#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2key h ASN 2 N 0.00 -0.49 -3.19 3.17 4.21 -2.10 -3.40 115.58 113.78 2key h ASN 2 Ca 0.00 0.02 -0.61 0.00 1.21 0.00 0.00 56.30 56.92 2key h ASN 2 Cb 0.00 0.13 -0.40 0.00 -1.12 0.00 0.00 38.32 36.93 2key h ASN 2 CO 0.00 -0.27 -0.76 0.54 -1.29 0.00 0.00 177.43 175.65 2key s ASN 3 N -3.54 3.40 0.46 5.81 2.20 -1.26 -5.12 114.94 116.89 2key s ASN 3 Ca -0.08 -2.83 0.00 0.00 -0.94 0.00 0.00 52.86 49.01 2key s ASN 3 Cb 0.01 -0.97 0.00 0.00 -2.00 0.00 0.00 41.25 38.29 2key s ASN 3 CO 0.25 -0.23 0.00 -0.81 -2.94 0.00 0.00 177.10 173.37 2key n PRO 4 N 3.26 0.51 -0.65 3.55 -0.04 -1.26 -4.87 135.00 135.50 2key n PRO 4 Ca 0.14 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.54 2key n PRO 4 Cb 0.37 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.75 2key n PRO 4 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2key n SER 5 N -1.37 4.23 -1.50 3.54 3.41 -1.26 -4.25 113.62 116.43 2key n SER 5 Ca 0.00 -2.22 0.08 0.00 -0.26 0.00 0.00 58.87 56.46 2key n SER 5 Cb 0.00 -1.05 0.32 0.00 -0.26 0.00 0.00 64.21 63.23 2key n SER 5 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2key n ASP 6 N 2.21 4.43 -3.32 4.04 -0.08 -1.26 -4.88 116.55 117.70 2key n ASP 6 Ca 0.21 -2.49 -0.24 0.00 -1.51 0.00 0.00 54.79 50.76 2key n ASP 6 Cb 0.61 -0.57 0.21 0.00 2.34 0.00 0.00 41.12 43.71 2key n ASP 6 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2key n PHE 7 N 0.86 -3.67 -0.31 -0.67 3.72 -1.26 -4.89 117.46 111.24 2key n PHE 7 Ca 0.23 -0.77 0.10 0.00 -0.05 0.00 0.00 57.45 56.96 2key n PHE 7 Cb 0.86 -0.94 0.32 0.00 -0.94 0.00 0.00 39.48 38.78 2key n PHE 7 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2key h LYS 8 N 0.00 0.79 -2.79 -1.08 2.10 -1.97 -3.45 116.57 110.17 2key h LYS 8 Ca -0.33 -0.05 0.06 0.00 -2.00 0.00 0.00 60.65 58.33 2key h LYS 8 Cb 1.03 -0.18 -0.10 0.00 -0.90 0.00 0.00 32.23 32.09 2key h LYS 8 CO 0.21 0.52 0.30 0.45 -2.00 0.00 0.00 179.45 178.93 2key s SER 9 N -5.71 -0.37 0.48 7.07 0.15 -1.26 -4.92 113.70 109.13 2key s SER 9 Ca -0.11 -0.27 0.18 0.00 0.70 0.00 0.00 55.95 56.45 2key s SER 9 Cb 0.22 0.59 1.16 0.00 -1.71 0.00 0.00 66.02 66.29 2key s SER 9 CO 0.80 -1.04 2.03 -0.26 1.20 0.00 0.00 173.24 175.97 2key h PHE 10 N 2.00 0.00 -0.62 3.44 0.04 -1.87 -2.26 116.94 117.67 2key h PHE 10 Ca -0.26 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.45 2key h PHE 10 Cb 1.27 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.39 2key h PHE 10 CO 0.32 0.15 0.12 0.45 -0.60 0.00 0.00 178.31 178.75 2key h HIS 11 N 0.00 1.04 -0.17 -0.55 3.86 -1.96 -0.51 115.15 116.86 2key h HIS 11 Ca -0.00 -0.13 -0.15 0.00 -1.16 0.00 0.00 60.37 58.94 2key h HIS 11 Cb 0.29 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2key h HIS 11 CO 0.00 0.87 -0.52 0.22 0.86 0.00 0.00 177.93 179.37 2key h ASP 12 N 0.94 0.52 -0.66 2.45 3.58 -1.79 -2.25 116.42 119.20 2key h ASP 12 Ca 0.19 -0.27 -0.06 0.00 0.42 0.00 0.00 57.03 57.31 2key h ASP 12 Cb 0.38 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 2key h ASP 12 CO 0.01 0.95 0.17 0.15 -2.88 0.00 0.00 179.24 177.63 2key h PHE 13 N 0.37 1.12 -0.39 0.28 3.57 -1.22 -1.87 116.94 118.79 2key h PHE 13 Ca 0.01 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.45 2key h PHE 13 Cb 1.03 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 2key h PHE 13 CO 0.04 0.91 0.09 0.28 -2.23 0.00 0.00 178.31 177.40 2key h VAL 14 N 1.02 0.81 -0.60 1.41 2.07 -0.64 -0.18 116.25 120.14 2key h VAL 14 Ca 0.22 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.67 2key h VAL 14 Cb 0.35 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2key h VAL 14 CO -0.00 0.04 0.39 0.00 0.02 0.00 0.00 177.57 178.02 2key h ALA 15 N 1.29 0.77 -0.82 1.67 0.00 -1.10 