#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3klz n GLY 24 N 0.00 0.09 0.04 8.31 0.00 -1.26 0.14 105.19 112.51 3klz n GLY 24 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3klz n GLY 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3klz n LYS 25 N 1.11 1.54 0.00 1.61 4.81 -1.26 -3.34 118.16 122.63 3klz n LYS 25 Ca 0.00 -0.04 0.11 0.00 -0.87 0.00 0.00 58.31 57.51 3klz n LYS 25 Cb 0.00 -1.30 0.04 0.00 0.02 0.00 0.00 35.03 33.80 3klz n LYS 25 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3klz n ALA 26 N -2.26 4.07 0.12 3.14 0.00 0.38 -2.90 120.51 123.05 3klz n ALA 26 Ca -0.13 -0.53 -0.22 0.00 0.00 0.00 0.00 53.44 52.56 3klz n ALA 26 Cb 0.69 -0.90 -0.15 0.00 0.00 0.00 0.00 19.45 19.09 3klz n ALA 26 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3klz h LYS 27 N 0.58 0.44 -0.03 0.00 1.63 -1.59 -3.00 116.57 114.61 3klz h LYS 27 Ca 0.00 -0.75 -0.20 0.00 -0.85 0.00 0.00 60.65 58.86 3klz h LYS 27 Cb 0.55 0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 3klz h LYS 27 CO 0.00 1.35 -0.82 0.87 -3.45 0.00 0.00 179.45 177.40 3klz h LYS 28 N 0.12 0.31 -0.26 1.90 1.57 -1.64 -2.83 116.57 115.74 3klz h LYS 28 Ca -0.25 -0.30 -0.14 0.00 -1.87 0.00 0.00 60.65 58.09 3klz h LYS 28 Cb 2.11 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.49 3klz h LYS 28 CO 0.23 0.98 -0.41 0.00 -0.57 0.00 0.00 179.45 179.68 3klz h ALA 29 N 0.93 0.79 -0.02 3.86 0.00 -1.63 -1.30 119.26 121.89 3klz h ALA 29 Ca -0.05 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3klz h ALA 29 Cb 1.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3klz h ALA 29 CO 0.13 0.65 0.00 0.00 0.00 0.00 0.00 179.25 180.04 3klz h ALA 30 N 1.03 0.03 -0.00 0.00 0.00 -1.54 -2.40 119.26 116.38 3klz h ALA 30 Ca 0.04 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3klz h ALA 30 Cb 0.93 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3klz h ALA 30 CO 0.08 -0.30 -0.09 1.88 0.00 0.00 0.00 179.25 180.82 3klz h TYR 31 N -0.26 -0.23 -0.74 0.00 -1.99 -1.39 0.47 116.97 112.84 3klz h TYR 31 Ca 0.01 0.01 0.14 0.00 2.00 0.00 0.00 58.73 60.89 3klz h TYR 31 Cb 0.32 0.10 -0.10 0.00 2.00 0.00 0.00 36.73 39.05 3klz h TYR 31 CO 0.03 -0.14 0.26 -0.22 -0.00 0.00 0.00 178.16 178.09 3klz h LYS 32 N -0.15 0.37 -0.46 4.88 3.64 -1.30 0.36 116.57 123.91 3klz h LYS 32 Ca 0.04 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3klz h LYS 32 Cb 0.20 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3klz h LYS 32 CO -0.09 0.25 0.14 1.03 -2.27 0.00 0.00 179.45 178.50 3klz h SER 33 N 0.38 0.67 -0.14 4.20 0.87 -0.82 -0.13 113.55 118.59 3klz h SER 33 Ca 0.41 -0.21 0.03 0.00 -1.23 0.00 0.00 61.79 60.79 3klz h SER 33 Cb 0.64 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 3klz h SER 33 CO -0.43 0.70 -0.04 0.15 -0.53 0.00 0.00 176.83 176.69 3klz h PHE 34 N 0.61 -0.08 -0.81 2.24 3.57 -0.01 -0.71 116.94 121.74 3klz h PHE 34 Ca 0.15 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.68 3klz h PHE 34 Cb 0.28 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 3klz h PHE 34 CO 0.01 -0.06 0.52 -0.07 -2.23 0.00 0.00 178.31 176.49 3klz h LEU 35 N -0.00 0.88 -0.90 0.59 3.38 -0.54 -0.30 115.31 118.42 3klz h LEU 35 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3klz h LEU 35 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3klz h LEU 35 CO -0.15 0.62 0.00 -0.07 0.09 0.00 0.00 178.44 178.93 3klz h LEU 36 N 1.04 0.00 0.15 1.67 3.38 -0.79 -2.40 115.31 118.36 3klz h LEU 36 Ca 0.32 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.00 3klz h LEU 36 Cb -0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.73 3klz h LEU 36 CO -0.10 0.00 -1.31 0.00 0.09 0.00 0.00 178.44 177.12 3klz h ALA 37 N 2.02 0.06 -0.90 1.53 0.00 0.03 -0.96 119.26 121.03 3klz h ALA 37 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 54.91 54.02 3klz h ALA 37 Cb 0.69 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3klz h ALA 37 CO 0.00 0.93 0.60 0.82 0.00 0.00 0.00 179.25 181.60 3klz h ILE 38 N 0.09 1.22 -0.10 0.00 2.04 -0.89 -1.27 117.51 118.60 3klz h ILE 38 Ca -0.17 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 3klz h ILE 38 Cb 2.02 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3klz h ILE 38 CO 0.22 0.22 -0.15 -1.28 0.00 0.00 0.00 178.15 177.15 3klz h SER 39 N 1.21 0.31 -0.87 1.72 0.87 -1.44 -2.17 113.55 113.17 3klz h SER 39 Ca 0.33 -0.53 0.02 0.00 -1.23 0.00 0.00 61.79 60.38 3klz h SER 39 Cb -0.13 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 61.70 3klz h SER 39 CO -0.07 0.78 0.58 0.00 -0.53 0.00 0.00 176.83 177.58 3klz h ALA 40 N 0.54 1.41 -0.75 6.23 0.00 -1.33 0.39 119.26 125.75 3klz h ALA 40 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3klz h ALA 40 Cb 0.71 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3klz h ALA 40 CO 0.03 0.53 0.39 0.78 0.00 0.00 0.00 179.25 180.98 3klz h GLY 41 N 1.15 1.13 0.94 0.00 0.00 -1.08 0.53 103.07 105.75 3klz h GLY 41 Ca 0.33 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3klz h GLY 41 CO -0.08 0.51 0.09 -2.22 0.00 0.00 0.00 176.54 174.84 3klz h ILE 42 N 1.04 1.23 -0.38 2.60 2.04 -0.95 -1.92 117.51 121.18 3klz h ILE 42 Ca 0.26 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 3klz h ILE 42 Cb 0.07 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3klz h ILE 42 CO -0.04 0.29 0.06 1.56 0.00 0.00 0.00 178.15 180.02 3klz h GLN 43 N 0.54 0.64 -0.65 2.37 4.20 -0.36 -0.86 115.11 120.99 3klz h GLN 43 Ca 0.13 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3klz h GLN 43 Cb 0.33 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 3klz h GLN 43 CO 0.00 0.69 0.21 0.82 -0.67 0.00 0.00 178.83 179.89 3klz h ILE 44 N 0.48 1.24 -0.41 2.54 1.08 -0.95 -2.49 117.51 119.00 3klz h ILE 44 Ca 0.12 -0.80 -0.04 0.00 -0.39 0.00 0.00 64.86 63.75 3klz h ILE 44 Cb 0.37 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 3klz h ILE 44 CO 0.01 0.31 0.10 1.23 -0.69 0.00 0.00 178.15 179.11 3klz h GLY 45 N 1.04 0.66 1.21 5.37 0.00 -0.96 -1.54 103.07 108.86 3klz h GLY 45 Ca 0.21 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3klz h GLY 45 CO -0.01 0.33 0.38 -2.22 0.00 0.00 0.00 176.54 175.02 3klz h ILE 46 N 0.60 1.22 -0.44 2.60 2.04 -0.86 -0.43 117.51 122.24 3klz h ILE 46 Ca 0.14 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3klz h ILE 46 Cb 0.23 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 3klz h ILE 46 CO -0.00 0.26 0.29 0.00 0.00 0.00 0.00 178.15 178.70 3klz h ALA 47 N 1.39 0.56 -0.57 1.87 0.00 -0.85 -0.30 119.26 121.35 3klz h ALA 47 Ca 0.26 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3klz h ALA 47 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3klz h ALA 47 CO -0.04 0.01 0.10 0.74 0.00 0.00 0.00 179.25 180.06 3klz h PHE 48 N 0.60 0.96 -0.56 0.00 0.04 -1.04 0.94 116.94 117.89 3klz h PHE 48 Ca 0.16 -0.11 0.02 0.00 2.80 0.00 0.00 57.97 60.84 3klz h PHE 48 Cb -0.07 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.77 3klz h PHE 48 CO -0.04 0.82 0.35 0.28 -0.60 0.00 0.00 178.31 179.11 3klz h VAL 49 N 0.87 1.08 0.23 -0.55 2.07 -0.70 -0.90 116.25 118.35 3klz h VAL 49 Ca 0.18 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3klz h VAL 49 Cb 0.38 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3klz h VAL 49 CO 0.01 0.13 -0.11 0.15 0.02 0.00 0.00 177.57 177.76 3klz h PHE 50 N 0.69 -0.28 -0.92 1.57 3.57 -0.77 -1.50 116.94 119.30 3klz h PHE 50 Ca 0.22 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.90 3klz h PHE 50 Cb -0.00 0.09 -0.11 0.00 2.79 0.00 0.00 35.95 38.72 3klz h PHE 50 CO -0.05 -0.08 0.49 -0.92 -2.23 0.00 0.00 178.31 175.51 3klz h TYR 51 N -0.43 0.84 -0.22 0.41 5.03 -0.71 -1.17 116.97 120.72 3klz h TYR 51 Ca -0.03 0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.24 3klz h TYR 51 Cb 0.33 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.37 3klz h TYR 51 CO -0.03 0.13 -0.17 1.15 -1.32 0.00 0.00 178.16 177.92 3klz h THR 52 N 0.60 1.32 -0.06 1.81 2.02 -0.82 -1.96 112.91 115.82 3klz h THR 52 Ca 0.54 -1.30 0.04 0.00 0.77 0.00 0.00 66.41 66.45 3klz h THR 52 Cb 0.88 1.68 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 3klz h THR 52 CO -0.42 0.40 -0.28 0.58 0.37 0.00 0.00 175.52 176.17 3klz h VAL 53 N 0.20 0.36 -0.71 3.16 2.07 -0.89 -2.63 116.25 117.81 3klz h VAL 53 Ca 0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 3klz h VAL 53 Cb 0.70 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3klz h VAL 53 CO 0.04 0.00 0.38 0.58 0.02 0.00 0.00 177.57 178.60 3klz h VAL 54 N -0.39 1.21 -0.09 2.57 2.07 -1.10 -2.07 116.25 118.45 3klz h VAL 54 Ca 0.08 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3klz h VAL 54 Cb 0.51 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3klz h VAL 54 CO -0.28 0.24 0.00 0.35 0.02 0.00 0.00 177.57 177.90 3klz n THR 55 N -4.36 0.10 -2.37 2.57 -2.24 -0.75 -4.89 114.28 102.34 3klz n THR 