#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 -7.26 0.30 2.98 3.02 -1.26 -4.53 115.26 108.51 2kk2 n ASN 2 Ca 0.00 1.24 0.19 0.00 -0.03 0.00 0.00 54.58 55.98 2kk2 n ASN 2 Cb 0.00 -4.37 0.94 0.00 -0.61 0.00 0.00 39.78 35.74 2kk2 n ASN 2 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2kk2 h PRO 3 N 2.56 0.00 0.00 3.52 0.13 -1.93 -2.30 132.00 133.98 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 0.02 0.06 0.39 -0.23 0.00 0.00 178.00 178.24 2kk2 n GLU 4 N -3.21 0.05 0.24 0.86 1.02 -1.26 -2.10 120.64 116.24 2kk2 n GLU 4 Ca -0.02 0.51 0.13 0.00 -0.02 0.00 0.00 57.16 57.77 2kk2 n GLU 4 Cb 0.18 -1.71 0.77 0.00 -0.02 0.00 0.00 31.44 30.66 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 1.82 -1.65 -2.94 116.42 115.27 2kk2 h ASP 5 Ca 0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.59 2kk2 h ASP 5 Cb 0.11 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 40.02 2kk2 h ASP 5 CO 0.00 0.00 -0.54 0.47 -1.61 0.00 0.00 179.24 177.56 2kk2 n ASP 6 N -4.17 1.40 -4.69 2.28 8.00 -0.89 -5.03 116.55 113.46 2kk2 n ASP 6 Ca -0.01 -2.95 -0.42 0.00 0.71 0.00 0.00 54.79 52.12 2kk2 n ASP 6 Cb 0.17 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 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 -1.83 2.26 -0.95 1.24 5.04 -1.12 -2.33 117.35 119.67 2kk2 s TYR 7 Ca 0.30 0.09 -0.03 0.00 -2.44 0.00 0.00 57.07 54.99 2kk2 s TYR 7 Cb 0.30 -4.12 0.24 0.00 0.35 0.00 0.00 41.96 38.74 2kk2 s TYR 7 CO -0.07 -4.56 0.90 0.25 -1.34 0.00 0.00 175.55 170.73 2kk2 n THR 8 N 4.70 3.48 0.31 4.34 -2.24 -0.68 -4.92 114.28 119.26 2kk2 n THR 8 Ca 0.17 -5.23 0.20 0.00 -2.27 0.00 0.00 64.05 56.92 2kk2 n THR 8 Cb 0.39 -2.39 0.97 0.00 -2.10 0.00 0.00 70.33 67.19 2kk2 n THR 8 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2kk2 h PRO 9 N 6.00 0.00 -0.08 -0.78 0.13 -1.86 -0.33 132.00 135.07 2kk2 h PRO 9 Ca 0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.23 2kk2 h PRO 9 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 2kk2 h PRO 9 CO 0.92 0.01 -0.29 -0.07 -0.23 0.00 0.00 178.00 178.34 2kk2 h LEU 10 N 0.00 0.14 0.00 1.56 3.38 -1.96 -3.18 115.31 115.25 2kk2 h LEU 10 Ca -0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2kk2 h LEU 10 Cb 0.24 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2kk2 h LEU 10 CO 0.00 0.44 -1.47 0.35 0.09 0.00 0.00 178.44 177.85 2kk2 n THR 11 N -4.15 0.01 -2.81 0.22 -2.24 -1.06 -5.00 114.28 99.24 2kk2 n THR 11 Ca -0.01 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 2kk2 n THR 11 Cb 0.37 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 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 6.15 0.76 -4.15 0.00 -0.04 -1.26 -4.77 135.00 131.68 2kk2 n PRO 13 Ca 0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 2kk2 n PRO 13 Cb 0.47 -1.20 -0.11 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.46 1.01 0.45 0.54 3.76 -1.26 -5.16 115.29 113.17 2kk2 s HIS 14 Ca 0.00 -0.59 -0.08 0.00 -0.15 0.00 0.00 55.06 54.24 2kk2 s HIS 14 Cb 0.00 -0.57 -0.05 0.00 1.11 0.00 0.00 32.58 33.07 2kk2 s HIS 14 CO 0.00 -0.01 0.78 0.95 -0.85 0.00 0.00 174.74 175.61 2kk2 s THR 15 N -1.99 4.85 -1.20 1.30 -4.23 -1.26 -4.89 115.64 108.21 2kk2 s THR 15 Ca 0.01 0.42 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 2kk2 s THR 15 Cb -0.06 -3.80 0.06 0.00 1.34 0.00 0.00 72.50 70.04 2kk2 s THR 15 CO 0.00 -0.69 1.06 0.00 -0.54 0.00 0.00 174.62 