0.41 119.26 121.49 2key h ALA 15 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2key h ALA 15 Cb 0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2key h ALA 15 CO -0.24 0.17 0.43 1.03 0.00 0.00 0.00 179.25 180.65 2key h SER 16 N 0.80 1.03 0.44 0.00 0.87 -0.76 -1.47 113.55 114.46 2key h SER 16 Ca 0.23 -0.11 -0.21 0.00 -1.23 0.00 0.00 61.79 60.47 2key h SER 16 Cb -0.06 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.63 2key h SER 16 CO -0.06 0.85 -0.89 0.22 -0.53 0.00 0.00 176.83 176.41 2key h TYR 17 N 1.14 0.46 -0.39 2.24 3.20 -0.63 -3.21 116.97 119.79 2key h TYR 17 Ca 0.29 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 2key h TYR 17 Cb 0.06 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 2key h TYR 17 CO 0.01 1.06 0.09 1.98 -1.64 0.00 0.00 178.16 179.65 2key h MET 18 N 0.18 0.62 0.00 1.82 4.05 0.32 -0.49 114.93 121.43 2key h MET 18 Ca -0.06 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.19 2key h MET 18 Cb 1.52 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 32.23 2key h MET 18 CO 0.15 0.66 -0.08 1.57 0.23 0.00 0.00 176.91 179.44 2key h LYS 19 N 0.48 0.00 0.04 0.39 2.10 -1.38 -0.95 116.57 117.26 2key h LYS 19 Ca 0.12 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.77 2key h LYS 19 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 2key h LYS 19 CO 0.00 0.08 -0.02 1.15 -2.00 0.00 0.00 179.45 178.66 2key h THR 20 N 0.00 1.26 -0.00 0.07 2.02 -1.25 -3.27 112.91 111.74 2key h THR 20 Ca -0.00 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.49 2key h THR 20 Cb 0.35 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2key h THR 20 CO 0.01 0.38 0.00 0.00 0.37 0.00 0.00 175.52 176.28 2key n TYR 21 N -4.75 0.00 0.24 3.16 4.11 -0.31 -3.25 117.16 116.37 2key n TYR 21 Ca -0.08 -0.00 0.17 0.00 -0.00 0.00 0.00 57.90 57.99 2key n TYR 21 Cb 0.33 0.00 0.86 0.00 -0.00 0.00 0.00 39.34 40.53 2key n TYR 21 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2key h SER 22 N 0.11 0.00 0.76 9.48 0.87 -1.22 0.22 113.55 123.77 2key h SER 22 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2key h SER 22 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2key h SER 22 CO 0.00 0.00 0.00 0.03 -0.53 0.00 0.00 176.83 176.33 2key h ARG 23 N 0.00 0.00 -0.39 2.24 3.08 -1.77 -1.71 114.38 115.83 2key h ARG 23 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2key h ARG 23 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2key h ARG 23 CO -0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 2key n ARG 24 N -3.05 3.01 -4.72 0.04 1.74 0.74 -4.97 116.66 109.44 2key n ARG 24 Ca -0.00 -2.41 -0.24 0.00 -0.77 0.00 0.00 57.85 54.43 2key n ARG 24 Cb 0.24 -1.52 -0.15 0.00 -1.02 0.00 0.00 32.46 30.01 2key n ARG 24 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2key s LEU 25 N -1.59 2.07 0.65 0.55 2.96 -0.64 -5.12 118.68 117.55 2key s LEU 25 Ca 0.34 -0.35 -0.18 0.00 -0.22 0.00 0.00 54.13 53.72 2key s LEU 25 Cb 0.21 -0.85 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 2key s LEU 25 CO 0.16 0.18 1.25 -0.70 -1.32 0.00 0.00 176.35 175.92 2key s GLU 26 N -0.60 2.58 0.14 1.98 -6.30 -1.26 -4.88 118.70 110.36 2key s GLU 26 Ca 0.06 1.92 -0.13 0.00 -2.50 0.00 0.00 54.97 54.32 2key s GLU 26 Cb -0.07 -1.87 -0.01 0.00 0.00 0.00 0.00 34.13 32.18 2key s GLU 26 CO -0.00 -1.53 1.55 0.82 0.02 0.00 0.00 175.26 176.11 2key h ILE 27 N 0.45 1.27 -0.81 -3.70 2.04 -1.99 -1.42 117.51 113.35 2key h ILE 27 Ca -0.50 -1.20 0.03 0.00 1.00 0.00 0.00 64.86 64.20 2key h ILE 27 Cb 1.32 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.50 2key h ILE 27 CO 0.53 0.41 0.52 1.23 0.00 0.00 0.00 178.15 180.84 2key h GLY 28 N 0.66 1.18 1.19 5.37 0.00 -1.98 0.37 103.07 109.86 2key h GLY 28 Ca 0.11 -0.39 -0.29 0.00 