#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 0.25 -0.75 6.12 3.02 -1.26 -5.17 115.26 117.46 2key n ASN 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2key n ASN 2 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2key n ASN 2 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2key n ASN 3 N -2.28 -4.09 -4.55 6.41 5.03 -1.26 -4.71 115.26 109.81 2key n ASN 3 Ca 0.00 0.89 -0.32 0.00 0.87 0.00 0.00 54.58 56.02 2key n ASN 3 Cb 0.09 -1.91 -0.04 0.00 -1.02 0.00 0.00 39.78 36.90 2key n ASN 3 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 2key s PRO 4 N -4.69 2.26 -0.26 3.52 0.02 -1.26 -4.88 135.00 129.71 2key s PRO 4 Ca 0.00 0.74 -0.01 0.00 0.02 0.00 0.00 61.00 61.75 2key s PRO 4 Cb 0.00 -4.62 0.15 0.00 0.02 0.00 0.00 34.50 30.05 2key s PRO 4 CO 0.00 -3.29 0.40 -1.12 -0.33 0.00 0.00 177.00 172.66 2key s SER 5 N 9.99 0.16 0.00 2.53 0.01 -1.26 -4.99 113.70 120.13 2key s SER 5 Ca 0.82 0.08 0.21 0.00 1.31 0.00 0.00 55.95 58.38 2key s SER 5 Cb -0.13 1.19 0.52 0.00 0.21 0.00 0.00 66.02 67.82 2key s SER 5 CO 0.17 -0.31 1.45 -0.67 0.41 0.00 0.00 173.24 174.29 2key n ASP 6 N 5.37 3.16 -4.42 2.44 2.03 -1.26 -4.91 116.55 118.96 2key n ASP 6 Ca -0.02 -1.96 -0.26 0.00 0.52 0.00 0.00 54.79 53.08 2key n ASP 6 Cb 0.50 -0.29 -0.09 0.00 -0.72 0.00 0.00 41.12 40.51 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 -1.41 1.95 0.19 -0.67 0.40 -1.26 -5.05 117.98 112.12 2key s PHE 7 Ca 0.39 -1.04 -0.12 0.00 -0.60 0.00 0.00 56.93 55.56 2key s PHE 7 Cb 0.22 -1.36 0.13 0.00 0.51 0.00 0.00 43.02 42.51 2key s PHE 7 CO 0.30 -0.00 1.83 -0.22 0.70 0.00 0.00 175.22 177.82 2key h LYS 8 N 1.82 0.68 0.00 0.44 1.63 -1.97 -3.47 116.57 115.70 2key h LYS 8 Ca -0.40 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.26 2key h LYS 8 Cb 1.27 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2key h LYS 8 CO 0.67 0.45 0.12 0.43 -3.45 0.00 0.00 179.45 177.67 2key n SER 9 N -4.75 -1.73 -0.33 4.20 7.64 -1.26 -5.04 113.62 112.35 2key n SER 9 Ca 0.05 -2.48 0.03 0.00 1.01 0.00 0.00 58.87 57.48 2key n SER 9 Cb 0.07 2.96 0.17 0.00 -1.01 0.00 0.00 64.21 66.40 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 1.87 1.04 0.00 1.43 -0.00 -1.96 -2.10 116.94 117.22 2key h PHE 10 Ca -0.27 0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 57.71 2key h PHE 10 Cb 1.06 -0.33 -0.00 0.00 -0.00 0.00 0.00 35.95 36.68 2key h PHE 10 CO 0.00 0.49 -0.06 1.12 -0.00 0.00 0.00 178.31 179.86 2key h HIS 11 N 0.99 0.00 0.02 6.09 2.07 -1.96 0.19 115.15 122.55 2key h HIS 11 Ca 0.41 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.82 2key h HIS 11 Cb 0.26 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.25 2key h HIS 11 CO -0.03 0.06 -0.47 -0.44 -3.07 0.00 0.00 177.93 173.99 2key h ASP 12 N 0.00 0.38 -0.32 3.10 5.19 -1.76 -2.21 116.42 120.79 2key h ASP 12 Ca -0.00 -0.81 -0.08 0.00 -0.62 0.00 0.00 57.03 55.52 2key h ASP 12 Cb 0.19 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2key h ASP 12 CO 0.01 1.14 -0.13 0.15 -3.12 0.00 0.00 179.24 177.29 2key h PHE 13 N -0.34 0.75 -0.91 4.55 3.57 -1.33 -2.43 116.94 120.81 2key h PHE 13 Ca -0.06 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 2key h PHE 13 Cb 1.23 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 2key h PHE 13 CO 0.17 0.86 0.53 0.28 -2.23 0.00 0.00 178.31 177.92 2key h VAL 14 N 0.43 1.26 -0.61 1.41 2.07 -1.08 0.63 116.25 120.35 2key h VAL 14 Ca 0.08 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 2key h VAL 14 Cb 0.65 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2key h VAL 14 CO 0.04 0.28 0.36 0.00 0.02 0.00 0.00 177.57 178.27 2key h ALA 15 N 1.32 0.78 -0.24 1.67 0.00 -1.24 0.44 119.26 121.99 2key h ALA 15 Ca 0.32 