#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk2 s ASN 2 N 0.00 7.22 0.41 2.98 -0.87 -1.26 -4.94 114.94 118.47 2kk2 s ASN 2 Ca 0.00 1.47 0.29 0.00 -1.57 0.00 0.00 52.86 53.05 2kk2 s ASN 2 Cb 0.00 -2.51 1.33 0.00 -0.02 0.00 0.00 41.25 40.05 2kk2 s ASN 2 CO 0.00 -0.19 1.87 1.55 -2.57 0.00 0.00 177.10 177.76 2kk2 h PRO 3 N 6.69 0.00 0.00 -0.60 0.13 -1.91 -1.73 132.00 134.58 2kk2 h PRO 3 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kk2 h PRO 3 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kk2 h PRO 3 CO 0.75 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.91 2kk2 n GLU 4 N -2.59 0.12 -0.26 0.86 1.02 -1.26 -0.81 120.64 117.72 2kk2 n GLU 4 Ca 0.00 0.62 0.07 0.00 -0.02 0.00 0.00 57.16 57.83 2kk2 n GLU 4 Cb 0.19 -1.90 0.21 0.00 -0.02 0.00 0.00 31.44 29.92 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 0.10 -0.08 1.62 3.58 -1.72 -3.17 116.42 116.75 2kk2 h ASP 5 Ca 0.00 0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 2kk2 h ASP 5 Cb 0.01 0.18 -0.05 0.00 1.72 0.00 0.00 39.33 41.18 2kk2 h ASP 5 CO 0.00 -0.02 -0.55 0.47 -2.88 0.00 0.00 179.24 176.26 2kk2 n ASP 6 N -5.12 2.04 -4.72 2.28 8.00 0.01 -5.00 116.55 114.04 2kk2 n ASP 6 Ca 0.16 -3.85 -0.42 0.00 0.71 0.00 0.00 54.79 51.39 2kk2 n ASP 6 Cb 0.50 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 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 -3.21 3.06 -0.33 1.24 5.04 -1.01 -2.03 117.35 120.11 2kk2 s TYR 7 Ca 0.39 0.64 0.03 0.00 -2.44 0.00 0.00 57.07 55.69 2kk2 s TYR 7 Cb 0.37 -3.92 0.10 0.00 0.35 0.00 0.00 41.96 38.86 2kk2 s TYR 7 CO -0.06 -3.38 0.04 0.95 -1.34 0.00 0.00 175.55 171.76 2kk2 s THR 8 N 1.16 2.07 -0.70 4.34 -4.23 -0.84 -4.99 115.64 112.45 2kk2 s THR 8 Ca 0.70 -2.14 0.20 0.00 -1.18 0.00 0.00 61.69 59.27 2kk2 s THR 8 Cb -0.43 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.11 2kk2 s THR 8 CO 0.31 -0.55 1.63 -0.81 -0.54 0.00 0.00 174.62 174.66 2kk2 n PRO 9 N 4.35 0.12 0.21 3.99 -0.04 -1.26 -2.83 135.00 139.54 2kk2 n PRO 9 Ca 0.01 0.34 -0.14 0.00 -0.04 0.00 0.00 63.50 63.67 2kk2 n PRO 9 Cb 0.42 -1.72 -0.08 0.00 -0.04 0.00 0.00 33.50 32.08 2kk2 n PRO 9 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kk2 h LEU 10 N 0.00 -1.16 -1.98 1.53 -0.00 -1.94 -3.24 115.31 108.53 2kk2 h LEU 10 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2kk2 h LEU 10 Cb 0.34 0.39 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 2kk2 h LEU 10 CO 0.00 -0.52 0.00 1.07 -0.00 0.00 0.00 178.44 178.99 2kk2 n THR 11 N -4.89 0.28 -3.01 0.22 5.66 -1.25 -4.86 114.28 106.43 2kk2 n THR 11 Ca -0.09 -0.64 -0.43 0.00 -3.05 0.00 0.00 64.05 59.84 2kk2 n THR 11 Cb 0.37 1.10 -0.06 0.00 -1.55 0.00 0.00 70.33 70.19 2kk2 n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kk2 n PRO 13 N 6.61 0.45 -5.10 0.00 -0.04 -1.26 -4.73 135.00 130.93 2kk2 n PRO 13 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2kk2 n PRO 13 Cb 0.48 -1.28 -0.16 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.00 2.14 0.59 0.54 3.76 -1.26 -5.12 115.29 113.93 2kk2 s HIS 14 Ca 0.12 -0.40 -0.14 0.00 -0.15 0.00 0.00 55.06 54.49 2kk2 s HIS 14 Cb 0.05 -1.35 -0.04 0.00 1.11 0.00 0.00 32.58 32.35 2kk2 s HIS 14 CO 0.09 -0.00 1.03 0.95 -0.85 0.00 0.00 174.74 175.96 2kk2 s THR 15 N -0.62 4.28 -0.32 1.30 -4.23 -1.26 -4.80 115.64 109.98 2kk2 s THR 15 Ca 0.09 0.94 0.20 0.00 -1.18 0.00 0.00 61.69 