#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kff h PRO 36 N 0.00 -0.24 0.00 1.61 0.11 -2.08 -3.43 132.00 127.97 2kff h PRO 36 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2kff h PRO 36 Cb 0.00 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.16 2kff h PRO 36 CO 0.00 0.13 -0.10 1.28 -0.21 0.00 0.00 178.00 179.10 2kff n LEU 37 N -5.02 0.34 0.00 2.35 4.77 -1.26 -5.01 117.00 113.17 2kff n LEU 37 Ca -0.09 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2kff n LEU 37 Cb 0.25 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2kff n LEU 37 CO 0.30 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.46 2kff n GLY 38 N 2.61 2.22 0.40 -0.72 0.00 -1.26 -4.70 105.19 103.73 2kff n GLY 38 Ca -0.01 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 2kff n GLY 38 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kff h SER 39 N 0.00 -0.82 -3.38 1.61 0.02 -1.99 -3.38 113.55 105.61 2kff h SER 39 Ca 0.00 0.02 -0.76 0.00 -0.84 0.00 0.00 61.79 60.20 2kff h SER 39 Cb 0.00 0.21 -0.24 0.00 0.14 0.00 0.00 62.40 62.51 2kff h SER 39 CO 0.00 -0.46 0.09 -1.81 -1.14 0.00 0.00 176.83 173.52 2kff s ASP 40 N -4.44 6.53 -0.57 3.07 1.01 -1.26 -4.90 116.67 116.10 2kff s ASP 40 Ca -0.15 -2.24 0.07 0.00 0.71 0.00 0.00 52.55 50.93 2kff s ASP 40 Cb 0.02 -2.24 0.26 0.00 1.01 0.00 0.00 42.92 41.97 2kff s ASP 40 CO 0.46 -0.76 0.72 -0.67 0.21 0.00 0.00 175.17 175.12 2kff n ASP 41 N 4.85 2.96 -4.86 0.27 -0.08 -1.26 -4.82 116.55 113.60 2kff n ASP 41 Ca 0.05 -3.29 -0.35 0.00 -1.51 0.00 0.00 54.79 49.68 2kff n ASP 41 Cb 0.45 -0.65 -0.06 0.00 2.34 0.00 0.00 41.12 43.20 2kff n ASP 41 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2kff s VAL 42 N -2.36 5.08 -0.20 5.18 0.11 -1.26 -5.08 120.40 121.87 2kff s VAL 42 Ca 0.40 0.54 0.01 0.00 -2.93 0.00 0.00 61.98 60.00 2kff s VAL 42 Cb 0.17 -3.66 0.05 0.00 -1.53 0.00 0.00 36.38 31.41 2kff s VAL 42 CO -0.04 0.36 -0.09 -1.83 -3.33 0.00 0.00 175.10 170.17 2kff s GLU 43 N -1.71 1.87 -0.29 1.54 -1.05 -1.26 -5.09 118.70 112.71 2kff s GLU 43 Ca 0.31 -0.84 -0.29 0.00 -0.15 0.00 0.00 54.97 54.00 2kff s GLU 43 Cb -0.15 -2.40 -0.01 0.00 -0.44 0.00 0.00 34.13 31.13 2kff s GLU 43 CO 0.17 -0.47 1.57 -0.46 0.95 0.00 0.00 175.26 177.02 2kff s TRP 44 N 1.42 2.19 0.48 4.83 -0.00 -1.26 -4.87 118.94 121.73 2kff s TRP 44 Ca -0.02 0.63 0.21 0.00 -0.00 0.00 0.00 56.10 56.92 2kff s TRP 44 Cb -0.17 -4.06 1.23 0.00 -0.00 0.00 0.00 33.47 30.47 2kff s TRP 44 CO -0.08 -2.58 1.96 0.28 -0.00 0.00 0.00 176.95 176.53 2kff h VAL 45 N 6.31 0.76 0.00 5.86 2.07 -1.95 0.13 116.25 129.44 2kff h VAL 45 Ca -0.31 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 2kff h VAL 45 Cb 1.14 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2kff h VAL 45 CO 1.03 0.04 -0.15 0.58 0.02 0.00 0.00 177.57 179.08 2kff h VAL 46 N 0.20 0.32 0.00 2.57 2.07 -1.89 -3.09 116.25 116.43 2kff h VAL 46 Ca 0.31 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2kff h VAL 46 Cb 0.95 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2kff h VAL 46 CO -0.06 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.29 2kff n GLY 47 N 0.55 -0.98 0.06 2.17 0.00 0.46 -0.74 105.19 106.72 2kff n GLY 47 Ca 0.02 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.10 2kff n GLY 47 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kff n LYS 48 N -1.51 0.54 -1.85 1.61 2.85 -1.17 -4.30 118.16 114.33 2kff n LYS 48 Ca 0.03 -0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.30 2kff n LYS 48 Cb 0.16 -1.68 0.05 0.00 -0.65 0.00 0.00 35.03 32.92 2kff n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kff