174.46 2kk2 n ILE 16 N -1.79 1.35 0.16 2.99 3.06 -1.26 -0.77 119.36 123.11 2kk2 n ILE 16 Ca 0.02 0.34 -0.14 0.00 -2.50 0.00 0.00 62.75 60.46 2kk2 n ILE 16 Cb 0.54 -1.26 -0.08 0.00 0.54 0.00 0.00 39.64 39.38 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 -0.32 -1.98 9.51 0.87 -2.06 -3.42 113.55 116.14 2kk2 h SER 17 Ca 0.00 -0.12 -0.54 0.00 -1.23 0.00 0.00 61.79 59.90 2kk2 h SER 17 Cb 0.06 0.08 -0.37 0.00 -0.44 0.00 0.00 62.40 61.74 2kk2 h SER 17 CO 0.00 -0.07 -1.02 1.33 -0.53 0.00 0.00 176.83 176.54 2kk2 n VAL 18 N -5.17 -0.82 -0.00 2.23 0.24 0.05 -4.87 118.33 110.00 2kk2 n VAL 18 Ca -0.10 -3.60 -0.00 0.00 -2.04 0.00 0.00 64.34 58.61 2kk2 n VAL 18 Cb 0.23 -1.59 -0.00 0.00 -1.47 0.00 0.00 33.84 31.01 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 1.94 0.01 0.14 3.34 3.14 -0.95 -4.25 118.33 121.70 2kk2 n VAL 19 Ca 0.23 -0.01 -0.06 0.00 -2.96 0.00 0.00 64.34 61.55 2kk2 n VAL 19 Cb 0.52 -0.75 -0.03 0.00 -1.06 0.00 0.00 33.84 32.52 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 0.00 -0.34 -0.73 1.45 2.91 -1.89 -2.72 115.95 114.63 2kk2 h TRP 20 Ca -0.00 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.05 2kk2 h TRP 20 Cb 1.01 0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 29.73 2kk2 h TRP 20 CO 0.00 -0.21 0.48 -0.92 -1.03 0.00 0.00 178.44 176.76 2kk2 h TYR 21 N -0.42 0.84 -0.75 2.65 5.03 -1.95 -1.11 116.97 121.26 2kk2 h TYR 21 Ca -0.04 0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.45 2kk2 h TYR 21 Cb 0.28 -0.28 -0.05 0.00 1.55 0.00 0.00 36.73 38.24 2kk2 h TYR 21 CO 0.14 0.47 0.51 1.05 -1.32 0.00 0.00 178.16 179.01 2kk2 h GLU 22 N 0.86 0.38 -0.01 1.82 -0.00 -1.77 -0.95 114.58 114.91 2kk2 h GLU 22 Ca 0.30 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.64 2kk2 h GLU 22 Cb 0.11 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 28.78 2kk2 h GLU 22 CO -0.09 0.25 -0.05 0.00 -0.00 0.00 0.00 179.01 179.12 2kk2 n THR 24 N 0.48 0.00 0.00 0.00 -2.24 -0.71 -3.52 114.28 108.29 2kk2 n THR 24 Ca 0.06 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2kk2 n THR 24 Cb 0.28 1.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.19 0.00 -2.50 -0.78 2.13 -0.43 -4.15 120.64 114.73 2kk2 n GLU 25 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 2kk2 n GLU 25 Cb 0.08 -0.32 -0.03 0.00 0.27 0.00 0.00 31.44 31.44 2kk2 n GLU 25 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2kk2 s ASN 26 N -1.70 6.18 0.39 4.31 2.47 -0.81 -4.87 114.94 120.91 2kk2 s ASN 26 Ca 0.00 -0.77 0.27 0.00 0.42 0.00 0.00 52.86 52.78 2kk2 s ASN 26 Cb 0.00 -2.56 1.37 0.00 -1.45 0.00 0.00 41.25 38.60 2kk2 s ASN 26 CO 0.00 -1.80 1.83 0.71 -3.72 0.00 0.00 177.10 174.12 2kk2 h THR 27 N 6.43 0.00 -0.83 -5.21 1.35 -1.86 0.21 112.91 113.00 2kk2 h THR 27 Ca -0.08 -0.10 0.22 0.00 -0.55 0.00 0.00 66.41 65.89 2kk2 h THR 27 Cb 1.04 0.77 -0.05 0.00 -1.73 0.00 0.00 68.15 68.19 2kk2 h THR 27 CO 1.33 0.00 0.57 0.00 -0.25 0.00 0.00 175.52 177.17 2kk2 h ALA 28 N 2.06 2.52 0.00 6.62 0.00 -1.90 -3.34 119.26 125.22 2kk2 h ALA 28 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kk2 h ALA 28 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kk2 h ALA 28 CO 0.00 -0.76 -0.62 0.09 0.00 0.00 0.00 179.25 177.95 2kk2 n ASN 29 N -4.39 1.86 -4.48 0.00 3.02 -0.65 -5.07 115.26 105.55 2kk2 n ASN 29 Ca 0.17 0.00 -0.47 0.00 -0.03 0.00 0.00 54.58 54.25 2kk2 n ASN 29 Cb 0.78 