#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 3.04 -0.40 3.17 6.03 -1.26 -5.06 114.94 120.47 2key s ASN 2 Ca 0.00 -2.08 0.02 0.00 -1.03 0.00 0.00 52.86 49.76 2key s ASN 2 Cb 0.00 -0.40 0.15 0.00 -3.03 0.00 0.00 41.25 37.97 2key s ASN 2 CO 0.00 -0.32 0.25 0.20 -2.03 0.00 0.00 177.10 175.20 2key s ASN 3 N 1.18 2.93 -0.97 3.54 -0.87 -1.26 -5.07 114.94 114.43 2key s ASN 3 Ca 0.17 -2.53 -0.25 0.00 -1.57 0.00 0.00 52.86 48.68 2key s ASN 3 Cb -0.22 -0.62 -0.12 0.00 -0.02 0.00 0.00 41.25 40.26 2key s ASN 3 CO -0.03 -0.26 2.11 -2.84 -2.57 0.00 0.00 177.10 173.51 2key s PRO 4 N 0.59 1.96 -0.58 -0.60 0.02 -1.26 -4.01 135.00 131.12 2key s PRO 4 Ca 0.21 -0.28 -0.09 0.00 0.02 0.00 0.00 61.00 60.86 2key s PRO 4 Cb -0.18 -5.00 0.01 0.00 0.02 0.00 0.00 34.50 29.35 2key s PRO 4 CO -0.04 -4.29 0.65 0.43 -0.33 0.00 0.00 177.00 173.42 2key n SER 5 N 16.68 -7.76 -0.46 2.53 7.64 -1.26 -4.90 113.62 126.09 2key n SER 5 Ca 0.43 0.20 0.08 0.00 1.01 0.00 0.00 58.87 60.59 2key n SER 5 Cb 0.46 -5.19 0.28 0.00 -1.01 0.00 0.00 64.21 58.75 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 1.37 -4.34 6.43 2.03 -1.26 -4.76 116.55 114.99 2key n ASP 6 Ca 0.05 -1.81 -0.38 0.00 0.52 0.00 0.00 54.79 53.17 2key n ASP 6 Cb 0.49 -0.13 -0.12 0.00 -0.72 0.00 0.00 41.12 40.64 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 -1.74 3.18 -0.27 -0.67 -0.71 -1.26 -4.93 117.98 111.58 2key s PHE 7 Ca 0.25 -1.02 0.22 0.00 -1.04 0.00 0.00 56.93 55.35 2key s PHE 7 Cb 0.13 -2.29 -0.09 0.00 -1.21 0.00 0.00 43.02 39.57 2key s PHE 7 CO 0.19 -0.60 0.87 1.63 -1.34 0.00 0.00 175.22 175.98 2key n LYS 8 N 4.88 0.54 -4.21 1.99 5.02 -1.26 -4.76 118.16 120.36 2key n LYS 8 Ca -0.14 -0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.87 2key n LYS 8 Cb 0.47 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.72 2key n LYS 8 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2key s SER 9 N -4.76 4.61 0.25 4.39 0.15 -1.26 -4.11 113.70 112.97 2key s SER 9 Ca -0.02 -0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.22 2key s SER 9 Cb 0.12 -0.94 0.44 0.00 -1.71 0.00 0.00 66.02 63.93 2key s SER 9 CO 0.83 0.13 1.81 2.19 1.20 0.00 0.00 173.24 179.40 2key h PHE 10 N 3.15 0.90 0.00 3.44 -0.00 -1.04 0.20 116.94 123.58 2key h PHE 10 Ca -0.48 0.03 -0.07 0.00 -0.00 0.00 0.00 57.97 57.46 2key h PHE 10 Cb 1.18 -0.27 -0.01 0.00 -0.00 0.00 0.00 35.95 36.85 2key h PHE 10 CO 0.62 0.35 -0.32 1.12 -0.00 0.00 0.00 178.31 180.08 2key h HIS 11 N 0.81 0.00 0.18 6.09 2.07 -1.89 -0.05 115.15 122.36 2key h HIS 11 Ca 0.42 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.64 2key h HIS 11 Cb 0.41 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.41 2key h HIS 11 CO -0.05 0.32 -1.34 -0.44 -3.07 0.00 0.00 177.93 173.34 2key h ASP 12 N 0.00 0.60 -0.04 3.10 3.32 -1.59 -2.78 116.42 119.03 2key h ASP 12 Ca -0.00 -0.65 -0.00 0.00 0.02 0.00 0.00 57.03 56.40 2key h ASP 12 Cb 0.87 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 2key h ASP 12 CO 0.04 1.51 0.02 0.15 -1.72 0.00 0.00 179.24 179.24 2key h PHE 13 N 0.11 0.06 -0.33 4.55 3.04 -0.19 -2.10 116.94 122.07 2key h PHE 13 Ca -0.19 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.77 2key h PHE 13 Cb 2.06 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 40.53 2key h PHE 13 CO 0.09 0.14 0.20 0.28 -2.02 0.00 0.00 178.31 177.00 2key h VAL 14 N -0.04 1.05 -0.49 1.41 2.07 -1.13 0.85 116.25 119.98 2key h VAL 14 Ca 0.01 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2key h VAL 14 Cb 0.10 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 2key h VAL 14 CO -0.00 0.08 0.33 0.00 0.02 0.00 0.00 177.57 177.99 2key h ALA 15 N 1.14 1.96 0.00 1.67 0.00 -1.33 0.29 119.26 122.98 2key h ALA 15 Ca 0.13 