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 2key h ALA 15 Cb -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2key h ALA 15 CO -0.06 0.26 -0.54 1.03 0.00 0.00 0.00 179.25 179.95 2key h SER 16 N 0.83 0.81 -0.28 0.00 0.87 -0.93 0.64 113.55 115.48 2key h SER 16 Ca 0.22 -0.43 -0.12 0.00 -1.23 0.00 0.00 61.79 60.23 2key h SER 16 Cb -0.01 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 2key h SER 16 CO -0.04 1.18 -0.30 0.22 -0.53 0.00 0.00 176.83 177.36 2key h TYR 17 N 0.56 0.85 -0.28 2.24 5.03 -0.59 -2.65 116.97 122.13 2key h TYR 17 Ca 0.01 -0.26 -0.10 0.00 2.58 0.00 0.00 58.73 60.97 2key h TYR 17 Cb 1.11 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.21 2key h TYR 17 CO 0.06 1.01 -0.25 1.98 -1.32 0.00 0.00 178.16 179.64 2key h MET 18 N 0.44 0.53 -0.64 1.82 4.05 -0.08 -1.53 114.93 119.52 2key h MET 18 Ca 0.04 -0.20 0.11 0.00 -0.28 0.00 0.00 59.70 59.37 2key h MET 18 Cb 0.87 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.60 2key h MET 18 CO 0.07 0.74 0.43 -0.22 0.23 0.00 0.00 176.91 178.16 2key h LYS 19 N 0.47 0.40 0.16 0.39 3.64 -0.72 0.10 116.57 121.01 2key h LYS 19 Ca 0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2key h LYS 19 Cb 0.68 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2key h LYS 19 CO 0.05 0.27 -0.07 1.15 -2.27 0.00 0.00 179.45 178.57 2key h THR 20 N 0.42 0.98 -0.14 1.00 2.02 -0.92 -3.23 112.91 113.04 2key h THR 20 Ca 0.30 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2key h THR 20 Cb 0.62 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2key h THR 20 CO -0.09 0.20 0.00 0.00 0.37 0.00 0.00 175.52 176.00 2key n TYR 21 N -4.98 0.18 0.13 3.16 0.18 -1.10 -3.93 117.16 110.80 2key n TYR 21 Ca -0.09 -0.09 0.03 0.00 1.88 0.00 0.00 57.90 59.63 2key n TYR 21 Cb 0.25 0.00 0.14 0.00 -0.38 0.00 0.00 39.34 39.35 2key n TYR 21 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2key n SER 22 N 0.33 0.08 0.18 9.48 2.88 0.33 -1.20 113.62 125.70 2key n SER 22 Ca 0.17 0.53 0.03 0.00 -1.33 0.00 0.00 58.87 58.27 2key n SER 22 Cb 0.34 -0.55 0.39 0.00 -0.75 0.00 0.00 64.21 63.65 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 0.07 -0.00 -1.46 3.08 -1.79 -2.77 114.38 111.51 2key h ARG 23 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2key h ARG 23 Cb 0.06 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2key h ARG 23 CO 0.00 0.34 -0.84 2.89 -1.07 0.00 0.00 179.97 181.29 2key n ARG 24 N -4.19 0.93 -3.16 0.04 1.85 -0.34 -4.95 116.66 106.83 2key n ARG 24 Ca -0.02 -0.06 -0.39 0.00 -1.00 0.00 0.00 57.85 56.38 2key n ARG 24 Cb 0.34 -1.37 -0.05 0.00 -1.05 0.00 0.00 32.46 30.32 2key n ARG 24 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2key s LEU 25 N -2.83 4.26 0.66 2.89 2.96 -1.04 -5.04 118.68 120.53 2key s LEU 25 Ca 0.08 0.95 -0.17 0.00 -0.22 0.00 0.00 54.13 54.77 2key s LEU 25 Cb 0.14 -2.89 -0.00 0.00 0.50 0.00 0.00 46.19 43.94 2key s LEU 25 CO 0.74 -0.11 1.27 -0.70 -1.32 0.00 0.00 176.35 176.22 2key s GLU 26 N 1.03 2.50 0.32 1.98 -6.30 -1.26 -4.91 118.70 112.06 2key s GLU 26 Ca 0.31 1.98 0.07 0.00 -2.50 0.00 0.00 54.97 54.82 2key s GLU 26 Cb -0.16 -1.85 0.55 0.00 0.00 0.00 0.00 34.13 32.66 2key s GLU 26 CO 0.13 -1.61 1.77 0.82 0.02 0.00 0.00 175.26 176.39 2key h ILE 27 N 0.40 1.26 -0.13 -3.70 1.08 -1.96 -3.03 117.51 111.42 2key h ILE 27 Ca -0.50 -1.24 0.05 0.00 -0.39 0.00 0.00 64.86 62.77 2key h ILE 27 Cb 1.32 1.47 -0.06 0.00 -3.07 0.00 0.00 36.82 36.48 2key h ILE 27 CO 0.53 0.38 -0.27 1.23 -0.69 0.00 0.00 178.15 179.32 2key h GLY 28 N 1.04 -0.32 0.62 5.37 0.00 -1.99 0.38 103.07 108.18 2key h GLY 28 Ca 0.04 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 2key h GLY 28 CO 0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 