#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 -0.64 0.57 2.13 5.65 -1.26 -4.99 115.29 116.75 3kcv s HIS 30 Ca 0.00 1.51 0.28 0.00 0.25 0.00 0.00 55.06 57.11 3kcv s HIS 30 Cb 0.00 0.24 1.48 0.00 -1.18 0.00 0.00 32.58 33.12 3kcv s HIS 30 CO 0.00 -0.35 1.94 -1.35 -0.65 0.00 0.00 174.74 174.33 3kcv h PRO 31 N 4.93 0.00 -0.12 2.88 0.11 -2.04 -1.13 132.00 136.63 3kcv h PRO 31 Ca -0.28 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.61 3kcv h PRO 31 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 3kcv h PRO 31 CO 0.16 0.00 -0.78 -0.07 -0.21 0.00 0.00 178.00 177.10 3kcv h LEU 32 N 0.00 0.89 -0.02 2.35 4.07 -1.98 -1.05 115.31 119.57 3kcv h LEU 32 Ca 0.24 -0.65 -0.00 0.00 0.08 0.00 0.00 57.88 57.55 3kcv h LEU 32 Cb 1.15 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.62 3kcv h LEU 32 CO -0.00 1.40 0.01 0.50 -1.08 0.00 0.00 178.44 179.27 3kcv h LYS 33 N 0.45 0.04 -0.50 1.13 3.64 -1.66 -1.55 116.57 118.12 3kcv h LYS 33 Ca -0.06 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3kcv h LYS 33 Cb 1.42 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.21 3kcv h LYS 33 CO 0.16 0.26 0.28 1.15 -2.27 0.00 0.00 179.45 179.03 3kcv h THR 34 N -0.19 1.17 0.01 1.00 2.02 -1.31 -0.97 112.91 114.64 3kcv h THR 34 Ca 0.01 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.77 3kcv h THR 34 Cb 0.24 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3kcv h THR 34 CO 0.00 0.18 -0.07 0.15 0.37 0.00 0.00 175.52 176.15 3kcv h PHE 35 N 0.67 -0.20 -0.77 3.16 3.57 -1.22 0.88 116.94 123.03 3kcv h PHE 35 Ca 0.18 0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.87 3kcv h PHE 35 Cb 0.03 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 3kcv h PHE 35 CO -0.02 -0.07 0.53 1.88 -2.23 0.00 0.00 178.31 178.39 3kcv h TYR 36 N -0.09 0.26 -0.55 0.41 0.05 -1.06 1.33 116.97 117.32 3kcv h TYR 36 Ca 0.00 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 3kcv h TYR 36 Cb 0.09 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 3kcv h TYR 36 CO -0.35 0.08 -0.08 -0.07 -1.05 0.00 0.00 178.16 176.70 3kcv h LEU 37 N 0.21 1.01 0.02 3.88 3.38 -1.01 -0.66 115.31 122.14 3kcv h LEU 37 Ca 0.38 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kcv h LEU 37 Cb 1.18 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3kcv h LEU 37 CO -0.08 1.12 -0.01 0.00 0.09 0.00 0.00 178.44 179.56 3kcv h ALA 38 N 0.93 -0.03 -0.76 1.53 0.00 0.42 -1.38 119.26 119.97 3kcv h ALA 38 Ca 0.14 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.13 3kcv h ALA 38 Cb 0.64 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 3kcv h ALA 38 CO 0.04 -0.47 0.34 0.82 0.00 0.00 0.00 179.25 179.99 3kcv h ILE 39 N -0.13 0.71 -0.89 0.00 2.04 -0.88 -1.11 117.51 117.26 3kcv h ILE 39 Ca -0.00 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3kcv h ILE 39 Cb 0.12 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 3kcv h ILE 39 CO 0.00 0.09 0.58 0.74 0.00 0.00 0.00 178.15 179.57 3kcv h THR 40 N 0.51 1.20 -0.59 -0.27 2.02 -0.87 -1.64 112.91 113.26 3kcv h THR 40 Ca 0.41 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 3kcv h THR 40 Cb 0.58 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 3kcv h THR 40 CO -0.37 0.21 0.29 0.00 0.37 0.00 0.00 175.52 176.03 3kcv h ALA 41 N 1.34 0.76 -0.87 6.16 0.00 -0.31 0.13 119.26 126.48 3kcv h ALA 41 Ca 0.34 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3kcv h ALA 41 Cb -0.09 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 3kcv h ALA 41 CO -0.09 0.32 0.57 0.78 0.00 0.00 0.00 179.25 180.83 3kcv h GLY 42 N 0.81 1.24 0.84 0.00 0.00 -0.83 0.20 103.07 105.33 3kcv h GLY 42 Ca 0.21 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3kcv h GLY 42 CO -0.03 0.39 -0.14 -2.08 0.00 0.00 0.00 176.54 174.69 3kcv h VAL 43 N 1.12 0.75 -0.57 4.60 2.07 -1.05 -2.28 116.25 120.89 3kcv h VAL 43 Ca 0.34 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.57 3kcv h VAL 43 Cb -0.03 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3kcv h VAL 43 CO -0.09 0.07 0.38 -0.26 0.02 0.00 0.00 177.57 177.68 3kcv h PHE 44 N -0.55 0.63 -0.48 1.57 0.04 -0.14 -0.22 116.94 117.79 3kcv h PHE 44 Ca -0.04 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.61 3kcv h PHE 44 Cb 0.41 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3kcv h PHE 44 CO -0.01 0.36 -0.23 0.97 -0.60 0.00 0.00 178.31 178.80 3kcv h ILE 45 N 0.65 1.27 -0.21 -0.55 6.09 -0.59 -1.74 117.51 122.42 3kcv h ILE 45 Ca 0.23 -1.40 0.01 0.00 -1.37 0.00 0.00 64.86 62.33 3kcv h ILE 45 Cb 0.10 1.14 -0.02 0.00 0.47 0.00 0.00 36.82 38.51 3kcv h ILE 45 CO -0.06 0.48 0.11 0.28 -3.07 0.00 0.00 178.15 175.89 3kcv h SER 46 N 0.86 0.18 -0.81 2.19 0.02 -0.79 -2.04 113.55 113.16 3kcv h SER 46 Ca 0.11 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.19 3kcv h SER 46 Cb 0.81 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.24 3kcv h SER 46 CO 0.07 0.13 0.42 0.40 -1.14 0.00 0.00 176.83 176.71 3kcv h ILE 47 N 0.24 0.79 0.15 3.27 2.04 -0.89 0.66 117.51 123.77 3kcv h ILE 47 Ca 0.08 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.74 3kcv h ILE 47 Cb 0.01 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.14 3kcv h ILE 47 CO -0.05 0.12 -0.35 0.00 0.00 0.00 0.00 178.15 177.87 3kcv h ALA 48 N 1.51 -0.62 -0.22 1.87 0.00 -0.89 -1.62 119.26 119.28 3kcv h ALA 48 Ca 0.42 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 3kcv h ALA 48 Cb 0.52 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3kcv h ALA 48 CO -0.32 -0.91 -0.20 0.35 0.00 0.00 0.00 179.25 178.18 3kcv h PHE 49 N -0.60 0.42 -0.36 0.00 3.04 -0.66 -1.93 116.94 116.85 3kcv h PHE 49 Ca 0.02 -0.07 0.01 0.00 3.98 0.00 0.00 57.97 61.91 3kcv h PHE 49 Cb 0.62 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.00 3kcv h PHE 49 CO -0.29 0.57 0.23 0.28 -2.02 0.00 0.00 178.31 177.07 3kcv h VAL 50 N 0.35 1.08 -0.57 1.41 2.07 -0.68 -1.01 116.25 118.90 3kcv h VAL 50 Ca 0.06 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.52 3kcv h VAL 50 Cb 0.55 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 3kcv h VAL 50 CO 0.04 0.09 0.10 0.15 0.02 0.00 0.00 177.57 177.97 3kcv h PHE 51 N 0.47 0.16 -0.82 1.57 3.04 -0.67 0.52 116.94 121.21 3kcv h PHE 51 Ca 0.14 0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.14 3kcv h PHE 51 Cb -0.04 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.44 3kcv h PHE 51 CO -0.06 -0.04 0.54 -0.92 -2.02 0.00 0.00 178.31 175.81 3kcv h TYR 52 N 0.23 1.02 -0.19 0.41 3.20 -0.81 0.63 116.97 121.46 3kcv h TYR 52 Ca 0.29 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 3kcv h TYR 52 Cb 0.43 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 3kcv h TYR 52 CO -0.26 0.62 -0.12 0.82 -1.64 0.00 0.00 178.16 177.59 3kcv h ILE 53 N 1.09 1.32 -0.08 1.81 5.03 -0.72 -1.83 117.51 124.13 3kcv h ILE 53 Ca 0.31 -1.22 0.02 0.00 -0.12 0.00 0.00 64.86 63.85 3kcv h ILE 53 Cb -0.09 1.71 -0.00 0.00 -3.03 0.00 0.00 36.82 35.40 3kcv h ILE 53 CO -0.08 0.37 0.07 0.74 -0.68 0.00 0.00 178.15 178.56 3kcv h THR 54 N 0.10 0.76 0.00 -0.27 2.02 -0.24 -1.41 112.91 113.86 3kcv h THR 54 Ca 0.04 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.97 3kcv h THR 54 Cb 0.63 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3kcv h THR 54 CO 0.03 0.00 -1.54 0.00 0.37 0.00 0.00 175.52 174.39 3kcv h ALA 55 N 1.94 0.71 0.00 6.16 0.00 -0.78 -3.37 119.26 123.91 3kcv h ALA 55 Ca 0.04 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.70 3kcv h ALA 55 Cb 0.17 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kcv h ALA 55 CO -0.00 1.38 -0.90 0.25 0.00 0.00 0.00 179.25 179.97 3kcv n THR 56 N -3.04 0.09 -1.68 0.00 -2.24 -0.70 -4.88 114.28 101.83 3kcv n THR 56 Ca -0.13 -0.13 -0.49 0.00 -2.27 0.00 0.00 64.05 61.03 3kcv n THR 56 Cb 0.98 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.75 0.56 -0.29 4.28 -1.04 -0.60 -1.99 114.28 113.46 3kcv n THR 57 Ca 0.03 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3kcv n THR 57 Cb 0.39 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 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 4.46 0.84 2.00 3.41 0.00 -1.26 -4.97 105.19 109.67 3kcv n GLY 58 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.27 3.11 0.25 2.61 -2.24 -0.84 -4.41 114.28 110.49 3kcv n THR 59 Ca 0.00 -2.42 0.13 0.00 -2.27 0.00 0.00 64.05 59.49 3kcv n THR 59 Cb 0.00 -0.60 0.57 0.00 -2.10 0.00 0.00 70.33 68.20 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 1.25 0.00 1.48 3.38 0.00 -1.93 -3.04 103.07 104.20 3kcv h GLY 60 Ca 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.77 