#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 -0.28 0.35 6.12 2.47 -1.26 -5.15 114.94 117.18 2key s ASN 2 Ca 0.00 -0.47 -0.27 0.00 0.42 0.00 0.00 52.86 52.55 2key s ASN 2 Cb 0.00 0.60 -0.09 0.00 -1.45 0.00 0.00 41.25 40.30 2key s ASN 2 CO 0.00 -1.08 1.14 0.20 -3.72 0.00 0.00 177.10 173.64 2key s ASN 3 N -2.87 6.87 0.11 -4.21 -0.87 -1.26 -5.05 114.94 107.66 2key s ASN 3 Ca 0.09 2.30 0.00 0.00 -1.57 0.00 0.00 52.86 53.68 2key s ASN 3 Cb -0.01 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 2key s ASN 3 CO -0.02 -0.43 0.00 -0.81 -2.57 0.00 0.00 177.10 173.27 2key n PRO 4 N 0.54 1.59 -0.78 -0.60 -0.04 -1.26 -4.96 135.00 129.49 2key n PRO 4 Ca 0.02 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.53 2key n PRO 4 Cb 0.46 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 34.09 2key n PRO 4 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2key n SER 5 N -1.68 1.65 -0.42 3.54 7.64 -1.26 -4.72 113.62 118.36 2key n SER 5 Ca 0.00 -3.59 0.10 0.00 1.01 0.00 0.00 58.87 56.39 2key n SER 5 Cb 0.00 -0.49 0.39 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.85 1.27 -4.78 6.43 2.03 -1.26 -4.87 116.55 114.51 2key n ASP 6 Ca 0.17 -1.67 -0.37 0.00 0.52 0.00 0.00 54.79 53.45 2key n ASP 6 Cb 0.77 -0.09 -0.06 0.00 -0.72 0.00 0.00 41.12 41.03 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 -1.82 3.51 -0.09 -0.67 0.40 -1.26 -4.96 117.98 113.08 2key s PHE 7 Ca 0.30 1.72 0.21 0.00 -0.60 0.00 0.00 56.93 58.56 2key s PHE 7 Cb 0.16 -3.00 -0.26 0.00 0.51 0.00 0.00 43.02 40.42 2key s PHE 7 CO 0.24 -0.14 0.56 0.36 0.70 0.00 0.00 175.22 176.94 2key n LYS 8 N 0.26 0.65 -3.96 0.44 2.85 -1.26 -4.78 118.16 112.36 2key n LYS 8 Ca 0.03 -0.10 -0.35 0.00 -1.05 0.00 0.00 58.31 56.84 2key n LYS 8 Cb 0.50 -1.59 -0.06 0.00 -0.65 0.00 0.00 35.03 33.23 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 -4.84 6.21 0.17 -5.58 0.01 -1.26 -4.84 113.70 103.57 2key s SER 9 Ca -0.07 0.38 -0.14 0.00 1.31 0.00 0.00 55.95 57.43 2key s SER 9 Cb 0.12 -1.95 0.08 0.00 0.21 0.00 0.00 66.02 64.48 2key s SER 9 CO 0.87 0.36 1.80 2.19 0.41 0.00 0.00 173.24 178.87 2key h PHE 10 N 4.61 0.50 0.00 2.43 -0.00 -1.92 0.26 116.94 122.82 2key h PHE 10 Ca -0.52 0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 57.45 2key h PHE 10 Cb 1.21 -0.16 -0.00 0.00 -0.00 0.00 0.00 35.95 37.00 2key h PHE 10 CO 0.71 0.28 -0.06 1.12 -0.00 0.00 0.00 178.31 180.36 2key h HIS 11 N 0.54 0.00 0.00 6.09 2.07 -1.89 -0.45 115.15 121.52 2key h HIS 11 Ca 0.19 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.67 2key h HIS 11 Cb 0.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.01 2key h HIS 11 CO -0.07 0.06 -0.22 -0.44 -3.07 0.00 0.00 177.93 174.19 2key h ASP 12 N 0.00 0.00 -0.29 3.10 5.19 -1.68 -3.22 116.42 119.52 2key h ASP 12 Ca -0.00 -0.92 0.01 0.00 -0.62 0.00 0.00 57.03 55.50 2key h ASP 12 Cb 0.48 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 2key h ASP 12 CO 0.01 1.09 0.19 0.15 -3.12 0.00 0.00 179.24 177.55 2key h PHE 13 N -0.99 0.35 -0.93 4.55 3.04 -0.23 -1.92 116.94 120.80 2key h PHE 13 Ca -0.06 0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.92 2key h PHE 13 Cb 1.06 -0.12 -0.05 0.00 2.56 0.00 0.00 35.95 39.40 2key h PHE 13 CO 0.25 0.22 0.62 0.28 -2.02 0.00 0.00 178.31 177.65 2key h VAL 14 N 0.38 1.21 -0.63 1.41 2.07 -1.26 0.31 116.25 119.73 2key h VAL 14 Ca 0.11 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 2key h VAL 14 Cb -0.03 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.58 2key h VAL 14 CO -0.03 0.23 0.16 0.00 0.02 0.00 0.00 177.57 177.94 2key h ALA 15 N 1.36 1.08 -0.06 1.67 0.00 -1.44 0.19 119.26 122.05 2key h ALA 15 Ca 0.35 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 2key h ALA 15 Cb -0.09 