176.54 176.32 2key h THR 29 N -0.34 1.04 -0.51 4.70 1.03 -1.95 -3.17 112.91 113.71 2key h THR 29 Ca 0.10 -0.79 0.10 0.00 -0.01 0.00 0.00 66.41 65.81 2key h THR 29 Cb 0.49 1.52 -0.09 0.00 -1.07 0.00 0.00 68.15 69.00 2key h THR 29 CO -0.33 0.18 -0.10 0.15 -0.01 0.00 0.00 175.52 175.42 2key h PHE 30 N -0.56 -0.22 0.00 0.00 3.57 -1.39 -1.90 116.94 116.45 2key h PHE 30 Ca -0.02 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2key h PHE 30 Cb 0.44 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 2key h PHE 30 CO 0.05 -0.20 -0.02 -0.09 -2.23 0.00 0.00 178.31 175.82 2key h ARG 31 N 0.02 0.00 0.00 1.11 2.43 -0.27 -2.91 114.38 114.76 2key h ARG 31 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2key h ARG 31 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2key h ARG 31 CO -0.50 0.02 -0.20 0.45 -1.51 0.00 0.00 179.97 178.22 2key h HIS 32 N 0.00 0.00 -0.14 2.20 3.86 -1.32 -3.39 115.15 116.36 2key h HIS 32 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2key h HIS 32 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2key h HIS 32 CO 0.00 0.00 0.00 -2.39 0.86 0.00 0.00 177.93 176.40 2key n HIS 33 N -3.91 0.24 0.08 2.45 1.44 -1.19 -2.83 115.22 111.51 2key n HIS 33 Ca -0.03 -0.11 -0.13 0.00 -2.01 0.00 0.00 57.72 55.44 2key n HIS 33 Cb 0.10 -0.03 -0.13 0.00 0.12 0.00 0.00 29.99 30.05 2key n HIS 33 CO 0.00 0.00 0.00 1.57 -2.81 0.00 0.00 176.34 175.10 2key h LYS 34 N 0.87 0.17 -0.01 -1.40 5.09 -1.71 -3.32 116.57 116.26 2key h LYS 34 Ca 0.00 -0.29 -0.20 0.00 0.09 0.00 0.00 60.65 60.24 2key h LYS 34 Cb 0.31 0.11 -0.01 0.00 0.10 0.00 0.00 32.23 32.74 2key h LYS 34 CO 0.02 1.11 -0.86 0.77 -2.09 0.00 0.00 179.45 178.40 2key h SER 35 N 0.05 0.36 -0.04 7.07 0.02 -1.74 -3.29 113.55 115.98 2key h SER 35 Ca -0.11 -0.28 0.03 0.00 -0.84 0.00 0.00 61.79 60.59 2key h SER 35 Cb 1.92 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 64.31 2key h SER 35 CO 0.17 1.06 -0.15 0.00 -1.14 0.00 0.00 176.83 176.77 2key h MET 37 N -0.24 0.00 0.06 0.00 2.86 -1.66 -1.59 114.93 114.37 2key h MET 37 Ca 0.06 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.43 2key h MET 37 Cb 0.32 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.00 2key h MET 37 CO -0.18 0.02 -1.13 0.00 1.06 0.00 0.00 176.91 176.69 2key h ARG 38 N 0.00 0.55 0.05 1.72 -0.00 -1.43 -3.38 114.38 111.88 2key h ARG 38 Ca -0.00 -0.68 -0.00 0.00 -0.50 0.00 0.00 59.98 58.80 2key h ARG 38 Cb 0.05 0.21 0.00 0.00 0.00 0.00 0.00 29.97 30.23 2key h ARG 38 CO 0.00 1.28 -0.02 -0.22 0.00 0.00 0.00 179.97 181.01 2key h LYS 39 N 0.27 -0.06 0.00 0.04 3.64 -0.36 -3.31 116.57 116.79 2key h LYS 39 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2key h LYS 39 Cb 1.79 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.62 2key h LYS 39 CO 0.21 0.54 0.00 1.19 -2.27 0.00 0.00 179.45 179.11 2key n PHE 40 N -4.81 0.00 1.48 1.91 3.72 -0.83 -3.13 117.46 115.79 2key n PHE 40 Ca -0.09 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.38 2key n PHE 40 Cb 0.31 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.11 2key n PHE 40 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2key n LYS 41 N -0.84 1.42 0.00 -1.08 2.85 -1.25 -4.14 118.16 115.13 2key n LYS 41 Ca 0.07 -0.65 0.00 0.00 -1.05 0.00 0.00 58.31 56.69 2key n LYS 41 Cb 0.03 -1.24 0.31 0.00 -0.65 0.00 0.00 35.03 33.48 2key n LYS 41 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 2key h GLU 42 N 1.16 0.52 0.00 -1.58 4.11 -1.84 -1.10 114.58 115.84 2key h GLU 42 Ca 0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.33 2key h GLU 42 Cb 0.26 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2key h GLU 42 CO 0.00 0.53 0.00 0.66 0.07 0.00 0.00 179.01 180.27 2key