#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 0.00 -2.40 3.17 2.85 -1.26 -5.09 115.26 112.52 2key n ASN 2 Ca 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.44 2key n ASN 2 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2key n ASN 2 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2key n ASN 3 N 0.00 -6.20 0.01 1.20 5.15 -1.26 -4.95 115.26 109.21 2key n ASN 3 Ca 0.00 0.65 0.13 0.00 -0.60 0.00 0.00 54.58 54.76 2key n ASN 3 Cb 0.00 -4.07 0.43 0.00 -0.53 0.00 0.00 39.78 35.61 2key n ASN 3 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2key n PRO 4 N 0.01 0.02 -1.01 1.20 -0.04 -1.26 -4.32 135.00 129.60 2key n PRO 4 Ca 0.05 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.38 2key n PRO 4 Cb 0.18 -1.52 -0.15 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.56 5.47 -0.86 3.54 3.41 -1.26 -4.29 113.62 118.08 2key n SER 5 Ca 0.06 -2.47 0.11 0.00 -0.26 0.00 0.00 58.87 56.31 2key n SER 5 Cb 0.35 -1.41 0.28 0.00 -0.26 0.00 0.00 64.21 63.17 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 2.61 2.59 -4.66 4.04 2.03 -1.26 -4.81 116.55 117.09 2key n ASP 6 Ca 0.46 -1.86 -0.39 0.00 0.52 0.00 0.00 54.79 53.52 2key n ASP 6 Cb 0.84 -0.15 -0.07 0.00 -0.72 0.00 0.00 41.12 41.01 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 -1.69 3.37 -0.07 -0.67 0.08 -1.26 -4.95 117.98 112.78 2key s PHE 7 Ca 0.35 0.70 0.14 0.00 0.12 0.00 0.00 56.93 58.24 2key s PHE 7 Cb 0.20 -2.61 -0.19 0.00 -0.57 0.00 0.00 43.02 39.85 2key s PHE 7 CO 0.29 -0.07 0.74 0.87 -0.10 0.00 0.00 175.22 176.95 2key h LYS 8 N 7.46 0.00 -4.42 0.44 1.57 -1.90 -3.48 116.57 116.24 2key h LYS 8 Ca -0.34 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.13 2key h LYS 8 Cb 1.16 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.35 2key h LYS 8 CO 0.73 0.42 -0.38 -1.12 -0.57 0.00 0.00 179.45 178.53 2key s SER 9 N -5.98 0.85 0.30 0.86 0.01 -1.26 -3.85 113.70 104.63 2key s SER 9 Ca -0.04 -1.48 -0.01 0.00 1.31 0.00 0.00 55.95 55.73 2key s SER 9 Cb 0.08 0.55 0.47 0.00 0.21 0.00 0.00 66.02 67.34 2key s SER 9 CO 0.82 -1.10 1.95 2.19 0.41 0.00 0.00 173.24 177.51 2key h PHE 10 N 2.26 1.04 0.00 2.43 -0.00 -1.87 -1.11 116.94 119.68 2key h PHE 10 Ca -0.29 0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 57.68 2key h PHE 10 Cb 1.24 -0.35 -0.00 0.00 -0.00 0.00 0.00 35.95 36.84 2key h PHE 10 CO 1.16 0.62 -0.11 1.12 -0.00 0.00 0.00 178.31 181.10 2key h HIS 11 N 1.09 0.00 0.04 6.09 2.07 -1.89 0.32 115.15 122.87 2key h HIS 11 Ca 0.33 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.79 2key h HIS 11 Cb -0.02 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.97 2key h HIS 11 CO -0.00 0.11 -0.29 -0.44 -3.07 0.00 0.00 177.93 174.24 2key h ASP 12 N 0.00 0.14 -0.08 3.10 3.32 -1.63 -2.85 116.42 118.41 2key h ASP 12 Ca -0.00 -0.98 -0.00 0.00 0.02 0.00 0.00 57.03 56.07 2key h ASP 12 Cb 0.33 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 2key h ASP 12 CO 0.01 1.13 0.04 -0.26 -1.72 0.00 0.00 179.24 178.45 2key h PHE 13 N -0.80 0.12 -0.31 4.55 0.04 -0.76 -2.18 116.94 117.59 2key h PHE 13 Ca -0.05 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 2key h PHE 13 Cb 1.21 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.30 2key h PHE 13 CO 0.25 0.20 -0.08 0.28 -0.60 0.00 0.00 178.31 178.36 2key h VAL 14 N 0.01 1.22 -0.74 -0.55 2.07 -0.55 -2.07 116.25 115.63 2key h VAL 14 Ca 0.03 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 2key h VAL 14 Cb 0.12 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2key h VAL 14 CO -0.00 0.31 0.34 0.00 0.02 0.00 0.00 177.57 178.23 2key h ALA 15 N 1.45 0.96 -0.26 1.67 0.00 -1.24 0.36 119.26 122.20 2key h ALA 15 Ca 0.09 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2key