#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk2 n ASN 2 N 0.00 -6.16 0.27 2.98 4.13 -1.26 -4.65 115.26 110.57 2kk2 n ASN 2 Ca 0.00 0.82 0.18 0.00 1.68 0.00 0.00 54.58 57.26 2kk2 n ASN 2 Cb 0.00 -3.37 0.89 0.00 -1.54 0.00 0.00 39.78 35.76 2kk2 n ASN 2 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2kk2 h PRO 3 N 2.53 0.00 0.00 3.52 0.13 -1.92 -1.47 132.00 134.79 2kk2 h PRO 3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kk2 h PRO 3 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kk2 h PRO 3 CO 0.00 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.16 2kk2 n GLU 4 N -3.30 0.04 0.16 0.86 1.02 -1.26 -0.98 120.64 117.18 2kk2 n GLU 4 Ca 0.00 0.31 0.02 0.00 -0.02 0.00 0.00 57.16 57.47 2kk2 n GLU 4 Cb 0.33 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.52 2kk2 n GLU 4 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2kk2 h ASP 5 N 0.00 0.00 0.00 1.62 3.58 -1.53 -3.27 116.42 116.83 2kk2 h ASP 5 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kk2 h ASP 5 Cb 0.07 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2kk2 h ASP 5 CO 0.00 0.49 -0.15 0.47 -2.88 0.00 0.00 179.24 177.17 2kk2 n ASP 6 N -3.74 2.09 -4.74 2.28 8.00 -0.16 -5.02 116.55 115.27 2kk2 n ASP 6 Ca -0.01 -3.22 -0.42 0.00 0.71 0.00 0.00 54.79 51.86 2kk2 n ASP 6 Cb 0.54 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 2kk2 n ASP 6 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2kk2 s TYR 7 N -2.80 3.06 -0.64 1.24 5.04 -0.83 -2.18 117.35 120.23 2kk2 s TYR 7 Ca 0.32 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 55.89 2kk2 s TYR 7 Cb 0.29 -3.82 0.16 0.00 0.35 0.00 0.00 41.96 38.94 2kk2 s TYR 7 CO 0.00 -2.79 0.44 0.95 -1.34 0.00 0.00 175.55 172.82 2kk2 s THR 8 N 0.38 3.36 0.51 4.34 -4.23 -0.34 -4.94 115.64 114.72 2kk2 s THR 8 Ca 0.62 -3.39 0.34 0.00 -1.18 0.00 0.00 61.69 58.09 2kk2 s THR 8 Cb -0.42 -3.21 0.37 0.00 1.34 0.00 0.00 72.50 70.59 2kk2 s THR 8 CO 0.39 -0.90 2.21 1.55 -0.54 0.00 0.00 174.62 177.33 2kk2 h PRO 9 N 6.50 0.00 -0.90 3.99 0.13 -1.88 -0.56 132.00 139.28 2kk2 h PRO 9 Ca 0.01 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.35 2kk2 h PRO 9 Cb 0.89 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.90 2kk2 h PRO 9 CO 0.72 0.04 0.42 -0.07 -0.23 0.00 0.00 178.00 178.89 2kk2 h LEU 10 N 0.00 0.41 -0.36 1.56 4.07 -1.94 -3.18 115.31 115.86 2kk2 h LEU 10 Ca -0.00 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.10 2kk2 h LEU 10 Cb 0.16 0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2kk2 h LEU 10 CO 0.00 0.06 0.00 0.35 -1.08 0.00 0.00 178.44 177.77 2kk2 n THR 11 N -4.99 0.00 -3.28 0.22 -2.24 -0.80 -5.01 114.28 98.18 2kk2 n THR 11 Ca 0.21 -0.46 -0.40 0.00 -2.27 0.00 0.00 64.05 61.14 2kk2 n THR 11 Cb 0.62 1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 69.80 2kk2 