3kcv h GLY 60 CO 1.02 0.00 -0.81 -0.91 0.00 0.00 0.00 176.54 175.84 3kcv h THR 61 N 0.00 0.44 -3.95 4.70 1.35 -1.99 -3.47 112.91 109.98 3kcv h THR 61 Ca -0.00 -1.72 -0.46 0.00 -0.55 0.00 0.00 66.41 63.68 3kcv h THR 61 Cb 0.62 2.05 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 3kcv h THR 61 CO 0.02 0.25 0.29 -0.04 -0.25 0.00 0.00 175.52 175.79 3kcv s MET 62 N -3.07 4.26 0.23 4.72 1.00 -1.15 -5.01 119.30 120.28 3kcv s MET 62 Ca 0.01 1.07 -0.31 0.00 0.00 0.00 0.00 55.69 56.46 3kcv s MET 62 Cb 0.08 -2.36 -0.14 0.00 0.00 0.00 0.00 34.83 32.41 3kcv s MET 62 CO 0.76 0.07 1.38 -2.30 0.00 0.00 0.00 175.02 174.94 3kcv n PRO 63 N -0.32 1.94 -0.30 2.03 -0.02 -1.26 -4.82 135.00 132.26 3kcv n PRO 63 Ca 0.05 0.69 0.05 0.00 -2.02 0.00 0.00 63.50 62.27 3kcv n PRO 63 Cb 0.53 -2.33 0.13 0.00 -0.02 0.00 0.00 33.50 31.82 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 4.09 -0.34 -0.63 6.00 3.57 -1.95 -1.53 116.94 126.15 3kcv h PHE 64 Ca -0.45 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.13 3kcv h PHE 64 Cb 1.28 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 40.28 3kcv h PHE 64 CO 0.56 -0.35 0.41 0.78 -2.23 0.00 0.00 178.31 177.48 3kcv h GLY 65 N 0.02 0.90 1.40 2.40 0.00 -1.98 -1.80 103.07 104.01 3kcv h GLY 65 Ca 0.43 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 47.23 3kcv h GLY 65 CO -0.84 0.34 -0.59 -0.33 0.00 0.00 0.00 176.54 175.12 3kcv h MET 66 N 0.86 0.62 -0.19 4.80 2.86 -1.66 0.86 114.93 123.08 3kcv h MET 66 Ca 0.23 -0.41 -0.07 0.00 -2.06 0.00 0.00 59.70 57.39 3kcv h MET 66 Cb -0.07 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 3kcv h MET 66 CO -0.05 1.03 -0.14 0.00 1.06 0.00 0.00 176.91 178.81 3kcv h ALA 67 N 0.88 0.27 -0.34 6.32 0.00 -1.32 -1.67 119.26 123.40 3kcv h ALA 67 Ca -0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3kcv h ALA 67 Cb 1.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3kcv h ALA 67 CO 0.11 0.15 -0.33 0.87 0.00 0.00 0.00 179.25 180.06 3kcv h LYS 68 N 0.11 0.76 0.12 0.00 6.56 -1.29 -1.17 116.57 121.67 3kcv h LYS 68 Ca 0.04 -0.36 -0.01 0.00 -1.06 0.00 0.00 60.65 59.26 3kcv h LYS 68 Cb 0.66 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.32 3kcv h LYS 68 CO 0.04 0.98 -0.07 1.25 -2.06 0.00 0.00 179.45 179.58 3kcv h LEU 69 N 0.64 -0.18 -1.09 2.94 5.85 -0.81 0.45 115.31 123.11 3kcv h LEU 69 Ca 0.07 0.01 0.25 0.00 0.84 0.00 0.00 57.88 59.04 3kcv h LEU 69 Cb 0.86 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.83 3kcv h LEU 69 CO 0.08 -0.11 0.62 0.58 -0.34 0.00 0.00 178.44 179.26 3kcv h VAL 70 N -0.18 0.55 -0.41 1.05 2.07 -1.34 0.14 116.25 118.13 3kcv h VAL 70 Ca -0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3kcv h VAL 70 Cb 0.15 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 3kcv h VAL 70 CO 0.02 0.10 0.27 1.23 0.02 0.00 0.00 177.57 179.21 3kcv h GLY 71 N 0.55 0.59 0.92 2.17 0.00 -1.12 -1.99 103.07 104.19 3kcv h GLY 71 Ca 0.63 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 3kcv h GLY 71 CO -0.42 0.22 0.05 -1.33 0.00 0.00 0.00 176.54 175.05 3kcv h GLY 72 N 0.56 0.13 -0.32 4.60 0.00 0.15 0.18 103.07 108.37 3kcv h GLY 72 Ca 0.15 -0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.53 3kcv h GLY 72 CO -0.03 0.06 -0.29 -2.22 0.00 0.00 0.00 176.54 174.05 3kcv h ILE 73 N 0.04 0.23 -0.06 2.60 2.04 -1.13 0.10 117.51 121.33 3kcv h ILE 73 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.91 3kcv h ILE 73 Cb 0.09 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3kcv h ILE 73 CO -0.00 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.20 3kcv h PHE 75 N 0.00 0.26 0.00 0.00 3.57 0.13 -3.18 116.94 117.72 3kcv h PHE 75 Ca 0.03 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3kcv h PHE 75 Cb 0.13 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3kcv h PHE 75 CO 0.00 1.01 0.31 0.66 -2.23 0.00 0.00 178.31 178.06 3kcv h SER 76 N 0.08 0.00 -0.93 0.41 4.64 -1.06 -1.64 113.55 115.05 3kcv h SER 76 Ca -0.05 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.29 3kcv h SER 76 Cb 1.60 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.64 3kcv h SER 76 CO 0.14 0.00 0.61 0.25 -0.87 0.00 0.00 176.83 176.96 3kcv h LEU 77 N 0.00 1.04 -1.09 5.97 7.12 -1.72 -0.35 115.31 126.28 3kcv h LEU 77 Ca 0.00 -0.02 0.02 0.00 0.13 0.00 0.00 57.88 58.01 3kcv h LEU 77 Cb 0.62 -0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 40.45 3kcv h LEU 77 CO 0.00 0.74 0.62 1.23 -0.13 0.00 0.00 178.44 180.90 3kcv h GLY 78 N 1.22 1.33 0.81 3.75 0.00 -1.49 0.15 103.07 108.84 3kcv h GLY 78 Ca 0.35 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3kcv h GLY 78 CO -0.09 0.45 -0.26 -2.00 0.00 0.00 0.00 176.54 174.64 3kcv h LEU 79 N 1.23 -0.61 -0.61 3.11 7.12 -1.47 -1.80 115.31 122.28 3kcv h LEU 79 Ca 0.35 -0.05 0.12 0.00 0.13 0.00 0.00 57.88 58.44 3kcv h LEU 79 Cb -0.08 0.16 -0.10 0.00 -0.53 0.00 0.00 40.66 40.11 3kcv h LEU 79 CO -0.09 -0.30 0.06 0.40 -0.13 0.00 0.00 178.44 178.38 3kcv h ILE 80 N -0.92 0.55 -0.49 4.05 2.04 -0.97 -1.38 117.51 120.39 3kcv h ILE 80 Ca -0.07 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 65.83 3kcv h ILE 80 Cb 0.62 0.36 -0.10 0.00 -0.74 0.00 0.00 36.82 36.96 3kcv h ILE 80 CO 0.12 0.03 -0.18 0.25 0.00 0.00 0.00 178.15 178.37 3kcv h LEU 81 N 0.18 -0.65 -0.15 1.44 5.85 -0.66 -1.06 115.31 120.26 3kcv h LEU 81 Ca 0.32 0.17 0.02 0.00 0.84 0.00 0.00 57.88 59.23 3kcv h LEU 81 Cb 0.52 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3kcv h LEU 81 CO -0.48 -0.22 0.03 0.00 -0.34 0.00 0.00 178.44 177.44 3kcv h VAL 83 N 0.09 0.00 -0.71 0.00 2.07 -1.01 0.21 116.25 116.90 3kcv h VAL 83 Ca 0.07 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.38 3kcv h VAL 83 Cb 0.06 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.76 3kcv h VAL 83 CO -0.09 0.00 0.36 0.58 0.02 0.00 0.00 177.57 178.45 3kcv h VAL 84 N -1.11 0.88 -0.00 2.57 2.07 -1.29 -0.61 116.25 118.75 3kcv h VAL 84 Ca -0.08 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3kcv h VAL 84 Cb 0.63 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3kcv h VAL 84 CO 0.14 0.12 -0.03 0.00 0.02 0.00 0.00 177.57 177.81 3kcv n GLY 86 N 1.18 0.78 3.78 0.00 0.00 -0.24 -5.03 105.19 105.67 3kcv n GLY 86 Ca 0.18 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 3kcv n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcv s ALA 87 N -2.20 2.50 -0.31 4.61 0.00 -0.05 -5.01 121.76 121.29 3kcv s ALA 87 Ca 0.00 0.46 -0.07 0.00 0.00 0.00 0.00 51.96 52.35 3kcv s ALA 87 Cb 0.00 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.85 3kcv s ALA 87 CO 0.00 -1.26 0.10 0.34 0.00 0.00 0.00 175.76 174.94 3kcv s ASP 88 N -2.79 5.24 -0.30 0.00 2.15 -1.15 -4.70 116.67 115.12 3kcv s ASP 88 Ca 0.65 -0.83 -0.05 0.00 0.43 0.00 0.00 52.55 52.75 3kcv s ASP 88 Cb -0.19 -1.89 0.03 0.00 -0.30 0.00 0.00 42.92 40.57 3kcv s ASP 88 CO 0.43 -0.24 0.04 -0.22 -0.17 0.00 0.00 175.17 175.02 3kcv s LEU 89 N 1.48 3.89 -0.02 -1.34 2.96 -1.26 -4.12 118.68 120.27 3kcv s LEU 89 Ca 0.02 -1.00 -0.03 0.00 -0.22 0.00 0.00 54.13 52.90 3kcv s LEU 89 Cb -0.18 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 3kcv s LEU 89 CO 0.03 -0.24 0.09 0.33 -1.32 0.00 0.00 176.35 175.24 3kcv n PHE 90 N 4.76 0.09 0.00 5.38 7.35 -1.26 -0.46 117.46 133.32 3kcv n PHE 90 Ca -0.14 0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 3kcv n PHE 90 Cb 0.46 -0.13 0.00 0.00 0.35 0.00 0.00 39.48 40.15 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 0.20 0.00 0.04 -2.13 -2.24 -1.26 -4.81 114.28 104.08 3kcv n THR 91 Ca 0.02 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.86 3kcv n THR 91 Cb -0.00 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.34 0.21 3.42 4.64 -1.17 -1.59 113.55 119.40 3kcv h SER 92 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3kcv h SER 92 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3kcv h SER 92 CO 0.00 0.24 -0.19 0.35 -0.87 0.00 0.00 176.83 176.36 3kcv n THR 93 N -4.49 0.00 -0.31 2.95 -2.24 -1.26 -4.51 114.28 104.43 3kcv n THR 93 Ca 0.03 -0.14 0.07 0.00 -2.27 0.00 0.00 64.05 61.74 3kcv n THR 93 Cb 0.12 0.34 0.16 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.55 -0.36 0.10 2.28 3.14 -0.60 -0.49 118.33 121.85 3kcv n VAL 94 Ca 0.14 1.94 -0.05 0.00 -2.96 0.00 0.00 64.34 63.41 3kcv n VAL 94 Cb 0.34 -2.73 0.03 0.00 -1.06 0.00 0.00 33.84 30.42 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 0.06 0.11 6.55 3.38 -1.85 -2.27 115.31 121.29 3kcv h LEU 95 Ca 0.44 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.38 3kcv h LEU 