h ALA 15 Cb 0.43 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2key h ALA 15 CO 0.02 0.54 -0.12 1.03 0.00 0.00 0.00 179.25 180.72 2key h SER 16 N 1.05 0.56 -0.58 0.00 0.87 -1.04 0.18 113.55 114.59 2key h SER 16 Ca 0.25 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 2key h SER 16 Cb 0.15 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 2key h SER 16 CO -0.03 0.84 0.28 0.22 -0.53 0.00 0.00 176.83 177.61 2key h TYR 17 N 0.28 0.84 -0.26 2.24 3.20 -1.15 -0.33 116.97 121.79 2key h TYR 17 Ca 0.06 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2key h TYR 17 Cb 0.62 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2key h TYR 17 CO 0.06 0.64 0.15 1.98 -1.64 0.00 0.00 178.16 179.35 2key h MET 18 N 0.79 0.36 -0.87 1.82 4.05 -0.15 -2.38 114.93 118.55 2key h MET 18 Ca 0.20 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.64 2key h MET 18 Cb 0.12 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 30.79 2key h MET 18 CO -0.03 0.29 0.57 -0.22 0.23 0.00 0.00 176.91 177.76 2key h LYS 19 N 0.33 0.99 0.14 0.39 3.11 -0.36 -0.80 116.57 120.36 2key h LYS 19 Ca 0.09 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.87 2key h LYS 19 Cb 0.03 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.04 2key h LYS 19 CO -0.02 0.65 -0.07 1.15 -2.81 0.00 0.00 179.45 178.36 2key h THR 20 N 1.01 0.87 0.00 1.00 2.02 -0.53 -2.67 112.91 114.61 2key h THR 20 Ca 0.36 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.53 2key h THR 20 Cb 0.14 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2key h THR 20 CO -0.12 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 175.48 2key n TYR 21 N -5.17 0.61 0.29 3.16 4.11 -1.12 -3.28 117.16 115.76 2key n TYR 21 Ca -0.08 0.18 0.07 0.00 -0.00 0.00 0.00 57.90 58.06 2key n TYR 21 Cb 0.10 -0.72 0.30 0.00 -0.00 0.00 0.00 39.34 39.01 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 -2.06 0.21 0.29 9.48 2.88 -0.32 -2.42 113.62 121.69 2key n SER 22 Ca 0.05 0.57 0.17 0.00 -1.33 0.00 0.00 58.87 58.33 2key n SER 22 Cb 0.42 -0.61 0.89 0.00 -0.75 0.00 0.00 64.21 64.16 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 0.14 -1.46 3.08 -1.54 -2.81 114.38 111.79 2key h ARG 23 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 2key h ARG 23 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2key h ARG 23 CO 0.00 0.05 -1.70 0.00 -1.07 0.00 0.00 179.97 177.25 2key h ARG 24 N 0.00 0.30 -7.04 0.04 3.08 -1.76 -3.48 114.38 105.53 2key h ARG 24 Ca -0.00 -0.52 -0.45 0.00 0.07 0.00 0.00 59.98 59.08 2key h ARG 24 Cb 0.26 0.19 0.07 0.00 0.08 0.00 0.00 29.97 30.57 2key h ARG 24 CO 0.01 1.25 0.07 -0.48 -1.07 0.00 0.00 179.97 179.74 2key s LEU 25 N -7.33 3.07 0.62 3.04 0.05 -1.06 -5.10 118.68 111.97 2key s LEU 25 Ca -0.19 -0.08 -0.04 0.00 0.05 0.00 0.00 54.13 53.87 2key s LEU 25 Cb 0.05 -2.53 0.04 0.00 -2.05 0.00 0.00 46.19 41.70 2key s LEU 25 CO 0.80 -1.53 0.90 -1.83 -0.55 0.00 0.00 176.35 174.13 2key s GLU 26 N -5.01 2.51 0.40 1.48 -1.05 -1.26 -4.95 118.70 110.82 2key s GLU 26 Ca 0.62 -0.35 0.15 0.00 -0.15 0.00 0.00 54.97 55.23 2key s GLU 26 Cb -0.08 -2.30 0.84 0.00 -0.44 0.00 0.00 34.13 32.14 2key s GLU 26 CO 0.42 -0.91 1.87 0.82 0.95 0.00 0.00 175.26 178.41 2key h ILE 27 N -0.26 1.16 -0.17 1.83 1.08 -1.98 -2.59 117.51 116.58 2key h ILE 27 Ca -0.44 -1.11 0.05 0.00 -0.39 0.00 0.00 64.86 62.97 2key h ILE 27 Cb 1.29 1.61 -0.05 0.00 -3.07 0.00 0.00 36.82 36.60 2key h ILE 27 CO 0.58 0.31 -0.15 1.23 -0.69 0.00 0.00 178.15 179.43 2key h GLY 28 N 1.04 -0.04 1.51 5.37 0.00 -1.99 0.39 103.07 109.35 2key h GLY 28 Ca -0.00 0.19 -0.28 0.00 0.00 0.00 0.00 47.33 47.23 2key h GLY 28 CO 0.04 -0.15 -1.25 0.00 0.00 0.00 0.00 176.54 175.18 2key h THR 