55 Ca 0.07 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 3klz n THR 55 Cb 0.10 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 3klz n THR 55 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3klz s THR 56 N -1.90 3.86 -0.07 4.28 2.01 -0.78 -3.21 115.64 119.84 3klz s THR 56 Ca 0.35 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.71 3klz s THR 56 Cb 0.20 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.84 3klz s THR 56 CO 0.30 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 3klz n GLY 57 N 3.18 0.44 0.55 4.40 0.00 -1.26 -4.95 105.19 107.55 3klz n GLY 57 Ca 0.09 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 45.19 3klz n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3klz n ALA 58 N 1.01 2.49 -0.32 4.61 0.00 -1.20 -4.61 120.51 122.49 3klz n ALA 58 Ca -0.01 -0.53 0.09 0.00 0.00 0.00 0.00 53.44 52.99 3klz n ALA 58 Cb 0.02 -1.04 0.20 0.00 0.00 0.00 0.00 19.45 18.63 3klz n ALA 58 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3klz h HIS 59 N 1.94 -0.23 0.00 0.00 2.07 -1.92 0.22 115.15 117.23 3klz h HIS 59 Ca 0.00 0.07 0.00 0.00 -2.85 0.00 0.00 60.37 57.59 3klz h HIS 59 Cb 0.44 0.25 0.00 0.00 2.57 0.00 0.00 27.41 30.66 3klz h HIS 59 CO 0.16 -0.38 -0.06 -0.25 -3.07 0.00 0.00 177.93 174.33 3klz n ASP 60 N -5.50 0.33 -4.83 3.10 8.00 -1.26 -4.83 116.55 111.55 3klz n ASP 60 Ca 0.18 0.46 -0.31 0.00 0.71 0.00 0.00 54.79 55.82 3klz n ASP 60 Cb 0.58 -0.51 0.02 0.00 -0.02 0.00 0.00 41.12 41.19 3klz n ASP 60 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3klz s MET 61 N -3.04 3.35 0.47 -1.24 -1.94 0.75 -4.99 119.30 112.66 3klz s MET 61 Ca 0.12 0.94 -0.24 0.00 -1.71 0.00 0.00 55.69 54.80 3klz s MET 61 Cb 0.16 -2.05 -0.07 0.00 2.01 0.00 0.00 34.83 34.89 3klz s MET 61 CO 0.57 -0.77 1.41 -2.14 -0.01 0.00 0.00 175.02 174.08 3klz s PRO 62 N -4.77 3.56 0.16 2.03 0.02 -1.26 -4.90 135.00 129.84 3klz s PRO 62 Ca 0.58 2.38 -0.26 0.00 0.02 0.00 0.00 61.00 63.72 3klz s PRO 62 Cb -0.13 -2.56 0.01 0.00 0.02 0.00 0.00 34.50 31.84 3klz s PRO 62 CO 0.48 -0.91 1.58 -0.92 -0.33 0.00 0.00 177.00 176.90 3klz h TYR 63 N 2.12 -1.18 -0.84 6.54 5.03 -1.93 -2.52 116.97 124.19 3klz h TYR 63 Ca -0.51 0.07 -0.02 0.00 2.58 0.00 0.00 58.73 60.85 3klz h TYR 63 Cb 1.27 0.58 -0.04 0.00 1.55 0.00 0.00 36.73 40.09 3klz h TYR 63 CO 0.49 -0.43 0.45 0.78 -1.32 0.00 0.00 178.16 178.13 3klz h GLY 64 N -0.31 1.27 0.97 1.82 0.00 -1.98 -2.55 103.07 102.29 3klz h GLY 64 Ca 0.15 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3klz h GLY 64 CO -0.57 0.56 0.17 -2.08 0.00 0.00 0.00 176.54 174.62 3klz h VAL 65 N 1.18 1.23 -0.47 4.60 2.07 -1.90 0.10 116.25 123.05 3klz h VAL 65 Ca 0.29 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 67.10 3klz h VAL 65 Cb 0.05 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3klz h VAL 65 CO -0.05 0.28 0.27 0.74 0.02 0.00 0.00 177.57 178.83 3klz h THR 66 N 0.69 1.02 -0.50 2.57 2.02 -1.37 -0.03 112.91 117.32 3klz h THR 66 Ca 0.17 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3klz h THR 66 Cb 0.25 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3klz h THR 66 CO -0.01 0.10 0.24 0.11 0.37 0.00 0.00 175.52 176.33 3klz h LYS 67 N 0.53 0.72 0.27 6.66 1.79 -1.14 -1.70 116.57 123.70 3klz h LYS 67 Ca 0.20 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 3klz h LYS 67 Cb 0.05 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 3klz h LYS 67 CO -0.11 0.60 -0.13 1.25 -1.08 0.00 0.00 179.45 179.99 3klz h LEU 68 N 0.67 -0.31 -0.63 2.94 5.85 -0.69 0.19 115.31 123.32 3klz h LEU 68 Ca 0.17 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.00 3klz h LEU 68 Cb 0.12 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 3klz h LEU 68 CO -0.02 -0.22 0.25 -0.07 -0.34 0.00 0.00 178.44 178.03 3klz h LEU 69 N -0.37 0.25 -0.69 2.25 3.38 -0.89 0.82 115.31 120.06 3klz h LEU 69 Ca -0.04 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3klz h LEU 69 Cb 0.28 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3klz h LEU 69 CO 0.06 0.14 0.40 1.23 0.09 0.00 0.00 178.44 180.36 3klz h GLY 70 N 0.43 1.01 0.98 0.83 0.00 -0.98 -1.92 103.07 103.42 3klz h GLY 70 Ca 0.32 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3klz h GLY 70 CO -0.32 0.42 0.23 -1.33 0.00 0.00 0.00 176.54 175.55 3klz h GLY 71 N 0.94 0.85 0.96 4.60 0.00 0.57 -1.32 103.07 109.67 3klz h GLY 71 Ca 0.24 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3klz h GLY 71 CO -0.04 0.43 0.16 1.41 0.00 0.00 0.00 176.54 178.49 3klz h LEU 72 N 0.73 0.36 -1.08 3.11 3.38 -0.62 -2.59 115.31 118.59 3klz h LEU 72 Ca 0.18 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3klz h LEU 72 Cb 0.17 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3klz h LEU 72 CO -0.02 0.33 0.30 0.00 0.09 0.00 0.00 178.44 179.15 3klz h ALA 73 N 1.04 1.28 0.00 1.53 0.00 -1.16 -2.78 119.26 119.17 3klz h ALA 73 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3klz h ALA 73 Cb 0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3klz h ALA 73 CO -0.02 0.55 -0.06 0.35 0.00 0.00 0.00 179.25 180.07 3klz h PHE 74 N 0.95 0.00 -0.04 0.00 3.04 -0.85 -2.52 116.94 117.52 3klz h PHE 74 Ca 0.23 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.19 3klz h PHE 74 Cb 0.12 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 3klz h PHE 74 CO 0.01 0.06 0.04 0.66 -2.02 0.00 0.00 178.31 177.06 3klz h SER 75 N 0.00 0.00 -0.97 0.41 4.64 -1.33 -1.01 113.55 115.29 3klz h SER 75 Ca -0.00 0.00 0.30 0.00 -0.47 0.00 0.00 61.79 61.62 3klz h SER 75 Cb 0.21 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.15 3klz h SER 75 CO 0.01 0.00 0.44 0.25 -0.87 0.00 0.00 176.83 176.66 3klz h LEU 76 N 0.00 0.29 -0.19 5.97 5.85 -1.64 -1.52 115.31 124.07 3klz h LEU 76 Ca 0.02 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3klz h LEU 76 Cb 0.10 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3klz h LEU 76 CO -0.00 -0.18 0.06 1.23 -0.34 0.00 0.00 178.44 179.21 3klz h GLY 77 N 0.24 0.32 1.46 3.75 0.00 -1.40 -0.34 103.07 107.09 3klz h GLY 77 Ca 0.68 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.69 3klz h GLY 77 CO -0.65 0.17 -0.44 -2.00 0.00 0.00 0.00 176.54 173.62 3klz h LEU 78 N 0.13 0.63 -0.40 3.11 5.85 -1.68 -1.82 115.31 121.13 3klz h LEU 78 Ca 0.06 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.54 3klz h LEU 78 Cb 0.23 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3klz h LEU 78 CO -0.00 0.99 0.11 0.40 -0.34 0.00 0.00 178.44 179.60 3klz h ILE 79 N 0.48 0.84 -0.28 4.05 2.04 -0.98 -0.54 117.51 123.11 3klz h ILE 79 Ca 0.03 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3klz h ILE 79 Cb 0.96 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3klz h ILE 79 CO 0.09 0.05 0.17 -0.07 0.00 0.00 0.00 178.15 178.38 3klz h LEU 80 N 0.26 0.34 -0.10 1.44 3.38 -1.00 -1.85 115.31 117.76 3klz h LEU 80 Ca 0.19 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3klz h LEU 80 Cb 0.20 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3klz h LEU 80 CO -0.22 0.29 0.06 0.58 0.09 0.00 0.00 178.44 179.24 3klz h VAL 81 N 0.36 1.05 -0.27 1.22 2.07 -0.98 -1.50 116.25 118.20 3klz h VAL 81 Ca 0.10 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 3klz h VAL 81 Cb 0.01 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3klz h VAL 81 CO -0.02 0.05 -0.04 0.58 0.02 0.00 0.00 177.57 178.16 3klz h VAL 82 N 0.11 1.27 -0.01 2.57 2.07 -1.11 0.81 116.25 121.96 3klz h VAL 82 Ca 0.04 -1.01 -0.23 0.00 0.82 0.00 0.00 66.70 66.31 3klz h VAL 82 Cb 0.02 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3klz h VAL 82 CO -0.01 0.32 -0.94 0.40 0.02 0.00 0.00 177.57 177.36 3klz h ILE 83 N 0.27 1.36 -0.01 4.57 2.04 -1.28 -3.18 117.51 121.29 3klz h ILE 83 Ca 0.07 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.58 3klz h ILE 83 Cb 0.49 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 3klz h ILE 83 CO 0.02 0.71 -0.03 0.35 0.00 0.00 0.00 178.15 179.20 3klz n THR 84 N -3.79 0.00 -1.71 -0.27 -2.24 -0.57 -4.95 114.28 100.75 3klz n THR 84 Ca -0.08 -0.21 -0.02 0.00 -2.27 0.00 0.00 64.05 61.48 3klz n THR 84 Cb 0.83 0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 69.44 3klz n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3klz n GLY 85 N 1.18 0.37 3.77 3.38 0.00 -0.77 -5.02 105.19 108.10 3klz n GLY 85 Ca 0.18 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 3klz n GLY 85 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3klz s GLY 86 N -2.95 2.10 -0.50 -0.02 0.00 0.21 -4.98 107.32 101.18 3klz s GLY 86 Ca 0.00 0.52 -0.13 0.00 0.00 0.00 0.00 44.72 45.11 3klz s GLY 86 CO 0.00 0.88 0.41 -0.54 0.00 0.00 0.00 173.10 173.85 3klz s GLU 87 N -4.19 2.80 -0.29 2.90 2.02 -0.43 -4.82 118.70 116.69 3klz s GLU 87 Ca 0.66 -1.64 -0.14 0.00 0.02 0.00 0.00 54.97 53.88 3klz s GLU 87 Cb -0.20 -4.11 -0.03 0.00 0.10 0.00 0.00 34.13 29.88 3klz s GLU 87 