#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kff s PRO 36 N 0.00 2.73 -0.10 1.61 0.02 -1.26 -4.67 135.00 133.34 2kff s PRO 36 Ca 0.00 1.62 -0.07 0.00 0.02 0.00 0.00 61.00 62.57 2kff s PRO 36 Cb 0.00 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.62 2kff s PRO 36 CO 0.00 -1.35 0.14 1.28 -0.33 0.00 0.00 177.00 176.74 2kff n LEU 37 N -2.16 -4.23 0.00 -5.54 4.77 -1.26 -5.11 117.00 103.47 2kff n LEU 37 Ca 0.12 1.26 0.00 0.00 -0.03 0.00 0.00 56.01 57.37 2kff n LEU 37 Cb 0.51 -2.24 0.00 0.00 -2.33 0.00 0.00 43.42 39.36 2kff n LEU 37 CO 0.46 -2.18 0.00 0.61 -1.33 0.00 0.00 177.39 174.95 2kff n GLY 38 N 0.92 5.93 3.18 -0.72 0.00 -1.26 -5.13 105.19 108.12 2kff n GLY 38 Ca -0.23 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 2kff n GLY 38 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kff s SER 39 N 0.78 4.36 0.05 1.61 0.15 -1.26 -5.09 113.70 114.30 2kff s SER 39 Ca 0.00 -0.96 -0.30 0.00 0.70 0.00 0.00 55.95 55.39 2kff s SER 39 Cb 0.00 -1.66 -0.05 0.00 -1.71 0.00 0.00 66.02 62.61 2kff s SER 39 CO 0.00 -0.15 1.09 -1.81 1.20 0.00 0.00 173.24 173.57 2kff s ASP 40 N 1.30 7.24 -0.45 5.45 1.01 -1.26 -4.98 116.67 124.97 2kff s ASP 40 Ca -0.01 1.87 -0.29 0.00 0.71 0.00 0.00 52.55 54.83 2kff s ASP 40 Cb -0.17 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.20 2kff s ASP 40 CO -0.04 -0.33 1.25 -0.62 0.21 0.00 0.00 175.17 175.63 2kff s ASP 41 N 0.84 6.52 0.36 0.27 2.15 -1.26 -4.99 116.67 120.56 2kff s ASP 41 Ca 0.54 0.62 -0.25 0.00 0.43 0.00 0.00 52.55 53.89 2kff s ASP 41 Cb -0.26 -2.55 -0.09 0.00 -0.30 0.00 0.00 42.92 39.72 2kff s ASP 41 CO 0.29 -1.32 1.02 0.54 -0.17 0.00 0.00 175.17 175.53 2kff s VAL 42 N 4.84 3.88 -0.68 1.11 0.11 -1.26 -4.98 120.40 123.42 2kff s VAL 42 Ca 0.53 1.53 -0.25 0.00 -2.93 0.00 0.00 61.98 60.86 2kff s VAL 42 Cb -0.10 -3.83 0.05 0.00 -1.53 0.00 0.00 36.38 30.97 2kff s VAL 42 CO 0.32 0.09 1.11 -1.61 -3.33 0.00 0.00 175.10 171.68 2kff s GLU 43 N -2.22 3.18 -0.81 1.54 2.02 -1.26 -4.97 118.70 116.18 2kff s GLU 43 Ca 0.53 -0.48 -0.26 0.00 0.02 0.00 0.00 54.97 54.79 2kff s GLU 43 Cb -0.22 -4.18 0.02 0.00 0.10 0.00 0.00 34.13 29.85 2kff s GLU 43 CO 0.28 -1.92 1.52 -0.46 0.02 0.00 0.00 175.26 174.69 2kff s TRP 44 N 4.80 2.17 0.47 1.61 -0.00 -1.26 -4.80 118.94 121.93 2kff s TRP 44 Ca 0.29 -0.01 0.24 0.00 -0.00 0.00 0.00 56.10 56.62 2kff s TRP 44 Cb -0.12 -4.47 1.27 0.00 -0.00 0.00 0.00 33.47 30.15 2kff s TRP 44 CO 0.14 -2.05 1.85 0.28 -0.00 0.00 0.00 176.95 177.17 2kff h VAL 45 N 6.55 0.58 0.00 5.86 2.07 -1.93 0.30 116.25 129.67 2kff h VAL 45 Ca -0.10 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2kff h VAL 45 Cb 1.06 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2kff h VAL 45 CO 1.30 0.04 0.00 0.58 0.02 0.00 0.00 177.57 179.51 2kff h VAL 46 N 0.22 0.00 0.00 2.57 2.07 -1.88 -2.32 116.25 116.91 2kff h VAL 46 Ca 0.49 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2kff h VAL 46 Cb 1.52 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2kff h VAL 46 CO -0.12 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.70 2kff h GLY 47 N 2.16 0.00 1.28 2.17 0.00 -0.80 -2.57 103.07 105.30 2kff h GLY 47 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 2kff h GLY 47 CO 0.00 0.00 -1.46 0.07 0.00 0.00 0.00 176.54 175.15 2kff h LYS 48 N 0.00 0.00 -0.63 4.80 2.10 -1.56 -3.29 116.57 117.99 2kff h LYS 48 Ca 0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 2kff h LYS 48 Cb 0.39 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.52 2kff h LYS 48 CO 0.00 