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.46 2key h ALA 15 CO -0.09 0.61 -0.65 1.03 0.00 0.00 0.00 179.25 180.15 2key h SER 16 N 0.95 0.68 0.02 0.00 0.87 -0.82 -2.33 113.55 112.92 2key h SER 16 Ca 0.20 -0.69 -0.11 0.00 -1.23 0.00 0.00 61.79 59.96 2key h SER 16 Cb 0.33 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2key h SER 16 CO -0.00 1.27 -0.36 0.22 -0.53 0.00 0.00 176.83 177.43 2key h TYR 17 N 0.15 0.54 -0.50 2.24 5.03 -0.79 -0.87 116.97 122.76 2key h TYR 17 Ca -0.06 -0.14 -0.05 0.00 2.58 0.00 0.00 58.73 61.06 2key h TYR 17 Cb 1.31 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 39.45 2key h TYR 17 CO 0.12 0.76 0.13 1.98 -1.32 0.00 0.00 178.16 179.83 2key h MET 18 N 0.39 0.76 -0.06 1.82 4.05 -0.61 -1.07 114.93 120.22 2key h MET 18 Ca 0.04 -0.15 -0.11 0.00 -0.28 0.00 0.00 59.70 59.21 2key h MET 18 Cb 0.81 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 2key h MET 18 CO 0.07 0.69 -0.45 -0.22 0.23 0.00 0.00 176.91 177.22 2key h LYS 19 N 0.74 0.13 0.59 0.39 3.11 -0.84 -2.02 116.57 118.68 2key h LYS 19 Ca 0.17 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 57.91 2key h LYS 19 Cb 0.27 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.50 2key h LYS 19 CO -0.00 0.57 -0.29 1.15 -2.81 0.00 0.00 179.45 178.07 2key h THR 20 N 0.11 0.33 -0.22 1.00 2.02 0.13 -3.05 112.91 113.24 2key h THR 20 Ca 0.01 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2key h THR 20 Cb 0.85 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2key h THR 20 CO 0.07 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.99 2key n TYR 21 N -5.37 0.28 0.04 3.16 4.11 -0.96 -3.73 117.16 114.70 2key n TYR 21 Ca -0.12 -0.14 0.01 0.00 -0.00 0.00 0.00 57.90 57.65 2key n TYR 21 Cb 0.35 0.00 0.07 0.00 -0.00 0.00 0.00 39.34 39.75 2key n TYR 21 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2key n SER 22 N 0.38 0.05 0.17 9.48 2.88 -0.76 -2.69 113.62 123.14 2key n SER 22 Ca 0.15 0.52 0.18 0.00 -1.33 0.00 0.00 58.87 58.39 2key n SER 22 Cb 0.32 -0.53 0.80 0.00 -0.75 0.00 0.00 64.21 64.06 2key n SER 22 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2key h ARG 23 N 0.00 0.00 -0.05 -1.46 3.08 -1.75 0.02 114.38 114.22 2key h ARG 23 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2key h ARG 23 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2key h ARG 23 CO 0.00 0.00 0.00 2.89 -1.07 0.00 0.00 179.97 181.79 2key n ARG 24 N -3.78 1.68 -4.44 0.04 1.85 -1.09 -5.00 116.66 105.91 2key n ARG 24 Ca 0.03 -2.59 -0.34 0.00 -1.00 0.00 0.00 57.85 53.96 2key n ARG 24 Cb 0.41 -1.55 -0.12 0.00 -1.05 0.00 0.00 32.46 30.15 2key n ARG 24 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2key s LEU 25 N -2.79 3.20 0.72 2.89 1.02 -0.01 -5.10 118.68 118.61 2key s LEU 25 Ca 0.33 -0.14 -0.13 0.00 0.02 0.00 0.00 54.13 54.21 2key s LEU 25 Cb 0.28 -1.76 0.03 0.00 0.02 0.00 0.00 46.19 44.76 2key s LEU 25 CO 0.04 0.17 1.10 -1.61 0.02 0.00 0.00 176.35 176.07 2key s GLU 26 N 0.32 2.53 0.30 1.70 0.41 -1.26 -4.82 118.70 117.87 2key s GLU 26 Ca -0.05 1.26 0.01 0.00 -0.41 0.00 0.00 54.97 55.78 2key s GLU 26 Cb -0.14 -1.93 0.54 0.00 -1.78 0.00 0.00 34.13 30.83 2key s GLU 26 CO 0.03 -1.44 1.88 0.82 -0.49 0.00 0.00 175.26 176.06 2key h ILE 27 N -0.59 1.01 -0.42 -1.63 1.08 -1.97 0.25 117.51 115.24 2key h ILE 27 Ca -0.45 -0.35 0.09 0.00 -0.39 0.00 0.00 64.86 63.76 2key h ILE 27 Cb 1.24 -0.09 -0.08 0.00 -3.07 0.00 0.00 36.82 34.81 2key h ILE 27 CO 0.53 0.19 -0.13 1.23 -0.69 0.00 0.00 178.15 179.27 2key h GLY 28 N 1.01 0.26 1.41 5.37 0.00 -1.99 0.31 103.07 109.45 2key h GLY 28 Ca 0.43 0.17 -0.30 0.00 0.00 0.00 0.00 47.33 47.63 2key h GLY 28 CO -0.19 -0.17 -1.33 0.00 0.00 0.00 0.00 176.54 174.85 2key h THR 29 N -0.03 1.37 -0.27 