n TYR 43 N -4.29 0.81 -3.05 2.06 4.01 -1.26 -4.90 117.16 110.54 2key n TYR 43 Ca 0.02 0.26 -0.22 0.00 -0.16 0.00 0.00 57.90 57.79 2key n TYR 43 Cb 0.23 -0.92 0.03 0.00 -0.31 0.00 0.00 39.34 38.37 2key n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2key s GLU 45 N -5.73 2.64 0.00 0.00 2.02 -1.26 -5.11 118.70 111.25 2key s GLU 45 Ca 0.31 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.66 2key s GLU 45 Cb -0.14 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.55 2key s GLU 45 CO 0.38 0.63 0.00 0.41 0.02 0.00 0.00 175.26 176.71 2key n GLY 46 N 1.87 3.12 3.64 -1.39 0.00 -1.26 -5.01 105.19 106.15 2key n GLY 46 Ca -0.17 -1.46 -0.07 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.57 0.74 0.99 2.96 -1.26 -5.15 118.68 116.39 2key s LEU 47 Ca 0.00 1.00 -0.10 0.00 -0.22 0.00 0.00 54.13 54.81 2key s LEU 47 Cb 0.00 1.97 0.05 0.00 0.50 0.00 0.00 46.19 48.71 2key s LEU 47 CO 0.00 -0.17 1.10 -1.10 -1.32 0.00 0.00 176.35 174.86 2key s GLN 48 N 0.80 2.32 0.18 1.98 1.11 -1.26 -4.95 119.66 119.84 2key s GLN 48 Ca -0.03 0.10 -0.11 0.00 0.01 0.00 0.00 55.36 55.33 2key s GLN 48 Cb -0.05 -2.05 0.09 0.00 -1.01 0.00 0.00 33.01 30.00 2key s GLN 48 CO -0.10 -1.30 1.76 0.27 0.01 0.00 0.00 175.29 175.93 2key h PHE 49 N -0.77 0.92 0.00 0.91 -0.00 -2.01 -2.01 116.94 113.98 2key h PHE 49 Ca -0.45 -0.05 0.00 0.00 -0.00 0.00 0.00 57.97 57.47 2key h PHE 49 Cb 1.30 -0.28 0.00 0.00 -0.00 0.00 0.00 35.95 36.97 2key h PHE 49 CO 0.38 0.71 0.00 1.58 -0.00 0.00 0.00 178.31 180.97 2key n HIS 50 N -4.48 0.13 0.03 6.09 -0.00 -1.26 -2.64 115.22 113.08 2key n HIS 50 Ca 0.04 0.04 -0.08 0.00 -0.00 0.00 0.00 57.72 57.72 2key n HIS 50 Cb 0.14 -0.57 -0.13 0.00 -0.00 0.00 0.00 29.99 29.43 2key n HIS 50 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2key h GLU 51 N 0.00 0.01 -6.05 1.57 5.08 -1.75 -3.42 114.58 110.02 2key h GLU 51 Ca 0.00 -0.01 -0.49 0.00 -1.00 0.00 0.00 59.36 57.85 2key h GLU 51 Cb 0.47 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 2key h GLU 51 CO 0.00 0.79 1.24 -1.17 -1.00 0.00 0.00 179.01 178.87 2key s LEU 52 N -6.46 3.25 0.26 1.33 1.98 -1.07 -4.64 118.68 113.33 2key s LEU 52 Ca -0.02 0.02 0.02 0.00 -2.89 0.00 0.00 54.13 51.26 2key s LEU 52 Cb 0.09 -2.54 -0.04 0.00 0.66 0.00 0.00 46.19 44.36 2key s LEU 52 CO 0.82 -2.26 0.15 0.42 -1.89 0.00 0.00 176.35 173.59 2key s THR 53 N 8.27 0.22 0.25 3.68 -4.23 -1.26 -4.84 115.64 117.74 2key s THR 53 Ca 0.59 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.07 2key s THR 53 Cb -0.11 -2.53 0.22 0.00 1.34 0.00 0.00 72.50 71.42 2key s THR 53 CO 0.17 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 175.97 2key h GLU 54 N 2.39 0.75 -0.63 3.99 4.81 -1.91 -1.26 114.58 122.73 2key h GLU 54 Ca -0.35 -0.05 0.12 0.00 -0.13 0.00 0.00 59.36 58.96 2key h GLU 54 Cb 1.25 -0.17 -0.09 0.00 0.63 0.00 0.00 28.75 30.37 2key h GLU 54 CO 0.53 0.50 0.12 0.22 -0.73 0.00 0.00 179.01 179.64 2key h ASP 55 N 0.77 -0.03 -0.17 1.04 3.58 -1.93 0.56 116.42 120.24 2key h ASP 55 Ca 0.41 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.98 2key h ASP 55 Cb 0.40 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2key h ASP 55 CO -0.26 -0.02 0.09 0.15 -2.88 0.00 0.00 179.24 176.32 2key h PHE 56 N 0.24 0.23 -0.75 0.28 3.57 -1.52 -0.02 116.94 118.98 2key h PHE 56 Ca 0.33 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.87 2key h PHE 56 Cb 0.52 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 2key h PHE 56 CO -0.27 0.23 0.46 -0.07 -2.23 0.00 0.00 178.31 176.43 2key h LEU 57 N 0.17 0.72 0.48 0.59 -0.00 -0.71 0.14 115.31 116.70 2key h LEU 57 Ca 0.06 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.93 2key h LEU 57 Cb 0.07 