#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kff n PRO 36 N 0.00 0.15 -1.29 1.61 -0.05 -1.26 -4.93 135.00 129.23 2kff n PRO 36 Ca 0.00 0.09 -0.10 0.00 -0.05 0.00 0.00 63.50 63.44 2kff n PRO 36 Cb 0.00 -1.64 -0.04 0.00 -0.05 0.00 0.00 33.50 31.77 2kff n PRO 36 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 2kff n LEU 37 N -1.87 -0.38 -3.11 1.53 4.32 -1.26 -4.89 117.00 111.35 2kff n LEU 37 Ca 0.05 0.25 -0.35 0.00 -0.02 0.00 0.00 56.01 55.94 2kff n LEU 37 Cb 0.39 -2.34 0.01 0.00 -1.62 0.00 0.00 43.42 39.85 2kff n LEU 37 CO 0.31 -0.88 0.94 0.61 -1.22 0.00 0.00 177.39 177.15 2kff n GLY 38 N -0.34 5.85 3.09 -0.72 0.00 -1.26 -4.97 105.19 106.84 2kff n GLY 38 Ca -0.10 -2.64 -0.26 0.00 0.00 0.00 0.00 46.02 43.02 2kff n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kff s SER 39 N -2.17 2.13 -0.40 1.61 1.04 -1.26 -5.10 113.70 109.54 2kff s SER 39 Ca 0.46 -0.36 -0.08 0.00 0.48 0.00 0.00 55.95 56.44 2kff s SER 39 Cb 0.30 -0.86 0.07 0.00 0.10 0.00 0.00 66.02 65.64 2kff s SER 39 CO -0.21 0.09 0.22 -0.62 0.98 0.00 0.00 173.24 173.71 2kff s ASP 40 N 0.40 5.55 -0.01 7.02 2.15 -1.26 -5.06 116.67 125.45 2kff s ASP 40 Ca -0.12 -1.44 0.00 0.00 0.43 0.00 0.00 52.55 51.42 2kff s ASP 40 Cb -0.15 -1.95 0.02 0.00 -0.30 0.00 0.00 42.92 40.54 2kff s ASP 40 CO 0.04 -0.49 0.01 1.51 -0.17 0.00 0.00 175.17 176.08 2kff s ASP 41 N 1.93 0.11 0.05 -0.34 -4.77 -1.26 -5.15 116.67 107.24 2kff s ASP 41 Ca 0.02 0.01 0.01 0.00 -3.30 0.00 0.00 52.55 49.30 2kff s ASP 41 Cb -0.22 -0.06 -0.04 0.00 -1.09 0.00 0.00 42.92 41.50 2kff s ASP 41 CO 0.02 -0.07 0.10 0.54 0.70 0.00 0.00 175.17 176.46 2kff s VAL 42 N 0.66 4.76 -0.17 2.11 0.11 -1.26 -5.11 120.40 121.50 2kff s VAL 42 Ca -0.06 -0.59 -0.07 0.00 -2.93 0.00 0.00 61.98 58.34 2kff s VAL 42 Cb -0.08 -3.26 -0.04 0.00 -1.53 0.00 0.00 36.38 31.46 2kff s VAL 42 CO -0.02 0.20 0.05 -1.83 -3.33 0.00 0.00 175.10 170.17 2kff s GLU 43 N -2.22 3.88 -0.46 1.54 1.03 -1.26 -5.06 118.70 116.15 2kff s GLU 43 Ca 0.28 -0.35 -0.28 0.00 0.03 0.00 0.00 54.97 54.65 2kff s GLU 43 Cb -0.12 -3.16 0.03 0.00 -0.80 0.00 0.00 34.13 30.07 2kff s GLU 43 CO 0.21 0.31 1.08 -0.46 -1.33 0.00 0.00 175.26 175.07 2kff s TRP 44 N 0.24 2.87 0.40 4.83 -0.00 -1.26 -4.79 118.94 121.23 2kff s TRP 44 Ca 0.03 0.66 0.14 0.00 -0.00 0.00 0.00 56.10 56.93 2kff s TRP 44 Cb -0.12 -4.26 0.97 0.00 -0.00 0.00 0.00 33.47 30.06 2kff s TRP 44 CO 0.01 -1.19 1.87 0.28 -0.00 0.00 0.00 176.95 177.92 2kff h VAL 45 N 6.16 0.76 0.00 5.86 2.07 -1.93 0.19 116.25 129.37 2kff h VAL 45 Ca -0.23 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2kff h VAL 45 Cb 1.06 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2kff h VAL 45 CO 1.09 0.09 0.00 0.58 0.02 0.00 0.00 177.57 179.36 2kff h VAL 46 N 0.52 0.00 0.00 2.57 2.07 -1.91 -2.73 116.25 116.76 2kff h VAL 46 Ca 0.44 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2kff h VAL 46 Cb 0.92 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2kff h VAL 46 CO -0.18 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.02 2kff n GLY 47 N 0.27 -0.69 0.08 2.17 0.00 0.68 -0.59 105.19 107.11 2kff n GLY 47 Ca 0.02 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 2kff n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kff h LYS 48 N 0.00 0.04 -0.21 1.61 1.57 -1.63 -3.40 116.57 114.55 2kff h LYS 48 Ca 0.00 -0.07 -0.21 0.00 -1.87 0.00 0.00 60.65 58.51 2kff h LYS 48 Cb 0.04 0.02 -0.38 0.00 0.08 0.00 0.00 32.23 32.00 2kff h LYS 48 CO 0.00 0.74 -1.03 -0.40 -0.57 0.00 0.00 179.45 178.19 2kff n ASP 49 N -3.20 