n ASP 49 N -2.37 1.49 -0.02 -5.58 2.03 -0.83 -4.89 116.55 106.39 2kff n ASP 49 Ca -0.01 -2.31 -0.16 0.00 0.52 0.00 0.00 54.79 52.83 2kff n ASP 49 Cb 0.53 -0.38 -0.11 0.00 -0.72 0.00 0.00 41.12 40.44 2kff n ASP 49 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2kff h LYS 50 N 1.57 0.29 -0.58 -0.67 3.11 -1.12 -3.23 116.57 115.94 2kff h LYS 50 Ca -0.14 -0.29 0.17 0.00 -2.81 0.00 0.00 60.65 57.58 2kff h LYS 50 Cb 1.59 0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.87 2kff h LYS 50 CO 0.15 0.97 0.59 -1.00 -2.81 0.00 0.00 179.45 177.35 2kff h PRO 51 N -0.28 0.00 0.00 1.90 0.13 -1.90 0.31 132.00 132.16 2kff h PRO 51 Ca -0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.00 2kff h PRO 51 Cb 1.09 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.22 2kff h PRO 51 CO 0.07 0.00 -0.34 1.15 -0.23 0.00 0.00 178.00 178.66 2kff h THR 52 N 0.00 1.53 0.00 1.56 2.02 -1.96 -0.17 112.91 115.89 2kff h THR 52 Ca 0.28 -2.00 -0.03 0.00 0.77 0.00 0.00 66.41 65.42 2kff h THR 52 Cb 1.44 2.76 -0.00 0.00 -1.74 0.00 0.00 68.15 70.61 2kff h THR 52 CO -0.00 0.56 -0.15 1.88 0.37 0.00 0.00 175.52 178.18 2kff h TYR 53 N -0.42 0.00 -0.20 3.16 0.05 -1.31 -1.92 116.97 116.33 2kff h TYR 53 Ca -0.04 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.61 2kff h TYR 53 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2kff h TYR 53 CO 0.18 0.15 -0.37 0.22 -1.05 0.00 0.00 178.16 177.28 2kff h ASP 54 N 0.00 0.67 -0.53 3.88 3.58 -0.42 -0.93 116.42 122.67 2kff h ASP 54 Ca -0.00 -0.54 -0.02 0.00 0.42 0.00 0.00 57.03 56.89 2kff h ASP 54 Cb 0.74 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 2kff h ASP 54 CO 0.02 1.09 0.26 -0.08 -2.88 0.00 0.00 179.24 177.65 2kff h GLU 55 N 0.28 0.76 -0.06 0.28 4.81 -0.63 -1.43 114.58 118.59 2kff h GLU 55 Ca 0.01 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 2kff h GLU 55 Cb 0.97 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2kff h GLU 55 CO 0.08 0.62 -0.19 0.82 -0.73 0.00 0.00 179.01 179.61 2kff h ILE 56 N 0.71 1.17 -0.63 2.32 2.04 -1.33 -2.45 117.51 119.34 2kff h ILE 56 Ca 0.18 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 2kff h ILE 56 Cb 0.11 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2kff h ILE 56 CO -0.02 0.23 0.11 0.15 0.00 0.00 0.00 178.15 178.62 2kff h PHE 57 N 0.09 1.10 0.00 1.37 3.57 -0.15 -2.58 116.94 120.34 2kff h PHE 57 Ca 0.02 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 2kff h PHE 57 Cb 0.40 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2kff h PHE 57 CO 0.00 0.93 -0.22 1.88 -2.23 0.00 0.00 178.31 178.67 2kff h TYR 58 N 0.95 0.00 0.00 0.41 0.05 -0.89 -2.93 116.97 114.56 2kff h TYR 58 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 2kff h TYR 58 Cb 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 2kff h TYR 58 CO 0.03 0.22 0.00 0.25 -1.05 0.00 0.00 178.16 177.61 2kff n THR 59 N -3.33 0.00 0.00 -2.88 -2.24 -0.97 -2.69 114.28 102.17 2kff n THR 59 Ca 0.01 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.88 2kff n THR 59 Cb 0.46 -0.51 0.20 0.00 -2.10 0.00 0.00 70.33 68.38 2kff n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kff n LEU 60 N -1.12 3.20 -2.42 3.22 4.77 -1.11 -5.02 117.00 118.53 2kff n LEU 60 Ca 0.20 -1.72 -0.03 0.00 -0.03 0.00 0.00 56.01 54.42 2kff n LEU 60 Cb 0.16 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2kff n LEU 60 CO 0.20 0.75 -0.12 -0.24 -1.33 0.00 0.00 177.39 176.65 2kff n SER 61 N 1.09 -6.25 -4.60 -1.43 2.88 -1.10 -4.88 113.62 99.34 2kff n SER 61 Ca 0.16 0.64 -0.42 0.00 -1.33 0.00 0.00 58.87 57.92 2kff n SER 61 Cb 0.51 -4.10 -0.04 0.00 -0.75 0.00 0.00 64.21 59.82 2kff n SER 61 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2kff s PRO 62 N -1.75 3.79 0.03 -1.46 0.04 -1.26 -4.83 135.00 129.57 2kff s PRO 62 Ca 0.11 0.46 -0.20 0.00 0.04 0.00 0.00 61.00 61.40 2kff s PRO 62 Cb -0.03 -3.81 -0.06 0.00 0.04 0.00 0.00 34.50 30.64 2kff s PRO 62 CO 0.55 -0.93 0.58 0.14 0.04 0.00 0.00 177.00 177.38 2kff s VAL 63 N 3.36 4.83 -0.64 -0.36 -7.23 0.62 -3.96 120.40 117.02 2kff s VAL 63 Ca 0.36 1.23 0.00 0.00 -1.81 0.00 0.00 61.98 61.75 2kff s VAL 63 Cb -0.12 -3.91 0.00 0.00 0.56 0.00 0.00 36.38 32.90 2kff s VAL 63 CO 0.18 0.48 0.00 -0.46 -0.31 0.00 0.00 175.10 175.00 2kff n ASN 64 N 2.27 -1.99 0.00 4.85 0.23 -1.26 -0.53 115.26 118.82 2kff n ASN 64 Ca -0.09 0.23 0.00 0.00 -0.53 0.00 0.00 54.58 54.19 2kff n ASN 64 Cb 0.51 -1.98 0.00 0.00 -2.08 0.00 0.00 39.78 36.23 2kff n ASN 64 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kff n GLY 65 N -0.32 0.78 3.37 4.83 0.00 -1.25 -5.06 105.19 107.55 2kff n GLY 65 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 2kff n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kff s LYS 66 N -0.71 1.65 0.09 1.61 3.01 0.31 -4.03 119.74 121.67 2kff s LYS 66 Ca 0.00 -1.95 0.09 0.00 -1.01 0.00 0.00 55.97 53.10 2kff s LYS 66 Cb 0.00 -0.23 -0.03 0.00 -1.01 0.00 0.00 37.83 36.55 2kff s LYS 66 CO 0.00 -0.43 -0.23 0.96 0.51 0.00 0.00 175.35 176.16 2kff s ILE 67 N -3.52 1.85 0.92 2.17 -4.36 -0.55 -0.28 121.20 117.42 2kff s ILE 67 Ca 0.34 -1.51 -0.12 0.00 -0.26 0.00 0.00 60.65 59.10 2kff s ILE 67 Cb 0.05 -1.65 0.20 0.00 1.25 0.00 0.00 42.46 42.31 2kff s ILE 67 CO 0.17 0.05 1.26 0.42 0.24 0.00 0.00 174.94 177.08 2kff s THR 68 N -1.04 2.01 0.41 8.37 -4.23 -1.26 -1.81 115.64 118.09 2kff s THR 68 Ca 0.09 -0.17 0.08 0.00 -1.18 0.00 0.00 61.69 60.51 2kff s THR 68 Cb -0.10 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.18 2kff s THR 68 CO 0.04 0.00 2.04 1.23 -0.54 0.00 0.00 174.62 177.39 2kff h GLY 69 N -1.42 0.59 1.01 3.99 0.00 -2.00 -2.83 103.07 102.42 2kff h GLY 69 Ca -0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 2kff h GLY 69 CO 0.35 0.19 0.49 0.00 0.00 0.00 0.00 176.54 177.57 2kff h ALA 70 N 1.73 1.04 0.00 3.60 0.00 -1.98 0.22 119.26 123.87 2kff h ALA 70 Ca 0.18 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2kff h ALA 70 Cb 0.08 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.55 2kff h ALA 70 CO -0.05 0.51 -0.31 -0.91 0.00 0.00 0.00 179.25 178.50 2kff h ASN 71 N 1.12 0.27 0.82 0.00 4.21 -1.84 -1.87 115.58 118.28 2kff h ASN 71 Ca 0.29 -0.78 -0.03 0.00 1.21 0.00 0.00 56.30 56.99 2kff h ASN 71 Cb -0.04 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.08 2kff h ASN 71 CO -0.05 1.02 -0.14 0.00 -1.29 0.00 0.00 177.43 176.96 2kff h ALA 72 N 0.25 1.06 0.26 -0.83 0.00 -1.51 -2.40 119.26 116.10 2kff h ALA 72 Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2kff h ALA 72 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2kff h ALA 72 CO 0.06 0.17 -0.13 -0.22 0.00 0.00 0.00 179.25 179.14 2kff h LYS 73 N 0.00 -0.34 -0.37 0.00 3.64 -0.38 -1.38 116.57 117.75 2kff h LYS 73 Ca -0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2kff h LYS 73 Cb 0.59 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 2kff h LYS 73 CO 0.02 0.00 0.25 1.57 -2.27 0.00 0.00 179.45 179.02 2kff h LYS 74 N -0.76 0.40 0.35 1.90 2.10 -1.24 0.51 116.57 119.82 2kff h LYS 74 Ca -0.04 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 2kff h LYS 74 Cb 0.50 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2kff h LYS 74 CO 0.06 0.27 -0.17 1.49 -2.00 0.00 0.00 179.45 179.10 2kff h GLU 