95 Cb 0.75 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3kcv h LEU 95 CO -0.86 0.84 -0.17 0.40 0.09 0.00 0.00 178.44 178.74 3kcv h ILE 96 N 0.02 0.62 -0.40 1.22 1.08 -1.12 -0.64 117.51 118.29 3kcv h ILE 96 Ca -0.02 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.54 3kcv h ILE 96 Cb 1.42 0.62 -0.09 0.00 -3.07 0.00 0.00 36.82 35.70 3kcv h ILE 96 CO 0.11 0.00 -0.23 0.58 -0.69 0.00 0.00 178.15 177.92 3kcv h VAL 97 N -0.34 0.36 -0.76 1.67 2.07 -1.31 0.59 116.25 118.54 3kcv h VAL 97 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 3kcv h VAL 97 Cb 0.34 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3kcv h VAL 97 CO -0.08 0.00 0.50 0.58 0.02 0.00 0.00 177.57 178.59 3kcv h VAL 98 N -0.16 1.20 -0.26 2.57 2.07 -1.20 -1.27 116.25 119.19 3kcv h VAL 98 Ca 0.19 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3kcv h VAL 98 Cb 0.46 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3kcv h VAL 98 CO -0.50 0.19 0.10 0.00 0.02 0.00 0.00 177.57 177.38 3kcv h ALA 99 N 1.28 0.30 0.00 1.67 0.00 -0.34 -1.20 119.26 120.96 3kcv h ALA 99 Ca 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3kcv h ALA 99 Cb -0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kcv h ALA 99 CO -0.06 -0.31 -0.06 0.87 0.00 0.00 0.00 179.25 179.70 3kcv h LYS 100 N 0.23 0.00 -0.18 0.00 1.57 -0.58 0.27 116.57 117.87 3kcv h LYS 100 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3kcv h LYS 100 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3kcv h LYS 100 CO -0.11 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.83 3kcv n ALA 101 N -2.14 2.51 -4.19 3.86 0.00 -0.51 -4.92 120.51 115.11 3kcv n ALA 101 Ca -0.00 -0.47 -0.32 0.00 0.00 0.00 0.00 53.44 52.64 3kcv n ALA 101 Cb 0.28 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 0.20 -1.17 0.00 0.00 7.64 0.09 -0.93 113.62 119.45 3kcv n SER 102 Ca 0.14 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.92 3kcv n SER 102 Cb 0.27 -2.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.02 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 -1.82 2.06 3.56 0.23 0.00 -0.52 -4.96 105.19 103.75 3kcv n GLY 103 Ca -0.14 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 3kcv n GLY 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kcv s ARG 104 N 0.00 1.72 -0.30 1.61 0.52 -0.11 -4.80 118.95 117.60 3kcv s ARG 104 Ca 0.00 0.59 -0.16 0.00 -0.52 0.00 0.00 55.73 55.64 3kcv s ARG 104 Cb 0.00 -4.76 0.17 0.00 0.52 0.00 0.00 34.95 30.88 3kcv s ARG 104 CO 0.00 -4.22 1.06 -1.50 0.02 0.00 0.00 175.30 170.66 3kcv s ILE 105 N 14.16 -0.27 0.65 1.52 2.07 -1.26 -4.87 121.20 133.21 3kcv s ILE 105 Ca 0.92 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 60.09 3kcv s ILE 105 Cb -0.13 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.48 3kcv s ILE 105 CO 0.10 0.00 0.98 0.28 -1.91 0.00 0.00 174.94 174.40 3kcv s THR 106 N 2.01 3.20 0.18 4.00 -1.32 -1.26 -4.88 115.64 117.58 3kcv s THR 106 Ca -0.04 0.04 -0.13 0.00 -1.21 0.00 0.00 61.69 60.34 3kcv s THR 106 Cb -0.04 -3.33 0.07 0.00 -1.51 0.00 0.00 72.50 67.70 3kcv s THR 106 CO -0.16 -0.36 1.82 -0.50 -2.21 0.00 0.00 174.62 173.20 3kcv h TRP 107 N -0.42 0.60 -0.75 9.09 6.55 -2.00 -0.48 115.95 128.53 3kcv h TRP 107 Ca -0.45 0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.42 3kcv h TRP 107 Cb 1.27 -0.19 -0.04 0.00 -0.86 0.00 0.00 29.16 29.34 3kcv h TRP 107 CO 0.44 0.34 0.50 0.78 -1.05 0.00 0.00 178.44 179.45 3kcv h GLY 108 N 0.64 1.05 0.91 1.49 0.00 -1.96 0.93 103.07 106.13 3kcv h GLY 108 Ca 0.21 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3kcv h GLY 108 CO -0.09 0.36 0.05 1.46 0.00 0.00 0.00 176.54 178.33 3kcv h GLN 109 N 0.99 0.15 -0.06 4.80 4.20 -1.74 -2.22 115.11 121.22 3kcv h GLN 109 Ca 0.28 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.01 3kcv h GLN 109 Cb -0.07 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 3kcv h GLN 109 CO -0.07 0.20 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.05 3kcv h LEU 110 N 0.06 -0.54 -0.66 1.46 3.38 -0.18 -3.19 115.31 115.64 3kcv h LEU 110 Ca 0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kcv h LEU 110 Cb 0.10 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kcv h LEU 110 CO -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.29 3kcv n ALA 111 N -2.57 2.52 0.19 1.53 0.00 0.23 -4.59 120.51 117.82 3kcv n ALA 111 Ca -0.04 -0.34 -0.14 0.00 0.00 0.00 0.00 53.44 52.92 3kcv n ALA 111 Cb 0.23 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 3kcv n ALA 111 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3kcv h LYS 112 N 1.17 -0.56 -0.38 0.00 2.10 -1.39 -3.12 116.57 114.38 3kcv h LYS 112 Ca 0.00 0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3kcv h LYS 112 Cb 0.26 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 3kcv h LYS 112 CO 0.00 -0.38 0.00 -1.71 -2.00 0.00 0.00 179.45 175.36 3kcv n ASN 113 N -5.40 2.67 -0.23 7.07 4.05 -1.26 -4.47 115.26 117.69 3kcv n ASN 113 Ca -0.09 -1.91 -0.00 0.00 0.45 0.00 0.00 54.58 53.03 3kcv n ASN 113 Cb 0.30 -0.25 0.07 0.00 1.23 0.00 0.00 39.78 41.13 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 3.24 -0.44 -0.75 1.20 4.06 -1.84 0.67 115.95 122.08 3kcv h TRP 114 Ca 0.00 0.06 -0.04 0.00 2.06 0.00 0.00 58.89 60.97 3kcv h TRP 114 Cb 0.72 0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 29.15 3kcv h TRP 114 CO 0.25 -0.31 0.30 1.25 -3.56 0.00 0.00 178.44 176.37 3kcv h LEU 115 N -0.02 1.04 -0.52 -4.49 5.85 -1.81 0.14 115.31 115.49 3kcv h LEU 115 Ca 0.32 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 3kcv h LEU 115 Cb 0.51 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3kcv h LEU 115 CO -0.71 0.93 -0.13 -1.13 -0.34 0.00 0.00 178.44 177.06 3kcv h ASN 116 N 1.09 1.02 0.17 1.25 -1.24 -1.56 -1.86 115.58 114.46 3kcv h ASN 116 Ca 0.25 -0.36 0.01 0.00 0.71 0.00 0.00 56.30 56.91 3kcv h ASN 116 Cb 0.21 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 3kcv h ASN 116 CO -0.02 1.14 -0.24 0.58 -1.29 0.00 0.00 177.43 177.60 3kcv h VAL 117 N 0.88 0.47 -0.33 2.57 2.07 -0.53 -1.41 116.25 119.97 3kcv h VAL 117 Ca 0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 3kcv h VAL 117 Cb 0.70 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 30.87 3kcv h VAL 117 CO 0.05 0.00 -0.18 0.22 0.02 0.00 0.00 177.57 177.68 3kcv h TYR 118 N -0.47 -0.45 -0.53 1.57 3.20 -0.60 0.33 116.97 120.02 3kcv h TYR 118 Ca 0.01 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 3kcv h TYR 118 Cb 0.47 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 3kcv h TYR 118 CO -0.20 -0.26 -0.12 0.35 -1.64 0.00 0.00 178.16 176.29 3kcv h PHE 119 N -0.13 1.13 -0.36 -3.82 3.57 -1.33 -1.44 116.94 114.55 3kcv h PHE 119 Ca 0.17 -0.24 0.06 0.00 3.53 0.00 0.00 57.97 61.49 3kcv h PHE 119 Cb 0.39 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 3kcv h PHE 119 CO -0.39 1.06 0.04 0.78 -2.23 0.00 0.00 178.31 177.57 3kcv h GLY 120 N 0.93 0.39 0.34 2.40 0.00 -0.67 -0.71 103.07 105.74 3kcv h GLY 120 Ca 0.14 0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.58 3kcv h GLY 120 CO 0.05 -0.06 0.27 3.43 0.00 0.00 0.00 176.54 180.24 3kcv h ASN 121 N 0.15 0.29 -0.42 0.19 -0.26 0.09 -1.32 115.58 114.30 3kcv h ASN 121 Ca 0.17 0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 55.96 3kcv h ASN 121 Cb 0.22 0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.51 3kcv h ASN 121 CO -0.26 0.15 0.12 0.25 -1.06 0.00 0.00 177.43 176.64 3kcv h LEU 122 N 0.46 0.62 -0.56 1.61 5.85 -0.43 0.15 115.31 123.02 3kcv h LEU 122 Ca 0.35 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3kcv h LEU 122 Cb 0.45 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 3kcv h LEU 122 CO -0.33 0.67 0.26 0.58 -0.34 0.00 0.00 178.44 179.28 3kcv h VAL 123 N 0.54 0.89 -0.04 1.05 2.07 -0.69 0.80 116.25 120.88 3kcv h VAL 123 Ca 0.14 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3kcv h VAL 123 Cb 0.28 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3kcv h VAL 123 CO -0.00 0.09 -0.19 1.23 0.02 0.00 0.00 177.57 178.72 3kcv h GLY 124 N 0.49 -0.23 0.82 2.17 0.00 -0.39 -0.45 103.07 105.48 3kcv h GLY 124 Ca 0.26 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.80 3kcv h GLY 124 CO -0.21 -0.17 -0.33 0.00 0.00 0.00 0.00 176.54 175.82 3kcv h ALA 125 N 0.65 -0.82 -0.78 3.60 0.00 -0.15 -1.70 119.26 120.07 3kcv h ALA 125 Ca 0.07 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3kcv h ALA 125 Cb 0.38 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3kcv h ALA 125 CO -0.20 -0.98 0.43 -0.07 0.00 0.00 0.00 179.25 178.43 3kcv