#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 3.65 0.08 3.17 -0.87 -1.26 -5.14 114.94 114.58 2key s ASN 2 Ca 0.00 -1.39 -0.14 0.00 -1.57 0.00 0.00 52.86 49.75 2key s ASN 2 Cb 0.00 -0.28 -0.06 0.00 -0.02 0.00 0.00 41.25 40.89 2key s ASN 2 CO 0.00 -0.51 0.48 0.21 -2.57 0.00 0.00 177.10 174.72 2key s ASN 3 N -3.69 6.83 -0.87 -1.22 3.84 -1.26 -4.99 114.94 113.59 2key s ASN 3 Ca 0.33 1.02 -0.22 0.00 0.21 0.00 0.00 52.86 54.21 2key s ASN 3 Cb 0.09 -2.27 -0.14 0.00 -0.55 0.00 0.00 41.25 38.39 2key s ASN 3 CO 0.17 0.21 1.94 -2.65 -2.79 0.00 0.00 177.10 173.97 2key n PRO 4 N 1.27 1.61 -3.38 0.43 -0.02 -1.26 -4.77 135.00 128.89 2key n PRO 4 Ca -0.09 -2.00 -0.12 0.00 -2.02 0.00 0.00 63.50 59.27 2key n PRO 4 Cb 0.52 -3.06 -0.09 0.00 -0.02 0.00 0.00 33.50 30.85 2key n PRO 4 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2key s SER 5 N 5.11 0.73 0.00 2.55 0.15 -1.26 -4.92 113.70 116.07 2key s SER 5 Ca 0.58 -0.12 0.10 0.00 0.70 0.00 0.00 55.95 57.21 2key s SER 5 Cb 0.12 0.87 0.14 0.00 -1.71 0.00 0.00 66.02 65.44 2key s SER 5 CO 0.11 -0.33 0.94 -0.67 1.20 0.00 0.00 173.24 174.50 2key n ASP 6 N 5.34 2.15 -4.54 5.45 2.03 -1.26 -4.98 116.55 120.73 2key n ASP 6 Ca -0.03 -1.59 -0.40 0.00 0.52 0.00 0.00 54.79 53.29 2key n ASP 6 Cb 0.49 -0.06 -0.10 0.00 -0.72 0.00 0.00 41.12 40.73 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 -0.90 3.22 -0.06 -0.67 -0.12 -1.26 -4.85 117.98 113.33 2key s PHE 7 Ca 0.15 -0.09 0.14 0.00 -0.05 0.00 0.00 56.93 57.08 2key s PHE 7 Cb 0.09 -2.52 -0.20 0.00 -0.63 0.00 0.00 43.02 39.76 2key s PHE 7 CO 0.13 -0.35 0.21 1.63 -0.05 0.00 0.00 175.22 176.80 2key n LYS 8 N 5.19 0.97 -4.33 1.99 5.02 -1.26 -4.90 118.16 120.84 2key n LYS 8 Ca -0.12 -0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 55.91 2key n LYS 8 Cb 0.50 -1.35 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 2key n LYS 8 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2key s SER 9 N -4.07 1.49 0.29 4.39 0.01 -1.26 -4.77 113.70 109.77 2key s SER 9 Ca -0.06 -1.55 -0.01 0.00 1.31 0.00 0.00 55.95 55.64 2key s SER 9 Cb 0.07 0.38 0.45 0.00 0.21 0.00 0.00 66.02 67.13 2key s SER 9 CO 0.59 -0.88 1.93 2.19 0.41 0.00 0.00 173.24 177.48 2key h PHE 10 N 2.23 1.09 -0.95 2.43 -0.00 -1.89 -1.98 116.94 117.87 2key h PHE 10 Ca -0.34 0.03 0.09 0.00 -0.00 0.00 0.00 57.97 57.75 2key h PHE 10 Cb 1.25 -0.36 -0.07 0.00 -0.00 0.00 0.00 35.95 36.76 2key h PHE 10 CO 1.00 0.63 0.60 1.25 -0.00 0.00 0.00 178.31 181.79 2key h HIS 11 N 1.12 1.09 -0.11 6.09 6.17 -1.96 -1.51 115.15 126.04 2key h HIS 11 Ca 0.36 0.03 -0.18 0.00 0.71 0.00 0.00 60.37 61.29 2key h HIS 11 Cb 0.04 -0.35 0.01 0.00 2.52 0.00 0.00 27.41 29.62 2key h HIS 11 CO -0.00 0.50 -0.63 -0.44 0.71 0.00 0.00 177.93 178.07 2key h ASP 12 N 1.02 0.76 -0.53 3.26 3.32 -1.72 -2.11 116.42 120.42 2key h ASP 12 Ca 0.44 -0.65 -0.07 0.00 0.02 0.00 0.00 57.03 56.77 2key h ASP 12 Cb 0.31 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2key h ASP 12 CO -0.22 1.28 0.06 0.15 -1.72 0.00 0.00 179.24 178.79 2key h PHE 13 N 0.28 0.96 -0.99 4.55 3.04 -1.20 -1.84 116.94 121.74 2key h PHE 13 Ca -0.05 -0.15 0.00 0.00 3.98 0.00 0.00 57.97 61.76 2key h PHE 13 Cb 1.28 -0.26 -0.05 0.00 2.56 0.00 0.00 35.95 39.48 2key h PHE 13 CO 0.10 0.87 0.64 0.28 -2.02 0.00 0.00 178.31 178.18 2key h VAL 14 N 0.78 1.26 -0.74 1.41 2.07 -1.25 -2.42 