75 N 0.41 -0.45 0.00 0.07 4.57 -1.33 -2.24 114.58 115.61 2kff h GLU 75 Ca 0.15 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 2kff h GLU 75 Cb 0.08 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2kff h GLU 75 CO -0.03 -0.28 -0.14 0.52 -1.18 0.00 0.00 179.01 177.89 2kff h MET 76 N -0.49 0.00 -0.23 1.92 2.86 -0.27 -1.88 114.93 116.84 2kff h MET 76 Ca -0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2kff h MET 76 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2kff h MET 76 CO 0.08 0.14 0.09 0.28 1.06 0.00 0.00 176.91 178.56 2kff h VAL 77 N 0.00 1.17 -0.02 -2.22 2.07 0.33 -3.02 116.25 114.56 2kff h VAL 77 Ca -0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2kff h VAL 77 Cb 0.64 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2kff h VAL 77 CO 0.02 0.17 -0.12 2.29 0.02 0.00 0.00 177.57 179.95 2kff n LYS 78 N -4.81 1.65 0.29 1.57 0.00 -0.87 -3.47 118.16 112.52 2kff n LYS 78 Ca -0.03 -1.18 0.19 0.00 -0.00 0.00 0.00 58.31 57.28 2kff n LYS 78 Cb 0.12 -1.48 0.85 0.00 -0.00 0.00 0.00 35.03 34.53 2kff n LYS 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2kff h SER 79 N 2.89 0.00 -0.35 -5.58 4.64 -1.21 -3.46 113.55 110.47 2kff h SER 79 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2kff h SER 79 Cb 0.69 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 2kff h SER 79 CO 0.00 0.00 -0.10 1.17 -0.87 0.00 0.00 176.83 177.03 2kff n LYS 80 N -3.05 -0.34 -3.43 4.77 3.00 -1.23 -5.04 118.16 112.85 2kff n LYS 80 Ca -0.01 0.53 -0.31 0.00 -0.00 0.00 0.00 58.31 58.53 2kff n LYS 80 Cb 0.23 -4.25 -0.05 0.00 0.00 0.00 0.00 35.03 30.96 2kff n LYS 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kff s LEU 81 N -1.14 4.15 0.60 3.14 1.02 -1.26 -5.06 118.68 120.12 2kff s LEU 81 Ca 0.00 0.80 -0.20 0.00 0.02 0.00 0.00 54.13 54.76 2kff s LEU 81 Cb 0.00 -3.58 -0.03 0.00 0.02 0.00 0.00 46.19 42.60 2kff s LEU 81 CO 0.00 -0.09 1.33 -0.81 0.02 0.00 0.00 176.35 176.80 2kff n PRO 82 N -0.35 1.41 -0.35 1.29 -0.04 -1.26 -4.82 135.00 130.88 2kff n PRO 82 Ca -0.01 0.53 0.06 0.00 -0.04 0.00 0.00 63.50 64.04 2kff n PRO 82 Cb 0.53 -2.56 0.23 0.00 -0.04 0.00 0.00 33.50 31.66 2kff n PRO 82 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2kff h ASN 83 N 0.97 0.94 -0.38 3.54 -0.00 -1.97 -1.32 115.58 117.36 2kff h ASN 83 Ca -0.51 0.03 -0.00 0.00 -0.00 0.00 0.00 56.30 55.81 2kff h ASN 83 Cb 1.32 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 39.46 2kff h ASN 83 CO 0.55 0.55 0.22 0.74 -0.00 0.00 0.00 177.43 179.49 2kff h THR 84 N 1.04 1.13 -0.57 -3.57 2.02 -2.00 -1.53 112.91 109.43 2kff h THR 84 Ca 0.45 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 67.26 2kff h THR 84 Cb 0.35 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2kff h THR 84 CO -0.21 0.13 0.15 0.58 0.37 0.00 0.00 175.52 176.54 2kff h VAL 85 N 0.49 1.25 -0.44 3.16 2.07 -1.68 -1.63 116.25 119.47 2kff h VAL 85 Ca 0.14 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.82 2kff h VAL 85 Cb 0.02 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 2kff h VAL 85 CO -0.02 0.32 0.22 -0.07 0.02 0.00 0.00 177.57 178.03 2kff h LEU 86 N 0.80 0.31 -1.14 2.57 3.38 -1.00 0.20 115.31 120.44 2kff h LEU 86 Ca 0.18 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2kff h LEU 86 Cb 0.33 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2kff h LEU 86 CO 0.00 0.22 -0.06 1.23 0.09 0.00 0.00 178.44 179.92 2kff h GLY 87 N 0.43 0.57 1.05 0.83 0.00 -1.12 -1.64 103.07 103.19 2kff h GLY 87 Ca 0.19 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 2kff h GLY 87 CO -0.14 0.34 -0.40 1.70 0.00 0.00 0.00 