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2key h LEU 57 CO -0.01 0.48 -0.23 0.03 -0.00 0.00 0.00 178.44 178.71 2key h ARG 58 N 0.86 -0.62 -0.58 1.13 3.08 -0.65 -0.56 114.38 117.04 2key h ARG 58 Ca 0.32 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.45 2key h ARG 58 Cb 0.10 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 2key h ARG 58 CO -0.15 -0.34 0.33 0.22 -1.07 0.00 0.00 179.97 178.97 2key h ASP 59 N -0.81 0.52 -0.16 7.04 3.58 -0.79 -0.94 116.42 124.86 2key h ASP 59 Ca -0.07 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.27 2key h ASP 59 Cb 0.57 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 2key h ASP 59 CO 0.11 0.36 -0.33 0.22 -2.88 0.00 0.00 179.24 176.71 2key h TYR 60 N 0.65 0.78 -0.07 0.28 3.20 -0.74 -1.31 116.97 119.75 2key h TYR 60 Ca 0.24 -0.21 0.01 0.00 3.14 0.00 0.00 58.73 61.92 2key h TYR 60 Cb 0.08 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 2key h TYR 60 CO -0.07 0.91 -0.01 1.25 -1.64 0.00 0.00 178.16 178.60 2key h LEU 61 N 0.56 -0.04 -0.31 2.82 5.85 -0.55 -0.16 115.31 123.48 2key h LEU 61 Ca 0.06 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2key h LEU 61 Cb 0.84 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 2key h LEU 61 CO 0.07 -0.01 0.11 0.40 -0.34 0.00 0.00 178.44 178.67 2key h ILE 62 N 0.02 0.92 -0.84 4.05 1.08 -0.96 -0.55 117.51 121.22 2key h ILE 62 Ca 0.03 -0.09 0.07 0.00 -0.39 0.00 0.00 64.86 64.49 2key h ILE 62 Cb 0.05 0.65 -0.07 0.00 -3.07 0.00 0.00 36.82 34.38 2key h ILE 62 CO -0.07 0.05 0.51 0.22 -0.69 0.00 0.00 178.15 178.17 2key h TYR 63 N 0.25 0.93 -0.40 1.37 3.20 -0.96 0.42 116.97 121.77 2key h TYR 63 Ca 0.14 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.90 2key h TYR 63 Cb 0.10 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2key h TYR 63 CO -0.13 0.44 -0.28 1.98 -1.64 0.00 0.00 178.16 178.53 2key h MET 64 N 0.89 0.85 0.00 1.82 4.05 -0.36 0.14 114.93 122.32 2key h MET 64 Ca 0.38 -0.38 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 2key h MET 64 Cb 0.24 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 2key h MET 64 CO -0.20 1.02 -0.75 1.57 0.23 0.00 0.00 176.91 178.78 2key h LYS 65 N 0.72 0.00 0.00 0.39 2.10 -0.62 -0.63 116.57 118.53 2key h LYS 65 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2key h LYS 65 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2key h LYS 65 CO 0.07 0.24 -0.42 1.17 -2.00 0.00 0.00 179.45 178.51 2key n LYS 66 N -2.99 0.36 -0.03 0.07 0.00 0.14 -2.97 118.16 112.74 2key n LYS 66 Ca -0.01 0.46 -0.15 0.00 0.00 0.00 0.00 58.31 58.61 2key n LYS 66 Cb 0.68 -1.49 -0.11 0.00 0.00 0.00 0.00 35.03 34.11 2key n LYS 66 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2key h THR 67 N -0.79 1.51 0.00 3.15 2.02 -0.90 -3.27 112.91 114.62 2key h THR 67 Ca 0.00 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.40 2key h THR 67 Cb 0.42 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 2key h THR 67 CO 0.00 0.49 -0.36 -0.07 0.37 0.00 0.00 175.52 175.94 2key h LEU 68 N -0.45 0.00 2.27 2.58 3.38 -1.37 -3.48 115.31 118.25 2key h LEU 68 Ca -0.02 -0.04 -0.32 0.00 0.09 0.00 0.00 57.88 57.59 2key h LEU 68 Cb 0.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2key h LEU 68 CO 0.04 0.02 -0.41 0.00 0.09 0.00 0.00 178.44 178.18 2key s ASN 70 N -2.28 6.72 0.75 0.00 0.02 -0.37 -4.92 114.94 114.85 2key s ASN 70 Ca 0.00 1.04 -0.09 0.00 -1.02 0.00 0.00 52.86 52.79 2key s ASN 70 Cb 0.00 -2.27 0.07 0.00 0.02 0.00 0.00 41.25 39.07 2key s ASN 70 CO 0.00 -0.04 1.09 0.00 0.02 0.00 0.00 177.10 178.17 2key s ALA 71 N -1.74 2.93 0.19 0.60 0.00 -1.26 -3.80 121.76 118.69 2key s ALA 71 Ca 0.46 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 2key s ALA 71 Cb -0.12 -2.74 0.12 0.00 0.00 0.00 0.00 23.12 20.37 2key s ALA 71 CO 0.20 -1.49 1.86 0.38 0.00 0.00 0.00 175.76 176.71 2key h ASP 72 N -0.81 0.75 0.00 0.00 2.03 -1.98 0.53 116.42 116.93 2key h ASP 72 Ca -0.45 -0.02 -0.00 0.00 -0.73 0.00 0.00 57.03 55.83 2key h ASP 72 Cb 1.32 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2key h ASP 72 CO 0.62 0.54 -0.00 0.28 -1.03 0.00 0.00 179.24 179.65 2key h SER 73 N 0.88 0.00 0.00 4.15 0.02 -1.99 0.17 113.55 116.78 2key h SER 73 Ca 0.24 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.08 2key h SER 73 Cb -0.