0.00 0.00 0.00 47.33 46.75 2key h GLY 28 CO 0.04 0.34 -1.23 0.00 0.00 0.00 0.00 176.54 175.68 2key h THR 29 N 1.01 1.30 0.00 4.70 1.03 -1.94 -2.11 112.91 116.90 2key h THR 29 Ca 0.32 -2.47 0.02 0.00 -0.01 0.00 0.00 66.41 64.28 2key h THR 29 Cb 0.01 2.75 -0.03 0.00 -1.07 0.00 0.00 68.15 69.81 2key h THR 29 CO -0.11 0.75 -0.16 0.15 -0.01 0.00 0.00 175.52 176.13 2key h PHE 30 N 0.22 -0.42 -0.75 0.00 3.57 -0.99 -1.89 116.94 116.68 2key h PHE 30 Ca -0.19 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.45 2key h PHE 30 Cb 1.92 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 40.79 2key h PHE 30 CO 0.12 -0.24 0.50 -0.09 -2.23 0.00 0.00 178.31 176.37 2key h ARG 31 N -0.27 0.50 0.00 1.11 2.43 -0.32 -1.84 114.38 115.99 2key h ARG 31 Ca 0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2key h ARG 31 Cb 0.34 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2key h ARG 31 CO -0.15 0.33 0.00 1.25 -1.51 0.00 0.00 179.97 179.89 2key h HIS 32 N 0.51 0.00 0.00 2.20 2.76 -0.62 -3.20 115.15 116.80 2key h HIS 32 Ca 0.36 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.38 2key h HIS 32 Cb 0.69 0.00 -0.29 0.00 1.55 0.00 0.00 27.41 29.36 2key h HIS 32 CO -0.00 0.00 -0.80 -2.39 -1.30 0.00 0.00 177.93 173.44 2key n HIS 33 N -2.61 0.00 -0.02 5.26 1.44 -0.86 -4.88 115.22 113.54 2key n HIS 33 Ca 0.01 -0.44 -0.13 0.00 -2.01 0.00 0.00 57.72 55.15 2key n HIS 33 Cb 0.22 0.01 -0.14 0.00 0.12 0.00 0.00 29.99 30.20 2key n HIS 33 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 2key n LYS 34 N 0.33 0.68 0.19 -1.40 2.85 -0.75 -4.24 118.16 115.83 2key n LYS 34 Ca -0.02 0.27 0.10 0.00 -1.05 0.00 0.00 58.31 57.61 2key n LYS 34 Cb 1.00 -1.75 0.13 0.00 -0.65 0.00 0.00 35.03 33.75 2key n LYS 34 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 2key h SER 35 N 0.03 0.00 0.12 -5.58 0.02 -1.87 -3.39 113.55 102.88 2key h SER 35 Ca -0.35 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.61 2key h SER 35 Cb 2.03 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.53 2key h SER 35 CO 0.08 0.12 -0.44 0.00 -1.14 0.00 0.00 176.83 175.44 2key h MET 37 N -0.65 0.80 -0.08 0.00 2.86 -1.84 -2.32 114.93 113.70 2key h MET 37 Ca -0.01 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2key h MET 37 Cb 0.64 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 2key h MET 37 CO -0.23 0.63 -0.08 -0.09 1.06 0.00 0.00 176.91 178.19 2key h ARG 38 N 0.80 0.20 -0.02 1.72 9.65 -1.67 -3.02 114.38 122.04 2key h ARG 38 Ca 0.20 -0.11 -0.08 0.00 -1.10 0.00 0.00 59.98 58.89 2key h ARG 38 Cb 0.09 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 2key h ARG 38 CO -0.03 0.63 -0.38 -0.22 2.80 0.00 0.00 179.97 182.78 2key h LYS 39 N -0.22 0.04 -0.10 0.20 3.11 -1.06 -1.99 116.57 116.55 2key h LYS 39 Ca 0.01 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 2key h LYS 39 Cb 0.60 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 2key h LYS 39 CO 0.02 0.41 -0.12 0.35 -2.81 0.00 0.00 179.45 177.30 2key h PHE 40 N 0.03 0.15 -5.54 1.91 3.57 -1.35 -3.48 116.94 112.23 2key h PHE 40 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2key h PHE 40 Cb 0.69 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 2key h PHE 40 CO 0.00 0.27 -1.00 1.63 -2.23 0.00 0.00 178.31 176.98 2key n LYS 41 N -4.32 -2.50 -2.34 1.11 5.02 -0.75 -4.83 118.16 109.55 2key n LYS 41 Ca -0.01 2.17 -0.43 0.00 -2.02 0.00 0.00 58.31 58.01 2key n LYS 41 Cb 0.24 -3.97 -0.02 0.00 -0.02 0.00 0.00 35.03 31.26 2key n LYS 41 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2key s GLU 42 N -1.41 3.64 -0.09 1.97 1.03 -1.26 -4.79 118.70 117.79 2key s GLU 42 Ca -0.00 1.05 0.15 0.00 0.03 0.00 0.00 54.97 56.19 2key s GLU 42 Cb 0.00 -4.00 0.50 0.00 -0.80 0.00 0.00 34.13 29.83 2key s GLU 