 186 Cb 0.37 -0.07 0.18 0.00 -1.16 0.00 0.00 32.46 31.78 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 -1.21 2.75 0.21 0.55 1.04 -1.26 -4.85 113.70 110.93 3kcv s SER 187 Ca 0.00 0.58 -0.09 0.00 0.48 0.00 0.00 55.95 56.92 3kcv s SER 187 Cb 0.00 -0.85 0.19 0.00 0.10 0.00 0.00 66.02 65.46 3kcv s SER 187 CO 0.00 -2.99 1.87 0.25 0.98 0.00 0.00 173.24 173.36 3kcv h LEU 188 N -1.81 0.84 -0.67 2.42 5.85 -1.99 -2.16 115.31 117.79 3kcv h LEU 188 Ca -0.46 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.38 3kcv h LEU 188 Cb 1.28 -0.20 -0.13 0.00 0.37 0.00 0.00 40.66 41.99 3kcv h LEU 188 CO 0.45 0.59 -0.19 -0.03 -0.34 0.00 0.00 178.44 178.92 3kcv h MET 189 N 0.99 -0.02 -0.54 1.25 4.05 -1.99 -1.15 114.93 117.52 3kcv h MET 189 Ca 0.29 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.61 3kcv h MET 189 Cb -0.05 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 3kcv h MET 189 CO -0.09 -0.02 -0.08 -0.44 0.23 0.00 0.00 176.91 176.52 3kcv h ASP 190 N -0.03 1.00 1.35 1.39 5.19 -1.76 -1.72 116.42 121.85 3kcv h ASP 190 Ca 0.31 -0.34 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 3kcv h ASP 190 Cb 0.51 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 3kcv h ASP 190 CO -0.70 1.11 -0.17 0.11 -3.12 0.00 0.00 179.24 176.47 3kcv h LYS 191 N 0.88 0.00 0.00 3.56 1.57 -0.84 -3.26 116.57 118.48 3kcv h LYS 191 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3kcv h LYS 191 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3kcv h LYS 191 CO 0.04 0.17 -0.78 0.00 -0.57 0.00 0.00 179.45 178.32 3kcv n ALA 192 N -2.16 0.68 0.58 3.86 0.00 -0.48 -4.52 120.51 118.46 3kcv n ALA 192 Ca 0.02 -0.67 0.01 0.00 0.00 0.00 0.00 53.44 52.79 3kcv n ALA 192 Cb 0.49 0.02 0.03 0.00 0.00 0.00 0.00 19.45 20.00 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 -4.16 0.00 -0.10 0.00 0.99 -0.65 -1.86 117.46 111.68 3kcv n PHE 193 Ca -0.11 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.13 3kcv n PHE 193 Cb 0.40 0.00 -0.12 0.00 -1.00 0.00 0.00 39.48 38.76 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 -0.56 1.58 0.30 4.37 0.13 -1.23 -4.40 119.36 119.55 3kcv n ILE 194 Ca 0.01 -0.52 0.19 0.00 -1.10 0.00 0.00 62.75 61.33 3kcv n ILE 194 Cb 0.00 -1.63 0.88 0.00 -0.84 0.00 0.00 39.64 38.05 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 -0.23 0.00 -0.18 9.51 2.86 -1.60 -3.30 114.93 121.98 3kcv h MET 195 Ca -0.54 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.12 3kcv h MET 195 Cb 1.84 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.47 3kcv h MET 195 CO -0.11 0.00 0.03 0.28 1.06 0.00 0.00 176.91 178.17 3kcv h VAL 196 N 0.00 0.91 -0.16 -2.22 2.07 -1.76 -1.75 116.25 113.34 3kcv h VAL 196 Ca 0.00 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3kcv h VAL 196 Cb 0.27 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3kcv h VAL 196 CO 0.00 0.02 0.08 -0.07 0.02 0.00 0.00 177.57 177.62 3kcv h LEU 197 N 0.10 0.20 -1.83 2.57 4.07 -1.86 0.10 115.31 118.67 3kcv h LEU 197 Ca 0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 3kcv h LEU 197 Cb 0.08 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 3kcv h LEU 197 CO -0.11 0.24 -0.12 -0.65 -1.08 0.00 0.00 178.44 176.71 3kcv h PRO 198 N 0.15 0.00 0.00 1.13 0.11 -1.74 -0.88 132.00 130.77 3kcv h PRO 198 Ca 0.06 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 3kcv h PRO 198 Cb 0.