4.70 1.03 -1.87 -3.05 112.91 114.78 2key h THR 29 Ca 0.20 -2.78 -0.02 0.00 -0.01 0.00 0.00 66.41 63.80 2key h THR 29 Cb 0.35 2.92 -0.01 0.00 -1.07 0.00 0.00 68.15 70.33 2key h THR 29 CO -0.45 0.83 0.07 0.15 -0.01 0.00 0.00 175.52 176.11 2key h PHE 30 N 0.15 0.45 0.00 0.00 3.57 -0.43 -2.52 116.94 118.15 2key h PHE 30 Ca -0.19 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.20 2key h PHE 30 Cb 2.02 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.63 2key h PHE 30 CO 0.10 0.50 -0.28 0.07 -2.23 0.00 0.00 178.31 176.47 2key h ARG 31 N 0.27 0.00 0.00 1.11 0.11 -0.54 -1.99 114.38 113.34 2key h ARG 31 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2key h ARG 31 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 2key h ARG 31 CO -0.00 0.28 0.00 1.25 0.10 0.00 0.00 179.97 181.60 2key h HIS 32 N 0.00 0.00 -0.60 4.08 2.76 -1.33 -2.65 115.15 117.40 2key h HIS 32 Ca -0.00 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 57.88 2key h HIS 32 Cb 0.97 0.00 -0.34 0.00 1.55 0.00 0.00 27.41 29.59 2key h HIS 32 CO 0.00 0.00 -0.97 -2.39 -1.30 0.00 0.00 177.93 173.27 2key n HIS 33 N -2.50 0.39 0.00 5.26 1.44 -1.10 -4.95 115.22 113.76 2key n HIS 33 Ca 0.00 -2.38 0.00 0.00 -2.01 0.00 0.00 57.72 53.33 2key n HIS 33 Cb 0.17 0.12 0.00 0.00 0.12 0.00 0.00 29.99 30.40 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 -0.43 0.00 0.00 -1.40 3.00 -0.77 -4.61 118.16 113.95 2key n LYS 34 Ca 0.04 0.24 0.08 0.00 -0.00 0.00 0.00 58.31 58.67 2key n LYS 34 Cb 0.82 -0.78 -0.00 0.00 0.00 0.00 0.00 35.03 35.08 2key n LYS 34 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2key n SER 35 N -1.21 1.65 0.11 3.14 7.64 -1.26 -4.70 113.62 118.98 2key n SER 35 Ca 0.00 -1.32 -0.16 0.00 1.01 0.00 0.00 58.87 58.40 2key n SER 35 Cb 0.00 0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 63.57 2key n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2key h MET 37 N -0.74 0.15 0.06 0.00 2.86 -1.87 -2.96 114.93 112.43 2key h MET 37 Ca 0.00 -0.04 -0.22 0.00 -2.06 0.00 0.00 59.70 57.38 2key h MET 37 Cb 0.75 -0.02 0.02 0.00 0.06 0.00 0.00 31.60 32.41 2key h MET 37 CO -0.29 0.35 -0.91 -0.09 1.06 0.00 0.00 176.91 177.02 2key h ARG 38 N 0.14 0.50 0.00 1.72 2.43 -1.61 -3.06 114.38 114.52 2key h ARG 38 Ca 0.03 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 2key h ARG 38 Cb 0.43 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2key h ARG 38 CO 0.03 1.25 0.00 1.63 -1.51 0.00 0.00 179.97 181.37 2key n LYS 39 N -4.01 0.00 -0.25 0.20 5.02 -0.24 -3.88 118.16 115.00 2key n LYS 39 Ca -0.12 0.48 0.02 0.00 -2.02 0.00 0.00 58.31 56.66 2key n LYS 39 Cb 0.83 -1.39 0.14 0.00 -0.02 0.00 0.00 35.03 34.60 2key n LYS 39 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2key h PHE 40 N 0.00 0.63 -0.50 2.13 3.04 -1.71 -2.70 116.94 117.83 2key h PHE 40 Ca 0.00 0.03 -0.71 0.00 3.98 0.00 0.00 57.97 61.27 2key h PHE 40 Cb 0.00 -0.17 -0.06 0.00 2.56 0.00 0.00 35.95 38.28 2key h PHE 40 CO 0.18 0.22 2.99 1.63 -2.02 0.00 0.00 178.31 181.30 2key n LYS 41 N -4.87 3.59 0.23 1.11 4.76 -1.15 -4.71 118.16 117.11 2key n LYS 41 Ca 0.11 -2.84 0.09 0.00 -2.87 0.00 0.00 58.31 52.81 2key n LYS 41 Cb 0.29 -2.95 0.54 0.00 -1.84 0.00 0.00 35.03 31.07 2key n LYS 41 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 2key h GLU 42 N 5.39 0.00 -6.52 1.97 4.11 -1.60 -3.45 114.58 114.49 2key h GLU 42 Ca 0.65 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 59.55 2key h GLU 42 Cb 0.47 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.73 2key h GLU 42 CO 1.73 0.22 0.65 1.52 0.07 0.00 0.00 179.01 183.21 2key s TYR 43 N -3.94 3.33 0.36 2.06 1.13 -1.26 -5.03 117.35 114.00 2key s TYR 43 Ca -0.01 1.10 0.08 0.00 -1.41 0.00 0.00 57.07 56.83 2key s TYR 43 Cb 