#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2key n ASN 2 N 0.00 1.71 -4.80 3.17 4.13 -1.26 -4.86 115.26 113.35 2key n ASN 2 Ca 0.00 -1.54 -0.36 0.00 1.68 0.00 0.00 54.58 54.36 2key n ASN 2 Cb 0.00 0.02 -0.07 0.00 -1.54 0.00 0.00 39.78 38.18 2key n ASN 2 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2key s ASN 3 N -2.04 6.14 0.41 6.41 3.84 -1.26 -4.98 114.94 123.46 2key s ASN 3 Ca 0.35 0.35 0.19 0.00 0.21 0.00 0.00 52.86 53.96 2key s ASN 3 Cb 0.21 -1.99 0.87 0.00 -0.55 0.00 0.00 41.25 39.79 2key s ASN 3 CO 0.35 0.34 1.84 -0.65 -2.79 0.00 0.00 177.10 176.18 2key h PRO 4 N 5.48 0.00 -0.77 0.43 0.11 -2.03 -3.47 132.00 131.76 2key h PRO 4 Ca -0.50 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.28 2key h PRO 4 Cb 1.20 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.18 2key h PRO 4 CO 0.62 0.32 -0.30 0.43 -0.21 0.00 0.00 178.00 178.86 2key n SER 5 N -3.71 -5.34 -0.98 -2.05 7.64 -1.26 -4.81 113.62 103.11 2key n SER 5 Ca -0.01 0.40 0.11 0.00 1.01 0.00 0.00 58.87 60.38 2key n SER 5 Cb 0.42 -4.26 0.16 0.00 -1.01 0.00 0.00 64.21 59.51 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 -1.03 3.11 -4.80 6.43 2.03 -1.26 -4.90 116.55 116.13 2key n ASP 6 Ca -0.16 -1.92 -0.36 0.00 0.52 0.00 0.00 54.79 52.87 2key n ASP 6 Cb 0.60 -0.15 -0.07 0.00 -0.72 0.00 0.00 41.12 40.77 2key n ASP 6 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2key s PHE 7 N -1.50 3.50 -0.17 -0.67 -0.12 -1.26 -4.98 117.98 112.78 2key s PHE 7 Ca 0.31 0.42 0.05 0.00 -0.05 0.00 0.00 56.93 57.67 2key s PHE 7 Cb 0.19 -2.05 -0.22 0.00 -0.63 0.00 0.00 43.02 40.31 2key s PHE 7 CO 0.28 0.50 0.16 0.36 -0.05 0.00 0.00 175.22 176.47 2key n LYS 8 N 2.79 0.69 -4.48 1.99 2.85 -1.26 -4.90 118.16 115.84 2key n LYS 8 Ca -0.18 0.17 -0.23 0.00 -1.05 0.00 0.00 58.31 57.03 2key n LYS 8 Cb 0.53 -1.62 -0.11 0.00 -0.65 0.00 0.00 35.03 33.18 2key n LYS 8 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2key s SER 9 N -6.37 2.71 0.22 -5.58 0.01 -1.26 -4.80 113.70 98.64 2key s SER 9 Ca -0.21 -1.35 -0.08 0.00 1.31 0.00 0.00 55.95 55.63 2key s SER 9 Cb 0.07 -0.16 0.29 0.00 0.21 0.00 0.00 66.02 66.44 2key s SER 9 CO 0.74 -0.54 1.81 2.19 0.41 0.00 0.00 173.24 177.85 2key h PHE 10 N 2.07 0.74 0.00 2.43 -0.00 -1.94 0.31 116.94 120.55 2key h PHE 10 Ca -0.41 0.03 -0.03 0.00 -0.00 0.00 0.00 57.97 57.55 2key h PHE 10 Cb 1.24 -0.23 -0.00 0.00 -0.00 0.00 0.00 35.95 36.96 2key h PHE 10 CO 0.62 0.34 -0.15 1.12 -0.00 0.00 0.00 178.31 180.24 2key h HIS 11 N 0.73 0.00 0.09 6.09 2.07 -1.94 0.22 115.15 122.41 2key h HIS 11 Ca 0.33 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.70 2key h HIS 11 Cb 0.24 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.23 2key h HIS 11 CO -0.07 0.15 -0.68 -0.44 -3.07 0.00 0.00 177.93 173.82 2key h ASP 12 N 0.00 0.31 0.26 3.10 3.32 -1.71 -3.17 116.42 118.53 2key h ASP 12 Ca -0.00 -0.94 -0.01 0.00 0.02 0.00 0.00 57.03 56.10 2key h ASP 12 Cb 0.39 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2key h ASP 12 CO 0.02 1.31 -0.12 0.15 -1.72 0.00 0.00 179.24 178.88 2key h PHE 13 N -0.56 -0.32 -0.36 4.55 3.04 -0.43 -2.76 116.94 120.10 2key h PHE 13 Ca -0.13 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.80 2key h PHE 13 Cb 1.46 0.11 -0.02 0.00 2.56 0.00 0.00 35.95 40.06 2key h PHE 13 CO 0.21 -0.18 0.18 0.28 -2.02 0.00 0.00 178.31 176.77 2key h VAL 14 N -0.37 1.12 -0.85 1.41 2.07 -0.76 0.16 116.25 119.04 2key h VAL 14 Ca -0.04 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2key h VAL 14 Cb 0.28 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2key h VAL 14 CO 0.06 0.14 0.49 0.00 0.02 0.00 0.00 177.57 178.28 2key h ALA 15 N 1.71 1.08 0.20 1.67 0.00 -1.46 0.37 119.26 122.83 2key h ALA 15 Ca 