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 3kcv h PRO 198 CO -0.01 0.12 -0.31 0.28 -0.21 0.00 0.00 178.00 177.88 3kcv h VAL 199 N 0.00 0.86 -0.70 3.15 2.07 -1.13 -2.61 116.25 117.89 3kcv h VAL 199 Ca -0.00 -1.73 0.13 0.00 0.82 0.00 0.00 66.70 65.92 3kcv h VAL 199 Cb 0.38 1.71 -0.09 0.00 -1.52 0.00 0.00 31.29 31.77 3kcv h VAL 199 CO 0.02 0.29 0.23 0.00 0.02 0.00 0.00 177.57 178.13 3kcv h ALA 200 N -0.52 0.92 -0.46 1.67 0.00 -0.81 -1.07 119.26 118.99 3kcv h ALA 200 Ca -0.07 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3kcv h ALA 200 Cb 0.70 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3kcv h ALA 200 CO -0.04 -0.25 0.14 1.98 0.00 0.00 0.00 179.25 181.08 3kcv h MET 201 N 0.37 0.72 -0.24 0.00 -1.53 -1.30 0.21 114.93 113.16 3kcv h MET 201 Ca 0.38 -0.16 -0.10 0.00 -3.44 0.00 0.00 59.70 56.38 3kcv h MET 201 Cb 0.57 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.50 3kcv h MET 201 CO -0.41 0.69 -0.27 0.27 0.14 0.00 0.00 176.91 177.33 3kcv h PHE 202 N 0.61 0.52 0.18 1.39 -5.15 -0.93 -2.32 116.94 111.24 3kcv h PHE 202 Ca 0.15 -0.11 -0.27 0.00 -0.20 0.00 0.00 57.97 57.53 3kcv h PHE 202 Cb 0.27 -0.13 0.02 0.00 0.22 0.00 0.00 35.95 36.34 3kcv h PHE 202 CO 0.01 0.69 -1.25 0.28 -2.00 0.00 0.00 178.31 176.05 3kcv h VAL 203 N 0.40 1.28 0.00 0.88 2.07 -1.10 -0.68 116.25 119.11 3kcv h VAL 203 Ca 0.06 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 65.02 3kcv h VAL 203 Cb 0.69 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 3kcv h VAL 203 CO 0.05 0.76 0.00 0.00 0.02 0.00 0.00 177.57 178.40 3kcv h ALA 204 N 0.08 1.00 -0.01 1.67 0.00 -0.66 -2.64 119.26 118.71 3kcv h ALA 204 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kcv h ALA 204 Cb 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3kcv h ALA 204 CO 0.18 0.00 -0.19 0.43 0.00 0.00 0.00 179.25 179.67 3kcv n SER 205 N -2.35 0.89 0.00 0.00 7.64 -0.87 -4.85 113.62 114.07 3kcv n SER 205 Ca 0.04 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.08 3kcv n SER 205 Cb 0.38 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 1.30 0.52 3.69 0.23 0.00 -0.99 -5.03 105.19 104.91 3kcv n GLY 206 Ca 0.14 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 1.75 -0.24 1.61 0.08 -0.27 -4.98 117.98 113.92 3kcv s PHE 207 Ca 0.00 1.74 -0.09 0.00 0.12 0.00 0.00 56.93 58.70 3kcv s PHE 207 Cb 0.00 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 39.03 3kcv s PHE 207 CO 0.00 -2.76 0.12 -1.21 -0.10 0.00 0.00 175.22 171.27 3kcv s GLU 208 N -4.46 3.87 -0.16 0.44 0.41 -0.82 -4.83 118.70 113.15 3kcv s GLU 208 Ca 0.69 -0.37 0.00 0.00 -0.41 0.00 0.00 54.97 54.88 3kcv s GLU 208 Cb -0.25 -3.43 0.03 0.00 -1.78 0.00 0.00 34.13 28.70 3kcv s GLU 208 CO 0.55 -0.05 -0.12 -1.58 -0.49 0.00 0.00 175.26 173.57 3kcv s HIS 209 N 1.31 2.16 0.24 1.61 5.65 -1.26 -3.63 115.29 121.37 3kcv s HIS 209 Ca 0.06 -1.30 -0.05 0.00 0.25 0.00 0.00 55.06 54.02 3kcv s HIS 209 Cb -0.15 -1.56 0.33 0.00 -1.18 0.00 0.00 32.58 30.03 3kcv s HIS 209 CO 0.05 -0.68 1.85 0.66 -0.65 0.00 0.00 174.74 175.98 3kcv h SER 210 N 8.04 0.85 -0.16 