h LEU 126 N -0.81 0.62 -1.15 0.00 3.38 -0.88 0.72 115.31 117.19 3kcv h LEU 126 Ca -0.06 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.05 3kcv h LEU 126 Cb 0.67 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 3kcv h LEU 126 CO 0.04 0.36 0.59 -0.07 0.09 0.00 0.00 178.44 179.46 3kcv h LEU 127 N 0.74 0.86 -0.37 1.67 3.38 -0.70 -1.22 115.31 119.67 3kcv h LEU 127 Ca 0.37 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 58.17 3kcv h LEU 127 Cb 0.32 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kcv h LEU 127 CO -0.24 0.51 -0.77 0.15 0.09 0.00 0.00 178.44 178.18 3kcv h PHE 128 N 0.95 0.50 -0.69 1.13 3.57 -0.03 -1.90 116.94 120.47 3kcv h PHE 128 Ca 0.43 -0.23 0.13 0.00 3.53 0.00 0.00 57.97 61.82 3kcv h PHE 128 Cb 0.37 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 38.95 3kcv h PHE 128 CO -0.00 1.00 0.24 0.28 -2.23 0.00 0.00 178.31 177.59 3kcv h VAL 129 N 0.24 0.66 -0.04 1.41 2.07 0.15 0.11 116.25 120.85 3kcv h VAL 129 Ca -0.04 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3kcv h VAL 129 Cb 1.36 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3kcv h VAL 129 CO 0.13 0.07 0.02 0.25 0.02 0.00 0.00 177.57 178.06 3kcv h LEU 130 N 0.38 0.05 -0.74 2.57 5.85 -0.83 0.62 115.31 123.21 3kcv h LEU 130 Ca 0.37 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3kcv h LEU 130 Cb 0.55 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3kcv h LEU 130 CO -0.40 0.18 0.40 0.25 -0.34 0.00 0.00 178.44 178.54 3kcv h LEU 131 N -0.08 0.93 -0.76 2.25 5.85 -0.87 0.28 115.31 122.91 3kcv h LEU 131 Ca 0.01 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 3kcv h LEU 131 Cb 0.15 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3kcv h LEU 131 CO -0.00 0.76 -0.53 0.24 -0.34 0.00 0.00 178.44 178.57 3kcv h MET 132 N 1.02 0.00 -0.27 1.25 2.86 -0.91 -0.32 114.93 118.57 3kcv h MET 132 Ca 0.26 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.81 3kcv h MET 132 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3kcv h MET 132 CO -0.04 0.53 -0.20 2.35 1.06 0.00 0.00 176.91 180.61 3kcv h TRP 133 N 0.00 0.71 -0.33 -0.22 2.91 -0.33 -3.15 115.95 115.54 3kcv h TRP 133 Ca -0.01 -0.20 -0.05 0.00 1.13 0.00 0.00 58.89 59.77 3kcv h TRP 133 Cb 1.06 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.53 3kcv h TRP 133 CO 0.00 0.89 -0.01 -0.07 -1.03 0.00 0.00 178.44 178.22 3kcv h LEU 134 N 0.33 0.48 -2.15 0.65 3.38 -0.72 -2.48 115.31 114.82 3kcv h LEU 134 Ca 0.05 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3kcv h LEU 134 Cb 0.74 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3kcv h LEU 134 CO 0.05 0.56 0.08 0.77 0.09 0.00 0.00 178.44 179.99 3kcv h SER 135 N 0.49 0.00 -2.13 -0.43 4.64 -1.02 -3.46 113.55 111.64 3kcv h SER 135 Ca 0.11 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 3kcv h SER 135 Cb 0.34 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.46 3kcv h SER 135 CO 0.01 0.00 -0.16 0.61 -0.87 0.00 0.00 176.83 176.42 3kcv n GLY 136 N -1.48 0.58 0.17 -0.77 0.00 -0.93 -4.96 105.19 97.79 3kcv n GLY 136 Ca -0.01 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.64 0.00 0.00 1.61 4.57 -1.82 -3.33 114.58 114.97 3kcv h GLU 137 Ca -0.14 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 3kcv h GLU 137 Cb 1.09 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3kcv h GLU 137 CO 0.14 0.18 -0.02 0.10 -1.18 0.00 0.00 179.01 178.23 3kcv h TYR 138 N 0.00 0.00 -0.01 0.92 -0.00 -1.93 0.18 116.97 116.13 3kcv h TYR 138 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 3kcv h TYR 138 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.90 3kcv h TYR 138 CO 0.00 0.02 -0.05 -1.33 -0.00 0.00 0.00 178.16 176.81 3kcv n MET 139 N -3.31 1.07 -1.71 0.10 2.81 -1.25 -1.16 117.12 113.67 3kcv n MET 139 Ca -0.02 -0.38 -0.41 0.00 -1.81 0.00 0.00 57.70 55.07 3kcv n MET 139 Cb 0.15 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.18 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 -0.63 2.49 -2.15 2.03 -1.04 0.62 -0.83 114.28 114.77 3kcv n THR 140 Ca 0.19 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.05 61.52 3kcv n THR 140 Cb 0.25 -1.61 -0.02 0.00 -1.82 0.00 0.00 70.33 67.13 3kcv n THR 140 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kcv n ALA 141 N -0.12 -0.46 -2.90 2.41 0.00 -1.26 -1.79 120.51 116.38 3kcv n ALA 141 Ca 0.06 0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 3kcv n ALA 141 Cb 0.39 -1.90 0.04 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.24 -3.41 0.00 0.00 4.05 -0.88 -2.81 115.26 110.97 3kcv n ASN 142 Ca -0.20 -0.27 0.00 0.00 0.45 0.00 0.00 54.58 54.56 3kcv n ASN 142 Cb 0.64 -2.64 0.00 0.00 1.23 0.00 0.00 39.78 39.01 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 -1.16 1.92 0.31 8.20 0.00 -0.01 -4.16 105.19 110.29 3kcv n GLY 143 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 2.55 0.77 0.37 1.61 1.08 -1.18 0.32 115.11 120.64 3kcv h GLN 144 Ca 0.00 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 3kcv h GLN 144 Cb 0.00 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 3kcv h GLN 144 CO 0.00 0.64 -0.18 2.35 -0.95 0.00 0.00 178.83 180.70 3kcv h TRP 145 N 0.76 -0.46 -0.71 2.96 7.01 -1.54 0.77 115.95 124.74 3kcv h TRP 145 Ca 0.18 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.19 3kcv h TRP 145 Cb 0.17 0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.34 3kcv h TRP 145 CO 0.01 -0.24 0.46 0.78 -2.79 0.00 0.00 178.44 176.66 3kcv h GLY 146 N -0.57 1.00 0.78 2.65 0.00 -0.58 -1.94 103.07 104.41 3kcv h GLY 146 Ca -0.05 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 46.97 3kcv h GLY 146 CO 0.08 0.33 0.40 -2.00 0.00 0.00 0.00 176.54 175.35 3kcv h LEU 147 N 0.92 0.62 -0.54 3.11 5.85 -0.85 -1.15 115.31 123.26 3kcv h LEU 147 Ca 0.27 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.11 3kcv h LEU 147 Cb -0.06 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 40.76 3kcv h LEU 147 CO -0.08 0.42 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.28 3kcv h ASN 148 N 0.76 -0.30 -0.03 1.25 -0.73 -0.21 -0.45 115.58 115.87 3kcv h ASN 148 Ca 0.29 0.14 0.03 0.00 1.87 0.00 0.00 56.30 58.62 3kcv h ASN 148 Cb 0.10 0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.91 3kcv h ASN 148 CO -0.14 -0.11 -0.18 0.58 -0.37 0.00 0.00 177.43 177.21 3kcv h VAL 149 N 0.09 0.56 -0.49 2.57 2.07 -0.54 -1.17 116.25 119.34 3kcv h VAL 149 Ca 0.28 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.84 3kcv h VAL 149 Cb 0.43 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3kcv h VAL 149 CO -0.48 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.29 3kcv h LEU 150 N -0.28 0.37 -0.43 2.57 3.38 -0.40 0.85 115.31 121.37 3kcv h LEU 150 Ca 0.06 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3kcv h LEU 150 Cb 0.36 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3kcv h LEU 150 CO -0.19 0.26 -0.16 1.56 0.09 0.00 0.00 178.44 180.00 3kcv h GLN 151 N 0.50 0.86 -0.05 1.13 4.20 -0.96 -0.42 115.11 120.37 3kcv h GLN 151 Ca 0.21 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 3kcv h GLN 151 Cb 0.12 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3kcv h GLN 151 CO -0.15 1.00 0.02 1.15 -0.67 0.00 0.00 178.83 180.18 3kcv h THR 152 N 0.69 1.13 0.25 -0.54 2.02 -0.88 -1.79 112.91 113.79 3kcv h THR 152 Ca 0.10 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 3kcv h THR 152 Cb 0.71 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3kcv h THR 152 CO 0.05 0.11 -0.14 0.00 0.37 0.00 0.00 175.52 175.92 3kcv h ALA 153 N 0.87 -0.36 -0.37 6.16 0.00 -0.81 -3.13 119.26 121.62 3kcv h ALA 153 Ca 0.02 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3kcv h ALA 153 Cb 0.16 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3kcv h ALA 153 CO -0.00 -0.70 0.15 0.22 0.00 0.00 0.00 179.25 178.92 3kcv h ASP 154 N -0.36 0.20 -0.99 0.00 3.58 -1.01 -2.36 116.42 115.47 3kcv h ASP 154 Ca -0.03 0.03 0.36 0.00 0.42 0.00 0.00 57.03 57.81 3kcv h ASP 154 Cb 0.29 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 41.18 3kcv h ASP 154 CO 0.04 0.15 0.51 -0.74 -2.88 0.00 0.00 179.24 176.32 3kcv h HIS 155 N 0.32 0.80 -0.05 0.28 2.76 -1.26 -2.02 115.15 115.98 3kcv h HIS 155 Ca 0.16 0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.22 3kcv h HIS 155 Cb 0.11 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 3kcv h HIS 155 CO -0.12 -0.32 -0.65 0.87 -1.30 0.00 0.00 177.93 176.41 3kcv h LYS 156 N 0.16 0.20 -0.04 5.26 1.57 -1.48 -2.63 116.57 119.62 3kcv h LYS 156 Ca 0.76 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 