61.75 2kk2 s THR 15 Cb -0.09 -3.60 0.20 0.00 1.34 0.00 0.00 72.50 70.35 2kk2 s THR 15 CO -0.00 -0.77 1.61 0.00 -0.54 0.00 0.00 174.62 174.92 2kk2 n ILE 16 N -2.24 1.09 -0.04 2.99 3.06 -1.26 -1.26 119.36 121.71 2kk2 n ILE 16 Ca 0.07 0.64 -0.08 0.00 -2.50 0.00 0.00 62.75 60.88 2kk2 n ILE 16 Cb 0.54 -1.62 -0.02 0.00 0.54 0.00 0.00 39.64 39.07 2kk2 n ILE 16 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 2kk2 h SER 17 N 0.00 -0.27 -1.42 9.51 0.87 -2.06 -3.39 113.55 116.80 2kk2 h SER 17 Ca 0.00 0.07 -0.43 0.00 -1.23 0.00 0.00 61.79 60.20 2kk2 h SER 17 Cb 0.06 0.16 -0.30 0.00 -0.44 0.00 0.00 62.40 61.88 2kk2 h SER 17 CO 0.00 -0.10 -0.86 1.33 -0.53 0.00 0.00 176.83 176.67 2kk2 n VAL 18 N -5.23 -0.53 -0.08 2.23 0.24 -0.39 -4.90 118.33 109.67 2kk2 n VAL 18 Ca -0.02 -2.93 -0.17 0.00 -2.04 0.00 0.00 64.34 59.18 2kk2 n VAL 18 Cb 0.15 -0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 31.79 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 1.86 0.92 0.17 3.34 3.14 -0.95 -4.32 118.33 122.50 2kk2 n VAL 19 Ca 0.19 -0.25 -0.11 0.00 -2.96 0.00 0.00 64.34 61.21 2kk2 n VAL 19 Cb 0.55 -1.62 -0.06 0.00 -1.06 0.00 0.00 33.84 31.65 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 -0.51 -0.82 -0.72 1.45 2.91 -1.89 -1.80 115.95 114.57 2kk2 h TRP 20 Ca -0.42 0.01 0.16 0.00 1.13 0.00 0.00 58.89 59.77 2kk2 h TRP 20 Cb 1.40 0.32 -0.13 0.00 -0.51 0.00 0.00 29.16 30.24 2kk2 h TRP 20 CO -0.04 -0.39 -0.05 -0.92 -1.03 0.00 0.00 178.44 176.00 2kk2 h TYR 21 N -0.58 -0.15 -0.13 2.65 5.03 -1.94 -0.78 116.97 121.07 2kk2 h TYR 21 Ca -0.04 0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 2kk2 h TYR 21 Cb 0.51 0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 2kk2 h TYR 21 CO -0.19 -0.25 -0.07 1.05 -1.32 0.00 0.00 178.16 177.38 2kk2 h GLU 22 N 0.07 0.19 -0.02 1.82 -0.00 -1.66 0.46 114.58 115.44 2kk2 h GLU 22 Ca 0.38 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.70 2kk2 h GLU 22 Cb 0.63 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.35 2kk2 h GLU 22 CO -0.66 0.28 -0.12 0.00 -0.00 0.00 0.00 179.01 178.50 2kk2 n THR 24 N 0.65 0.00 0.05 0.00 -2.24 -0.41 -3.80 114.28 108.53 2kk2 n THR 24 Ca 0.09 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2kk2 n THR 24 Cb 0.42 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.43 0.00 -2.04 -0.78 0.00 0.09 -4.18 120.64 113.30 2kk2 n GLU 25 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.88 2kk2 n GLU 25 Cb 0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 31.44 31.10 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 -5.31 5.14 0.66 4.31 2.47 -1.15 -4.83 114.94 116.23 2kk2 s ASN 26 Ca 0.00 -0.53 0.37 0.00 0.42 0.00 0.00 52.86 53.12 2kk2 s ASN 26 Cb 0.00 -2.56 2.03 0.00 -1.45 0.00 0.00 41.25 39.28 2kk2 s ASN 26 CO 0.00 -2.71 2.16 0.71 -3.72 0.00 0.00 177.10 173.54 2kk2 h THR 27 N 7.22 0.05 -0.06 -5.21 1.35 -1.86 0.58 112.91 114.98 2kk2 h THR 27 Ca 0.05 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.93 2kk2 h THR 27 Cb 1.03 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 2kk2 h THR 27 CO 1.21 0.00 0.10 0.00 -0.25 0.00 0.00 175.52 176.58 2kk2 h ALA 28 N 1.70 1.44 0.00 6.62 0.00 -1.92 -3.34 119.26 123.76 2kk2 h ALA 28 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kk2 h ALA 28 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2kk2 h ALA 28 CO -0.00 -0.13 -0.53 