CO 0.44 -1.20 0.31 -1.17 0.02 0.00 0.00 175.26 173.66 3klz s LEU 88 N 1.52 4.16 0.16 1.80 2.96 -1.26 -4.09 118.68 123.93 3klz s LEU 88 Ca 0.04 0.04 -0.08 0.00 -0.22 0.00 0.00 54.13 53.90 3klz s LEU 88 Cb -0.27 -2.30 0.22 0.00 0.50 0.00 0.00 46.19 44.33 3klz s LEU 88 CO 0.02 -0.19 1.00 0.33 -1.32 0.00 0.00 176.35 176.19 3klz n PHE 89 N 5.26 0.11 -0.02 5.38 7.35 -1.26 -1.59 117.46 132.69 3klz n PHE 89 Ca -0.10 0.79 -0.11 0.00 -0.76 0.00 0.00 57.45 57.26 3klz n PHE 89 Cb 0.51 -0.80 -0.05 0.00 0.35 0.00 0.00 39.48 39.48 3klz n PHE 89 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 3klz h THR 90 N 0.00 1.11 -0.38 -2.13 1.35 -1.95 -2.80 112.91 108.10 3klz h THR 90 Ca 0.26 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 3klz h THR 90 Cb 0.42 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3klz h THR 90 CO -0.65 0.10 0.00 -1.54 -0.25 0.00 0.00 175.52 173.18 3klz n SER 91 N -4.94 2.04 0.30 5.36 3.41 -0.62 -3.93 113.62 115.25 3klz n SER 91 Ca -0.05 -2.00 0.19 0.00 -0.26 0.00 0.00 58.87 56.75 3klz n SER 91 Cb 0.08 -0.26 0.93 0.00 -0.26 0.00 0.00 64.21 64.71 3klz n SER 91 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3klz h SER 92 N 2.23 0.00 0.00 4.04 0.02 -1.04 -3.36 113.55 115.44 3klz h SER 92 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3klz h SER 92 Cb 0.51 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3klz h SER 92 CO 0.00 0.01 -0.05 0.55 -1.14 0.00 0.00 176.83 176.20 3klz n VAL 93 N -3.14 1.73 -0.07 2.27 3.14 -1.25 -3.84 118.33 117.16 3klz n VAL 93 Ca -0.01 -0.62 0.07 0.00 -2.96 0.00 0.00 64.34 60.82 3klz n VAL 93 Cb 0.20 -1.54 0.17 0.00 -1.06 0.00 0.00 33.84 31.61 3klz n VAL 93 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3klz n LEU 94 N 1.98 3.00 -4.05 6.55 -0.00 -1.26 -4.86 117.00 118.37 3klz n LEU 94 Ca 0.11 -1.81 -0.32 0.00 -0.00 0.00 0.00 56.01 53.99 3klz n LEU 94 Cb 0.47 -0.24 -0.15 0.00 -0.00 0.00 0.00 43.42 43.50 3klz n LEU 94 CO 0.05 0.72 -0.47 -0.63 -0.00 0.00 0.00 177.39 177.07 3klz s ILE 95 N -1.04 1.97 0.00 1.47 1.01 -1.25 -5.03 121.20 118.34 3klz s ILE 95 Ca 0.27 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.56 3klz s ILE 95 Cb 0.15 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.57 3klz s ILE 95 CO 0.20 0.09 0.00 -0.11 0.00 0.00 0.00 174.94 175.11 3klz n LEU 96 N 4.54 0.00 -0.02 2.97 -0.00 -1.26 -4.86 117.00 118.36 3klz n LEU 96 Ca -0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.73 3klz n LEU 96 Cb 0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.78 3klz n LEU 96 CO 0.21 0.00 0.50 1.62 -0.00 0.00 0.00 177.39 179.73 3klz h VAL 97 N 0.00 0.00 0.00 1.96 3.04 -1.95 -2.69 116.25 116.60 3klz h VAL 97 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3klz h VAL 97 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.28 3klz h VAL 97 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 3klz n ALA 98 N -2.96 0.00 -3.65 3.17 0.00 -1.26 -1.15 120.51 114.66 3klz n ALA 98 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.03 3klz n ALA 98 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 3klz n ALA 98 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3klz s LYS 99 N 0.00 3.22 0.00 0.00 2.20 -1.26 -4.63 119.74 119.27 3klz s LYS 99 Ca 0.00 -3.26 0.00 0.00 -0.36 0.00 0.00 55.97 52.35 3klz s LYS 99 Cb 0.00 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 3klz s LYS 99 CO 0.00 -1.26 0.00 0.00 -0.36 0.00 0.00 175.35 173.73 3klz n ALA 100 N 2.36 -0.16 -3.56 3.13 0.00 -1.18 -2.53 120.51 118.55 3klz n ALA 100 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.43 3klz n ALA 100 Cb 0.37 -0.41 0.08 0.00 0.00 0.00 0.00 19.45 19.48 3klz n ALA 100 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3klz n SER 101 N -0.99 -4.60 -0.68 0.00 2.88 -0.30 -1.85 113.62 108.09 3klz n SER 101 Ca 0.00 -0.59 -0.06 0.00 -1.33 0.00 0.00 58.87 56.89 3klz n SER 101 Cb 0.41 -4.96 -0.00 0.00 -0.75 0.00 0.00 64.21 58.91 3klz n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3klz n GLY 102 N -1.68 0.13 1.24 0.46 0.00 -1.02 -3.91 105.19 100.42 3klz n GLY 102 Ca -0.10 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.36 3klz n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3klz n LYS 103 N -1.57 -3.05 -0.35 1.61 4.76 -0.77 -4.74 118.16 114.04 3klz n LYS 103 Ca -0.07 2.44 0.00 0.00 -2.87 0.00 0.00 58.31 57.81 3klz n LYS 103 Cb 0.55 -3.27 0.00 0.00 -1.84 0.00 0.00 35.03 30.47 3klz n LYS 103 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3klz n ILE 104 N -3.27 0.00 -3.06 -0.18 5.41 -1.26 -4.35 119.36 112.65 3klz n ILE 104 Ca -0.04 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.61 3klz n ILE 104 Cb 0.50 -0.19 0.01 0.00 -0.71 0.00 0.00 39.64 39.25 3klz n ILE 104 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3klz n SER 105 N 0.00 -7.02 0.00 4.38 7.64 -0.85 -2.90 113.62 114.87 3klz n SER 105 Ca 0.00 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.50 3klz n SER 105 Cb 0.00 -3.33 0.00 0.00 -1.01 0.00 0.00 64.21 59.87 3klz n SER 105 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3klz n TRP 106 N 0.56 0.00 0.61 1.43 7.02 -1.25 -4.48 117.44 121.33 3klz n TRP 106 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3klz n TRP 106 Cb 0.39 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.28 3klz n TRP 106 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3klz n LYS 107 N 0.00 0.31 0.00 -0.99 5.02 -1.14 0.13 118.16 121.49 3klz n LYS 107 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3klz n LYS 107 Cb 0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3klz n LYS 107 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3klz n GLU 108 N -0.51 3.09 0.09 1.97 0.00 -1.26 -4.37 120.64 119.65 3klz n GLU 108 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 3klz n GLU 108 Cb 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 31.44 30.50 3klz n GLU 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3klz h LEU 109 N 0.00 -0.21 -0.90 4.31 7.12 -0.54 0.52 115.31 125.61 3klz h LEU 109 Ca 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.01 3klz h LEU 109 Cb 0.74 0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.89 3klz h LEU 109 CO 0.00 -0.09 0.54 -0.37 -0.13 0.00 0.00 178.44 178.38 3klz h VAL 110 N -0.38 1.25 -0.61 1.05 -1.51 -0.97 0.98 116.25 116.06 3klz h VAL 110 Ca -0.03 -0.56 0.12 0.00 -1.23 0.00 0.00 66.70 65.01 3klz h VAL 110 Cb 0.19 -0.01 -0.09 0.00 -2.13 0.00 0.00 31.29 29.25 3klz h VAL 110 CO 0.04 0.27 0.09 -0.09 -1.23 0.00 0.00 177.57 176.64 3klz h ARG 111 N 1.24 0.20 -0.37 5.19 9.65 -1.63 -1.13 114.38 127.54 3klz h ARG 111 Ca 0.32 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.17 3klz h ARG 111 Cb -0.04 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 3klz h ARG 111 CO -0.06 0.13 0.13 -0.97 2.80 0.00 0.00 179.97 182.01 3klz h ASN 112 N 0.20 0.51 -0.97 -3.80 -1.24 0.15 -2.76 115.58 107.67 3klz h ASN 112 Ca 0.32 -0.18 0.06 0.00 0.71 0.00 0.00 56.30 57.21 3klz h ASN 112 Cb 0.51 -0.13 -0.06 0.00 0.73 0.00 0.00 38.32 39.36 3klz h ASN 112 CO -0.45 0.56 0.63 -0.50 -1.29 0.00 0.00 177.43 176.37 3klz h TRP 113 N 0.44 1.16 -0.35 0.67 4.06 -0.09 -1.28 115.95 120.57 3klz h TRP 113 Ca 0.12 0.03 -0.14 0.00 2.06 0.00 0.00 58.89 60.96 3klz h TRP 113 Cb 0.21 -0.38 -0.01 0.00 -1.00 0.00 0.00 29.16 27.98 3klz h TRP 113 CO 0.00 0.61 -0.35 1.15 -3.56 0.00 0.00 178.44 176.29 3klz h THR 114 N 1.15 1.28 0.09 1.49 2.02 -1.14 0.11 112.91 117.91 3klz h THR 114 Ca 0.42 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 3klz h THR 114 Cb 0.14 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3klz h THR 114 CO -0.16 0.50 -0.04 0.58 0.37 0.00 0.00 175.52 176.76 3klz h VAL 115 N 0.66 1.02 0.18 3.16 2.07 -1.14 -1.62 116.25 120.58 3klz h VAL 115 Ca 0.06 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3klz h VAL 115 Cb 0.90 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3klz h VAL 115 CO 0.08 0.09 -0.09 0.58 0.02 0.00 0.00 177.57 178.26 3klz h VAL 116 N -0.28 0.84 -0.12 2.57 2.07 -1.13 0.14 116.25 120.34 3klz h VAL 116 Ca -0.01 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3klz h VAL 116 Cb 0.24 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 3klz h VAL 116 CO 0.02 0.02 -0.24 0.22 0.02 0.00 0.00 177.57 177.61 3klz h TYR 117 N -0.27 -0.64 -0.44 1.57 3.20 -0.80 0.63 116.97 120.22 3klz h TYR 117 Ca -0.02 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 3klz h TYR 117 Cb 0.21 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3klz h TYR 117 CO -0.06 -0.32 -0.01 0.35 -1.64 0.00 0.00 178.16 176.48 3klz h PHE 118 N -0.31 0.76 -0.23 -3.82 3.57 -1.19 0.94 116.94 116.66 3klz h PHE 118 Ca 0.10 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3klz h PHE 118 Cb 0.45 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3klz h PHE 118 CO -0.33 0.72 0.11 0.78 -2.23 0.00 0.00 178.31 177.35 3klz h GLY 119 N 0.95 0.36 0.31 2.40 0.00 -0.09 -0.31 103.07 106.70 3klz h GLY 119 Ca 0.13 -0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.35 3klz h GLY 119 CO 0.02 0.18 -0.04 3.43 0.00 0.00 0.00 176.54 180.13 3klz h ASN 120 N 0.24 -0.24 0.05 0.19 2.35 0.85 -0.03 115.58 118.99 3klz h ASN 120 Ca 0.08 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3klz h ASN 120 Cb 0.14 0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 3klz h ASN 120 CO -0.01 -0.08 -0.16 0.25 -1.65 0.00 0.00 177.43 175.78 3klz h LEU 121 N 0.06 -0.47 -0.60 1.61 5.85 -0.67 -1.31 115.31 119.79 3klz h LEU 121 Ca 0.19 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.05 3klz h LEU 121 Cb 0.28 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 3klz h LEU 121 CO -0.35 -0.23 0.25 0.00 -0.34 0.00 0.00 178.44 177.77 3klz h GLY 123 N 0.46 1.05 1.01 0.00 0.00 -0.79 -1.46 103.07 103.33 3klz h GLY 123 Ca 0.29 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3klz h GLY 123 CO -0.26 0.41 0.48 1.76 0.00 0.00 0.00 176.54 178.92 3klz h SER 124 N 1.00 0.91 -0.24 0.19 0.02 -0.56 -2.50 113.55 112.37 3klz h SER 124 Ca 0.27 -0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.97 3klz h SER 124 Cb -0.07 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.24 3klz h SER 124 CO -0.05 0.69 -0.60 0.40 -1.14 0.00 0.00 176.83 176.13 3klz h ILE 125 N 1.05 1.28 -0.83 3.27 1.08 -0.80 -1.90 117.51 120.66 3klz h ILE 125 Ca 0.28 -1.79 0.08 0.00 -0.39 0.00 0.00 64.86 63.04 3klz h ILE 125 Cb -0.06 1.77 -0.07 0.00 -3.07 0.00 0.00 36.82 35.39 3klz h ILE 125 CO -0.05 0.58 0.49 0.40 -0.69 0.00 0.00 178.15 178.87 3klz h ILE 126 N 0.58 0.96 -0.14 -0.67 2.04 -1.20 -1.68 117.51 117.39 3klz h ILE 126 Ca -0.01 -0.29 -0.13 0.00 1.00 0.00 0.00 64.86 65.43 3klz h ILE 126 Cb 1.21 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3klz h ILE 126 CO 0.13 0.16 -0.47 0.25 0.00 0.00 0.00 178.15 178.21 3klz h LEU 127 N 0.85 0.40 -0.47 1.44 5.85 -1.25 -2.25 115.31 119.88 3klz h LEU 127 Ca 0.38 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3klz h LEU 127 Cb 0.28 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3klz h LEU 127 CO -0.21 0.81 0.26 0.58 -0.34 0.00 0.00 178.44 179.54 3klz h VAL 128 N 0.30 1.17 -0.44 1.05 2.07 -0.50 0.34 116.25 120.23 3klz h VAL 128 Ca 0.02 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3klz h VAL 128 Cb 0.94 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3klz h VAL 128 CO 0.08 0.17 0.13 -0.26 0.02 0.00 0.00 177.57 177.71 3klz h PHE 129 N 0.62 0.72 -0.43 1.57 0.04 -1.27 -0.76 116.94 117.43 3klz h PHE 129 Ca 0.17 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 3klz h PHE 129 Cb 0.05 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 3klz h PHE 129 CO -0.02 0.66 0.04 0.82 -0.60 0.00 0.00 178.31 179.21 3klz h ILE 130 N 0.58 1.25 -0.28 -0.55 2.04 -1.20 -1.49 117.51 117.86 3klz h ILE 130 Ca 0.14 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 3klz h ILE 130 Cb 0.28 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3klz h ILE 130 CO -0.00 0.33 -0.10 0.24 0.00 0.00 0.00 178.15 178.62 3klz h MET 131 N 0.58 0.47 -0.52 2.37 2.86 -0.88 -1.57 114.93 118.24 3klz h MET 131 Ca 0.13 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 3klz h MET 131 Cb 0.43 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 3klz h MET 131 CO 0.01 0.57 -0.05 -0.07 1.06 0.00 0.00 176.91 178.44 3klz h LEU 132 N 0.44 0.89 -1.48 1.22 3.38 -0.86 -2.69 115.31 116.21 3klz h LEU 132 Ca 0.09 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3klz h LEU 132 Cb 0.44 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3klz h LEU 132 CO 0.02 0.98 -0.22 0.00 0.09 0.00 0.00 178.44 179.32 3klz h ALA 133 N 1.11 1.57 0.00 1.53 0.00 -0.34 -2.15 119.26 120.98 3klz h ALA 133 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3klz h ALA 133 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3klz h ALA 133 CO 0.03 0.32 0.00 1.79 0.00 0.00 0.00 179.25 181.39 3klz h THR 134 N 0.06 0.00 -2.50 0.00 1.35 -1.01 -3.46 112.91 107.35 3klz h THR 134 Ca 0.01 -0.45 -0.34 0.00 -0.55 0.00 0.00 66.41 65.07 3klz h THR 134 Cb 0.42 1.35 -0.06 0.00 -1.73 0.00 0.00 68.15 68.12 3klz h THR 134 CO 0.03 0.00 -0.39 0.54 -0.25 0.00 0.00 175.52 175.45 3klz n ARG 135 N -2.63 -1.71 -0.08 4.72 1.74 -0.81 -4.86 116.66 113.03 3klz n ARG 135 Ca 0.02 0.90 0.18 0.00 -0.77 0.00 0.00 57.85 58.18 3klz n ARG 135 Cb 0.32 -5.41 0.59 0.00 -1.02 0.00 0.00 32.46 26.95 3klz n ARG 135 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3klz h GLN 136 N 0.00 0.21 -0.39 5.56 4.15 -1.85 -1.46 115.11 121.34 3klz h GLN 136 Ca -0.38 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.14 3klz h GLN 136 Cb 1.22 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.85 3klz h GLN 136 CO 0.49 0.14 0.51 0.27 -1.93 0.00 0.00 178.83 178.31 3klz h PHE 137 N 0.22 0.00 0.00 3.99 -5.15 -1.89 0.11 116.94 114.22 3klz h PHE 137 Ca 0.31 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.08 3klz h PHE 137 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.08 3klz h PHE 137 CO -0.00 0.00 0.00 0.52 -2.00 0.00 0.00 178.31 176.83 3klz h MET 138 N 0.00 0.00 -6.80 6.09 2.86 -1.58 -0.60 114.93 114.89 3klz h MET 138 Ca 0.18 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.26 3klz h MET 138 Cb 1.20 0.00 0.18 0.00 0.06 0.00 0.00 31.60 33.04 3klz h MET 138 CO -0.00 0.00 -0.11 0.39 1.06 0.00 0.00 176.91 178.25 3klz n GLU 139 N -2.65 0.47 -3.78 1.72 -0.58 0.39 -1.00 120.64 115.21 3klz n GLU 139 Ca 0.02 0.21 -0.23 0.00 -0.42 0.00 0.00 57.16 56.74 3klz n GLU 139 Cb 0.33 -2.04 0.02 0.00 -0.57 0.00 0.00 31.44 29.18 3klz n GLU 139 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3klz n ASP 140 N -0.93 -1.05 -2.37 1.62 2.03 -1.26 -1.21 116.55 113.39 3klz n ASP 140 Ca 0.12 -0.87 -0.19 0.00 0.52 0.00 0.00 54.79 54.37 3klz n ASP 140 Cb 0.49 -3.77 -0.01 0.00 -0.72 0.00 0.00 41.12 37.11 3klz n ASP 140 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3klz n GLY 141 N -1.69 -0.38 1.66 0.27 0.00 -1.21 -1.52 105.19 102.31 3klz n GLY 141 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3klz n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3klz n GLY 142 N -0.94 1.84 0.38 -0.02 0.00 -0.17 -4.24 105.19 102.05 3klz n GLY 142 Ca -0.22 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.00 3klz n GLY 142 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3klz h GLN 143 N 2.79 0.02 -0.12 1.61 1.08 -1.14 -0.84 115.11 118.52 3klz h GLN 143 Ca 0.00 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3klz h GLN 143 Cb 0.00 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3klz h GLN 143 CO 0.00 0.01 -0.02 1.25 -0.95 0.00 0.00 178.83 179.12 3klz h LEU 144 N 0.02 0.21 -0.78 1.46 6.46 -1.66 -0.59 115.31 120.43 3klz h LEU 144 Ca 0.26 -0.34 0.06 0.00 -0.12 0.00 0.00 57.88 57.74 3klz h LEU 144 Cb 1.03 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.84 3klz h LEU 144 CO -0.01 0.51 0.47 1.23 -0.62 0.00 0.00 178.44 180.02 3klz h GLY 145 N -0.08 1.17 1.01 3.75 0.00 -0.35 -0.96 103.07 107.60 3klz h GLY 145 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3klz h GLY 145 CO 0.01 0.23 0.53 1.41 0.00 0.00 0.00 176.54 178.72 3klz h LEU 146 N 0.86 0.96 -0.32 3.11 3.38 -1.00 -2.05 115.31 120.26 3klz h LEU 146 Ca 0.34 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 3klz h LEU 146 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3klz h LEU 146 CO -0.17 0.71 0.09 -1.13 0.09 0.00 0.00 178.44 178.03 3klz h ASN 147 N 1.12 0.47 -0.97 -0.43 -1.24 -0.47 -1.37 115.58 112.70 3klz h ASN 147 Ca 0.30 -0.21 0.04 0.00 0.71 0.00 0.00 56.30 57.14 3klz h ASN 147 Cb -0.10 -0.12 -0.06 0.00 0.73 0.00 0.00 38.32 38.77 3klz h ASN 147 CO -0.06 0.56 0.63 0.00 -1.29 0.00 0.00 177.43 177.28 3klz h ALA 148 N 0.93 1.39 -0.05 1.57 0.00 -0.93 -0.38 119.26 121.79 3klz h ALA 148 Ca 0.10 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 3klz h ALA 148 Cb 0.27 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.74 3klz h ALA 148 CO -0.00 0.50 -0.83 0.52 0.00 0.00 0.00 179.25 179.44 3klz h MET 149 N 1.20 0.65 -0.89 0.00 2.86 -1.15 -2.79 114.93 114.81 3klz h MET 149 Ca 0.39 -0.63 0.04 0.00 -2.06 0.00 0.00 59.70 57.44 3klz h MET 149 Cb 0.05 0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 3klz h MET 149 CO -0.13 1.24 0.58 0.00 1.06 0.00 0.00 176.91 179.66 3klz h ALA 150 N 0.43 1.45 -0.63 6.32 0.00 -0.89 0.18 119.26 126.12 3klz h ALA 150 Ca -0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3klz h ALA 150 Cb 1.49 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3klz h ALA 150 CO 0.17 0.47 0.21 0.82 0.00 0.00 0.00 179.25 180.91 3klz h ILE 151 N 1.10 1.24 -0.07 0.00 2.04 -1.04 -1.75 117.51 119.03 3klz h ILE 151 Ca 0.35 -0.82 -0.22 0.00 1.00 0.00 0.00 64.86 65.17 3klz h ILE 151 