42 CO 0.53 -1.48 1.42 0.66 -1.33 0.00 0.00 175.26 175.07 2key n TYR 43 N 8.61 0.92 -1.72 4.83 4.01 -1.26 -4.81 117.16 127.74 2key n TYR 43 Ca 0.16 -0.65 -0.42 0.00 -0.16 0.00 0.00 57.90 56.83 2key n TYR 43 Cb 0.48 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.30 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 6.30 0.45 0.00 0.00 2.12 -1.26 -4.69 118.70 121.61 2key s GLU 45 Ca 0.94 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 56.14 2key s GLU 45 Cb -0.29 -0.47 0.00 0.00 0.26 0.00 0.00 34.13 33.64 2key s GLU 45 CO 0.34 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.51 2key n GLY 46 N 3.29 1.12 3.57 -1.50 0.00 -1.26 -5.06 105.19 105.35 2key n GLY 46 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 4.06 0.00 0.99 0.20 -1.26 -5.04 118.68 117.63 2key s LEU 47 Ca 0.00 0.22 -0.05 0.00 0.69 0.00 0.00 54.13 54.99 2key s LEU 47 Cb 0.00 -3.15 0.08 0.00 -0.43 0.00 0.00 46.19 42.69 2key s LEU 47 CO 0.00 -0.94 0.49 0.00 -0.29 0.00 0.00 176.35 175.61 2key n GLN 48 N 6.90 -0.29 -0.03 1.98 3.00 -1.26 -4.98 117.38 122.70 2key n GLN 48 Ca 0.05 -0.88 -0.15 0.00 -0.01 0.00 0.00 57.00 56.01 2key n GLN 48 Cb 0.48 -0.46 -0.12 0.00 0.00 0.00 0.00 30.24 30.14 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 -1.08 0.24 -0.02 1.08 0.04 -1.97 -3.17 116.94 112.05 2key h PHE 49 Ca -0.16 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.47 2key h PHE 49 Cb 0.47 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.60 2key h PHE 49 CO 0.00 0.98 0.00 1.58 -0.60 0.00 0.00 178.31 180.27 2key n HIS 50 N -4.49 0.02 0.63 -0.55 -0.00 -1.26 -2.34 115.22 107.23 2key n HIS 50 Ca -0.10 -0.01 0.12 0.00 0.46 0.00 0.00 57.72 58.19 2key n HIS 50 Cb 0.53 0.00 0.26 0.00 -0.12 0.00 0.00 29.99 30.66 2key n HIS 50 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2key n GLU 51 N -0.68 0.25 -2.85 1.57 -0.58 -1.20 -4.42 120.64 112.74 2key n GLU 51 Ca 0.17 0.11 -0.44 0.00 -0.42 0.00 0.00 57.16 56.59 2key n GLU 51 Cb 0.12 -1.70 -0.01 0.00 -0.57 0.00 0.00 31.44 29.28 2key n GLU 51 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2key s LEU 52 N -4.19 4.71 0.50 -4.62 1.98 -0.99 -4.63 118.68 111.45 2key s LEU 52 Ca 0.08 -2.62 0.01 0.00 -2.89 0.00 0.00 54.13 48.72 2key s LEU 52 Cb 0.14 -2.45 -0.01 0.00 0.66 0.00 0.00 46.19 44.53 2key s LEU 52 CO 0.68 -0.94 0.02 0.42 -1.89 0.00 0.00 176.35 174.64 2key s THR 53 N 2.52 1.00 0.36 3.68 -4.23 -1.26 -4.37 115.64 113.35 2key s THR 53 Ca 0.43 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.01 2key s THR 53 Cb -0.02 -2.12 0.30 0.00 1.34 0.00 0.00 72.50 72.00 2key s THR 53 CO -0.01 0.00 1.94 -0.33 -0.54 0.00 0.00 174.62 175.68 2key h GLU 54 N 1.38 0.72 -0.52 3.99 3.07 -1.75 -1.46 114.58 120.01 2key h GLU 54 Ca -0.43 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.28 2key h GLU 54 Cb 1.32 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 29.05 2key h GLU 54 CO 0.71 0.48 -0.12 0.22 -1.40 0.00 0.00 179.01 178.90 2key h ASP 55 N 0.74 1.00 -0.28 1.42 3.58 -1.94 -1.50 116.42 119.43 2key h ASP 55 Ca 0.34 -0.36 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 2key h ASP 55 Cb 0.35 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2key h ASP 55 CO -0.12 1.12 0.11 0.15 -2.88 0.00 0.00 179.24 177.62 2key h PHE 56 N 0.86 0.44 -0.68 0.28 3.57 -1.59 0.50 116.94 120.31 2key h PHE 56 Ca 0.13 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2key h PHE 56 Cb 0.68 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 2key h PHE 56 CO 0.05 0.44 0.40 -0.07 -2.23 0.00 0.00 178.31 176.89 2key h LEU 57 N 0.31 0.61 0.04 0.59 -0.00 -1.17 0.26 115.31 115.94 2key h LEU 57 Ca 0.09 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2key h LEU 57 Cb 0.19 