176.54 178.05 2kff h LYS 88 N 0.50 0.79 -0.61 4.80 3.64 -0.30 -1.41 116.57 123.98 2kff h LYS 88 Ca 0.10 -0.46 -0.02 0.00 -1.27 0.00 0.00 60.65 59.00 2kff h LYS 88 Cb 0.42 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2kff h LYS 88 CO 0.02 1.09 0.29 0.82 -2.27 0.00 0.00 179.45 179.40 2kff h ILE 89 N 0.55 1.21 -0.94 2.00 2.04 -0.45 -1.81 117.51 120.11 2kff h ILE 89 Ca 0.03 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.31 2kff h ILE 89 Cb 0.99 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 2kff h ILE 89 CO 0.09 0.25 0.62 -0.25 0.00 0.00 0.00 178.15 178.86 2kff h TRP 90 N 0.83 1.17 0.00 1.37 2.91 -1.19 0.17 115.95 121.21 2kff h TRP 90 Ca 0.21 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.24 2kff h TRP 90 Cb 0.12 -0.39 -0.00 0.00 -0.51 0.00 0.00 29.16 28.37 2kff h TRP 90 CO 0.00 0.71 -0.09 -0.22 -1.03 0.00 0.00 178.44 177.81 2kff h LYS 91 N 1.24 0.00 0.04 2.65 3.64 -0.55 -1.92 116.57 121.67 2kff h LYS 91 Ca 0.36 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.42 2kff h LYS 91 Cb -0.08 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 2kff h LYS 91 CO -0.10 0.09 -1.81 1.28 -2.27 0.00 0.00 179.45 176.64 2kff n LEU 92 N -3.85 1.45 -0.04 5.20 4.77 -0.71 -4.54 117.00 119.27 2kff n LEU 92 Ca -0.02 0.34 -0.15 0.00 -0.03 0.00 0.00 56.01 56.15 2kff n LEU 92 Cb 0.19 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 2kff n LEU 92 CO 0.30 0.54 0.43 0.00 -1.33 0.00 0.00 177.39 177.34 2kff h ALA 93 N 0.70 0.25 -0.77 -1.18 0.00 0.06 -3.34 119.26 114.98 2kff h ALA 93 Ca -0.33 -0.47 -0.75 0.00 0.00 0.00 0.00 54.91 53.36 2kff h ALA 93 Cb 2.02 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 19.65 2kff h ALA 93 CO 0.08 0.36 2.22 -3.47 0.00 0.00 0.00 179.25 178.45 2kff n ASP 94 N -4.27 5.32 0.29 0.00 2.03 -0.89 -4.57 116.55 114.45 2kff n ASP 94 Ca -0.07 -3.08 0.17 0.00 0.52 0.00 0.00 54.79 52.33 2kff n ASP 94 Cb 0.55 -1.49 0.82 0.00 -0.72 0.00 0.00 41.12 40.29 2kff n ASP 94 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2kff h VAL 95 N 3.63 0.21 0.00 5.18 2.07 -1.88 -2.16 116.25 123.31 2kff h VAL 95 Ca 0.45 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 2kff h VAL 95 Cb 0.59 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2kff h VAL 95 CO 1.65 0.05 -0.33 -0.78 0.02 0.00 0.00 177.57 178.17 2kff h ASP 96 N 0.00 0.00 -5.62 0.57 3.58 -1.94 -3.48 116.42 109.52 2kff h ASP 96 Ca -0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 2kff h ASP 96 Cb 0.35 0.00 0.17 0.00 1.72 0.00 0.00 39.33 41.57 2kff h ASP 96 CO 0.01 0.33 -0.79 0.29 -2.88 0.00 0.00 179.24 176.20 2kff n LYS 97 N -3.19 -5.80 -0.02 0.28 5.02 -0.81 -4.92 118.16 108.72 2kff n LYS 97 Ca 0.03 0.85 0.01 0.00 -2.02 0.00 0.00 58.31 57.17 2kff n LYS 97 Cb 0.66 -5.85 0.02 0.00 -0.02 0.00 0.00 35.03 29.83 2kff n LYS 97 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2kff n ASP 98 N -3.15 1.89 0.00 4.39 5.75 -1.26 -4.97 116.55 119.20 2kff n ASP 98 Ca -0.25 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 2kff n ASP 98 Cb 0.66 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 2kff n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kff n GLY 99 N -0.24 0.77 3.36 6.12 0.00 -1.26 -4.96 105.19 108.98 2kff n GLY 99 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2kff n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kff s LEU 100 N 0.00 2.46 -0.33 0.99 1.43 -1.26 -4.50 118.68 117.47 2kff s LEU 100 Ca 0.00 -0.89 -0.06 0.00 -1.03 0.00 0.00 54.13 52.16 2kff s LEU 100 Cb 0.00 -0.90 0.04 0.00 0.03 0.00 0.00 46.19 45.35 2kff s LEU 100 CO 0.00 -0.01 0.08 -0.76 0.23 0.00 