0.12 -3.57 -0.05 0.00 -1.10 0.00 0.00 41.96 37.36 2key s TYR 43 CO 0.63 -1.89 0.09 0.00 -2.51 0.00 0.00 175.55 171.87 2key n GLU 45 N -1.08 -2.03 -2.78 0.00 0.00 -1.26 -4.95 120.64 108.54 2key n GLU 45 Ca -0.03 1.38 -0.10 0.00 0.00 0.00 0.00 57.16 58.42 2key n GLU 45 Cb 0.63 -2.46 0.02 0.00 0.00 0.00 0.00 31.44 29.64 2key n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2key n GLY 46 N -3.35 0.27 3.06 8.31 0.00 -1.26 -5.03 105.19 107.19 2key n GLY 46 Ca -0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.35 0.49 0.00 0.99 1.98 -1.26 -5.08 118.68 112.46 2key s LEU 47 Ca 0.19 0.51 0.00 0.00 -2.89 0.00 0.00 54.13 51.94 2key s LEU 47 Cb -0.08 0.73 -0.00 0.00 0.66 0.00 0.00 46.19 47.49 2key s LEU 47 CO 0.23 -0.16 0.01 1.67 -1.89 0.00 0.00 176.35 176.21 2key n GLN 48 N 4.10 0.15 0.06 1.98 -0.06 -1.26 -5.01 117.38 117.33 2key n GLN 48 Ca -0.24 -0.11 -0.11 0.00 -2.00 0.00 0.00 57.00 54.54 2key n GLN 48 Cb 0.53 0.09 -0.13 0.00 -4.06 0.00 0.00 30.24 26.67 2key n GLN 48 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2key h PHE 49 N 1.03 0.19 -0.01 3.69 -0.00 -1.94 -3.06 116.94 116.84 2key h PHE 49 Ca -0.01 -0.14 0.00 0.00 -0.00 0.00 0.00 57.97 57.82 2key h PHE 49 Cb 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 35.98 2key h PHE 49 CO 0.00 1.14 -0.15 1.58 -0.00 0.00 0.00 178.31 180.88 2key n HIS 50 N -3.36 0.00 0.07 6.09 -0.00 -1.26 -3.54 115.22 113.22 2key n HIS 50 Ca -0.08 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.99 2key n HIS 50 Cb 1.00 -0.05 -0.13 0.00 -0.12 0.00 0.00 29.99 30.68 2key n HIS 50 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2key h GLU 51 N 2.03 0.14 -5.58 1.57 4.39 -1.93 -3.40 114.58 111.79 2key h GLU 51 Ca 0.00 -0.23 -0.66 0.00 0.34 0.00 0.00 59.36 58.81 2key h GLU 51 Cb 0.56 0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 29.17 2key h GLU 51 CO 0.00 1.07 1.39 -1.17 -1.16 0.00 0.00 179.01 179.15 2key s LEU 52 N -6.88 4.21 0.00 1.33 1.98 -1.16 -4.65 118.68 113.51 2key s LEU 52 Ca -0.02 -1.98 0.03 0.00 -2.89 0.00 0.00 54.13 49.27 2key s LEU 52 Cb 0.08 -2.50 -0.01 0.00 0.66 0.00 0.00 46.19 44.42 2key s LEU 52 CO 0.85 -1.23 0.11 0.35 -1.89 0.00 0.00 176.35 174.54 2key n THR 53 N 6.12 0.00 -0.29 3.68 -2.24 -1.26 -4.71 114.28 115.58 2key n THR 53 Ca 0.33 -2.33 -0.05 0.00 -2.27 0.00 0.00 64.05 59.74 2key n THR 53 Cb 0.49 0.76 0.07 0.00 -2.10 0.00 0.00 70.33 69.54 2key n THR 53 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2key h GLU 54 N 0.00 1.07 -0.64 -0.78 4.22 -1.93 -1.12 114.58 115.41 2key h GLU 54 Ca -0.33 -0.11 0.06 0.00 0.08 0.00 0.00 59.36 59.06 2key h GLU 54 Cb 1.20 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 2key h GLU 54 CO 0.53 0.77 0.35 0.22 -2.18 0.00 0.00 179.01 178.70 2key h ASP 55 N 1.08 0.52 0.14 1.04 3.58 -1.94 0.36 116.42 121.19 2key h ASP 55 Ca 0.28 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 2key h ASP 55 Cb -0.01 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2key h ASP 55 CO -0.05 0.34 -0.07 0.15 -2.88 0.00 0.00 179.24 176.73 2key h PHE 56 N 0.65 -0.17 -0.74 0.28 3.04 -1.73 -2.21 116.94 116.05 2key h PHE 56 Ca 0.29 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.24 2key h PHE 56 Cb 0.18 0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.71 2key h PHE 56 CO -0.08 0.03 0.49 -0.07 -2.02 0.00 0.00 178.31 176.65 2key h LEU 57 N -0.34 0.84 -0.34 0.59 -0.00 -0.64 0.54 115.31 115.95 2key h LEU 57 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2key h LEU 57 Cb 0.27 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.71 2key h LEU 57 CO 0.03 0.61 0.23 -0.09 -0.00 0.00 0.00 178.44 179.22 2key h ARG 58 N 1.00 0.45 -0.18 1.13 1.12 -0.27 0.11 114.38 117.75 2key h ARG 58 Ca 0.27 -0.03 -0.18 