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2key h SER 73 CO -0.05 0.00 -0.69 0.74 -1.14 0.00 0.00 176.83 175.69 2key h THR 74 N 0.00 0.78 -0.69 -2.27 2.02 -1.56 -3.38 112.91 107.81 2key h THR 74 Ca -0.00 -1.81 -0.03 0.00 0.77 0.00 0.00 66.41 65.34 2key h THR 74 Cb 0.00 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 2key h THR 74 CO 0.00 0.26 0.32 0.00 0.37 0.00 0.00 175.52 176.47 2key h ALA 75 N -0.57 0.90 -0.50 6.16 0.00 0.36 -2.33 119.26 123.28 2key h ALA 75 Ca -0.16 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.63 2key h ALA 75 Cb 0.91 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2key h ALA 75 CO -0.10 0.48 0.33 1.96 0.00 0.00 0.00 179.25 181.92 2key h GLN 76 N 0.97 0.53 0.00 0.00 7.50 -0.88 0.26 115.11 123.48 2key h GLN 76 Ca 0.24 -0.03 -0.19 0.00 0.50 0.00 0.00 58.65 59.17 2key h GLN 76 Cb 0.15 -0.12 -0.03 0.00 0.05 0.00 0.00 27.48 27.53 2key h GLN 76 CO -0.03 0.35 -0.90 0.00 -1.50 0.00 0.00 178.83 176.76 2key h ARG 77 N 0.54 0.02 -0.08 1.46 -0.00 -1.60 -1.79 114.38 112.93 2key h ARG 77 Ca 0.20 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.98 59.52 2key h ARG 77 Cb 0.13 0.01 0.01 0.00 0.00 0.00 0.00 29.97 30.11 2key h ARG 77 CO -0.05 0.90 -0.49 -0.97 0.00 0.00 0.00 179.97 179.35 2key h ASN 78 N 0.01 0.57 -0.29 7.04 -1.24 -0.93 -3.09 115.58 117.65 2key h ASN 78 Ca -0.01 -0.66 0.02 0.00 0.71 0.00 0.00 56.30 56.35 2key h ASN 78 Cb 1.58 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.44 2key h ASN 78 CO 0.12 1.15 0.19 -0.07 -1.29 0.00 0.00 177.43 177.53 2key h LEU 79 N 0.04 0.27 -2.33 0.34 3.38 -0.53 -0.49 115.31 116.00 2key h LEU 79 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2key h LEU 79 Cb 1.15 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2key h LEU 79 CO 0.10 0.19 0.01 0.28 0.09 0.00 0.00 178.44 179.12 2key h SER 80 N 0.32 0.00 -0.00 -0.43 0.02 -1.24 -0.04 113.55 112.19 2key h SER 80 Ca 0.11 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.90 2key h SER 80 Cb 0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2key h SER 80 CO -0.02 0.00 -0.55 0.00 -1.14 0.00 0.00 176.83 175.11 2key h THR 81 N 0.00 1.32 0.00 -2.27 1.03 -1.11 -2.24 112.91 109.64 2key h THR 81 Ca 0.01 -1.80 -0.19 0.00 -0.01 0.00 0.00 66.41 64.42 2key h THR 81 Cb 0.03 1.76 -0.01 0.00 -1.07 0.00 0.00 68.15 68.86 2key h THR 81 CO -0.00 0.56 -0.86 0.40 -0.01 0.00 0.00 175.52 175.61 2key h ILE 82 N 0.45 1.50 -0.79 0.00 2.04 -1.47 -3.21 117.51 116.03 2key h ILE 82 Ca 0.01 -2.62 0.07 0.00 1.00 0.00 0.00 64.86 63.32 2key h ILE 82 Cb 1.10 2.46 -0.05 0.00 -0.74 0.00 0.00 36.82 39.59 2key h ILE 82 CO 0.11 0.76 0.52 0.50 0.00 0.00 0.00 178.15 180.03 2key h LYS 83 N 0.10 0.80 -0.90 2.37 3.64 -0.68 -0.24 116.57 121.66 2key h LYS 83 Ca -0.04 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2key h LYS 83 Cb 1.49 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 33.07 2key h LYS 83 CO 0.13 0.53 0.59 0.82 -2.27 0.00 0.00 179.45 179.25 2key h ILE 84 N 0.83 1.16 -0.07 2.00 2.04 -1.41 0.70 117.51 122.76 2key h ILE 84 Ca 0.35 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2key h ILE 84 Cb 0.28 