#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 2.29 -0.18 1.61 0.04 -1.26 -5.02 135.00 132.48 2kff s PRO 36 Ca 0.00 0.79 -0.18 0.00 0.04 0.00 0.00 61.00 61.65 2kff s PRO 36 Cb 0.00 -1.93 -0.15 0.00 0.04 0.00 0.00 34.50 32.46 2kff s PRO 36 CO 0.00 -1.51 0.16 1.25 0.04 0.00 0.00 177.00 176.93 2kff h LEU 37 N -1.02 0.00 0.00 -3.56 6.46 -2.14 -3.51 115.31 111.54 2kff h LEU 37 Ca -0.46 -0.40 0.00 0.00 -0.12 0.00 0.00 57.88 56.90 2kff h LEU 37 Cb 1.25 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 2kff h LEU 37 CO 0.57 1.23 0.00 0.61 -0.62 0.00 0.00 178.44 180.23 2kff n GLY 38 N 1.51 3.42 2.79 3.75 0.00 -1.26 -5.05 105.19 110.35 2kff n GLY 38 Ca -0.23 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 2kff n GLY 38 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kff n SER 39 N 0.00 5.31 -4.11 1.61 2.88 -1.26 -4.94 113.62 113.12 2kff n SER 39 Ca 0.00 -3.41 -0.33 0.00 -1.33 0.00 0.00 58.87 53.80 2kff n SER 39 Cb 0.00 -1.03 -0.15 0.00 -0.75 0.00 0.00 64.21 62.28 2kff n SER 39 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kff s ASP 40 N -1.97 4.34 -0.47 -3.46 2.15 -1.26 -5.09 116.67 110.92 2kff s ASP 40 Ca 0.34 -1.23 -0.16 0.00 0.43 0.00 0.00 52.55 51.93 2kff s ASP 40 Cb 0.08 -1.58 0.06 0.00 -0.30 0.00 0.00 42.92 41.18 2kff s ASP 40 CO 0.05 -0.17 0.45 -0.62 -0.17 0.00 0.00 175.17 174.71 2kff s ASP 41 N 1.17 6.17 0.14 -0.34 2.15 -1.26 -5.04 116.67 119.66 2kff s ASP 41 Ca -0.06 -1.13 -0.30 0.00 0.43 0.00 0.00 52.55 51.49 2kff s ASP 41 Cb -0.19 -2.21 -0.07 0.00 -0.30 0.00 0.00 42.92 40.15 2kff s ASP 41 CO -0.05 -0.69 1.05 0.68 -0.17 0.00 0.00 175.17 175.99 2kff s VAL 42 N 1.94 4.13 -0.38 1.11 -7.23 -1.26 -5.02 120.40 113.68 2kff s VAL 42 Ca 0.08 1.78 -0.13 0.00 -1.81 0.00 0.00 61.98 61.89 2kff s VAL 42 Cb -0.22 -4.14 0.02 0.00 0.56 0.00 0.00 36.38 32.60 2kff s VAL 42 CO 0.09 0.28 0.26 -1.61 -0.31 0.00 0.00 175.10 173.80 2kff s GLU 43 N -0.11 3.03 -0.51 4.82 2.02 -1.26 -5.04 118.70 121.64 2kff s GLU 43 Ca 0.49 -0.97 -0.25 0.00 0.02 0.00 0.00 54.97 54.26 2kff s GLU 43 Cb -0.27 -3.86 0.03 0.00 0.10 0.00 0.00 34.13 30.13 2kff s GLU 43 CO 0.32 -0.67 0.96 -0.46 0.02 0.00 0.00 175.26 175.43 2kff s TRP 44 N 1.65 2.83 -2.00 1.61 -0.00 -1.26 -4.84 118.94 116.93 2kff s TRP 44 Ca 0.04 0.23 0.07 0.00 -0.00 0.00 0.00 56.10 56.44 2kff s TRP 44 Cb -0.19 -4.08 0.43 0.00 -0.00 0.00 0.00 33.47 29.63 2kff s TRP 44 CO 0.09 -1.26 0.87 1.33 -0.00 0.00 0.00 176.95 177.98 2kff n VAL 45 N 6.36 0.00 0.03 5.86 0.24 -1.26 -1.31 118.33 128.26 2kff n VAL 45 Ca 0.05 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.42 2kff n VAL 45 Cb 0.48 -0.51 -0.12 0.00 -1.47 0.00 0.00 33.84 32.23 2kff n VAL 45 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2kff n VAL 46 N -0.74 0.00 0.31 3.34 0.31 -1.26 -4.31 118.33 115.98 2kff n VAL 46 Ca 0.05 -0.34 0.16 0.00 -0.01 0.00 0.00 64.34 64.20 2kff n VAL 46 Cb 0.02 0.19 0.69 0.00 -0.91 0.00 0.00 33.84 33.84 2kff n VAL 46 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2kff h GLY 47 N 2.84 0.00 2.00 2.92 0.00 -1.62 -2.18 103.07 107.03 2kff h GLY 47 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2kff h GLY 47 CO 0.00 0.00 -0.55 0.07 0.00 0.00 0.00 176.54 176.06 2kff h LYS 48 N 0.00 0.00 -0.22 4.80 2.10 -1.75 -3.29 116.57 118.21 2kff h LYS 48 Ca 0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.45 2kff h LYS 48 Cb 0.38 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 31.47 2kff h LYS 48 CO 0.00 0.55 -0.79 -0.25 -2.00 0.00 0.00 179.45 176.96 