0.00 -1.11 0.00 0.00 59.98 58.94 2key h ARG 58 Cb -0.10 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 29.75 2key h ARG 58 CO -0.06 0.30 -0.61 0.22 -3.11 0.00 0.00 179.97 176.71 2key h ASP 59 N 0.46 0.69 0.44 -3.80 3.58 -1.00 -3.16 116.42 113.63 2key h ASP 59 Ca 0.13 -0.40 -0.10 0.00 0.42 0.00 0.00 57.03 57.08 2key h ASP 59 Cb -0.05 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 2key h ASP 59 CO -0.03 1.14 -0.46 0.22 -2.88 0.00 0.00 179.24 177.23 2key h TYR 60 N 0.45 0.04 -0.10 0.28 3.20 0.43 0.33 116.97 121.60 2key h TYR 60 Ca -0.01 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 2key h TYR 60 Cb 1.18 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.44 2key h TYR 60 CO 0.05 0.49 0.04 1.25 -1.64 0.00 0.00 178.16 178.35 2key h LEU 61 N 0.03 0.13 -0.45 2.82 5.85 -0.79 0.20 115.31 123.10 2key h LEU 61 Ca -0.00 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2key h LEU 61 Cb 0.82 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2key h LEU 61 CO 0.06 0.24 0.23 0.40 -0.34 0.00 0.00 178.44 179.04 2key h ILE 62 N 0.02 1.17 -0.96 4.05 2.04 -1.40 -1.48 117.51 120.96 2key h ILE 62 Ca 0.03 -0.47 0.10 0.00 1.00 0.00 0.00 64.86 65.51 2key h ILE 62 Cb 0.15 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 2key h ILE 62 CO -0.00 0.19 0.60 0.22 0.00 0.00 0.00 178.15 179.15 2key h TYR 63 N 0.59 1.09 -0.03 1.37 3.20 -0.18 0.21 116.97 123.22 2key h TYR 63 Ca 0.16 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 2key h TYR 63 Cb 0.09 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.01 2key h TYR 63 CO -0.01 0.48 0.01 1.98 -1.64 0.00 0.00 178.16 178.97 2key h MET 64 N 1.00 0.05 -0.79 1.82 4.05 -0.14 0.21 114.93 121.14 2key h MET 64 Ca 0.45 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.81 2key h MET 64 Cb 0.35 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 2key h MET 64 CO -0.23 0.27 0.31 -0.22 0.23 0.00 0.00 176.91 177.27 2key h LYS 65 N -0.17 1.19 0.04 0.39 3.11 -0.73 -2.12 116.57 118.27 2key h LYS 65 Ca 0.01 -0.22 -0.00 0.00 -2.81 0.00 0.00 60.65 57.63 2key h LYS 65 Cb 0.24 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 2key h LYS 65 CO 0.00 0.97 -0.02 0.87 -2.81 0.00 0.00 179.45 178.46 2key h LYS 66 N 1.15 -0.05 0.12 1.90 1.79 -0.52 -3.12 116.57 117.85 2key h LYS 66 Ca 0.26 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.45 2key h LYS 66 Cb 0.23 0.01 0.02 0.00 -1.58 0.00 0.00 32.23 30.91 2key h LYS 66 CO -0.02 -0.03 -1.23 1.15 -1.08 0.00 0.00 179.45 178.24 2key h THR 67 N -0.58 1.34 0.00 -0.16 2.02 -0.70 -3.02 112.91 111.80 2key h THR 67 Ca -0.01 -2.59 0.00 0.00 0.77 0.00 0.00 66.41 64.58 2key h THR 67 Cb 0.04 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 2key h THR 67 CO 0.01 0.78 -0.22 -0.11 0.37 0.00 0.00 175.52 176.34 2key n LEU 68 N -3.73 0.62 -3.30 2.58 0.00 -0.82 -4.93 117.00 107.43 2key n LEU 68 Ca -0.12 0.41 -0.23 0.00 0.00 0.00 0.00 56.01 56.07 2key n LEU 68 Cb 0.98 -0.30 0.06 0.00 0.00 0.00 0.00 43.42 44.16 2key n LEU 68 CO 0.57 -0.09 0.13 0.00 0.00 0.00 0.00 177.39 178.00 2key s ASN 70 N -3.04 6.14 0.74 0.00 0.02 -1.15 -5.02 114.94 112.63 2key s ASN 70 Ca 0.46 0.07 -0.09 0.00 -1.02 0.00 0.00 52.86 52.28 2key s ASN 70 Cb -0.20 -1.78 0.06 0.00 0.02 0.00 0.00 41.25 39.35 2key s ASN 70 CO 0.56 0.02 1.07 0.00 0.02 0.00 0.00 177.10 178.78 2key s ALA 71 N -1.82 2.96 0.37 0.60 0.00 -1.26 -4.10 121.76 118.51 2key s ALA 71 Ca 0.34 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.61 2key s ALA 71 Cb -0.10 -2.76 0.73 0.00 0.00 0.00 0.00 23.12 20.98 2key s ALA 71 CO 0.27 -1.40 1.89 0.38 0.00 0.00 0.00 175.76 176.91 2key h ASP 72 N -0.75 0.27 -0.40 0.00 2.03 -1.97 0.16 116.42 115.76 2key h ASP 72 Ca -0.45 -0.06 0.03 0.00 -0.73 0.00 