0.60 0.19 -0.25 -2.00 0.00 0.00 179.45 177.99 2kff n ASP 49 N -3.11 3.34 -0.02 7.07 8.00 -1.11 -4.71 116.55 126.01 2kff n ASP 49 Ca -0.11 -3.74 -0.16 0.00 0.71 0.00 0.00 54.79 51.49 2kff n ASP 49 Cb 0.99 -0.72 -0.13 0.00 -0.02 0.00 0.00 41.12 41.25 2kff n ASP 49 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2kff h LYS 50 N 1.12 0.17 -0.93 -1.24 3.11 -1.54 -3.00 116.57 114.26 2kff h LYS 50 Ca 0.40 -0.24 0.24 0.00 -2.81 0.00 0.00 60.65 58.24 2kff h LYS 50 Cb 2.00 0.08 -0.06 0.00 -1.00 0.00 0.00 32.23 33.25 2kff h LYS 50 CO 0.73 1.05 0.63 -1.00 -2.81 0.00 0.00 179.45 178.05 2kff h PRO 51 N -0.59 0.23 -0.12 1.90 0.13 -1.85 0.39 132.00 132.08 2kff h PRO 51 Ca -0.06 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.98 2kff h PRO 51 Cb 1.20 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kff h PRO 51 CO 0.07 0.15 -0.24 1.15 -0.23 0.00 0.00 178.00 178.90 2kff h THR 52 N 0.24 1.38 0.00 1.56 2.02 -1.92 -1.50 112.91 114.68 2kff h THR 52 Ca 0.47 -1.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.11 2kff h THR 52 Cb 1.45 2.05 -0.00 0.00 -1.74 0.00 0.00 68.15 69.91 2kff h THR 52 CO -0.12 0.44 -0.17 1.88 0.37 0.00 0.00 175.52 177.92 2kff h TYR 53 N -0.04 0.00 -0.15 3.16 0.05 -1.06 -2.33 116.97 116.60 2kff h TYR 53 Ca 0.01 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 2kff h TYR 53 Cb 0.82 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.56 2kff h TYR 53 CO 0.10 0.17 -0.33 0.22 -1.05 0.00 0.00 178.16 177.27 2kff h ASP 54 N 0.00 0.56 0.20 3.88 1.82 -0.18 -0.37 116.42 122.33 2kff h ASP 54 Ca -0.00 -0.56 0.00 0.00 -0.39 0.00 0.00 57.03 56.08 2kff h ASP 54 Cb 0.74 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.57 2kff h ASP 54 CO 0.02 1.02 -0.21 -0.08 -1.61 0.00 0.00 179.24 178.38 2kff h GLU 55 N 0.13 -0.43 -0.67 0.28 4.57 -1.02 -1.13 114.58 116.30 2kff h GLU 55 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2kff h GLU 55 Cb 0.93 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 2kff h GLU 55 CO 0.07 -0.29 0.42 0.82 -1.18 0.00 0.00 179.01 178.86 2kff h ILE 56 N -0.45 1.18 -0.70 2.32 2.04 -1.43 -0.06 117.51 120.42 2kff h ILE 56 Ca 0.00 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2kff h ILE 56 Cb 0.43 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2kff h ILE 56 CO -0.06 0.18 0.35 0.15 0.00 0.00 0.00 178.15 178.78 2kff h PHE 57 N 0.92 0.99 0.00 1.37 3.57 -0.66 -2.70 116.94 120.43 2kff h PHE 57 Ca 0.24 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 2kff h PHE 57 Cb -0.07 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.35 2kff h PHE 57 CO 0.00 0.72 -0.41 1.88 -2.23 0.00 0.00 178.31 178.28 2kff h TYR 58 N 0.97 0.00 0.00 0.41 -1.99 -0.45 -3.08 116.97 112.83 2kff h TYR 58 Ca 0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.97 2kff h TYR 58 Cb 0.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.82 2kff h TYR 58 CO 0.00 0.30 0.00 0.25 -0.00 0.00 0.00 178.16 178.71 2kff n THR 59 N -3.13 0.46 0.30 -2.88 -2.24 -0.11 -2.59 114.28 104.11 2kff n THR 59 Ca 0.02 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 2kff n THR 59 Cb 0.66 -0.73 0.23 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.62 3.43 -2.48 3.22 4.77 -1.11 -5.01 117.00 118.19 2kff n LEU 60 Ca 0.05 -1.49 -0.05 0.00 -0.03 0.00 0.00 56.01 54.49 2kff n LEU 60 Cb 0.28 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 2kff n LEU 60 CO 0.22 0.75 -0.02 -0.24 -1.33 0.00 0.00 177.39 176.77 2kff n SER 61 N 1.46 -6.41 -4.73 -1.43 2.88 -1.07 -4.91 113.62 99.41 2kff n SER 61 Ca 0.20 0.49 -0.40 0.00 -1.33 0.00 0.00 58.87 57.83 2kff n SER 61 Cb 0.60 -4.25 -0.05 0.00 -0.75 0.00 0.00 64.21 59.76 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 -2.05 4.43 -0.10 -1.46 0.04 -1.26 -4.84 135.00 129.76 2kff s PRO 62 Ca 0.16 0.88 -0.07 0.00 0.04 0.00 0.00 61.00 62.02 2kff s PRO 62 Cb -0.04 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2kff s PRO 62 CO 0.57 0.14 0.15 0.14 0.04 0.00 0.00 177.00 178.04 2kff s VAL 63 N 0.52 5.50 -0.87 -0.36 -7.23 0.71 -4.43 120.40 114.24 2kff s VAL 63 Ca 0.37 0.17 -0.06 0.00 -1.81 0.00 0.00 61.98 60.64 2kff s VAL 63 Cb -0.18 -3.42 0.05 0.00 0.56 0.00 0.00 36.38 33.39 2kff s VAL 63 CO 0.19 0.58 0.23 -0.46 -0.31 0.00 0.00 175.10 175.33 2kff n ASN 64 N 1.84 -2.57 -0.09 4.85 6.94 -1.26 -0.28 115.26 124.69 2kff n ASN 64 Ca -0.19 -0.07 -0.01 0.00 -0.02 0.00 0.00 54.58 54.29 2kff n ASN 64 Cb 0.55 -2.22 -0.01 0.00 -2.36 0.00 0.00 39.78 35.74 2kff n ASN 64 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kff n GLY 65 N -0.85 0.48 3.19 4.83 0.00 -1.26 -5.03 105.19 106.54 2kff n GLY 65 Ca -0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.97 0.80 0.06 1.61 1.02 0.62 -4.11 119.74 117.78 2kff s LYS 66 Ca 0.00 -0.99 0.03 0.00 0.02 0.00 0.00 55.97 55.03 2kff s LYS 66 Cb 0.00 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.59 2kff s LYS 66 CO 0.00 -0.24 0.03 0.96 -0.92 0.00 0.00 175.35 175.18 2kff s ILE 67 N -3.83 4.26 0.81 2.17 -4.36 -0.20 -0.20 121.20 119.85 2kff s ILE 67 Ca 0.05 -0.78 -0.12 0.00 -0.26 0.00 0.00 60.65 59.54 2kff s ILE 67 Cb 0.05 -3.00 0.08 0.00 1.25 0.00 0.00 42.46 40.84 2kff s ILE 67 CO -0.11 0.20 1.12 0.42 0.24 0.00 0.00 174.94 176.82 2kff s THR 68 N -1.27 2.68 0.45 8.37 -4.23 -1.26 -1.15 115.64 119.22 2kff s THR 68 Ca 0.25 0.22 0.16 0.00 -1.18 0.00 0.00 61.69 61.14 2kff s THR 68 Cb -0.12 -3.06 0.35 0.00 1.34 0.00 0.00 72.50 71.01 2kff s THR 68 CO 0.17 -0.29 1.96 1.23 -0.54 0.00 0.00 174.62 177.16 2kff h GLY 69 N -1.11 0.51 0.31 3.99 0.00 -1.92 -2.78 103.07 102.06 2kff h GLY 69 Ca -0.47 -0.14 0.06 0.00 0.00 0.00 0.00 47.33 46.77 2kff h GLY 69 CO 0.62 0.07 -0.17 0.00 0.00 0.00 0.00 176.54 177.05 2kff h ALA 70 N 1.69 -0.03 -0.13 3.60 0.00 -1.92 0.18 119.26 122.65 2kff h ALA 70 Ca 0.30 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 2kff h ALA 70 Cb 0.72 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2kff h ALA 70 CO -0.08 -0.60 -0.12 -0.91 0.00 0.00 0.00 179.25 177.55 2kff h ASN 71 N -0.18 0.32 0.17 0.00 4.21 -1.84 -1.84 115.58 116.42 2kff h ASN 71 Ca 0.13 -0.47 -0.12 0.00 1.21 0.00 0.00 56.30 57.04 2kff h ASN 71 Cb 0.37 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 2kff h ASN 71 CO -0.32 0.73 -0.44 0.00 -1.29 0.00 0.00 177.43 176.11 2kff h ALA 72 N 0.60 0.98 0.67 -0.83 0.00 -1.54 -1.97 119.26 117.18 2kff h ALA 72 Ca 0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2kff h ALA 72 Cb 0.63 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2kff h ALA 72 CO 0.03 0.63 -0.32 -0.22 0.00 0.00 0.00 179.25 179.37 2kff h LYS 73 N 0.28 -0.87 -0.10 0.00 3.64 -0.47 -0.75 116.57 118.30 2kff h LYS 73 Ca 0.02 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2kff h LYS 73 Cb 0.89 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2kff h LYS 73 CO 0.07 -0.56 -0.07 1.57 -2.27 0.00 0.00 179.45 178.19 2kff h LYS 74 N -0.98 0.15 -0.43 1.90 2.10 -1.33 0.30 116.57 118.29 2kff h LYS 74 Ca -0.09 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.50 2kff h LYS 74 Cb 0.71 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.00 