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 2key h ILE 84 CO -0.12 0.21 -0.06 0.22 0.00 0.00 0.00 178.15 178.39 2key h TYR 85 N 1.15 0.19 -0.03 1.37 3.20 -1.24 -0.27 116.97 121.34 2key h TYR 85 Ca 0.36 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.17 2key h TYR 85 Cb -0.02 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 2key h TYR 85 CO -0.01 0.60 0.02 0.28 -1.64 0.00 0.00 178.16 177.41 2key h VAL 86 N -0.27 1.01 -0.70 1.81 2.07 -0.81 0.25 116.25 119.61 2key h VAL 86 Ca 0.01 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2key h VAL 86 Cb 0.57 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2key h VAL 86 CO 0.02 0.01 0.31 0.28 0.02 0.00 0.00 177.57 178.20 2key h SER 87 N 0.04 0.91 -0.39 0.57 0.02 0.39 0.16 113.55 115.26 2key h SER 87 Ca 0.01 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 2key h SER 87 Cb -0.00 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2key h SER 87 CO -0.00 0.79 -0.02 0.00 -1.14 0.00 0.00 176.83 176.46 2key h ALA 88 N 1.35 1.09 0.00 3.77 0.00 -0.75 -0.77 119.26 123.93 2key h ALA 88 Ca 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2key h ALA 88 Cb 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2key h ALA 88 CO -0.03 0.57 -0.16 0.00 0.00 0.00 0.00 179.25 179.64 2key h ALA 89 N 1.25 1.10 0.21 0.00 0.00 0.21 0.12 119.26 122.15 2key h ALA 89 Ca 0.14 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 2key h ALA 89 Cb 0.47 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.27 2key h ALA 89 CO 0.02 0.20 -1.40 0.82 0.00 0.00 0.00 179.25 178.89 2key h ILE 90 N 0.00 1.33 0.05 0.00 2.04 -0.28 0.48 117.51 121.12 2key h ILE 90 Ca -0.00 -2.74 -0.14 0.00 1.00 0.00 0.00 64.86 62.98 2key h ILE 90 Cb 0.56 2.98 0.01 0.00 -0.74 0.00 0.00 36.82 39.63 2key h ILE 90 CO 0.02 0.82 -0.59 0.50 0.00 0.00 0.00 178.15 178.90 2key h LYS 91 N 0.15 0.32 -0.06 2.37 3.11 -0.76 -3.41 116.57 118.29 2key h LYS 91 Ca -0.22 -0.40 -0.19 0.00 -2.81 0.00 0.00 60.65 57.03 2key h LYS 91 Cb 2.10 0.13 -0.38 0.00 -1.00 0.00 0.00 32.23 33.08 2key h LYS 91 CO 0.26 1.12 -1.01 0.36 -2.81 0.00 0.00 179.45 177.36 2key n LYS 92 N -4.25 0.25 0.00 1.90 2.85 0.38 -5.01 118.16 114.28 2key n LYS 92 Ca -0.11 -2.16 0.00 0.00 -1.05 0.00 0.00 58.31 54.99 2key n LYS 92 Cb 0.69 -0.20 0.00 0.00 -0.65 0.00 0.00 35.03 34.87 2key n LYS 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2key n GLY 93 N 0.31 0.95 0.00 2.58 0.00 -0.71 -4.88 105.19 103.43 2key n GLY 93 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.00 -1.64 1.61 9.36 0.16 -4.98 117.16 121.66 2key n TYR 94 Ca 0.00 0.00 -0.47 0.00 3.32 0.00 0.00 57.90 60.75 2key n TYR 94 Cb 0.00 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.67 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 -0.75 1.81 -0.00 2.98 2.81 -0.55 -4.91 117.12 118.51 2key n MET 95 Ca 0.00 0.65 -0.17 0.00 -1.81 0.00 0.00 57.70 56.37 2key n MET 95 Cb 0.00 -2.34 -0.13 0.00 -0.71 0.00 0.00 33.22 30.04 2key n MET 95 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2key h GLU 96 N 5.03 0.22 -4.57 0.03 4.81 -1.88 -3.39 114.58 114.84 2key h GLU 96 Ca -0.45 -0.31 -0.28 0.00 -0.13 0.00 0.00 59.36 58.19 2key h GLU 96 Cb 1.28 0.10 -0.14 0.00 0.63 0.00 0.00 28.75 30.63 2key h GLU 96 CO 0.82 1.08 -0.53 -0.80 -0.73 0.00 0.00 179.01 178.85 2key s ASN 97 N -6.61 0.52 0.22 1.04 -0.87 -1.26 -5.04 114.94 102.93 2key s ASN 97 Ca -0.15 -1.44 -0.20 0.00 -1.57 0.00 0.00 52.86 49.50 2key s ASN 97 Cb 0.01 0.45 -0.08 0.00 -0.02 0.00 0.00 41.25 41.60 2key s ASN 97 CO 0.78 -0.94 0.72 1.51 -2.57 0.00 0.00 177.10 176.60 2key s ASP 98 N -3.20 7.07 0.00 -1.22 -4.77 -1.26 -4.96 116.67 108.33 2key s ASP 98 Ca 0.38 1.43 0.26 0.00 -3.30 0.00 0.00 52.55 51.31 2key