#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 2.19 0.63 2.98 -0.87 -1.26 -5.04 114.94 113.57 2kk2 s ASN 2 Ca 0.00 -0.49 0.38 0.00 -1.57 0.00 0.00 52.86 51.18 2kk2 s ASN 2 Cb 0.00 -0.17 2.13 0.00 -0.02 0.00 0.00 41.25 43.19 2kk2 s ASN 2 CO 0.00 0.12 2.31 1.55 -2.57 0.00 0.00 177.10 178.51 2kk2 h PRO 3 N 4.94 0.00 0.00 -0.60 0.13 -1.90 -0.61 132.00 133.95 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kk2 h PRO 3 CO 0.44 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.60 2kk2 n GLU 4 N -3.43 0.12 0.30 0.86 1.02 -1.26 -1.56 120.64 116.69 2kk2 n GLU 4 Ca -0.03 0.56 0.19 0.00 -0.02 0.00 0.00 57.16 57.86 2kk2 n GLU 4 Cb 0.08 -1.84 0.92 0.00 -0.02 0.00 0.00 31.44 30.58 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 -3.06 116.42 117.03 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 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2kk2 h ASP 5 CO 0.00 0.02 -0.20 0.47 -2.88 0.00 0.00 179.24 176.65 2kk2 n ASP 6 N -3.16 1.35 -4.74 2.28 8.00 -0.60 -5.04 116.55 114.64 2kk2 n ASP 6 Ca -0.01 -2.57 -0.42 0.00 0.71 0.00 0.00 54.79 52.50 2kk2 n ASP 6 Cb 0.20 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.61 2.90 -0.85 1.24 5.04 -1.12 -1.92 117.35 121.04 2kk2 s TYR 7 Ca 0.18 0.79 0.01 0.00 -2.44 0.00 0.00 57.07 55.60 2kk2 s TYR 7 Cb 0.15 -3.97 0.24 0.00 0.35 0.00 0.00 41.96 38.73 2kk2 s TYR 7 CO 0.02 -3.35 0.86 0.25 -1.34 0.00 0.00 175.55 171.99 2kk2 n THR 8 N 2.71 3.11 0.28 4.34 -2.24 -0.31 -4.93 114.28 117.25 2kk2 n THR 8 Ca 0.09 -5.26 0.13 0.00 -2.27 0.00 0.00 64.05 56.75 2kk2 n THR 8 Cb 0.38 -2.24 0.83 0.00 -2.10 0.00 0.00 70.33 67.20 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 5.38 0.00 0.00 -0.78 0.13 -1.89 -1.22 132.00 133.63 2kk2 h PRO 9 Ca 0.18 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.26 2kk2 h PRO 9 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 2kk2 h PRO 9 CO 0.92 0.02 -0.24 -0.07 -0.23 0.00 0.00 178.00 178.39 2kk2 h LEU 10 N 0.00 0.00 0.00 1.56 3.38 -1.96 -3.03 115.31 115.26 2kk2 h LEU 10 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kk2 h LEU 10 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2kk2 h LEU 10 CO 0.00 0.24 -0.84 0.35 0.09 0.00 0.00 178.44 178.29 2kk2 n THR 11 N -4.17 0.00 -3.25 0.22 -2.24 -0.93 -5.01 114.28 98.90 2kk2 n THR 11 Ca -0.02 -0.25 -0.39 0.00 -2.27 0.00 0.00 64.05 61.12 2kk2 n THR 11 Cb 0.30 0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 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 4.19 0.96 -4.67 0.00 -0.04 -1.26 -4.79 135.00 129.40 2kk2 n PRO 13 Ca -0.05 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.16 2kk2 n PRO 13 Cb 0.51 -1.16 -0.16 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.68 1.51 0.59 0.54 3.76 -1.26 -5.14 115.29 113.62 2kk2 s HIS 14 Ca 0.00 -0.50 -0.17 0.00 -0.15 0.00 0.00 55.06 54.24 2kk2 s HIS 14 Cb 0.00 -1.07 -0.04 0.00 1.11 0.00 0.00 32.58 32.59 2kk2 s HIS 14 CO 0.00 -0.22 1.10 0.95 -0.85 0.00 0.00 174.74 175.72 2kk2 s THR 15 N 0.37 3.40 0.59 1.30 -4.23 -1.26 -4.74 115.64 111.07 2kk2 s THR 15 Ca -0.09 0.74 0.28 0.00 -1.18 0.00 0.00 61.69 61.44 2kk2 s THR 15 Cb -0.13 -3.26 0.36 0.00 1.34 0.00 0.00 72.50 70.81 2kk2 s THR 15 CO 0.03 -0.31 2.08 -0.29 -0.54 0.00 0.00 174.62 175.59 2kk2 h ILE 16 N 0.66 0.48 0.00 2.99 2.10 -1.99 0.49 117.51 122.24 2kk2 h ILE 16 Ca -0.48 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.43 2kk2 h ILE 16 Cb 1.24 0.82 -0.00 0.00 -1.09 0.00 0.00 36.82 37.79 2kk2 h ILE 16 CO 0.56 0.00 -0.11 0.28 -1.08 0.00 0.00 178.15 177.80 2kk2 h SER 17 N 0.00 0.00 -0.67 2.19 0.02 -2.06 -3.18 113.55 109.85 2kk2 h SER 17 Ca 0.10 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.75 2kk2 h SER 17 Cb 0.54 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.70 2kk2 h SER 17 CO -0.00 0.11 -1.09 1.33 -1.14 0.00 0.00 176.83 176.04 2kk2 n VAL 18 N -4.28 1.03 0.01 2.27 0.24 0.08 -4.85 118.33 112.82 2kk2 n VAL 18 Ca -0.03 -2.84 0.07 0.00 -2.04 0.00 0.00 64.34 59.50 2kk2 n VAL 18 Cb 0.19 0.97 0.15 0.00 -1.47 0.00 0.00 33.84 33.68 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 -0.37 0.71 -0.10 3.34 3.14 -0.70 -4.02 118.33 120.33 2kk2 n VAL 19 Ca 0.07 -0.86 -0.16 0.00 -2.96 0.00 0.00 64.34 60.43 2kk2 n VAL 19 Cb 0.82 0.72 -0.06 0.00 -1.06 0.00 0.00 33.84 34.26 2kk2 n VAL 19 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 2kk2 n TRP 20 N 0.73 0.53 -0.16 1.45 -0.00 -1.26 -4.65 117.44 114.07 2kk2 n TRP 20 Ca 0.12 0.23 -0.02 0.00 -0.00 0.00 0.00 57.50 57.83 2kk2 n TRP 20 Cb 0.42 -0.84 0.21 0.00 -0.00 0.00 0.00 31.31 31.10 2kk2 n TRP 20 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 2kk2 h TYR 21 N -1.00 0.89 -0.33 5.87 5.03 -1.93 -1.28 116.97 124.23 2kk2 h TYR 21 Ca -0.24 -0.05 -0.07 0.00 2.58 0.00 0.00 58.73 60.95 2kk2 h TYR 21 Cb 1.07 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 39.06 2kk2 h TYR 21 CO -0.16 0.68 -0.10 1.05 -1.32 0.00 0.00 178.16 178.31 2kk2 h GLU 22 N 0.88 0.55 -0.02 1.82 9.09 -1.84 0.19 114.58 125.25 2kk2 h GLU 22 Ca 0.21 -0.16 0.00 0.00 0.05 0.00 0.00 59.36 59.46 2kk2 h GLU 22 Cb 0.16 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 2kk2 h GLU 22 CO -0.02 0.65 0.00 0.00 0.05 0.00 0.00 179.01 179.69 2kk2 n THR 24 N 0.39 0.00 0.00 0.00 -2.24 -0.49 -3.81 114.28 108.13 2kk2 n THR 24 Ca 0.04 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2kk2 n THR 24 Cb 0.19 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.31 1.69 -3.14 -0.78 4.07 0.44 -4.50 120.64 118.13 2kk2 n GLU 25 Ca 0.00 0.00 -0.45 0.00 -0.06 0.00 0.00 57.16 56.65 2kk2 n GLU 25 Cb 0.03 -0.54 -0.05 0.00 -0.06 0.00 0.00 31.44 30.82 2kk2 n GLU 25 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2kk2 s ASN 26 N -0.90 6.19 0.63 4.31 2.47 0.17 -4.94 114.94 122.87 2kk2 s ASN 26 Ca 0.00 -1.37 0.30 0.00 0.42 0.00 0.00 52.86 52.21 2kk2 s ASN 26 Cb 0.00 -2.29 1.63 0.00 -1.45 0.00 0.00 41.25 39.14 2kk2 s ASN 26 CO 0.00 -1.06 1.96 0.71 -3.72 0.00 0.00 177.10 175.00 2kk2 h THR 27 N 5.91 0.18 0.00 -5.21 1.35 -1.90 -1.38 112.91 111.87 2kk2 h THR 27 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2kk2 h THR 27 Cb 1.09 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2kk2 h THR 27 CO 1.07 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.34 2kk2 n ALA 28 N -2.10 2.00 0.00 6.62 0.00 -1.26 -3.89 120.51 121.87 2kk2 n ALA 28 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2kk2 n ALA 28 Cb 0.44 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2kk2 n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kk2 n ASN 29 N -1.18 0.94 -4.69 0.00 3.02 -0.68 -5.15 115.26 107.52 