29 N -0.17 1.42 -0.04 4.70 1.03 -1.96 -3.06 112.91 114.83 2key h THR 29 Ca 0.11 -2.85 0.03 0.00 -0.01 0.00 0.00 66.41 63.69 2key h THR 29 Cb 0.33 2.87 -0.04 0.00 -1.07 0.00 0.00 68.15 70.23 2key h THR 29 CO -0.27 0.84 -0.22 0.15 -0.01 0.00 0.00 175.52 176.02 2key h PHE 30 N 0.13 -0.58 0.00 0.00 3.57 -1.18 -2.46 116.94 116.42 2key h PHE 30 Ca -0.16 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.33 2key h PHE 30 Cb 1.95 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 40.95 2key h PHE 30 CO 0.08 -0.30 -0.18 0.07 -2.23 0.00 0.00 178.31 175.74 2key h ARG 31 N -0.32 0.00 -0.46 1.11 0.11 -0.32 -2.04 114.38 112.45 2key h ARG 31 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 2key h ARG 31 Cb 0.43 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.48 2key h ARG 31 CO -0.23 0.18 0.29 1.25 0.10 0.00 0.00 179.97 181.57 2key h HIS 32 N 0.00 0.59 -0.20 4.08 2.76 -1.33 0.10 115.15 121.16 2key h HIS 32 Ca -0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2key h HIS 32 Cb 0.48 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.24 2key h HIS 32 CO 0.00 0.39 0.00 -2.39 -1.30 0.00 0.00 177.93 174.63 2key n HIS 33 N -4.45 0.26 -0.09 5.26 1.44 -1.09 -4.54 115.22 112.01 2key n HIS 33 Ca 0.04 -0.29 -0.21 0.00 -2.01 0.00 0.00 57.72 55.25 2key n HIS 33 Cb 0.07 -0.02 -0.12 0.00 0.12 0.00 0.00 29.99 30.04 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 0.53 0.66 0.24 -1.40 4.81 -0.57 -4.59 118.16 117.85 2key n LYS 34 Ca 0.09 0.24 0.07 0.00 -0.87 0.00 0.00 58.31 57.84 2key n LYS 34 Cb 0.36 -1.59 0.57 0.00 0.02 0.00 0.00 35.03 34.38 2key n LYS 34 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2key h SER 35 N -0.23 0.00 0.73 3.14 0.87 -1.08 -0.32 113.55 116.66 2key h SER 35 Ca -0.54 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 59.99 2key h SER 35 Cb 1.84 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.81 2key h SER 35 CO -0.10 0.13 -0.35 0.00 -0.53 0.00 0.00 176.83 175.97 2key h MET 37 N -1.02 0.00 -0.39 0.00 1.85 -1.78 -3.09 114.93 110.49 2key h MET 37 Ca -0.10 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 58.94 2key h MET 37 Cb 0.75 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.76 2key h MET 37 CO 0.16 0.39 0.06 -0.09 -0.40 0.00 0.00 176.91 177.03 2key h ARG 38 N 0.00 0.65 0.22 0.39 1.12 -1.01 0.14 114.38 115.89 2key h ARG 38 Ca -0.00 -0.18 -0.01 0.00 -1.11 0.00 0.00 59.98 58.68 2key h ARG 38 Cb 0.74 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.62 2key h ARG 38 CO 0.05 0.70 -0.13 -0.22 -3.11 0.00 0.00 179.97 177.26 2key h LYS 39 N 0.50 -0.32 0.00 0.20 3.64 -1.23 -3.11 116.57 116.24 2key h LYS 39 Ca 0.12 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2key h LYS 39 Cb 0.37 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2key h LYS 39 CO 0.01 -0.21 -0.13 0.35 -2.27 0.00 0.00 179.45 177.19 2key h PHE 40 N -0.33 0.00 -5.63 1.91 3.04 -1.66 -3.46 116.94 110.81 2key h PHE 40 Ca -0.03 0.00 -0.36 0.00 3.98 0.00 0.00 57.97 61.56 2key h PHE 40 Cb 0.27 0.00 -0.12 0.00 2.56 0.00 0.00 35.95 38.66 2key h PHE 40 CO 0.05 0.13 -0.53 0.36 -2.02 0.00 0.00 178.31 176.31 2key n LYS 41 N -3.26 -2.88 -1.75 1.11 2.85 0.04 -4.88 118.16 109.39 2key n LYS 41 Ca 0.01 0.36 -0.35 0.00 -1.05 0.00 0.00 58.31 57.27 2key n LYS 41 Cb 0.40 -5.01 0.06 0.00 -0.65 0.00 0.00 35.03 29.82 2key n LYS 41 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2key s GLU 42 N -6.04 2.61 -0.21 -1.58 -1.05 -1.26 -5.05 118.70 106.13 2key s GLU 42 Ca 0.40 1.78 -0.18 0.00 -0.15 0.00 0.00 54.97 56.82 2key s GLU 42 Cb -0.22 -1.89 0.05 0.00 -0.44 0.00 0.00 34.13 31.63 2key s GLU 42 CO 0.50 -1.47 0.55 1.52 0.95 0.00 0.00 175.26 177.30 2key s TYR 43 N -1.80 -0.62 -1.08 4.83 -0.85 -1.26 -4.66 117.35 111.91 2key s TYR 43 Ca 0.76 1.49 -0.02 0.00 -0.52 0.00 0.00 57.07 58.77 2key s TYR 43 Cb -0.29 0.23 0.29 0.00 0.38 0.00 0.00 41.96 42.56 2key s TYR 43 CO 0.39 -0.30 1.89 0.00 -1.52 0.00 0.00 175.55 176.01 2key n GLU 45 N 0.34 0.00 0.00 0.00 1.02 -1.26 -4.55 120.64 116.19 2key n GLU 45 Ca 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 2key n GLU 45 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 2key n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2key n GLY 46 N 0.00 5.03 3.17 0.62 0.00 -1.25 -4.27 105.19 108.49 2key n GLY 46 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.24 0.00 0.99 1.98 -1.26 -3.00 118.68 117.15 2key s LEU 47 Ca 0.00 0.19 0.02 0.00 -2.89 0.00 0.00 54.13 51.45 2key s LEU 47 Cb 0.00 1.22 -0.01 0.00 0.66 0.00 0.00 46.19 48.06 2key s LEU 47 CO 0.00 -0.05 0.07 0.00 -1.89 0.00 0.00 176.35 174.49 2key n GLN 48 N 5.30 0.80 0.01 1.98 3.00 -1.26 -4.88 117.38 122.32 2key n GLN 48 Ca -0.08 -2.82 -0.02 0.00 -0.01 0.00 0.00 57.00 54.06 2key n GLN 48 Cb 0.54 1.23 0.23 0.00 0.00 0.00 0.00 30.24 32.24 2key n GLN 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2key h PHE 49 N 1.41 0.54 0.00 1.08 -0.00 -1.94 -1.49 116.94 116.55 2key h PHE 49 Ca -0.28 -0.10 0.00 0.00 -0.00 0.00 0.00 57.97 57.59 2key h PHE 49 Cb 0.99 -0.14 0.00 0.00 -0.00 0.00 0.00 35.95 36.79 2key h PHE 49 CO 0.00 0.65 0.00 -2.39 -0.00 0.00 0.00 178.31 176.57 2key n HIS 50 N -4.17 0.00 0.07 6.09 1.44 -1.26 -2.46 115.22 114.93 2key n HIS 50 Ca 0.00 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.77 2key n HIS 50 Cb 0.35 -0.40 0.12 0.00 0.12 0.00 0.00 29.99 30.18 2key n HIS 50 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2key n GLU 51 N -1.40 2.01 -3.72 -1.40 1.02 -0.58 -4.76 120.64 111.81 2key n GLU 51 Ca 0.07 -1.74 -0.29 0.00 -0.02 0.00 0.00 57.16 55.18 2key n GLU 51 Cb 0.20 -1.26 -0.13 0.00 -0.02 0.00 0.00 31.44 30.23 2key n GLU 51 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2key s LEU 52 N -0.99 3.00 0.41 -4.62 1.98 -1.03 -4.82 118.68 112.61 2key s LEU 52 Ca 0.20 -2.90 0.05 0.00 -2.89 0.00 0.00 54.13 48.59 2key s LEU 52 Cb 0.12 -1.11 -0.02 0.00 0.66 0.00 0.00 46.19 45.84 2key s LEU 52 CO 0.16 -0.22 0.17 0.42 -1.89 0.00 0.00 176.35 174.99 2key s THR 53 N -0.02 0.40 0.17 3.68 -4.23 -1.26 -4.78 115.64 109.60 2key s THR 53 Ca 0.21 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.57 2key s THR 53 Cb -0.18 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.40 2key s THR 53 CO -0.05 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 175.74 2key h GLU 54 N 1.79 0.48 -0.61 3.99 4.22 -1.89 -1.74 114.58 120.82 2key h GLU 54 Ca -0.32 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.08 2key h GLU 54 Cb 1.27 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 2key h GLU 54 CO 0.50 0.32 0.35 0.22 -2.18 0.00 0.00 179.01 178.22 2key h ASP 55 N 0.49 0.74 0.12 1.04 3.58 -1.95 0.41 116.42 120.86 2key h ASP 55 Ca 0.20 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2key h ASP 55 Cb 0.08 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2key h ASP 55 CO -0.13 0.58 -0.06 0.15 -2.88 0.00 0.00 179.24 176.91 2key h PHE 56 N 0.85 -0.15 -0.89 0.28 3.57 -1.80 0.56 116.94 119.35 2key h PHE 56 Ca 0.22 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2key h PHE 56 Cb -0.01 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 2key h PHE 56 CO 0.00 0.04 0.51 -0.07 -2.23 0.00 0.00 178.31 176.56 2key h LEU 57 N -0.32 1.09 0.38 0.59 -0.00 -0.63 0.22 115.31 116.63 2key h LEU 57 Ca -0.02 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.76 2key h LEU 57 Cb 0.26 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 2key h LEU 57 CO 0.03 