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 2key h LEU 57 CO -0.01 0.40 -0.02 -0.09 -0.00 0.00 0.00 178.44 178.72 2key h ARG 58 N 0.74 -0.05 -0.55 1.13 2.43 -0.97 0.12 114.38 117.24 2key h ARG 58 Ca 0.30 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 2key h ARG 58 Cb 0.15 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2key h ARG 58 CO -0.16 0.21 0.23 0.22 -1.51 0.00 0.00 179.97 178.96 2key h ASP 59 N -0.30 0.76 0.07 -3.80 3.58 -0.65 -1.59 116.42 114.48 2key h ASP 59 Ca -0.00 -0.16 -0.12 0.00 0.42 0.00 0.00 57.03 57.17 2key h ASP 59 Cb 0.28 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2key h ASP 59 CO 0.01 0.71 -0.38 0.22 -2.88 0.00 0.00 179.24 176.91 2key h TYR 60 N 0.75 0.49 0.09 0.28 3.20 -0.47 -0.39 116.97 120.92 2key h TYR 60 Ca 0.19 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2key h TYR 60 Cb 0.18 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 2key h TYR 60 CO 0.01 0.74 -0.06 1.25 -1.64 0.00 0.00 178.16 178.46 2key h LEU 61 N 0.35 -0.15 -0.39 2.82 5.85 -0.64 0.56 115.31 123.72 2key h LEU 61 Ca 0.03 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2key h LEU 61 Cb 0.83 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 2key h LEU 61 CO 0.07 -0.10 0.22 0.40 -0.34 0.00 0.00 178.44 178.69 2key h ILE 62 N -0.15 1.03 -0.88 4.05 2.04 -1.00 -0.98 117.51 121.62 2key h ILE 62 Ca -0.01 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2key h ILE 62 Cb 0.13 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2key h ILE 62 CO 0.00 0.08 0.47 0.22 0.00 0.00 0.00 178.15 178.93 2key h TYR 63 N 0.45 1.21 -0.35 1.37 3.20 -0.90 0.43 116.97 122.38 2key h TYR 63 Ca 0.15 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2key h TYR 63 Cb 0.02 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 37.89 2key h TYR 63 CO -0.08 0.84 0.15 1.98 -1.64 0.00 0.00 178.16 179.42 2key h MET 64 N 1.23 0.52 0.01 1.82 4.05 -0.48 0.16 114.93 122.24 2key h MET 64 Ca 0.31 -0.09 -0.20 0.00 -0.28 0.00 0.00 59.70 59.44 2key h MET 64 Cb 0.04 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 2key h MET 64 CO -0.05 0.49 -0.92 -0.22 0.23 0.00 0.00 176.91 176.45 2key h LYS 65 N 0.42 0.18 0.00 0.39 3.11 -0.82 -2.76 116.57 117.10 2key h LYS 65 Ca 0.12 -0.21 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 2key h LYS 65 Cb 0.16 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 2key h LYS 65 CO -0.01 0.97 -0.02 -0.22 -2.81 0.00 0.00 179.45 177.36 2key h LYS 66 N 0.09 0.00 0.08 1.90 1.63 -0.06 -3.27 116.57 116.95 2key h LYS 66 Ca -0.05 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.65 2key h LYS 66 Cb 1.57 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.21 2key h LYS 66 CO 0.14 0.00 -0.47 1.15 -3.45 0.00 0.00 179.45 176.82 2key h THR 67 N -0.56 1.63 0.00 1.00 2.02 -1.14 -3.29 112.91 112.58 2key h THR 67 Ca 0.00 -2.45 0.00 0.00 0.77 0.00 0.00 66.41 64.73 2key h THR 67 Cb 0.02 3.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2key h THR 67 CO 0.00 0.67 0.00 0.18 0.37 0.00 0.00 175.52 176.74 2key n LEU 68 N -4.33 0.64 -0.95 2.58 4.77 -1.09 -4.88 117.00 113.74 2key n LEU 68 Ca -0.12 0.61 -0.12 0.00 -0.03 0.00 0.00 56.01 56.35 2key n LEU 68 Cb 0.68 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 2key n LEU 68 CO 0.43 -0.35 -0.12 0.00 -1.33 0.00 0.00 177.39 176.02 2key s ASN 70 N -2.85 7.00 0.80 0.00 -0.87 -1.06 -5.00 114.94 112.97 2key s ASN 70 Ca 0.00 1.66 -0.11 0.00 -1.57 0.00 0.00 52.86 52.84 2key s ASN 70 Cb 0.00 -2.52 0.07 0.00 -0.02 0.00 0.00 41.25 38.78 2key s ASN 70 CO 0.00 -0.27 1.09 0.00 -2.57 0.00 0.00 177.10 175.36 2key s ALA 71 N -2.02 2.09 0.14 0.60 0.00 -1.26 -4.15 121.76 117.17 2key s ALA 71 Ca 0.58 0.20 -0.22 0.00 0.00 0.00 0.00 51.96 52.52 2key s ALA 71 Cb -0.11 