0.09 0.00 0.00 0.00 179.25 178.68 2kk2 n ASN 29 N -3.50 0.61 -4.57 0.00 3.02 -0.29 -5.09 115.26 105.44 2kk2 n ASN 29 Ca -0.01 0.00 -0.50 0.00 -0.03 0.00 0.00 54.58 54.04 2kk2 n ASN 29 Cb 0.19 0.00 -0.04 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 2.05 1.87 0.10 0.00 0.00 -1.25 -1.74 105.19 106.23 2kk2 n GLY 31 Ca 0.16 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 1.67 1.14 -0.97 2.61 2.02 -1.68 -2.28 112.91 115.41 2kk2 h THR 32 Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 2kk2 h THR 32 Cb 0.00 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 2kk2 h THR 32 CO 0.00 0.13 0.62 0.00 0.37 0.00 0.00 175.52 176.64 2kk2 h ALA 33 N 0.93 1.24 -0.04 6.16 0.00 -1.93 -0.43 119.26 125.19 2kk2 h ALA 33 Ca 0.05 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2kk2 h ALA 33 Cb 0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2kk2 h ALA 33 CO -0.01 0.66 -0.17 0.00 0.00 0.00 0.00 179.25 179.73 2kk2 h ASP 36 N 0.02 0.00 -0.02 0.00 1.82 -0.80 0.21 116.42 117.65 2kk2 h ASP 36 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2kk2 h ASP 36 Cb 0.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.09 2kk2 h ASP 36 CO -0.11 0.17 0.00 -1.20 -1.61 0.00 0.00 179.24 176.49 2kk2 n SER 37 N -4.00 1.03 0.00 2.28 7.64 -0.23 -4.33 113.62 116.01 2kk2 n SER 37 Ca -0.02 -1.38 0.00 0.00 1.01 0.00 0.00 58.87 58.48 2kk2 n SER 37 Cb 0.25 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.66 -0.02 0.29 0.00 0.08 0.65 -1.99 117.98 116.34 2kk2 s PHE 39 Ca 0.00 0.06 0.07 0.00 0.12 0.00 0.00 56.93 57.19 2kk2 s PHE 39 Cb 0.00 -0.02 -0.06 0.00 -0.57 0.00 0.00 43.02 42.38 2kk2 s PHE 39 CO 0.00 -0.14 -0.07 -1.21 -0.10 0.00 0.00 175.22 173.70 2kk2 s GLU 40 N -0.54 1.61 4.02 0.44 2.02 -0.86 -3.92 118.70 121.47 2kk2 s GLU 40 Ca -0.06 -1.82 0.00 0.00 0.02 0.00 0.00 54.97 53.11 2kk2 s GLU 40 Cb -0.04 -1.29 0.00 0.00 0.10 0.00 0.00 34.13 32.90 2kk2 s GLU 40 CO 0.00 0.07 0.00 1.28 0.02 0.00 0.00 175.26 176.63 2kk2 n LEU 41 N -0.63 0.00 0.26 1.80 4.77 -1.26 -0.72 117.00 121.22 2kk2 n LEU 41 Ca -0.05 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.06 2kk2 n LEU 41 Cb 0.63 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.45 2kk2 n LEU 41 CO 0.40 0.00 0.97 0.74 -1.33 0.00 0.00 177.39 178.18 2kk2 h THR 42 N 0.00 0.53 -0.26 -5.08 2.02 -1.98 -1.30 112.91 106.83 2kk2 h THR 42 Ca 0.00 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 66.65 2kk2 h THR 42 Cb 0.00 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2kk2 h THR 42 CO 0.00 0.11 0.12 1.23 0.37 0.00 0.00 175.52 177.36 2kk2 h GLY 43 N 0.94 0.35 0.87 2.16 0.00 -1.19 -2.24 103.07 103.95 2kk2 h GLY 43 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 2kk2 h GLY 43 CO 0.02 0.07 -0.16 -0.57 0.00 0.00 0.00 176.54 175.89 2kk2 h ASN 44 N 0.26 -0.40 -0.83 0.19 -0.73 -0.08 -2.45 115.58 111.54 2kk2 h ASN 44 Ca 0.11 0.03 0.13 0.00 1.87 0.00 0.00 56.30 58.44 2kk2 h ASN 44 Cb 0.04 0.13 -0.09 0.00 0.27 0.00 0.00 38.32 38.68 2kk2 h ASN 44 CO -0.09 -0.24 0.43 0.74 -0.37 0.00 0.00 177.43 177.90 2kk2 h THR 45 N -0.37 0.78 -0.26 -3.57 2.02 -1.27 -0.13 112.91 110.11 2kk2 h THR 45 Ca -0.01 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2kk2 h THR 45 Cb 0.33 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2kk2 h THR 45 CO -0.01 0.12 0.10 0.24 0.37 0.00 0.00 175.52 176.34 2kk2 h MET 46 N 