116.25 117.35 2key h VAL 14 Ca 0.16 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 2key h VAL 14 Cb 0.45 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 2key h VAL 14 CO 0.02 0.26 0.29 0.00 0.02 0.00 0.00 177.57 178.15 2key h ALA 15 N 1.35 1.10 -0.80 1.67 0.00 -0.94 0.11 119.26 121.75 2key h ALA 15 Ca 0.36 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2key h ALA 15 Cb -0.13 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.31 2key h ALA 15 CO -0.07 0.64 0.49 1.03 0.00 0.00 0.00 179.25 181.33 2key h SER 16 N 1.08 0.77 0.03 0.00 0.87 -0.84 0.82 113.55 116.29 2key h SER 16 Ca 0.25 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.66 2key h SER 16 Cb 0.22 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2key h SER 16 CO -0.02 0.50 -0.64 0.22 -0.53 0.00 0.00 176.83 176.36 2key h TYR 17 N 0.90 0.59 0.00 2.24 3.20 -1.34 -3.31 116.97 119.25 2key h TYR 17 Ca 0.35 -0.34 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2key h TYR 17 Cb 0.15 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2key h TYR 17 CO -0.04 1.18 -0.20 1.98 -1.64 0.00 0.00 178.16 179.44 2key h MET 18 N -0.17 0.00 -0.36 1.82 4.05 -0.45 -1.53 114.93 118.29 2key h MET 18 Ca -0.09 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.40 2key h MET 18 Cb 1.38 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 32.10 2key h MET 18 CO 0.13 0.20 -0.33 0.87 0.23 0.00 0.00 176.91 178.00 2key h LYS 19 N 0.00 -0.27 0.00 0.39 1.57 -0.93 0.23 116.57 117.56 2key h LYS 19 Ca -0.00 0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.61 2key h LYS 19 Cb 0.38 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2key h LYS 19 CO 0.03 -0.18 -0.86 1.15 -0.57 0.00 0.00 179.45 179.02 2key h THR 20 N -0.28 1.53 0.00 -0.16 2.02 -1.64 -3.23 112.91 111.15 2key h THR 20 Ca 0.16 -2.71 0.00 0.00 0.77 0.00 0.00 66.41 64.63 2key h THR 20 Cb 0.54 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 2key h THR 20 CO -0.51 0.78 0.00 0.00 0.37 0.00 0.00 175.52 176.16 2key n TYR 21 N -3.62 0.51 0.29 3.16 9.36 -0.61 -2.99 117.16 123.27 2key n TYR 21 Ca -0.02 0.17 0.18 0.00 3.32 0.00 0.00 57.90 61.54 2key n TYR 21 Cb 0.80 -0.77 0.91 0.00 -0.63 0.00 0.00 39.34 39.65 2key n TYR 21 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2key h SER 22 N 0.00 0.00 0.05 2.98 4.64 -0.59 -0.71 113.55 119.92 2key h SER 22 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2key h SER 22 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2key h SER 22 CO 0.00 0.00 -0.04 0.03 -0.87 0.00 0.00 176.83 175.95 2key h ARG 23 N 0.00 0.00 -0.56 4.77 3.08 -1.78 -1.95 114.38 117.93 2key h ARG 23 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2key h ARG 23 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2key h ARG 23 CO 0.00 0.04 0.00 0.54 -1.07 0.00 0.00 179.97 179.48 2key n ARG 24 N -4.35 2.77 -4.46 0.04 1.74 -0.28 -4.90 116.66 107.23 2key n ARG 24 Ca -0.03 -2.39 -0.33 0.00 -0.77 0.00 0.00 57.85 54.32 2key n ARG 24 Cb 0.13 -1.44 -0.15 0.00 -1.02 0.00 0.00 32.46 29.98 2key n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2key s LEU 25 N -1.01 2.64 0.71 0.55 1.02 -0.73 -5.10 118.68 116.75 2key s LEU 25 Ca 0.38 -0.41 -0.16 0.00 0.02 0.00 0.00 54.13 53.96 2key s LEU 25 Cb 0.20 -1.61 0.03 0.00 0.02 0.00 0.00 46.19 44.82 2key s LEU 25 CO 0.26 0.09 1.24 -0.70 0.02 0.00 0.00 176.35 177.26 2key s GLU 26 N 0.81 2.23 0.32 1.70 -6.30 -1.26 -4.88 118.70 111.32 2key s GLU 26 Ca -0.04 1.88 0.02 0.00 -2.50 0.00 0.00 54.97 54.33 2key s GLU 26 Cb -0.15 -1.83 0.55 0.00 0.00 0.00 0.00 34.13 32.70 2key s GLU 26 CO 0.01 -1.80 1.91 0.82 0.02 0.00 0.00 175.26 176.22 2key h ILE 27 N -0.04 1.19 0.27 -3.70 1.08 -1.99 -2.62 117.51 111.70 2key h ILE 27 Ca -0.49 -0.