9.88 4.64 -1.93 -1.26 113.55 133.61 3kcv h SER 210 Ca -0.33 0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 60.80 3kcv h SER 210 Cb 1.12 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 63.05 3kcv h SER 210 CO 0.49 0.54 -0.70 0.40 -0.87 0.00 0.00 176.83 176.70 3kcv h ILE 211 N 0.98 1.28 -0.41 0.95 1.08 -1.97 -1.92 117.51 117.51 3kcv h ILE 211 Ca 0.38 -1.90 0.04 0.00 -0.39 0.00 0.00 64.86 62.98 3kcv h ILE 211 Cb 0.17 1.87 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 3kcv h ILE 211 CO -0.17 0.61 0.18 0.00 -0.69 0.00 0.00 178.15 178.08 3kcv h ALA 212 N 0.63 0.50 -0.83 1.87 0.00 -1.84 -1.55 119.26 118.04 3kcv h ALA 212 Ca -0.03 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.06 3kcv h ALA 212 Cb 1.32 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 3kcv h ALA 212 CO 0.15 -0.19 0.55 -0.91 0.00 0.00 0.00 179.25 178.85 3kcv h ASN 213 N 0.38 0.50 -0.01 0.00 2.35 -1.00 -0.85 115.58 116.95 3kcv h ASN 213 Ca 0.18 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3kcv h ASN 213 Cb 0.11 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 3kcv h ASN 213 CO -0.14 0.25 0.12 0.24 -1.65 0.00 0.00 177.43 176.25 3kcv h MET 214 N 0.53 0.00 0.00 0.81 2.86 -0.46 -1.67 114.93 116.99 3kcv h MET 214 Ca 0.42 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.62 3kcv h MET 214 Cb 0.84 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.44 3kcv h MET 214 CO -0.16 0.00 -2.45 0.34 1.06 0.00 0.00 176.91 175.70 3kcv n PHE 215 N -3.08 0.01 -0.03 -0.22 7.35 -0.41 -4.41 117.46 116.67 3kcv n PHE 215 Ca -0.02 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.58 3kcv n PHE 215 Cb 0.19 -0.97 -0.03 0.00 0.35 0.00 0.00 39.48 39.02 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 0.03 -0.01 -4.13 4.05 -0.69 -0.60 114.93 112.57 3kcv h MET 216 Ca -0.66 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.75 3kcv h MET 216 Cb 1.58 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.37 3kcv h MET 216 CO -0.40 0.02 -0.03 0.82 0.23 0.00 0.00 176.91 177.55 3kcv h ILE 217 N 0.03 1.46 -0.90 1.77 2.04 -1.60 -1.47 117.51 118.84 3kcv h ILE 217 Ca 0.09 -1.40 0.19 0.00 1.00 0.00 0.00 64.86 64.73 3kcv h ILE 217 Cb 0.12 2.38 -0.07 0.00 -0.74 0.00 0.00 36.82 38.51 3kcv h ILE 217 CO -0.17 0.37 0.59 -0.65 0.00 0.00 0.00 178.15 178.29 3kcv h PRO 218 N -0.53 0.48 -0.42 2.37 0.11 -1.73 -0.47 132.00 131.82 3kcv h PRO 218 Ca -0.00 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.95 3kcv h PRO 218 Cb 0.62 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3kcv h PRO 218 CO 0.01 0.32 -0.26 1.98 -0.21 0.00 0.00 178.00 179.83 3kcv h MET 219 N 0.49 0.90 -0.98 1.05 4.05 -0.92 -0.64 114.93 118.88 3kcv h MET 219 Ca 0.47 -0.40 0.06 0.00 -0.28 0.00 0.00 59.70 59.55 3kcv h MET 219 Cb 1.04 -0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.75 3kcv h MET 219 CO -0.20 1.05 0.63 0.78 0.23 0.00 0.00 176.91 179.40 3kcv h GLY 220 N 0.89 1.48 0.71 1.39 0.00 -0.37 -2.13 103.07 105.05 3kcv h GLY 220 Ca 0.09 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3kcv h GLY 220 CO 0.07 0.33 -0.15 -2.22 0.00 0.00 0.00 176.54 174.56 3kcv h ILE 221 N 1.14 1.36 -0.31 2.60 2.04 -0.54 0.01 117.51 123.81 3kcv h ILE 221 Ca 0.42 