3kcv h LYS 156 Cb 1.86 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.19 3kcv h LYS 156 CO -0.70 0.78 0.00 1.33 -0.57 0.00 0.00 179.45 180.29 3kcv n VAL 157 N -3.83 0.05 -1.29 0.50 0.24 -0.76 -3.59 118.33 109.64 3kcv n VAL 157 Ca -0.02 -0.14 -0.16 0.00 -2.04 0.00 0.00 64.34 61.98 3kcv n VAL 157 Cb 0.64 -0.02 0.20 0.00 -1.47 0.00 0.00 33.84 33.19 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 -0.38 2.40 -2.66 6.34 8.25 -0.99 -4.83 115.22 123.36 3kcv n HIS 158 Ca 0.18 -1.72 -0.22 0.00 -0.26 0.00 0.00 57.72 55.70 3kcv n HIS 158 Cb 0.20 -0.79 0.04 0.00 1.12 0.00 0.00 29.99 30.56 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 -3.26 2.91 0.68 4.41 3.76 -1.24 -5.09 115.29 117.46 3kcv s HIS 159 Ca 0.53 0.05 0.02 0.00 -0.15 0.00 0.00 55.06 55.51 3kcv s HIS 159 Cb 0.45 -2.72 0.11 0.00 1.11 0.00 0.00 32.58 31.54 3kcv s HIS 159 CO 0.08 -0.84 0.93 0.95 -0.85 0.00 0.00 174.74 175.01 3kcv s THR 160 N -2.76 2.16 0.04 1.30 -4.23 -1.26 -4.92 115.64 105.96 3kcv s THR 160 Ca 0.56 -0.70 -0.26 0.00 -1.18 0.00 0.00 61.69 60.11 3kcv s THR 160 Cb -0.10 -2.46 -0.17 0.00 1.34 0.00 0.00 72.50 71.10 3kcv s THR 160 CO 0.39 0.00 1.43 0.15 -0.54 0.00 0.00 174.62 176.05 3kcv h PHE 161 N -0.32 -0.33 -0.10 3.99 3.57 -1.95 -0.71 116.94 121.09 3kcv h PHE 161 Ca -0.35 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.17 3kcv h PHE 161 Cb 1.27 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.10 3kcv h PHE 161 CO -0.02 -0.06 -0.06 0.82 -2.23 0.00 0.00 178.31 176.75 3kcv h ILE 162 N -0.58 0.82 -0.31 1.41 2.04 -1.98 -1.33 117.51 117.58 3kcv h ILE 162 Ca -0.04 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.89 3kcv h ILE 162 Cb 0.42 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 3kcv h ILE 162 CO 0.06 0.00 -0.12 -0.33 0.00 0.00 0.00 178.15 177.76 3kcv h GLU 163 N -0.06 -0.06 -0.93 2.37 5.08 -1.96 -0.52 114.58 118.50 3kcv h GLU 163 Ca 0.06 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3kcv h GLU 163 Cb 0.15 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 3kcv h GLU 163 CO -0.13 -0.04 0.58 0.00 -1.00 0.00 0.00 179.01 178.42 3kcv h ALA 164 N 1.21 1.33 0.11 3.43 0.00 -0.85 0.39 119.26 124.89 3kcv h ALA 164 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3kcv h ALA 164 Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kcv h ALA 164 CO -0.35 0.29 -0.05 0.28 0.00 0.00 0.00 179.25 179.41 3kcv h VAL 165 N 1.01 1.05 -0.35 0.00 2.07 -0.51 -1.27 116.25 118.26 3kcv h VAL 165 Ca 0.43 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3kcv h VAL 165 Cb 0.28 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3kcv h VAL 165 CO -0.21 0.17 0.08 0.00 0.02 0.00 0.00 177.57 177.63 3kcv h LEU 167 N 0.50 0.50 -0.15 0.00 3.38 -0.85 -1.38 115.31 117.31 3kcv h LEU 167 Ca 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3kcv h LEU 167 Cb 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kcv h LEU 167 CO -0.00 0.80 -0.00 1.23 0.09 0.00 0.00 178.44 180.56 3kcv h GLY 168 N 1.07 0.28 -0.14 0.83 0.00 0.02 -1.15 103.07 103.98 3kcv h GLY 168 Ca 0.05 -0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.27 3kcv h GLY 168 CO 0.06 0.19 -0.22 -2.22 0.00 0.00 0.00 176.54 174.35 3kcv h ILE 169 N -0.00 0.34 -0.17 2.60 2.04 -0.40 -2.26 117.51 119.66 3kcv h ILE 169 Ca 0.04 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 3kcv h ILE 169 Cb 0.37 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3kcv h ILE 169 CO 0.01 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.88 3kcv h LEU 170 N -0.11 0.28 -0.09 1.44 3.38 -1.14 -1.40 115.31 117.66 3kcv h LEU 170 Ca 0.23 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3kcv h LEU 170 Cb 0.47 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3kcv h LEU 170 CO -0.56 0.50 -0.04 0.00 0.09 0.00 0.00 178.44 178.43 3kcv h ALA 171 N 1.53 0.13 0.00 1.53 0.00 -0.85 -3.24 119.26 118.36 3kcv h ALA 171 Ca 0.05 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3kcv h ALA 171 Cb 0.52 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3kcv h ALA 171 CO 0.03 -0.11 -0.50 -0.97 0.00 0.00 0.00 179.25 177.71 3kcv h ASN 172 N -0.16 0.00 -0.88 0.00 -1.24 -1.26 -1.89 115.58 110.14 3kcv h ASN 172 Ca 0.02 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.09 3kcv h ASN 172 Cb 0.49 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.47 3kcv h ASN 172 CO 0.01 0.50 0.55 -0.07 -1.29 0.00 0.00 177.43 177.14 3kcv h LEU 173 N 0.00 0.88 0.12 0.34 3.38 -1.32 -1.41 115.31 117.31 3kcv h LEU 173 Ca -0.01 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.72 3kcv h LEU 173 Cb 1.04 -0.17 0.03 0.00 0.09 0.00 0.00 40.66 41.65 3kcv h LEU 173 CO 0.07 0.57 -1.08 0.24 0.09 0.00 0.00 178.44 178.33 3kcv h MET 174 N 1.02 0.51 0.29 1.13 2.86 -1.51 -1.54 114.93 117.70 3kcv h MET 174 Ca 0.38 -0.72 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 3kcv h MET 174 Cb 0.15 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3kcv h MET 174 CO -0.17 1.32 -0.20 0.28 1.06 0.00 0.00 176.91 179.20 3kcv h VAL 175 N 0.06 0.57 0.08 -2.22 2.07 -1.33 0.06 116.25 115.53 3kcv h VAL 175 Ca -0.17 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3kcv h VAL 175 Cb 1.79 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3kcv h VAL 175 CO 0.21 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.75 3kcv h LEU 177 N -0.11 0.75 -0.15 0.00 3.38 -1.29 0.16 115.31 118.04 3kcv h LEU 177 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3kcv h LEU 177 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3kcv h LEU 177 CO 0.01 0.49 -0.01 0.00 0.09 0.00 0.00 178.44 179.03 3kcv h ALA 178 N 1.57 0.20 -0.30 1.53 0.00 -0.53 -0.45 119.26 121.29 3kcv h ALA 178 Ca 0.33 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3kcv h ALA 178 Cb 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3kcv h ALA 178 CO -0.11 -0.08 0.05 0.28 0.00 0.00 0.00 179.25 179.39 3kcv h VAL 179 N 0.00 0.85 -0.15 0.00 2.07 -0.89 -1.05 116.25 117.09 3kcv h VAL 179 Ca 0.04 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3kcv h VAL 179 Cb 0.39 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 3kcv h VAL 179 CO 0.01 0.03 -0.25 -0.25 0.02 0.00 0.00 177.57 177.13 3kcv h TRP 180 N 0.16 -0.67 0.00 1.57 -0.00 -0.45 0.11 115.95 116.66 3kcv h TRP 180 Ca 0.14 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 59.06 3kcv h TRP 180 Cb 0.16 0.32 -0.00 0.00 -0.00 0.00 0.00 29.16 29.64 3kcv h TRP 180 CO -0.18 -0.33 -0.00 0.52 -0.00 0.00 0.00 178.44 178.45 3kcv h MET 181 N -0.31 0.00 -0.29 2.65 2.86 -0.72 -1.78 114.93 117.34 3kcv h MET 181 Ca 0.11 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.62 3kcv h MET 181 Cb 0.47 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3kcv h MET 181 CO -0.32 0.00 -0.32 1.03 1.06 0.00 0.00 176.91 178.36 3kcv h SER 182 N 0.00 0.65 -0.79 1.22 0.87 0.34 -3.17 113.55 112.67 3kcv h SER 182 Ca -0.00 -0.26 0.10 0.00 -1.23 0.00 0.00 61.79 60.40 3kcv h SER 182 Cb 0.01 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 61.71 3kcv h SER 182 CO 0.00 0.92 0.43 0.22 -0.53 0.00 0.00 176.83 177.87 3kcv h TYR 183 N 0.53 0.77 0.00 2.24 3.20 -0.66 -0.71 116.97 122.35 3kcv h TYR 183 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3kcv h TYR 183 Cb 0.81 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3kcv h TYR 183 CO 0.03 0.29 0.00 -1.13 -1.64 0.00 0.00 178.16 175.71 3kcv n SER 184 N -4.80 0.24 -4.65 -2.11 3.41 -1.20 -4.86 113.62 99.64 3kcv n SER 184 Ca 0.13 -1.01 -0.40 0.00 -0.26 0.00 0.00 58.87 57.33 3kcv n SER 184 Cb 0.29 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 3kcv n SER 184 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kcv s GLY 185 N -1.03 1.99 0.00 5.00 0.00 -0.27 -5.02 107.32 107.99 3kcv s GLY 185 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.30 3kcv s GLY 185 CO 0.00 1.20 0.00 -2.13 0.00 0.00 0.00 173.10 172.17 3kcv n ARG 186 N 5.09 0.00 -0.92 2.90 0.00 -1.26 -4.71 116.66 117.76 3kcv n ARG 186 Ca -0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.66 3kcv n ARG 186 Cb 0.50 -0.32 0.11 0.00 0.00 0.00 0.00 32.46 32.75 3kcv n ARG 186 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3kcv n SER 187 N 0.00 -0.21 -0.19 6.15 3.41 -1.26 -4.82 113.62 116.70 3kcv n SER 187 Ca 0.00 -1.19 -0.10 0.00 -0.26 0.00 0.00 58.87 57.32 3kcv n SER 187 Cb 0.00 -0.53 0.01 0.00 -0.26 0.00 0.00 64.21 63.43 3kcv n SER 187 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kcv h LEU 188 N 0.00 1.04 -0.10 1.04 5.85 -1.99 -2.30 115.31 118.86 3kcv h LEU 188 Ca -0.22 