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2key h ALA 15 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2key h ALA 15 CO -0.05 -0.05 -0.44 1.03 0.00 0.00 0.00 179.25 179.74 2key h SER 16 N 0.38 0.00 0.34 0.00 0.87 -0.90 -3.36 113.55 110.89 2key h SER 16 Ca 0.21 -0.72 -0.05 0.00 -1.23 0.00 0.00 61.79 60.00 2key h SER 16 Cb 0.36 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2key h SER 16 CO -0.05 1.12 -0.23 0.22 -0.53 0.00 0.00 176.83 177.35 2key h TYR 17 N -1.00 0.00 -0.65 2.24 3.20 -0.64 -2.61 116.97 117.51 2key h TYR 17 Ca -0.12 0.00 0.19 0.00 3.14 0.00 0.00 58.73 61.94 2key h TYR 17 Cb 1.01 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 2key h TYR 17 CO 0.18 0.23 0.54 1.98 -1.64 0.00 0.00 178.16 179.45 2key h MET 18 N 0.00 0.00 -0.93 1.82 4.05 -0.58 -0.21 114.93 119.08 2key h MET 18 Ca -0.00 0.00 0.26 0.00 -0.28 0.00 0.00 59.70 59.68 2key h MET 18 Cb 0.47 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.23 2key h MET 18 CO 0.03 0.00 0.66 1.57 0.23 0.00 0.00 176.91 179.40 2key h LYS 19 N 0.00 0.03 0.00 0.39 2.10 -1.66 0.67 116.57 118.10 2key h LYS 19 Ca 0.31 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.91 2key h LYS 19 Cb 1.38 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.70 2key h LYS 19 CO -0.00 0.02 -0.25 1.15 -2.00 0.00 0.00 179.45 178.37 2key h THR 20 N 0.03 0.61 0.00 0.07 2.02 -1.27 -2.92 112.91 111.45 2key h THR 20 Ca 0.44 -1.18 -0.34 0.00 0.77 0.00 0.00 66.41 66.10 2key h THR 20 Cb 1.73 1.78 -0.06 0.00 -1.74 0.00 0.00 68.15 69.86 2key h THR 20 CO -0.02 0.24 -2.30 -1.22 0.37 0.00 0.00 175.52 172.59 2key n TYR 21 N -3.42 0.00 0.25 3.16 4.01 0.18 -4.36 117.16 116.98 2key n TYR 21 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 2key n TYR 21 Cb 0.44 -0.91 0.67 0.00 -0.31 0.00 0.00 39.34 39.22 2key n TYR 21 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2key h SER 22 N 0.00 0.00 0.73 7.72 4.64 0.01 0.81 113.55 127.46 2key h SER 22 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2key h SER 22 Cb 2.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 2key h SER 22 CO -0.01 0.14 0.00 -0.09 -0.87 0.00 0.00 176.83 176.00 2key h ARG 23 N 0.00 0.00 0.00 4.77 1.12 -1.71 -2.63 114.38 115.93 2key h ARG 23 Ca -0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 2key h ARG 23 Cb 0.45 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.36 2key h ARG 23 CO 0.02 0.00 -0.35 2.89 -3.11 0.00 0.00 179.97 179.42 2key n ARG 24 N -2.74 0.88 -4.57 0.20 1.85 0.06 -5.04 116.66 107.29 2key n ARG 24 Ca 0.01 -2.27 -0.26 0.00 -1.00 0.00 0.00 57.85 54.32 2key n ARG 24 Cb 0.23 -1.10 -0.10 0.00 -1.05 0.00 0.00 32.46 30.44 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 -1.90 2.41 0.51 2.89 2.96 0.05 -5.05 118.68 120.55 2key s LEU 25 Ca 0.26 -1.47 0.01 0.00 -0.22 0.00 0.00 54.13 52.71 2key s LEU 25 Cb 0.24 -0.58 0.02 0.00 0.50 0.00 0.00 46.19 46.37 2key s LEU 25 CO -0.02 -0.64 0.73 -1.83 -1.32 0.00 0.00 176.35 173.27 2key s GLU 26 N -3.80 2.76 0.25 1.98 4.04 -1.26 -4.88 118.70 117.78 2key s GLU 26 Ca 0.29 -0.65 0.13 0.00 0.04 0.00 0.00 54.97 54.77 2key s GLU 26 Cb 0.07 -2.51 0.14 0.00 0.02 0.00 0.00 34.13 31.85 2key s GLU 26 CO 0.14 -0.54 1.47 0.82 -1.84 0.00 0.00 175.26 175.32 2key h ILE 27 N 0.20 1.21 -0.01 1.83 1.08 -1.99 -3.28 117.51 116.55 2key h ILE 27 Ca -0.44 -2.44 0.02 0.00 -0.39 0.00 0.00 64.86 61.62 2key h ILE 27 Cb 1.28 2.42 -0.06 0.00 -3.07 0.00 0.00 36.82 37.39 2key h ILE 27 CO 0.54 0.63 -0.51 1.23 -0.69 0.00 0.00 178.15 179.36 2key h GLY 28 N 2.84 -1.03 1.06 5.37 0.00 -1.99 0.25 103.07 109.56 2key h GLY 28 Ca -0.01 0.62 -0.18 0.00 0.00 0.00 0.00 47.33 47.76 2key h GLY 28 CO 0.08 -0.24 -0.60 0.00 0.00 0.00 0.00 176.54 175.79 2key h THR 29 N -0.65 1.31 -0.31 4.70 1.03 -2.00 -2.78 