0.13 -0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 2key h ALA 15 Cb 0.04 -0.34 0.03 0.00 0.00 0.00 0.00 17.79 17.52 2key h ALA 15 CO -0.02 0.56 -1.38 1.03 0.00 0.00 0.00 179.25 179.44 2key h SER 16 N 1.17 0.78 -0.09 0.00 0.87 -1.03 -3.11 113.55 112.14 2key h SER 16 Ca 0.30 -0.80 -0.19 0.00 -1.23 0.00 0.00 61.79 59.87 2key h SER 16 Cb -0.02 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 2key h SER 16 CO -0.05 1.62 -0.63 0.22 -0.53 0.00 0.00 176.83 177.46 2key h TYR 17 N 0.16 0.90 -0.88 2.24 3.20 -0.52 -1.38 116.97 120.69 2key h TYR 17 Ca -0.22 -0.35 0.01 0.00 3.14 0.00 0.00 58.73 61.31 2key h TYR 17 Cb 2.08 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 40.14 2key h TYR 17 CO 0.11 1.14 0.58 1.98 -1.64 0.00 0.00 178.16 180.33 2key h MET 18 N 0.52 1.17 0.00 1.82 4.05 -0.37 -1.00 114.93 121.11 2key h MET 18 Ca -0.01 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.30 2key h MET 18 Cb 1.21 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 31.75 2key h MET 18 CO 0.13 0.78 -0.18 -0.22 0.23 0.00 0.00 176.91 177.64 2key h LYS 19 N 1.20 0.00 0.54 0.39 3.11 -1.41 -0.98 116.57 119.43 2key h LYS 19 Ca 0.32 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.14 2key h LYS 19 Cb -0.13 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.11 2key h LYS 19 CO -0.07 0.18 -0.26 1.15 -2.81 0.00 0.00 179.45 177.64 2key h THR 20 N 0.00 0.41 -0.01 1.00 2.02 -0.04 -3.05 112.91 113.24 2key h THR 20 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2key h THR 20 Cb 0.82 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2key h THR 20 CO 0.02 0.04 -0.13 0.00 0.37 0.00 0.00 175.52 175.82 2key n TYR 21 N -5.34 0.00 0.30 3.16 0.18 -1.14 -3.58 117.16 110.74 2key n TYR 21 Ca -0.12 0.00 0.16 0.00 1.88 0.00 0.00 57.90 59.82 2key n TYR 21 Cb 0.33 -0.10 0.87 0.00 -0.38 0.00 0.00 39.34 40.05 2key n TYR 21 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2key h SER 22 N 1.29 0.00 -0.93 9.48 0.87 -1.05 -0.99 113.55 122.22 2key h SER 22 Ca 0.00 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.76 2key h SER 22 Cb 0.44 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.32 2key h SER 22 CO 0.00 0.00 0.61 0.08 -0.53 0.00 0.00 176.83 176.99 2key h ARG 23 N 0.00 0.46 -0.23 2.24 0.11 -1.68 -1.04 114.38 114.23 2key h ARG 23 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2key h ARG 23 Cb 0.37 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.35 2key h ARG 23 CO 0.00 0.31 0.00 0.54 0.10 0.00 0.00 179.97 180.92 2key n ARG 24 N -4.55 2.48 -2.99 0.08 1.74 -0.39 -4.95 116.66 108.08 2key n ARG 24 Ca 0.20 -1.79 -0.41 0.00 -0.77 0.00 0.00 57.85 55.08 2key n ARG 24 Cb 0.68 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.86 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 -0.96 4.10 0.93 0.55 1.02 -0.40 -5.05 118.68 118.88 2key s LEU 25 Ca 0.17 0.94 -0.12 0.00 0.02 0.00 0.00 54.13 55.14 2key s LEU 25 Cb 0.09 -3.05 0.15 0.00 0.02 0.00 0.00 46.19 43.40 2key s LEU 25 CO 0.12 -0.41 1.09 -1.61 0.02 0.00 0.00 176.35 175.56 2key s GLU 26 N 2.46 0.97 0.35 1.70 2.02 -1.26 -4.86 118.70 120.08 2key s GLU 26 Ca 0.32 0.83 0.03 0.00 0.02 0.00 0.00 54.97 56.17 2key s GLU 26 Cb -0.16 -1.78 0.64 0.00 0.10 0.00 0.00 34.13 32.94 2key s GLU 26 CO 0.09 -2.44 1.98 0.82 0.02 0.00 0.00 175.26 175.73 2key h ILE 27 N -1.69 1.17 0.43 -1.63 2.04 -1.96 -2.83 117.51 113.03 2key h ILE 27 Ca -0.51 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2key h ILE 27 Cb 1.29 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2key h ILE 27 CO 0.54 0.18 -0.48 1.23 0.00 0.00 0.00 178.15 179.62 2key h GLY 28 N 0.81 -1.23 1.36 5.37 0.00 -1.99 -0.86 103.07 106.53 2key h GLY 28 Ca 0.19 0.58 -0.10 0.00 0.00 0.00 0.00 47.33 