0.00 176.35 175.90 2kff s LEU 101 N -2.77 4.17 0.97 1.79 1.43 -0.75 -4.90 118.68 118.62 2kff s LEU 101 Ca 0.18 -1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 2kff s LEU 101 Cb -0.06 -1.85 0.17 0.00 0.03 0.00 0.00 46.19 44.49 2kff s LEU 101 CO 0.08 -0.30 1.10 -1.81 0.23 0.00 0.00 176.35 175.65 2kff s ASP 102 N 1.40 2.90 0.53 2.29 1.11 -1.26 -1.49 116.67 122.15 2kff s ASP 102 Ca -0.01 1.17 0.20 0.00 0.18 0.00 0.00 52.55 54.09 2kff s ASP 102 Cb -0.19 -1.82 1.33 0.00 1.07 0.00 0.00 42.92 43.31 2kff s ASP 102 CO 0.02 -2.95 2.09 -2.24 1.18 0.00 0.00 175.17 173.26 2kff h ASP 103 N -1.77 0.00 0.16 0.27 2.03 -1.99 0.83 116.42 115.95 2kff h ASP 103 Ca -0.53 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.76 2kff h ASP 103 Cb 1.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.83 2kff h ASP 103 CO 0.58 0.00 -0.07 -0.33 -1.03 0.00 0.00 179.24 178.39 2kff h GLU 104 N 0.00 -0.20 -0.17 4.15 5.08 -1.94 -1.68 114.58 119.81 2kff h GLU 104 Ca 0.10 0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 2kff h GLU 104 Cb 0.42 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2kff h GLU 104 CO -0.00 0.03 -0.56 0.93 -1.00 0.00 0.00 179.01 178.41 2kff h GLU 105 N -0.41 0.53 -0.22 2.33 5.08 -1.51 -1.73 114.58 118.65 2kff h GLU 105 Ca -0.02 -0.34 -0.15 0.00 -1.00 0.00 0.00 59.36 57.85 2kff h GLU 105 Cb 0.32 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2kff h GLU 105 CO 0.04 0.95 -0.49 0.35 -1.00 0.00 0.00 179.01 178.85 2kff h PHE 106 N 0.41 0.72 -0.53 4.33 3.57 -0.93 -1.46 116.94 123.05 2kff h PHE 106 Ca 0.01 -0.24 -0.05 0.00 3.53 0.00 0.00 57.97 61.22 2kff h PHE 106 Cb 1.10 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2kff h PHE 106 CO 0.04 0.96 0.13 0.00 -2.23 0.00 0.00 178.31 177.21 2kff h ALA 107 N 1.00 1.24 -0.26 2.41 0.00 -1.00 0.98 119.26 123.63 2kff h ALA 107 Ca 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2kff h ALA 107 Cb 1.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2kff h ALA 107 CO 0.09 0.53 0.07 1.25 0.00 0.00 0.00 179.25 181.20 2kff h LEU 108 N 0.78 0.38 -0.43 0.00 7.12 -1.00 -0.77 115.31 121.39 2kff h LEU 108 Ca 0.17 -0.21 -0.00 0.00 0.13 0.00 0.00 57.88 57.96 2kff h LEU 108 Cb 0.28 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.29 2kff h LEU 108 CO -0.00 0.50 0.25 0.00 -0.13 0.00 0.00 178.44 179.06 2kff h ALA 109 N 0.90 0.55 -0.09 1.25 0.00 -0.85 -1.72 119.26 119.30 2kff h ALA 109 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2kff h ALA 109 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kff h ALA 109 CO -0.00 0.05 -0.31 -0.91 0.00 0.00 0.00 179.25 178.07 2kff h ASN 110 N 0.56 0.16 -0.57 0.00 -0.26 -0.71 -0.61 115.58 114.15 2kff h ASN 110 Ca 0.15 -0.05 -0.09 0.00 -0.56 0.00 0.00 56.30 55.75 2kff h ASN 110 Cb 0.01 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 2kff h ASN 110 CO -0.03 0.48 -0.00 -0.74 -1.06 0.00 0.00 177.43 176.07 2kff h HIS 111 N 0.15 1.10 -0.62 1.19 2.76 -0.71 0.27 115.15 119.29 2kff h HIS 111 Ca 0.02 -0.19 -0.09 0.00 -2.20 0.00 0.00 60.37 57.91 2kff h HIS 111 Cb 0.63 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 2kff h HIS 111 CO 0.01 0.99 0.05 -0.07 -1.30 0.00 0.00 177.93 177.60 2kff h LEU 112 N 0.90 1.02 -0.47 0.26 3.38 -0.68 -1.80 115.31 117.92 2kff h LEU 112 Ca 0.16 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 2kff h LEU 112 Cb 0.55 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2kff h LEU 112 CO 0.03 1.04 -0.49 0.40 0.09 0.00 0.00 178.44 179.51 2kff h ILE 113 N 0.97 1.30 -0.34 1.22 2.04 -0.91 -2.23 117.51 119.56 2kff h ILE 113 Ca 0.18 -1.70 