2kk2 n ASN 29 Ca 0.10 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.27 2kk2 n ASN 29 Cb 0.10 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.33 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 0.98 0.41 0.12 0.00 0.00 -1.25 -2.99 105.19 102.47 2kk2 n GLY 31 Ca 0.13 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 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 0.82 0.00 2.61 2.02 -1.58 -1.75 112.91 115.04 2kk2 h THR 32 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 2kk2 h THR 32 Cb 0.00 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2kk2 h THR 32 CO 0.00 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.52 2kk2 h ALA 33 N 0.65 1.33 0.15 6.16 0.00 -1.94 -0.40 119.26 125.21 2kk2 h ALA 33 Ca -0.01 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.57 2kk2 h ALA 33 Cb 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2kk2 h ALA 33 CO 0.01 0.47 -0.20 0.00 0.00 0.00 0.00 179.25 179.53 2kk2 h ASP 36 N -0.98 0.28 0.30 0.00 5.19 -1.04 0.37 116.42 120.55 2kk2 h ASP 36 Ca -0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2kk2 h ASP 36 Cb 0.80 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.25 2kk2 h ASP 36 CO 0.06 0.18 0.00 -1.20 -3.12 0.00 0.00 179.24 175.17 2kk2 n SER 37 N -4.47 0.00 0.00 6.45 7.64 -0.51 -4.01 113.62 118.72 2kk2 n SER 37 Ca 0.06 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.44 2kk2 n SER 37 Cb 0.28 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.20 -0.29 0.40 0.00 0.08 0.12 -1.16 117.98 116.93 2kk2 s PHE 39 Ca 0.00 0.62 0.06 0.00 0.12 0.00 0.00 56.93 57.73 2kk2 s PHE 39 Cb 0.00 0.12 -0.07 0.00 -0.57 0.00 0.00 43.02 42.50 2kk2 s PHE 39 CO 0.00 -0.29 0.02 -1.21 -0.10 0.00 0.00 175.22 173.64 2kk2 s GLU 40 N -0.58 1.92 5.03 0.44 2.02 -0.81 -3.87 118.70 122.86 2kk2 s GLU 40 Ca -0.07 -2.10 0.00 0.00 0.02 0.00 0.00 54.97 52.82 2kk2 s GLU 40 Cb -0.04 -1.46 0.00 0.00 0.10 0.00 0.00 34.13 32.73 2kk2 s GLU 40 CO 0.02 -0.11 0.00 1.28 0.02 0.00 0.00 175.26 176.47 2kk2 n LEU 41 N -0.94 0.00 0.19 1.80 4.77 -1.26 -0.47 117.00 121.09 2kk2 n LEU 41 Ca -0.06 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.97 2kk2 n LEU 41 Cb 0.67 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 42.15 2kk2 n LEU 41 CO 0.46 0.00 0.73 0.74 -1.33 0.00 0.00 177.39 178.00 2kk2 h THR 42 N 0.00 1.08 -0.17 -5.08 2.02 -1.98 -1.98 112.91 106.80 2kk2 h THR 42 Ca 0.00 -1.30 -0.19 0.00 0.77 0.00 0.00 66.41 65.69 2kk2 h THR 42 Cb 0.00 1.74 0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2kk2 h THR 42 CO 0.00 0.35 -0.65 1.23 0.37 0.00 0.00 175.52 176.82 2kk2 h GLY 43 N 1.38 0.82 0.54 2.16 0.00 -1.18 -1.44 103.07 105.35 2kk2 h GLY 43 Ca -0.00 -1.11 0.04 0.00 0.00 0.00 0.00 47.33 46.26 2kk2 h GLY 43 CO 0.05 0.99 -0.11 -0.57 0.00 0.00 0.00 176.54 176.89 2kk2 h ASN 44 N 0.47 -0.36 -0.04 0.19 -0.73 -0.68 -0.11 115.58 114.31 2kk2 h ASN 44 Ca -0.03 0.07 0.04 0.00 1.87 0.00 0.00 56.30 58.25 2kk2 h ASN 44 Cb 1.28 0.18 -0.06 0.00 0.27 0.00 0.00 38.32 39.99 2kk2 h ASN 44 CO 0.14 -0.15 -0.36 0.74 -0.37 0.00 0.00 177.43 177.42 2kk2 h THR 45 N -0.13 0.23 -0.82 -3.57 2.02 -1.17 0.22 112.91 109.68 2kk2 h THR 45 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 2kk2 h THR 45 Cb 0.26 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 