112.91 114.21 2key h THR 29 Ca 0.02 -1.83 0.07 0.00 -0.01 0.00 0.00 66.41 64.67 2key h THR 29 Cb 0.71 1.94 -0.08 0.00 -1.07 0.00 0.00 68.15 69.65 2key h THR 29 CO -0.35 0.57 -0.28 0.15 -0.01 0.00 0.00 175.52 175.60 2key h PHE 30 N 0.43 -0.75 0.00 0.00 3.57 -1.54 -1.43 116.94 117.22 2key h PHE 30 Ca -0.02 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2key h PHE 30 Cb 1.22 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.33 2key h PHE 30 CO 0.09 -0.35 -0.35 0.07 -2.23 0.00 0.00 178.31 175.54 2key h ARG 31 N -0.25 0.00 -0.25 1.11 0.11 -0.55 -0.46 114.38 114.09 2key h ARG 31 Ca 0.15 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.10 2key h ARG 31 Cb 0.50 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.58 2key h ARG 31 CO -0.45 0.35 -0.36 0.45 0.10 0.00 0.00 179.97 180.06 2key h HIS 32 N 0.00 0.83 0.00 4.08 3.86 -1.08 -2.96 115.15 119.89 2key h HIS 32 Ca -0.00 -0.28 -0.10 0.00 -1.16 0.00 0.00 60.37 58.82 2key h HIS 32 Cb 0.66 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 2key h HIS 32 CO 0.00 1.04 -0.49 0.45 0.86 0.00 0.00 177.93 179.78 2key h HIS 33 N 0.40 0.00 -0.12 2.45 3.86 -1.12 -3.25 115.15 117.37 2key h HIS 33 Ca 0.03 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2key h HIS 33 Cb 0.94 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 2key h HIS 33 CO 0.08 0.49 0.03 -0.22 0.86 0.00 0.00 177.93 179.17 2key h LYS 34 N 0.00 0.08 -0.31 2.45 3.64 -0.96 -1.71 116.57 119.76 2key h LYS 34 Ca -0.00 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2key h LYS 34 Cb 1.25 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 2key h LYS 34 CO 0.06 0.05 -0.26 0.77 -2.27 0.00 0.00 179.45 177.81 2key h SER 35 N 0.08 0.64 0.46 4.20 0.02 -1.61 -3.23 113.55 114.11 2key h SER 35 Ca 0.05 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 2key h SER 35 Cb 0.04 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2key h SER 35 CO -0.06 0.88 -0.22 0.00 -1.14 0.00 0.00 176.83 176.29 2key h MET 37 N -0.82 0.00 0.06 0.00 2.86 -1.39 -0.95 114.93 114.68 2key h MET 37 Ca -0.06 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2key h MET 37 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2key h MET 37 CO 0.10 0.03 -0.03 -0.09 1.06 0.00 0.00 176.91 177.98 2key h ARG 38 N 0.00 -0.08 0.00 1.72 9.65 -1.56 -3.18 114.38 120.93 2key h ARG 38 Ca -0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2key h ARG 38 Cb 0.07 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 2key h ARG 38 CO 0.00 0.44 0.00 0.36 2.80 0.00 0.00 179.97 183.57 2key n LYS 39 N -4.87 0.36 0.00 0.20 2.85 -1.02 -3.42 118.16 112.26 2key n LYS 39 Ca -0.09 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.22 2key n LYS 39 Cb 0.28 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.43 2key n LYS 39 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2key n PHE 40 N -1.32 0.00 1.07 5.58 7.35 -0.39 -3.73 117.46 126.01 2key n PHE 40 Ca 0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 2key n PHE 40 Cb 0.26 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.09 2key n PHE 40 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2key n LYS 41 N -0.78 0.89 -0.01 -4.13 5.02 -1.22 -3.78 118.16 114.14 2key n LYS 41 Ca 0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.27 2key n LYS 41 Cb 0.03 -1.35 0.07 0.00 -0.02 0.00 0.00 35.03 33.76 2key n LYS 41 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2key h GLU 42 N 0.09 0.58 0.00 1.97 4.11 -1.91 -2.82 114.58 116.60 2key h GLU 42 Ca 0.00 -0.33 0.00 0.00 0.07 0.00 0.00 59.36 59.10 2key h GLU 42 Cb 0.35 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2key h GLU 42 CO 0.00 0.93 -0.37 1.88 0.07 0.00 0.00 179.01 181.52 2key h TYR 43 N 0.46 0.00 -1.33 2.06 -1.99 -1.93 -3.50 116.97 110.75 2key h TYR 43 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2key h TYR 43 Cb 1.