2kff h LYS 74 CO 0.15 0.24 0.15 1.49 -2.00 0.00 0.00 179.45 179.48 2kff h GLU 75 N 0.15 0.66 -0.04 0.07 4.57 -1.18 0.65 114.58 119.47 2kff h GLU 75 Ca 0.03 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 58.00 2kff h GLU 75 Cb 0.24 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2kff h GLU 75 CO 0.01 0.63 -0.36 0.52 -1.18 0.00 0.00 179.01 178.64 2kff h MET 76 N 0.56 0.07 -0.17 1.92 2.86 0.01 -0.02 114.93 120.17 2kff h MET 76 Ca 0.14 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.61 2kff h MET 76 Cb 0.23 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2kff h MET 76 CO -0.01 0.42 -0.50 0.28 1.06 0.00 0.00 176.91 178.16 2kff h VAL 77 N 0.06 1.33 0.00 -2.22 2.07 -0.51 -2.18 116.25 114.79 2kff h VAL 77 Ca 0.01 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.79 2kff h VAL 77 Cb 0.67 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2kff h VAL 77 CO 0.05 0.53 0.00 0.29 0.02 0.00 0.00 177.57 178.46 2kff n LYS 78 N -3.97 0.11 0.08 1.57 4.01 0.18 -2.43 118.16 117.71 2kff n LYS 78 Ca -0.02 0.13 0.12 0.00 -0.51 0.00 0.00 58.31 58.03 2kff n LYS 78 Cb 0.57 -1.64 0.46 0.00 -0.51 0.00 0.00 35.03 33.91 2kff n LYS 78 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2kff n SER 79 N -1.84 0.51 -0.36 4.39 7.64 -0.08 -4.90 113.62 118.98 2kff n SER 79 Ca 0.06 0.57 -0.05 0.00 1.01 0.00 0.00 58.87 60.46 2kff n SER 79 Cb 0.35 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 62.83 2kff n SER 79 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kff n LYS 80 N -2.01 -0.55 -3.52 1.43 4.76 -1.02 -5.00 118.16 112.25 2kff n LYS 80 Ca 0.05 0.56 -0.34 0.00 -2.87 0.00 0.00 58.31 55.71 2kff n LYS 80 Cb 0.33 -4.26 -0.05 0.00 -1.84 0.00 0.00 35.03 29.21 2kff n LYS 80 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kff s LEU 81 N -1.07 4.29 0.60 -0.35 1.43 -1.25 -5.06 118.68 117.27 2kff s LEU 81 Ca 0.00 0.83 -0.19 0.00 -1.03 0.00 0.00 54.13 53.74 2kff s LEU 81 Cb 0.00 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 2kff s LEU 81 CO 0.00 0.09 1.07 -0.81 0.23 0.00 0.00 176.35 176.93 2kff n PRO 82 N 0.52 1.05 -0.32 1.29 -0.04 -1.26 -4.79 135.00 131.44 2kff n PRO 82 Ca -0.05 0.40 0.06 0.00 -0.04 0.00 0.00 63.50 63.87 2kff n PRO 82 Cb 0.52 -2.28 0.25 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.65 0.89 -0.27 3.54 -0.73 -1.98 -1.32 115.58 116.36 2kff h ASN 83 Ca -0.49 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 57.69 2kff h ASN 83 Cb 1.35 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.77 2kff h ASN 83 CO 0.52 0.53 0.13 0.74 -0.37 0.00 0.00 177.43 178.99 2kff h THR 84 N 0.99 1.15 -0.34 -3.57 2.02 -1.99 0.20 112.91 111.36 2kff h THR 84 Ca 0.43 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 2kff h THR 84 Cb 0.35 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2kff h THR 84 CO -0.19 0.15 0.10 0.58 0.37 0.00 0.00 175.52 176.52 2kff h VAL 85 N 0.31 1.21 -0.74 3.16 2.07 -1.78 -2.32 116.25 118.17 2kff h VAL 85 Ca 0.09 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.94 2kff h VAL 85 Cb 0.11 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2kff h VAL 85 CO -0.01 0.24 0.47 -0.07 0.02 0.00 0.00 177.57 178.22 2kff h LEU 86 N 0.40 0.78 -0.94 2.57 3.38 -1.04 0.23 115.31 120.68 2kff h LEU 86 Ca 0.11 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.13 2kff h LEU 86 Cb 0.27 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2kff h LEU 86 CO -0.00 0.54 0.60 1.23 0.09 0.00 0.00 178.44 180.90 2kff h GLY 87 N 0.92 1.41 1.34 0.83 0.00 -0.39 0.17 103.07 107.35 