0.86 -0.18 -0.09 -0.00 0.00 0.00 178.44 179.06 2key h ARG 58 N 1.23 -0.49 -0.52 1.13 2.43 -0.07 0.19 114.38 118.29 2key h ARG 58 Ca 0.32 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.43 2key h ARG 58 Cb -0.01 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2key h ARG 58 CO -0.05 -0.32 -0.02 0.22 -1.51 0.00 0.00 179.97 178.29 2key h ASP 59 N -0.51 0.87 0.64 -3.80 3.58 -0.69 -2.79 116.42 113.71 2key h ASP 59 Ca -0.05 -0.23 -0.10 0.00 0.42 0.00 0.00 57.03 57.06 2key h ASP 59 Cb 0.39 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2key h ASP 59 CO 0.09 0.94 -0.49 0.22 -2.88 0.00 0.00 179.24 177.11 2key h TYR 60 N 0.82 0.00 -0.13 0.28 3.20 -0.44 0.25 116.97 120.96 2key h TYR 60 Ca 0.15 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2key h TYR 60 Cb 0.51 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2key h TYR 60 CO 0.03 0.49 0.02 1.25 -1.64 0.00 0.00 178.16 178.32 2key h LEU 61 N 0.00 0.20 -0.02 2.82 5.85 -0.74 0.29 115.31 123.70 2key h LEU 61 Ca -0.00 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.47 2key h LEU 61 Cb 0.95 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 2key h LEU 61 CO 0.06 0.40 -0.01 0.40 -0.34 0.00 0.00 178.44 178.95 2key h ILE 62 N -0.00 0.96 -0.92 4.05 1.08 -1.21 -2.18 117.51 119.29 2key h ILE 62 Ca 0.04 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.62 2key h ILE 62 Cb 0.28 0.96 -0.07 0.00 -3.07 0.00 0.00 36.82 34.92 2key h ILE 62 CO 0.00 0.00 0.59 0.22 -0.69 0.00 0.00 178.15 178.27 2key h TYR 63 N -0.01 0.97 -0.18 1.37 3.20 -0.43 0.41 116.97 122.30 2key h TYR 63 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2key h TYR 63 Cb 0.03 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 2key h TYR 63 CO -0.10 0.42 0.08 1.98 -1.64 0.00 0.00 178.16 178.90 2key h MET 64 N 0.88 0.26 0.16 1.82 4.05 0.05 -0.29 114.93 121.85 2key h MET 64 Ca 0.44 -0.04 -0.27 0.00 -0.28 0.00 0.00 59.70 59.54 2key h MET 64 Cb 0.48 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.25 2key h MET 64 CO -0.20 0.31 -1.29 -0.22 0.23 0.00 0.00 176.91 175.74 2key h LYS 65 N 0.14 0.34 0.28 0.39 3.11 -0.91 -0.09 116.57 119.83 2key h LYS 65 Ca 0.06 -0.57 -0.01 0.00 -2.81 0.00 0.00 60.65 57.31 2key h LYS 65 Cb 0.14 0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 2key h LYS 65 CO -0.01 1.28 -0.13 -0.22 -2.81 0.00 0.00 179.45 177.56 2key h LYS 66 N -0.19 -0.36 0.06 1.90 1.63 -0.27 -3.38 116.57 115.97 2key h LYS 66 Ca -0.25 0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.49 2key h LYS 66 Cb 1.85 0.08 0.01 0.00 -0.60 0.00 0.00 32.23 33.56 2key h LYS 66 CO 0.14 -0.24 -0.38 1.15 -3.45 0.00 0.00 179.45 176.67 2key h THR 67 N -0.99 1.65 0.00 1.00 2.02 -1.24 -3.44 112.91 111.92 2key h THR 67 Ca -0.04 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.72 2key h THR 67 Cb 0.28 3.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 2key h THR 67 CO 0.06 0.65 0.00 -0.11 0.37 0.00 0.00 175.52 176.49 2key n LEU 68 N -4.40 0.59 0.00 2.58 0.00 -0.54 -5.04 117.00 110.20 2key n LEU 68 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.89 2key n LEU 68 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.05 2key n LEU 68 CO 0.40 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.79 2key s ASN 70 N -1.91 6.36 0.91 0.00 0.01 -1.06 -4.78 114.94 114.47 2key s ASN 70 Ca 0.00 3.02 -0.10 0.00 -0.71 0.00 0.00 52.86 55.07 2key s ASN 70 Cb 0.00 -2.67 0.16 0.00 0.41 0.00 0.00 41.25 39.16 2key s ASN 70 CO 0.00 -0.86 0.99 0.00 -1.51 0.00 0.00 177.10 175.72 2key n ALA 71 N 0.46 -0.83 0.00 0.60 0.00 -1.26 -3.09 120.51 116.40 2key n ALA 71 Ca 0.01 -1.44 -0.13 0.00 0.00 0.00 0.00 53.44 51.89 2key n ALA 71 Cb 0.40 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 