#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2key s ASN 2 N 0.00 6.31 0.43 6.12 0.01 -1.26 -5.04 114.94 121.51 2key s ASN 2 Ca 0.00 -1.79 -0.21 0.00 -0.71 0.00 0.00 52.86 50.15 2key s ASN 2 Cb 0.00 -2.27 -0.11 0.00 0.41 0.00 0.00 41.25 39.28 2key s ASN 2 CO 0.00 -0.95 0.96 0.54 -1.51 0.00 0.00 177.10 176.14 2key s ASN 3 N 3.39 6.90 0.32 -1.22 4.22 -1.26 -4.96 114.94 122.33 2key s ASN 3 Ca 0.12 1.72 0.09 0.00 -2.14 0.00 0.00 52.86 52.65 2key s ASN 3 Cb -0.22 -2.54 0.94 0.00 1.28 0.00 0.00 41.25 40.70 2key s ASN 3 CO 0.02 -0.39 1.65 -0.65 -2.04 0.00 0.00 177.10 175.68 2key h PRO 4 N 1.93 0.24 -1.65 3.55 0.11 -2.06 -3.44 132.00 130.68 2key h PRO 4 Ca -0.49 -0.01 -0.42 0.00 0.11 0.00 0.00 66.00 65.19 2key h PRO 4 Cb 1.18 -0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.12 2key h PRO 4 CO 0.61 0.16 -0.43 0.43 -0.21 0.00 0.00 178.00 178.56 2key n SER 5 N -5.15 -5.54 -1.10 -2.05 7.64 -1.26 -4.81 113.62 101.35 2key n SER 5 Ca 0.28 0.35 0.08 0.00 1.01 0.00 0.00 58.87 60.59 2key n SER 5 Cb 0.87 -4.81 0.27 0.00 -1.01 0.00 0.00 64.21 59.53 2key n SER 5 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2key n ASP 6 N -1.54 3.97 -4.74 6.43 2.03 -1.26 -4.99 116.55 116.45 2key n ASP 6 Ca -0.22 -2.49 -0.42 0.00 0.52 0.00 0.00 54.79 52.19 2key n ASP 6 Cb 0.68 -0.46 -0.03 0.00 -0.72 0.00 0.00 41.12 40.59 2key n ASP 6 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2key s PHE 7 N -1.90 3.09 0.35 -0.67 0.08 -1.26 -4.91 117.98 112.76 2key s PHE 7 Ca 0.40 0.99 0.03 0.00 0.12 0.00 0.00 56.93 58.47 2key s PHE 7 Cb 0.27 -3.78 0.63 0.00 -0.57 0.00 0.00 43.02 39.57 2key s PHE 7 CO 0.17 -2.62 1.95 0.87 -0.10 0.00 0.00 175.22 175.49 2key h LYS 8 N 5.58 0.70 0.00 0.44 1.57 -1.94 -3.47 116.57 119.45 2key h LYS 8 Ca -0.45 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.30 2key h LYS 8 Cb 1.21 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2key h LYS 8 CO 0.81 0.55 0.26 0.43 -0.57 0.00 0.00 179.45 180.93 2key n SER 9 N -4.38 -1.02 -0.33 0.86 7.64 -1.26 -4.59 113.62 110.53 2key n SER 9 Ca 0.04 -1.60 0.09 0.00 1.01 0.00 0.00 58.87 58.40 2key n SER 9 Cb 0.13 1.68 0.25 0.00 -1.01 0.00 0.00 64.21 65.26 2key n SER 9 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 2key h PHE 10 N 1.53 0.98 0.00 1.43 -0.00 -1.73 0.15 116.94 119.30 2key h PHE 10 Ca -0.16 0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 57.83 2key h PHE 10 Cb 0.64 -0.30 -0.00 0.00 -0.00 0.00 0.00 35.95 36.30 2key h PHE 10 CO 0.00 0.29 -0.08 1.12 -0.00 0.00 0.00 178.31 179.64 2key h HIS 11 N 0.79 0.00 0.23 6.09 2.07 -1.91 -0.65 115.15 121.77 2key h HIS 11 Ca 0.51 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.71 2key h HIS 11 Cb 0.66 0.00 0.04 0.00 2.57 0.00 0.00 27.41 30.67 2key h HIS 11 CO -0.04 0.08 -1.37 0.22 -3.07 0.00 0.00 177.93 173.75 2key h ASP 12 N 0.00 0.81 -0.55 3.10 3.58 -1.36 -2.17 116.42 119.84 2key h ASP 12 Ca -0.00 -0.91 -0.07 0.00 0.42 0.00 0.00 57.03 56.47 2key h ASP 12 Cb 0.17 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 2key h ASP 12 CO 0.01 1.66 0.08 0.15 -2.88 0.00 0.00 179.24 178.26 2key h PHE 13 N 0.10 0.97 -0.03 0.28 3.04 -1.04 -2.70 116.94 117.56 2key h PHE 13 Ca -0.24 -0.14 0.02 0.00 3.98 0.00 0.00 57.97 61.60 2key h PHE 13 Cb 2.08 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 40.29 2key h PHE 13 CO 0.14 0.87 -0.12 0.28 -2.02 0.00 0.00 178.31 177.45 2key h VAL 14 N 0.80 0.69 -0.47 1.41 2.07 -1.14 -2.31 116.25 117.29 2key h VAL 14 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 2key h VAL 14 Cb 0.43 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2key h VAL 14 CO 0.01 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.92 2key h ALA 15 N 0.79 1.77 -0.18 1.67 0.00 -1.29 0.50 119.26 122.52 2key h ALA 