2kff h GLY 87 Ca 0.29 -0.45 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 2kff h GLY 87 CO -0.11 0.34 -0.62 0.50 0.00 0.00 0.00 176.54 176.65 2kff h LYS 88 N 1.13 0.67 -0.49 4.80 1.57 -0.79 -1.09 116.57 122.37 2kff h LYS 88 Ca 0.39 -0.47 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2kff h LYS 88 Cb 0.10 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2kff h LYS 88 CO -0.15 1.09 0.20 0.82 -0.57 0.00 0.00 179.45 180.84 2kff h ILE 89 N 0.50 1.21 -0.68 1.86 2.04 -0.40 -1.32 117.51 120.71 2kff h ILE 89 Ca -0.01 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 2kff h ILE 89 Cb 1.21 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 2kff h ILE 89 CO 0.12 0.24 0.23 -0.25 0.00 0.00 0.00 178.15 178.50 2kff h TRP 90 N 0.65 1.07 0.00 1.37 2.91 -0.95 0.12 115.95 121.12 2kff h TRP 90 Ca 0.16 -0.10 -0.02 0.00 1.13 0.00 0.00 58.89 60.07 2kff h TRP 90 Cb 0.18 -0.31 -0.00 0.00 -0.51 0.00 0.00 29.16 28.52 2kff h TRP 90 CO 0.00 0.85 -0.08 -0.22 -1.03 0.00 0.00 178.44 177.96 2kff h LYS 91 N 0.98 0.00 0.04 2.65 3.64 -0.62 -0.55 116.57 122.71 2kff h LYS 91 Ca 0.22 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.33 2kff h LYS 91 Cb 0.27 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2kff h LYS 91 CO -0.01 0.08 -1.50 -0.07 -2.27 0.00 0.00 179.45 175.68 2kff h LEU 92 N 0.00 0.13 -0.47 5.20 3.38 -1.02 -3.41 115.31 119.13 2kff h LEU 92 Ca -0.00 -0.64 -0.06 0.00 0.09 0.00 0.00 57.88 57.27 2kff h LEU 92 Cb 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2kff h LEU 92 CO 0.01 1.61 0.06 0.00 0.09 0.00 0.00 178.44 180.21 2kff h ALA 93 N -0.32 0.62 -1.60 1.53 0.00 -0.59 -3.29 119.26 115.61 2kff h ALA 93 Ca -0.37 -0.24 -0.67 0.00 0.00 0.00 0.00 54.91 53.62 2kff h ALA 93 Cb 1.54 -0.17 -0.15 0.00 0.00 0.00 0.00 17.79 19.00 2kff h ALA 93 CO -0.12 0.37 1.18 0.34 0.00 0.00 0.00 179.25 181.02 2kff s ASP 94 N -6.21 6.67 0.09 0.00 2.15 -0.23 -4.45 116.67 114.69 2kff s ASP 94 Ca -0.13 -2.04 -0.16 0.00 0.43 0.00 0.00 52.55 50.66 2kff s ASP 94 Cb 0.11 -2.46 -0.08 0.00 -0.30 0.00 0.00 42.92 40.19 2kff s ASP 94 CO 0.80 -1.15 1.45 0.58 -0.17 0.00 0.00 175.17 176.68 2kff h VAL 95 N 5.93 1.30 0.00 1.11 2.07 -1.83 -3.14 116.25 121.68 2kff h VAL 95 Ca 0.21 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 2kff h VAL 95 Cb 0.99 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2kff h VAL 95 CO 1.24 0.41 -0.58 -2.24 0.02 0.00 0.00 177.57 176.42 2kff h ASP 96 N 0.37 0.00 -5.31 0.57 2.03 -1.93 -3.49 116.42 108.66 2kff h ASP 96 Ca 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 2kff h ASP 96 Cb 0.70 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.20 2kff h ASP 96 CO 0.05 0.15 -0.19 0.29 -1.03 0.00 0.00 179.24 178.51 2kff n LYS 97 N -2.96 -1.71 0.00 4.15 5.02 -1.19 -4.96 118.16 116.50 2kff n LYS 97 Ca 0.01 1.73 0.00 0.00 -2.02 0.00 0.00 58.31 58.03 2kff n LYS 97 Cb 0.61 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.92 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 -1.20 1.83 0.00 4.39 5.75 -1.26 -4.96 116.55 121.10 2kff n ASP 98 Ca 0.05 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 2kff n ASP 98 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 -0.46 0.75 3.25 6.12 0.00 -1.26 -4.98 105.19 108.62 2kff n GLY 99 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 2.35 -0.21 0.99 1.43 -1.26 -2.89 118.68 119.10 2kff s LEU 100 Ca 0.00 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.33 2kff s LEU 100 Cb 0.00 -0.68 -0.00 0.00 0.03 0.00 0.00 46.19 45.54 2kff s LEU 100 