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.19 3kcv h LEU 188 Cb 0.62 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3kcv h LEU 188 CO 0.16 1.15 -0.32 -0.03 -0.34 0.00 0.00 178.44 179.06 3kcv h MET 189 N 0.92 -0.40 -0.34 1.25 4.05 -1.99 -1.13 114.93 117.28 3kcv h MET 189 Ca 0.14 0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.61 3kcv h MET 189 Cb 0.69 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.55 3kcv h MET 189 CO 0.05 -0.27 0.16 -0.44 0.23 0.00 0.00 176.91 176.65 3kcv h ASP 190 N -0.42 0.23 -0.67 1.39 5.19 -1.90 -1.77 116.42 118.48 3kcv h ASP 190 Ca 0.09 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 3kcv h ASP 190 Cb 0.55 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 3kcv h ASP 190 CO -0.33 0.18 0.39 0.11 -3.12 0.00 0.00 179.24 176.47 3kcv h LYS 191 N 0.34 0.92 0.00 3.56 1.57 -1.20 -3.21 116.57 118.56 3kcv h LYS 191 Ca 0.14 -0.09 -0.28 0.00 -1.87 0.00 0.00 60.65 58.55 3kcv h LYS 191 Cb 0.06 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3kcv h LYS 191 CO -0.11 0.67 -1.56 0.00 -0.57 0.00 0.00 179.45 177.88 3kcv n ALA 192 N -2.32 0.88 0.14 3.86 0.00 -0.45 -4.37 120.51 118.25 3kcv n ALA 192 Ca 0.05 -0.65 0.15 0.00 0.00 0.00 0.00 53.44 52.99 3kcv n ALA 192 Cb 0.07 -0.35 0.69 0.00 0.00 0.00 0.00 19.45 19.86 3kcv n ALA 192 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kcv h PHE 193 N -1.00 0.00 0.00 0.00 0.05 -1.48 -2.02 116.94 112.49 3kcv h PHE 193 Ca -0.42 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.37 3kcv h PHE 193 Cb 1.35 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.30 3kcv h PHE 193 CO 0.03 0.00 0.00 0.97 -0.18 0.00 0.00 178.31 179.13 3kcv h ILE 194 N 0.00 0.00 0.00 -0.55 6.09 -1.75 -2.76 117.51 118.54 3kcv h ILE 194 Ca 0.12 -0.51 0.00 0.00 -1.37 0.00 0.00 64.86 63.11 3kcv h ILE 194 Cb 0.51 1.45 0.00 0.00 0.47 0.00 0.00 36.82 39.25 3kcv h ILE 194 CO -0.00 0.00 -0.53 0.24 -3.07 0.00 0.00 178.15 174.78 3kcv h MET 195 N 0.00 0.00 0.15 2.19 2.86 -1.57 -3.40 114.93 115.17 3kcv h MET 195 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3kcv h MET 195 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3kcv h MET 195 CO 0.00 0.00 -0.07 0.28 1.06 0.00 0.00 176.91 178.18 3kcv h VAL 196 N 0.00 0.94 -0.22 -2.22 2.07 -1.56 -1.84 116.25 113.42 3kcv h VAL 196 Ca 0.00 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.13 3kcv h VAL 196 Cb 0.99 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3kcv h VAL 196 CO 0.00 0.10 0.06 -0.07 0.02 0.00 0.00 177.57 177.68 3kcv h LEU 197 N -0.40 0.05 -1.35 2.57 4.07 -1.77 0.10 115.31 118.59 3kcv h LEU 197 Ca -0.02 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 3kcv h LEU 197 Cb 0.32 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 3kcv h LEU 197 CO 0.03 0.06 -0.26 -0.65 -1.08 0.00 0.00 178.44 176.54 3kcv h PRO 198 N 0.16 0.10 0.04 1.13 0.11 -1.80 -0.91 132.00 130.83 3kcv h PRO 198 Ca 0.10 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 3kcv h PRO 198 Cb 0.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.18 3kcv h PRO 198 CO -0.12 0.36 -0.02 0.28 -0.21 0.00 0.00 178.00 178.29 3kcv h VAL 199 N 0.09 1.26 -0.98 3.15 2.07 -1.06 -3.07 116.25 117.72 3kcv h VAL 199 Ca 0.01 -1.66 0.25 0.00 0.82 0.00 0.00 66.70 66.13 3kcv h VAL 199 Cb 0.52 2.26 -0.13 0.00 -1.52 0.00 0.00 31.29 32.42 3kcv h VAL 199 CO 0.04 0.38 0.54 0.00 0.02 0.00 0.00 177.57 178.55 3kcv h ALA 200 N -0.11 1.72 -0.36 1.67 0.00 -0.69 -1.25 119.26 120.23 3kcv h ALA 200 Ca -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3kcv h ALA 200 Cb 0.67 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3kcv h ALA 200 CO 0.01 -0.33 0.11 1.98 0.00 0.00 0.00 179.25 181.02 3kcv h MET 201 N 0.50 0.56 0.00 0.00 -1.53 -1.23 0.16 114.93 113.40 3kcv h MET 201 Ca 0.64 -0.12 -0.05 0.00 -3.44 0.00 0.00 59.70 56.72 3kcv h MET 201 Cb 1.25 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 32.21 3kcv h MET 201 CO -0.51 0.59 -0.40 0.27 0.14 0.00 0.00 176.91 177.00 3kcv h PHE 202 N 0.43 0.00 0.01 1.39 -5.15 -1.21 -2.32 116.94 110.09 3kcv h PHE 202 Ca 0.12 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.87 3kcv h PHE 202 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.43 3kcv h PHE 202 CO 0.01 0.23 -0.08 0.28 -2.00 0.00 0.00 178.31 176.75 3kcv h VAL 203 N 0.00 1.68 0.25 0.88 2.07 -1.16 -0.65 116.25 119.32 3kcv h VAL 203 Ca -0.01 -2.09 0.01 0.00 0.82 0.00 0.00 66.70 65.42 3kcv h VAL 203 Cb 1.19 3.08 -0.03 0.00 -1.52 0.00 0.00 31.29 34.01 3kcv h VAL 203 CO 0.03 0.55 -0.38 0.00 0.02 0.00 0.00 177.57 177.79 3kcv h ALA 204 N 0.13 -0.74 0.00 1.67 0.00 -0.75 -0.42 119.26 119.15 3kcv h ALA 204 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kcv h ALA 204 Cb 0.94 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3kcv h ALA 204 CO 0.02 -0.97 0.05 0.43 0.00 0.00 0.00 179.25 178.78 3kcv n SER 205 N -5.46 0.00 -1.99 0.00 7.64 -0.87 -4.85 113.62 108.09 3kcv n SER 205 Ca -0.09 0.34 -0.18 0.00 1.01 0.00 0.00 58.87 59.96 3kcv n SER 205 Cb 0.37 -0.34 -0.01 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.33 -0.29 3.67 0.23 0.00 -0.17 -5.00 105.19 102.31 3kcv n GLY 206 Ca 0.00 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.87 1.62 -0.18 1.61 0.08 -0.27 -5.00 117.98 112.98 3kcv s PHE 207 Ca 0.00 1.78 -0.06 0.00 0.12 0.00 0.00 56.93 58.77 3kcv s PHE 207 Cb 0.00 -3.33 -0.03 0.00 -0.57 0.00 0.00 43.02 39.08 3kcv s PHE 207 CO 0.00 -2.83 0.02 -1.21 -0.10 0.00 0.00 175.22 171.10 3kcv s GLU 208 N -4.65 3.83 -0.18 0.44 0.41 -0.81 -4.82 118.70 112.92 3kcv s GLU 208 Ca 0.67 -0.42 0.00 0.00 -0.41 0.00 0.00 54.97 54.81 3kcv s GLU 208 Cb -0.23 -3.10 0.04 0.00 -1.78 0.00 0.00 34.13 29.06 3kcv s GLU 208 CO 0.58 0.23 -0.09 -1.58 -0.49 0.00 0.00 175.26 173.91 3kcv s HIS 209 N 0.44 2.12 0.24 1.61 5.65 -1.26 -3.92 115.29 120.17 3kcv s HIS 209 Ca 0.00 -1.35 -0.04 0.00 0.25 0.00 0.00 55.06 53.92 3kcv s HIS 209 Cb -0.13 -1.51 0.41 0.00 -1.18 0.00 0.00 32.58 30.17 3kcv s HIS 209 CO 0.01 -0.69 1.79 0.66 -0.65 0.00 0.00 174.74 175.87 3kcv h SER 210 N 8.04 0.56 -0.03 9.88 4.64 -1.93 -0.95 113.55 133.77 3kcv h SER 210 Ca -0.28 0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.02 3kcv h SER 210 Cb 1.11 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3kcv h SER 210 CO 0.46 0.30 -0.21 0.40 -0.87 0.00 0.00 176.83 176.90 3kcv h ILE 211 N 0.68 1.25 0.04 0.95 1.08 -1.96 -1.97 117.51 117.58 3kcv h ILE 211 Ca 0.40 -1.15 -0.22 0.00 -0.39 0.00 0.00 64.86 63.50 3kcv h ILE 211 Cb 0.44 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 3kcv h ILE 211 CO -0.29 0.36 -1.00 0.00 -0.69 0.00 0.00 178.15 176.53 3kcv h ALA 212 N 1.41 0.37 0.00 1.87 0.00 -1.70 -2.96 119.26 118.24 3kcv h ALA 212 Ca 0.06 -0.81 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 3kcv h ALA 212 Cb 0.59 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kcv h ALA 212 CO 0.04 1.00 -0.14 -0.91 0.00 0.00 0.00 179.25 179.25 3kcv h ASN 213 N 0.08 0.00 0.06 0.00 4.21 -0.95 -1.67 115.58 117.30 3kcv h ASN 213 Ca -0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.45 3kcv h ASN 213 Cb 1.69 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.89 3kcv h ASN 213 CO 0.15 0.14 0.00 0.24 -1.29 0.00 0.00 177.43 176.67 3kcv h MET 214 N 0.00 0.00 0.00 0.81 2.86 -1.18 -1.85 114.93 115.57 3kcv h MET 214 Ca -0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 3kcv h MET 214 Cb 0.60 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 3kcv h MET 214 CO 0.02 0.00 -1.36 0.34 1.06 0.00 0.00 176.91 176.96 3kcv n PHE 215 N -2.89 0.10 0.06 -0.22 7.35 -0.79 -4.09 117.46 116.97 3kcv n PHE 215 Ca -0.02 0.04 -0.12 0.00 -0.76 0.00 0.00 57.45 56.59 3kcv n PHE 215 Cb 0.08 -0.66 -0.06 0.00 0.35 0.00 0.00 39.48 39.19 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 -0.16 -0.01 -4.13 4.05 -1.16 -0.24 114.93 112.28 3kcv h MET 216 Ca -0.19 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.24 3kcv h MET 216 Cb 1.13 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.96 3kcv h MET 216 CO -0.11 -0.10 -0.01 0.82 0.23 0.00 0.00 176.91 177.73 3kcv h ILE 217 N -0.16 1.37 -0.56 1.77 2.04 -1.60 -1.30 117.51 119.07 3kcv h ILE 217 Ca 0.03 -1.12 0.16 0.00 1.00 0.00 0.00 64.86 64.93 3kcv h ILE 217 Cb 0.19 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 3kcv h ILE 217 CO -0.07 0.29 0.42 -0.65 0.00 0.00 0.00 178.15 178.14 3kcv h PRO 218 N -0.44 0.00 -0.36 2.37 0.11 -1.69 -0.58 132.00 131.41 3kcv h PRO 218 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 3kcv h PRO 218 