1.12 0.04 0.86 5.75 -0.89 -4.84 116.55 115.38 2kff n ASP 49 Ca -0.12 -2.02 -0.19 0.00 -0.01 0.00 0.00 54.79 52.44 2kff n ASP 49 Cb 1.02 -0.33 -0.12 0.00 -1.03 0.00 0.00 41.12 40.66 2kff n ASP 49 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2kff h LYS 50 N 1.74 0.50 -1.19 0.11 3.11 -1.07 -3.29 116.57 116.48 2kff h LYS 50 Ca -0.21 -0.60 0.35 0.00 -2.81 0.00 0.00 60.65 57.38 2kff h LYS 50 Cb 1.56 0.18 -0.10 0.00 -1.00 0.00 0.00 32.23 32.88 2kff h LYS 50 CO 0.11 1.23 0.79 -1.35 -2.81 0.00 0.00 179.45 177.42 2kff h PRO 51 N 0.04 0.21 -0.17 1.90 0.11 -1.88 0.40 132.00 132.60 2kff h PRO 51 Ca -0.12 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.91 2kff h PRO 51 Cb 1.56 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.63 2kff h PRO 51 CO 0.17 0.14 -0.17 1.15 -0.21 0.00 0.00 178.00 179.07 2kff h THR 52 N 0.21 1.34 0.00 -1.15 2.02 -1.96 -1.48 112.91 111.89 2kff h THR 52 Ca 0.68 -1.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 2kff h THR 52 Cb 2.07 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 70.31 2kff h THR 52 CO -0.28 0.40 -0.17 1.88 0.37 0.00 0.00 175.52 177.72 2kff h TYR 53 N 0.06 0.00 -0.49 3.16 0.05 -1.09 -1.74 116.97 116.92 2kff h TYR 53 Ca 0.03 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.70 2kff h TYR 53 Cb 0.71 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.43 2kff h TYR 53 CO 0.08 0.17 -0.09 0.22 -1.05 0.00 0.00 178.16 177.49 2kff h ASP 54 N 0.00 0.93 -0.17 3.88 1.82 -0.09 0.36 116.42 123.14 2kff h ASP 54 Ca -0.00 -0.35 -0.09 0.00 -0.39 0.00 0.00 57.03 56.19 2kff h ASP 54 Cb 0.74 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.48 2kff h ASP 54 CO 0.02 1.06 -0.19 -0.08 -1.61 0.00 0.00 179.24 178.44 2kff h GLU 55 N 0.78 0.59 -0.09 0.28 4.81 -0.67 -1.41 114.58 118.87 2kff h GLU 55 Ca 0.13 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 2kff h GLU 55 Cb 0.64 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2kff h GLU 55 CO 0.04 0.75 -0.25 0.82 -0.73 0.00 0.00 179.01 179.64 2kff h ILE 56 N 0.53 1.22 -0.08 2.32 1.08 -0.93 -2.37 117.51 119.28 2kff h ILE 56 Ca 0.08 -1.05 -0.10 0.00 -0.39 0.00 0.00 64.86 63.41 2kff h ILE 56 Cb 0.63 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 35.82 2kff h ILE 56 CO 0.04 0.31 -0.32 0.15 -0.69 0.00 0.00 178.15 177.65 2kff h PHE 57 N 0.15 0.49 0.00 1.37 3.57 -0.15 -3.14 116.94 119.23 2kff h PHE 57 Ca 0.02 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.32 2kff h PHE 57 Cb 0.54 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2kff h PHE 57 CO 0.01 0.94 0.00 1.88 -2.23 0.00 0.00 178.31 178.90 2kff h TYR 58 N -0.10 0.00 -0.00 0.41 -1.99 -1.24 -2.76 116.97 111.29 2kff h TYR 58 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2kff h TYR 58 Cb 0.96 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.69 2kff h TYR 58 CO 0.12 0.00 -0.09 0.25 -0.00 0.00 0.00 178.16 178.44 2kff n THR 59 N -3.08 0.00 -0.21 -2.88 -2.24 -0.90 -3.14 114.28 101.84 2kff n THR 59 Ca 0.02 -0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 2kff n THR 59 Cb 0.42 -0.20 0.27 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.06 3.64 -2.52 3.22 4.77 -1.04 -5.01 117.00 118.99 2kff n LEU 60 Ca 0.14 -1.90 -0.04 0.00 -0.03 0.00 0.00 56.01 54.18 2kff n LEU 60 Cb 0.27 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2kff n LEU 60 CO 0.24 0.89 -0.11 -0.24 -1.33 0.00 0.00 177.39 176.84 2kff n SER 61 N 1.38 -6.71 -4.62 -1.43 2.88 -1.19 -4.91 113.62 99.03 2kff n SER 61 Ca 0.21 0.67 -0.42 0.00 -1.33 0.00 0.00 58.87 58.00 2kff n SER 61 Cb 