2kff n ASP 49 N -3.51 2.21 -0.11 7.07 8.00 -0.91 -4.85 116.55 124.45 2kff n ASP 49 Ca -0.00 -3.15 -0.10 0.00 0.71 0.00 0.00 54.79 52.25 2kff n ASP 49 Cb 0.64 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 2kff n ASP 49 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2kff h LYS 50 N 1.47 0.54 -1.01 -1.24 1.79 -1.48 -2.93 116.57 113.71 2kff h LYS 50 Ca 0.00 -0.13 0.25 0.00 -2.18 0.00 0.00 60.65 58.60 2kff h LYS 50 Cb 1.38 -0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 31.87 2kff h LYS 50 CO 0.21 0.60 0.66 -1.00 -1.08 0.00 0.00 179.45 178.85 2kff h PRO 51 N 0.39 0.34 -0.05 3.15 0.13 -1.88 0.28 132.00 134.35 2kff h PRO 51 Ca 0.11 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.13 2kff h PRO 51 Cb 0.30 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.36 2kff h PRO 51 CO 0.00 0.23 -0.28 1.15 -0.23 0.00 0.00 178.00 178.87 2kff h THR 52 N 0.35 1.45 0.00 1.56 2.02 -1.91 -1.23 112.91 115.15 2kff h THR 52 Ca 0.55 -1.73 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 2kff h THR 52 Cb 1.48 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 70.28 2kff h THR 52 CO -0.23 0.49 -0.19 1.88 0.37 0.00 0.00 175.52 177.84 2kff h TYR 53 N -0.24 0.00 -0.07 3.16 0.05 -1.14 -1.91 116.97 116.82 2kff h TYR 53 Ca -0.02 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.63 2kff h TYR 53 Cb 0.94 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.69 2kff h TYR 53 CO 0.14 0.19 -0.45 0.22 -1.05 0.00 0.00 178.16 177.20 2kff h ASP 54 N 0.00 0.52 -0.45 3.88 1.82 -0.47 -0.05 116.42 121.67 2kff h ASP 54 Ca -0.00 -0.67 0.04 0.00 -0.39 0.00 0.00 57.03 56.01 2kff h ASP 54 Cb 0.72 -0.16 -0.04 0.00 0.68 0.00 0.00 39.33 40.54 2kff h ASP 54 CO 0.02 1.11 0.20 -0.08 -1.61 0.00 0.00 179.24 178.88 2kff h GLU 55 N -0.03 0.39 -0.04 0.28 4.81 -0.88 -1.54 114.58 117.58 2kff h GLU 55 Ca -0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2kff h GLU 55 Cb 1.11 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 2kff h GLU 55 CO 0.09 0.26 -0.01 0.82 -0.73 0.00 0.00 179.01 179.44 2kff h ILE 56 N 0.40 1.28 -0.64 2.32 2.04 -1.35 -3.14 117.51 118.43 2kff h ILE 56 Ca 0.20 -0.87 0.12 0.00 1.00 0.00 0.00 64.86 65.31 2kff h ILE 56 Cb 0.14 1.78 -0.09 0.00 -0.74 0.00 0.00 36.82 37.91 2kff h ILE 56 CO -0.16 0.24 0.15 0.15 0.00 0.00 0.00 178.15 178.52 2kff h PHE 57 N -0.25 0.23 0.00 1.37 3.57 -0.78 -0.85 116.94 120.23 2kff h PHE 57 Ca 0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2kff h PHE 57 Cb 0.38 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2kff h PHE 57 CO 0.05 -0.04 0.00 0.66 -2.23 0.00 0.00 178.31 176.75 2kff n TYR 58 N -5.13 0.43 1.12 0.41 4.02 -0.60 -1.99 117.16 115.43 2kff n TYR 58 Ca 0.10 0.15 0.11 0.00 -0.01 0.00 0.00 57.90 58.25 2kff n TYR 58 Cb 0.35 -0.74 0.35 0.00 -0.02 0.00 0.00 39.34 39.28 2kff n TYR 58 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2kff n THR 59 N -1.88 0.24 0.06 -0.72 -2.24 -0.33 -3.56 114.28 105.86 2kff n THR 59 Ca 0.04 -0.39 0.08 0.00 -2.27 0.00 0.00 64.05 61.51 2kff n THR 59 Cb 0.28 0.46 0.18 0.00 -2.10 0.00 0.00 70.33 69.14 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 0.47 3.07 -2.45 3.22 4.77 -0.84 -5.02 117.00 120.22 2kff n LEU 60 Ca 0.16 -1.66 -0.04 0.00 -0.03 0.00 0.00 56.01 54.44 2kff n LEU 60 Cb 0.36 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2kff n LEU 60 CO 0.13 0.71 -0.06 -1.20 -1.33 0.00 0.00 177.39 175.64 2kff n SER 61 N 1.01 -6.32 -4.55 -1.43 7.64 -1.23 -4.84 113.62 103.89 2kff n SER 61 Ca 0.15 0.55 -0.42 