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 2kff h ILE 113 Cb 0.50 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 2kff h ILE 113 CO 0.02 0.54 0.14 0.50 0.00 0.00 0.00 178.15 179.35 2kff h LYS 114 N 0.56 0.51 -0.38 2.37 3.64 -0.25 -0.28 116.57 122.74 2kff h LYS 114 Ca 0.03 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2kff h LYS 114 Cb 1.05 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 2kff h LYS 114 CO 0.10 0.50 -0.02 -0.39 -2.27 0.00 0.00 179.45 177.38 2kff h VAL 115 N 0.40 1.22 -0.55 2.00 -1.51 -1.32 0.57 116.25 117.06 2kff h VAL 115 Ca 0.11 -0.89 0.06 0.00 -1.23 0.00 0.00 66.70 64.75 2kff h VAL 115 Cb 0.18 0.95 -0.05 0.00 -2.13 0.00 0.00 31.29 30.24 2kff h VAL 115 CO -0.01 0.31 0.26 0.11 -1.23 0.00 0.00 177.57 177.00 2kff h LYS 116 N 0.57 0.47 -0.21 5.19 1.79 -0.93 0.18 116.57 123.63 2kff h LYS 116 Ca 0.12 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.47 2kff h LYS 116 Cb 0.39 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2kff h LYS 116 CO 0.02 0.31 -0.26 -0.07 -1.08 0.00 0.00 179.45 178.37 2kff h LEU 117 N 0.49 0.41 0.00 2.94 3.38 0.22 -2.02 115.31 120.73 2kff h LEU 117 Ca 0.25 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2kff h LEU 117 Cb 0.21 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kff h LEU 117 CO -0.20 0.67 0.00 -0.62 0.09 0.00 0.00 178.44 178.37 2kff n GLU 118 N -4.12 0.90 -1.72 1.13 1.02 0.07 -4.84 120.64 113.07 2kff n GLU 118 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2kff n GLU 118 Cb 0.40 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 2kff n GLU 118 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kff n GLY 119 N 0.62 0.86 3.58 0.62 0.00 -0.76 -5.05 105.19 105.07 2kff n GLY 119 Ca 0.12 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 2kff n GLY 119 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kff s HIS 120 N -2.38 2.24 0.11 1.61 3.76 0.59 -5.01 115.29 116.22 2kff s HIS 120 Ca 0.00 -0.82 0.07 0.00 -0.15 0.00 0.00 55.06 54.16 2kff s HIS 120 Cb 0.00 -1.58 -0.04 0.00 1.11 0.00 0.00 32.58 32.07 2kff s HIS 120 CO 0.00 0.25 -0.07 -1.21 -0.85 0.00 0.00 174.74 172.87 2kff s GLU 121 N -3.78 2.24 -0.06 1.40 0.41 -1.26 -3.82 118.70 113.82 2kff s GLU 121 Ca 0.31 -1.00 -0.12 0.00 -0.41 0.00 0.00 54.97 53.75 2kff s GLU 121 Cb 0.08 -2.36 -0.05 0.00 -1.78 0.00 0.00 34.13 30.02 2kff s GLU 121 CO 0.15 0.51 0.31 -0.48 -0.49 0.00 0.00 175.26 175.26 2kff s LEU 122 N -2.32 4.41 0.00 1.80 2.34 -1.26 -4.93 118.68 118.72 2kff s LEU 122 Ca 0.23 0.75 0.04 0.00 0.06 0.00 0.00 54.13 55.21 2kff s LEU 122 Cb -0.11 -2.40 0.18 0.00 -0.56 0.00 0.00 46.19 43.29 2kff s LEU 122 CO 0.15 0.31 1.12 -0.81 -1.06 0.00 0.00 176.35 176.06 2kff n PRO 123 N 2.16 0.00 -1.40 1.48 -0.04 -1.26 -4.78 135.00 131.17 2kff n PRO 123 Ca -0.15 0.42 -0.14 0.00 -0.04 0.00 0.00 63.50 63.59 2kff n PRO 123 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2kff n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kff n ALA 124 N -1.49 -0.21 -2.20 0.55 0.00 -1.26 -4.95 120.51 110.95 2kff n ALA 124 Ca 0.01 0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 2kff n ALA 124 Cb 0.05 -1.71 -0.10 0.00 0.00 0.00 0.00 19.45 17.69 2kff n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kff s ASP 125 N -2.61 1.23 -0.65 0.00 2.15 -1.26 -5.01 116.67 110.52 2kff s ASP 125 Ca 0.00 -1.07 -0.05 0.00 0.43 0.00 0.00 52.55 51.86 2kff s ASP 125 Cb 0.00 0.09 0.17 0.00 -0.30 0.00 0.00 42.92 42.88 2kff s ASP 125 CO 0.00 -0.49 0.48 -0.76 -0.17 0.00 0.00 175.17 174.23 2kff s LEU 126 N -3.11 5.47 0.74 -1.34 1.43 -1.26 -5.02 118.68 115.60 2kff s LEU 