0.00 57.03 55.82 2key h ASP 72 Cb 1.31 -0.07 -0.03 0.00 -0.83 0.00 0.00 39.33 39.71 2key h ASP 72 CO 0.63 0.43 0.21 0.28 -1.03 0.00 0.00 179.24 179.76 2key h SER 73 N 0.27 0.31 0.31 4.15 0.02 -1.99 0.40 113.55 117.03 2key h SER 73 Ca 0.05 0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 60.76 2key h SER 73 Cb 0.40 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.91 2key h SER 73 CO 0.02 0.23 -1.10 0.74 -1.14 0.00 0.00 176.83 175.58 2key h THR 74 N 0.42 1.38 -0.38 -2.27 2.02 -1.80 -2.64 112.91 109.63 2key h THR 74 Ca 0.17 -2.56 -0.02 0.00 0.77 0.00 0.00 66.41 64.77 2key h THR 74 Cb 0.06 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 2key h THR 74 CO -0.11 0.77 0.17 0.00 0.37 0.00 0.00 175.52 176.72 2key h ALA 75 N 0.55 0.50 -0.46 6.16 0.00 -0.41 0.20 119.26 125.80 2key h ALA 75 Ca -0.13 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2key h ALA 75 Cb 1.76 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2key h ALA 75 CO 0.20 0.07 -0.01 1.96 0.00 0.00 0.00 179.25 181.47 2key h GLN 76 N 0.48 0.76 -0.49 0.00 1.08 -0.28 0.56 115.11 117.22 2key h GLN 76 Ca 0.13 -0.20 -0.13 0.00 -1.45 0.00 0.00 58.65 56.99 2key h GLN 76 Cb 0.15 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2key h GLN 76 CO -0.01 0.78 -0.22 -0.09 -0.95 0.00 0.00 178.83 178.34 2key h ARG 77 N 0.71 1.00 -0.56 1.46 2.43 -1.09 0.11 114.38 118.44 2key h ARG 77 Ca 0.14 -0.43 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 2key h ARG 77 Cb 0.45 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2key h ARG 77 CO 0.02 1.11 0.27 -0.97 -1.51 0.00 0.00 179.97 178.89 2key h ASN 78 N 0.86 0.73 0.28 -3.80 -0.73 -0.21 0.21 115.58 112.92 2key h ASN 78 Ca 0.11 -0.13 -0.06 0.00 1.87 0.00 0.00 56.30 58.09 2key h ASN 78 Cb 0.80 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.19 2key h ASN 78 CO 0.07 0.66 -0.29 -0.07 -0.37 0.00 0.00 177.43 177.42 2key h LEU 79 N 0.76 0.03 -0.48 0.34 3.38 -0.72 -1.22 115.31 117.39 2key h LEU 79 Ca 0.19 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 2key h LEU 79 Cb 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2key h LEU 79 CO -0.02 0.32 -0.32 0.28 0.09 0.00 0.00 178.44 178.79 2key h SER 80 N 0.02 0.96 0.67 -0.43 0.02 0.14 0.24 113.55 115.18 2key h SER 80 Ca 0.00 -0.41 -0.06 0.00 -0.84 0.00 0.00 61.79 60.48 2key h SER 80 Cb 0.54 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2key h SER 80 CO 0.04 1.19 -0.31 0.71 -1.14 0.00 0.00 176.83 177.32 2key h THR 81 N 0.77 0.85 -0.15 -2.27 1.35 -0.56 -1.88 112.91 111.02 2key h THR 81 Ca 0.08 -1.24 -0.20 0.00 -0.55 0.00 0.00 66.41 64.50 2key h THR 81 Cb 0.89 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 2key h THR 81 CO 0.08 0.30 -0.71 0.40 -0.25 0.00 0.00 175.52 175.34 2key h ILE 82 N 0.00 1.31 -0.00 6.82 2.04 -0.89 -3.04 117.51 123.74 2key h ILE 82 Ca -0.00 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 63.89 2key h ILE 82 Cb 0.73 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2key h ILE 82 CO 0.04 0.62 0.00 0.50 0.00 0.00 0.00 178.15 179.31 2key h LYS 83 N 0.47 0.00 -0.32 2.37 3.64 0.19 -2.52 116.57 120.40 2key h LYS 83 Ca -0.03 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2key h LYS 83 Cb 1.31 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.07 2key h LYS 83 CO 0.14 0.00 -0.05 0.82 -2.27 0.00 0.00 179.45 178.09 2key h ILE 84 N 0.00 0.72 -0.03 2.00 1.08 -1.24 1.00 117.51 121.03 2key h ILE 84 Ca 0.00 -0.01 -0.18 0.00 -0.39 0.00 0.00 64.86 64.28 2key h ILE 84 Cb 0.01 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 2key h ILE 84 CO -0.00 0.01 -0.77 0.10 -0.69 0.00 0.00 178.15 176.79 2key h TYR 85 N 0.03 0.34 -0.16 1.37 -0.00 -1.59 -0.85 116.97 116.12 2key h TYR 85 Ca 