Cb 0.48 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3kcv h PRO 218 CO 0.00 0.00 -0.12 1.98 -0.21 0.00 0.00 178.00 179.66 3kcv h MET 219 N 0.00 0.71 -0.33 1.05 4.05 -0.47 -0.70 114.93 119.24 3kcv h MET 219 Ca 0.27 -0.29 -0.08 0.00 -0.28 0.00 0.00 59.70 59.32 3kcv h MET 219 Cb 1.10 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.85 3kcv h MET 219 CO -0.00 0.88 -0.13 0.78 0.23 0.00 0.00 176.91 178.66 3kcv h GLY 220 N 0.50 0.63 0.96 1.39 0.00 -0.64 -2.12 103.07 103.79 3kcv h GLY 220 Ca 0.09 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 3kcv h GLY 220 CO 0.04 0.42 -0.01 -2.22 0.00 0.00 0.00 176.54 174.77 3kcv h ILE 221 N 0.53 1.00 -0.07 2.60 2.04 -0.84 -0.25 117.51 122.52 3kcv h ILE 221 Ca 0.09 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.89 3kcv h ILE 221 Cb 0.54 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3kcv h ILE 221 CO 0.03 0.02 -0.07 0.58 0.00 0.00 0.00 178.15 178.72 3kcv h VAL 222 N -0.07 0.81 -0.34 1.67 2.07 -1.04 0.74 116.25 120.09 3kcv h VAL 222 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kcv h VAL 222 Cb 0.06 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3kcv h VAL 222 CO 0.01 0.00 0.22 0.40 0.02 0.00 0.00 177.57 178.22 3kcv h ILE 223 N -0.08 1.09 -0.01 4.57 2.04 -1.33 -0.00 117.51 123.79 3kcv h ILE 223 Ca 0.05 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3kcv h ILE 223 Cb 0.16 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3kcv h ILE 223 CO -0.12 0.09 -0.03 -0.09 0.00 0.00 0.00 178.15 177.99 3kcv h ARG 224 N 0.46 -0.05 -0.03 2.37 2.43 -0.99 0.21 114.38 118.78 3kcv h ARG 224 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3kcv h ARG 224 Cb -0.04 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3kcv h ARG 224 CO -0.03 -0.04 0.00 -0.25 -1.51 0.00 0.00 179.97 178.15 3kcv n ASP 225 N -5.14 0.43 0.00 -3.80 8.00 0.25 -3.94 116.55 112.34 3kcv n ASP 225 Ca -0.06 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.06 3kcv n ASP 225 Cb 0.08 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3kcv n ASP 225 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kcv n PHE 226 N -0.56 0.00 -1.79 1.24 3.72 -0.05 -5.02 117.46 115.00 3kcv n PHE 226 Ca 0.17 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.17 3kcv n PHE 226 Cb 0.15 0.05 0.01 0.00 -0.94 0.00 0.00 39.48 38.74 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 0.00 3.43 0.65 4.37 0.00 0.06 -4.98 121.76 125.29 3kcv s ALA 227 Ca 0.00 1.54 -0.15 0.00 0.00 0.00 0.00 51.96 53.35 3kcv s ALA 227 Cb 0.00 -3.61 -0.00 0.00 0.00 0.00 0.00 23.12 19.51 3kcv s ALA 227 CO 0.00 -1.14 1.10 -1.54 0.00 0.00 0.00 175.76 174.18 3kcv s SER 228 N -0.29 5.21 0.43 0.00 1.04 -1.26 -4.93 113.70 113.90 3kcv s SER 228 Ca 0.56 1.96 0.17 0.00 0.48 0.00 0.00 55.95 59.12 3kcv s SER 228 Cb -0.46 -2.55 0.96 0.00 0.10 0.00 0.00 66.02 64.08 3kcv s SER 228 CO 0.61 -1.56 1.93 -0.65 0.98 0.00 0.00 173.24 174.54 3kcv h PRO 229 N 0.05 0.00 -0.75 4.02 0.11 -2.00 -1.01 132.00 132.42 3kcv h PRO 229 Ca -0.47 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.71 3kcv h PRO 229 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 3kcv h PRO 229 CO 0.55 0.26 0.49 0.93 -0.21 0.00 0.00 178.00 180.01 3kcv h GLU 230 N 0.00 0.77 0.09 1.05 3.07 -1.99 -1.08 114.58 116.49 3kcv h GLU 230 Ca -0.00 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3kcv h GLU 230 Cb 0.50 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3kcv h GLU 230 CO 0.03 0.51 -0.04 0.35 -1.40 0.00 0.00 179.01 178.46 3kcv h PHE 231 N 0.79 -0.11 -0.52 4.33 3.57 -1.56 0.27 116.94 123.71 3kcv h PHE 231 Ca 0.32 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 3kcv h PHE 231 Cb 0.25 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3kcv h PHE 231 CO -0.00 0.22 0.10 -1.49 -2.23 0.00 0.00 178.31 174.92 3kcv h TRP 232 N -0.46 0.84 -0.29 0.41 4.06 -1.23 -1.08 115.95 118.20 3kcv h TRP 232 Ca -0.01 -0.08 -0.04 0.00 2.06 0.00 0.00 58.89 60.81 3kcv h TRP 232 Cb 0.39 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 3kcv h TRP 232 CO 0.04 0.72 0.01 1.15 -3.56 0.00 0.00 178.44 176.80 3kcv h THR 233 N 0.78 1.25 0.04 1.49 2.02 -1.20 -0.99 112.91 116.29 3kcv h THR 233 Ca 0.17 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 3kcv h THR 233 Cb 0.32 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3kcv h THR 233 CO 0.00 0.29 -0.02 0.00 0.37 0.00 0.00 175.52 176.17 3kcv h ALA 234 N 0.84 -0.05 -0.00 6.16 0.00 -0.33 -2.92 119.26 122.96 3kcv h ALA 234 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kcv h ALA 234 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kcv h ALA 234 CO 0.01 -0.46 -0.02 1.33 0.00 0.00 0.00 179.25 180.12 3kcv n VAL 235 N -5.04 0.00 -2.72 0.00 0.24 -0.46 -4.95 118.33 105.40 3kcv n VAL 235 Ca -0.08 -0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.13 3kcv n VAL 235 Cb 0.11 -0.47 0.05 0.00 -1.47 0.00 0.00 33.84 32.06 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 1.47 0.00 3.66 7.63 0.00 -0.58 -5.03 105.19 112.34 3kcv n GLY 236 Ca 0.08 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.66 0.37 -0.07 1.61 0.15 -0.48 -5.05 113.70 106.56 3kcv s SER 237 Ca 0.02 -1.25 -0.08 0.00 0.70 0.00 0.00 55.95 55.34 3kcv s SER 237 Cb -0.00 0.75 0.02 0.00 -1.71 0.00 0.00 66.02 65.08 3kcv s SER 237 CO 0.38 -1.48 0.23 0.00 1.20 0.00 0.00 173.24 173.57 3kcv s ALA 238 N -2.81 -0.56 0.41 5.45 0.00 -1.26 -4.57 121.76 118.42 3kcv s ALA 238 Ca 0.22 0.54 0.26 0.00 0.00 0.00 0.00 51.96 52.98 3kcv s ALA 238 Cb -0.03 -0.29 1.34 0.00 0.00 0.00 0.00 23.12 24.14 3kcv s ALA 238 CO 0.15 -0.13 1.64 -1.35 0.00 0.00 0.00 175.76 176.06 3kcv h PRO 239 N 5.47 0.14 0.00 0.00 0.11 -1.98 0.33 132.00 136.07 3kcv h PRO 239 Ca -0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3kcv h PRO 239 Cb 1.19 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kcv h PRO 239 CO 0.37 0.09 -0.05 0.93 -0.21 0.00 0.00 178.00 179.13 3kcv h GLU 240 N 0.14 0.00 0.00 1.05 3.07 -1.98 -0.78 114.58 116.08 3kcv h GLU 240 Ca 0.79 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.65 3kcv h GLU 240 Cb 2.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.22 3kcv h GLU 240 CO -0.47 0.05 0.00 0.09 -1.40 0.00 0.00 179.01 177.27 3kcv n ASN 241 N -3.38 0.00 -2.68 1.42 3.02 0.11 -3.32 115.26 110.42 3kcv n ASN 241 Ca -0.02 -0.51 -0.08 0.00 -0.03 0.00 0.00 54.58 53.94 3kcv n ASN 241 Cb 0.18 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.38 3kcv n ASN 241 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3kcv n PHE 242 N -0.97 1.40 0.32 3.10 3.72 -0.30 -4.93 117.46 119.80 3kcv n PHE 242 Ca 0.11 -2.61 0.20 0.00 -0.05 0.00 0.00 57.45 55.10 3kcv n PHE 242 Cb 0.05 -0.31 1.07 0.00 -0.94 0.00 0.00 39.48 39.34 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 2.83 0.00 0.46 4.37 4.64 -1.71 -2.23 113.55 121.91 3kcv h SER 243 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3kcv h SER 243 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3kcv h SER 243 CO 0.44 0.01 -0.49 1.41 -0.87 0.00 0.00 176.83 177.34 3kcv n HIS 244 N -3.30 0.00 -0.98 4.77 8.25 -1.26 -4.58 115.22 118.12 3kcv n HIS 244 Ca -0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 3kcv n HIS 244 Cb 0.11 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.40 6.34 -4.96 2.41 4.77 -0.84 -4.59 117.00 118.72 3kcv n LEU 245 Ca 0.06 -3.45 -0.23 0.00 -0.03 0.00 0.00 56.01 52.36 3kcv n LEU 245 Cb 0.34 -1.