15 Ca 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2key h ALA 15 Cb 0.27 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2key h ALA 15 CO -0.14 0.18 -0.10 1.03 0.00 0.00 0.00 179.25 180.22 2key h SER 16 N 0.54 0.40 0.87 0.00 0.87 -1.13 -2.89 113.55 112.21 2key h SER 16 Ca 0.19 -0.42 -0.20 0.00 -1.23 0.00 0.00 61.79 60.13 2key h SER 16 Cb 0.09 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 2key h SER 16 CO -0.05 0.74 -0.93 0.22 -0.53 0.00 0.00 176.83 176.28 2key h TYR 17 N 0.07 0.05 0.00 2.24 3.20 -0.89 -3.20 116.97 118.44 2key h TYR 17 Ca 0.04 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2key h TYR 17 Cb 0.59 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 2key h TYR 17 CO 0.07 0.94 -0.03 1.98 -1.64 0.00 0.00 178.16 179.47 2key h MET 18 N 0.01 0.00 -0.73 1.82 4.05 0.01 0.08 114.93 120.17 2key h MET 18 Ca -0.02 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.45 2key h MET 18 Cb 1.63 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.38 2key h MET 18 CO 0.12 0.03 0.48 0.87 0.23 0.00 0.00 176.91 178.65 2key h LYS 19 N 0.00 0.80 0.00 0.39 1.79 -1.50 0.10 116.57 118.14 2key h LYS 19 Ca -0.00 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.29 2key h LYS 19 Cb 0.06 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 2key h LYS 19 CO 0.00 0.53 -0.65 1.15 -1.08 0.00 0.00 179.45 179.40 2key h THR 20 N 0.82 1.25 0.00 -0.16 2.02 -1.16 -3.15 112.91 112.53 2key h THR 20 Ca 0.31 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 65.09 2key h THR 20 Cb 0.17 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 2key h THR 20 CO -0.10 0.63 -0.39 0.00 0.37 0.00 0.00 175.52 176.04 2key n TYR 21 N -3.46 0.15 0.43 3.16 9.36 -0.50 -3.85 117.16 122.44 2key n TYR 21 Ca 0.00 0.04 0.06 0.00 3.32 0.00 0.00 57.90 61.33 2key n TYR 21 Cb 0.72 -0.42 0.27 0.00 -0.63 0.00 0.00 39.34 39.28 2key n TYR 21 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 2key n SER 22 N -1.65 0.01 0.20 2.98 3.41 0.23 -3.18 113.62 115.63 2key n SER 22 Ca 0.05 0.50 0.16 0.00 -0.26 0.00 0.00 58.87 59.33 2key n SER 22 Cb 0.36 -0.51 0.80 0.00 -0.26 0.00 0.00 64.21 64.60 2key n SER 22 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2key h ARG 23 N 0.00 0.00 0.00 4.33 3.08 -1.78 0.72 114.38 120.73 2key h ARG 23 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2key h ARG 23 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2key h ARG 23 CO 0.00 0.00 -0.50 0.54 -1.07 0.00 0.00 179.97 178.94 2key n ARG 24 N -3.97 1.50 -4.17 0.04 1.74 -1.19 -5.00 116.66 105.61 2key n ARG 24 Ca 0.01 -3.21 -0.25 0.00 -0.77 0.00 0.00 57.85 53.63 2key n ARG 24 Cb 0.30 -1.54 -0.17 0.00 -1.02 0.00 0.00 32.46 30.04 2key n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2key s LEU 25 N -3.07 1.35 0.67 0.55 1.02 0.24 -5.11 118.68 114.34 2key s LEU 25 Ca 0.37 -0.28 -0.11 0.00 0.02 0.00 0.00 54.13 54.13 2key s LEU 25 Cb 0.37 -0.80 -0.01 0.00 0.02 0.00 0.00 46.19 45.77 2key s LEU 25 CO -0.07 -0.06 1.05 -1.61 0.02 0.00 0.00 176.35 175.68 2key s GLU 26 N 1.28 3.19 0.26 1.70 0.41 -1.26 -4.80 118.70 119.47 2key s GLU 26 Ca -0.03 0.86 -0.02 0.00 -0.41 0.00 0.00 54.97 55.36 2key s GLU 26 Cb -0.14 -2.03 0.44 0.00 -1.78 0.00 0.00 34.13 30.63 2key s GLU 26 CO -0.03 -0.89 1.83 0.82 -0.49 0.00 0.00 175.26 176.49 2key h ILE 27 N -0.56 0.94 0.13 -1.63 1.08 -1.97 0.24 117.51 115.74 2key h ILE 27 Ca -0.44 -0.31 0.02 0.00 -0.39 0.00 0.00 64.86 63.74 2key h ILE 27 Cb 1.20 -0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 2key h ILE 27 CO 0.59 0.17 -0.28 1.23 -0.69 0.00 0.00 178.15 179.16 2key h GLY 28 N 0.91 -0.54 2.00 5.37 0.00 -1.99 -0.82 103.07 108.00 2key h GLY 28 Ca 0.43 0.33 -0.16 0.00 0.00 0.00 0.00 47.33 47.93 2key h GLY 28 CO -0.24 -0.23 -0.77 0.00 0.00 