48.00 2key h GLY 28 CO -0.03 -0.36 -0.16 0.00 0.00 0.00 0.00 176.54 175.99 2key h THR 29 N -0.92 1.26 -0.31 4.70 1.03 -1.94 -2.80 112.91 113.93 2key h THR 29 Ca -0.05 -1.23 -0.02 0.00 -0.01 0.00 0.00 66.41 65.09 2key h THR 29 Cb 0.81 1.13 -0.01 0.00 -1.07 0.00 0.00 68.15 69.00 2key h THR 29 CO -0.08 0.42 0.10 0.15 -0.01 0.00 0.00 175.52 176.09 2key h PHE 30 N 0.67 0.50 0.00 0.00 3.57 -1.31 -2.72 116.94 117.64 2key h PHE 30 Ca 0.11 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2key h PHE 30 Cb 0.65 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 2key h PHE 30 CO 0.03 0.51 -0.02 0.07 -2.23 0.00 0.00 178.31 176.67 2key h ARG 31 N 0.34 0.00 0.52 1.11 0.11 -1.15 -3.20 114.38 112.12 2key h ARG 31 Ca 0.10 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.15 2key h ARG 31 Cb 0.24 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.33 2key h ARG 31 CO -0.00 0.02 -0.25 0.45 0.10 0.00 0.00 179.97 180.29 2key h HIS 32 N 0.00 -0.65 -0.70 4.08 3.86 -1.21 -3.33 115.15 117.20 2key h HIS 32 Ca -0.00 -0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.04 2key h HIS 32 Cb 0.73 0.21 -0.09 0.00 1.06 0.00 0.00 27.41 29.32 2key h HIS 32 CO 0.00 -0.36 0.20 -2.39 0.86 0.00 0.00 177.93 176.24 2key n HIS 33 N -5.25 2.39 -0.03 2.45 1.44 -1.20 -4.44 115.22 110.58 2key n HIS 33 Ca -0.09 -1.08 -0.14 0.00 -2.01 0.00 0.00 57.72 54.40 2key n HIS 33 Cb 0.30 -0.65 -0.10 0.00 0.12 0.00 0.00 29.99 29.65 2key n HIS 33 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 2key h LYS 34 N 3.07 0.13 0.00 -1.40 3.64 -1.66 -3.30 116.57 117.05 2key h LYS 34 Ca 0.20 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2key h LYS 34 Cb 2.26 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 34.10 2key h LYS 34 CO 0.68 0.76 -0.16 0.77 -2.27 0.00 0.00 179.45 179.24 2key h SER 35 N -0.47 0.00 0.61 4.20 0.02 -1.82 -3.19 113.55 112.90 2key h SER 35 Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2key h SER 35 Cb 0.79 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2key h SER 35 CO 0.03 0.16 -0.49 0.00 -1.14 0.00 0.00 176.83 175.38 2key h MET 37 N -1.07 0.00 0.00 0.00 1.85 -1.74 -3.22 114.93 110.76 2key h MET 37 Ca -0.08 0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 58.92 2key h MET 37 Cb 0.89 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.91 2key h MET 37 CO 0.00 0.44 -0.42 0.00 -0.40 0.00 0.00 176.91 176.53 2key h ARG 38 N 0.00 0.00 0.00 0.39 3.08 -1.44 -2.03 114.38 114.38 2key h ARG 38 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2key h ARG 38 Cb 0.94 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 2key h ARG 38 CO 0.06 0.42 -0.13 1.57 -1.07 0.00 0.00 179.97 180.82 2key h LYS 39 N 0.00 0.00 -0.05 0.04 2.10 -1.22 -1.90 116.57 115.55 2key h LYS 39 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2key h LYS 39 Cb 0.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 2key h LYS 39 CO 0.05 0.13 0.00 0.34 -2.00 0.00 0.00 179.45 177.97 2key n PHE 40 N -3.24 0.05 1.53 0.07 7.35 -0.78 -4.11 117.46 118.33 2key n PHE 40 Ca 0.01 -0.02 0.05 0.00 -0.76 0.00 0.00 57.45 56.72 2key n PHE 40 Cb 0.41 0.00 0.28 0.00 0.35 0.00 0.00 39.48 40.52 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 0.09 0.77 -0.35 -4.13 4.81 -0.71 -1.55 118.16 117.09 2key n LYS 41 Ca 0.19 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.75 2key n LYS 41 Cb 0.32 -1.20 0.31 0.00 0.02 0.00 0.00 35.03 34.49 2key n LYS 41 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2key n GLU 42 N -0.70 2.69 -2.99 1.64 1.02 -1.26 -4.79 120.64 116.26 2key n GLU 42 Ca 0.07 -2.62 -0.43 0.00 -0.02 0.00 0.00 57.16 54.16 2key n GLU 42 Cb 0.03 -1.57 -0.05 0.00 -0.02 0.00 0.00 31.44 29.84 2key n GLU 42 