CO 0.00 -0.05 -0.09 -0.76 0.23 0.00 0.00 176.35 175.68 2kff s LEU 101 N -2.18 2.68 1.13 1.79 1.43 -0.30 -4.89 118.68 118.33 2kff s LEU 101 Ca 0.07 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 2kff s LEU 101 Cb -0.08 -1.66 0.25 0.00 0.03 0.00 0.00 46.19 44.73 2kff s LEU 101 CO 0.04 -0.01 1.08 -1.81 0.23 0.00 0.00 176.35 175.88 2kff s ASP 102 N 1.38 1.48 0.50 2.29 1.01 -1.26 -1.03 116.67 121.04 2kff s ASP 102 Ca 0.05 0.96 0.23 0.00 0.71 0.00 0.00 52.55 54.49 2kff s ASP 102 Cb -0.14 -1.45 1.33 0.00 1.01 0.00 0.00 42.92 43.67 2kff s ASP 102 CO -0.06 -3.81 2.07 -2.24 0.21 0.00 0.00 175.17 171.34 2kff h ASP 103 N -2.36 0.00 0.43 0.27 2.03 -1.98 0.21 116.42 115.01 2kff h ASP 103 Ca -0.51 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.77 2kff h ASP 103 Cb 1.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 2kff h ASP 103 CO 0.46 0.12 -0.20 -0.33 -1.03 0.00 0.00 179.24 178.26 2kff h GLU 104 N 0.00 -0.55 -0.27 4.15 5.08 -1.94 -1.70 114.58 119.35 2kff h GLU 104 Ca -0.00 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 2kff h GLU 104 Cb 0.28 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2kff h GLU 104 CO 0.02 -0.25 -0.19 0.93 -1.00 0.00 0.00 179.01 178.52 2kff h GLU 105 N -0.88 0.48 -0.21 2.33 5.08 -1.63 0.16 114.58 119.91 2kff h GLU 105 Ca -0.06 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 2kff h GLU 105 Cb 0.56 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2kff h GLU 105 CO 0.10 0.66 -0.37 0.35 -1.00 0.00 0.00 179.01 178.74 2kff h PHE 106 N 0.44 0.77 -0.88 4.33 3.57 -0.69 -1.50 116.94 122.97 2kff h PHE 106 Ca 0.07 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.29 2kff h PHE 106 Cb 0.59 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 2kff h PHE 106 CO 0.02 1.02 0.52 0.00 -2.23 0.00 0.00 178.31 177.64 2kff h ALA 107 N 0.61 1.26 -0.20 2.41 0.00 -0.71 0.16 119.26 122.79 2kff h ALA 107 Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kff h ALA 107 Cb 0.96 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2kff h ALA 107 CO 0.08 0.63 0.11 1.25 0.00 0.00 0.00 179.25 181.32 2kff h LEU 108 N 1.22 0.24 -0.31 0.00 7.12 -0.63 0.71 115.31 123.65 2kff h LEU 108 Ca 0.31 -0.07 0.02 0.00 0.13 0.00 0.00 57.88 58.27 2kff h LEU 108 Cb -0.04 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.01 2kff h LEU 108 CO -0.06 0.24 0.17 0.00 -0.13 0.00 0.00 178.44 178.66 2kff h ALA 109 N 1.01 0.38 -0.33 1.25 0.00 -0.69 -1.30 119.26 119.58 2kff h ALA 109 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2kff h ALA 109 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2kff h ALA 109 CO -0.01 -0.21 0.01 -0.91 0.00 0.00 0.00 179.25 178.13 2kff h ASN 110 N 0.34 0.48 -0.46 0.00 -0.26 -0.47 0.81 115.58 116.03 2kff h ASN 110 Ca 0.13 -0.09 -0.13 0.00 -0.56 0.00 0.00 56.30 55.65 2kff h ASN 110 Cb 0.02 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 2kff h ASN 110 CO -0.07 0.54 -0.23 -0.74 -1.06 0.00 0.00 177.43 175.87 2kff h HIS 111 N 0.49 1.11 -0.39 1.19 2.76 -0.39 0.29 115.15 120.21 2kff h HIS 111 Ca 0.11 -0.28 -0.12 0.00 -2.20 0.00 0.00 60.37 57.88 2kff h HIS 111 Cb 0.31 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 2kff h HIS 111 CO 0.01 1.10 -0.22 -0.07 -1.30 0.00 0.00 177.93 177.45 2kff h LEU 112 N 0.81 0.87 -0.74 0.26 3.38 -0.71 -1.82 115.31 117.36 2kff h LEU 112 Ca 0.10 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 2kff h LEU 112 Cb 0.81 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2kff h LEU 112 CO 0.07 1.10 -0.01 0.40 0.09 0.00 0.00 178.44 