0.00 0.00 176.54 175.30 2key h THR 29 N -0.50 1.48 0.41 4.70 1.03 -1.85 -1.98 112.91 116.19 2key h THR 29 Ca 0.03 -2.71 -0.02 0.00 -0.01 0.00 0.00 66.41 63.70 2key h THR 29 Cb 0.53 2.49 -0.00 0.00 -1.07 0.00 0.00 68.15 70.10 2key h THR 29 CO -0.16 0.76 -0.22 0.15 -0.01 0.00 0.00 175.52 176.04 2key h PHE 30 N 0.00 -0.58 0.00 0.00 3.57 -0.24 -2.63 116.94 117.05 2key h PHE 30 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2key h PHE 30 Cb 1.43 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 40.37 2key h PHE 30 CO 0.00 -0.35 -0.03 0.07 -2.23 0.00 0.00 178.31 175.77 2key h ARG 31 N -0.59 0.00 -0.55 1.11 0.11 -1.22 -3.06 114.38 110.18 2key h ARG 31 Ca -0.05 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.10 2key h ARG 31 Cb 0.47 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.52 2key h ARG 31 CO 0.07 0.03 0.37 1.25 0.10 0.00 0.00 179.97 181.79 2key h HIS 32 N 0.00 0.46 -0.06 4.08 2.76 -0.97 -0.52 115.15 120.89 2key h HIS 32 Ca -0.00 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2key h HIS 32 Cb 0.86 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.67 2key h HIS 32 CO 0.00 0.24 -0.05 -2.39 -1.30 0.00 0.00 177.93 174.43 2key n HIS 33 N -4.47 0.21 -0.08 5.26 1.44 -1.19 -4.61 115.22 111.77 2key n HIS 33 Ca 0.08 -1.04 -0.22 0.00 -2.01 0.00 0.00 57.72 54.53 2key n HIS 33 Cb 0.29 -0.20 -0.12 0.00 0.12 0.00 0.00 29.99 30.08 2key n HIS 33 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2key n LYS 34 N -1.23 0.66 0.14 -1.40 4.81 -0.23 -4.44 118.16 116.47 2key n LYS 34 Ca 0.18 0.28 0.01 0.00 -0.87 0.00 0.00 58.31 57.92 2key n LYS 34 Cb 0.71 -1.61 0.13 0.00 0.02 0.00 0.00 35.03 34.27 2key n LYS 34 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2key h SER 35 N -0.35 0.00 0.01 3.14 4.64 -1.76 -3.31 113.55 115.92 2key h SER 35 Ca -0.52 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2key h SER 35 Cb 1.78 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.87 2key h SER 35 CO -0.12 0.56 -0.01 0.00 -0.87 0.00 0.00 176.83 176.39 2key h MET 37 N -0.01 0.00 0.08 0.00 2.86 -1.83 -1.31 114.93 114.72 2key h MET 37 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2key h MET 37 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2key h MET 37 CO -0.00 0.17 -0.04 -0.09 1.06 0.00 0.00 176.91 178.01 2key h ARG 38 N 0.00 -0.10 0.00 1.72 2.43 -1.57 -3.06 114.38 113.80 2key h ARG 38 Ca -0.00 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2key h ARG 38 Cb 0.45 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2key h ARG 38 CO 0.02 0.27 -0.25 -0.22 -1.51 0.00 0.00 179.97 178.28 2key h LYS 39 N -0.49 0.00 0.00 0.20 3.11 -0.03 -2.66 116.57 116.69 2key h LYS 39 Ca -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2key h LYS 39 Cb 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 2key h LYS 39 CO 0.02 0.25 0.00 0.34 -2.81 0.00 0.00 179.45 177.24 2key n PHE 40 N -3.93 0.00 -2.04 1.91 7.35 -0.52 -4.45 117.46 115.78 2key n PHE 40 Ca -0.02 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.30 2key n PHE 40 Cb 0.33 -0.11 -0.03 0.00 0.35 0.00 0.00 39.48 40.02 2key n PHE 40 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2key n LYS 41 N -1.11 2.30 -0.18 -4.13 4.81 -1.01 -4.66 118.16 114.19 2key n LYS 41 Ca 0.18 -2.66 -0.08 0.00 -0.87 0.00 0.00 58.31 54.88 2key n LYS 41 Cb 0.14 -3.46 0.01 0.00 0.02 0.00 0.00 35.03 31.75 2key n LYS 41 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2key h GLU 42 N 8.16 0.77 -4.78 1.64 4.39 -1.89 -3.46 114.58 119.42 2key h GLU 42 Ca 0.38 -0.15 -0.34 0.00 0.34 0.00 0.00 59.36 59.58 2key h GLU 42 Cb 0.83 -0.12 -0.14 0.00 -0.10 0.00 0.00 28.75 29.22 2key h GLU 42 CO 1.52 0.70 -0.59 0.71 -1.16 0.00 0.00 179.01 180.20 2key s TYR 43 N -5.48 1.44 -0.06 4.33 2.02 -1.26 -5.14 117.35 113.21 2key s TYR 43 Ca -0.13 -1.37 -0.25 0.00 -0.37 0.00 0.00 57.07 54.95 2key s TYR 43 Cb 0.12 -0.74 -0.03 0.00 -0.40 0.00 0.00 41.96 40.90 2key s TYR 43 CO 0.78 -0.56 0.79 0.00 -1.57 0.00 0.00 175.55 174.98 2key s GLU 45 N 0.99 0.27 -0.15 0.00 2.56 -1.26 -5.05 118.70 116.06 2key s GLU 45 Ca 0.41 0.72 -0.27 0.00 0.00 0.00 0.00 54.97 55.84 2key s GLU 45 Cb -0.18 -0.17 -0.24 0.00 2.00 0.00 0.00 34.13 35.53 2key s GLU 45 CO 0.20 -0.43 0.67 0.78 -0.56 0.00 0.00 175.26 175.92 2key h GLY 46 N 8.22 0.00 -3.70 -1.50 0.00 -1.95 -3.28 103.07 100.86 2key h GLY 46 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2key h GLY 46 CO 0.19 0.00 -0.63 -0.10 0.00 0.00 0.00 176.54 176.00 2key n LEU 47 N -4.60 -4.83 0.00 3.11 0.00 -1.26 -4.24 117.00 105.18 2key n LEU 47 Ca -0.12 1.73 -0.28 0.00 0.00 0.00 0.00 56.01 57.34 2key n LEU 47 Cb 0.48 -2.39 0.19 0.00 0.00 0.00 0.00 43.42 41.70 2key n LEU 47 CO 0.31 -1.85 0.82 0.00 0.00 0.00 0.00 177.39 176.66 2key n GLN 48 N 1.12 -1.09 -0.13 1.96 3.00 -1.26 -4.93 117.38 116.06 2key n GLN 48 Ca -0.02 -2.16 -0.01 0.00 -0.01 0.00 0.00 57.00 54.80 2key n GLN 48 Cb 0.03 -1.24 0.23 0.00 0.00 0.00 0.00 30.24 29.26 2key n GLN 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2key h PHE 49 N -1.56 0.82 0.00 1.08 -0.00 -1.96 -2.30 116.94 113.02 2key h PHE 49 Ca -0.41 -0.05 0.00 0.00 -0.00 0.00 0.00 57.97 57.51 2key h PHE 49 Cb 1.18 -0.25 0.00 0.00 -0.00 0.00 0.00 35.95 36.88 2key h PHE 49 CO 0.00 0.64 0.00 -2.39 -0.00 0.00 0.00 178.31 176.56 2key n HIS 50 N -4.32 0.00 0.12 6.09 1.44 -1.26 -2.31 115.22 114.98 2key n HIS 50 Ca 0.05 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.87 2key n HIS 50 Cb 0.17 -0.47 0.03 0.00 0.12 0.00 0.00 29.99 29.84 2key n HIS 50 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2key h GLU 51 N 0.00 0.00 -5.55 -1.40 3.07 -1.77 -3.42 114.58 105.51 2key h GLU 51 Ca 0.00 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.20 2key h GLU 51 Cb 0.47 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.25 2key h GLU 51 CO 0.00 0.01 1.41 -1.17 -1.40 0.00 0.00 179.01 177.87 2key s LEU 52 N -5.55 4.24 0.45 1.33 1.98 -0.98 -4.57 118.68 115.57 2key s LEU 52 Ca 0.01 -2.03 0.03 0.00 -2.89 0.00 0.00 54.13 49.25 2key s LEU 52 Cb 0.09 -2.50 -0.02 0.00 0.66 0.00 0.00 46.19 44.42 2key s LEU 52 CO 0.77 -1.21 0.09 0.42 -1.89 0.00 0.00 176.35 174.53 2key s THR 53 N 3.69 0.76 0.47 3.68 -4.23 -1.26 -4.81 115.64 113.93 2key s THR 53 Ca 0.43 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.08 2key s THR 53 Cb -0.01 -2.27 0.29 0.00 1.34 0.00 0.00 72.50 71.85 2key s THR 53 CO -0.05 0.00 2.08 -0.08 -0.54 0.00 0.00 174.62 176.03 2key h GLU 54 N 1.63 0.23 -0.11 3.99 4.22 -1.92 -1.95 114.58 120.66 2key h GLU 54 Ca -0.38 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.04 2key h GLU 54 Cb 1.29 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2key h GLU 54 CO 0.62 0.15 0.05 0.22 -2.18 0.00 0.00 179.01 177.87 2key h ASP 55 N 0.23 0.15 -0.56 1.04 3.58 -1.93 -0.94 116.42 117.99 2key h ASP 55 Ca 0.11 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2key h ASP 55 Cb 0.16 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 2key h ASP 55 CO -0.02 0.23 0.33 0.15 -2.88 0.00 0.00 179.24 177.04 2key h PHE 56 N 0.06 0.75 -0.03 0.28 3.57 -1.63 0.12 116.94 120.06 2key h PHE 56 Ca 0.04 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2key h PHE 56 Cb 0.12 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2key h PHE 56 CO -0.03 0.52 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.46 2key h LEU 57 N 0.76 -0.13 -0.76 0.59 -0.00 -1.19 0.27 115.31 114.85 2key h LEU 57 Ca 0.20 0.02 -0.09 0.00 -0.00 0.00 0.00 57.88 58.01 2key h LEU 57 Cb 0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 