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 58.73 58.68 2key h TYR 85 Cb 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 36.73 36.90 2key h TYR 85 CO -0.27 0.92 -0.04 0.28 -0.00 0.00 0.00 178.16 179.05 2key h VAL 86 N 0.15 1.29 -0.52 -0.90 2.07 -1.08 0.03 116.25 117.30 2key h VAL 86 Ca -0.03 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 2key h VAL 86 Cb 1.35 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 2key h VAL 86 CO 0.12 0.29 0.10 0.28 0.02 0.00 0.00 177.57 178.39 2key h SER 87 N 0.01 0.75 -0.55 0.57 0.02 0.10 -0.60 113.55 113.85 2key h SER 87 Ca 0.04 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.76 2key h SER 87 Cb 0.47 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2key h SER 87 CO 0.02 0.75 0.00 0.00 -1.14 0.00 0.00 176.83 176.46 2key h ALA 88 N 1.35 0.91 0.00 3.77 0.00 -1.05 -2.54 119.26 121.70 2key h ALA 88 Ca 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2key h ALA 88 Cb 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2key h ALA 88 CO 0.00 0.65 -0.14 0.00 0.00 0.00 0.00 179.25 179.76 2key h ALA 89 N 1.08 1.21 -0.25 0.00 0.00 -0.09 -0.22 119.26 120.99 2key h ALA 89 Ca 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2key h ALA 89 Cb 0.53 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2key h ALA 89 CO 0.03 0.18 -0.00 0.82 0.00 0.00 0.00 179.25 180.27 2key h ILE 90 N 0.00 1.26 -0.10 0.00 2.04 -0.71 0.30 117.51 120.29 2key h ILE 90 Ca -0.00 -0.91 -0.10 0.00 1.00 0.00 0.00 64.86 64.85 2key h ILE 90 Cb 0.43 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2key h ILE 90 CO 0.02 0.29 -0.39 0.11 0.00 0.00 0.00 178.15 178.17 2key h LYS 91 N 0.23 0.22 -0.33 2.37 1.79 -1.31 -2.53 116.57 117.01 2key h LYS 91 Ca 0.07 -0.10 -0.08 0.00 -2.18 0.00 0.00 60.65 58.36 2key h LYS 91 Cb 0.42 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 2key h LYS 91 CO 0.01 0.58 -0.15 -0.22 -1.08 0.00 0.00 179.45 178.60 2key h LYS 92 N 0.19 0.58 0.00 3.15 3.11 -0.86 -3.47 116.57 119.28 2key h LYS 92 Ca 0.02 -0.19 0.00 0.00 -2.81 0.00 0.00 60.65 57.67 2key h LYS 92 Cb 0.78 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 2key h LYS 92 CO 0.06 0.71 0.00 0.41 -2.81 0.00 0.00 179.45 177.82 2key n GLY 93 N -0.52 1.16 0.10 5.01 0.00 0.10 -5.00 105.19 106.03 2key n GLY 93 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 2key n GLY 93 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2key h TYR 94 N 0.00 0.06 -3.01 1.61 3.20 -0.75 -3.45 116.97 114.63 2key h TYR 94 Ca 0.00 -0.04 -0.63 0.00 3.14 0.00 0.00 58.73 61.20 2key h TYR 94 Cb 0.00 -0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.18 2key h TYR 94 CO 0.00 1.33 -0.42 -1.64 -1.64 0.00 0.00 178.16 175.79 2key s MET 95 N -2.33 3.89 0.01 1.82 -1.94 -0.80 -4.96 119.30 115.00 2key s MET 95 Ca -0.24 -0.05 -0.20 0.00 -1.71 0.00 0.00 55.69 53.49 2key s MET 95 Cb 0.03 -3.31 -0.19 0.00 2.01 0.00 0.00 34.83 33.36 2key s MET 95 CO 0.65 0.51 1.19 1.49 -0.01 0.00 0.00 175.02 178.85 2key h GLU 96 N 5.81 0.38 -3.87 2.03 4.81 -1.88 -3.33 114.58 118.52 2key h GLU 96 Ca -0.48 -0.31 -0.17 0.00 -0.13 0.00 0.00 59.36 58.28 2key h GLU 96 Cb 1.19 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.56 2key h GLU 96 CO 0.67 0.95 -0.14 -0.80 -0.73 0.00 0.00 179.01 178.96 2key s ASN 97 N -6.46 0.44 0.48 1.04 0.02 -1.26 -4.97 114.94 104.23 2key s ASN 97 Ca -0.14 -1.26 -0.11 0.00 -1.02 0.00 0.00 52.86 50.34 2key s ASN 97 Cb 0.04 0.64 -0.06 0.00 0.02 0.00 0.00 41.25 41.90 2key s ASN 97 CO 0.79 -1.26 0.87 1.51 0.02 0.00 0.00 177.10 179.02 2key s ASP 98 N -3.14 6.44 0.00 -1.22 1.47 -1.26 -4.96 116.67 114.00 2key s ASP 98 Ca 0.27 1.25 0.16 0.00 1.18 0.00 0.00 52.55 55.41 2key s ASP 98 Cb -0.01 -2.38 0.80 0.00 -0.34 0.00 0.00 42.92 41.00 