s ASP 98 Cb 0.05 -2.42 1.36 0.00 -1.09 0.00 0.00 42.92 40.81 2key s ASP 98 CO 0.16 0.05 1.89 -0.81 0.70 0.00 0.00 175.17 177.15 2key n PRO 99 N 0.79 0.45 0.00 2.11 -0.04 -1.26 -2.82 135.00 134.23 2key n PRO 99 Ca -0.03 0.04 0.10 0.00 -0.04 0.00 0.00 63.50 63.57 2key n PRO 99 Cb 0.51 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.55 2key n PRO 99 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2key n PHE 100 N -1.24 0.00 -0.21 0.54 -1.74 -1.26 -3.67 117.46 109.88 2key n PHE 100 Ca 0.14 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 57.01 2key n PHE 100 Cb 0.19 0.00 0.10 0.00 1.52 0.00 0.00 39.48 41.28 2key n PHE 100 CO 0.00 0.00 0.00 0.87 -0.56 0.00 0.00 176.76 177.07 2key h LYS 101 N 3.99 0.56 -0.41 3.97 1.79 -1.87 -2.44 116.57 122.16 2key h LYS 101 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2key h LYS 101 Cb 0.86 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2key h LYS 101 CO 0.00 0.37 0.00 -3.47 -1.08 0.00 0.00 179.45 175.27 2key n ASP 102 N -4.86 4.34 -0.36 0.86 2.03 -1.24 -4.08 116.55 113.24 2key n ASP 102 Ca 0.08 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.63 2key n ASP 102 Cb 0.20 -0.54 0.14 0.00 -0.72 0.00 0.00 41.12 40.20 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 2.74 1.20 0.00 -0.67 3.04 -1.57 -3.45 116.94 118.23 2key h PHE 103 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2key h PHE 103 Cb 1.47 -0.40 0.00 0.00 2.56 0.00 0.00 35.95 39.58 2key h PHE 103 CO 0.65 0.69 0.00 0.41 -2.02 0.00 0.00 178.31 178.03 2key n GLY 104 N -1.36 -1.82 0.22 2.40 0.00 -1.26 -5.00 105.19 98.37 2key n GLY 104 Ca 0.13 0.59 -0.05 0.00 0.00 0.00 0.00 46.02 46.69 2key n GLY 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2key h LEU 105 N 0.00 0.50 -8.90 0.99 6.46 -1.89 -3.39 115.31 109.09 2key h LEU 105 Ca 0.00 0.01 -0.65 0.00 -0.12 0.00 0.00 57.88 57.12 2key h LEU 105 Cb 0.00 -0.09 -0.21 0.00 -0.73 0.00 0.00 40.66 39.62 2key h LEU 105 CO 0.00 0.35 -0.68 -1.61 -0.62 0.00 0.00 178.44 175.88 2key s GLU 106 N -6.13 3.46 0.06 1.25 2.02 -1.26 -5.08 118.70 113.01 2key s GLU 106 Ca -0.13 -0.53 0.06 0.00 0.02 0.00 0.00 54.97 54.39 2key s GLU 106 Cb 0.13 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 2key s GLU 106 CO 0.74 0.34 -0.18 -1.01 0.02 0.00 0.00 175.26 175.17 2key s HIS 107 N 0.09 1.54 -1.09 1.61 3.76 -1.26 -3.66 115.29 116.27 2key s HIS 107 Ca -0.01 -0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 54.49 2key s HIS 107 Cb -0.14 -0.90 0.00 0.00 1.11 0.00 0.00 32.58 32.66 2key s HIS 107 CO 0.03 0.09 0.93 1.58 -0.85 0.00 0.00 174.74 176.52 2key n HIS 108 N 1.67 -2.14 -0.80 1.40 -0.00 -1.26 -1.70 115.22 112.39 2key n HIS 108 Ca -0.18 0.84 0.00 0.00 -0.00 0.00 0.00 57.72 58.38 2key n HIS 108 Cb 0.54 -4.59 0.00 0.00 -0.00 0.00 0.00 29.99 25.94 2key n HIS 108 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2key n HIS 109 N -4.11 0.00 -1.01 1.57 -0.00 -1.26 -4.46 115.22 105.96 2key n HIS 109 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 2key n HIS 109 Cb 0.61 -0.95 0.00 0.00 -0.00 0.00 0.00 29.99 29.65 2key n HIS 109 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2key n HIS 110 N -2.12 -2.42 -1.58 1.57 -0.00 -0.69 -4.79 115.22 105.19 2key n HIS 110 Ca 0.00 1.31 -0.46 0.00 -0.00 0.00 0.00 57.72 58.57 2key n HIS 110 Cb 0.08 -2.65 -0.04 0.00 -0.00 0.00 0.00 29.99 27.38 2key n HIS 110 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2key n HIS 111 N 0.22 1.97 1.10 1.57 -0.00 -1.26 -5.02 115.22 113.79 2key n HIS 111 Ca 0.00 -0.03 0.12 0.00 -0.00 0.00 0.00 57.72 57.81 2key n HIS 111 Cb 0.00 -2.68 0.18 0.00 -0.00 0.00 0.00 29.99 27.50 2key n HIS 111 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92