0.57 -4.45 -0.05 0.00 -0.75 0.00 0.00 64.21 59.54 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 -1.93 4.03 -0.09 -1.46 0.04 -1.26 -4.84 135.00 129.49 2kff s PRO 62 Ca 0.13 0.68 -0.14 0.00 0.04 0.00 0.00 61.00 61.70 2kff s PRO 62 Cb -0.04 -3.70 -0.05 0.00 0.04 0.00 0.00 34.50 30.76 2kff s PRO 62 CO 0.61 -0.62 0.35 0.14 0.04 0.00 0.00 177.00 177.52 2kff s VAL 63 N 2.89 5.21 -1.98 -0.36 -7.23 0.15 -4.07 120.40 115.01 2kff s VAL 63 Ca 0.32 0.68 0.00 0.00 -1.81 0.00 0.00 61.98 61.17 2kff s VAL 63 Cb -0.14 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.13 2kff s VAL 63 CO 0.11 0.47 0.00 0.59 -0.31 0.00 0.00 175.10 175.96 2kff n ASN 64 N 2.79 -4.96 0.00 4.85 3.02 -1.26 -1.34 115.26 118.36 2kff n ASN 64 Ca -0.13 0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 2kff n ASN 64 Cb 0.52 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.28 2kff n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kff n GLY 65 N -0.34 0.78 3.29 7.41 0.00 -1.26 -5.04 105.19 110.03 2kff n GLY 65 Ca -0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.64 1.49 0.19 1.61 1.02 -0.45 -4.32 119.74 118.64 2kff s LYS 66 Ca 0.00 -1.83 0.11 0.00 0.02 0.00 0.00 55.97 54.26 2kff s LYS 66 Cb 0.00 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.32 2kff s LYS 66 CO 0.00 -0.45 -0.20 0.96 -0.92 0.00 0.00 175.35 174.74 2kff s ILE 67 N -3.75 2.59 0.73 2.17 -4.36 -0.08 0.32 121.20 118.82 2kff s ILE 67 Ca 0.38 -1.92 -0.11 0.00 -0.26 0.00 0.00 60.65 58.74 2kff s ILE 67 Cb 0.05 -2.25 0.04 0.00 1.25 0.00 0.00 42.46 41.55 2kff s ILE 67 CO 0.17 -0.11 1.10 0.42 0.24 0.00 0.00 174.94 176.77 2kff s THR 68 N -1.66 2.87 0.63 8.37 -4.23 -1.26 -1.46 115.64 118.91 2kff s THR 68 Ca 0.22 0.21 0.36 0.00 -1.18 0.00 0.00 61.69 61.30 2kff s THR 68 Cb -0.08 -3.27 0.39 0.00 1.34 0.00 0.00 72.50 70.88 2kff s THR 68 CO 0.11 -0.34 2.26 1.23 -0.54 0.00 0.00 174.62 177.34 2kff h GLY 69 N -0.76 0.00 0.95 3.99 0.00 -1.90 -2.94 103.07 102.40 2kff h GLY 69 Ca -0.45 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 2kff h GLY 69 CO 0.64 0.00 -0.45 0.00 0.00 0.00 0.00 176.54 176.73 2kff h ALA 70 N 1.90 -1.26 -0.47 3.60 0.00 -1.91 -1.61 119.26 119.51 2kff h ALA 70 Ca 0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2kff h ALA 70 Cb 0.14 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2kff h ALA 70 CO -0.00 -1.17 0.03 -0.91 0.00 0.00 0.00 179.25 177.20 2kff h ASN 71 N -1.33 0.78 -0.32 0.00 4.21 -1.87 -1.51 115.58 115.54 2kff h ASN 71 Ca -0.13 -0.29 -0.07 0.00 1.21 0.00 0.00 56.30 57.02 2kff h ASN 71 Cb 0.97 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.94 2kff h ASN 71 CO 0.21 0.87 -0.03 0.00 -1.29 0.00 0.00 177.43 177.20 2kff h ALA 72 N 0.93 1.16 -0.57 -0.83 0.00 -1.64 -2.33 119.26 115.99 2kff h ALA 72 Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2kff h ALA 72 Cb 0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2kff h ALA 72 CO 0.02 0.54 0.28 -0.22 0.00 0.00 0.00 179.25 179.87 2kff h LYS 73 N 0.65 0.82 0.04 0.00 3.64 -0.62 -0.17 116.57 120.93 2kff h LYS 73 Ca 0.13 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2kff h LYS 73 Cb 0.45 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2kff h LYS 73 CO 0.02 0.66 -0.07 0.87 -2.27 0.00 0.00 179.45 178.67 2kff h LYS 74 N 0.78 -0.14 -0.67 1.90 1.57 -0.97 -0.67 116.57 118.37 2kff h LYS 74 Ca 0.20 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 2kff h LYS 74 Cb 0.11 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 2kff h LYS 74 CO -0.03 -0.09 0.40 1.49 -0.57 0.00 0.00 