0.00 1.01 0.00 0.00 58.87 60.16 2kff n SER 61 Cb 0.49 -4.17 -0.07 0.00 -1.01 0.00 0.00 64.21 59.44 2kff n SER 61 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2kff s PRO 62 N -1.92 3.58 0.20 1.43 0.04 -1.26 -4.77 135.00 132.30 2kff s PRO 62 Ca 0.14 -0.11 -0.15 0.00 0.04 0.00 0.00 61.00 60.92 2kff s PRO 62 Cb -0.04 -3.84 -0.08 0.00 0.04 0.00 0.00 34.50 30.59 2kff s PRO 62 CO 0.56 -0.76 0.61 0.08 0.04 0.00 0.00 177.00 177.53 2kff s VAL 63 N 2.61 4.79 -1.10 -0.36 1.01 0.22 -3.81 120.40 123.76 2kff s VAL 63 Ca 0.22 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2kff s VAL 63 Cb -0.15 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2kff s VAL 63 CO 0.15 0.12 0.00 -0.46 0.00 0.00 0.00 175.10 174.91 2kff n ASN 64 N 0.45 -3.02 -0.05 3.32 0.23 -1.26 -0.28 115.26 114.65 2kff n ASN 64 Ca -0.02 0.26 -0.00 0.00 -0.53 0.00 0.00 54.58 54.28 2kff n ASN 64 Cb 0.52 -2.83 -0.00 0.00 -2.08 0.00 0.00 39.78 35.39 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 -0.33 0.36 3.44 4.83 0.00 -1.25 -5.04 105.19 107.19 2kff n GLY 65 Ca -0.11 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 2kff n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kff s LYS 66 N -3.95 0.84 0.18 1.61 2.20 0.62 -4.22 119.74 117.03 2kff s LYS 66 Ca 0.00 0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.98 2kff s LYS 66 Cb 0.00 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.68 2kff s LYS 66 CO 0.00 -0.21 0.22 0.96 -0.36 0.00 0.00 175.35 175.96 2kff s ILE 67 N -0.75 4.85 0.78 5.43 -4.36 -0.03 -0.61 121.20 126.52 2kff s ILE 67 Ca -0.08 -0.99 -0.04 0.00 -0.26 0.00 0.00 60.65 59.28 2kff s ILE 67 Cb -0.03 -3.53 0.15 0.00 1.25 0.00 0.00 42.46 40.30 2kff s ILE 67 CO 0.06 -0.17 1.07 0.42 0.24 0.00 0.00 174.94 176.56 2kff s THR 68 N -1.83 2.09 0.05 8.37 -4.23 -1.26 -1.07 115.64 117.75 2kff s THR 68 Ca 0.33 -0.47 0.32 0.00 -1.18 0.00 0.00 61.69 60.69 2kff s THR 68 Cb -0.10 -2.62 0.34 0.00 1.34 0.00 0.00 72.50 71.46 2kff s THR 68 CO 0.26 0.00 1.96 1.23 -0.54 0.00 0.00 174.62 177.53 2kff h GLY 69 N -0.78 0.00 0.68 3.99 0.00 -1.97 -2.81 103.07 102.18 2kff h GLY 69 Ca -0.38 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 2kff h GLY 69 CO 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.83 2kff h ALA 70 N 2.06 0.16 -0.11 3.60 0.00 -1.94 -1.36 119.26 121.67 2kff h ALA 70 Ca 0.00 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 2kff h ALA 70 Cb 0.23 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2kff h ALA 70 CO 0.00 -0.00 -0.70 -0.91 0.00 0.00 0.00 179.25 177.64 2kff h ASN 71 N -0.14 0.82 1.42 0.00 4.21 -1.83 -1.78 115.58 118.28 2kff h ASN 71 Ca 0.02 -0.65 0.00 0.00 1.21 0.00 0.00 56.30 56.88 2kff h ASN 71 Cb 0.62 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 2kff h ASN 71 CO 0.03 1.34 0.00 0.00 -1.29 0.00 0.00 177.43 177.50 2kff h ALA 72 N 0.50 1.00 0.09 -0.83 0.00 -1.64 -2.28 119.26 116.11 2kff h ALA 72 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kff h ALA 72 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2kff h ALA 72 CO 0.14 0.00 -0.05 -0.22 0.00 0.00 0.00 179.25 179.13 2kff h LYS 73 N 0.00 -0.12 -0.24 0.00 3.64 -0.80 -1.66 116.57 117.39 2kff h LYS 73 Ca 0.00 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2kff h LYS 73 Cb 0.71 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2kff h LYS 73 CO 0.00 0.27 -0.03 1.57 -2.27 0.00 0.00 179.45 179.00 2kff h LYS 74 N -0.55 0.35 0.36 1.90 2.10 -1.23 0.12 116.57 119.62 2kff h LYS 74 Ca -0.01 