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.73 2key h TYR 43 CO 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.20 2key n GLU 45 N -0.82 -1.40 -0.06 0.00 4.07 -1.26 -4.88 120.64 116.29 2key n GLU 45 Ca 0.00 1.14 -0.22 0.00 -0.06 0.00 0.00 57.16 58.02 2key n GLU 45 Cb 0.00 -1.60 -0.12 0.00 -0.06 0.00 0.00 31.44 29.66 2key n GLU 45 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2key h GLY 46 N -0.51 0.11 -3.16 8.31 0.00 -1.95 -3.43 103.07 102.44 2key h GLY 46 Ca -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2key h GLY 46 CO 0.03 0.25 -0.42 -0.10 0.00 0.00 0.00 176.54 176.30 2key n LEU 47 N -4.11 -3.80 0.00 3.11 0.00 -1.26 -0.55 117.00 110.39 2key n LEU 47 Ca -0.32 1.09 0.00 0.00 0.00 0.00 0.00 56.01 56.78 2key n LEU 47 Cb 0.81 -1.89 0.00 0.00 0.00 0.00 0.00 43.42 42.34 2key n LEU 47 CO 0.27 -1.21 0.00 0.00 0.00 0.00 0.00 177.39 176.45 2key n GLN 48 N 0.71 1.07 -0.31 1.96 3.00 -1.26 -4.44 117.38 118.11 2key n GLN 48 Ca -0.02 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.01 2key n GLN 48 Cb 0.04 0.00 0.24 0.00 0.00 0.00 0.00 30.24 30.52 2key n GLN 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 2key h PHE 49 N -0.11 1.05 0.00 1.08 0.04 -1.98 -2.39 116.94 114.62 2key h PHE 49 Ca 0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 2key h PHE 49 Cb 0.00 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 37.80 2key h PHE 49 CO 0.00 0.54 -0.08 1.25 -0.60 0.00 0.00 178.31 179.42 2key h HIS 50 N 1.02 0.00 0.00 -0.55 2.76 -2.03 -3.03 115.15 113.32 2key h HIS 50 Ca 0.40 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 2key h HIS 50 Cb 0.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.19 2key h HIS 50 CO -0.00 0.08 -0.53 0.93 -1.30 0.00 0.00 177.93 177.11 2key h GLU 51 N 0.00 0.00 -5.70 5.26 3.07 -1.80 -3.42 114.58 111.99 2key h GLU 51 Ca -0.00 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.25 2key h GLU 51 Cb 1.06 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.84 2key h GLU 51 CO 0.01 0.00 0.84 -1.17 -1.40 0.00 0.00 179.01 177.29 2key s LEU 52 N -4.69 4.06 0.37 1.33 1.98 -1.08 -4.86 118.68 115.78 2key s LEU 52 Ca 0.06 -1.07 0.09 0.00 -2.89 0.00 0.00 54.13 50.31 2key s LEU 52 Cb 0.12 -2.47 -0.07 0.00 0.66 0.00 0.00 46.19 44.42 2key s LEU 52 CO 0.71 -1.50 -0.06 0.42 -1.89 0.00 0.00 176.35 174.04 2key s THR 53 N 4.40 2.15 0.25 3.68 -4.23 -1.26 -4.88 115.64 115.74 2key s THR 53 Ca 0.30 -2.13 -0.05 0.00 -1.18 0.00 0.00 61.69 58.63 2key s THR 53 Cb -0.11 -2.77 0.18 0.00 1.34 0.00 0.00 72.50 71.14 2key s THR 53 CO 0.06 -0.13 1.83 -0.33 -0.54 0.00 0.00 174.62 175.51 2key h GLU 54 N 1.93 1.07 -0.16 3.99 3.07 -1.94 -1.72 114.58 120.82 2key h GLU 54 Ca -0.43 -0.17 -0.10 0.00 -0.50 0.00 0.00 59.36 58.16 2key h GLU 54 Cb 1.25 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 2key h GLU 54 CO 0.74 0.86 -0.32 0.22 -1.40 0.00 0.00 179.01 179.11 2key h ASP 55 N 1.05 0.33 0.09 1.42 3.58 -1.95 0.72 116.42 121.65 2key h ASP 55 Ca 0.25 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2key h ASP 55 Cb 0.18 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2key h ASP 55 CO -0.02 0.64 -0.04 0.15 -2.88 0.00 0.00 179.24 177.08 2key h PHE 56 N 0.28 -0.11 -0.95 0.28 3.57 -1.74 0.42 116.94 118.70 2key h PHE 56 Ca 0.04 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.58 2key h PHE 56 Cb 0.71 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 2key h PHE 56 CO 0.02 0.04 0.62 -0.07 -2.23 0.00 0.00 178.31 176.68 2key h LEU 57 N -0.24 1.01 0.34 0.59 -0.00 -1.09 0.14 115.31 116.06 2key h LEU 57 Ca -0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2key h LEU 57 Cb 