2key n ALA 71 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2key h ASP 72 N -1.14 -1.35 -0.45 0.00 5.19 -1.95 0.52 116.42 117.25 2key h ASP 72 Ca -0.32 0.18 0.04 0.00 -0.62 0.00 0.00 57.03 56.30 2key h ASP 72 Cb 0.96 0.54 -0.04 0.00 0.18 0.00 0.00 39.33 40.97 2key h ASP 72 CO 0.25 -0.43 0.22 0.28 -3.12 0.00 0.00 179.24 176.44 2key h SER 73 N -0.50 0.31 0.11 6.45 0.02 -2.00 -1.00 113.55 116.94 2key h SER 73 Ca 0.07 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.89 2key h SER 73 Cb 0.63 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2key h SER 73 CO -0.40 0.22 -0.56 0.74 -1.14 0.00 0.00 176.83 175.70 2key h THR 74 N 0.44 1.33 -0.91 -2.27 2.02 -1.79 -2.76 112.91 108.98 2key h THR 74 Ca 0.20 -1.83 0.02 0.00 0.77 0.00 0.00 66.41 65.57 2key h THR 74 Cb 0.11 1.82 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 2key h THR 74 CO -0.15 0.56 0.60 0.00 0.37 0.00 0.00 175.52 176.91 2key h ALA 75 N 1.03 1.39 -0.59 6.16 0.00 0.58 -1.18 119.26 126.65 2key h ALA 75 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2key h ALA 75 Cb 1.09 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2key h ALA 75 CO 0.10 0.54 0.39 1.96 0.00 0.00 0.00 179.25 182.23 2key h GLN 76 N 1.18 0.61 -0.13 0.00 1.08 -0.90 -0.04 115.11 116.91 2key h GLN 76 Ca 0.35 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.44 2key h GLN 76 Cb -0.05 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.24 2key h GLN 76 CO -0.09 0.41 -0.19 0.00 -0.95 0.00 0.00 178.83 178.00 2key h ARG 77 N 0.63 0.37 0.00 1.46 -0.00 -1.18 0.11 114.38 115.76 2key h ARG 77 Ca 0.24 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.98 59.49 2key h ARG 77 Cb 0.17 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.16 2key h ARG 77 CO -0.07 0.80 -0.09 -0.97 0.00 0.00 0.00 179.97 179.64 2key h ASN 78 N -0.03 0.00 0.57 7.04 -1.24 -0.94 -2.00 115.58 118.98 2key h ASN 78 Ca 0.01 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.74 2key h ASN 78 Cb 0.76 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.77 2key h ASN 78 CO 0.05 0.09 -1.54 -0.07 -1.29 0.00 0.00 177.43 174.66 2key h LEU 79 N 0.00 0.11 -1.27 0.34 3.38 -0.97 -3.36 115.31 113.54 2key h LEU 79 Ca -0.00 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2key h LEU 79 Cb 0.58 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2key h LEU 79 CO 0.01 1.16 -0.03 -1.28 0.09 0.00 0.00 178.44 178.39 2key h SER 80 N 0.02 0.43 -0.13 -0.43 0.87 -0.07 -0.07 113.55 114.17 2key h SER 80 Ca -0.23 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2key h SER 80 Cb 1.96 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.80 2key h SER 80 CO 0.11 0.52 0.08 0.71 -0.53 0.00 0.00 176.83 177.71 2key h THR 81 N 0.44 1.06 -0.79 2.23 1.35 -1.57 -0.83 112.91 114.78 2key h THR 81 Ca 0.09 -0.15 -0.04 0.00 -0.55 0.00 0.00 66.41 65.76 2key h THR 81 Cb 0.34 0.93 -0.04 0.00 -1.73 0.00 0.00 68.15 67.65 2key h THR 81 CO 0.01 0.06 0.34 0.40 -0.25 0.00 0.00 175.52 176.07 2key h ILE 82 N 0.14 1.26 -0.59 6.82 2.04 -1.64 -2.83 117.51 122.71 2key h ILE 82 Ca 0.05 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.14 2key h ILE 82 Cb 0.02 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 2key h ILE 82 CO -0.01 0.33 0.39 0.50 0.00 0.00 0.00 178.15 179.36 2key h LYS 83 N 1.15 0.70 -0.99 2.37 3.64 -0.46 -0.75 116.57 122.22 2key h LYS 83 Ca 0.27 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2key h LYS 83 Cb 0.19 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 2key h LYS 83 CO -0.03 0.46 0.66 0.82 -2.27 0.00 0.00 179.45 179.10 2key h ILE 84 N 0.72 1.25 -0.11 2.00 2.04 -0.90 0.82 117.51 123.32 2key h ILE 84 Ca 0.23 -0.46 -0.13 0.00 1.00 0.00 0.00 64.86 65.50 2key