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2key s TYR 43 N -1.09 2.88 0.28 -0.32 5.04 -0.60 -4.93 117.35 118.62 2key s TYR 43 Ca 0.48 -0.44 -0.02 0.00 -2.44 0.00 0.00 57.07 54.65 2key s TYR 43 Cb 0.25 -3.92 0.39 0.00 0.35 0.00 0.00 41.96 39.03 2key s TYR 43 CO 0.33 -1.30 1.85 0.00 -1.34 0.00 0.00 175.55 175.10 2key n GLU 45 N -4.30 1.85 0.00 0.00 1.02 -1.26 -5.06 120.64 112.89 2key n GLU 45 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2key n GLU 45 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.61 2key n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2key n GLY 46 N 5.00 1.56 3.59 0.62 0.00 -1.26 -4.93 105.19 109.77 2key n GLY 46 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 2key n GLY 46 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2key s LEU 47 N 0.00 -0.51 0.00 0.99 0.20 -1.26 -5.00 118.68 113.10 2key s LEU 47 Ca 0.00 0.79 0.07 0.00 0.69 0.00 0.00 54.13 55.68 2key s LEU 47 Cb 0.00 1.71 0.07 0.00 -0.43 0.00 0.00 46.19 47.54 2key s LEU 47 CO 0.00 -0.12 0.60 0.00 -0.29 0.00 0.00 176.35 176.53 2key n GLN 48 N 3.97 0.71 -0.26 1.98 3.00 -1.26 -3.70 117.38 121.82 2key n GLN 48 Ca -0.16 -2.47 0.10 0.00 -0.01 0.00 0.00 57.00 54.45 2key n GLN 48 Cb 0.56 -0.14 0.35 0.00 0.00 0.00 0.00 30.24 31.01 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 0.13 0.86 -0.01 1.08 -0.00 -1.96 -1.06 116.94 115.99 2key h PHE 49 Ca -0.22 0.02 -0.14 0.00 -0.00 0.00 0.00 57.97 57.64 2key h PHE 49 Cb 0.98 -0.27 -0.02 0.00 -0.00 0.00 0.00 35.95 36.64 2key h PHE 49 CO 0.00 0.36 -0.65 1.25 -0.00 0.00 0.00 178.31 179.27 2key h HIS 50 N 0.76 0.05 0.00 6.09 6.17 -2.02 -2.96 115.15 123.24 2key h HIS 50 Ca 0.42 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.48 2key h HIS 50 Cb 0.56 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.48 2key h HIS 50 CO -0.00 0.67 -0.37 0.39 0.71 0.00 0.00 177.93 179.33 2key n GLU 51 N -3.78 0.08 -2.26 5.26 4.71 -0.49 -4.68 120.64 119.49 2key n GLU 51 Ca -0.01 0.03 -0.36 0.00 -0.01 0.00 0.00 57.16 56.81 2key n GLU 51 Cb 0.64 -1.56 -0.04 0.00 -1.01 0.00 0.00 31.44 29.48 2key n GLU 51 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2key s LEU 52 N -3.36 3.27 0.25 -4.62 1.98 -0.67 -4.86 118.68 110.68 2key s LEU 52 Ca 0.11 -0.51 0.07 0.00 -2.89 0.00 0.00 54.13 50.91 2key s LEU 52 Cb 0.17 -2.55 -0.05 0.00 0.66 0.00 0.00 46.19 44.41 2key s LEU 52 CO 0.65 -2.20 -0.09 0.42 -1.89 0.00 0.00 176.35 173.24 2key s THR 53 N 7.84 1.72 0.34 3.68 -4.23 -1.26 -4.86 115.64 118.87 2key s THR 53 Ca 0.57 -2.17 0.03 0.00 -1.18 0.00 0.00 61.69 58.94 2key s THR 53 Cb -0.07 -2.31 0.28 0.00 1.34 0.00 0.00 72.50 71.74 2key s THR 53 CO 0.06 -0.40 1.97 -0.08 -0.54 0.00 0.00 174.62 175.63 2key h GLU 54 N 2.37 0.83 -0.75 3.99 4.22 -1.92 -2.71 114.58 120.61 2key h GLU 54 Ca -0.39 -0.05 0.05 0.00 0.08 0.00 0.00 59.36 59.05 2key h GLU 54 Cb 1.23 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 2key h GLU 54 CO 0.65 0.55 0.45 0.22 -2.18 0.00 0.00 179.01 178.71 2key h ASP 55 N 0.86 0.71 0.14 1.04 3.58 -1.95 0.60 116.42 121.41 2key h ASP 55 Ca 0.30 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 2key h ASP 55 Cb 0.11 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2key h ASP 55 CO -0.09 0.47 -0.07 0.15 -2.88 0.00 0.00 179.24 176.82 2key h PHE 56 N 0.85 -0.18 -0.48 0.28 3.57 -1.81 0.13 116.94 119.30 2key h PHE 56 Ca 0.32 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 2key h PHE 56 Cb 0.13 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2key h PHE 56 CO -0.05 -0.02 0.29 -0.07 -2.23 0.00 0.00 178.31 176.24 2key h LEU 57 N -0.31 0.57 0.02 0.59 -0.00 -1.28 -0.09 115.31 114.81 2key h LEU 57 Ca -0.02 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2key h LEU 57 Cb 0.24 