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.76 2key s ALA 71 CO 0.16 -1.91 1.64 -0.44 0.00 0.00 0.00 175.76 175.21 2key h ASP 72 N -1.23 -0.65 -0.25 0.00 5.19 -1.96 0.29 116.42 117.80 2key h ASP 72 Ca -0.45 0.12 -0.05 0.00 -0.62 0.00 0.00 57.03 56.03 2key h ASP 72 Cb 1.24 0.31 -0.02 0.00 0.18 0.00 0.00 39.33 41.04 2key h ASP 72 CO 0.52 -0.25 0.00 0.28 -3.12 0.00 0.00 179.24 176.67 2key h SER 73 N -0.23 0.53 -0.47 6.45 0.02 -1.99 -1.07 113.55 116.80 2key h SER 73 Ca 0.12 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 2key h SER 73 Cb 0.41 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2key h SER 73 CO -0.33 0.60 -0.19 0.74 -1.14 0.00 0.00 176.83 176.51 2key h THR 74 N 0.54 1.27 -0.20 -2.27 2.02 -1.60 -2.01 112.91 110.66 2key h THR 74 Ca 0.11 -1.34 -0.08 0.00 0.77 0.00 0.00 66.41 65.87 2key h THR 74 Cb 0.35 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2key h THR 74 CO 0.01 0.47 -0.24 0.00 0.37 0.00 0.00 175.52 176.12 2key h ALA 75 N 0.93 1.22 -0.65 6.16 0.00 0.03 -1.62 119.26 125.32 2key h ALA 75 Ca 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2key h ALA 75 Cb 0.75 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2key h ALA 75 CO 0.06 0.51 0.31 1.96 0.00 0.00 0.00 179.25 182.09 2key h GLN 76 N 0.33 0.92 -0.34 0.00 1.08 -0.87 0.14 115.11 116.38 2key h GLN 76 Ca 0.05 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 2key h GLN 76 Cb 0.61 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2key h GLN 76 CO 0.04 0.72 0.09 0.00 -0.95 0.00 0.00 178.83 178.73 2key h ARG 77 N 0.92 0.53 -0.62 1.46 2.47 -0.60 -0.52 114.38 118.02 2key h ARG 77 Ca 0.23 -0.12 -0.05 0.00 -1.26 0.00 0.00 59.98 58.78 2key h ARG 77 Cb 0.10 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 2key h ARG 77 CO -0.03 0.58 0.19 -0.91 0.56 0.00 0.00 179.97 180.36 2key h ASN 78 N 0.39 0.87 0.12 7.04 4.21 -0.84 -2.26 115.58 125.12 2key h ASN 78 Ca 0.11 -0.15 -0.16 0.00 1.21 0.00 0.00 56.30 57.31 2key h ASN 78 Cb 0.28 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 2key h ASN 78 CO -0.00 0.82 -0.59 -0.07 -1.29 0.00 0.00 177.43 176.30 2key h LEU 79 N 0.91 0.54 -1.81 1.61 3.38 -0.86 -3.12 115.31 115.96 2key h LEU 79 Ca 0.20 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2key h LEU 79 Cb 0.26 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2key h LEU 79 CO -0.01 1.01 -0.14 -1.28 0.09 0.00 0.00 178.44 178.11 2key h SER 80 N 0.36 0.00 -0.01 -0.43 0.87 -0.52 -2.06 113.55 111.76 2key h SER 80 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2key h SER 80 Cb 1.13 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2key h SER 80 CO 0.11 0.14 0.01 0.71 -0.53 0.00 0.00 176.83 177.27 2key h THR 81 N 0.00 1.13 -0.70 2.23 1.35 -1.40 -1.63 112.91 113.89 2key h THR 81 Ca -0.00 -0.40 -0.05 0.00 -0.55 0.00 0.00 66.41 65.42 2key h THR 81 Cb 0.37 1.38 -0.03 0.00 -1.73 0.00 0.00 68.15 68.14 2key h THR 81 CO 0.02 0.10 0.26 0.40 -0.25 0.00 0.00 175.52 176.05 2key h ILE 82 N -0.14 1.25 -0.35 6.82 2.04 -1.62 -2.53 117.51 122.97 2key h ILE 82 Ca 0.00 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.11 2key h ILE 82 Cb 0.17 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2key h ILE 82 CO -0.00 0.32 0.24 0.50 0.00 0.00 0.00 178.15 179.22 2key h LYS 83 N 1.02 0.21 0.18 2.37 3.11 -1.14 -1.04 116.57 121.28 2key h LYS 83 Ca 0.23 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 2key h LYS 83 Cb 0.25 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 2key h LYS 83 CO -0.01 0.14 -0.09 0.82 -2.81 0.00 0.00 179.45 177.50 2key h ILE 84 N 0.22 0.83 -0.05 2.00 1.08 -0.84 0.32 117.51 121.06 2key h ILE 84 Ca 0.16 -0.04 -0.19 0.00 -0.39 0.00 0.00 64.86 64.40 2key h ILE 84 Cb 0.35 0.85 -0.00 0.00 -3.07 0.00 0.00 36.82 