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.93 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 1.69 -1.13 0.23 0.00 0.00 -1.23 -0.46 105.19 104.29 2kk2 n GLY 31 Ca 0.15 -1.49 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 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 0.62 -0.72 2.61 2.02 -1.69 -2.15 112.91 113.60 2kk2 h THR 32 Ca 0.00 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 2kk2 h THR 32 Cb 0.00 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2kk2 h THR 32 CO 0.00 0.06 0.37 0.00 0.37 0.00 0.00 175.52 176.32 2kk2 h ALA 33 N -0.16 1.29 0.00 6.16 0.00 -1.94 -1.23 119.26 123.38 2kk2 h ALA 33 Ca -0.05 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2kk2 h ALA 33 Cb 0.49 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2kk2 h ALA 33 CO 0.09 0.56 -0.39 0.00 0.00 0.00 0.00 179.25 179.51 2kk2 h ASP 36 N 0.55 0.00 0.33 0.00 3.58 -0.95 0.18 116.42 120.10 2kk2 h ASP 36 Ca 0.16 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 2kk2 h ASP 36 Cb -0.03 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2kk2 h ASP 36 CO -0.06 0.43 -0.29 0.28 -2.88 0.00 0.00 179.24 176.73 2kk2 h SER 37 N 0.00 0.00 0.00 2.28 0.02 -0.50 -3.36 113.55 111.99 2kk2 h SER 37 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kk2 h SER 37 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2kk2 h SER 37 CO 0.06 0.29 -0.28 0.00 -1.14 0.00 0.00 176.83 175.76 2kk2 s PHE 39 N -1.02 0.25 0.43 0.00 0.08 0.58 -1.69 117.98 116.61 2kk2 s PHE 39 Ca 0.00 -0.19 0.05 0.00 0.12 0.00 0.00 56.93 56.91 2kk2 s PHE 39 Cb 0.00 -0.16 -0.06 0.00 -0.57 0.00 0.00 43.02 42.23 2kk2 s PHE 39 CO 0.00 -0.05 0.02 -1.21 -0.10 0.00 0.00 175.22 173.88 2kk2 s GLU 40 N -0.51 1.99 4.25 0.44 2.02 -0.98 -4.15 118.70 121.76 2kk2 s GLU 40 Ca -0.04 -2.18 0.00 0.00 0.02 0.00 0.00 54.97 52.78 2kk2 s GLU 40 Cb -0.04 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.69 2kk2 s GLU 40 CO -0.00 -0.16 0.00 1.28 0.02 0.00 0.00 175.26 176.39 2kk2 n LEU 41 N -1.02 0.00 -0.15 1.80 4.77 -1.26 -0.67 117.00 120.47 2kk2 n LEU 41 Ca -0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.80 2kk2 n LEU 41 Cb 0.67 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.79 2kk2 n LEU 41 CO 0.45 0.00 0.71 0.74 -1.33 0.00 0.00 177.39 177.96 2kk2 h THR 42 N 0.00 1.27 -0.68 -5.08 2.02 -1.97 -2.95 112.91 105.51 2kk2 h THR 42 Ca 0.00 -1.32 0.14 0.00 0.77 0.00 0.00 66.41 65.99 2kk2 h THR 42 Cb 0.00 1.08 -0.13 0.00 -1.74 0.00 0.00 68.15 67.36 2kk2 h THR 42 CO 0.00 0.46 -0.16 1.23 0.37 0.00 0.00 175.52 177.42 2kk2 h GLY 43 N 0.92 0.51 0.76 2.16 0.00 -1.11 -2.10 103.07 104.20 2kk2 h GLY 43 Ca 0.12 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.69 2kk2 h GLY 43 CO 0.06 -0.26 -0.02 -0.57 0.00 0.00 0.00 176.54 175.75 2kk2 h ASN 44 N 0.01 -0.10 0.02 0.19 -0.73 -0.80 -2.72 115.58 111.46 2kk2 h ASN 44 Ca 0.33 0.04 0.03 0.00 1.87 0.00 0.00 56.30 58.57 2kk2 h ASN 44 Cb 0.51 0.07 -0.04 0.00 0.27 0.00 0.00 38.32 39.13 2kk2 h ASN 44 CO -0.70 -0.03 -0.27 0.74 -0.37 0.00 0.00 177.43 176.80 2kk2 h THR 45 N 0.02 0.40 -0.04 -3.57 2.02 -1.28 -0.27 112.91 110.19 2kk2 h THR 45 Ca 0.06 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.12 2kk2 h THR 45 Cb 0.09 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2kk2 h THR 45 CO -0.13 0.00 -0.55 0.24 0.37 0.00 0.00 175.52 175.45 2kk2 h MET 46 N -0.43 0.11 0.02 