2kk2 h THR 45 CO -0.21 0.00 0.50 0.24 0.37 0.00 0.00 175.52 176.42 2kk2 h MET 46 N -0.49 1.11 0.02 6.66 2.86 -0.88 0.87 114.93 125.08 2kk2 h MET 46 Ca 0.07 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2kk2 h MET 46 Cb 0.60 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 2kk2 h MET 46 CO -0.32 0.78 -0.11 0.00 1.06 0.00 0.00 176.91 178.33 2kk2 h LEU 48 N -0.20 0.14 -1.90 0.00 3.38 -0.55 0.12 115.31 116.29 2kk2 h LEU 48 Ca 0.03 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2kk2 h LEU 48 Cb 0.24 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2kk2 h LEU 48 CO -0.10 0.11 -0.07 0.25 0.09 0.00 0.00 178.44 178.73 2kk2 h LEU 49 N 0.30 0.00 0.00 1.67 5.85 -0.43 -0.14 115.31 122.57 2kk2 h LEU 49 Ca 0.20 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 2kk2 h LEU 49 Cb 0.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2kk2 h LEU 49 CO -0.21 0.07 -0.20 -0.61 -0.34 0.00 0.00 178.44 177.16 2kk2 h GLN 50 N 0.00 0.00 -0.01 1.25 5.75 -0.61 -3.02 115.11 118.47 2kk2 h GLN 50 Ca -0.00 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 2kk2 h GLN 50 Cb 0.13 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 2kk2 h GLN 50 CO 0.01 0.83 -0.20 0.00 -2.65 0.00 0.00 178.83 176.82 2kk2 h ALA 51 N -0.24 -0.25 -1.05 3.38 0.00 -0.43 -2.64 119.26 118.03 2kk2 h ALA 51 Ca -0.05 0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.18 2kk2 h ALA 51 Cb 0.89 0.36 -0.32 0.00 0.00 0.00 0.00 17.79 18.72 2kk2 h ALA 51 CO -0.03 -0.69 0.51 0.41 0.00 0.00 0.00 179.25 179.45 2kk2 n GLY 52 N -1.33 5.82 0.00 0.00 0.00 -0.09 -4.72 105.19 104.86 2kk2 n GLY 52 Ca -0.05 -2.49 0.00 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.67 0.00 -3.53 4.61 0.00 -1.00 -4.82 120.51 115.10 2kk2 n ALA 53 Ca 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.87 2kk2 n ALA 53 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.29 -1.85 0.00 0.00 0.00 -1.26 -5.02 121.76 111.34 2kk2 s ALA 54 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2kk2 s ALA 54 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2kk2 s ALA 54 CO 0.00 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2kk2 n GLY 55 N 0.26 2.22 0.57 0.00 0.00 -1.26 -4.96 105.19 102.03 2kk2 n GLY 55 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 2kk2 n GLY 55 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kk2 n SER 56 N 0.17 0.13 0.00 1.61 2.88 -1.26 -5.11 113.62 112.05 2kk2 n SER 56 Ca 0.00 -1.13 0.00 0.00 -1.33 0.00 0.00 58.87 56.41 2kk2 n SER 56 Cb 0.00 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2kk2 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kk2 n GLY 57 N 3.82 1.19 7.00 0.46 0.00 -1.26 -5.08 105.19 111.32 2kk2 n GLY 57 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.00 0.34 -1.09 0.00 2.15 -1.16 -4.91 116.67 107.99 2kk2 s ASP 59 Ca 0.00 0.60 -0.04 0.00 0.43 0.00 0.00 52.55 53.54 2kk2 s ASP 59 Cb 0.00 0.74 0.30 0.00 -0.30 0.00 0.00 42.92 43.65 2kk2 s ASP 59 CO 0.00 -0.24 1.58 0.23 -0.17 0.00 0.00 175.17 176.57 2kk2 n MET 60 N 5.35 4.55 0.00 4.34 2.81 -1.26 -1.37 117.12 131.55 2kk2 n MET 60 Ca -0.06 -4.47 0.00 0.00 -1.81 0.00 0.00 57.70 51.36 2kk2 n MET 60 Cb 0.50 -2.54 0.00 0.00 -0.71 0.00 0.00 33.22 30.47 2kk2 n MET 60 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57