2key h LEU 57 CO -0.04 -0.06 -0.44 0.08 -0.00 0.00 0.00 178.44 177.98 2key h ARG 58 N -0.06 0.00 -0.05 1.13 0.11 -0.99 -2.47 114.38 112.05 2key h ARG 58 Ca 0.03 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.96 2key h ARG 58 Cb 0.10 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.19 2key h ARG 58 CO -0.06 0.44 -0.53 0.22 0.10 0.00 0.00 179.97 180.13 2key h ASP 59 N 0.00 0.55 0.04 0.08 3.58 -0.44 -3.03 116.42 117.20 2key h ASP 59 Ca -0.00 -0.70 -0.05 0.00 0.42 0.00 0.00 57.03 56.70 2key h ASP 59 Cb 1.01 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 2key h ASP 59 CO 0.06 1.17 -0.13 0.22 -2.88 0.00 0.00 179.24 177.67 2key h TYR 60 N -0.03 0.21 0.16 0.28 3.20 -0.41 0.40 116.97 120.79 2key h TYR 60 Ca -0.05 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.80 2key h TYR 60 Cb 1.21 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 2key h TYR 60 CO 0.13 0.34 -0.19 1.25 -1.64 0.00 0.00 178.16 178.06 2key h LEU 61 N 0.20 -0.51 -0.50 2.82 5.85 -1.47 0.98 115.31 122.68 2key h LEU 61 Ca 0.04 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 2key h LEU 61 Cb 0.36 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2key h LEU 61 CO 0.02 -0.28 -0.10 0.40 -0.34 0.00 0.00 178.44 178.14 2key h ILE 62 N -0.39 1.27 -0.45 4.05 2.04 -1.18 0.14 117.51 122.98 2key h ILE 62 Ca 0.01 -1.24 0.07 0.00 1.00 0.00 0.00 64.86 64.70 2key h ILE 62 Cb 0.38 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 2key h ILE 62 CO -0.06 0.43 0.11 0.22 0.00 0.00 0.00 178.15 178.85 2key h TYR 63 N 0.80 0.18 -0.23 1.37 3.20 -0.10 0.46 116.97 122.65 2key h TYR 63 Ca 0.13 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.84 2key h TYR 63 Cb 0.66 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 2key h TYR 63 CO 0.05 0.03 -0.58 1.98 -1.64 0.00 0.00 178.16 178.00 2key h MET 64 N 0.25 0.74 -0.74 1.82 4.05 -0.60 0.18 114.93 120.63 2key h MET 64 Ca 0.22 -0.49 -0.05 0.00 -0.28 0.00 0.00 59.70 59.10 2key h MET 64 Cb 0.26 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 2key h MET 64 CO -0.27 1.11 0.27 -0.22 0.23 0.00 0.00 176.91 178.04 2key h LYS 65 N 0.56 1.13 0.00 0.39 3.11 -0.13 -0.37 116.57 121.26 2key h LYS 65 Ca 0.00 -0.22 0.00 0.00 -2.81 0.00 0.00 60.65 57.63 2key h LYS 65 Cb 1.17 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.22 2key h LYS 65 CO 0.12 0.94 -0.15 -0.22 -2.81 0.00 0.00 179.45 177.32 2key h LYS 66 N 1.08 0.00 -0.29 1.90 3.64 -0.05 -2.88 116.57 119.97 2key h LYS 66 Ca 0.25 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.47 2key h LYS 66 Cb 0.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2key h LYS 66 CO -0.02 0.00 -0.45 1.15 -2.27 0.00 0.00 179.45 177.86 2key h THR 67 N -0.71 1.29 -0.01 1.00 2.02 -0.77 -3.18 112.91 112.55 2key h THR 67 Ca 0.00 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 65.54 2key h THR 67 Cb 0.15 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2key h THR 67 CO 0.00 0.53 -0.77 0.18 0.37 0.00 0.00 175.52 175.83 2key n LEU 68 N -4.02 1.35 0.00 2.58 4.77 -0.52 -4.96 117.00 116.20 2key n LEU 68 Ca -0.03 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2key n LEU 68 Cb 0.57 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2key n LEU 68 CO 0.48 0.29 0.00 0.00 -1.33 0.00 0.00 177.39 176.83 2key s ASN 70 N -2.01 6.87 0.76 0.00 0.01 -0.94 -4.93 114.94 114.70 2key s ASN 70 Ca 0.00 1.46 -0.07 0.00 -0.71 0.00 0.00 52.86 53.55 2key s ASN 70 Cb 0.00 -2.45 0.11 0.00 0.41 0.00 0.00 41.25 39.33 2key s ASN 70 CO 0.00 -0.25 1.06 0.00 -1.51 0.00 0.00 177.10 176.41 2key s ALA 71 N -2.02 3.15 0.35 0.60 0.00 -1.26 -3.69 121.76 118.90 2key s ALA 71 Ca 0.56 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 51.33 2key s ALA 71 Cb -0.10 -2.43 0.73 0.00 0.00 0.00 0.00 