126 Ca 0.17 -2.80 -0.11 0.00 -1.03 0.00 0.00 54.13 50.36 2kff s LEU 126 Cb 0.05 -1.91 0.04 0.00 0.03 0.00 0.00 46.19 44.40 2kff s LEU 126 CO -0.01 -0.41 1.09 -2.16 0.23 0.00 0.00 176.35 175.09 2kff s PRO 127 N 0.02 2.43 0.00 1.29 0.04 -1.26 -4.76 135.00 132.77 2kff s PRO 127 Ca 0.17 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2kff s PRO 127 Cb -0.19 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2kff s PRO 127 CO -0.04 -1.51 0.87 -2.30 0.04 0.00 0.00 177.00 174.06 2kff n PRO 128 N -3.25 0.00 0.00 0.56 -0.02 -1.26 -0.26 135.00 130.77 2kff n PRO 128 Ca 0.09 0.37 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 2kff n PRO 128 Cb 0.53 -1.52 0.02 0.00 -0.02 0.00 0.00 33.50 32.52 2kff n PRO 128 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2kff n HIS 129 N -1.37 0.00 -0.11 6.00 1.44 -1.26 -4.43 115.22 115.49 2kff n HIS 129 Ca 0.00 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.57 2kff n HIS 129 Cb 0.02 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.00 2kff n HIS 129 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2kff n LEU 130 N 0.25 1.99 -4.68 2.39 7.99 0.64 -3.45 117.00 122.13 2kff n LEU 130 Ca 0.07 -0.09 -0.43 0.00 -0.01 0.00 0.00 56.01 55.56 2kff n LEU 130 Cb 0.31 -0.40 -0.02 0.00 -0.11 0.00 0.00 43.42 43.19 2kff n LEU 130 CO 0.13 0.75 0.87 0.54 -1.51 0.00 0.00 177.39 178.18 2kff s VAL 131 N -2.47 4.59 0.21 4.08 0.11 -0.61 -4.98 120.40 121.33 2kff s VAL 131 Ca -0.24 1.88 -0.31 0.00 -2.93 0.00 0.00 61.98 60.38 2kff s VAL 131 Cb 0.07 -4.21 -0.10 0.00 -1.53 0.00 0.00 36.38 30.61 2kff s VAL 131 CO 0.62 -0.03 1.52 -2.84 -3.33 0.00 0.00 175.10 171.04 2kff s PRO 132 N 2.33 4.22 0.00 1.54 0.02 -1.26 -4.87 135.00 136.98 2kff s PRO 132 Ca 0.50 2.36 0.08 0.00 0.02 0.00 0.00 61.00 63.97 2kff s PRO 132 Cb -0.20 -3.12 0.48 0.00 0.02 0.00 0.00 34.50 31.68 2kff s PRO 132 CO 0.17 -0.54 1.02 -0.35 -0.33 0.00 0.00 177.00 176.97 2kff n PRO 133 N 3.16 0.22 0.04 5.54 -0.04 -1.26 -2.15 135.00 140.51 2kff n PRO 133 Ca 0.11 0.07 0.13 0.00 -0.04 0.00 0.00 63.50 63.77 2kff n PRO 133 Cb 0.39 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.85 2kff n PRO 133 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kff n SER 134 N -1.10 0.32 -0.50 3.54 2.88 -1.26 -2.79 113.62 114.71 2kff n SER 134 Ca 0.06 0.54 0.04 0.00 -1.33 0.00 0.00 58.87 58.18 2kff n SER 134 Cb 0.04 -0.62 0.12 0.00 -0.75 0.00 0.00 64.21 63.00 2kff n SER 134 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kff n LYS 135 N -1.81 2.90 -3.28 -1.46 4.01 -0.92 -4.88 118.16 112.73 2kff n LYS 135 Ca 0.06 -1.94 -0.46 0.00 -0.51 0.00 0.00 58.31 55.46 2kff n LYS 135 Cb 0.34 -1.22 -0.03 0.00 -0.51 0.00 0.00 35.03 33.62 2kff n LYS 135 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2kff s ARG 136 N -1.02 3.47 -0.33 1.97 0.52 -1.12 -5.02 118.95 117.42 2kff s ARG 136 Ca 0.18 -2.21 -0.15 0.00 -0.52 0.00 0.00 55.73 53.03 2kff s ARG 136 Cb 0.10 -4.44 -0.02 0.00 0.52 0.00 0.00 34.95 31.10 2kff s ARG 136 CO 0.12 -1.36 0.38 1.03 0.02 0.00 0.00 175.30 175.50 2kff s ARG 137 N 0.77 3.67 -0.11 3.54 0.52 -1.26 -5.06 118.95 121.01 2kff s ARG 137 Ca 0.16 -0.29 -0.01 0.00 -0.52 0.00 0.00 55.73 55.07 2kff s ARG 137 Cb -0.14 -3.77 -0.03 0.00 0.52 0.00 0.00 34.95 31.53 2kff s ARG 137 CO -0.06 -0.49 -0.06 -1.58 0.02 0.00 0.00 175.30 173.13 2kff s HIS 138 N 2.07 2.97 0.00 -0.53 5.65 -1.26 -5.27 115.29 118.92 2kff s HIS 138 Ca 0.13 -0.19 0.00 0.00 0.25 0.00 0.00 55.06 55.25 2kff s HIS 138 Cb -0.16 -1.84 0.00 0.00 -1.18 0.00 0.00 32.58 29.40 2kff s HIS 138 CO 0.12 0.11 0.27 -0.85 -0.65 0.00 0.00 174.74 173.74