179.45 180.66 2kff h GLU 75 N -0.14 0.75 0.00 3.15 4.57 -1.12 -1.41 114.58 120.39 2kff h GLU 75 Ca 0.01 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.08 2kff h GLU 75 Cb 0.15 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2kff h GLU 75 CO -0.04 0.50 -0.32 0.52 -1.18 0.00 0.00 179.01 178.49 2kff h MET 76 N 0.78 0.00 0.00 1.92 2.86 -0.69 -1.19 114.93 118.61 2kff h MET 76 Ca 0.28 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.86 2kff h MET 76 Cb 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2kff h MET 76 CO -0.13 0.32 -0.57 -0.39 1.06 0.00 0.00 176.91 177.19 2kff h VAL 77 N 0.00 0.41 0.00 -2.22 -1.51 -0.56 -2.87 116.25 109.50 2kff h VAL 77 Ca -0.00 -1.62 0.00 0.00 -1.23 0.00 0.00 66.70 63.84 2kff h VAL 77 Cb 0.70 2.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.95 2kff h VAL 77 CO 0.04 0.23 0.00 0.29 -1.23 0.00 0.00 177.57 176.90 2kff n LYS 78 N -3.05 0.15 0.00 5.19 4.01 -0.58 -2.75 118.16 121.13 2kff n LYS 78 Ca 0.00 0.19 0.11 0.00 -0.51 0.00 0.00 58.31 58.10 2kff n LYS 78 Cb 0.66 -1.70 0.52 0.00 -0.51 0.00 0.00 35.03 34.00 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 -1.97 0.00 -1.95 4.39 7.64 -0.54 -4.90 113.62 116.29 2kff n SER 79 Ca 0.05 0.24 -0.14 0.00 1.01 0.00 0.00 58.87 60.03 2kff n SER 79 Cb 0.35 -0.40 0.02 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.40 -2.92 -4.41 1.43 4.01 -1.11 -5.02 118.16 108.75 2kff n LYS 80 Ca 0.08 0.59 -0.31 0.00 -0.51 0.00 0.00 58.31 58.16 2kff n LYS 80 Cb 0.22 -4.77 -0.11 0.00 -0.51 0.00 0.00 35.03 29.87 2kff n LYS 80 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2kff s LEU 81 N -4.36 3.01 0.71 -0.35 1.43 -1.26 -5.11 118.68 112.75 2kff s LEU 81 Ca 0.17 -0.30 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 2kff s LEU 81 Cb -0.08 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.40 2kff s LEU 81 CO 0.21 0.24 1.23 -2.16 0.23 0.00 0.00 176.35 176.10 2kff s PRO 82 N -1.73 2.20 0.45 1.29 0.04 -1.26 -4.80 135.00 131.18 2kff s PRO 82 Ca 0.18 1.85 0.11 0.00 0.04 0.00 0.00 61.00 63.17 2kff s PRO 82 Cb -0.11 -1.83 1.01 0.00 0.04 0.00 0.00 34.50 33.61 2kff s PRO 82 CO 0.10 -1.81 2.08 -0.91 0.04 0.00 0.00 177.00 176.49 2kff h ASN 83 N -0.12 0.31 0.04 6.66 4.21 -1.98 -1.03 115.58 123.66 2kff h ASN 83 Ca -0.48 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.02 2kff h ASN 83 Cb 1.31 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 2kff h ASN 83 CO 0.50 0.22 -0.02 0.71 -1.29 0.00 0.00 177.43 177.56 2kff h THR 84 N 0.37 1.13 -0.57 2.81 1.35 -1.99 0.30 112.91 116.32 2kff h THR 84 Ca 0.12 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2kff h THR 84 Cb 0.02 1.49 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 2kff h THR 84 CO -0.03 0.14 0.37 0.58 -0.25 0.00 0.00 175.52 176.33 2kff h VAL 85 N -0.29 1.15 -0.68 6.82 2.07 -1.80 -1.77 116.25 121.76 2kff h VAL 85 Ca -0.01 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 2kff h VAL 85 Cb 0.26 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2kff h VAL 85 CO 0.01 0.15 0.20 -0.07 0.02 0.00 0.00 177.57 177.88 2kff h LEU 86 N 0.77 0.97 -0.70 2.57 3.38 -1.09 -1.22 115.31 120.00 2kff h LEU 86 Ca 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kff h LEU 86 Cb -0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 2kff h LEU 86 CO -0.04 0.91 0.42 1.23 0.09 0.00 0.00 178.44 181.05 2kff h GLY 87 N 1.07 1.01 0.96 0.83 0.00 0.13 -1.41 103.07 105.66 2kff h GLY 87 Ca 0.22 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 2kff h GLY 87 CO -0.01 0.41 -0.15 0.50 0.00 