180.09 2kff h ILE 113 N 0.65 1.26 0.19 1.22 2.04 -0.77 -2.02 117.51 120.08 2kff h ILE 113 Ca 0.08 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.84 2kff h ILE 113 Cb 0.78 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2kff h ILE 113 CO 0.06 0.40 -0.19 0.50 0.00 0.00 0.00 178.15 178.92 2kff h LYS 114 N 0.88 -0.40 -0.72 2.37 3.64 -0.18 -0.56 116.57 121.59 2kff h LYS 114 Ca 0.16 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2kff h LYS 114 Cb 0.52 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 2kff h LYS 114 CO 0.03 -0.27 0.30 -0.39 -2.27 0.00 0.00 179.45 176.85 2kff h VAL 115 N -0.42 1.24 -0.95 2.00 -1.51 -1.27 0.48 116.25 115.82 2kff h VAL 115 Ca 0.00 -0.74 0.17 0.00 -1.23 0.00 0.00 66.70 64.90 2kff h VAL 115 Cb 0.39 0.37 -0.10 0.00 -2.13 0.00 0.00 31.29 29.82 2kff h VAL 115 CO -0.05 0.30 0.55 0.11 -1.23 0.00 0.00 177.57 177.25 2kff h LYS 116 N 1.04 0.70 0.00 5.19 1.79 -1.04 0.16 116.57 124.40 2kff h LYS 116 Ca 0.24 -0.04 -0.18 0.00 -2.18 0.00 0.00 60.65 58.49 2kff h LYS 116 Cb 0.18 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 2kff h LYS 116 CO -0.02 0.46 -0.87 -0.07 -1.08 0.00 0.00 179.45 177.87 2kff h LEU 117 N 0.72 0.00 -1.61 2.94 3.38 0.66 -3.15 115.31 118.24 2kff h LEU 117 Ca 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.47 2kff h LEU 117 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2kff h LEU 117 CO -0.38 0.87 -0.17 -0.33 0.09 0.00 0.00 178.44 178.53 2kff h GLU 118 N 0.00 0.00 0.00 1.13 4.39 0.72 -3.46 114.58 117.36 2kff h GLU 118 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2kff h GLU 118 Cb 1.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 2kff h GLU 118 CO 0.11 0.17 0.00 0.41 -1.16 0.00 0.00 179.01 178.54 2kff n GLY 119 N -0.37 1.07 3.77 -3.84 0.00 -0.63 -5.07 105.19 100.13 2kff n GLY 119 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 2.88 -0.16 1.61 3.76 0.48 -5.02 115.29 116.84 2kff s HIS 120 Ca 0.00 -0.24 -0.04 0.00 -0.15 0.00 0.00 55.06 54.63 2kff s HIS 120 Cb 0.00 -1.51 -0.03 0.00 1.11 0.00 0.00 32.58 32.15 2kff s HIS 120 CO 0.00 0.42 -0.03 -1.21 -0.85 0.00 0.00 174.74 173.07 2kff s GLU 121 N -3.85 3.68 0.25 1.40 0.41 -1.26 -3.48 118.70 115.85 2kff s GLU 121 Ca 0.36 -0.51 -0.30 0.00 -0.41 0.00 0.00 54.97 54.11 2kff s GLU 121 Cb -0.06 -2.96 -0.09 0.00 -1.78 0.00 0.00 34.13 29.25 2kff s GLU 121 CO 0.24 0.21 1.00 -0.48 -0.49 0.00 0.00 175.26 175.74 2kff s LEU 122 N 0.46 4.61 0.00 1.80 0.05 -1.26 -4.95 118.68 119.39 2kff s LEU 122 Ca -0.03 2.07 0.26 0.00 0.05 0.00 0.00 54.13 56.48 2kff s LEU 122 Cb -0.14 -3.62 1.38 0.00 -2.05 0.00 0.00 46.19 41.76 2kff s LEU 122 CO 0.03 0.03 1.90 -0.81 -0.55 0.00 0.00 176.35 176.95 2kff n PRO 123 N 1.43 0.48 -1.51 1.48 -0.04 -1.26 -4.85 135.00 130.73 2kff n PRO 123 Ca -0.01 0.03 -0.16 0.00 -0.04 0.00 0.00 63.50 63.31 2kff n PRO 123 Cb 0.46 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.22 -0.26 -2.31 0.55 0.00 -1.26 -4.98 120.51 111.04 2kff n ALA 124 Ca 0.14 0.26 -0.16 0.00 0.00 0.00 0.00 53.44 53.68 2kff n ALA 124 Cb 0.18 -1.73 -0.10 0.00 0.00 0.00 0.00 19.45 17.80 2kff n ALA 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kff s ASP 125 N -2.81 1.86 -0.53 0.00 1.01 -1.26 -5.03 116.67 109.91 2kff s ASP 125 Ca 0.00 -1.14 -0.06 0.00 0.71 0.00 0.00 52.55 52.06 2kff s ASP 125 Cb 0.00 -0.00 0.14 0.00 1.01 0.00 0.00 42.92 44.06 2kff s ASP 125 CO 0.00 -0.44 0.37 -0.76 0.21 0.00 0.00 175.17 174.55 2kff s LEU 126 N -3.26 5.50 0.82 1.23 1.43 -1.26 -5.09 118.68 118.04 2kff s LEU 126 