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.13 3kcv n LEU 245 CO 0.34 1.12 -0.03 0.42 -1.33 0.00 0.00 177.39 177.91 3kcv s THR 246 N 3.02 5.26 0.18 -5.08 -4.23 -1.26 -4.74 115.64 108.78 3kcv s THR 246 Ca 0.51 -0.85 -0.13 0.00 -1.18 0.00 0.00 61.69 60.04 3kcv s THR 246 Cb 0.13 -3.83 0.08 0.00 1.34 0.00 0.00 72.50 70.22 3kcv s THR 246 CO -0.04 -0.29 1.77 0.58 -0.54 0.00 0.00 174.62 176.10 3kcv h VAL 247 N 1.25 0.91 -0.87 2.29 2.07 -1.98 -1.19 116.25 118.72 3kcv h VAL 247 Ca -0.51 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3kcv h VAL 247 Cb 1.22 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3kcv h VAL 247 CO 0.63 0.08 0.46 0.24 0.02 0.00 0.00 177.57 179.00 3kcv h MET 248 N 0.43 1.22 -0.38 1.57 2.86 -1.95 -1.26 114.93 117.42 3kcv h MET 248 Ca 0.22 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 3kcv h MET 248 Cb 0.18 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3kcv h MET 248 CO -0.19 0.90 -0.01 -0.91 1.06 0.00 0.00 176.91 177.77 3kcv h ASN 249 N 1.22 0.66 -0.78 1.22 -0.26 -1.78 -0.73 115.58 115.13 3kcv h ASN 249 Ca 0.30 -0.31 0.18 0.00 -0.56 0.00 0.00 56.30 55.92 3kcv h ASN 249 Cb 0.04 -0.18 -0.13 0.00 -1.06 0.00 0.00 38.32 37.00 3kcv h ASN 249 CO -0.05 0.81 0.10 0.15 -1.06 0.00 0.00 177.43 177.39 3kcv h PHE 250 N 0.49 0.12 0.07 1.19 3.57 -0.48 0.16 116.94 122.06 3kcv h PHE 250 Ca 0.11 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 3kcv h PHE 250 Cb 0.48 0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.30 3kcv h PHE 250 CO 0.04 -0.20 -0.47 0.82 -2.23 0.00 0.00 178.31 176.27 3kcv h ILE 251 N 0.17 1.60 0.00 1.41 2.04 -0.97 0.23 117.51 121.99 3kcv h ILE 251 Ca 0.45 -2.36 -0.03 0.00 1.00 0.00 0.00 64.86 63.92 3kcv h ILE 251 Cb 0.82 3.16 -0.00 0.00 -0.74 0.00 0.00 36.82 40.05 3kcv h ILE 251 CO -0.63 0.65 -0.62 0.71 0.00 0.00 0.00 178.15 178.27 3kcv h THR 252 N -0.56 0.13 -0.01 -0.27 1.35 -1.04 -1.18 112.91 111.32 3kcv h THR 252 Ca -0.08 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3kcv h THR 252 Cb 1.33 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 3kcv h THR 252 CO 0.09 0.07 -0.33 0.47 -0.25 0.00 0.00 175.52 175.57 3kcv n ASP 253 N -2.91 1.38 0.00 5.36 10.43 0.55 -4.73 116.55 126.63 3kcv n ASP 253 Ca 0.01 -1.19 0.00 0.00 2.57 0.00 0.00 54.79 56.18 3kcv n ASP 253 Cb 0.59 0.53 0.00 0.00 1.84 0.00 0.00 41.12 44.08 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 -0.31 0.00 -0.15 -2.24 2.85 -0.90 -4.51 115.26 110.01 3kcv n ASN 254 Ca 0.05 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.49 3kcv n ASN 254 Cb 0.28 0.07 0.03 0.00 1.24 0.00 0.00 39.78 41.40 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 -0.54 0.87 1.20 5.85 -1.00 0.91 115.31 122.60 3kcv h LEU 255 Ca 0.00 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3kcv h LEU 255 Cb 0.00 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3kcv h LEU 255 CO 0.00 -0.19 -0.46 0.40 -0.34 0.00 0.00 178.44 177.85 3kcv h ILE 256 N -0.04 0.07 -0.01 4.05 2.04 -1.46 -0.27 117.51 121.89 3kcv h ILE 256 Ca 0.23 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.01 3kcv h ILE 256 Cb 0.39 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3kcv h ILE 256 CO -0.51 0.00 -0.35 -0.65 0.00 0.00 0.00 178.15 176.64 3kcv h PRO 257 N -1.22 0.02 -0.11 2.37 0.11 -1.79 -1.90 132.00 129.47 3kcv h PRO 257 Ca -0.12 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.90 3kcv h PRO 257 Cb 0.95 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3kcv h PRO 257 CO 0.17 0.37 -0.27 0.28 -0.21 0.00 0.00 178.00 178.34 3kcv h VAL 258 N 0.02 1.39 -0.59 3.15 2.07 -0.72 -1.19 116.25 120.38 3kcv h VAL 258 Ca -0.00 -1.58 0.02 0.00 0.82 0.00 0.00 66.70 65.96 3kcv h VAL 258 Cb 0.63 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 3kcv h VAL 258 CO 0.05 0.46 0.37 0.74 0.02 0.00 0.00 177.57 179.21 3kcv h THR 259 N -0.05 1.10 0.33 2.57 2.02 -0.97 0.11 112.91 118.01 3kcv h THR 259 Ca -0.00 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 3kcv h THR 259 Cb 0.88 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3kcv h THR 259 CO 0.06 0.14 -0.52 0.40 0.37 0.00 0.00 175.52 175.97 3kcv h ILE 260 N 0.74 0.01 -0.94 3.11 2.04 -1.33 -1.13 117.51 120.02 3kcv h ILE 260 Ca 0.23 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.27 3kcv h ILE 260 Cb -0.02 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 35.99 3kcv h ILE 260 CO -0.08 0.00 0.60 1.23 0.00 0.00 0.00 178.15 179.90 3kcv h GLY 261 N -0.89 1.22 0.98 5.37 0.00 -0.93 0.06 103.07 108.88 3kcv h GLY 261 Ca -0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3kcv h GLY 261 CO -0.17 0.01 0.18 3.43 0.00 0.00 0.00 176.54 179.99 3kcv h ASN 262 N 0.59 0.34 -0.73 0.19 -0.26 -0.30 0.84 115.58 116.26 3kcv h ASN 262 Ca 0.50 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 56.19 3kcv h ASN 262 Cb 0.98 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 38.12 3kcv h ASN 262 CO -0.24 0.28 0.43 0.40 -1.06 0.00 0.00 177.43 177.24 3kcv h ILE 263 N 0.37 1.21 0.00 2.81 2.04 0.21 -1.68 117.51 122.48 3kcv h ILE 263 Ca 0.10 -0.48 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 3kcv h ILE 263 Cb -0.00 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 3kcv h ILE 263 CO -0.02 0.22 -0.51 0.40 0.00 0.00 0.00 178.15 178.24 3kcv h ILE 264 N 1.02 1.10 -0.01 -0.67 2.04 -0.67 0.12 117.51 120.46 3kcv h ILE 264 Ca 0.27 -1.93 -0.00 0.00 1.00 0.00 0.00 64.86 64.19 3kcv h ILE 264 Cb -0.02 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3kcv h ILE 264 CO -0.05 0.50 -0.00 1.23 0.00 0.00 0.00 178.15 179.83 3kcv h GLY 265 N 2.26 0.01 1.55 5.37 0.00 0.00 0.09 103.07 112.36 3kcv h GLY 265 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 3kcv h GLY 265 CO 0.07 0.01 0.04 -1.33 0.00 0.00 0.00 176.54 175.32 3kcv h GLY 266 N -0.37 0.60 1.13 4.60 0.00 -1.33 -2.89 103.07 104.81 3kcv h GLY 266 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 3kcv h GLY 266 CO 0.00 0.32 0.26 -1.33 0.00 0.00 0.00 176.54 175.79 3kcv h GLY 267 N 0.83 1.18 1.25 4.60 0.00 -0.62 0.17 103.07 110.49 3kcv h GLY 267 Ca 0.12 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.71 3kcv h GLY 267 CO 0.01 0.62 0.00 1.41 0.00 0.00 0.00 176.54 178.58 3kcv h LEU 268 N 1.07 0.87 -0.03 3.11 3.38 -0.81 0.98 115.31 123.89 3kcv h LEU 268 Ca 0.24 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3kcv h LEU 268 Cb 0.25 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kcv h LEU 268 CO -0.01 0.93 -0.13 -0.07 0.09 0.00 0.00 178.44 179.24 3kcv h LEU 269 N 0.83 0.16 -0.10 1.67 3.38 -1.27 -1.13 115.31 118.85 3kcv h LEU 269 Ca 0.16 -0.67 0.04 0.00 0.09 0.00 0.00 57.88 57.50 3kcv h LEU 269 Cb 0.49 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3kcv h LEU 269 CO 0.02 0.80 -0.22 0.58 0.09 0.00 0.00 178.44 179.72 3kcv h VAL 270 N -0.47 0.46 -0.98 1.22 2.07 -0.94 0.26 116.25 117.88 3kcv h VAL 270 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 3kcv h VAL 270 Cb 0.80 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 3kcv h VAL 270 CO 0.03 0.00 0.60 1.23 0.02 0.00 0.00 177.57 179.45 3kcv h GLY 271 N -0.29 1.59 0.54 2.17 0.00 -0.81 0.43 103.07 106.69 3kcv h GLY 271 Ca 0.09 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 3kcv h GLY 271 CO -0.27 0.14 -0.23 -2.00 0.00 0.00 0.00 176.54 174.18 3kcv h LEU 272 N 0.95 0.26 -0.54 3.11 5.85 -0.62 -2.37 115.31 121.94 3kcv h LEU 272 Ca 0.49 -0.69 0.10 0.00 0.84 0.00 0.00 57.88 58.61 3kcv h LEU 272 Cb 0.49 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 3kcv h LEU 272 CO -0.27 0.91 0.08 0.74 -0.34 0.00 0.00 178.44 179.57 3kcv h THR 273 N -0.37 0.65 -0.73 1.05 2.02 -0.29 -1.55 112.91 113.68 3kcv h THR 273 Ca -0.02 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.13 3kcv h THR 273 Cb 0.92 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 3kcv h THR 273 CO 0.05 0.04 0.45 0.22 0.37 0.00 0.00 175.52 176.64 3kcv h TYR 274 N 0.21 0.83 -0.19 3.16 3.20 -0.86 -0.66 116.97 122.66 3kcv h TYR 274 Ca 0.28 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 3kcv h TYR 274 Cb 0.41 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3kcv h TYR 274 CO -0.26 0.44 -0.01 -1.49 -1.64 0.00 0.00 178.16 175.20 3kcv h TRP 275 N 0.85 0.37 0.00 -3.82 4.06 -1.07 -0.67 115.95 115.67 3kcv h TRP 275 Ca 0.31 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 61.19 3kcv h TRP 275 Cb 0.09 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3kcv h TRP 275 CO -0.05 0.55 0.00 0.28 -3.56 0.00 0.00 178.44 175.66 3kcv h VAL 276 N 0.08 0.00 0.07 1.49 2.07 -1.01 0.45 116.25 119.41 3kcv h VAL 276 Ca 0.05 -0.34 -0.30 0.00 0.82 0.00 0.00 66.70 66.94 3kcv h VAL 276 Cb 0.41 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3kcv h VAL 276 CO 0.01 0.00 -1.55 0.40 0.02 0.00 0.00 177.57 176.45 3kcv h ILE 277 N 0.00 1.10 0.00 4.57 2.04 -1.07 -1.89 117.51 122.26 3kcv h ILE 277 Ca 0.00 -2.81 0.00 0.00 1.00 0.00 0.00 64.86 63.05 3kcv h ILE 277 Cb 0.38 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 3kcv h ILE 277 CO 0.00 0.76 0.00 0.00 0.00 0.00 0.00 178.15 178.91 3kcv n TYR 278 N -3.34 0.00 -0.11 1.37 9.36 -0.27 -2.45 117.16 121.72 3kcv n TYR 278 Ca -0.16 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 60.85 3kcv n TYR 278 Cb 1.03 -0.43 -0.12 0.00 -0.63 0.00 0.00 39.34 39.20 3kcv n TYR 278 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 3kcv n LEU 279 N -1.43 2.71 0.00 2.98 0.00 0.06 -5.05 117.00 116.26 3kcv n LEU 279 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 56.01 56.06 3kcv n LEU 279 Cb 0.11 -0.92 0.02 0.00 0.00 0.00 0.00 43.42 42.64 3kcv n LEU 279 CO 0.10 0.84 0.27 0.54 0.00 0.00 0.00 177.39 179.13