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.55 2kff h LYS 74 Cb 0.45 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2kff h LYS 74 CO 0.02 0.40 -0.17 1.49 -2.00 0.00 0.00 179.45 179.19 2kff h GLU 75 N 0.34 -0.47 -0.15 0.07 4.22 -1.36 -1.91 114.58 115.33 2kff h GLU 75 Ca 0.08 0.03 -0.12 0.00 0.08 0.00 0.00 59.36 59.43 2kff h GLU 75 Cb 0.28 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2kff h GLU 75 CO 0.01 -0.26 -0.43 0.52 -2.18 0.00 0.00 179.01 176.66 2kff h MET 76 N -0.56 0.35 0.00 1.92 2.86 -0.79 -1.00 114.93 117.70 2kff h MET 76 Ca -0.05 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2kff h MET 76 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2kff h MET 76 CO 0.08 0.72 0.00 -0.39 1.06 0.00 0.00 176.91 178.38 2kff h VAL 77 N 0.29 0.00 0.00 -2.22 -1.51 -1.01 -2.00 116.25 109.79 2kff h VAL 77 Ca 0.02 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 2kff h VAL 77 Cb 0.88 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 2kff h VAL 77 CO 0.07 0.00 -0.46 0.29 -1.23 0.00 0.00 177.57 176.24 2kff n LYS 78 N -2.94 0.14 0.00 5.19 4.01 -0.72 -3.32 118.16 120.51 2kff n LYS 78 Ca 0.03 0.05 0.14 0.00 -0.51 0.00 0.00 58.31 58.02 2kff n LYS 78 Cb 0.44 -1.60 0.51 0.00 -0.51 0.00 0.00 35.03 33.88 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 -1.80 0.67 -1.36 4.39 7.64 -0.46 -4.94 113.62 117.75 2kff n SER 79 Ca 0.05 -0.66 -0.12 0.00 1.01 0.00 0.00 58.87 59.15 2kff n SER 79 Cb 0.38 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.87 -0.97 -3.79 1.43 4.01 -1.15 -5.00 118.16 111.82 2kff n LYS 80 Ca 0.13 0.63 -0.35 0.00 -0.51 0.00 0.00 58.31 58.21 2kff n LYS 80 Cb 0.31 -4.80 -0.05 0.00 -0.51 0.00 0.00 35.03 29.97 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 -3.48 4.38 0.66 -0.35 1.43 -1.23 -5.08 118.68 115.01 2kff s LEU 81 Ca 0.00 0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 53.46 2kff s LEU 81 Cb 0.00 -2.52 -0.00 0.00 0.03 0.00 0.00 46.19 43.70 2kff s LEU 81 CO 0.00 0.30 1.26 -2.16 0.23 0.00 0.00 176.35 175.98 2kff s PRO 82 N -1.56 2.53 0.24 1.29 0.04 -1.26 -4.81 135.00 131.48 2kff s PRO 82 Ca 0.24 1.96 -0.05 0.00 0.04 0.00 0.00 61.00 63.19 2kff s PRO 82 Cb -0.13 -1.86 0.36 0.00 0.04 0.00 0.00 34.50 32.92 2kff s PRO 82 CO 0.13 -1.58 1.82 -0.91 0.04 0.00 0.00 177.00 176.51 2kff h ASN 83 N 0.42 0.72 0.28 6.66 4.21 -1.98 -0.54 115.58 125.36 2kff h ASN 83 Ca -0.50 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.04 2kff h ASN 83 Cb 1.32 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 38.40 2kff h ASN 83 CO 0.53 0.44 -0.22 0.74 -1.29 0.00 0.00 177.43 177.62 2kff h THR 84 N 0.85 0.53 -0.64 2.81 2.02 -1.99 0.18 112.91 116.67 2kff h THR 84 Ca 0.38 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.61 2kff h THR 84 Cb 0.28 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 2kff h THR 84 CO -0.22 0.00 0.37 0.58 0.37 0.00 0.00 175.52 176.63 2kff h VAL 85 N -0.51 1.02 -0.48 3.16 2.07 -1.84 -1.97 116.25 117.70 2kff h VAL 85 Ca -0.02 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 2kff h VAL 85 Cb 0.45 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2kff h VAL 85 CO -0.01 0.13 0.11 -0.07 0.02 0.00 0.00 177.57 177.75 2kff h LEU 86 N 0.71 0.67 -0.71 2.57 3.38 -0.79 0.13 115.31 121.28 2kff h LEU 86 Ca 0.27 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2kff h LEU 86 Cb 0.10 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2kff h LEU 86 CO -0.14 0.67 0.44 1.23 0.09 0.00 0.00 178.44 180.73 2kff h GLY 87 N 0.90 1.02 0.78 0.83 0.00 