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.38 2key h ILE 27 Cb 1.31 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 2key h ILE 27 CO 0.50 0.24 -0.29 1.23 -0.69 0.00 0.00 178.15 179.14 2key h GLY 28 N 0.88 -0.64 1.03 5.37 0.00 -1.98 0.25 103.07 107.97 2key h GLY 28 Ca 0.18 0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.79 2key h GLY 28 CO -0.02 -0.25 0.20 0.00 0.00 0.00 0.00 176.54 176.47 2key h THR 29 N -0.60 1.25 -0.57 4.70 1.03 -1.91 -0.37 112.91 116.44 2key h THR 29 Ca -0.01 -0.86 -0.02 0.00 -0.01 0.00 0.00 66.41 65.51 2key h THR 29 Cb 0.56 0.57 -0.03 0.00 -1.07 0.00 0.00 68.15 68.18 2key h THR 29 CO -0.07 0.33 0.28 0.15 -0.01 0.00 0.00 175.52 176.20 2key h PHE 30 N 0.95 0.83 -0.05 0.00 3.57 -1.30 -3.07 116.94 117.87 2key h PHE 30 Ca 0.21 -0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.51 2key h PHE 30 Cb 0.30 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2key h PHE 30 CO 0.02 0.63 -0.67 -0.09 -2.23 0.00 0.00 178.31 175.97 2key h ARG 31 N 0.78 0.23 -0.77 1.11 2.43 -0.17 -2.34 114.38 115.66 2key h ARG 31 Ca 0.20 -0.18 0.15 0.00 -0.81 0.00 0.00 59.98 59.33 2key h ARG 31 Cb 0.11 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.60 2key h ARG 31 CO -0.03 0.82 0.31 0.45 -1.51 0.00 0.00 179.97 180.01 2key h HIS 32 N 0.17 0.53 -0.00 2.20 3.86 -0.96 -2.46 115.15 118.48 2key h HIS 32 Ca -0.02 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2key h HIS 32 Cb 1.20 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.56 2key h HIS 32 CO 0.02 0.06 0.00 1.58 0.86 0.00 0.00 177.93 180.45 2key n HIS 33 N -5.00 0.01 0.05 2.45 -0.00 -1.23 -4.84 115.22 106.66 2key n HIS 33 Ca 0.15 -1.00 -0.02 0.00 -0.00 0.00 0.00 57.72 56.85 2key n HIS 33 Cb 0.43 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.99 30.26 2key n HIS 33 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2key h LYS 34 N 0.01 -0.13 -0.31 1.57 3.11 -0.91 -2.52 116.57 117.39 2key h LYS 34 Ca 0.00 0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.76 2key h LYS 34 Cb 1.00 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.25 2key h LYS 34 CO 0.00 -0.09 -0.20 0.77 -2.81 0.00 0.00 179.45 177.12 2key h SER 35 N -0.15 0.57 0.04 4.20 0.02 -1.87 -3.19 113.55 113.17 2key h SER 35 Ca -0.01 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.78 2key h SER 35 Cb 0.11 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 2key h SER 35 CO 0.02 0.78 -0.23 0.00 -1.14 0.00 0.00 176.83 176.26 2key h MET 37 N -0.38 0.82 0.03 0.00 -1.53 -1.43 0.16 114.93 112.59 2key h MET 37 Ca 0.05 -0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2key h MET 37 Cb 0.44 -0.19 0.00 0.00 -0.55 0.00 0.00 31.60 31.31 2key h MET 37 CO -0.18 0.54 -0.01 -0.09 0.14 0.00 0.00 176.91 177.31 2key h ARG 38 N 0.85 -0.04 -0.62 0.39 2.43 -1.52 -3.33 114.38 112.54 2key h ARG 38 Ca 0.46 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.62 2key h ARG 38 Cb 0.56 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 