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3kcv h ILE 221 Cb 0.16 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3kcv h ILE 221 CO -0.17 0.39 0.21 0.58 0.00 0.00 0.00 178.15 179.16 3kcv h VAL 222 N -0.08 1.08 -0.58 1.67 2.07 -1.11 0.11 116.25 119.41 3kcv h VAL 222 Ca 0.02 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3kcv h VAL 222 Cb 0.70 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3kcv h VAL 222 CO 0.04 0.08 0.34 0.40 0.02 0.00 0.00 177.57 178.45 3kcv h ILE 223 N 0.42 1.17 0.00 4.57 2.04 -1.33 0.04 117.51 124.42 3kcv h ILE 223 Ca 0.11 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 3kcv h ILE 223 Cb -0.05 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3kcv h ILE 223 CO -0.02 0.18 -0.20 -0.09 0.00 0.00 0.00 178.15 178.02 3kcv h ARG 224 N 0.78 0.00 -0.21 2.37 1.12 -0.79 0.48 114.38 118.13 3kcv h ARG 224 Ca 0.21 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.08 3kcv h ARG 224 Cb -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 3kcv h ARG 224 CO -0.04 0.20 0.00 -0.25 -3.11 0.00 0.00 179.97 176.77 3kcv n ASP 225 N -3.48 2.90 0.00 -3.80 9.92 0.36 -4.65 116.55 117.79 3kcv n ASP 225 Ca -0.01 -1.86 0.00 0.00 -0.53 0.00 0.00 54.79 52.40 3kcv n ASP 225 Cb 0.36 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 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 1.11 0.00 -1.69 1.24 3.72 -0.06 -5.02 117.46 116.77 3kcv n PHE 226 Ca 0.14 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.10 3kcv n PHE 226 Cb 0.50 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 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 0.00 1.71 -0.69 4.37 0.00 0.16 -4.90 120.51 121.16 3kcv n ALA 227 Ca 0.00 0.42 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 3kcv n ALA 227 Cb 0.00 -2.37 0.17 0.00 0.00 0.00 0.00 19.45 17.24 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 2.90 -1.04 0.06 0.00 3.41 -1.26 -4.76 113.62 112.93 3kcv n SER 228 Ca 0.14 0.25 0.01 0.00 -0.26 0.00 0.00 58.87 59.01 3kcv n SER 228 Cb 0.32 -1.31 0.33 0.00 -0.26 0.00 0.00 64.21 63.29 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 -1.92 0.38 -0.98 4.33 0.11 -2.00 -1.75 132.00 130.17 3kcv h PRO 229 Ca -0.47 -0.09 0.10 0.00 0.11 0.00 0.00 66.00 65.65 3kcv h PRO 229 Cb 1.29 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 3kcv h PRO 229 CO 0.40 0.48 0.63 0.93 -0.21 0.00 0.00 178.00 180.23 3kcv h GLU 230 N 0.36 1.01 0.00 1.05 3.07 -1.98 -1.16 114.58 116.93 3kcv h GLU 230 Ca 0.07 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3kcv h GLU 230 Cb 0.39 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3kcv h GLU 230 CO 0.02 0.67 0.00 0.34 -1.40 0.00 0.00 179.01 178.64 3kcv n PHE 231 N -4.56 0.00 -0.47 4.33 7.35 -0.69 -0.72 117.46 122.71 3kcv n PHE 231 Ca 0.17 0.00 0.38 0.00 -0.76 0.00 0.00 57.45 57.24 3kcv n PHE 231 Cb 0.28 -0.30 0.67 0.00 0.35 0.00 0.00 39.48 40.49 3kcv n PHE 231 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 3kcv h TRP 232 N 0.00 0.45 0.19 -5.13 -0.00 -1.29 0.59 115.95 110.76 3kcv h TRP 232 Ca 0.00 0.02 -0.31 0.00 -0.00 0.00 0.00 58.89 58.60 3kcv h TRP 232 Cb 0.00 -0.11 0.03 0.00 -0.00 0.00 0.00 29.16 29.08 3kcv h TRP 232 CO 0.09 -0.18 -1.36 1.15 -0.00 0.00 0.00 178.44 178.14 3kcv h THR 233 N 0.08 1.32 -0.25 1.49 2.02 -1.19 -1.11 112.91 115.27 3kcv h THR 233 Ca 0.82 -2.68 -0.15 0.00 0.77 0.00 0.00 66.41 65.17 3kcv h THR 233 Cb 2.67 2.91 -0.01 0.00 -1.74 0.00 0.00 68.15 71.99 3kcv h THR 233 CO -0.37 0.80 -0.46 0.00 0.37 0.00 0.00 175.52 175.87 3kcv h ALA 234 N 0.28 0.73 0.00 6.16 0.00 0.24 -3.09 119.26 123.58 3kcv h ALA 234 Ca -0.21 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 3kcv h ALA 234 Cb 2.