0.66 0.39 -0.12 6.66 2.86 -1.22 -1.63 114.93 122.53 2kk2 h MET 46 Ca 0.44 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 58.03 2kk2 h MET 46 Cb 0.56 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 2kk2 h MET 46 CO -0.33 0.44 -0.06 0.00 1.06 0.00 0.00 176.91 178.02 2kk2 h LEU 48 N -0.06 -0.15 -0.96 0.00 3.38 -1.06 -0.16 115.31 116.29 2kk2 h LEU 48 Ca 0.07 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.22 2kk2 h LEU 48 Cb 0.16 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 2kk2 h LEU 48 CO -0.16 -0.04 0.61 -0.07 0.09 0.00 0.00 178.44 178.87 2kk2 h LEU 49 N 0.11 0.93 -0.00 1.67 3.38 -0.85 0.34 115.31 120.88 2kk2 h LEU 49 Ca 0.19 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2kk2 h LEU 49 Cb 0.26 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kk2 h LEU 49 CO -0.31 0.55 -0.01 -0.61 0.09 0.00 0.00 178.44 178.15 2kk2 h GLN 50 N 1.03 0.01 -0.93 1.13 5.75 -0.51 -3.28 115.11 118.31 2kk2 h GLN 50 Ca 0.45 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 59.02 2kk2 h GLN 50 Cb 0.32 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.81 2kk2 h GLN 50 CO -0.22 0.74 0.60 0.00 -2.65 0.00 0.00 178.83 177.30 2kk2 h ALA 51 N 0.27 1.53 0.00 3.38 0.00 -0.88 0.15 119.26 123.71 2kk2 h ALA 51 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kk2 h ALA 51 Cb 0.74 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kk2 h ALA 51 CO 0.00 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.97 2kk2 n GLY 52 N -1.39 -0.55 0.29 0.00 0.00 0.09 -4.04 105.19 99.59 2kk2 n GLY 52 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.59 1.42 -1.42 4.61 0.00 -0.39 -4.72 120.51 119.42 2kk2 n ALA 53 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.07 2kk2 n ALA 53 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 2kk2 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk2 n ALA 54 N -1.65 7.25 0.00 0.00 0.00 0.40 -3.38 120.51 123.13 2kk2 n ALA 54 Ca 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 53.44 49.82 2kk2 n ALA 54 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 16.09 2kk2 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kk2 n GLY 55 N 3.52 1.49 2.49 0.00 0.00 -1.26 -4.72 105.19 106.71 2kk2 n GLY 55 Ca 0.74 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.73 2kk2 n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kk2 n SER 56 N 0.00 -3.73 -1.02 1.61 7.64 -1.22 -4.80 113.62 112.10 2kk2 n SER 56 Ca 0.00 0.08 0.09 0.00 1.01 0.00 0.00 58.87 60.05 2kk2 n SER 56 Cb 0.00 -2.62 0.24 0.00 -1.01 0.00 0.00 64.21 60.83 2kk2 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kk2 n GLY 57 N 0.42 1.58 3.86 0.23 0.00 -1.26 -4.95 105.19 105.08 2kk2 n GLY 57 Ca -0.03 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 2kk2 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk2 n ASP 59 N -4.00 6.19 -4.55 0.00 -0.08 -0.71 -4.92 116.55 108.47 2kk2 n ASP 59 Ca 0.15 -3.31 -0.42 0.00 -1.51 0.00 0.00 54.79 49.70 2kk2 n ASP 59 Cb 0.59 -1.30 -0.03 0.00 2.34 0.00 0.00 41.12 42.72 2kk2 n ASP 59 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2kk2 s MET 60 N -2.38 3.34 0.00 -0.67 -1.94 -1.26 -1.94 119.30 114.44 2kk2 s MET 60 Ca 0.31 -0.08 0.29 0.00 -1.71 0.00 0.00 55.69 54.50 2kk2 s MET 60 Cb 0.01 -4.10 1.74 0.00 2.01 0.00 0.00 34.83 34.49 2kk2 s MET 60 CO 0.06 -1.84 2.08 -0.85 -0.01 0.00 0.00 175.02 174.45