6.66 2.86 -1.43 -0.78 114.93 121.95 2kk2 h MET 46 Ca 0.06 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2kk2 h MET 46 Cb 0.50 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2kk2 h MET 46 CO -0.22 0.63 -0.11 0.00 1.06 0.00 0.00 176.91 178.27 2kk2 h LEU 48 N -0.20 0.12 -0.36 0.00 3.38 -0.68 -0.97 115.31 116.59 2kk2 h LEU 48 Ca 0.04 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2kk2 h LEU 48 Cb 0.25 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2kk2 h LEU 48 CO -0.10 0.10 0.13 -0.07 0.09 0.00 0.00 178.44 178.59 2kk2 h LEU 49 N 0.31 0.14 -0.00 1.67 4.07 -0.79 0.80 115.31 121.50 2kk2 h LEU 49 Ca 0.23 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.23 2kk2 h LEU 49 Cb 0.26 0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 2kk2 h LEU 49 CO -0.26 0.12 -0.00 -0.61 -1.08 0.00 0.00 178.44 176.61 2kk2 h GLN 50 N 0.28 0.01 -0.92 1.13 5.75 -0.65 -2.67 115.11 118.04 2kk2 h GLN 50 Ca 0.16 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.67 2kk2 h GLN 50 Cb 0.13 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 2kk2 h GLN 50 CO -0.16 0.43 0.61 0.00 -2.65 0.00 0.00 178.83 177.06 2kk2 h ALA 51 N 0.58 1.35 -0.31 3.38 0.00 -1.16 -2.90 119.26 120.21 2kk2 h ALA 51 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kk2 h ALA 51 Cb 0.42 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kk2 h ALA 51 CO 0.00 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.26 2kk2 n GLY 52 N -1.39 2.29 0.37 0.00 0.00 0.27 -4.68 105.19 102.06 2kk2 n GLY 52 Ca 0.11 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 2kk2 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk2 h ALA 53 N 3.10 -0.93 -0.64 4.61 0.00 -1.26 -3.42 119.26 120.72 2kk2 h ALA 53 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2kk2 h ALA 53 Cb 1.30 0.77 -0.19 0.00 0.00 0.00 0.00 17.79 19.67 2kk2 h ALA 53 CO 0.27 -1.02 -0.27 0.00 0.00 0.00 0.00 179.25 178.24 2kk2 s ALA 54 N -5.23 -3.29 -1.55 0.00 0.00 -1.26 -5.00 121.76 105.44 2kk2 s ALA 54 Ca -0.13 0.86 -0.14 0.00 0.00 0.00 0.00 51.96 52.55 2kk2 s ALA 54 Cb 0.04 -2.81 0.09 0.00 0.00 0.00 0.00 23.12 20.45 2kk2 s ALA 54 CO 0.46 -2.23 0.94 0.41 0.00 0.00 0.00 175.76 175.35 2kk2 n GLY 55 N 4.46 -0.49 0.08 0.00 0.00 -1.26 -4.91 105.19 103.06 2kk2 n GLY 55 Ca 0.08 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 2kk2 n GLY 55 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kk2 h SER 56 N -1.96 -0.17 0.00 1.61 0.02 -1.92 -3.48 113.55 107.64 2kk2 h SER 56 Ca -0.57 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2kk2 h SER 56 Cb 1.37 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.96 2kk2 h SER 56 CO 0.68 -0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.89 2kk2 n GLY 57 N -0.18 0.00 3.78 -3.77 0.00 -1.26 -5.17 105.19 98.59 2kk2 n GLY 57 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.36 7.71 -4.79 0.00 2.03 0.39 -4.89 116.55 115.64 2kk2 n ASP 59 Ca -0.04 -2.67 -0.30 0.00 0.52 0.00 0.00 54.79 52.30 2kk2 n ASP 59 Cb 0.65 -1.48 0.09 0.00 -0.72 0.00 0.00 41.12 39.66 2kk2 n ASP 59 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2kk2 s MET 60 N 1.18 2.11 0.00 -0.67 -1.94 -1.26 -1.88 119.30 116.85 2kk2 s MET 60 Ca 0.66 0.79 0.24 0.00 -1.71 0.00 0.00 55.69 55.67 2kk2 s MET 60 Cb 0.23 -1.91 0.22 0.00 2.01 0.00 0.00 34.83 35.37 2kk2 s MET 60 CO -0.06 -1.64 1.28 0.39 -0.01 0.00 0.00 175.02 174.98