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 3kcv h ALA 234 CO 0.25 0.67 -0.36 -0.39 0.00 0.00 0.00 179.25 179.42 3kcv h VAL 235 N 0.51 0.22 -2.26 0.00 -1.51 -1.30 -3.48 116.25 108.43 3kcv h VAL 235 Ca 0.03 -1.33 -0.07 0.00 -1.23 0.00 0.00 66.70 64.10 3kcv h VAL 235 Cb 1.00 2.01 0.03 0.00 -2.13 0.00 0.00 31.29 32.20 3kcv h VAL 235 CO 0.09 0.13 -0.14 0.61 -1.23 0.00 0.00 177.57 177.03 3kcv n GLY 236 N 1.16 0.51 0.00 5.19 0.00 -0.61 -5.04 105.19 106.40 3kcv n GLY 236 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.23 0.00 -3.55 1.61 2.88 -0.52 -5.04 113.62 108.77 3kcv n SER 237 Ca -0.02 -0.56 -0.15 0.00 -1.33 0.00 0.00 58.87 56.81 3kcv n SER 237 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 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 -1.54 -1.82 0.26 -1.46 0.00 -1.26 -4.63 121.76 111.31 3kcv s ALA 238 Ca 0.00 1.45 0.09 0.00 0.00 0.00 0.00 51.96 53.50 3kcv s ALA 238 Cb 0.00 -0.31 0.82 0.00 0.00 0.00 0.00 23.12 23.63 3kcv s ALA 238 CO 0.00 -0.35 1.20 -2.30 0.00 0.00 0.00 175.76 174.31 3kcv n PRO 239 N 1.01 -0.05 0.12 0.00 -0.02 -1.26 -0.70 135.00 134.09 3kcv n PRO 239 Ca -0.16 1.09 0.12 0.00 -2.02 0.00 0.00 63.50 62.53 3kcv n PRO 239 Cb 0.57 -1.86 0.46 0.00 -0.02 0.00 0.00 33.50 32.66 3kcv n PRO 239 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kcv n GLU 240 N -4.88 0.21 0.07 -0.52 4.71 -1.26 -1.14 120.64 117.83 3kcv n GLU 240 Ca 0.24 0.35 0.11 0.00 -0.01 0.00 0.00 57.16 57.85 3kcv n GLU 240 Cb 0.80 -1.84 0.45 0.00 -1.01 0.00 0.00 31.44 29.83 3kcv n GLU 240 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 3kcv n ASN 241 N -2.23 0.41 -2.64 1.62 2.85 0.12 -3.10 115.26 112.29 3kcv n ASN 241 Ca 0.03 0.57 -0.08 0.00 -0.11 0.00 0.00 54.58 55.00 3kcv n ASN 241 Cb 0.30 -0.67 0.04 0.00 1.24 0.00 0.00 39.78 40.68 3kcv n ASN 241 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3kcv n PHE 242 N -1.92 1.63 0.25 1.20 3.72 -0.29 -4.89 117.46 117.15 3kcv n PHE 242 Ca 0.04 -2.38 0.18 0.00 -0.05 0.00 0.00 57.45 55.24 3kcv n PHE 242 Cb 0.28 -0.27 0.87 0.00 -0.94 0.00 0.00 39.48 39.41 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 2.63 0.00 0.92 4.37 4.64 -1.44 -2.25 113.55 122.42 3kcv h SER 243 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3kcv h SER 243 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3kcv h SER 243 CO 0.40 0.00 -0.74 0.45 -0.87 0.00 0.00 176.83 176.07 3kcv h HIS 244 N 0.00 0.00 -0.34 4.77 3.86 -1.90 -3.43 115.15 118.11 3kcv h HIS 244 Ca 0.07 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.05 3kcv h HIS 244 Cb 0.58 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.02 3kcv h HIS 244 CO 0.00 0.00 0.74 1.28 0.86 0.00 0.00 177.93 180.81 3kcv n LEU 245 N -2.31 2.52 -3.96 2.43 4.77 -0.85 -4.75 117.00 114.86 3kcv n LEU 245 Ca 0.02 -2.96 -0.12 0.00 -0.03 0.00 0.00 56.01 52.92 3kcv n LEU 245 Cb 0.48 -1.74 -0.13 0.00 -2.33 0.00 0.00 43.42 39.70 3kcv n LEU 245 CO 0.38 -2.42 -0.38 0.42 -1.33 0.00 0.00 177.39 174.05 3kcv s THR 246 N 13.12 0.23 0.27 -5.08 -4.23 -1.26 -4.80 115.64 113.89 3kcv s THR 246 Ca 0.73 -0.51 -0.03 0.00 -1.18 0.00 0.00 61.69 60.69 3kcv s THR 246 Cb -0.02 -0.27 0.31 0.00 1.34 0.00 0.00 72.50 73.86 3kcv s THR 246 CO 0.15 -0.18 1.63 0.58 -0.54 0.00 0.00 174.62 176.26 3kcv h VAL 247 N 4.86 0.28 -0.43 2.29 2.07 -1.98 -0.37 116.25 122.96 3kcv h VAL 247 Ca -0.29 -0.04 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 3kcv h VAL 247 Cb 1.20 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3kcv h VAL 247 CO 0.46 0.02 -0.30 -0.03 0.02 0.00 0.00 177.57 177.74 3kcv h MET 248 N 0.11 0.97 -0.45 1.57 4.05 -1.97 -1.41 114.93 117.80 3kcv h MET 248 Ca 0.48 -0.46 0.09 0.00 -0.28 0.00 0.00 59.70 59.52 3kcv h MET 248 Cb 0.89 -0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 31.60 3kcv h MET 248 CO -0.71 1.13 -0.16 -0.91 0.23 0.00 0.00 176.91 176.49 3kcv h ASN 249 N 0.81 -0.57 0.03 1.39 2.35 -1.42 -0.88 115.58 117.30 3kcv h ASN 249 Ca 0.09 0.15 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3kcv h ASN 249 Cb 0.89 0.34 -0.02 0.00 0.05 0.00 0.00 38.32 39.58 3kcv h ASN 249 CO 0.08 -0.20 -0.09 0.15 -1.65 0.00 0.00 177.43 175.72 3kcv h PHE 250 N -0.06 -0.24 -0.24 1.19 3.57 -0.78 0.18 116.94 120.56 3kcv h PHE 250 Ca 0.22 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3kcv h PHE 250 Cb 0.39 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3kcv h PHE 250 CO -0.43 -0.15 0.11 0.82 -2.23 0.00 0.00 178.31 176.44 3kcv h ILE 251 N -0.18 1.15 0.14 1.41 2.04 -1.10 0.31 117.51 121.28 3kcv h ILE 251 Ca 0.03 -0.43 -0.28 0.00 1.00 0.00 0.00 64.86 65.17 3kcv h ILE 251 Cb 0.21 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3kcv h ILE 251 CO -0.07 0.15 -1.39 0.71 0.00 0.00 0.00 178.15 177.55 3kcv h THR 252 N 0.25 1.09 -0.00 -0.27 1.35 -1.07 -1.24 112.91 113.03 3kcv h THR 252 Ca 0.08 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 3kcv h THR 252 Cb 0.13 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 3kcv h THR 252 CO -0.01 0.74 -0.30 0.47 -0.25 0.00 0.00 175.52 176.17 3kcv n ASP 253 N -3.88 0.45 0.07 5.36 10.43 0.63 -4.52 116.55 125.09 3kcv n ASP 253 Ca -0.23 -0.22 0.00 0.00 2.57 0.00 0.00 54.79 56.91 3kcv n ASP 253 Cb 0.93 0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.91 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 -1.31 0.20 -0.19 -2.24 2.85 -0.90 -4.64 115.26 109.04 3kcv n ASN 254 Ca 0.08 0.24 -0.02 0.00 -0.11 0.00 0.00 54.58 54.78 3kcv n ASN 254 Cb 0.33 0.09 0.09 0.00 1.24 0.00 0.00 39.78 41.53 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 0.32 0.73 1.20 5.85 -0.87 0.86 115.31 123.40 3kcv h LEU 255 Ca 0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3kcv h LEU 255 Cb 0.00 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.04 3kcv h LEU 255 CO 0.00 0.20 -0.37 0.40 -0.34 0.00 0.00 178.44 178.34 3kcv h ILE 256 N 0.48 0.00 -0.09 4.05 2.04 -1.46 -0.52 117.51 122.01 3kcv h ILE 256 Ca 0.28 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.07 