Cb 0.03 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3klz h ILE 151 CO -0.11 0.32 -0.84 0.28 0.00 0.00 0.00 178.15 177.80 3klz h SER 152 N 0.90 0.69 -0.95 1.72 0.02 -1.17 -3.16 113.55 111.60 3klz h SER 152 Ca 0.20 -0.49 0.01 0.00 -0.84 0.00 0.00 61.79 60.68 3klz h SER 152 Cb 0.27 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 3klz h SER 152 CO -0.01 1.27 0.62 1.56 -1.14 0.00 0.00 176.83 179.13 3klz h GLN 153 N 0.36 1.25 0.00 3.45 4.20 -0.50 -0.61 115.11 123.26 3klz h GLN 153 Ca -0.06 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3klz h GLN 153 Cb 1.46 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.96 3klz h GLN 153 CO 0.16 0.83 0.00 1.58 -0.67 0.00 0.00 178.83 180.72 3klz n HIS 154 N -4.42 0.29 0.97 2.96 -0.00 -0.67 -1.10 115.22 113.25 3klz n HIS 154 Ca 0.11 0.13 0.12 0.00 0.46 0.00 0.00 57.72 58.53 3klz n HIS 154 Cb 0.01 -0.71 0.17 0.00 -0.12 0.00 0.00 29.99 29.34 3klz n HIS 154 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3klz n LYS 155 N -1.78 0.02 -0.50 1.57 5.02 -0.24 -4.37 118.16 117.88 3klz n LYS 155 Ca 0.02 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.39 3klz n LYS 155 Cb 0.12 -1.51 0.29 0.00 -0.02 0.00 0.00 35.03 33.91 3klz n LYS 155 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3klz n LEU 156 N -1.54 4.23 -1.26 -0.35 4.77 -0.25 -4.44 117.00 118.16 3klz n LEU 156 Ca 0.05 -2.57 0.04 0.00 -0.03 0.00 0.00 56.01 53.50 3klz n LEU 156 Cb 0.34 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 41.00 3klz n LEU 156 CO 0.37 0.74 0.15 1.41 -1.33 0.00 0.00 177.39 178.72 3klz n HIS 157 N 0.46 0.04 -2.60 -1.77 8.25 -1.26 -4.91 115.22 113.44 3klz n HIS 157 Ca 0.22 -0.83 -0.33 0.00 -0.26 0.00 0.00 57.72 56.52 3klz n HIS 157 Cb 0.83 -0.18 -0.05 0.00 1.12 0.00 0.00 29.99 31.71 3klz n HIS 157 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3klz s HIS 158 N -1.04 3.24 0.83 4.41 3.76 -1.26 -5.07 115.29 120.16 3klz s HIS 158 Ca 0.35 1.56 -0.11 0.00 -0.15 0.00 0.00 55.06 56.72 3klz s HIS 158 Cb 0.38 -2.90 0.09 0.00 1.11 0.00 0.00 32.58 31.26 3klz s HIS 158 CO -0.14 -0.42 1.10 0.95 -0.85 0.00 0.00 174.74 175.38 3klz s THR 159 N -2.26 2.98 0.18 1.30 -4.23 -1.26 -4.82 115.64 107.53 3klz s THR 159 Ca 0.63 0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 61.31 3klz s THR 159 Cb -0.11 -2.73 0.09 0.00 1.34 0.00 0.00 72.50 71.08 3klz s THR 159 CO 0.21 -0.42 1.72 0.15 -0.54 0.00 0.00 174.62 175.74 3klz h PHE 160 N -1.36 0.12 -0.69 3.99 3.04 -1.95 -0.12 116.94 119.98 3klz h PHE 160 Ca -0.45 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.47 3klz h PHE 160 Cb 1.25 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.75 3klz h PHE 160 CO 0.53 -0.01 0.20 1.25 -2.02 0.00 0.00 178.31 178.25 3klz h LEU 161 N 0.21 1.00 -0.00 0.59 5.85 -1.98 0.75 115.31 121.72 3klz h LEU 161 Ca 0.23 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3klz h LEU 161 Cb 0.30 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3klz h LEU 161 CO -0.31 0.94 0.00 -0.61 -0.34 0.00 0.00 178.44 178.12 3klz h GLN 162 N 1.02 0.00 -0.76 1.25 4.15 -1.79 0.58 115.11 119.56 3klz h GLN 162 Ca 0.22 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 3klz h GLN 162 Cb 0.31 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 3klz h GLN 162 CO -0.01 0.21 0.45 0.00 -1.93 0.00 0.00 178.83 177.55 3klz h ALA 163 N 0.79 0.97 0.09 3.38 0.00 -0.80 0.28 119.26 123.97 3klz h ALA 163 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3klz h ALA 163 Cb 0.21 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3klz h ALA 163 CO -0.00 0.45 -0.26 0.35 0.00 0.00 0.00 179.25 179.79 3klz h PHE 164 N 1.04 -0.68 -0.40 0.00 3.04 -0.69 -0.40 116.94 118.83 3klz h PHE 164 Ca 0.27 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.18 3klz h PHE 164 Cb -0.02 0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 3klz h PHE 164 CO -0.01 -0.36 0.01 0.00 -2.02 0.00 0.00 178.31 175.94 3klz h ALA 165 N 0.31 1.26 -0.30 2.41 0.00 -0.47 0.11 119.26 122.58 3klz h ALA 165 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3klz h ALA 165 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3klz h ALA 165 CO -0.16 0.50 0.15 -0.07 0.00 0.00 0.00 179.25 179.66 3klz h LEU 166 N 0.61 0.38 -0.88 0.00 3.38 -0.81 -0.46 115.31 117.54 3klz h LEU 166 Ca 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3klz h LEU 166 Cb 0.37 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3klz h LEU 166 CO 0.01 0.39 0.52 1.23 0.09 0.00 0.00 178.44 180.68 3klz h GLY 167 N 0.35 1.28 0.97 0.83 0.00 -0.45 -0.99 103.07 105.06 3klz h GLY 167 Ca 0.10 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3klz h GLY 167 CO -0.01 0.52 -0.22 -2.00 0.00 0.00 0.00 176.54 174.82 3klz h LEU 168 N 1.21 -0.54 -1.13 3.11 5.85 -0.53 -2.57 115.31 120.71 3klz h LEU 168 Ca 0.31 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.10 3klz h LEU 168 Cb -0.04 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3klz h LEU 168 CO -0.06 -0.37 0.59 0.24 -0.34 0.00 0.00 178.44 178.51 3klz h MET 169 N -0.60 1.08 0.43 1.25 2.86 -0.89 -2.26 114.93 116.80 3klz h MET 169 Ca -0.05 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3klz h MET 169 Cb 0.47 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3klz h MET 169 CO 0.08 0.72 -0.37 0.00 1.06 0.00 0.00 176.91 178.40 3klz h ASN 171 N -0.80 0.00 -0.08 0.00 -1.24 -1.28 -1.06 115.58 111.11 3klz h ASN 171 Ca -0.04 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 3klz h ASN 171 Cb 0.70 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.74 3klz h ASN 171 CO -0.02 0.03 0.05 0.40 -1.29 0.00 0.00 177.43 176.59 3klz h ILE 172 N 0.00 1.09 -0.34 2.57 2.04 -1.17 -1.03 117.51 120.67 3klz h ILE 172 Ca -0.00 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3klz h ILE 172 Cb 0.41 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3klz h ILE 172 CO 0.00 0.08 0.12 -0.07 0.00 0.00 0.00 178.15 178.28 3klz h LEU 173 N 0.04 0.48 -0.38 1.44 -0.00 -0.91 -1.47 115.31 114.50 3klz h LEU 173 Ca 0.03 -0.18 -0.03 0.00 -0.00 0.00 0.00 57.88 57.70 3klz h LEU 173 Cb 0.08 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.60 3klz h LEU 173 CO -0.00 0.53 0.12 0.58 -0.00 0.00 0.00 178.44 179.67 3klz h VAL 174 N 0.40 1.21 -0.49 1.22 2.07 -1.22 -0.43 116.25 119.00 3klz h VAL 174 Ca 0.11 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 3klz h VAL 174 Cb 0.21 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3klz h VAL 174 CO -0.01 0.24 0.20 0.00 0.02 0.00 0.00 177.57 178.03 3klz h LEU 176 N 0.65 0.78 0.14 0.00 3.38 -1.01 -0.77 115.31 118.48 3klz h LEU 176 Ca 0.17 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3klz h LEU 176 Cb 0.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3klz h LEU 176 CO -0.02 0.45 -0.07 0.00 0.09 0.00 0.00 178.44 178.89 3klz h ALA 177 N 1.47 -0.19 -0.83 1.53 0.00 -0.39 -2.10 119.26 118.76 3klz h ALA 177 Ca 0.43 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3klz h ALA 177 Cb 0.37 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3klz h ALA 177 CO -0.24 -0.44 0.45 0.28 0.00 0.00 0.00 179.25 179.30 3klz h VAL 178 N -0.53 1.24 -0.54 0.00 2.07 -0.91 -2.55 116.25 115.04 3klz h VAL 178 Ca -0.02 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 66.91 3klz h VAL 178 Cb 0.41 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3klz h VAL 178 CO 0.03 0.27 0.34 -0.25 0.02 0.00 0.00 177.57 177.99 3klz h TRP 179 N 1.15 0.65 -0.53 1.57 2.91 -1.11 -1.92 115.95 118.67 3klz h TRP 179 Ca 0.29 0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.46 3klz h TRP 179 Cb 0.03 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.44 3klz h TRP 179 CO 0.00 0.39 0.37 0.52 -1.03 0.00 0.00 178.44 178.70 3klz h MET 180 N 0.69 0.12 0.00 2.65 2.86 -0.95 -0.54 114.93 119.76 3klz h MET 180 Ca 0.21 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3klz h MET 180 Cb -0.04 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3klz h MET 180 CO -0.07 0.08 0.00 0.25 1.06 0.00 0.00 176.91 178.23 3klz n THR 181 N -4.42 0.81 0.25 2.22 -2.24 -0.72 -2.73 114.28 107.45 3klz n THR 181 Ca 0.09 0.19 0.14 0.00 -2.27 0.00 0.00 64.05 62.21 3klz n THR 181 Cb 0.51 -1.12 0.55 0.00 -2.10 0.00 0.00 70.33 68.18 3klz n THR 181 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3klz h PHE 182 N 0.00 0.00 -0.42 4.78 0.04 -1.12 -2.35 116.94 117.87 3klz h PHE 182 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3klz h PHE 182 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 3klz h PHE 182 CO 0.00 0.07 0.00 -1.13 -0.60 0.00 0.00 178.31 176.65 3klz n SER 183 N -3.18 4.38 -4.77 2.17 3.41 -1.10 -5.00 113.62 109.51 3klz n SER 183 Ca 0.01 -2.76 -0.40 0.00 -0.26 0.00 0.00 58.87 55.46 3klz n SER 183 Cb 0.37 -0.54 0.01 0.00 -0.26 0.00 0.00 64.21 63.79 3klz n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3klz s