0.06 0.74 103.07 107.41 2kff h GLY 87 Ca 0.16 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 2kff h GLY 87 CO -0.00 0.40 -0.09 0.50 0.00 0.00 0.00 176.54 177.34 2kff h LYS 88 N 0.96 0.38 0.02 4.80 1.57 -0.68 -1.68 116.57 121.95 2kff h LYS 88 Ca 0.26 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2kff h LYS 88 Cb -0.06 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2kff h LYS 88 CO -0.05 0.69 -0.14 0.82 -0.57 0.00 0.00 179.45 180.20 2kff h ILE 89 N 0.06 0.66 0.36 1.86 2.04 -0.58 -1.83 117.51 120.09 2kff h ILE 89 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 2kff h ILE 89 Cb 0.58 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2kff h ILE 89 CO 0.03 0.00 -0.18 -0.25 0.00 0.00 0.00 178.15 177.75 2kff h TRP 90 N -0.25 -0.45 0.00 1.37 2.91 -0.86 0.29 115.95 118.96 2kff h TRP 90 Ca 0.04 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.03 2kff h TRP 90 Cb 0.29 0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 29.09 2kff h TRP 90 CO -0.18 -0.27 -0.08 1.57 -1.03 0.00 0.00 178.44 178.44 2kff h LYS 91 N -0.51 0.00 0.09 2.65 2.10 -1.23 0.37 116.57 120.04 2kff h LYS 91 Ca -0.05 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.23 2kff h LYS 91 Cb 0.39 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.69 2kff h LYS 91 CO 0.08 0.08 -2.11 1.47 -2.00 0.00 0.00 179.45 176.98 2kff n LEU 92 N -3.46 2.62 -0.09 7.07 -0.00 -0.69 -4.33 117.00 118.11 2kff n LEU 92 Ca -0.02 0.13 -0.13 0.00 -0.00 0.00 0.00 56.01 56.00 2kff n LEU 92 Cb 0.23 -1.00 -0.01 0.00 -0.00 0.00 0.00 43.42 42.64 2kff n LEU 92 CO 0.28 0.85 0.51 0.00 -0.00 0.00 0.00 177.39 179.04 2kff h ALA 93 N 0.11 0.58 -1.08 1.47 0.00 -0.04 -3.37 119.26 116.92 2kff h ALA 93 Ca -0.46 -0.48 -0.46 0.00 0.00 0.00 0.00 54.91 53.51 2kff h ALA 93 Cb 2.01 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.62 2kff h ALA 93 CO 0.05 0.68 1.13 0.34 0.00 0.00 0.00 179.25 181.45 2kff s ASP 94 N -6.88 5.74 -0.02 0.00 2.15 0.08 -4.74 116.67 113.00 2kff s ASP 94 Ca -0.10 -0.68 -0.25 0.00 0.43 0.00 0.00 52.55 51.94 2kff s ASP 94 Cb 0.11 -2.56 -0.19 0.00 -0.30 0.00 0.00 42.92 39.98 2kff s ASP 94 CO 0.88 -2.16 1.24 0.58 -0.17 0.00 0.00 175.17 175.54 2kff h VAL 95 N 6.86 1.22 0.00 1.11 2.07 -1.86 -3.18 116.25 122.47 2kff h VAL 95 Ca 0.00 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 2kff h VAL 95 Cb 1.04 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2kff h VAL 95 CO 1.29 0.25 -0.10 -2.24 0.02 0.00 0.00 177.57 176.79 2kff h ASP 96 N -0.54 0.00 -5.64 0.57 3.04 -1.95 -3.48 116.42 108.41 2kff h ASP 96 Ca -0.01 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.60 2kff h ASP 96 Cb 0.47 0.00 0.07 0.00 -1.04 0.00 0.00 39.33 38.83 2kff h ASP 96 CO 0.01 0.10 -0.48 0.29 -2.04 0.00 0.00 179.24 177.12 2kff n LYS 97 N -3.15 -1.59 -0.24 4.15 5.02 -1.20 -4.92 118.16 116.22 2kff n LYS 97 Ca 0.02 1.10 0.07 0.00 -2.02 0.00 0.00 58.31 57.49 2kff n LYS 97 Cb 0.49 -5.22 0.19 0.00 -0.02 0.00 0.00 35.03 30.47 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 -2.39 3.22 -0.09 4.39 5.75 -1.26 -4.93 116.55 121.23 2kff n ASP 98 Ca -0.06 -2.10 -0.01 0.00 -0.01 0.00 0.00 54.79 52.61 2kff n ASP 98 Cb 0.57 -0.31 -0.01 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.61 0.44 3.19 6.12 0.00 -1.26 -4.96 105.19 109.33 2kff n GLY 99 Ca 0.15 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.27 1.68 -0.19 0.99 1.43 -1.26 -3.94 118.68 117.11 2kff s LEU 100 Ca 0.00 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 52.25 2kff s