23.12 21.31 2key s ALA 71 CO 0.16 -1.57 1.93 -0.44 0.00 0.00 0.00 175.76 175.83 2key h ASP 72 N -0.77 0.70 -0.17 0.00 5.19 -1.97 -0.59 116.42 118.80 2key h ASP 72 Ca -0.42 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.05 2key h ASP 72 Cb 1.28 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 40.61 2key h ASP 72 CO 0.49 0.43 -0.12 0.77 -3.12 0.00 0.00 179.24 177.69 2key h SER 73 N 0.78 -0.39 -0.16 6.45 4.64 -2.00 0.28 113.55 123.16 2key h SER 73 Ca 0.36 0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.71 2key h SER 73 Cb 0.38 0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2key h SER 73 CO -0.14 -0.16 -0.14 0.74 -0.87 0.00 0.00 176.83 176.27 2key h THR 74 N -0.12 1.34 -0.95 2.95 2.02 -1.82 -3.25 112.91 113.08 2key h THR 74 Ca 0.10 -1.27 0.06 0.00 0.77 0.00 0.00 66.41 66.08 2key h THR 74 Cb 0.27 1.82 -0.07 0.00 -1.74 0.00 0.00 68.15 68.44 2key h THR 74 CO -0.25 0.38 0.61 0.00 0.37 0.00 0.00 175.52 176.62 2key h ALA 75 N 0.63 1.32 -0.28 6.16 0.00 -0.65 -0.72 119.26 125.71 2key h ALA 75 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2key h ALA 75 Cb 0.66 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2key h ALA 75 CO 0.04 0.38 0.06 1.96 0.00 0.00 0.00 179.25 181.68 2key h GLN 76 N 1.10 0.40 -0.38 0.00 1.08 -0.51 0.14 115.11 116.95 2key h GLN 76 Ca 0.41 -0.06 -0.15 0.00 -1.45 0.00 0.00 58.65 57.41 2key h GLN 76 Cb 0.17 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2key h GLN 76 CO -0.17 0.39 -0.35 0.00 -0.95 0.00 0.00 178.83 177.75 2key h ARG 77 N 0.40 0.87 -0.17 1.46 3.08 -1.18 0.28 114.38 119.12 2key h ARG 77 Ca 0.10 -0.43 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 2key h ARG 77 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2key h ARG 77 CO -0.00 1.07 -0.04 -0.91 -1.07 0.00 0.00 179.97 179.02 2key h ASN 78 N 0.72 0.34 -0.26 7.04 4.21 -0.89 -2.02 115.58 124.72 2key h ASN 78 Ca 0.07 -0.37 -0.05 0.00 1.21 0.00 0.00 56.30 57.16 2key h ASN 78 Cb 0.92 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 38.01 2key h ASN 78 CO 0.08 0.63 0.01 -0.07 -1.29 0.00 0.00 177.43 176.80 2key h LEU 79 N 0.04 0.52 -1.11 1.61 3.38 -0.68 -1.58 115.31 117.49 2key h LEU 79 Ca 0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2key h LEU 79 Cb 0.48 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2key h LEU 79 CO 0.02 0.58 0.29 -1.28 0.09 0.00 0.00 178.44 178.13 2key h SER 80 N 0.53 0.83 -0.21 -0.43 0.87 -0.30 0.12 113.55 114.97 2key h SER 80 Ca 0.12 -0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.46 2key h SER 80 Cb 0.32 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2key h SER 80 CO 0.01 0.72 -0.28 0.74 -0.53 0.00 0.00 176.83 177.49 2key h THR 81 N 0.91 1.28 -0.02 2.23 2.02 -0.56 -2.10 112.91 116.67 2key h THR 81 Ca 0.22 -1.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 2key h THR 81 Cb 0.12 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2key h THR 81 CO -0.03 0.46 0.00 0.40 0.37 0.00 0.00 175.52 176.72 2key h ILE 82 N 0.60 1.23 0.00 3.11 2.04 -0.61 -2.97 117.51 120.91 2key h ILE 82 Ca 0.07 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 2key h ILE 82 Cb 0.78 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 2key h ILE 82 CO 0.06 0.18 -0.01 0.07 0.00 0.00 0.00 178.15 178.45 2key h LYS 83 N -0.24 0.00 0.29 2.37 5.09 -0.70 -0.92 116.57 122.45 2key h LYS 83 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.75 2key h LYS 83 Cb 0.29 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.60 2key h LYS 83 CO 0.00 0.01 -0.27 0.82 -2.09 0.00 0.00 179.45 177.92 2key h ILE 84 N 0.00 0.43 -0.04 0.07 1.08 -1.21 0.51 117.51 118.35 2key h ILE 84 Ca -0.00 0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 64.30 2key h ILE 84 Cb 0.02 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 