ALA 184 N -2.39 3.39 -0.83 7.33 0.00 -0.89 -4.93 121.76 123.45 3klz s ALA 184 Ca 0.44 1.49 0.18 0.00 0.00 0.00 0.00 51.96 54.08 3klz s ALA 184 Cb 0.33 -3.59 -0.20 0.00 0.00 0.00 0.00 23.12 19.66 3klz s ALA 184 CO 0.14 -1.10 0.76 0.54 0.00 0.00 0.00 175.76 176.10 3klz n ARG 185 N 0.12 0.95 -3.88 0.00 5.12 -1.26 -5.03 116.66 112.67 3klz n ARG 185 Ca 0.03 -0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.86 3klz n ARG 185 Cb 0.41 -1.37 -0.01 0.00 -1.16 0.00 0.00 32.46 30.33 3klz n ARG 185 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3klz s SER 186 N -2.79 0.00 0.12 0.55 1.04 -1.26 -5.02 113.70 106.35 3klz s SER 186 Ca 0.06 -0.98 -0.19 0.00 0.48 0.00 0.00 55.95 55.32 3klz s SER 186 Cb 0.14 0.76 -0.06 0.00 0.10 0.00 0.00 66.02 66.95 3klz s SER 186 CO 0.75 -1.47 1.78 -0.07 0.98 0.00 0.00 173.24 175.21 3klz h LEU 187 N 2.04 0.23 -0.57 2.42 3.38 -2.00 -2.83 115.31 117.98 3klz h LEU 187 Ca -0.27 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.81 3klz h LEU 187 Cb 1.25 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.86 3klz h LEU 187 CO 0.34 0.17 0.11 0.74 0.09 0.00 0.00 178.44 179.88 3klz h THR 188 N 0.27 0.65 -0.69 0.22 2.02 -1.99 -1.26 112.91 112.13 3klz h THR 188 Ca 0.08 -0.08 0.13 0.00 0.77 0.00 0.00 66.41 67.31 3klz h THR 188 Cb -0.03 0.39 -0.09 0.00 -1.74 0.00 0.00 68.15 66.68 3klz h THR 188 CO -0.02 0.04 0.21 0.44 0.37 0.00 0.00 175.52 176.57 3klz h ASP 189 N 0.24 0.13 -0.16 4.18 5.19 -1.90 0.23 116.42 124.32 3klz h ASP 189 Ca 0.30 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.80 3klz h ASP 189 Cb 0.43 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 3klz h ASP 189 CO -0.39 0.04 0.01 0.11 -3.12 0.00 0.00 179.24 175.89 3klz h LYS 190 N 0.34 0.28 -0.22 3.56 1.57 -1.04 -2.28 116.57 118.77 3klz h LYS 190 Ca 0.38 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 59.11 3klz h LYS 190 Cb 0.58 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 3klz h LYS 190 CO -0.42 0.48 -0.01 0.28 -0.57 0.00 0.00 179.45 179.22 3klz h VAL 191 N 0.03 0.84 -0.71 0.50 2.07 -0.54 -2.43 116.25 116.02 3klz h VAL 191 Ca 0.05 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.56 3klz h VAL 191 Cb 0.35 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3klz h VAL 191 CO 0.01 0.01 0.47 0.24 0.02 0.00 0.00 177.57 178.32 3klz h MET 192 N 0.06 0.90 0.00 1.57 2.86 -0.44 -2.51 114.93 117.38 3klz h MET 192 Ca 0.10 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3klz h MET 192 Cb 0.13 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.59 3klz h MET 192 CO -0.18 0.60 -0.53 1.33 1.06 0.00 0.00 176.91 179.18 3klz n VAL 193 N -4.44 0.33 0.09 -2.22 0.24 -0.87 -3.91 118.33 107.55 3klz n VAL 193 Ca 0.08 -0.24 -0.01 0.00 -2.04 0.00 0.00 64.34 62.13 3klz n VAL 193 Cb 0.06 -0.14 -0.04 0.00 -1.47 0.00 0.00 33.84 32.25 3klz n VAL 193 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3klz h LEU 194 N 0.00 0.00 0.38 1.34 3.38 -0.98 -3.41 115.31 116.02 3klz h LEU 194 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3klz h LEU 194 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3klz h LEU 194 CO 0.00 0.66 -0.18 0.40 0.09 0.00 0.00 178.44 179.40 3klz h ILE 195 N 0.00 0.59 -0.45 1.22 2.04 -1.65 -3.02 117.51 116.24 3klz h ILE 195 Ca -0.05 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 3klz h ILE 195 Cb 1.55 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 3klz h ILE 195 CO 0.08 0.08 0.09 -0.07 0.00 0.00 0.00 178.15 178.33 3klz h LEU 196 N -0.79 0.69 -0.62 1.44 3.38 -1.80 -1.10 115.31 116.51 3klz h LEU 196 Ca -0.05 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.71 3klz h LEU 196 Cb 0.53 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3klz h LEU 196 CO 0.09 0.76 0.37 -0.65 0.09 0.00 0.00 178.44 179.10 3klz h PRO 197 N 0.59 0.68 -0.15 1.13 0.11 -1.79 0.17 132.00 132.74 3klz h PRO 197 Ca 0.14 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 3klz h PRO 197 Cb 0.36 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3klz h PRO 197 CO 0.01 0.45 -0.01 0.28 -0.21 0.00 0.00 178.00 178.52 3klz h VAL 198 N 0.70 1.26 -0.98 3.15 2.07 -1.41 -1.70 116.25 119.34 3klz h VAL 198 Ca 0.26 -0.87 0.11 0.00 0.82 0.00 0.00 66.70 67.03 3klz h VAL 198 Cb 0.09 1.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 3klz h VAL 198 CO -0.13 0.26 0.62 0.00 0.02 0.00 0.00 177.57 178.34 3klz h ALA 199 N 0.75 1.55 0.44 1.67 0.00 -0.88 -0.31 119.26 122.49 3klz h ALA 199 Ca 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3klz h ALA 199 Cb 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3klz h ALA 199 CO 0.01 0.22 -0.21 1.98 0.00 0.00 0.00 179.25 181.25 3klz h MET 200 N 0.98 -0.57 -0.60 0.00 -1.53 -0.52 -0.92 114.93 111.76 3klz h MET 200 Ca 0.48 0.04 -0.07 0.00 -3.44 0.00 0.00 59.70 56.71 3klz h MET 200 Cb 0.46 0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.62 3klz h MET 200 CO -0.24 -0.28 0.11 0.27 0.14 0.00 0.00 176.91 176.91 3klz h PHE 201 N -0.83 1.00 -0.08 1.39 -5.15 -0.92 -1.65 116.94 110.70 3klz h PHE 201 Ca -0.06 -0.12 -0.02 0.00 -0.20 0.00 0.00 57.97 57.57 3klz h PHE 201 Cb 0.56 -0.28 -0.00 0.00 0.22 0.00 0.00 35.95 36.44 3klz h PHE 201 CO 0.00 0.84 -0.02 0.28 -2.00 0.00 0.00 178.31 177.41 3klz h VAL 202 N 0.90 1.29 0.00 0.88 2.07 -1.12 -0.94 116.25 119.34 3klz h VAL 202 Ca 0.19 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3klz h VAL 202 Cb 0.37 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3klz h VAL 202 CO 0.01 0.26 -0.03 0.77 0.02 0.00 0.00 177.57 178.59 3klz h SER 203 N -0.18 0.00 0.54 0.57 4.64 -1.02 -0.09 113.55 118.01 3klz h SER 203 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3klz h SER 203 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3klz h SER 203 CO 0.01 0.03 -0.33 -1.20 -0.87 0.00 0.00 176.83 174.47 3klz n SER 204 N -3.30 0.48 -0.89 4.97 7.64 -0.63 -4.87 113.62 117.02 3klz n SER 204 Ca -0.02 -0.23 -0.11 0.00 1.01 0.00 0.00 58.87 59.52 3klz n SER 204 Cb 0.18 0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 3klz n SER 204 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3klz n GLY 205 N 1.45 1.02 3.75 0.23 0.00 -0.05 -5.01 105.19 106.59 3klz n GLY 205 Ca 0.08 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 3klz n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3klz s PHE 206 N -2.42 2.39 -0.20 1.61 0.08 -0.39 -4.97 117.98 114.08 3klz s PHE 206 Ca 0.00 1.46 -0.06 0.00 0.12 0.00 0.00 56.93 58.45 3klz s PHE 206 Cb 0.00 -3.62 -0.03 0.00 -0.57 0.00 0.00 43.02 38.80 3klz s PHE 206 CO 0.00 -2.47 0.03 -1.21 -0.10 0.00 0.00 175.22 171.48 3klz s GLU 207 N -3.07 3.75 -0.22 0.44 0.41 -1.12 -4.72 118.70 114.19 3klz s GLU 207 Ca 0.74 -0.45 -0.04 0.00 -0.41 0.00 0.00 54.97 54.80 3klz s GLU 207 Cb -0.35 -3.16 -0.01 0.00 -1.78 0.00 0.00 34.13 28.83 3klz s GLU 207 CO 0.40 0.09 -0.03 -1.58 -0.49 0.00 0.00 175.26 173.65 3klz s HIS 208 N 0.83 2.97 0.29 1.61 5.65 -1.26 -4.12 115.29 121.25 3klz s HIS 208 Ca 0.02 -0.83 -0.01 0.00 0.25 0.00 0.00 55.06 54.50 3klz s HIS 208 Cb -0.14 -2.10 0.42 0.00 -1.18 0.00 0.00 32.58 29.58 3klz s HIS 208 CO 0.02 -0.48 1.83 0.00 -0.65 0.00 0.00 174.74 175.46 3klz h ILE 210 N 0.76 1.37 -0.98 0.00 1.08 -1.98 -2.28 117.51 115.48 3klz h ILE 210 Ca 0.17 -1.35 0.12 0.00 -0.39 0.00 0.00 64.86 63.41 3klz h ILE 210 Cb 0.30 2.00 -0.09 0.00 -3.07 0.00 0.00 36.82 35.96 3klz h ILE 210 CO 0.00 0.39 0.61 0.00 -0.69 0.00 0.00 178.15 178.46 3klz h ALA 211 N 0.56 1.48 -0.02 1.87 0.00 -1.83 -0.92 119.26 120.40 3klz h ALA 211 Ca 0.01 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3klz h ALA 211 Cb 0.69 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3klz h ALA 211 CO 0.03 0.19 -0.25 -0.91 0.00 0.00 0.00 179.25 178.31 3klz h ASN 212 N 0.95 0.04 0.11 0.00 2.35 -0.98 -0.88 115.58 117.16 3klz h ASN 212 Ca 0.49 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.21 3klz h ASN 212 Cb 0.51 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 3klz h ASN 212 CO -0.27 0.29 -0.09 0.24 -1.65 0.00 0.00 177.43 175.95 3klz h MET 213 N 0.03 0.00 0.00 0.81 2.86 -0.57 -1.90 114.93 116.16 3klz h MET 213 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3klz h MET 213 Cb 0.47 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 3klz h MET 213 CO 0.03 0.09 -0.18 0.35 1.06 0.00 0.00 176.91 178.26 3klz h PHE 214 N 0.00 0.00 -0.52 -0.22 3.57 -1.33 -3.39 116.94 115.05 3klz h PHE 214 Ca -0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 3klz h PHE 214 Cb 0.16 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3klz h PHE 214 CO 0.00 0.40 0.14 0.37 -2.23 0.00 0.00 178.31 176.99 3klz h GLN 215 N -1.00 0.81 0.02 1.11 5.75 -0.97 -0.06 115.11 120.77 3klz h GLN 215 Ca -0.03 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3klz h GLN 215 Cb 0.45 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.89 3klz h