0.20 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2key h LEU 57 CO 0.02 0.68 -0.17 -0.09 -0.00 0.00 0.00 178.44 178.88 2key h ARG 58 N 1.16 -0.45 -0.54 1.13 2.43 -0.52 -0.49 114.38 117.11 2key h ARG 58 Ca 0.39 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.55 2key h ARG 58 Cb 0.06 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2key h ARG 58 CO -0.13 -0.23 0.21 0.22 -1.51 0.00 0.00 179.97 178.53 2key h ASP 59 N -0.57 0.76 0.70 -3.80 3.58 0.24 -1.82 116.42 115.51 2key h ASP 59 Ca -0.05 -0.18 -0.12 0.00 0.42 0.00 0.00 57.03 57.11 2key h ASP 59 Cb 0.42 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 2key h ASP 59 CO 0.08 0.73 -0.57 0.22 -2.88 0.00 0.00 179.24 176.82 2key h TYR 60 N 0.74 0.00 0.14 0.28 5.03 -0.78 0.23 116.97 122.61 2key h TYR 60 Ca 0.18 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.49 2key h TYR 60 Cb 0.22 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.49 2key h TYR 60 CO 0.01 0.57 -0.12 1.25 -1.32 0.00 0.00 178.16 178.54 2key h LEU 61 N 0.00 -0.32 -0.11 2.82 5.85 -0.71 0.14 115.31 122.98 2key h LEU 61 Ca -0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2key h LEU 61 Cb 1.07 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2key h LEU 61 CO 0.07 -0.19 0.06 0.40 -0.34 0.00 0.00 178.44 178.45 2key h ILE 62 N -0.28 1.01 -0.58 4.05 2.04 -0.94 -0.88 117.51 121.93 2key h ILE 62 Ca 0.00 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.88 2key h ILE 62 Cb 0.26 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 2key h ILE 62 CO -0.03 0.02 0.27 0.22 0.00 0.00 0.00 178.15 178.64 2key h TYR 63 N 0.14 0.48 -0.36 1.37 3.20 -0.39 0.68 116.97 122.10 2key h TYR 63 Ca 0.04 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 2key h TYR 63 Cb -0.00 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2key h TYR 63 CO -0.08 0.20 -0.36 1.98 -1.64 0.00 0.00 178.16 178.25 2key h MET 64 N 0.50 0.87 -0.12 1.82 4.05 -0.54 0.16 114.93 121.68 2key h MET 64 Ca 0.27 -0.46 -0.22 0.00 -0.28 0.00 0.00 59.70 59.02 2key h MET 64 Cb 0.25 0.02 0.01 0.00 -0.80 0.00 0.00 31.60 31.08 2key h MET 64 CO -0.22 1.11 -0.77 -0.22 0.23 0.00 0.00 176.91 177.04 2key h LYS 65 N 0.67 0.73 0.00 0.39 3.64 -0.80 -0.90 116.57 120.30 2key h LYS 65 Ca 0.06 -0.63 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2key h LYS 65 Cb 0.95 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2key h LYS 65 CO 0.09 1.23 -0.14 -0.22 -2.27 0.00 0.00 179.45 178.14 2key h LYS 66 N 0.43 0.00 -0.02 1.90 3.64 0.38 -2.97 116.57 119.93 2key h LYS 66 Ca -0.06 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 2key h LYS 66 Cb 1.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2key h LYS 66 CO 0.16 0.00 -0.12 1.15 -2.27 0.00 0.00 179.45 178.36 2key h THR 67 N -0.54 1.52 0.00 1.00 2.02 -0.86 -3.17 112.91 112.89 2key h THR 67 Ca 0.00 -1.71 -0.11 0.00 0.77 0.00 0.00 66.41 65.36 2key h THR 67 Cb 0.14 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 2key h THR 67 CO 0.00 0.46 -0.52 -0.07 0.37 0.00 0.00 175.52 175.76 2key h LEU 68 N -0.53 0.00 -2.36 2.58 3.38 -1.28 -3.49 115.31 113.61 2key h LEU 68 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2key h LEU 68 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2key h LEU 68 CO 0.03 0.52 -0.62 0.00 0.09 0.00 0.00 178.44 178.45 2key s ASN 70 N -1.76 0.35 0.69 0.00 0.01 -1.13 -4.97 114.94 108.13 2key s ASN 70 Ca 0.09 -1.25 -0.11 0.00 -0.71 0.00 0.00 52.86 50.87 2key s ASN 70 Cb -0.03 0.30 0.01 0.00 0.41 0.00 0.00 41.25 41.94 2key s ASN 70 CO 0.63 -0.75 1.08 0.00 -1.51 0.00 0.00 177.10 176.55 2key s ALA 71 N -4.05 2.85 0.25 0.60 0.00 -1.26 -4.60 121.76 115.55 2key s ALA 71 Ca 0.28 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.96 2key s ALA 71 Cb 0.07 -3.06 0.26 0.00 0.00 0.00 0.00 23.12 20.38 2key s ALA 71 CO 0.05 -1.10 1.92 0.38 0.00 0.00 0.00 175.76 177.00 2key h ASP 72 N -0.63 1.11 -0.68 0.00 2.03 -1.99 0.40 116.42 116.66 2key h ASP 72 Ca -0.45 -0.03 -0.03 0.00 -0.73 0.00 0.00 57.03 55.80 2key h ASP 72 Cb 1.23 -0.27 -0.03 0.00 -0.83 0.00 0.00 39.33 39.43 2key h ASP 72 CO 0.62 0.80 0.32 0.28 -1.03 0.00 0.00 179.24 180.23 2key h SER 73 N 1.30 0.90 -0.36 4.15 0.02 -1.98 0.26 113.55 117.84 2key h SER 73 Ca 0.36 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2key h SER 73 Cb -0.13 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.17 2key h SER 73 CO -0.08 0.78 0.06 0.74 -1.14 0.00 0.00 176.83 177.19 2key h THR 74 N 0.95 1.24 -0.05 -2.27 2.02 -1.75 -0.96 112.91 112.09 2key h THR 74 Ca 0.23 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 2key h THR 74 Cb 0.13 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2key h THR 74 CO -0.03 0.28 0.01 0.00 0.37 0.00 0.00 175.52 176.15 2key h ALA 75 N 0.91 0.06 -0.81 6.16 0.00 -0.60 -1.07 119.26 123.90 2key h ALA 75 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2key h ALA 75 Cb 0.35 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2key h ALA 75 CO 0.01 -0.31 0.42 1.96 0.00 0.00 0.00 179.25 181.33 2key h GLN 76 N -0.16 1.14 -0.42 0.00 1.08 -0.47 0.12 115.11 116.41 2key h GLN 76 Ca 0.01 -0.14 -0.05 0.00 -1.45 0.00 0.00 58.65 57.02 2key h GLN 76 Cb 0.25 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2key h GLN 76 CO 0.00 0.86 0.07 0.00 -0.95 0.00 0.00 178.83 178.81 2key h ARG 77 N 1.14 0.69 -0.30 1.46 3.08 -1.06 -0.26 114.38 119.13 2key h ARG 77 Ca 0.28 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 2key h ARG 77 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2key h ARG 77 CO -0.04 0.72 -0.36 -0.97 -1.07 0.00 0.00 179.97 178.25 2key h ASN 78 N 0.55 0.72 -0.20 7.04 -1.24 -0.75 -1.67 115.58 120.02 2key h ASN 78 Ca 0.13 -0.31 -0.14 0.00 0.71 0.00 0.00 56.30 56.68 2key h ASN 78 Cb 0.36 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 2key h ASN 78 CO 0.01 1.01 -0.39 -0.07 -1.29 0.00 0.00 177.43 176.70 2key h LEU 79 N 0.57 0.78 -0.52 0.34 3.38 -0.90 -2.36 115.31 116.60 2key h LEU 79 Ca 0.05 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2key h LEU 79 Cb 0.89 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2key h LEU 79 CO 0.08 1.08 0.00 -1.54 0.09 0.00 0.00 178.44 178.15 2key n SER 80 N -4.04 0.63 -0.07 -0.43 3.41 -0.12 -0.84 113.62 112.17 2key n SER 80 Ca -0.02 0.64 -0.15 0.00 -0.26 0.00 0.00 58.87 59.07 2key n SER 80 Cb 0.53 -0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 63.65 2key n SER 80 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2key h THR 81 N 0.00 1.28 -0.52 6.66 2.02 -0.76 -1.31 112.91 120.27 2key h THR 81 Ca 0.00 -1.75 -0.11 0.00 0.77 0.00 0.00 66.41 65.32 2key h THR 81 Cb 0.42 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 2key h THR 81 CO 0.00 0.56 -0.12 0.40 0.37 0.00 0.00 175.52 176.74 2key h ILE 82 N 0.59 1.27 -0.45 3.11 2.04 -1.23 -2.69 117.51 120.15 2key h ILE 82 Ca 0.00 -1.27 0.13 0.00 1.00 0.00 0.00 64.86 64.72 2key h ILE 82 Cb 1.17 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2key h ILE 82 CO 0.12 0.45 0.33 0.50 0.00 0.00 0.00 178.15 179.54 2key h LYS 83 N 0.87 0.00 0.33 2.37 3.11 -0.81 -1.81 116.57 120.63 2key h LYS 83 Ca 0.13 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.97 2key h LYS 83 Cb 0.68 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.89 2key h LYS 83 CO 0.05 0.00 -0.29 0.82 -2.81 0.00 0.00 179.45 177.22 2key h ILE 84 N 0.00 0.38 -0.08 2.00 1.08 -0.88 0.47 117.51 120.48 2key h ILE 84 Ca 0.21 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.54 2key h ILE 84 Cb 0.86 