LEU 100 Cb 0.00 0.74 0.04 0.00 0.03 0.00 0.00 46.19 47.00 2kff s LEU 100 CO 0.00 -0.72 -0.10 -0.76 0.23 0.00 0.00 176.35 175.00 2kff s LEU 101 N -2.92 2.13 0.00 1.79 1.43 -0.24 -4.89 118.68 115.98 2kff s LEU 101 Ca 0.10 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 2kff s LEU 101 Cb 0.06 -1.19 0.16 0.00 0.03 0.00 0.00 46.19 45.24 2kff s LEU 101 CO -0.07 -0.14 0.84 -0.90 0.23 0.00 0.00 176.35 176.31 2kff n ASP 102 N 4.72 -0.32 0.25 2.29 5.68 -1.26 -0.85 116.55 127.06 2kff n ASP 102 Ca -0.15 -1.23 0.10 0.00 -0.50 0.00 0.00 54.79 53.01 2kff n ASP 102 Cb 0.47 -0.66 0.66 0.00 -1.14 0.00 0.00 41.12 40.45 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 -1.36 0.00 0.25 -1.12 2.03 -1.97 0.19 116.42 114.44 2kff h ASP 103 Ca -0.28 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.68 2kff h ASP 103 Cb 0.79 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.29 2kff h ASP 103 CO 0.19 0.13 -1.70 -0.33 -1.03 0.00 0.00 179.24 176.50 2kff h GLU 104 N 0.00 0.37 -0.31 4.15 5.08 -1.95 -1.63 114.58 120.30 2kff h GLU 104 Ca -0.00 -0.64 -0.14 0.00 -1.00 0.00 0.00 59.36 57.58 2kff h GLU 104 Cb 0.28 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2kff h GLU 104 CO 0.02 1.28 -0.37 0.93 -1.00 0.00 0.00 179.01 179.87 2kff h GLU 105 N 0.10 0.72 -0.44 2.33 5.08 -1.77 -0.54 114.58 120.07 2kff h GLU 105 Ca -0.32 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 57.59 2kff h GLU 105 Cb 2.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.33 2kff h GLU 105 CO 0.18 0.98 -0.05 0.35 -1.00 0.00 0.00 179.01 179.46 2kff h PHE 106 N 0.60 0.90 -0.71 4.33 3.57 -0.73 -1.12 116.94 123.78 2kff h PHE 106 Ca 0.06 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.40 2kff h PHE 106 Cb 0.91 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 2kff h PHE 106 CO 0.05 0.89 0.46 0.00 -2.23 0.00 0.00 178.31 177.47 2kff h ALA 107 N 0.88 0.92 -0.30 2.41 0.00 -1.10 0.11 119.26 122.19 2kff h ALA 107 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kff h ALA 107 Cb 0.57 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2kff h ALA 107 CO 0.03 0.26 0.17 1.25 0.00 0.00 0.00 179.25 180.96 2kff h LEU 108 N 0.91 0.36 -0.07 0.00 7.12 -0.91 -0.39 115.31 122.32 2kff h LEU 108 Ca 0.28 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.22 2kff h LEU 108 Cb -0.03 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.01 2kff h LEU 108 CO -0.09 0.33 0.04 0.00 -0.13 0.00 0.00 178.44 178.59 2kff h ALA 109 N 1.05 0.09 -0.23 1.25 0.00 -0.60 -0.25 119.26 120.57 2kff h ALA 109 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2kff h ALA 109 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2kff h ALA 109 CO -0.02 -0.42 -0.15 -0.91 0.00 0.00 0.00 179.25 177.76 2kff h ASN 110 N 0.09 0.37 -0.19 0.00 -0.26 -0.71 -0.70 115.58 114.18 2kff h ASN 110 Ca 0.02 -0.09 -0.11 0.00 -0.56 0.00 0.00 56.30 55.56 2kff h ASN 110 Cb -0.00 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 2kff h ASN 110 CO -0.01 0.55 -0.24 -0.74 -1.06 0.00 0.00 177.43 175.93 2kff h HIS 111 N 0.36 0.74 -0.57 1.19 2.76 -0.67 0.17 115.15 119.13 2kff h HIS 111 Ca 0.07 -0.17 -0.10 0.00 -2.20 0.00 0.00 60.37 57.97 2kff h HIS 111 Cb 0.48 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 2kff h HIS 111 CO 0.01 0.84 -0.02 -0.07 -1.30 0.00 0.00 177.93 177.40 2kff h LEU 112 N 0.57 0.99 -0.59 0.26 3.38 -0.24 -0.43 115.31 119.25 2kff h LEU 112 Ca 0.08 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 2kff h LEU 112 Cb 0.72 