n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kk2 n PRO 13 N 5.42 0.71 -4.46 0.00 -0.04 -1.26 -4.72 135.00 130.64 2kk2 n PRO 13 Ca -0.05 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.18 2kk2 n PRO 13 Cb 0.50 -1.10 -0.16 0.00 -0.04 0.00 0.00 33.50 32.70 2kk2 n PRO 13 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2kk2 s HIS 14 N -1.73 1.21 0.58 0.54 3.76 -1.26 -5.14 115.29 113.26 2kk2 s HIS 14 Ca 0.00 -0.41 -0.15 0.00 -0.15 0.00 0.00 55.06 54.35 2kk2 s HIS 14 Cb 0.00 -0.92 -0.05 0.00 1.11 0.00 0.00 32.58 32.73 2kk2 s HIS 14 CO 0.00 -0.23 1.03 0.95 -0.85 0.00 0.00 174.74 175.64 2kk2 s THR 15 N 0.67 4.22 0.50 1.30 -4.23 -1.26 -4.71 115.64 112.13 2kk2 s THR 15 Ca -0.13 0.97 0.34 0.00 -1.18 0.00 0.00 61.69 61.69 2kk2 s THR 15 Cb -0.15 -3.57 0.37 0.00 1.34 0.00 0.00 72.50 70.49 2kk2 s THR 15 CO 0.02 -0.70 2.20 -0.29 -0.54 0.00 0.00 174.62 175.31 2kk2 h ILE 16 N 0.37 0.32 -0.82 2.99 2.10 -1.99 0.86 117.51 121.34 2kk2 h ILE 16 Ca -0.46 -0.24 0.07 0.00 1.08 0.00 0.00 64.86 65.32 2kk2 h ILE 16 Cb 1.20 1.17 -0.05 0.00 -1.09 0.00 0.00 36.82 38.05 2kk2 h ILE 16 CO 0.59 0.04 0.54 -1.28 -1.08 0.00 0.00 178.15 176.96 2kk2 h SER 17 N 0.00 0.77 -0.57 2.19 0.87 -2.06 -3.28 113.55 111.46 2kk2 h SER 17 Ca -0.00 0.01 -0.29 0.00 -1.23 0.00 0.00 61.79 60.28 2kk2 h SER 17 Cb 0.17 -0.15 -0.40 0.00 -0.44 0.00 0.00 62.40 61.57 2kk2 h SER 17 CO 0.01 0.48 -1.11 1.33 -0.53 0.00 0.00 176.83 177.01 2kk2 n VAL 18 N -4.49 1.30 -0.11 2.23 0.24 0.15 -4.89 118.33 112.76 2kk2 n VAL 18 Ca 0.13 -3.05 -0.21 0.00 -2.04 0.00 0.00 64.34 59.17 2kk2 n VAL 18 Cb 0.24 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.53 2kk2 n VAL 18 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2kk2 n VAL 19 N -0.50 1.52 0.40 3.34 3.14 -0.31 -4.01 118.33 121.90 2kk2 n VAL 19 Ca 0.10 -0.04 -0.19 0.00 -2.96 0.00 0.00 64.34 61.25 2kk2 n VAL 19 Cb 0.81 -2.06 -0.09 0.00 -1.06 0.00 0.00 33.84 31.44 2kk2 n VAL 19 CO 0.00 0.00 0.00 -0.25 -6.46 0.00 0.00 176.83 170.12 2kk2 h TRP 20 N -1.00 -1.04 -0.50 1.45 2.91 -1.88 -1.31 115.95 114.59 2kk2 h TRP 20 Ca -0.35 -0.02 0.10 0.00 1.13 0.00 0.00 58.89 59.75 2kk2 h TRP 20 Cb 1.26 0.36 -0.10 0.00 -0.51 0.00 0.00 29.16 30.16 2kk2 h TRP 20 CO 0.03 -0.62 -0.26 -0.92 -1.03 0.00 0.00 178.44 175.64 2kk2 h TYR 21 N -1.04 -0.70 -0.32 2.65 3.20 -1.94 -1.72 116.97 117.11 2kk2 h TYR 21 Ca -0.10 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2kk2 h TYR 21 Cb 0.82 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 2kk2 h TYR 21 CO -0.06 -0.34 0.15 1.05 -1.64 0.00 0.00 178.16 177.32 2kk2 h GLU 22 N -0.15 0.45 -0.00 1.82 -0.00 -1.62 0.14 114.58 115.23 2kk2 h GLU 22 Ca 0.22 -0.07 0.00 0.00 -0.00 0.00 0.00 59.36 59.52 2kk2 h GLU 22 Cb 0.51 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.17 2kk2 h GLU 22 CO -0.59 0.42 -0.30 0.00 -0.00 0.00 0.00 179.01 178.54 2kk2 n THR 24 N -1.26 0.00 0.06 0.00 -2.24 -0.68 -2.96 114.28 107.20 2kk2 n THR 24 Ca 0.08 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2kk2 n THR 24 Cb 0.33 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 2kk2 n THR 24 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2kk2 n GLU 25 N -0.01 0.00 -1.87 -0.78 0.00 0.47 -4.22 120.64 114.23 2kk2 n GLU 25 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 56.90 2kk2 n GLU 25 Cb 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 31.44 31.42 2kk2 n GLU 25 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2kk2 s ASN 26 N -5.06 4.75 0.56 4.31 2.47 -1.07 -4.82 114.94 116.08 2kk2 s ASN 26 Ca 0.00 -0.15 0.37 0.00 0.42 0.00 0.00 52.86 53.50 2kk2 s ASN 26 Cb 0.00 -2.55 1.85 0.00 -1.45 0.00 0.00 41.25 39.11 2kk2 s ASN 26 CO 0.00 -3.01 2.12 0.71 -3.72 0.00 0.00 177.10 173.20 2kk2 h THR 27 N 7.36 0.00 -0.01 -5.21 1.35 -1.88 -0.31 112.91 114.21 2kk2 h THR 27 Ca -0.02 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2kk2 h THR 27 Cb 1.05 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2kk2 h THR 27 CO 1.15 0.00 0.09 0.00 -0.25 0.00 0.00 175.52 176.51 2kk2 h ALA 28 N 2.02 1.15 0.00 6.62 0.00 -1.91 -3.34 119.26 123.80 2kk2 h ALA 28 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kk2 h ALA 28 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kk2 h ALA 28 CO 0.00 -0.10 -0.37 0.09 0.00 0.00 0.00 179.25 178.87 2kk2 n ASN 29 N -3.11 0.28 -4.57 0.00 3.02 -0.39 -5.11 115.26 105.38 2kk2 n ASN 29 Ca -0.02 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.07 2kk2 n ASN 29 Cb 0.16 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 2kk2 n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kk2 n GLY 31 N 1.47 -0.07 0.20 0.00 0.00 -1.16 -2.77 105.19 102.87 2kk2 n GLY 31 Ca 0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 2kk2 n GLY 31 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kk2 h THR 32 N 0.00 0.89 -0.46 2.61 2.02 -1.56 -1.07 112.91 115.34 2kk2 h THR 32 Ca 0.00 -0.15 -0.14 0.00 0.77 0.00 0.00 66.41 66.89 2kk2 h THR 32 Cb 0.00 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2kk2 h THR 32 CO 0.00 0.08 -0.26 0.00 0.37 0.00 0.00 175.52 175.71 2kk2 h ALA 33 N 1.31 0.67 0.02 6.16 0.00 -1.92 -0.81 119.26 124.69 2kk2 h ALA 33 Ca 0.23 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2kk2 h ALA 33 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2kk2 h ALA 33 CO -0.20 0.68 -0.13 0.00 0.00 0.00 0.00 179.25 179.59 2kk2 n ASP 36 N -5.42 0.00 0.00 0.00 -0.08 -0.34 -0.03 116.55 110.68 2kk2 n ASP 36 Ca -0.06 0.17 0.11 0.00 -1.51 0.00 0.00 54.79 53.50 2kk2 n ASP 36 Cb 0.33 -0.33 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 2kk2 n ASP 36 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2kk2 n SER 37 