0.00 0.00 176.54 177.29 2kff h LYS 88 N 0.95 0.72 -0.03 4.80 1.57 -1.02 -0.82 116.57 122.74 2kff h LYS 88 Ca 0.25 -0.31 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2kff h LYS 88 Cb -0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2kff h LYS 88 CO -0.05 0.91 -0.15 0.82 -0.57 0.00 0.00 179.45 180.41 2kff h ILE 89 N 0.50 0.62 -0.03 1.86 2.04 -0.99 -0.97 117.51 120.53 2kff h ILE 89 Ca 0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 2kff h ILE 89 Cb 0.68 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2kff h ILE 89 CO 0.05 0.00 0.01 -0.25 0.00 0.00 0.00 178.15 177.96 2kff h TRP 90 N -0.24 0.05 -0.13 1.37 2.91 -1.24 0.13 115.95 118.81 2kff h TRP 90 Ca 0.06 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.09 2kff h TRP 90 Cb 0.32 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.95 2kff h TRP 90 CO -0.22 0.18 0.09 -0.22 -1.03 0.00 0.00 178.44 177.23 2kff h LYS 91 N -0.09 0.12 0.09 2.65 3.64 -0.95 -1.61 116.57 120.42 2kff h LYS 91 Ca 0.01 -0.01 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 2kff h LYS 91 Cb 0.15 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2kff h LYS 91 CO -0.00 0.08 -2.06 1.47 -2.27 0.00 0.00 179.45 176.67 2kff n LEU 92 N -4.52 2.64 -0.02 5.20 -0.00 -0.38 -4.42 117.00 115.50 2kff n LEU 92 Ca -0.01 0.16 -0.08 0.00 -0.00 0.00 0.00 56.01 56.08 2kff n LEU 92 Cb 0.12 -1.06 0.09 0.00 -0.00 0.00 0.00 43.42 42.57 2kff n LEU 92 CO 0.34 0.82 0.59 0.00 -0.00 0.00 0.00 177.39 179.15 2kff h ALA 93 N -0.01 0.82 -1.19 1.47 0.00 -0.50 -3.39 119.26 116.47 2kff h ALA 93 Ca -0.46 -0.44 -0.48 0.00 0.00 0.00 0.00 54.91 53.53 2kff h ALA 93 Cb 1.94 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.56 2kff h ALA 93 CO 0.02 0.65 1.15 0.34 0.00 0.00 0.00 179.25 181.41 2kff s ASP 94 N -6.85 5.69 0.03 0.00 2.15 -0.63 -4.73 116.67 112.33 2kff s ASP 94 Ca -0.08 -0.46 -0.16 0.00 0.43 0.00 0.00 52.55 52.29 2kff s ASP 94 Cb 0.12 -2.55 -0.35 0.00 -0.30 0.00 0.00 42.92 39.84 2kff s ASP 94 CO 0.83 -2.18 1.01 0.58 -0.17 0.00 0.00 175.17 175.25 2kff h VAL 95 N 6.76 1.28 0.00 1.11 2.07 -1.90 -3.13 116.25 122.45 2kff h VAL 95 Ca -0.08 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.76 2kff h VAL 95 Cb 1.07 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.84 2kff h VAL 95 CO 1.27 0.80 -0.05 -0.90 0.02 0.00 0.00 177.57 178.72 2kff n ASP 96 N -3.72 0.67 -3.30 0.57 5.75 -1.26 -4.97 116.55 110.28 2kff n ASP 96 Ca -0.16 0.52 -0.14 0.00 -0.01 0.00 0.00 54.79 55.00 2kff n ASP 96 Cb 1.09 -0.67 0.01 0.00 -1.03 0.00 0.00 41.12 40.52 2kff n ASP 96 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2kff n LYS 97 N -2.12 -1.64 0.00 0.11 5.02 -1.19 -4.94 118.16 113.40 2kff n LYS 97 Ca 0.06 1.37 0.00 0.00 -2.02 0.00 0.00 58.31 57.72 2kff n LYS 97 Cb 0.41 -4.24 0.00 0.00 -0.02 0.00 0.00 35.03 31.18 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 -1.59 1.11 -0.06 4.39 5.75 -1.26 -4.97 116.55 119.93 2kff n ASP 98 Ca -0.09 -1.53 -0.01 0.00 -0.01 0.00 0.00 54.79 53.15 2kff n ASP 98 Cb 0.58 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.66 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 -0.27 0.35 3.17 6.12 0.00 -1.26 -4.98 105.19 108.33 2kff n GLY 99 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.18 2.45 -0.18 0.99 1.43 -1.26 -2.76 118.68 119.18 2kff s LEU 100 Ca 0.00 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.21 2kff s LEU 100 Cb 0.00 -0.20 0.03 0.00 0.03 0.00 0.00 46.19 46.05 2kff s LEU 100 CO 0.00 -0.35 -0.17 -0.76 0.23 0.00 0.00 176.35 175.30 2kff s LEU 