3kcv h ILE 256 Cb 0.27 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3kcv h ILE 256 CO -0.24 0.00 -0.27 -0.65 0.00 0.00 0.00 178.15 176.99 3kcv h PRO 257 N -1.00 0.15 -0.26 2.37 0.11 -1.75 -1.76 132.00 129.87 3kcv h PRO 257 Ca -0.10 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.84 3kcv h PRO 257 Cb 0.77 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 3kcv h PRO 257 CO 0.16 0.42 -0.30 0.28 -0.21 0.00 0.00 178.00 178.35 3kcv h VAL 258 N 0.14 1.31 -0.94 3.15 2.07 -0.88 -1.11 116.25 119.99 3kcv h VAL 258 Ca 0.02 -1.48 0.05 0.00 0.82 0.00 0.00 66.70 66.11 3kcv h VAL 258 Cb 0.56 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 3kcv h VAL 258 CO 0.04 0.47 0.61 0.00 0.02 0.00 0.00 177.57 178.70 3kcv h THR 259 N 0.38 1.12 -0.01 2.57 1.03 -0.76 0.99 112.91 118.23 3kcv h THR 259 Ca 0.04 -0.39 -0.00 0.00 -0.01 0.00 0.00 66.41 66.04 3kcv h THR 259 Cb 0.87 -0.12 -0.00 0.00 -1.07 0.00 0.00 68.15 67.83 3kcv h THR 259 CO 0.07 0.21 -0.01 0.40 -0.01 0.00 0.00 175.52 176.18 3kcv h ILE 260 N 1.15 1.38 -0.94 0.00 2.04 -1.18 -1.05 117.51 118.90 3kcv h ILE 260 Ca 0.39 -1.13 0.18 0.00 1.00 0.00 0.00 64.86 65.29 3kcv h ILE 260 Cb 0.07 2.12 -0.08 0.00 -0.74 0.00 0.00 36.82 38.19 3kcv h ILE 260 CO -0.14 0.30 0.60 1.23 0.00 0.00 0.00 178.15 180.14 3kcv h GLY 261 N -0.44 1.32 0.95 5.37 0.00 -0.99 -0.53 103.07 108.75 3kcv h GLY 261 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3kcv h GLY 261 CO 0.00 0.02 0.14 3.43 0.00 0.00 0.00 176.54 180.13 3kcv h ASN 262 N 0.65 0.33 -0.60 0.19 -0.26 -0.13 0.91 115.58 116.66 3kcv h ASN 262 Ca 0.50 -0.09 -0.04 0.00 -0.56 0.00 0.00 56.30 56.11 3kcv h ASN 262 Cb 0.91 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 38.06 3kcv h ASN 262 CO -0.26 0.32 0.23 0.40 -1.06 0.00 0.00 177.43 177.07 3kcv h ILE 263 N 0.31 1.23 0.00 2.81 2.04 -0.09 -0.12 117.51 123.69 3kcv h ILE 263 Ca 0.09 -0.74 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 3kcv h ILE 263 Cb 0.07 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3kcv h ILE 263 CO -0.01 0.29 -0.39 0.40 0.00 0.00 0.00 178.15 178.44 3kcv h ILE 264 N 0.92 1.09 -0.15 -0.67 2.04 -0.84 0.12 117.51 120.02 3kcv h ILE 264 Ca 0.21 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 3kcv h ILE 264 Cb 0.21 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3kcv h ILE 264 CO -0.02 0.38 0.07 1.23 0.00 0.00 0.00 178.15 179.82 3kcv h GLY 265 N 1.54 0.21 0.08 5.37 0.00 0.98 -0.10 103.07 111.16 3kcv h GLY 265 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 3kcv h GLY 265 CO 0.05 0.08 -0.11 -1.33 0.00 0.00 0.00 176.54 175.23 3kcv h GLY 266 N 0.27 0.04 0.46 4.60 0.00 -0.67 -3.27 103.07 104.50 3kcv h GLY 266 Ca 0.05 -0.11 0.11 0.00 0.00 0.00 0.00 47.33 47.38 3kcv h GLY 266 CO -0.01 0.09 0.50 -1.33 0.00 0.00 0.00 176.54 175.80 3kcv h GLY 267 N -0.92 1.39 0.23 4.60 0.00 -0.63 0.03 103.07 107.77 3kcv h GLY 267 Ca -0.02 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.00 3kcv h GLY 267 CO 0.02 0.11 -0.46 1.41 0.00 0.00 0.00 176.54 177.62 3kcv h LEU 268 N 0.81 -1.35 -0.57 3.11 3.38 -1.20 0.64 115.31 120.13 3kcv h LEU 268 Ca 0.43 0.15 -0.11 0.00 0.09 0.00 0.00 57.88 58.44 3kcv h LEU 268 Cb 0.44 0.50 