N -1.33 0.23 0.00 1.67 7.64 -0.85 -4.69 113.62 116.30 2kk2 n SER 37 Ca 0.06 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2kk2 n SER 37 Cb 0.12 1.70 0.00 0.00 -1.01 0.00 0.00 64.21 65.02 2kk2 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kk2 s PHE 39 N -1.52 -0.38 0.33 0.00 0.08 0.95 -1.20 117.98 116.24 2kk2 s PHE 39 Ca 0.00 0.90 0.08 0.00 0.12 0.00 0.00 56.93 58.02 2kk2 s PHE 39 Cb 0.00 0.13 -0.06 0.00 -0.57 0.00 0.00 43.02 42.51 2kk2 s PHE 39 CO 0.00 -0.20 -0.05 -1.21 -0.10 0.00 0.00 175.22 173.66 2kk2 s GLU 40 N 0.51 1.73 4.73 0.44 2.02 -0.93 -3.92 118.70 123.29 2kk2 s GLU 40 Ca -0.03 -1.91 0.00 0.00 0.02 0.00 0.00 54.97 53.06 2kk2 s GLU 40 Cb -0.04 -1.42 0.00 0.00 0.10 0.00 0.00 34.13 32.76 2kk2 s GLU 40 CO -0.03 0.05 0.00 1.28 0.02 0.00 0.00 175.26 176.58 2kk2 n LEU 41 N -0.73 0.00 0.08 1.80 4.77 -1.26 -0.85 117.00 120.81 2kk2 n LEU 41 Ca -0.05 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.09 2kk2 n LEU 41 Cb 0.64 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.39 2kk2 n LEU 41 CO 0.43 0.00 1.15 0.74 -1.33 0.00 0.00 177.39 178.37 2kk2 h THR 42 N 0.00 0.84 -0.21 -5.08 2.02 -1.98 -1.04 112.91 107.45 2kk2 h THR 42 Ca 0.00 -0.01 -0.18 0.00 0.77 0.00 0.00 66.41 66.99 2kk2 h THR 42 Cb 0.00 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2kk2 h THR 42 CO 0.00 0.01 -0.61 1.23 0.37 0.00 0.00 175.52 176.52 2kk2 h GLY 43 N 0.03 0.78 0.74 2.16 0.00 -1.28 -1.75 103.07 103.74 2kk2 h GLY 43 Ca 0.17 -0.96 0.00 0.00 0.00 0.00 0.00 47.33 46.55 2kk2 h GLY 43 CO -0.01 0.86 -0.22 -0.57 0.00 0.00 0.00 176.54 176.60 2kk2 h ASN 44 N 0.53 -0.58 -0.36 0.19 -0.73 0.16 -0.71 115.58 114.07 2kk2 h ASN 44 Ca -0.00 0.06 0.08 0.00 1.87 0.00 0.00 56.30 58.30 2kk2 h ASN 44 Cb 1.19 0.20 -0.07 0.00 0.27 0.00 0.00 38.32 39.91 2kk2 h ASN 44 CO 0.12 -0.32 -0.12 0.74 -0.37 0.00 0.00 177.43 177.48 2kk2 h THR 45 N -0.46 0.57 -0.60 -3.57 2.02 -1.24 -0.66 112.91 108.97 2kk2 h THR 45 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2kk2 h THR 45 Cb 0.44 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 2kk2 h THR 45 CO -0.06 0.00 0.36 0.24 0.37 0.00 0.00 175.52 176.43 2kk2 h MET 46 N -0.05 0.82 -0.12 6.66 2.86 -1.08 -1.56 114.93 122.45 2kk2 h MET 46 Ca 0.18 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2kk2 h MET 46 Cb 0.32 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 2kk2 h MET 46 CO -0.40 0.59 -0.06 0.00 1.06 0.00 0.00 176.91 178.10 2kk2 h LEU 48 N -0.06 -0.25 -2.00 0.00 3.38 -0.98 -0.57 115.31 114.83 2kk2 h LEU 48 Ca 0.07 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2kk2 h LEU 48 Cb 0.16 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2kk2 h LEU 48 CO -0.16 -0.09 -0.09 0.25 0.09 0.00 0.00 178.44 178.44 2kk2 h LEU 49 N 0.02 0.00 0.02 1.67 6.46 -0.79 0.55 115.31 123.25 2kk2 h LEU 49 Ca 0.15 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.91 2kk2 h LEU 49 Cb 0.