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2kff h LEU 112 CO 0.06 1.05 -0.34 0.40 0.09 0.00 0.00 178.44 179.69 2kff h ILE 113 N 0.92 1.28 -0.24 1.22 2.04 -0.87 -1.61 117.51 120.26 2kff h ILE 113 Ca 0.16 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 2kff h ILE 113 Cb 0.56 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2kff h ILE 113 CO 0.03 0.49 0.13 0.50 0.00 0.00 0.00 178.15 179.30 2kff h LYS 114 N 0.63 0.34 -0.06 2.37 3.64 -0.37 -1.46 116.57 121.66 2kff h LYS 114 Ca 0.06 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 2kff h LYS 114 Cb 0.88 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2kff h LYS 114 CO 0.08 0.32 -0.38 -0.39 -2.27 0.00 0.00 179.45 176.80 2kff h VAL 115 N 0.27 1.29 -0.59 2.00 -1.51 -1.00 0.37 116.25 117.08 2kff h VAL 115 Ca 0.08 -1.39 0.06 0.00 -1.23 0.00 0.00 66.70 64.23 2kff h VAL 115 Cb 0.08 1.67 -0.06 0.00 -2.13 0.00 0.00 31.29 30.86 2kff h VAL 115 CO -0.01 0.41 0.29 0.11 -1.23 0.00 0.00 177.57 177.14 2kff h LYS 116 N 0.10 0.53 0.00 5.19 1.79 -1.02 0.20 116.57 123.37 2kff h LYS 116 Ca 0.01 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.32 2kff h LYS 116 Cb 0.73 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 2kff h LYS 116 CO 0.05 0.35 -0.62 -0.07 -1.08 0.00 0.00 179.45 178.08 2kff h LEU 117 N 0.54 0.00 -1.97 2.94 3.38 -0.08 -2.38 115.31 117.74 2kff h LEU 117 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2kff h LEU 117 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2kff h LEU 117 CO -0.21 0.62 -0.06 -0.33 0.09 0.00 0.00 178.44 178.56 2kff h GLU 118 N 0.00 0.00 0.00 1.13 4.39 0.12 -3.46 114.58 116.76 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 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2kff h GLU 118 CO 0.08 0.06 0.00 0.41 -1.16 0.00 0.00 179.01 178.40 2kff n GLY 119 N -0.48 1.40 3.25 -3.84 0.00 -0.67 -5.06 105.19 99.78 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 1.60 -0.16 1.61 3.76 0.63 -5.01 115.29 115.71 2kff s HIS 120 Ca 0.00 -0.43 -0.14 0.00 -0.15 0.00 0.00 55.06 54.34 2kff s HIS 120 Cb 0.00 -0.88 -0.05 0.00 1.11 0.00 0.00 32.58 32.76 2kff s HIS 120 CO 0.00 0.16 0.30 -1.21 -0.85 0.00 0.00 174.74 173.14 2kff s GLU 121 N -1.86 4.26 0.08 1.40 0.41 -1.26 -3.62 118.70 118.12 2kff s GLU 121 Ca 0.04 0.11 -0.28 0.00 -0.41 0.00 0.00 54.97 54.43 2kff s GLU 121 Cb -0.10 -3.43 -0.06 0.00 -1.78 0.00 0.00 34.13 28.77 2kff s GLU 121 CO 0.04 0.23 0.88 -0.48 -0.49 0.00 0.00 175.26 175.44 2kff s LEU 122 N 0.49 4.48 0.00 1.80 0.05 -1.26 -4.94 118.68 119.30 2kff s LEU 122 Ca 0.17 1.65 0.18 0.00 0.05 0.00 0.00 54.13 56.18 2kff s LEU 122 Cb -0.13 -3.44 1.05 0.00 -2.05 0.00 0.00 46.19 41.61 2kff s LEU 122 CO 0.04 -0.03 1.52 -0.81 -0.55 0.00 0.00 176.35 176.51 2kff n PRO 123 N 2.79 0.75 -1.80 1.48 -0.04 -1.26 -4.82 135.00 132.10 2kff n PRO 123 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.27 2kff n PRO 123 Cb 0.50 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.86 -0.39 -2.23 0.55 0.00 -1.26 -4.94 120.51 111.37 2kff n ALA 124 Ca 0.13 0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.72 2kff n ALA 124 Cb 0.06 -2.00 -0.10 0.00 0.00 0.00 0.00 19.45 17.41 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 -2.50 1.41 -0.55 0.00 2.15 -1.26 -4.79 116.67 111.13 2kff s ASP 125 Ca 0.00 -1.09 -0.03 0.00 0.43 0.00 0.00 52.55 51.86 2kff s ASP 125 Cb 0.00 0.07 0.14 0.00 -0.30 0.00 0.00 42.92 42.83 2kff s ASP 125 CO 0.00 -0.47 0.35 -0.76 -0.17 0.00 0.00 175.17 174.12 2kff s LEU 126 N -3.15 5.24 0.73 -1.34 