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2key h LEU 57 CO 0.03 0.45 -0.01 -0.09 -0.00 0.00 0.00 178.44 178.82 2key h ARG 58 N 0.64 -0.03 -0.58 1.13 2.43 0.28 0.56 114.38 118.82 2key h ARG 58 Ca 0.17 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2key h ARG 58 Cb -0.02 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2key h ARG 58 CO -0.03 0.22 0.12 0.22 -1.51 0.00 0.00 179.97 178.99 2key h ASP 59 N -0.28 0.85 -0.06 -3.80 3.58 -0.67 -1.86 116.42 114.18 2key h ASP 59 Ca -0.00 -0.17 -0.17 0.00 0.42 0.00 0.00 57.03 57.11 2key h ASP 59 Cb 0.27 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 2key h ASP 59 CO 0.01 0.84 -0.55 0.22 -2.88 0.00 0.00 179.24 176.88 2key h TYR 60 N 0.87 0.81 0.16 0.28 3.20 -0.90 0.95 116.97 122.34 2key h TYR 60 Ca 0.18 -0.29 0.01 0.00 3.14 0.00 0.00 58.73 61.77 2key h TYR 60 Cb 0.34 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2key h TYR 60 CO 0.02 1.05 -0.19 1.25 -1.64 0.00 0.00 178.16 178.65 2key h LEU 61 N 0.49 -0.53 -0.13 2.82 5.85 -0.57 0.01 115.31 123.26 2key h LEU 61 Ca 0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2key h LEU 61 Cb 1.12 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2key h LEU 61 CO 0.11 -0.28 0.08 0.40 -0.34 0.00 0.00 178.44 178.41 2key h ILE 62 N -0.40 1.05 -0.89 4.05 2.04 -1.25 -1.99 117.51 120.12 2key h ILE 62 Ca 0.01 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.88 2key h ILE 62 Cb 0.39 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 2key h ILE 62 CO -0.07 0.05 0.51 0.22 0.00 0.00 0.00 178.15 178.86 2key h TYR 63 N 0.16 0.92 -0.32 1.37 3.20 -0.62 0.62 116.97 122.30 2key h TYR 63 Ca 0.05 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.79 2key h TYR 63 Cb 0.00 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 37.99 2key h TYR 63 CO -0.06 0.32 -0.41 1.98 -1.64 0.00 0.00 178.16 178.35 2key h MET 64 N 0.80 0.84 0.00 1.82 4.05 -0.67 0.21 114.93 121.98 2key h MET 64 Ca 0.45 -0.48 -0.11 0.00 -0.28 0.00 0.00 59.70 59.28 2key h MET 64 Cb 0.51 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 2key h MET 64 CO -0.29 1.12 -0.79 1.57 0.23 0.00 0.00 176.91 178.75 2key h LYS 65 N 0.62 0.00 0.00 0.39 2.10 -0.72 -1.26 116.57 117.71 2key h LYS 65 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2key h LYS 65 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2key h LYS 65 CO 0.10 0.38 -0.42 1.17 -2.00 0.00 0.00 179.45 178.68 2key n LYS 66 N -3.08 0.29 0.12 0.07 4.81 0.21 -3.32 118.16 117.27 2key n LYS 66 Ca -0.02 0.31 -0.23 0.00 -0.87 0.00 0.00 58.31 57.51 2key n LYS 66 Cb 0.75 -1.23 -0.14 0.00 0.02 0.00 0.00 35.03 34.43 2key n LYS 66 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2key h THR 67 N -0.61 1.32 0.00 3.15 2.02 -1.14 -3.22 112.91 114.43 2key h THR 67 Ca 0.00 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.50 2key h THR 67 Cb 0.42 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 2key h THR 67 CO 0.00 0.80 -0.62 0.18 0.37 0.00 0.00 175.52 176.25 2key n LEU 68 N -3.71 0.66 -3.12 2.58 4.77 -0.65 -5.01 117.00 112.52 2key n LEU 68 Ca -0.14 0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 2key n LEU 68 Cb 1.05 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.96 2key n LEU 68 CO 0.59 -0.03 0.03 0.00 -1.33 0.00 0.00 177.39 176.65 2key s ASN 70 N -2.51 3.51 0.66 0.00 0.02 -0.58 -4.93 114.94 111.12 2key s ASN 70 Ca 0.20 -1.10 -0.11 0.00 -1.02 0.00 0.00 52.86 50.83 2key s ASN 70 Cb -0.04 -0.30 -0.01 0.00 0.02 0.00 0.00 41.25 40.93 2key s ASN 70 CO 0.80 -0.09 1.06 0.00 0.02 0.00 0.00 177.10 178.89 2key s ALA 71 N -2.61 3.00 0.14 0.60 0.00 -1.26 -4.44 121.76 117.19 2key s ALA 71 Ca 0.30 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 51.80 2key s ALA 71 