Ca 0.24 -2.32 -0.11 0.00 -1.03 0.00 0.00 54.13 50.91 2kff s LEU 126 Cb 0.04 -1.92 0.09 0.00 0.03 0.00 0.00 46.19 44.43 2kff s LEU 126 CO 0.06 -0.53 1.13 -2.16 0.23 0.00 0.00 176.35 175.07 2kff s PRO 127 N 0.73 1.78 0.00 1.29 0.04 -1.26 -4.82 135.00 132.76 2kff s PRO 127 Ca 0.11 1.39 0.02 0.00 0.04 0.00 0.00 61.00 62.56 2kff s PRO 127 Cb -0.22 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.59 2kff s PRO 127 CO -0.03 -2.03 0.97 -0.35 0.04 0.00 0.00 177.00 175.60 2kff n PRO 128 N -3.66 0.01 -0.20 0.56 -0.04 -1.26 -1.20 135.00 129.21 2kff n PRO 128 Ca 0.11 0.37 0.06 0.00 -0.04 0.00 0.00 63.50 63.99 2kff n PRO 128 Cb 0.52 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.64 2kff n PRO 128 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2kff n HIS 129 N -1.39 0.49 -0.00 0.54 1.44 -1.26 -4.47 115.22 110.57 2kff n HIS 129 Ca 0.01 -0.54 -0.00 0.00 -2.01 0.00 0.00 57.72 55.17 2kff n HIS 129 Cb 0.02 -0.06 -0.01 0.00 0.12 0.00 0.00 29.99 30.06 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 0.35 0.00 -4.64 2.39 4.77 -0.35 -3.51 117.00 116.02 2kff n LEU 130 Ca 0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 2kff n LEU 130 Cb 0.47 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2kff n LEU 130 CO 0.08 0.02 1.67 -0.69 -1.33 0.00 0.00 177.39 177.15 2kff s VAL 131 N -2.06 3.03 0.33 4.08 1.01 -1.17 -4.90 120.40 120.73 2kff s VAL 131 Ca -0.01 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 2kff s VAL 131 Cb 0.01 -3.03 -0.13 0.00 0.00 0.00 0.00 36.38 33.23 2kff s VAL 131 CO 0.05 -0.01 0.84 -2.65 0.00 0.00 0.00 175.10 173.33 2kff n PRO 132 N 7.91 1.00 0.24 2.72 -0.02 -1.26 -4.88 135.00 140.72 2kff n PRO 132 Ca 0.23 0.35 0.07 0.00 -2.02 0.00 0.00 63.50 62.13 2kff n PRO 132 Cb 0.42 -1.70 0.58 0.00 -0.02 0.00 0.00 33.50 32.79 2kff n PRO 132 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2kff h PRO 133 N 1.50 0.00 -0.00 0.52 0.13 -1.92 -1.79 132.00 130.44 2kff h PRO 133 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2kff h PRO 133 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2kff h PRO 133 CO 0.57 0.08 -0.16 0.45 -0.23 0.00 0.00 178.00 178.71 2kff n SER 134 N -4.44 0.37 -0.48 1.44 2.88 -1.26 -3.16 113.62 108.97 2kff n SER 134 Ca -0.03 -0.25 0.11 0.00 -1.33 0.00 0.00 58.87 57.37 2kff n SER 134 Cb 0.16 -0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 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 -1.19 1.16 -4.48 -1.46 4.01 -0.68 -4.86 118.16 110.66 2kff n LYS 135 Ca 0.11 -0.96 -0.34 0.00 -0.51 0.00 0.00 58.31 56.61 2kff n LYS 135 Cb 0.30 -1.48 -0.13 0.00 -0.51 0.00 0.00 35.03 33.22 2kff n LYS 135 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 2kff s ARG 136 N -2.50 3.56 -0.26 1.97 1.70 -1.18 -5.01 118.95 117.23 2kff s ARG 136 Ca 0.18 -0.58 -0.02 0.00 -0.47 0.00 0.00 55.73 54.84 2kff s ARG 136 Cb 0.18 -2.84 0.03 0.00 -0.57 0.00 0.00 34.95 31.75 2kff s ARG 136 CO 0.59 0.19 -0.04 1.03 -1.08 0.00 0.00 175.30 175.99 2kff s ARG 137 N 0.46 2.81 -0.02 3.89 0.52 -1.26 -4.95 118.95 120.40 2kff s ARG 137 Ca -0.05 -1.00 -0.18 0.00 -0.52 0.00 0.00 55.73 53.98 2kff s ARG 137 Cb -0.15 -3.05 -0.05 0.00 0.52 0.00 0.00 34.95 32.21 2kff s ARG 137 CO 0.03 -0.43 0.50 -1.58 0.02 0.00 0.00 175.30 173.84 2kff s HIS 138 N 1.34 3.68 0.00 -0.53 5.65 -1.26 -5.26 115.29 118.91 2kff s HIS 138 Ca -0.00 1.07 0.00 0.00 0.25 0.00 0.00 55.06 56.38 2kff s HIS 138 Cb -0.17 -2.47 0.00 0.00 -1.18 0.00 0.00 32.58 28.76 2kff s HIS 138 CO -0.03 0.44 0.00 -1.91 -0.65 0.00 0.00 174.74 172.59