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3kcv h LEU 268 CO -0.27 -0.52 -0.11 -0.07 0.09 0.00 0.00 178.44 177.57 3kcv h LEU 269 N -0.70 1.03 -0.45 1.67 3.38 -1.48 -1.19 115.31 117.58 3kcv h LEU 269 Ca 0.01 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3kcv h LEU 269 Cb 0.71 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3kcv h LEU 269 CO -0.25 1.14 0.27 0.58 0.09 0.00 0.00 178.44 180.27 3kcv h VAL 270 N 0.92 1.14 0.68 1.22 2.07 -1.00 0.23 116.25 121.51 3kcv h VAL 270 Ca 0.14 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3kcv h VAL 270 Cb 0.67 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3kcv h VAL 270 CO 0.05 0.14 -0.49 1.23 0.02 0.00 0.00 177.57 178.51 3kcv h GLY 271 N 0.60 -1.30 0.90 2.17 0.00 -0.56 0.62 103.07 105.49 3kcv h GLY 271 Ca 0.16 0.56 0.03 0.00 0.00 0.00 0.00 47.33 48.08 3kcv h GLY 271 CO -0.03 -0.42 0.58 -2.00 0.00 0.00 0.00 176.54 174.66 3kcv h LEU 272 N -1.13 0.97 0.91 3.11 5.85 -1.19 -2.35 115.31 121.48 3kcv h LEU 272 Ca -0.09 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3kcv h LEU 272 Cb 0.93 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.74 3kcv h LEU 272 CO 0.04 0.67 -0.47 0.74 -0.34 0.00 0.00 178.44 179.08 3kcv h THR 273 N 1.13 0.04 -0.97 1.05 2.02 -0.39 -1.53 112.91 114.27 3kcv h THR 273 Ca 0.35 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.74 3kcv h THR 273 Cb -0.02 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 66.35 3kcv h THR 273 CO -0.11 0.00 0.62 0.22 0.37 0.00 0.00 175.52 176.62 3kcv h TYR 274 N -1.27 0.75 0.11 3.16 3.20 -0.66 -0.78 116.97 121.49 3kcv h TYR 274 Ca -0.12 0.02 -0.35 0.00 3.14 0.00 0.00 58.73 61.42 3kcv h TYR 274 Cb 0.99 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 3kcv h TYR 274 CO -0.04 0.16 -1.92 -1.49 -1.64 0.00 0.00 178.16 173.24 3kcv h TRP 275 N 0.54 0.44 -0.98 -3.82 4.06 -1.34 -0.45 115.95 114.40 3kcv h TRP 275 Ca 0.53 -0.32 0.33 0.00 2.06 0.00 0.00 58.89 61.49 3kcv h TRP 275 Cb 1.14 -0.02 -0.17 0.00 -1.00 0.00 0.00 29.16 29.11 3kcv h TRP 275 CO -0.00 1.65 0.32 0.28 -3.56 0.00 0.00 178.44 177.13 3kcv h VAL 276 N 0.07 0.10 -0.01 1.49 2.07 -1.21 0.45 116.25 119.20 3kcv h VAL 276 Ca -0.39 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3kcv h VAL 276 Cb 2.04 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3kcv h VAL 276 CO 0.10 0.01 -0.01 0.40 0.02 0.00 0.00 177.57 178.10 3kcv h ILE 277 N 0.08 1.34 -0.05 4.57 2.04 -1.02 -3.26 117.51 121.21 3kcv h ILE 277 Ca 0.70 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3kcv h ILE 277 Cb 1.65 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.72 3kcv h ILE 277 CO -0.78 0.27 0.00 0.00 0.00 0.00 0.00 178.15 177.63 3kcv n TYR 278 N -4.86 0.06 -1.20 1.37 9.36 -0.19 -3.42 117.16 118.29 3kcv n TYR 278 Ca -0.08 -0.03 -0.23 0.00 3.32 0.00 0.00 57.90 60.88 3kcv n TYR 278 Cb 0.23 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.94 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 -0.45 6.62 -0.39 2.98 4.77 0.03 -5.03 117.00 125.54 3kcv n LEU 279 Ca 0.08 -3.74 0.14 0.00 -0.03 0.00 0.00 56.01 52.46 3kcv n LEU 279 Cb 0.08 -1.12 0.61 0.00 -2.33 0.00 0.00 43.42 40.66 3kcv n LEU 279 CO 0.06 1.46 0.92 0.54 -1.33 0.00 0.00 177.39 179.04