34.95 2key h ILE 84 CO -0.03 0.01 -0.78 0.10 -0.69 0.00 0.00 178.15 176.76 2key h TYR 85 N -0.26 0.51 -0.33 1.37 -0.00 -1.50 -2.61 116.97 114.15 2key h TYR 85 Ca -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 58.73 58.44 2key h TYR 85 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 36.73 36.85 2key h TYR 85 CO -0.06 1.01 0.10 0.28 -0.00 0.00 0.00 178.16 179.49 2key h VAL 86 N 0.24 1.21 -0.67 -0.90 2.07 -1.09 0.40 116.25 117.51 2key h VAL 86 Ca -0.04 -0.69 0.10 0.00 0.82 0.00 0.00 66.70 66.89 2key h VAL 86 Cb 1.37 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 2key h VAL 86 CO 0.13 0.24 0.44 0.28 0.02 0.00 0.00 177.57 178.68 2key h SER 87 N 0.38 0.46 -0.01 0.57 0.02 -0.29 0.78 113.55 115.46 2key h SER 87 Ca 0.11 0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 60.84 2key h SER 87 Cb 0.26 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.73 2key h SER 87 CO -0.00 0.27 -0.86 0.00 -1.14 0.00 0.00 176.83 175.10 2key h ALA 88 N 1.66 0.30 0.00 3.77 0.00 -1.03 -2.65 119.26 121.31 2key h ALA 88 Ca 0.31 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2key h ALA 88 Cb 0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2key h ALA 88 CO -0.10 0.71 -0.20 0.00 0.00 0.00 0.00 179.25 179.66 2key h ALA 89 N 0.58 1.13 0.00 0.00 0.00 0.62 -1.53 119.26 120.07 2key h ALA 89 Ca -0.07 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.43 2key h ALA 89 Cb 1.49 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 2key h ALA 89 CO 0.17 0.25 -1.09 0.82 0.00 0.00 0.00 179.25 179.41 2key h ILE 90 N 0.00 1.62 -0.15 0.00 2.04 -0.91 0.22 117.51 120.32 2key h ILE 90 Ca -0.00 -3.34 -0.12 0.00 1.00 0.00 0.00 64.86 62.40 2key h ILE 90 Cb 0.59 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 2key h ILE 90 CO 0.03 0.92 -0.37 0.50 0.00 0.00 0.00 178.15 179.23 2key h LYS 91 N 0.00 0.51 -0.12 2.37 3.11 -0.97 -3.42 116.57 118.05 2key h LYS 91 Ca -0.04 -0.35 -0.14 0.00 -2.81 0.00 0.00 60.65 57.30 2key h LYS 91 Cb 1.80 0.05 -0.14 0.00 -1.00 0.00 0.00 32.23 32.94 2key h LYS 91 CO 0.12 0.96 -0.31 1.17 -2.81 0.00 0.00 179.45 178.59 2key n LYS 92 N -4.32 0.48 0.00 1.90 3.00 -0.66 -5.07 118.16 113.49 2key n LYS 92 Ca -0.07 -1.33 0.00 0.00 -0.00 0.00 0.00 58.31 56.91 2key n LYS 92 Cb 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 35.03 34.63 2key n LYS 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2key n GLY 93 N 1.82 -0.12 0.00 3.14 0.00 -0.30 -4.81 105.19 104.91 2key n GLY 93 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.38 0.00 -2.00 1.61 9.36 -0.09 -5.03 117.16 119.62 2key n TYR 94 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 2key n TYR 94 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 2key n TYR 94 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 2key s MET 95 N -0.98 4.19 -0.04 2.98 -1.94 -1.01 -4.90 119.30 117.61 2key s MET 95 Ca 0.00 2.21 -0.16 0.00 -1.71 0.00 0.00 55.69 56.03 2key s MET 95 Cb 0.00 -3.87 -0.31 0.00 2.01 0.00 0.00 34.83 32.66 2key s MET 95 CO 0.00 -0.80 0.77 1.49 -0.01 0.00 0.00 175.02 176.47 2key h GLU 96 N 9.14 0.38 -6.03 2.03 4.81 -1.89 -3.35 114.58 119.67 2key h GLU 96 Ca -0.40 -0.65 -0.59 0.00 -0.13 0.00 0.00 59.36 57.59 2key h GLU 96 Cb 1.18 0.24 -0.11 0.00 0.63 0.00 0.00 28.75 30.70 2key h GLU 96 CO 0.94 1.31 -0.63 1.21 -0.73 0.00 0.00 179.01 181.12 2key s ASN 97 N -7.25 4.14 0.03 1.04 3.84 -1.26 -5.03 114.94 110.45 2key s ASN 97 Ca -0.15 -0.99 -0.09 0.00 0.21 0.00 0.00 52.86 51.84 2key s ASN 97 Cb 0.04 -0.53 -0.05 0.00 -0.55 0.00 0.00 41.25 40.16 2key s ASN 97 CO 0.85 -0.21 0.35 -1.81 -2.79 0.00 0.00 177.10 173.49 2key s ASP 98 N -3.70 6.61 0.00 -4.21 1.11 -1.26 -4.97 116.67 110.25 2key s ASP 98 Ca 0.34 0.73 0.31 0.00 0.18 0.00 0.00 52.55 