GLN 215 CO -0.02 0.77 -0.01 0.28 -2.65 0.00 0.00 178.83 177.20 3klz h VAL 216 N 0.71 1.41 -0.32 2.39 2.07 -1.61 -2.15 116.25 118.75 3klz h VAL 216 Ca 0.16 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3klz h VAL 216 Cb 0.30 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3klz h VAL 216 CO -0.00 0.34 0.19 -0.65 0.02 0.00 0.00 177.57 177.47 3klz h PRO 217 N -0.61 0.42 -0.42 1.57 0.11 -1.72 -0.24 132.00 131.11 3klz h PRO 217 Ca -0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3klz h PRO 217 Cb 0.58 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 3klz h PRO 217 CO 0.00 0.30 0.24 1.98 -0.21 0.00 0.00 178.00 180.32 3klz h MET 218 N 0.43 0.58 -0.56 1.05 4.05 -0.96 0.19 114.93 119.71 3klz h MET 218 Ca 0.11 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.39 3klz h MET 218 Cb -0.01 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.65 3klz h MET 218 CO -0.02 0.44 0.01 0.00 0.23 0.00 0.00 176.91 177.57 3klz h ALA 219 N 1.10 0.96 -0.51 0.39 0.00 -0.65 0.32 119.26 120.87 3klz h ALA 219 Ca 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3klz h ALA 219 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3klz h ALA 219 CO -0.03 0.63 0.23 0.82 0.00 0.00 0.00 179.25 180.91 3klz h ILE 220 N 0.89 1.20 -0.82 0.00 2.04 -0.74 -2.60 117.51 117.48 3klz h ILE 220 Ca 0.17 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 3klz h ILE 220 Cb 0.50 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 3klz h ILE 220 CO 0.02 0.23 0.39 1.23 0.00 0.00 0.00 178.15 180.02 3klz h GLY 221 N 0.69 1.27 0.88 5.37 0.00 0.08 -2.93 103.07 108.43 3klz h GLY 221 Ca 0.17 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 46.88 3klz h GLY 221 CO -0.02 0.60 -0.06 -2.22 0.00 0.00 0.00 176.54 174.84 3klz h ILE 222 N 1.17 0.86 -0.83 2.60 2.04 -0.75 -0.40 117.51 122.20 3klz h ILE 222 Ca 0.28 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.34 3klz h ILE 222 Cb 0.13 0.86 -0.15 0.00 -0.74 0.00 0.00 36.82 36.92 3klz h ILE 222 CO -0.03 0.00 0.01 0.50 0.00 0.00 0.00 178.15 178.63 3klz h LYS 223 N -0.11 0.08 0.00 2.37 3.64 -1.30 0.11 116.57 121.37 3klz h LYS 223 Ca 0.02 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.18 3klz h LYS 223 Cb 0.13 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3klz h LYS 223 CO -0.04 0.06 -1.19 1.88 -2.27 0.00 0.00 179.45 177.88 3klz h TYR 224 N 0.09 0.00 0.00 1.91 0.05 -1.32 -3.35 116.97 114.35 3klz h TYR 224 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.24 3klz h TYR 224 Cb 0.86 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.60 3klz h TYR 224 CO -0.45 0.85 -1.13 1.19 -1.05 0.00 0.00 178.16 177.57 3klz n PHE 225 N -3.16 0.02 -1.69 4.88 3.72 -0.19 -4.93 117.46 116.11 3klz n PHE 225 Ca -0.06 0.01 -0.44 0.00 -0.05 0.00 0.00 57.45 56.90 3klz n PHE 225 Cb 0.92 -0.14 -0.04 0.00 -0.94 0.00 0.00 39.48 39.29 3klz n PHE 225 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3klz n ALA 226 N -1.65 1.91 -1.46 4.37 0.00 0.33 -4.99 120.51 119.02 3klz n ALA 226 Ca 0.03 0.39 -0.30 0.00 0.00 0.00 0.00 53.44 53.56 3klz n ALA 226 Cb 0.38 -2.47 0.11 0.00 0.00 0.00 0.00 19.45 17.47 3klz n ALA 226 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3klz s PRO 227 N 1.73 1.66 0.37 0.00 0.04 -1.26 -4.92 135.00 132.62 3klz s PRO 227 Ca 0.80 0.61 0.11 0.00 0.04 0.00 0.00 61.00 62.56 3klz s PRO 227 Cb -0.59 -1.87 0.88 0.00 0.04 0.00 0.00 34.50 32.96 3klz s PRO 227 CO 0.38 -1.91 1.87 1.49 0.04 0.00 0.00 177.00 178.87 3klz h GLU 228 N -1.30 0.60 -0.05 4.56 4.57 -2.01 -1.11 114.58 119.85 3klz h GLU 228 Ca -0.48 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 57.67 3klz h GLU 228 Cb 1.29 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3klz h GLU 228 CO 0.59 0.40 0.04 0.66 -1.18 0.00 0.00 179.01 179.51 3klz h SER 229 N 0.62 0.00 -0.11 1.04 4.64 -1.98 -0.03 113.55 117.73 3klz h SER 229 Ca 0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.76 3klz h SER 229 Cb 0.82 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3klz h SER 229 CO -0.20 0.00 0.02 0.15 -0.87 0.00 0.00 176.83 175.93 3klz h PHE 230 N 0.00 0.19 -0.65 4.77 3.57 -1.55 -0.20 116.94 123.07 3klz h PHE 230 Ca 0.02 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 3klz h PHE 230 Cb 0.09 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3klz h PHE 230 CO 0.00 0.37 0.17 -1.49 -2.23 0.00 0.00 178.31 175.13 3klz h TRP 231 N -0.04 1.09 -0.27 0.41 4.06 -1.41 -1.98 115.95 117.80 3klz h TRP 231 Ca 0.03 -0.12 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 3klz h TRP 231 Cb 0.28 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 3klz h TRP 231 CO 0.01 0.90 0.14 0.00 -3.56 0.00 0.00 178.44 175.93 3klz h ALA 232 N 1.07 0.35 0.00 1.49 0.00 -0.93 -0.15 119.26 121.09 3klz h ALA 232 Ca 0.21 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3klz h ALA 232 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3klz h ALA 232 CO 0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 179.25 178.94 3klz h MET 233 N 0.32 0.00 0.00 0.00 -0.00 -1.02 -3.17 114.93 111.06 3klz h MET 233 Ca 0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.70 3klz h MET 233 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.67 3klz h MET 233 CO -0.01 0.21 -0.81 1.79 -0.00 0.00 0.00 176.91 178.08 3klz h THR 234 N 0.00 0.49 0.00 -0.10 1.35 -1.28 -3.48 112.91 109.89 3klz h THR 234 Ca -0.00 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 3klz h THR 234 Cb 1.11 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 3klz h THR 234 CO 0.03 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 3klz n GLY 235 N 1.26 1.74 3.94 5.82 0.00 -0.08 -5.03 105.19 112.84 3klz n GLY 235 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 3klz n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3klz s ALA 236 N -3.51 2.88 0.05 4.61 0.00 -1.17 -5.01 121.76 119.61 3klz s ALA 236 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.69 3klz s ALA 236 Cb 0.00 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.55 3klz s ALA 236 CO 0.00 -1.78 0.25 0.54 0.00 0.00 0.00 175.76 174.78 3klz s ASN 237 N -4.70 -0.04 0.42 0.00 2.20 -1.26 -4.60 114.94 106.96 3klz s ASN 237 Ca 0.66 -0.30 0.28 0.00 -0.94 0.00 0.00 52.86 52.57 3klz s ASN 237 Cb -0.07 0.33 1.52 0.00 -2.00 0.00 0.00 41.25 41.03 3klz s ASN 237 CO 0.48 -0.60 1.87 -0.29 -2.94 0.00 0.00 177.10 175.62 3klz h ILE 238 N 3.27 0.00 0.00 0.54 2.10 -1.99 -1.03 117.51 120.41 3klz h ILE 238 Ca -0.32 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.60 3klz h ILE 238 Cb 1.20 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 3klz h ILE 238 CO 0.48 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.55 3klz n ALA 239 N -1.87 2.00 1.40 0.18 0.00 -1.26 -2.75 120.51 118.22 3klz n ALA 239 Ca -0.02 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.47 3klz n ALA 239 Cb 0.06 -1.33 0.46 0.00 0.00 0.00 0.00 19.45 18.64 3klz n ALA 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3klz n GLN 240 N -1.37 1.76 -0.49 0.00 6.02 -0.39 -4.02 117.38 118.89 3klz n GLN 240 Ca 0.08 -1.11 0.06 0.00 -0.01 0.00 0.00 57.00 56.02 3klz n GLN 240 Cb 0.19 -1.47 0.12 0.00 1.02 0.00 0.00 30.24 30.10 3klz n GLN 240 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3klz n TYR 241 N 0.34 0.00 0.15 1.08 4.01 -1.11 -4.78 117.16 116.86 3klz n TYR 241 Ca 0.18 -0.93 0.18 0.00 -0.16 0.00 0.00 57.90 57.17 3klz n TYR 241 Cb 0.39 -0.17 0.78 0.00 -0.31 0.00 0.00 39.34 40.03 3klz n TYR 241 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3klz h ALA 242 N 0.44 1.99 0.00 -0.72 0.00 -1.72 -0.42 119.26 118.83 3klz h ALA 242 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3klz h ALA 242 Cb 1.18 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3klz h ALA 242 CO 0.01 -0.40 -0.08 0.38 0.00 0.00 0.00 179.25 179.16 3klz h ASP 243 N 0.00 0.00 -1.69 0.00 2.03 -1.93 -3.41 116.42 111.42 3klz h ASP 243 Ca 0.13 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.88 3klz h ASP 243 Cb 0.65 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.07 3klz h ASP 243 CO -0.00 0.08 1.25 -0.22 -1.03 0.00 0.00 179.24 179.32 3klz s LEU 244 N -6.35 3.32 0.35 0.15 2.96 -0.17 -4.80 118.68 114.14 3klz s LEU 244 Ca 0.02 -0.85 -0.12 0.00 -0.22 0.00 0.00 54.13 52.97 3klz s LEU 244 Cb 0.08 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 44.24 3klz s LEU 244 CO 0.60 -1.79 0.65 0.54 -1.32 0.00 0.00 176.35 175.04 3klz s ASN 245 N 4.81 0.27 0.10 3.68 2.20 -1.26 -4.89 114.94 119.85 3klz s ASN 245 Ca 0.44 -1.19 -0.12 0.00 -0.94 0.00 0.00 52.86 51.05 3klz s ASN 245 Cb -0.05 0.76 -0.17 0.00 -2.00 0.00 0.00 41.25 39.79 3klz s ASN 245 CO 0.04 -1.48 1.26 -0.26 -2.94 0.00 0.00 177.10 173.72 3klz h PHE 246 N 2.06 1.01 0.01 1.54 0.04 -1.98 -2.51 116.94 117.11 3klz h PHE 246 Ca -0.29 -0.50 -0.00 0.00 2.80 0.00 0.00 57.97 59.98 3klz h PHE 246 