Cb -0.01 -3.01 -0.00 0.00 0.00 0.00 0.00 23.12 20.10 2key s ALA 71 CO 0.15 -0.95 1.78 0.22 0.00 0.00 0.00 175.76 176.96 2key h ASP 72 N -0.49 0.27 0.68 0.00 3.58 -1.99 0.36 116.42 118.83 2key h ASP 72 Ca -0.45 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.01 2key h ASP 72 Cb 1.23 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.23 2key h ASP 72 CO 0.63 0.20 -0.00 0.28 -2.88 0.00 0.00 179.24 177.46 2key h SER 73 N 0.35 0.00 0.04 2.28 0.02 -1.99 -0.90 113.55 113.35 2key h SER 73 Ca 0.12 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 2key h SER 73 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2key h SER 73 CO -0.07 0.00 -0.69 0.74 -1.14 0.00 0.00 176.83 175.68 2key h THR 74 N 0.00 1.40 -0.25 -2.27 2.02 -1.68 -3.14 112.91 108.99 2key h THR 74 Ca -0.00 -2.34 -0.02 0.00 0.77 0.00 0.00 66.41 64.82 2key h THR 74 Cb 0.35 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 2key h THR 74 CO 0.00 0.57 0.09 0.00 0.37 0.00 0.00 175.52 176.55 2key h ALA 75 N -0.12 0.32 -0.62 6.16 0.00 -0.70 -1.76 119.26 122.53 2key h ALA 75 Ca -0.16 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2key h ALA 75 Cb 1.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2key h ALA 75 CO -0.02 -0.08 0.41 1.96 0.00 0.00 0.00 179.25 181.53 2key h GLN 76 N 0.24 0.81 -0.50 0.00 1.08 -1.35 -0.27 115.11 115.12 2key h GLN 76 Ca 0.08 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.14 2key h GLN 76 Cb 0.19 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 2key h GLN 76 CO -0.01 0.54 -0.05 -0.09 -0.95 0.00 0.00 178.83 178.27 2key h ARG 77 N 0.84 0.92 -0.28 1.46 2.43 -1.40 -0.68 114.38 117.66 2key h ARG 77 Ca 0.23 -0.32 -0.15 0.00 -0.81 0.00 0.00 59.98 58.93 2key h ARG 77 Cb -0.08 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2key h ARG 77 CO -0.05 0.97 -0.43 -0.97 -1.51 0.00 0.00 179.97 177.97 2key h ASN 78 N 0.77 0.76 -0.13 -3.80 -1.24 -0.76 -2.74 115.58 108.45 2key h ASN 78 Ca 0.13 -0.36 -0.07 0.00 0.71 0.00 0.00 56.30 56.72 2key h ASN 78 Cb 0.59 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.41 2key h ASN 78 CO 0.04 1.09 -0.11 -0.07 -1.29 0.00 0.00 177.43 177.09 2key h LEU 79 N 0.57 0.44 -2.83 0.34 3.38 -0.88 -2.18 115.31 114.16 2key h LEU 79 Ca 0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2key h LEU 79 Cb 0.98 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2key h LEU 79 CO 0.09 0.59 -0.00 0.28 0.09 0.00 0.00 178.44 179.49 2key h SER 80 N 0.43 0.00 -0.12 -0.43 0.02 -0.80 0.17 113.55 112.83 2key h SER 80 Ca 0.08 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.89 2key h SER 80 Cb 0.45 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.00 2key h SER 80 CO 0.03 0.00 -0.50 0.74 -1.14 0.00 0.00 176.83 175.96 2key h THR 81 N 0.00 1.36 -0.09 -2.27 2.02 -1.39 -2.44 112.91 110.09 2key h THR 81 Ca -0.00 -1.80 -0.13 0.00 0.77 0.00 0.00 66.41 65.25 2key h THR 81 Cb 0.00 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2key h THR 81 CO 0.00 0.54 -0.53 0.40 0.37 0.00 0.00 175.52 176.30 2key h ILE 82 N 0.16 1.36 -0.98 3.11 2.04 -1.41 -2.94 117.51 118.86 2key h ILE 82 Ca -0.03 -1.82 0.17 0.00 1.00 0.00 0.00 64.86 64.19 2key h ILE 82 Cb 1.13 1.88 -0.09 0.00 -0.74 0.00 0.00 36.82 39.00 2key h ILE 82 CO 0.10 0.54 0.61 0.50 0.00 0.00 0.00 178.15 179.91 2key h LYS 83 N 0.20 0.73 -0.84 2.37 3.64 -0.57 -0.11 116.57 121.99 2key h LYS 83 Ca 0.00 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2key h LYS 83 Cb 1.01 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.61 2key h LYS 83 CO 0.08 0.48 0.55 0.82 -2.27 0.00 0.00 179.45 179.12 2key h ILE 84 N 0.75 1.08 0.03 2.00 1.08 -1.24 0.88 117.51 122.08 2key h ILE 84 Ca 0.53 -0.33 -0.00 0.00 -0.39 0.00 0.00 64.86 64.67 2key h