2key h ILE 84 CO 0.00 0.00 -0.72 0.10 -0.69 0.00 0.00 178.15 176.84 2key h TYR 85 N -0.58 0.35 -0.55 1.37 -0.00 -1.37 -2.04 116.97 114.15 2key h TYR 85 Ca -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 58.73 58.49 2key h TYR 85 Cb 0.53 -0.05 -0.02 0.00 0.00 0.00 0.00 36.73 37.18 2key h TYR 85 CO -0.16 0.89 0.06 0.28 -0.00 0.00 0.00 178.16 179.23 2key h VAL 86 N 0.17 1.26 0.00 -0.90 2.07 -1.14 -2.60 116.25 115.11 2key h VAL 86 Ca -0.02 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2key h VAL 86 Cb 1.29 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2key h VAL 86 CO 0.11 0.36 -0.14 0.28 0.02 0.00 0.00 177.57 178.21 2key h SER 87 N 0.81 0.00 -0.10 0.57 0.02 0.29 0.28 113.55 115.42 2key h SER 87 Ca 0.16 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2key h SER 87 Cb 0.45 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2key h SER 87 CO 0.02 0.14 -0.17 0.00 -1.14 0.00 0.00 176.83 175.67 2key h ALA 88 N 1.86 1.20 0.00 3.77 0.00 -0.99 0.25 119.26 125.34 2key h ALA 88 Ca -0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 2key h ALA 88 Cb 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2key h ALA 88 CO 0.02 0.51 -0.30 0.00 0.00 0.00 0.00 179.25 179.48 2key h ALA 89 N 1.38 0.84 0.02 0.00 0.00 -0.79 -2.90 119.26 117.82 2key h ALA 89 Ca 0.08 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 2key h ALA 89 Cb 0.56 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2key h ALA 89 CO 0.04 0.38 -1.17 0.82 0.00 0.00 0.00 179.25 179.32 2key h ILE 90 N 0.00 1.53 -0.29 0.00 2.04 -0.62 0.02 117.51 120.18 2key h ILE 90 Ca -0.00 -3.24 -0.03 0.00 1.00 0.00 0.00 64.86 62.59 2key h ILE 90 Cb 1.11 2.79 -0.01 0.00 -0.74 0.00 0.00 36.82 39.97 2key h ILE 90 CO 0.04 0.89 0.06 0.11 0.00 0.00 0.00 178.15 179.25 2key h LYS 91 N 0.01 0.47 0.00 2.37 1.79 -0.36 -3.41 116.57 117.45 2key h LYS 91 Ca -0.08 -0.12 -0.15 0.00 -2.18 0.00 0.00 60.65 58.12 2key h LYS 91 Cb 1.85 -0.06 -0.14 0.00 -1.58 0.00 0.00 32.23 32.30 2key h LYS 91 CO 0.13 0.56 -0.28 1.17 -1.08 0.00 0.00 179.45 179.96 2key n LYS 92 N -4.66 0.49 0.00 3.15 4.81 -1.11 -5.08 118.16 115.76 2key n LYS 92 Ca -0.02 -1.27 0.00 0.00 -0.87 0.00 0.00 58.31 56.15 2key n LYS 92 Cb 0.20 -0.87 0.00 0.00 0.02 0.00 0.00 35.03 34.37 2key n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2key n GLY 93 N 1.47 0.30 0.00 3.14 0.00 -0.14 -4.88 105.19 105.09 2key n GLY 93 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2key n GLY 93 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2key n TYR 94 N -0.48 0.00 -1.70 1.61 9.36 -0.44 -5.03 117.16 120.48 2key n TYR 94 Ca 0.00 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.79 2key n TYR 94 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.69 2key n TYR 94 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 2key n MET 95 N 0.00 2.31 -0.04 2.98 2.81 -1.08 -4.93 117.12 119.18 2key n MET 95 Ca 0.00 0.82 -0.21 0.00 -1.81 0.00 0.00 57.70 56.51 2key n MET 95 Cb 0.00 -2.53 -0.13 0.00 -0.71 0.00 0.00 33.22 29.85 2key n MET 95 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2key h GLU 96 N 4.40 0.14 -4.78 0.03 4.39 -1.94 -3.43 114.58 113.38 2key h GLU 96 Ca -0.46 -0.23 -0.29 0.00 0.34 0.00 0.00 59.36 58.73 2key h GLU 96 Cb 1.25 0.09 -0.15 0.00 -0.10 0.00 0.00 28.75 29.84 2key h GLU 96 CO 0.77 1.11 -0.66 0.54 -1.16 0.00 0.00 179.01 179.61 2key s ASN 97 N -6.87 1.15 0.03 1.42 4.22 -1.26 -5.12 114.94 108.51 2key s ASN 97 Ca -0.23 -1.19 -0.08 0.00 -2.14 0.00 0.00 52.86 49.22 2key s ASN 97 Cb 0.04 0.13 -0.05 0.00 1.28 0.00 0.00 41.25 42.65 2key s ASN 97 CO 0.70 -0.59 0.32 1.51 -2.04 0.00 0.00 177.10 177.00 2key s ASP 98 N -3.18 6.56 0.40 3.54 -4.77 -1.26 -5.00 116.67 112.96 2key s ASP 98 Ca 0.25 0.66 