Cb 1.25 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.26 3klz h PHE 246 CO 1.24 1.33 -0.00 -0.39 -0.60 0.00 0.00 178.31 179.88 3klz h VAL 247 N 0.45 1.01 -0.99 -0.55 -1.51 -1.98 -1.08 116.25 111.59 3klz h VAL 247 Ca -0.09 -0.06 0.08 0.00 -1.23 0.00 0.00 66.70 65.40 3klz h VAL 247 Cb 1.54 1.06 -0.07 0.00 -2.13 0.00 0.00 31.29 31.68 3klz h VAL 247 CO 0.18 0.02 0.63 0.78 -1.23 0.00 0.00 177.57 177.95 3klz h ASN 248 N -0.04 0.99 0.29 4.19 2.35 -1.87 0.25 115.58 121.74 3klz h ASN 248 Ca -0.00 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3klz h ASN 248 Cb 0.03 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.22 3klz h ASN 248 CO 0.00 0.60 -0.14 0.15 -1.65 0.00 0.00 177.43 176.40 3klz h PHE 249 N 1.11 -0.36 -0.19 1.19 3.57 -1.12 0.12 116.94 121.26 3klz h PHE 249 Ca 0.45 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.90 3klz h PHE 249 Cb 0.26 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3klz h PHE 249 CO -0.01 -0.12 -0.02 0.82 -2.23 0.00 0.00 178.31 176.76 3klz h ILE 250 N -0.54 1.27 0.11 1.41 2.04 -0.88 0.29 117.51 121.21 3klz h ILE 250 Ca -0.04 -0.92 -0.18 0.00 1.00 0.00 0.00 64.86 64.72 3klz h ILE 250 Cb 0.40 1.49 0.01 0.00 -0.74 0.00 0.00 36.82 37.98 3klz h ILE 250 CO 0.06 0.28 -0.84 0.58 0.00 0.00 0.00 178.15 178.24 3klz h VAL 251 N 0.10 1.43 0.00 1.67 2.07 -0.56 -1.78 116.25 119.18 3klz h VAL 251 Ca 0.05 -2.47 -0.16 0.00 0.82 0.00 0.00 66.70 64.94 3klz h VAL 251 Cb 0.43 3.09 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 3klz h VAL 251 CO 0.01 0.68 -0.76 0.78 0.02 0.00 0.00 177.57 178.31 3klz h ASN 252 N -0.47 0.00 0.00 0.57 2.35 -0.88 -3.42 115.58 113.73 3klz h ASN 252 Ca -0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 3klz h ASN 252 Cb 1.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.93 3klz h ASN 252 CO 0.10 0.76 0.00 -3.20 -1.65 0.00 0.00 177.43 173.44 3klz n ASN 253 N -3.52 0.23 -0.13 5.81 5.15 -0.62 -4.70 115.26 117.48 3klz n ASN 253 Ca -0.00 0.04 -0.05 0.00 -0.60 0.00 0.00 54.58 53.97 3klz n ASN 253 Cb 0.76 -0.06 0.02 0.00 -0.53 0.00 0.00 39.78 39.97 3klz n ASN 253 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3klz h LEU 254 N 0.00 -0.64 0.72 1.20 6.46 -0.47 0.10 115.31 122.68 3klz h LEU 254 Ca 0.00 0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 3klz h LEU 254 Cb 0.00 0.36 0.01 0.00 -0.73 0.00 0.00 40.66 40.30 3klz h LEU 254 CO 0.00 -0.22 -0.34 0.40 -0.62 0.00 0.00 178.44 177.66 3klz h ILE 255 N -0.10 0.00 -0.53 4.05 2.04 -1.57 -0.11 117.51 121.30 3klz h ILE 255 Ca 0.21 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.05 3klz h ILE 255 Cb 0.42 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 3klz h ILE 255 CO -0.50 0.00 0.24 1.55 0.00 0.00 0.00 178.15 179.45 3klz h PRO 256 N -0.97 0.75 -0.24 2.37 0.13 -1.76 -1.87 132.00 130.41 3klz h PRO 256 Ca -0.10 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 64.92 3klz h PRO 256 Cb 0.74 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 3klz h PRO 256 CO 0.16 0.59 0.07 0.28 -0.23 0.00 0.00 178.00 178.87 3klz h VAL 257 N 0.75 1.20 -0.44 1.56 2.07 -0.79 -0.70 116.25 119.89 3klz h VAL 257 Ca 0.19 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.12 3klz h VAL 257 Cb 0.10 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3klz h VAL 257 CO -0.02 0.20 0.18 0.74 0.02 0.00 0.00 177.57 178.69 3klz h THR 258 N 0.22 0.90 -0.11 2.57 2.02 -0.57 0.44 112.91 118.39 3klz h THR 258 Ca 0.08 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.15 3klz h THR 258 Cb 0.25 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3klz h THR 258 CO -0.00 0.07 -0.02 -0.07 0.37 0.00 0.00 175.52 175.87 3klz h LEU 259 N 0.37 -0.08 -0.77 2.58 3.38 -1.22 0.84 115.31 120.41 3klz h LEU 259 Ca 0.20 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.30 3klz h LEU 259 Cb 0.16 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 3klz h LEU 259 CO -0.18 -0.03 0.41 1.23 0.09 0.00 0.00 178.44 179.96 3klz h GLY 260 N 0.01 1.18 1.01 0.83 0.00 -0.64 0.22 103.07 105.68 3klz h GLY 260 Ca 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3klz h GLY 260 CO -0.10 0.07 0.46 3.43 0.00 0.00 0.00 176.54 180.40 3klz h ASN 261 N 0.67 0.87 0.03 0.19 2.35 0.57 -0.66 115.58 119.62 3klz h ASN 261 Ca 0.38 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 56.08 3klz h ASN 261 Cb 0.40 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3klz h ASN 261 CO -0.27 0.66 -0.02 0.40 -1.65 0.00 0.00 177.43 176.56 3klz h ILE 262 N 1.00 1.19 -0.66 2.81 2.04 0.06 -1.55 117.51 122.40 3klz h ILE 262 Ca 0.27 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3klz h ILE 262 Cb -0.06 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3klz h ILE 262 CO -0.05 0.18 0.35 0.58 0.00 0.00 0.00 178.15 179.20 3klz h VAL 263 N -0.35 1.20 -0.58 1.67 2.07 -0.54 0.19 116.25 119.90 3klz h VAL 263 Ca -0.00 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3klz h VAL 263 Cb 0.33 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3klz h VAL 263 CO 0.01 0.23 0.36 1.23 0.02 0.00 0.00 177.57 179.42 3klz h GLY 264 N 0.99 0.84 1.77 2.17 0.00 -0.97 0.21 103.07 108.08 3klz h GLY 264 Ca 0.23 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 3klz h GLY 264 CO -0.04 0.33 -0.54 -1.33 0.00 0.00 0.00 176.54 174.97 3klz h GLY 265 N 0.79 0.26 1.05 4.60 0.00 -0.73 -2.55 103.07 106.49 3klz h GLY 265 Ca 0.21 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 3klz h GLY 265 CO -0.04 0.27 0.10 -1.33 0.00 0.00 0.00 176.54 175.54 3klz h GLY 266 N 1.39 1.11 0.91 4.60 0.00 -0.09 -1.89 103.07 109.09 3klz h GLY 266 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 3klz h GLY 266 CO 0.08 0.69 0.09 -2.08 0.00 0.00 0.00 176.54 175.32 3klz h VAL 267 N 0.94 1.14 -0.70 4.60 2.07 -0.50 -0.02 116.25 123.78 3klz h VAL 267 Ca 0.19 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3klz h VAL 267 Cb 0.43 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3klz h VAL 267 CO 0.01 0.13 0.45 0.15 0.02 0.00 0.00 177.57 178.34 3klz h PHE 268 N 0.17 0.84 -0.23 1.57 3.04 -1.38 0.37 116.94 121.32 3klz h PHE 268 Ca 0.06 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.86 3klz h PHE 268 Cb 0.13 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 38.36 3klz h PHE 268 CO -0.02 0.50 -0.56 0.28 -2.02 0.00 0.00 178.31 176.49 3klz h VAL 269 N 0.89 1.30 -0.48 1.41 2.07 -1.18 -0.91 116.25 119.35 3klz h VAL 269 Ca 0.27 -1.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 3klz h VAL 269 Cb -0.03 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3klz h VAL 269 CO -0.09 0.57 0.29 1.23 0.02 0.00 0.00 177.57 179.59 3klz h GLY 270 N 0.89 0.69 0.66 2.17 0.00 -0.66 0.11 103.07 106.93 3klz h GLY 270 Ca 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3klz h GLY 270 CO 0.11 0.27 -0.19 1.98 0.00 0.00 0.00 176.54 178.71 3klz h MET 271 N 0.66 -0.52 -0.57 4.80 -1.53 -0.45 -2.37 114.93 114.95 3klz h MET 271 Ca 0.17 0.04 0.03 0.00 -3.44 0.00 0.00 59.70 56.50 3klz h MET 271 Cb -0.02 0.12 -0.04 0.00 -0.55 0.00 0.00 31.60 31.11 3klz h MET 271 CO -0.03 -0.20 0.33 2.35 0.14 0.00 0.00 176.91 179.50 3klz h TRP 272 N -0.88 0.62 -0.08 1.39 -0.00 -0.90 -1.03 115.95 115.07 3klz h TRP 272 Ca -0.05 0.02 0.04 0.00 -0.00 0.00 0.00 58.89 58.89 3klz h TRP 272 Cb 0.55 -0.20 -0.04 0.00 -0.00 0.00 0.00 29.16 29.47 3klz h TRP 272 CO 0.02 0.34 -0.18 -0.92 -0.00 0.00 0.00 178.44 177.70 3klz h TYR 273 N 0.65 -0.46 0.00 2.65 3.20 -0.82 -1.02 116.97 121.17 3klz h TYR 273 Ca 0.24 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 3klz h TYR 273 Cb 0.06 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3klz h TYR 273 CO -0.07 -0.25 -0.08 -1.49 -1.64 0.00 0.00 178.16 174.63 3klz h TRP 274 N -0.24 0.00 0.04 -3.82 -0.00 -0.99 -1.80 115.95 109.13 3klz h TRP 274 Ca 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 58.89 3klz h TRP 274 Cb 0.36 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.53 3klz h TRP 274 CO -0.27 0.08 -0.36 1.25 -0.00 0.00 0.00 178.44 179.15 3klz h LEU 275 N 0.00 0.25 -0.86 -4.49 7.12 -0.22 -2.92 115.31 114.19 3klz h LEU 275 Ca -0.00 -0.89 -0.02 0.00 0.13 0.00 0.00 57.88 57.10 3klz h LEU 275 Cb 0.27 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.28 3klz h LEU 275 CO 0.01 1.11 0.46 0.16 -0.13 0.00 0.00 178.44 180.05 3klz h ILE 276 N -0.58 1.25 0.00 4.05 -0.00 -1.09 -2.20 117.51 118.94 3klz h ILE 276 Ca -0.06 -0.64 0.00 0.00 -0.00 0.00 0.00 64.86 64.16 3klz h ILE 276 Cb 1.20 0.11 0.00 0.00 -0.00 0.00 0.00 36.82 38.13 3klz h ILE 276 CO 0.07 0.29 0.00 0.00 -0.00 0.00 0.00 178.15 178.51 3klz n TYR 277 N -4.36 0.66 0.78 0.16 4.19 -0.69 -5.13 117.16 112.77 3klz n TYR 277 Ca 0.09 0.30 0.09 0.00 3.31 0.00 0.00 57.90 61.69 3klz n TYR 277 Cb 0.10 -0.97 0.08 0.00 0.49 0.00 0.00 39.34 39.04 3klz n TYR 277 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66