ILE 84 Cb 0.84 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 2key h ILE 84 CO -0.30 0.18 -0.01 0.22 -0.69 0.00 0.00 178.15 177.54 2key h TYR 85 N 0.97 -0.03 0.47 1.37 3.20 -1.17 -1.92 116.97 119.85 2key h TYR 85 Ca 0.35 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.21 2key h TYR 85 Cb 0.16 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 2key h TYR 85 CO -0.00 0.37 -0.28 0.28 -1.64 0.00 0.00 178.16 176.89 2key h VAL 86 N -0.45 0.42 -0.49 1.81 2.07 -0.68 -2.02 116.25 116.91 2key h VAL 86 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2key h VAL 86 Cb 0.42 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2key h VAL 86 CO 0.01 0.00 0.23 0.28 0.02 0.00 0.00 177.57 178.11 2key h SER 87 N -0.71 0.61 -0.06 0.57 0.02 0.69 -0.98 113.55 113.68 2key h SER 87 Ca -0.05 -0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.70 2key h SER 87 Cb 0.58 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2key h SER 87 CO 0.06 0.52 -0.44 0.00 -1.14 0.00 0.00 176.83 175.83 2key h ALA 88 N 1.58 0.78 0.00 3.77 0.00 -1.25 -1.14 119.26 123.00 2key h ALA 88 Ca 0.17 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2key h ALA 88 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2key h ALA 88 CO -0.02 0.66 -0.36 0.00 0.00 0.00 0.00 179.25 179.53 2key h ALA 89 N 1.03 0.97 0.07 0.00 0.00 -0.52 -2.36 119.26 118.45 2key h ALA 89 Ca 0.03 -0.33 -0.27 0.00 0.00 0.00 0.00 54.91 54.35 2key h ALA 89 Cb 0.96 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2key h ALA 89 CO 0.09 0.45 -1.33 0.82 0.00 0.00 0.00 179.25 179.28 2key h ILE 90 N 0.00 1.37 -0.19 0.00 2.04 -1.09 0.28 117.51 119.91 2key h ILE 90 Ca -0.00 -3.04 -0.07 0.00 1.00 0.00 0.00 64.86 62.74 2key h ILE 90 Cb 0.91 2.79 -0.00 0.00 -0.74 0.00 0.00 36.82 39.78 2key h ILE 90 CO 0.05 0.84 -0.16 0.50 0.00 0.00 0.00 178.15 179.38 2key h LYS 91 N 0.04 0.45 0.00 2.37 3.11 -0.95 -3.41 116.57 118.19 2key h LYS 91 Ca -0.15 -0.23 -0.19 0.00 -2.81 0.00 0.00 60.65 57.27 2key h LYS 91 Cb 1.93 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 33.02 2key h LYS 91 CO 0.15 0.79 -0.39 1.17 -2.81 0.00 0.00 179.45 178.36 2key n LYS 92 N -4.49 0.67 0.00 1.90 4.81 -0.91 -5.06 118.16 115.08 2key n LYS 92 Ca -0.05 -1.54 0.00 0.00 -0.87 0.00 0.00 58.31 55.85 2key n LYS 92 Cb 0.38 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 34.26 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 1.46 -0.07 0.16 3.14 0.00 -0.45 -4.84 105.19 104.60 2key n GLY 93 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.50 -0.18 -2.41 1.61 4.19 0.85 -5.02 117.16 114.71 2key n TYR 94 Ca 0.00 0.00 -0.41 0.00 3.31 0.00 0.00 57.90 60.80 2key n TYR 94 Cb 0.00 0.04 -0.04 0.00 0.49 0.00 0.00 39.34 39.83 2key n TYR 94 CO 0.00 0.00 0.00 -1.64 0.91 0.00 0.00 176.86 176.13 2key s MET 95 N -1.08 4.55 -0.24 2.98 -1.94 -1.00 -4.96 119.30 117.61 2key s MET 95 Ca 0.00 1.86 -0.13 0.00 -1.71 0.00 0.00 55.69 55.71 2key s MET 95 Cb 0.00 -3.21 -0.16 0.00 2.01 0.00 0.00 34.83 33.47 2key s MET 95 CO 0.00 0.04 -0.10 0.39 -0.01 0.00 0.00 175.02 175.34 2key n GLU 96 N 1.84 0.61 -4.15 2.03 1.02 -1.26 -4.18 120.64 116.55 2key n GLU 96 Ca 0.02 0.33 -0.24 0.00 -0.02 0.00 0.00 57.16 57.25 2key n GLU 96 Cb 0.45 -1.59 -0.06 0.00 -0.02 0.00 0.00 31.44 30.22 2key n GLU 96 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2key s ASN 97 N -7.11 5.27 0.15 1.62 2.20 -1.26 -5.02 114.94 110.78 2key s ASN 97 Ca -0.34 -0.30 0.06 0.00 -0.94 0.00 0.00 52.86 51.35 2key s ASN 97 Cb 0.11 -1.28 -0.04 0.00 -2.00 0.00 0.00 41.25 38.04 2key s ASN 97 CO 0.57 0.02 0.05 1.51 -2.94 0.00 0.00 177.10 176.30 2key s ASP 98 N -3.48 5.11 0.49 3.54 -4.77 -1.26 -5.02 116.67 111.28 2key s ASP 98 Ca 0.31 -0.24 0.28 0.00 -3.30 