0.26 0.00 -3.30 0.00 0.00 52.55 50.43 2key s ASP 98 Cb 0.06 -2.13 0.71 0.00 -1.09 0.00 0.00 42.92 40.48 2key s ASP 98 CO 0.05 0.23 1.73 1.55 0.70 0.00 0.00 175.17 179.43 2key h PRO 99 N 3.94 0.00 0.00 2.11 0.13 -1.92 -3.18 132.00 133.08 2key h PRO 99 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2key h PRO 99 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2key h PRO 99 CO 0.66 0.00 -0.39 1.97 -0.23 0.00 0.00 178.00 180.01 2key n PHE 100 N -2.85 0.55 0.06 1.56 1.16 -1.26 -2.71 117.46 113.97 2key n PHE 100 Ca 0.03 0.16 -0.07 0.00 -1.87 0.00 0.00 57.45 55.70 2key n PHE 100 Cb 0.44 -0.67 0.09 0.00 -1.61 0.00 0.00 39.48 37.72 2key n PHE 100 CO 0.00 0.00 0.00 -0.22 -1.87 0.00 0.00 176.76 174.67 2key h LYS 101 N 0.00 0.34 -0.01 3.97 3.11 -1.98 -3.10 116.57 118.90 2key h LYS 101 Ca 0.00 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 2key h LYS 101 Cb 0.69 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 2key h LYS 101 CO 0.00 0.85 -0.22 -0.25 -2.81 0.00 0.00 179.45 177.02 2key n ASP 102 N -3.88 1.19 -3.66 4.20 8.00 -1.16 -4.28 116.55 116.95 2key n ASP 102 Ca -0.03 -1.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.00 2key n ASP 102 Cb 0.63 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.83 2key n ASP 102 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2key n PHE 103 N -0.44 2.64 -0.98 1.24 7.35 -1.10 -4.20 117.46 121.97 2key n PHE 103 Ca 0.13 -2.36 0.00 0.00 -0.76 0.00 0.00 57.45 54.46 2key n PHE 103 Cb 0.36 -2.11 0.00 0.00 0.35 0.00 0.00 39.48 38.08 2key n PHE 103 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2key n GLY 104 N 4.31 0.21 1.08 7.13 0.00 -1.26 -4.80 105.19 111.86 2key n GLY 104 Ca 0.51 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.64 2key n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2key n LEU 105 N 0.00 3.32 -4.69 0.99 4.77 -1.26 -4.89 117.00 115.25 2key n LEU 105 Ca 0.00 -1.42 -0.37 0.00 -0.03 0.00 0.00 56.01 54.19 2key n LEU 105 Cb 0.28 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 2key n LEU 105 CO 0.00 0.69 0.01 -0.70 -1.33 0.00 0.00 177.39 176.07 2key s GLU 106 N -1.53 4.18 -0.36 3.23 -6.30 -1.26 -4.97 118.70 111.69 2key s GLU 106 Ca 0.35 0.08 0.14 0.00 -2.50 0.00 0.00 54.97 53.05 2key s GLU 106 Cb 0.21 -3.50 0.44 0.00 0.00 0.00 0.00 34.13 31.28 2key s GLU 106 CO 0.30 0.07 0.96 1.58 0.02 0.00 0.00 175.26 178.19 2key n HIS 107 N 4.15 1.63 -2.34 5.30 -0.00 -1.26 -5.05 115.22 117.65 2key n HIS 107 Ca -0.11 -3.02 -0.39 0.00 0.46 0.00 0.00 57.72 54.67 2key n HIS 107 Cb 0.51 -0.32 -0.03 0.00 -0.12 0.00 0.00 29.99 30.03 2key n HIS 107 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2key s HIS 108 N -3.15 2.07 -0.32 1.57 5.04 -1.26 -4.96 115.29 114.28 2key s HIS 108 Ca 0.34 0.19 -0.08 0.00 -1.54 0.00 0.00 55.06 53.97 2key s HIS 108 Cb 0.43 -4.41 0.02 0.00 0.04 0.00 0.00 32.58 28.66 2key s HIS 108 CO -0.03 -2.11 0.12 -1.58 -2.34 0.00 0.00 174.74 168.80 2key s HIS 109 N 7.12 3.20 0.12 3.88 2.46 -1.26 -4.91 115.29 125.90 2key s HIS 109 Ca 0.50 -1.05 0.00 0.00 0.47 0.00 0.00 55.06 54.97 2key s HIS 109 Cb -0.08 -2.30 0.00 0.00 -0.13 0.00 0.00 32.58 30.06 2key s HIS 109 CO 0.12 -0.62 0.00 1.58 -2.47 0.00 0.00 174.74 173.36 2key n HIS 110 N 4.89 -2.88 -2.08 3.88 -0.00 -1.26 -4.88 115.22 112.88 2key n HIS 110 Ca -0.13 1.73 -0.42 0.00 -0.00 0.00 0.00 57.72 58.90 2key n HIS 110 Cb 0.47 -2.98 -0.03 0.00 -0.00 0.00 0.00 29.99 27.45 2key n HIS 110 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2key s HIS 111 N -0.31 2.92 -2.14 1.57 2.46 -1.26 -5.26 115.29 113.27 2key s HIS 111 Ca 0.00 0.71 0.31 0.00 0.47 0.00 0.00 55.06 56.55 2key s HIS 111 Cb 0.00 -3.79 1.67 0.00 -0.13 0.00 0.00 32.58 30.33 2key s HIS 111 CO 0.00 -2.94 2.09 1.58 -2.47 0.00 0.00 174.74 173.00