h ILE 84 Cb 0.03 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 35.91 2key h ILE 84 CO -0.06 0.25 -0.44 0.22 0.00 0.00 0.00 178.15 178.12 2key h TYR 85 N 1.34 0.66 0.16 1.37 3.20 -1.32 -2.08 116.97 120.31 2key h TYR 85 Ca 0.37 -0.28 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2key h TYR 85 Cb -0.15 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.01 2key h TYR 85 CO -0.00 1.04 -0.08 0.28 -1.64 0.00 0.00 178.16 177.77 2key h VAL 86 N 0.10 0.90 -0.67 1.81 2.07 -0.79 -0.35 116.25 119.32 2key h VAL 86 Ca -0.02 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.31 2key h VAL 86 Cb 1.08 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 2key h VAL 86 CO 0.09 0.06 0.44 0.28 0.02 0.00 0.00 177.57 178.47 2key h SER 87 N -0.34 0.59 0.37 0.57 0.02 0.59 -0.57 113.55 114.79 2key h SER 87 Ca -0.02 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 2key h SER 87 Cb 0.26 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2key h SER 87 CO 0.04 0.38 -0.72 0.00 -1.14 0.00 0.00 176.83 175.38 2key h ALA 88 N 1.64 0.66 0.00 3.77 0.00 -1.15 -3.06 119.26 121.12 2key h ALA 88 Ca 0.29 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2key h ALA 88 Cb 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2key h ALA 88 CO -0.09 0.79 -0.22 0.00 0.00 0.00 0.00 179.25 179.72 2key h ALA 89 N 1.03 1.21 -0.29 0.00 0.00 0.47 -0.52 119.26 121.16 2key h ALA 89 Ca -0.03 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 2key h ALA 89 Cb 1.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2key h ALA 89 CO 0.12 0.28 -0.53 0.82 0.00 0.00 0.00 179.25 179.93 2key h ILE 90 N 0.00 1.28 -0.47 0.00 2.04 -1.21 0.49 117.51 119.64 2key h ILE 90 Ca -0.00 -1.72 -0.10 0.00 1.00 0.00 0.00 64.86 64.03 2key h ILE 90 Cb 0.56 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2key h ILE 90 CO 0.03 0.56 -0.12 0.50 0.00 0.00 0.00 178.15 179.12 2key h LYS 91 N 0.66 0.86 -0.13 2.37 3.11 -1.37 -2.76 116.57 119.31 2key h LYS 91 Ca 0.02 -0.30 -0.10 0.00 -2.81 0.00 0.00 60.65 57.46 2key h LYS 91 Cb 1.13 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.29 2key h LYS 91 CO 0.12 0.94 -0.35 -0.22 -2.81 0.00 0.00 179.45 177.13 2key h LYS 92 N 0.77 0.27 0.00 1.90 1.63 -0.97 -3.47 116.57 116.71 2key h LYS 92 Ca 0.13 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2key h LYS 92 Cb 0.63 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 2key h LYS 92 CO 0.04 0.59 0.00 0.41 -3.45 0.00 0.00 179.45 177.04 2key n GLY 93 N -0.31 1.61 0.12 5.01 0.00 -0.16 -5.02 105.19 106.43 2key n GLY 93 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.16 1.08 -4.19 1.61 9.36 0.15 -4.93 117.16 119.08 2key n TYR 94 Ca 0.00 0.36 -0.30 0.00 3.32 0.00 0.00 57.90 61.28 2key n TYR 94 Cb 0.00 -1.12 -0.09 0.00 -0.63 0.00 0.00 39.34 37.50 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 -2.44 2.46 0.11 2.98 -1.94 -1.16 -4.99 119.30 114.33 2key s MET 95 Ca -0.27 -0.86 -0.04 0.00 -1.71 0.00 0.00 55.69 52.81 2key s MET 95 Cb 0.06 -2.49 -0.16 0.00 2.01 0.00 0.00 34.83 34.26 2key s MET 95 CO 0.65 0.54 1.25 0.93 -0.01 0.00 0.00 175.02 178.38 2key h GLU 96 N 3.63 0.35 -3.07 2.03 5.08 -1.92 -3.39 114.58 117.29 2key h GLU 96 Ca -0.48 -0.45 -0.05 0.00 -1.00 0.00 0.00 59.36 57.38 2key h GLU 96 Cb 1.17 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 30.42 2key h GLU 96 CO 0.57 1.14 0.01 0.54 -1.00 0.00 0.00 179.01 180.28 2key s ASN 97 N -7.11 -0.37 0.41 1.42 4.22 -1.26 -5.07 114.94 107.18 2key s ASN 97 Ca -0.05 -0.06 -0.25 0.00 -2.14 0.00 0.00 52.86 50.36 2key s ASN 97 Cb 0.08 0.50 -0.08 0.00 1.28 0.00 0.00 41.25 43.03 2key s ASN 97 CO 0.87 -0.81 1.19 -0.62 -2.04 0.00 0.00 177.10 175.69 2key s ASP 98 N -2.43 6.43 0.47 3.54 -1.08 -1.26 -4.93 116.67 117.41 2key s ASP 98 Ca -0.01 2.39 0.20 0.00 -0.52 0.00 0.00 52.55 54.61 2key s ASP 98 Cb 0.00 -2.62 1.17 0.00 -1.46 0.00 0.00 42.92 40.02 2key s ASP 98 CO -0.08 -0.74 2.00 1.55 0.52 0.00 0.00 175.17 178.42 2key h PRO 99 N 2.55 0.00 0.00 4.34 0.13 -1.91 -2.47 132.00 134.64 2key h PRO 99 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2key h PRO 99 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2key h PRO 99 CO 0.62 0.18 -0.04 0.35 -0.23 0.00 0.00 178.00 178.88 2key h PHE 100 N 0.00 0.00 -0.11 1.56 3.57 -1.94 0.34 116.94 120.36 2key h PHE 100 Ca -0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2key h PHE 100 Cb 0.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.13 2key h PHE 100 CO 0.00 0.04 -0.29 0.87 -2.23 0.00 0.00 178.31 176.71 2key h LYS 101 N 0.00 0.39 0.00 1.11 6.56 -1.83 -3.20 116.57 119.60 2key h LYS 101 Ca -0.00 -0.27 0.00 0.00 -1.06 0.00 0.00 60.65 59.32 2key h LYS 101 Cb 0.08 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 2key h LYS 101 CO 0.01 0.89 -0.21 -3.47 -2.06 0.00 0.00 179.45 174.61 2key n ASP 102 N -4.43 0.32 0.26 0.86 2.03 -1.00 -3.39 116.55 111.20 2key n ASP 102 Ca -0.07 0.26 0.17 0.00 0.52 0.00 0.00 54.79 55.67 2key n ASP 102 Cb 0.47 -0.26 0.72 0.00 -0.72 0.00 0.00 41.12 41.34 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 0.00 0.00 0.00 -0.67 3.57 -0.93 -3.46 116.94 115.45 2key h PHE 103 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2key h PHE 103 Cb 0.56 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2key h PHE 103 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 2key n GLY 104 N -0.15 4.95 3.04 2.40 0.00 -1.22 -5.09 105.19 109.12 2key n GLY 104 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.69 0.00 0.99 1.98 -1.26 -5.05 118.68 114.64 2key s LEU 105 Ca 0.00 0.51 0.00 0.00 -2.89 0.00 0.00 54.13 51.75 2key s LEU 105 Cb 0.00 1.27 0.00 0.00 0.66 0.00 0.00 46.19 48.12 2key s LEU 105 CO 0.00 -0.28 0.00 -0.62 -1.89 0.00 0.00 176.35 173.56 2key n GLU 106 N 5.38 0.00 -3.67 1.98 1.02 -1.26 -5.05 120.64 119.04 2key n GLU 106 Ca -0.05 0.09 -0.08 0.00 -0.02 0.00 0.00 57.16 57.10 2key n GLU 106 Cb 0.50 -0.43 -0.09 0.00 -0.02 0.00 0.00 31.44 31.39 2key n GLU 106 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2key s HIS 107 N -0.45 -0.81 0.04 -0.32 5.04 -1.26 -5.13 115.29 112.40 2key s HIS 107 Ca 0.00 1.60 -0.31 0.00 -1.54 0.00 0.00 55.06 54.81 2key s HIS 107 Cb 0.00 0.39 -0.06 0.00 0.04 0.00 0.00 32.58 32.94 2key s HIS 107 CO 0.00 -0.45 1.42 -1.58 -2.34 0.00 0.00 174.74 171.79 2key s HIS 108 N 2.00 2.92 0.14 3.88 2.46 -1.26 -4.93 115.29 120.50 2key s HIS 108 Ca -0.07 0.80 -0.34 0.00 0.47 0.00 0.00 55.06 55.92 2key s HIS 108 Cb -0.09 -3.70 -0.14 0.00 -0.13 0.00 0.00 32.58 28.51 2key s HIS 108 CO -0.14 -2.58 1.53 0.72 -2.47 0.00 0.00 174.74 171.80 2key n HIS 109 N 4.97 2.12 0.00 3.88 8.25 -1.26 -4.95 115.22 128.24 2key n HIS 109 Ca 0.13 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2key n HIS 109 Cb 0.43 -2.50 0.00 0.00 1.12 0.00 0.00 29.99 29.04 2key n HIS 109 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2key n HIS 110 N 3.27 0.00 0.00 4.41 -0.00 -1.26 -5.08 115.22 116.56 2key n HIS 110 Ca 0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.35 2key n HIS 110 Cb 0.27 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 2key n HIS 110 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2key n HIS 111 N -0.30 0.00 1.60 1.57 -0.00 -1.26 -5.33 115.22 111.50 2key n HIS 111 Ca 0.00 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.32 2key n HIS 111 Cb 0.00 0.00 0.61 0.00 -0.12 0.00 0.00 29.99 30.48 2key n HIS 111 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38