101 N -2.72 2.10 0.00 1.79 1.43 -0.53 -4.87 118.68 115.88 2kff s LEU 101 Ca 0.08 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.36 2kff s LEU 101 Cb 0.01 -1.37 0.21 0.00 0.03 0.00 0.00 46.19 45.06 2kff s LEU 101 CO -0.02 -0.04 0.94 -0.90 0.23 0.00 0.00 176.35 176.56 2kff n ASP 102 N 4.66 -0.94 0.23 2.29 5.68 -1.26 -0.91 116.55 126.31 2kff n ASP 102 Ca -0.19 -1.19 0.08 0.00 -0.50 0.00 0.00 54.79 53.00 2kff n ASP 102 Cb 0.49 -0.79 0.56 0.00 -1.14 0.00 0.00 41.12 40.24 2kff n ASP 102 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2kff h ASP 103 N -1.88 0.00 -0.00 -1.12 2.03 -1.99 0.11 116.42 113.57 2kff h ASP 103 Ca -0.33 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.90 2kff h ASP 103 Cb 0.95 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.46 2kff h ASP 103 CO 0.22 0.21 -0.28 -0.33 -1.03 0.00 0.00 179.24 178.04 2kff h GLU 104 N 0.00 0.19 -0.47 4.15 5.08 -1.96 -1.84 114.58 119.73 2kff h GLU 104 Ca -0.00 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 2kff h GLU 104 Cb 0.47 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2kff h GLU 104 CO 0.03 0.94 -0.08 0.93 -1.00 0.00 0.00 179.01 179.83 2kff h GLU 105 N -0.47 0.83 -0.30 2.33 5.08 -1.76 0.94 114.58 121.23 2kff h GLU 105 Ca -0.03 -0.27 -0.16 0.00 -1.00 0.00 0.00 59.36 57.89 2kff h GLU 105 Cb 1.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2kff h GLU 105 CO 0.06 0.89 -0.46 0.35 -1.00 0.00 0.00 179.01 178.85 2kff h PHE 106 N 0.76 0.97 -0.75 4.33 3.57 -0.89 -1.49 116.94 123.44 2kff h PHE 106 Ca 0.13 -0.31 -0.04 0.00 3.53 0.00 0.00 57.97 61.28 2kff h PHE 106 Cb 0.57 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2kff h PHE 106 CO 0.03 1.10 0.32 0.00 -2.23 0.00 0.00 178.31 177.53 2kff h ALA 107 N 0.85 0.97 -0.04 2.41 0.00 -0.91 -1.09 119.26 121.44 2kff h ALA 107 Ca 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kff h ALA 107 Cb 1.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2kff h ALA 107 CO 0.10 0.58 0.00 1.25 0.00 0.00 0.00 179.25 181.18 2kff h LEU 108 N 1.07 -0.01 -0.46 0.00 7.12 -0.64 0.25 115.31 122.64 2kff h LEU 108 Ca 0.25 0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.33 2kff h LEU 108 Cb 0.18 0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.28 2kff h LEU 108 CO -0.02 -0.00 0.16 0.00 -0.13 0.00 0.00 178.44 178.44 2kff h ALA 109 N 1.04 0.55 -0.49 1.25 0.00 -0.99 -0.36 119.26 120.26 2kff h ALA 109 Ca 0.02 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2kff h ALA 109 Cb 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2kff h ALA 109 CO -0.03 -0.23 -0.10 -0.91 0.00 0.00 0.00 179.25 177.98 2kff h ASN 110 N 0.33 0.89 -0.00 0.00 2.35 -0.96 -1.05 115.58 117.14 2kff h ASN 110 Ca 0.22 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 2kff h ASN 110 Cb 0.22 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2kff h ASN 110 CO -0.23 1.01 -0.15 -0.74 -1.65 0.00 0.00 177.43 175.67 2kff h HIS 111 N 0.81 0.31 -0.28 1.19 2.76 -0.42 -0.11 115.15 119.41 2kff h HIS 111 Ca 0.13 -0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.17 2kff h HIS 111 Cb 0.62 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 2kff h HIS 111 CO 0.04 0.44 -0.22 -0.07 -1.30 0.00 0.00 177.93 176.81 2kff h LEU 112 N 0.28 0.53 -0.27 0.26 3.38 -0.41 -1.23 115.31 117.85 2kff h LEU 112 Ca 0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2kff h LEU 112 Cb 0.43 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2kff h LEU 112 CO 0.03 0.75 0.15 0.40 0.09 0.00 0.00 178.44 179.87 2kff h ILE 113 N 0.47 1.11 -0.62 1.22 