0.00 0.00 52.55 49.60 2key s ASP 98 Cb -0.08 -1.22 0.85 0.00 -1.09 0.00 0.00 42.92 41.38 2key s ASP 98 CO 0.23 0.10 1.80 1.55 0.70 0.00 0.00 175.17 179.55 2key h PRO 99 N 2.79 0.00 -0.00 2.11 0.13 -1.93 -3.14 132.00 131.96 2key h PRO 99 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2key h PRO 99 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2key h PRO 99 CO 0.60 0.01 -0.15 1.97 -0.23 0.00 0.00 178.00 180.20 2key n PHE 100 N -3.10 0.00 -0.21 1.56 1.16 -1.26 -1.78 117.46 113.83 2key n PHE 100 Ca 0.02 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.54 2key n PHE 100 Cb 0.42 -0.21 0.03 0.00 -1.61 0.00 0.00 39.48 38.11 2key n PHE 100 CO 0.00 0.00 0.00 0.87 -1.87 0.00 0.00 176.76 175.76 2key h LYS 101 N 0.54 0.83 -0.37 3.97 1.79 -1.94 -3.14 116.57 118.24 2key h LYS 101 Ca 0.00 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2key h LYS 101 Cb 0.40 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2key h LYS 101 CO 0.00 0.63 0.00 -0.25 -1.08 0.00 0.00 179.45 178.75 2key n ASP 102 N -4.58 3.11 -4.56 0.86 9.92 -1.10 -4.63 116.55 115.57 2key n ASP 102 Ca 0.04 -1.91 -0.33 0.00 -0.53 0.00 0.00 54.79 52.06 2key n ASP 102 Cb 0.09 -0.24 -0.04 0.00 -0.64 0.00 0.00 41.12 40.28 2key n ASP 102 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2key s PHE 103 N -1.14 2.14 0.00 1.24 5.36 -0.74 -1.89 117.98 122.95 2key s PHE 103 Ca 0.31 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 2key s PHE 103 Cb 0.17 -4.32 0.00 0.00 -0.34 0.00 0.00 43.02 38.53 2key s PHE 103 CO 0.23 -1.78 0.00 0.41 -1.46 0.00 0.00 175.22 172.62 2key n GLY 104 N 6.71 0.68 2.22 13.12 0.00 -1.26 -4.96 105.19 121.70 2key n GLY 104 Ca 0.38 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 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 0.07 -4.56 0.99 4.77 -0.79 -5.08 117.00 112.39 2key n LEU 105 Ca 0.00 -4.65 -0.39 0.00 -0.03 0.00 0.00 56.01 50.94 2key n LEU 105 Cb 0.00 0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 2key n LEU 105 CO 0.00 2.09 1.68 -1.83 -1.33 0.00 0.00 177.39 178.00 2key s GLU 106 N -1.22 2.71 0.00 3.23 1.03 -1.21 -4.23 118.70 119.01 2key s GLU 106 Ca 0.35 1.01 0.00 0.00 0.03 0.00 0.00 54.97 56.37 2key s GLU 106 Cb 0.20 -4.38 0.00 0.00 -0.80 0.00 0.00 34.13 29.15 2key s GLU 106 CO -0.11 -2.61 0.08 1.58 -1.33 0.00 0.00 175.26 172.87 2key n HIS 107 N 12.75 0.00 -1.86 4.83 -0.00 -1.26 -5.01 115.22 124.67 2key n HIS 107 Ca 0.25 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 58.12 2key n HIS 107 Cb 0.51 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.34 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 -0.03 1.48 0.00 1.57 5.04 -1.26 -4.36 115.29 117.72 2key s HIS 108 Ca 0.00 1.13 0.00 0.00 -1.54 0.00 0.00 55.06 54.65 2key s HIS 108 Cb 0.00 -3.85 0.00 0.00 0.04 0.00 0.00 32.58 28.77 2key s HIS 108 CO 0.00 -2.06 0.32 1.58 -2.34 0.00 0.00 174.74 172.24 2key n HIS 109 N 14.85 0.00 0.28 3.88 -0.00 -1.26 -4.92 115.22 128.05 2key n HIS 109 Ca 0.34 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 58.18 2key n HIS 109 Cb 0.50 0.19 0.21 0.00 -0.00 0.00 0.00 29.99 30.88 2key n HIS 109 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2key h HIS 110 N 0.00 0.00 -3.59 1.57 2.76 -2.05 -3.41 115.15 110.43 2key h HIS 110 Ca 0.00 0.00 -0.66 0.00 -2.20 0.00 0.00 60.37 57.51 2key h HIS 110 Cb 1.02 0.00 -0.16 0.00 1.55 0.00 0.00 27.41 29.81 2key h HIS 110 CO -0.14 0.00 -0.10 -1.58 -1.30 0.00 0.00 177.93 174.80 2key s HIS 111 N -3.20 3.16 0.00 5.26 5.65 -1.26 -5.33 115.29 119.57 2key s HIS 111 Ca 0.07 -0.04 0.00 0.00 0.25 0.00 0.00 55.06 55.34 2key s HIS 111 Cb 0.06 -2.94 0.00 0.00 -1.18 0.00 0.00 32.58 28.52 2key s HIS 111 CO 0.66 -0.62 0.27 1.58 -0.65 0.00 0.00 174.74 175.98