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 2kk2 h LEU 49 CO -0.30 0.09 -0.01 -0.61 -0.62 0.00 0.00 178.44 176.99 2kk2 h GLN 50 N 0.00 -0.03 0.48 1.25 5.75 -0.81 -3.33 115.11 118.42 2kk2 h GLN 50 Ca -0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2kk2 h GLN 50 Cb 0.20 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.76 2kk2 h GLN 50 CO 0.01 0.48 -0.23 0.00 -2.65 0.00 0.00 178.83 176.44 2kk2 h ALA 51 N -0.46 -0.65 -0.28 3.38 0.00 -0.57 -2.98 119.26 117.71 2kk2 h ALA 51 Ca -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2kk2 h ALA 51 Cb 0.52 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2kk2 h ALA 51 CO 0.01 -0.84 0.08 0.41 0.00 0.00 0.00 179.25 178.90 2kk2 n GLY 52 N -1.22 2.35 0.00 0.00 0.00 0.14 -4.62 105.19 101.84 2kk2 n GLY 52 Ca -0.12 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2kk2 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk2 n ALA 53 N 0.13 0.00 -3.54 4.61 0.00 -1.13 -4.97 120.51 115.61 2kk2 n ALA 53 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.50 2kk2 n ALA 53 Cb 0.72 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.14 2kk2 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk2 s ALA 54 N -2.21 -1.90 0.00 0.00 0.00 -1.26 -4.98 121.76 111.42 2kk2 s ALA 54 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2kk2 s ALA 54 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2kk2 s ALA 54 CO 0.00 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2kk2 n GLY 55 N 0.09 1.37 0.42 0.00 0.00 -1.26 -4.86 105.19 100.95 2kk2 n GLY 55 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2kk2 n GLY 55 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kk2 h SER 56 N 0.00 -1.59 -0.08 1.61 4.64 -1.94 -3.46 113.55 112.74 2kk2 h SER 56 Ca 0.00 0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 2kk2 h SER 56 Cb 0.00 0.67 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 2kk2 h SER 56 CO 0.00 -0.39 -0.02 0.61 -0.87 0.00 0.00 176.83 176.16 2kk2 n GLY 57 N -1.41 0.43 3.96 -0.77 0.00 -1.26 -4.89 105.19 101.26 2kk2 n GLY 57 Ca -0.02 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 2kk2 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk2 s ASP 59 N -4.20 6.69 -0.04 0.00 1.11 -1.11 -4.91 116.67 114.21 2kk2 s ASP 59 Ca 0.47 1.93 0.03 0.00 0.18 0.00 0.00 52.55 55.16 2kk2 s ASP 59 Cb -0.10 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.36 2kk2 s ASP 59 CO 0.36 -0.95 -0.13 0.00 1.18 0.00 0.00 175.17 175.63 2kk2 s MET 60 N 4.01 1.41 0.00 8.23 0.23 -1.26 -1.35 119.30 130.57 2kk2 s MET 60 Ca 0.67 -0.46 0.28 0.00 -1.03 0.00 0.00 55.69 55.15 2kk2 s MET 60 Cb -0.28 -1.25 0.95 0.00 -1.53 0.00 0.00 34.83 32.72 2kk2 s MET 60 CO 0.25 0.17 1.69 -0.85 -2.03 0.00 0.00 175.02 174.24