2key s ASP 98 CO 0.15 -0.56 1.49 -0.81 0.68 0.00 0.00 175.17 176.12 2key n PRO 99 N -1.81 0.17 0.14 2.11 -0.04 -1.26 -2.47 135.00 131.84 2key n PRO 99 Ca 0.04 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 2key n PRO 99 Cb 0.54 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.61 2key n PRO 99 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2key h PHE 100 N 0.00 0.00 -0.55 0.54 0.04 -1.93 -2.75 116.94 112.28 2key h PHE 100 Ca 0.00 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.88 2key h PHE 100 Cb 0.19 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.23 2key h PHE 100 CO 0.00 0.00 -0.22 0.87 -0.60 0.00 0.00 178.31 178.36 2key h LYS 101 N 0.00 -0.08 -0.33 1.51 1.79 -1.88 -2.81 116.57 114.77 2key h LYS 101 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2key h LYS 101 Cb 0.96 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 2key h LYS 101 CO 0.00 -0.06 0.00 -3.47 -1.08 0.00 0.00 179.45 174.84 2key n ASP 102 N -5.42 2.87 0.33 0.86 2.03 -1.24 -3.76 116.55 112.20 2key n ASP 102 Ca 0.05 -1.96 -0.18 0.00 0.52 0.00 0.00 54.79 53.22 2key n ASP 102 Cb 0.33 -0.22 -0.09 0.00 -0.72 0.00 0.00 41.12 40.42 2key n ASP 102 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2key h PHE 103 N 2.08 -1.23 0.00 -0.67 3.57 -1.21 -3.39 116.94 116.10 2key h PHE 103 Ca 0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2key h PHE 103 Cb 0.72 0.46 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 2key h PHE 103 CO 0.22 -0.64 -0.93 0.41 -2.23 0.00 0.00 178.31 175.13 2key n GLY 104 N -1.56 -0.61 3.64 2.40 0.00 -1.26 -5.03 105.19 102.77 2key n GLY 104 Ca -0.12 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 2key n GLY 104 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2key s LEU 105 N -7.96 -0.88 -0.01 0.99 0.05 -1.26 -5.07 118.68 104.53 2key s LEU 105 Ca -0.27 1.39 -0.00 0.00 0.05 0.00 0.00 54.13 55.30 2key s LEU 105 Cb 0.04 2.27 -0.00 0.00 -2.05 0.00 0.00 46.19 46.44 2key s LEU 105 CO 0.40 -0.22 0.06 -0.33 -0.55 0.00 0.00 176.35 175.71 2key h GLU 106 N 6.90 -0.01 0.00 1.48 4.39 -1.85 -3.45 114.58 122.04 2key h GLU 106 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2key h GLU 106 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2key h GLU 106 CO 0.16 -0.01 0.00 0.72 -1.16 0.00 0.00 179.01 178.73 2key n HIS 107 N -2.32 0.00 -4.90 4.33 8.25 -1.26 -5.08 115.22 114.23 2key n HIS 107 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2key n HIS 107 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2key n HIS 107 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2key n HIS 108 N -0.51 -1.41 -3.15 4.41 8.25 -1.26 -4.92 115.22 116.62 2key n HIS 108 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 2key n HIS 108 Cb 0.00 0.23 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 2key n HIS 108 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2key s HIS 109 N 0.00 -0.71 -0.09 4.41 2.46 -1.26 -5.12 115.29 114.98 2key s HIS 109 Ca 0.00 0.71 -0.29 0.00 0.47 0.00 0.00 55.06 55.94 2key s HIS 109 Cb 0.00 0.23 -0.05 0.00 -0.13 0.00 0.00 32.58 32.63 2key s HIS 109 CO 0.00 -0.39 1.73 -1.58 -2.47 0.00 0.00 174.74 172.03 2key s HIS 110 N 2.94 1.84 -0.06 3.88 2.46 -1.26 -4.85 115.29 120.24 2key s HIS 110 Ca 0.05 0.20 0.10 0.00 0.47 0.00 0.00 55.06 55.88 2key s HIS 110 Cb -0.10 -3.98 0.17 0.00 -0.13 0.00 0.00 32.58 28.54 2key s HIS 110 CO -0.14 -3.92 1.08 -2.39 -2.47 0.00 0.00 174.74 166.90 2key n HIS 111 N 7.84 0.00 -0.65 3.88 1.44 -1.26 -5.34 115.22 121.13 2key n HIS 111 Ca 0.19 -0.48 0.00 0.00 -2.01 0.00 0.00 57.72 55.42 2key n HIS 111 Cb 0.43 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.43 2key n HIS 111 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11