54.11 2key s ASP 98 Cb -0.00 -2.15 1.63 0.00 1.07 0.00 0.00 42.92 43.46 2key s ASP 98 CO 0.19 0.24 2.08 -2.65 1.18 0.00 0.00 175.17 176.21 2key n PRO 99 N 1.18 0.93 -0.65 8.23 -0.02 -1.26 -3.30 135.00 140.10 2key n PRO 99 Ca -0.11 -0.15 0.05 0.00 -2.02 0.00 0.00 63.50 61.28 2key n PRO 99 Cb 0.53 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.62 2key n PRO 99 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2key n PHE 100 N -0.90 0.00 0.12 6.00 -1.74 -1.26 -2.24 117.46 117.43 2key n PHE 100 Ca 0.20 -0.86 -0.21 0.00 -0.56 0.00 0.00 57.45 56.02 2key n PHE 100 Cb 0.19 -0.16 -0.15 0.00 1.52 0.00 0.00 39.48 40.87 2key n PHE 100 CO 0.00 0.00 0.00 -0.22 -0.56 0.00 0.00 176.76 175.98 2key h LYS 101 N 0.56 0.42 -0.52 3.97 3.11 -1.92 -3.28 116.57 118.90 2key h LYS 101 Ca -0.05 -0.72 0.00 0.00 -2.81 0.00 0.00 60.65 57.07 2key h LYS 101 Cb 1.28 0.27 0.00 0.00 -1.00 0.00 0.00 32.23 32.78 2key h LYS 101 CO 0.02 1.33 0.00 -0.25 -2.81 0.00 0.00 179.45 177.74 2key n ASP 102 N -3.62 3.41 0.34 4.20 8.00 -1.26 -4.52 116.55 123.10 2key n ASP 102 Ca -0.16 -1.98 -0.13 0.00 0.71 0.00 0.00 54.79 53.23 2key n ASP 102 Cb 1.07 -0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 41.77 2key n ASP 102 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2key h PHE 103 N 3.24 -0.80 0.00 1.24 3.04 -1.83 -3.42 116.94 118.41 2key h PHE 103 Ca 0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2key h PHE 103 Cb 0.86 0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.64 2key h PHE 103 CO 0.34 -0.50 -0.14 0.41 -2.02 0.00 0.00 178.31 176.40 2key n GLY 104 N -1.13 0.21 2.76 2.40 0.00 -1.26 -5.04 105.19 103.12 2key n GLY 104 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2key n GLY 104 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2key s LEU 105 N 0.00 2.79 -1.14 0.99 0.20 -1.26 -5.01 118.68 115.26 2key s LEU 105 Ca 0.00 -2.18 -0.03 0.00 0.69 0.00 0.00 54.13 52.61 2key s LEU 105 Cb 0.00 -1.05 0.22 0.00 -0.43 0.00 0.00 46.19 44.93 2key s LEU 105 CO 0.00 -0.34 2.12 -0.62 -0.29 0.00 0.00 176.35 177.22 2key n GLU 106 N 4.14 4.88 -0.71 1.98 1.02 -1.26 -4.19 120.64 126.50 2key n GLU 106 Ca 0.04 -4.01 0.04 0.00 -0.02 0.00 0.00 57.16 53.21 2key n GLU 106 Cb 0.38 -2.52 0.07 0.00 -0.02 0.00 0.00 31.44 29.35 2key n GLU 106 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2key n HIS 107 N 0.75 0.00 -3.48 -0.32 -0.00 -1.26 -5.02 115.22 105.89 2key n HIS 107 Ca 0.54 -0.60 -0.43 0.00 0.46 0.00 0.00 57.72 57.69 2key n HIS 107 Cb 0.26 -0.13 -0.08 0.00 -0.12 0.00 0.00 29.99 29.92 2key n HIS 107 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2key s HIS 108 N -1.15 3.29 0.05 1.57 3.76 -1.26 -5.06 115.29 116.49 2key s HIS 108 Ca 0.23 -1.24 0.04 0.00 -0.15 0.00 0.00 55.06 53.93 2key s HIS 108 Cb 0.23 -3.13 -0.04 0.00 1.11 0.00 0.00 32.58 30.75 2key s HIS 108 CO -0.05 -0.84 -0.02 -1.01 -0.85 0.00 0.00 174.74 171.97 2key s HIS 109 N 1.54 2.98 0.15 1.40 3.76 -1.26 -5.13 115.29 118.73 2key s HIS 109 Ca 0.04 -0.00 0.05 0.00 -0.15 0.00 0.00 55.06 54.99 2key s HIS 109 Cb -0.24 -1.58 -0.04 0.00 1.11 0.00 0.00 32.58 31.82 2key s HIS 109 CO 0.04 0.45 -0.11 -1.01 -0.85 0.00 0.00 174.74 173.27 2key s HIS 110 N -1.18 1.28 -2.62 1.40 3.76 -1.26 -5.02 115.29 111.66 2key s HIS 110 Ca 0.22 -0.73 0.24 0.00 -0.15 0.00 0.00 55.06 54.64 2key s HIS 110 Cb -0.11 -0.65 0.58 0.00 1.11 0.00 0.00 32.58 33.51 2key s HIS 110 CO 0.14 0.09 1.48 0.72 -0.85 0.00 0.00 174.74 176.32 2key n HIS 111 N -0.13 0.15 -1.18 1.40 8.25 -1.26 -5.33 115.22 117.12 2key n HIS 111 Ca -0.11 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2key n HIS 111 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2key n HIS 111 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56