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 2key h ILE 84 CO -0.00 0.00 -0.59 0.10 -0.69 0.00 0.00 178.15 176.97 2key h TYR 85 N -0.64 0.35 0.10 1.37 -0.00 -1.48 -0.01 116.97 116.66 2key h TYR 85 Ca -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 58.73 58.57 2key h TYR 85 Cb 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 36.73 37.24 2key h TYR 85 CO -0.17 0.80 -0.05 0.28 -0.00 0.00 0.00 178.16 179.02 2key h VAL 86 N 0.21 0.90 -0.56 -0.90 2.07 -1.20 0.40 116.25 117.17 2key h VAL 86 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2key h VAL 86 Cb 1.10 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 2key h VAL 86 CO 0.09 0.00 0.21 0.28 0.02 0.00 0.00 177.57 178.17 2key h SER 87 N -0.14 0.74 -0.55 0.57 0.02 0.19 0.11 113.55 114.50 2key h SER 87 Ca -0.01 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2key h SER 87 Cb 0.11 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2key h SER 87 CO 0.02 0.67 0.25 0.00 -1.14 0.00 0.00 176.83 176.63 2key h ALA 88 N 1.43 0.71 0.00 3.77 0.00 -0.73 0.21 119.26 124.65 2key h ALA 88 Ca 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2key h ALA 88 Cb 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2key h ALA 88 CO -0.02 0.30 -0.10 0.00 0.00 0.00 0.00 179.25 179.43 2key h ALA 89 N 1.09 1.10 0.16 0.00 0.00 0.02 -1.96 119.26 119.67 2key h ALA 89 Ca 0.19 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 2key h ALA 89 Cb 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.95 2key h ALA 89 CO -0.02 0.12 -1.11 0.82 0.00 0.00 0.00 179.25 179.07 2key h ILE 90 N 0.00 1.35 -0.26 0.00 2.04 -0.12 0.49 117.51 121.01 2key h ILE 90 Ca -0.00 -2.54 -0.08 0.00 1.00 0.00 0.00 64.86 63.24 2key h ILE 90 Cb 0.45 3.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.59 2key h ILE 90 CO 0.01 0.74 -0.14 0.50 0.00 0.00 0.00 178.15 179.26 2key h LYS 91 N -0.23 0.56 0.00 2.37 1.63 -0.25 -3.37 116.57 117.28 2key h LYS 91 Ca -0.21 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2key h LYS 91 Cb 1.79 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.41 2key h LYS 91 CO 0.16 0.82 -0.44 0.36 -3.45 0.00 0.00 179.45 176.90 2key n LYS 92 N -4.44 0.05 0.00 1.90 2.85 -0.77 -5.04 118.16 112.70 2key n LYS 92 Ca -0.04 -1.01 0.00 0.00 -1.05 0.00 0.00 58.31 56.21 2key n LYS 92 Cb 0.37 -0.53 0.00 0.00 -0.65 0.00 0.00 35.03 34.21 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 -0.05 0.58 0.00 2.58 0.00 -0.75 -4.96 105.19 102.59 2key n GLY 93 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.31 1.61 9.36 0.16 -4.94 117.16 120.04 2key n TYR 94 Ca 0.00 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.83 2key n TYR 94 Cb 0.00 0.01 -0.06 0.00 -0.63 0.00 0.00 39.34 38.66 2key n TYR 94 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 2key s MET 95 N 0.00 4.16 -0.18 2.98 1.75 -0.33 -5.00 119.30 122.69 2key s MET 95 Ca 0.00 0.68 -0.14 0.00 -1.25 0.00 0.00 55.69 54.98 2key s MET 95 Cb 0.00 -3.25 -0.21 0.00 2.84 0.00 0.00 34.83 34.21 2key s MET 95 CO 0.00 0.62 0.22 -1.91 -0.65 0.00 0.00 175.02 173.30 2key n GLU 96 N 1.84 0.65 -4.12 4.11 2.13 -1.26 -4.07 120.64 119.91 2key n GLU 96 Ca -0.11 0.41 -0.15 0.00 0.66 0.00 0.00 57.16 57.97 2key n GLU 96 Cb 0.51 -1.71 -0.12 0.00 0.27 0.00 0.00 31.44 30.40 2key n GLU 96 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2key s ASN 97 N -6.96 1.16 0.33 4.31 0.01 -1.26 -5.01 114.94 107.52 2key s ASN 97 Ca -0.27 -0.54 -0.13 0.00 -0.71 0.00 0.00 52.86 51.21 2key s ASN 97 Cb 0.07 -0.01 -0.08 0.00 0.41 0.00 0.00 41.25 41.64 2key s ASN 97 CO 0.66 -0.13 0.72 1.51 -1.51 0.00 0.00 177.10 178.35 2key s ASP 98 N -1.52 6.68 0.34 -1.22 -4.77 -1.26 -4.99 116.67 109.94 2key s ASP 98 Ca -0.06 1.19 0.03 0.00 -3.30 0.00 0.00 52.55 50.41 2key s ASP 98 Cb -0.09 -2.34 0.62 0.00 -1.09 0.00 0.00 42.92 40.02 2key s ASP 98 CO 0.01 -0.24 1.95 1.55 0.70 0.00 0.00 175.17 179.14 2key h PRO 99 N 2.01 0.69 0.00 2.11 0.13 -1.92 -2.41 132.00 132.60 2key h PRO 99 Ca -0.48 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2key h PRO 99 Cb 1.18 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2key h PRO 99 CO 0.65 0.55 0.00 1.19 -0.23 0.00 0.00 178.00 180.17 2key n PHE 100 N -4.37 0.45 -0.05 1.56 3.72 -1.26 -0.43 117.46 117.08 2key n PHE 100 Ca 0.04 0.18 -0.16 0.00 -0.05 0.00 0.00 57.45 57.45 2key n PHE 100 Cb 0.13 -0.78 -0.05 0.00 -0.94 0.00 0.00 39.48 37.84 2key n PHE 100 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2key h LYS 101 N 0.00 0.83 0.01 -1.08 3.11 -1.79 0.14 116.57 117.79 2key h LYS 101 Ca 0.00 -0.61 -0.32 0.00 -2.81 0.00 0.00 60.65 56.91 2key h LYS 101 Cb 0.33 0.10 -0.06 0.00 -1.00 0.00 0.00 32.23 31.61 2key h LYS 101 CO 0.00 1.22 -1.95 -0.25 -2.81 0.00 0.00 179.45 175.66 2key n ASP 102 N -3.97 0.67 0.07 4.20 9.92 -1.02 -2.85 116.55 123.57 2key n ASP 102 Ca -0.06 0.26 -0.14 0.00 -0.53 0.00 0.00 54.79 54.33 2key n ASP 102 Cb 0.69 0.24 -0.06 0.00 -0.64 0.00 0.00 41.12 41.35 2key n ASP 102 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2key h PHE 103 N 0.00 0.61 0.00 1.24 3.57 -0.81 -3.38 116.94 118.17 2key h PHE 103 Ca -0.38 -0.34 -0.40 0.00 3.53 0.00 0.00 57.97 60.38 2key h PHE 103 Cb 2.09 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 40.70 2key h PHE 103 CO 0.00 1.17 -2.47 0.41 -2.23 0.00 0.00 178.31 175.20 2key n GLY 104 N 1.02 -0.38 3.19 2.40 0.00 0.50 -4.83 105.19 107.09 2key n GLY 104 Ca -0.07 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2key n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2key s LEU 105 N -6.67 5.75 -0.06 0.99 2.01 -1.13 -5.04 118.68 114.53 2key s LEU 105 Ca -0.35 -2.43 -0.30 0.00 0.01 0.00 0.00 54.13 51.06 2key s LEU 105 Cb 0.10 -1.99 -0.03 0.00 0.01 0.00 0.00 46.19 44.28 2key s LEU 105 CO 0.59 -0.55 1.10 -0.70 1.01 0.00 0.00 176.35 177.80 2key s GLU 106 N 0.58 4.41 0.21 1.70 2.56 -1.26 -4.47 118.70 122.44 2key s GLU 106 Ca 0.12 1.54 -0.09 0.00 0.00 0.00 0.00 54.97 56.55 2key s GLU 106 Cb -0.20 -3.52 0.24 0.00 2.00 0.00 0.00 34.13 32.65 2key s GLU 106 CO -0.04 -0.33 1.83 0.45 -0.56 0.00 0.00 175.26 176.61 2key h HIS 107 N 7.18 0.77 0.00 5.30 3.86 -1.94 -3.45 115.15 126.87 2key h HIS 107 Ca -0.34 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 2key h HIS 107 Cb 1.17 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.39 2key h HIS 107 CO 0.71 0.39 0.00 1.58 0.86 0.00 0.00 177.93 181.47 2key n HIS 108 N -4.73 0.00 -4.00 2.45 -0.00 -1.26 -4.67 115.22 103.01 2key n HIS 108 Ca 0.09 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.93 2key n HIS 108 Cb 0.15 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.87 2key n HIS 108 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2key s HIS 109 N 0.00 2.97 -0.46 1.57 5.65 -1.26 -5.03 115.29 118.73 2key s HIS 109 Ca 0.00 -1.51 0.04 0.00 0.25 0.00 0.00 55.06 53.84 2key s HIS 109 Cb 0.00 -2.02 0.17 0.00 -1.18 0.00 0.00 32.58 29.55 2key s HIS 109 CO 0.00 -0.73 0.37 -2.39 -0.65 0.00 0.00 174.74 171.34 2key n HIS 110 N 4.66 -0.21 0.00 3.88 1.44 -1.26 -5.05 115.22 118.68 2key n HIS 110 Ca -0.18 -3.48 0.00 0.00 -2.01 0.00 0.00 57.72 52.05 2key n HIS 110 Cb 0.48 0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.70 2key n HIS 110 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2key n HIS 111 N 2.66 0.00 0.00 -1.40 -0.00 -1.26 -5.25 115.22 109.97 2key n HIS 111 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.00 2key n HIS 111 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 2key n HIS 111 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95