1.08 0.08 -2.53 117.51 118.32 2kff h ILE 113 Ca 0.07 -0.28 0.02 0.00 -0.39 0.00 0.00 64.86 64.28 2kff h ILE 113 Cb 0.65 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 35.17 2kff h ILE 113 CO 0.05 0.11 0.39 0.50 -0.69 0.00 0.00 178.15 178.51 2kff h LYS 114 N 0.33 0.75 -0.63 2.37 3.64 -0.64 -1.42 116.57 120.96 2kff h LYS 114 Ca 0.10 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 2kff h LYS 114 Cb 0.04 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 2kff h LYS 114 CO -0.02 0.50 0.13 -0.39 -2.27 0.00 0.00 179.45 177.40 2kff h VAL 115 N 0.78 1.25 -0.49 2.00 -1.51 -1.13 0.47 116.25 117.62 2kff h VAL 115 Ca 0.24 -0.95 0.09 0.00 -1.23 0.00 0.00 66.70 64.85 2kff h VAL 115 Cb -0.01 0.63 -0.08 0.00 -2.13 0.00 0.00 31.29 29.69 2kff h VAL 115 CO -0.09 0.36 0.01 0.11 -1.23 0.00 0.00 177.57 176.73 2kff h LYS 116 N 0.96 0.12 0.00 5.19 6.56 -1.01 0.51 116.57 128.90 2kff h LYS 116 Ca 0.20 -0.01 -0.08 0.00 -1.06 0.00 0.00 60.65 59.70 2kff h LYS 116 Cb 0.38 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.00 2kff h LYS 116 CO 0.01 0.08 -0.39 -0.07 -2.06 0.00 0.00 179.45 177.01 2kff h LEU 117 N 0.12 0.00 -1.36 2.94 3.38 -0.07 -2.07 115.31 118.25 2kff h LEU 117 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2kff h LEU 117 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kff h LEU 117 CO -0.41 0.39 -0.00 -0.33 0.09 0.00 0.00 178.44 178.19 2kff h GLU 118 N 0.00 0.00 0.00 1.13 4.39 0.35 -3.46 114.58 116.99 2kff h GLU 118 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kff h GLU 118 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2kff h GLU 118 CO 0.05 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.31 2kff n GLY 119 N 0.11 1.32 3.47 -3.84 0.00 -0.78 -5.07 105.19 100.40 2kff n GLY 119 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 2.33 -0.15 1.61 3.76 0.13 -5.03 115.29 115.94 2kff s HIS 120 Ca 0.00 -0.33 -0.03 0.00 -0.15 0.00 0.00 55.06 54.56 2kff s HIS 120 Cb 0.00 -1.05 -0.03 0.00 1.11 0.00 0.00 32.58 32.62 2kff s HIS 120 CO 0.00 0.66 -0.05 -1.83 -0.85 0.00 0.00 174.74 172.67 2kff s GLU 121 N -3.32 3.57 0.47 1.40 1.03 -1.26 -3.27 118.70 117.32 2kff s GLU 121 Ca 0.28 -0.55 -0.23 0.00 0.03 0.00 0.00 54.97 54.51 2kff s GLU 121 Cb -0.06 -2.85 -0.07 0.00 -0.80 0.00 0.00 34.13 30.35 2kff s GLU 121 CO 0.14 0.27 1.18 -0.48 -1.33 0.00 0.00 175.26 175.04 2kff s LEU 122 N 0.28 3.99 0.00 1.83 0.05 -1.26 -4.93 118.68 118.63 2kff s LEU 122 Ca -0.04 2.35 0.27 0.00 0.05 0.00 0.00 54.13 56.75 2kff s LEU 122 Cb -0.14 -4.26 1.57 0.00 -2.05 0.00 0.00 46.19 41.31 2kff s LEU 122 CO 0.03 -0.99 2.01 -0.81 -0.55 0.00 0.00 176.35 176.04 2kff n PRO 123 N -0.57 1.02 -1.46 1.48 -0.05 -1.26 -4.85 135.00 129.31 2kff n PRO 123 Ca 0.08 -0.02 -0.16 0.00 -0.05 0.00 0.00 63.50 63.35 2kff n PRO 123 Cb 0.48 -1.42 -0.07 0.00 -0.05 0.00 0.00 33.50 32.44 2kff n PRO 123 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2kff n ALA 124 N -0.89 -0.24 -2.33 0.55 0.00 -1.26 -4.97 120.51 111.37 2kff n ALA 124 Ca 0.20 0.25 -0.17 0.00 0.00 0.00 0.00 53.44 53.73 2kff n ALA 124 Cb 0.10 -1.70 -0.10 0.00 0.00 0.00 0.00 19.45 17.75 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 -2.80 1.30 -0.62 0.00 2.15 -1.26 -4.82 116.67 110.62 2kff s ASP 125 Ca 0.00 -1.37 -0.03 0.00 0.43 0.00 0.00 52.55 51.57 2kff s ASP 125 Cb 0.00 0.14 0.16 0.00 -0.30 0.00 0.00 42.92 42.92 2kff s ASP 125 CO 0.00 -0.71 0.44 -0.76 -0.17 0.00 0.00 175.17 173.96 2kff s LEU 126 N -3.32 5.30 0.71 -1.34 1.43 -1.26 -5.04 118.68 115.16 2kff s LEU 126 Ca 0.37 -2.78 -0.15 0.00 -1.03 0.00 0.00 54.13 50.54 2kff s LEU 126 Cb 0.08 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.46 2kff s LEU 126 CO 0.13 -0.39 1.18 -2.16 0.23 0.00 0.00 176.35 175.34 2kff s PRO 127 N 0.04 2.32 0.31 1.29 0.04 -1.26 -4.83 135.00 132.91 2kff s PRO 127 Ca 0.16 1.65 0.07 0.00 0.04 0.00 0.00 61.00 62.92 2kff s PRO 127 Cb -0.20 -1.87 0.77 0.00 0.04 0.00 0.00 34.50 33.25 2kff s PRO 127 CO -0.04 -1.67 1.76 -1.00 0.04 0.00 0.00 177.00 176.09 2kff h PRO 128 N -0.21 0.67 0.00 0.56 0.13 -1.98 0.12 132.00 131.29 2kff h PRO 128 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kff h PRO 128 Cb 1.28 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2kff h PRO 128 CO 0.51 0.44 0.00 -2.39 -0.23 0.00 0.00 178.00 176.33 2kff n HIS 129 N -4.82 0.00 -0.32 1.56 1.44 -1.26 -2.57 115.22 109.25 2kff n HIS 129 Ca 0.24 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.95 2kff n HIS 129 Cb 0.62 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.73 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 -0.62 1.07 -4.62 2.39 4.77 0.42 -2.72 117.00 117.69 2kff n LEU 130 Ca 0.05 -1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 54.55 2kff n LEU 130 Cb 0.02 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 2kff n LEU 130 CO 0.04 0.27 0.54 -0.69 -1.33 0.00 0.00 177.39 176.22 2kff s VAL 131 N -0.38 4.86 -0.00 4.08 1.01 -1.06 -4.90 120.40 123.99 2kff s VAL 131 Ca 0.00 1.21 -0.35 0.00 0.00 0.00 0.00 61.98 62.84 2kff s VAL 131 Cb 0.00 -4.08 -0.13 0.00 0.00 0.00 0.00 36.38 32.16 2kff s VAL 131 CO 0.00 -0.15 1.71 -2.65 0.00 0.00 0.00 175.10 174.01 2kff n PRO 132 N 6.03 1.96 0.30 2.72 -0.02 -1.26 -4.88 135.00 139.85 2kff n PRO 132 Ca 0.03 0.71 0.17 0.00 -2.02 0.00 0.00 63.50 62.39 2kff n PRO 132 Cb 0.48 -2.50 0.93 0.00 -0.02 0.00 0.00 33.50 32.40 2kff n PRO 132 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2kff h PRO 133 N 7.39 0.00 0.00 0.52 0.11 -1.98 -0.93 132.00 137.11 2kff h PRO 133 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kff h PRO 133 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2kff h PRO 133 CO 0.91 0.04 0.00 0.77 -0.21 0.00 0.00 178.00 179.51 2kff h SER 134 N 0.00 0.00 -0.78 -2.05 0.02 -2.04 -2.22 113.55 106.49 2kff h SER 134 Ca -0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 2kff h SER 134 Cb 0.16 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.52 2kff h SER 134 CO 0.00 0.00 0.35 0.29 -1.14 0.00 0.00 176.83 176.34 2kff n LYS 135 N -2.40 3.20 -3.34 3.45 4.01 -0.35 -4.93 118.16 117.79 2kff n LYS 135 Ca 0.03 -3.07 -0.32 0.00 -0.51 0.00 0.00 58.31 54.43 2kff n LYS 135 Cb 0.29 -2.18 -0.06 0.00 -0.51 0.00 0.00 35.03 32.58 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 -3.09 3.86 -0.99 1.97 1.81 -0.84 -4.99 118.95 116.68 2kff s ARG 136 Ca 0.55 0.38 -0.23 0.00 -1.72 0.00 0.00 55.73 54.71 2kff s ARG 136 Cb 0.45 -2.61 0.04 0.00 -0.45 0.00 0.00 34.95 32.37 2kff s ARG 136 CO 0.12 0.29 1.51 0.50 -0.68 0.00 0.00 175.30 177.03 2kff s ARG 137 N -2.81 3.44 -0.24 3.54 3.52 -1.26 -4.95 118.95 120.19 2kff s ARG 137 Ca 0.48 -0.97 -0.19 0.00 -0.13 0.00 0.00 55.73 54.93 2kff s ARG 137 Cb -0.11 -5.26 -0.03 0.00 -1.56 0.00 0.00 34.95 27.99 2kff s ARG 137 CO 0.20 -2.36 0.55 -3.38 -0.81 0.00 0.00 175.30 169.51 2kff s HIS 138 N 5.68 3.31 0.00 5.12 -3.43 -1.26 -5.26 115.29 119.45 2kff s HIS 138 Ca 0.49 0.74 0.00 0.00 -0.80 0.00 0.00 55.06 55.49 2kff s HIS 138 Cb -0.01 -2.74 0.00 0.00 -1.43 0.00 0.00 32.58 28.40 2kff s HIS 138 CO -0.08 -0.23 0.00 0.39 -2.00 0.00 0.00 174.74 172.82