1.43 -1.26 -5.01 118.68 115.33 2kff s LEU 126 Ca 0.19 -2.55 -0.16 0.00 -1.03 0.00 0.00 54.13 50.58 2kff s LEU 126 Cb 0.05 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.45 2kff s LEU 126 CO 0.01 -0.43 1.14 -0.81 0.23 0.00 0.00 176.35 176.49 2kff n PRO 127 N 3.89 0.55 0.00 1.29 -0.04 -1.26 -4.89 135.00 134.55 2kff n PRO 127 Ca 0.04 0.25 0.02 0.00 -0.04 0.00 0.00 63.50 63.77 2kff n PRO 127 Cb 0.39 -2.38 0.08 0.00 -0.04 0.00 0.00 33.50 31.54 2kff n PRO 127 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2kff n PRO 128 N -2.39 0.00 -0.03 0.54 -0.04 -1.26 -0.68 135.00 131.14 2kff n PRO 128 Ca 0.14 0.44 0.07 0.00 -0.04 0.00 0.00 63.50 64.11 2kff n PRO 128 Cb 0.49 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.51 0.09 0.81 0.54 1.44 -1.26 -4.31 115.22 111.02 2kff n HIS 129 Ca 0.01 -0.08 0.08 0.00 -2.01 0.00 0.00 57.72 55.73 2kff n HIS 129 Cb 0.04 -0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.09 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 0.78 1.24 -4.62 2.39 4.32 0.14 -4.12 117.00 117.14 2kff n LEU 130 Ca 0.09 -0.62 -0.42 0.00 -0.02 0.00 0.00 56.01 55.05 2kff n LEU 130 Cb 0.37 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.11 2kff n LEU 130 CO 0.09 0.26 0.54 -0.69 -1.22 0.00 0.00 177.39 176.37 2kff s VAL 131 N -2.38 4.84 0.32 4.08 1.01 -1.19 -4.95 120.40 122.13 2kff s VAL 131 Ca 0.10 1.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.95 2kff s VAL 131 Cb 0.14 -4.10 -0.12 0.00 0.00 0.00 0.00 36.38 32.30 2kff s VAL 131 CO 0.59 -0.18 1.39 -2.65 0.00 0.00 0.00 175.10 174.25 2kff n PRO 132 N 6.07 2.28 0.00 2.72 -0.02 -1.26 -4.88 135.00 139.91 2kff n PRO 132 Ca 0.03 0.80 0.08 0.00 -2.02 0.00 0.00 63.50 62.39 2kff n PRO 132 Cb 0.48 -2.45 0.39 0.00 -0.02 0.00 0.00 33.50 31.90 2kff n PRO 132 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2kff n PRO 133 N 1.02 0.14 -0.00 0.52 -0.04 -1.26 -1.79 135.00 133.59 2kff n PRO 133 Ca 0.06 0.17 0.15 0.00 -0.04 0.00 0.00 63.50 63.83 2kff n PRO 133 Cb 0.36 -1.50 0.80 0.00 -0.04 0.00 0.00 33.50 33.12 2kff n PRO 133 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kff n SER 134 N -1.37 0.41 -0.94 3.54 7.64 -1.26 -2.91 113.62 118.73 2kff n SER 134 Ca 0.06 -1.17 -0.01 0.00 1.01 0.00 0.00 58.87 58.76 2kff n SER 134 Cb 0.15 -0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.54 2kff n SER 134 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kff n LYS 135 N -0.66 1.87 -4.05 1.43 4.01 -0.74 -5.01 118.16 115.01 2kff n LYS 135 Ca 0.22 -3.36 -0.32 0.00 -0.51 0.00 0.00 58.31 54.34 2kff n LYS 135 Cb 0.17 -1.75 -0.06 0.00 -0.51 0.00 0.00 35.03 32.88 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 -3.29 3.11 0.01 1.97 1.81 -1.15 -5.01 118.95 116.41 2kff s ARG 136 Ca 0.42 -0.50 0.03 0.00 -1.72 0.00 0.00 55.73 53.96 2kff s ARG 136 Cb 0.39 -2.88 -0.01 0.00 -0.45 0.00 0.00 34.95 31.99 2kff s ARG 136 CO -0.04 0.63 -0.09 0.50 -0.68 0.00 0.00 175.30 175.63 2kff s ARG 137 N -1.96 0.63 -0.10 3.54 3.52 -1.26 -5.12 118.95 118.20 2kff s ARG 137 Ca 0.26 -0.47 -0.00 0.00 -0.13 0.00 0.00 55.73 55.38 2kff s ARG 137 Cb -0.12 -0.57 -0.03 0.00 -1.56 0.00 0.00 34.95 32.67 2kff s ARG 137 CO 0.17 0.14 -0.07 -3.38 -0.81 0.00 0.00 175.30 171.36 2kff s HIS 138 N -0.59 2.94 0.00 5.12 -3.43 -1.26 -5.27 115.29 112.81 2kff s HIS 138 Ca -0.00 -0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.13 2kff s HIS 138 Cb -0.05 -1.78 0.00 0.00 -1.43 0.00 0.00 32.58 29.31 2kff s HIS 138 CO 0.00 0.18 0.00 0.39 -2.00 0.00 0.00 174.74 173.31