2key h ARG 38 CO -0.22 0.67 0.35 -0.22 -1.51 0.00 0.00 179.97 179.04 2key h LYS 39 N -0.87 0.85 0.00 0.20 3.11 -0.62 -2.33 116.57 116.91 2key h LYS 39 Ca -0.00 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 2key h LYS 39 Cb 0.72 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 2key h LYS 39 CO 0.01 0.62 0.00 0.35 -2.81 0.00 0.00 179.45 177.61 2key h PHE 40 N 0.86 0.00 -0.76 1.91 3.57 -0.80 -3.38 116.94 118.35 2key h PHE 40 Ca 0.22 0.00 -0.52 0.00 3.53 0.00 0.00 57.97 61.20 2key h PHE 40 Cb 0.01 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.68 2key h PHE 40 CO 0.00 0.00 1.60 0.21 -2.23 0.00 0.00 178.31 177.89 2key s LYS 41 N -3.69 3.31 0.00 1.11 2.20 -0.88 -4.66 119.74 117.13 2key s LYS 41 Ca 0.00 -1.44 0.25 0.00 -0.36 0.00 0.00 55.97 54.43 2key s LYS 41 Cb 0.10 -5.37 1.38 0.00 -1.51 0.00 0.00 37.83 32.42 2key s LYS 41 CO 0.45 -2.91 1.86 0.39 -0.36 0.00 0.00 175.35 174.77 2key n GLU 42 N 8.48 0.55 -1.60 4.03 -0.58 -1.26 -4.88 120.64 125.37 2key n GLU 42 Ca 0.44 0.03 -0.14 0.00 -0.42 0.00 0.00 57.16 57.07 2key n GLU 42 Cb 0.47 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.79 2key n GLU 42 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2key n TYR 43 N -1.16 -0.15 0.12 -0.32 9.36 -1.26 -4.88 117.16 118.87 2key n TYR 43 Ca 0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.37 2key n TYR 43 Cb 0.15 -2.61 0.30 0.00 -0.63 0.00 0.00 39.34 36.55 2key n TYR 43 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2key s GLU 45 N -4.35 0.19 -0.41 0.00 2.56 -1.26 -5.07 118.70 110.36 2key s GLU 45 Ca -0.04 0.23 0.11 0.00 0.00 0.00 0.00 54.97 55.26 2key s GLU 45 Cb 0.14 0.09 0.38 0.00 2.00 0.00 0.00 34.13 36.74 2key s GLU 45 CO 0.75 -0.03 0.86 0.41 -0.56 0.00 0.00 175.26 176.70 2key n GLY 46 N 3.02 3.82 3.73 -1.50 0.00 -1.26 -4.85 105.19 108.14 2key n GLY 46 Ca -0.13 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 2key n GLY 46 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2key s LEU 47 N -2.91 2.52 0.31 0.99 -0.00 -1.26 -4.80 118.68 113.53 2key s LEU 47 Ca 0.40 1.65 0.07 0.00 -0.00 0.00 0.00 54.13 56.24 2key s LEU 47 Cb 0.36 -4.15 -0.02 0.00 -0.00 0.00 0.00 46.19 42.38 2key s LEU 47 CO -0.08 -2.50 0.36 -1.10 -0.00 0.00 0.00 176.35 173.04 2key s GLN 48 N -4.89 3.03 0.47 1.48 -1.52 -1.26 -4.24 119.66 112.72 2key s GLN 48 Ca 0.63 -1.06 0.29 0.00 -1.95 0.00 0.00 55.36 53.26 2key s GLN 48 Cb -0.18 -2.70 0.93 0.00 -0.22 0.00 0.00 33.01 30.84 2key s GLN 48 CO 0.57 0.17 1.82 0.74 -0.25 0.00 0.00 175.29 178.34 2key h PHE 49 N 1.12 0.00 0.00 0.91 0.04 -1.96 -1.02 116.94 116.03 2key h PHE 49 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 2key h PHE 49 Cb 1.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.40 2key h PHE 49 CO 0.48 0.00 0.00 1.25 -0.60 0.00 0.00 178.31 179.44 2key h HIS 50 N 0.00 0.00 -0.00 -0.55 2.76 -1.97 -2.75 115.15 112.63 2key h HIS 50 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2key h HIS 50 Cb 0.70 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.66 2key h HIS 50 CO 0.00 0.00 -0.47 0.39 -1.30 0.00 0.00 177.93 176.55 2key n GLU 51 N -2.76 0.33 -2.27 5.26 1.02 -0.41 -4.75 120.64 117.06 2key n GLU 51 Ca 0.04 -0.21 -0.34 0.00 -0.02 0.00 0.00 57.16 56.63 2key n GLU 51 Cb 0.44 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.81 3.31 0.40 -4.62 1.98 -1.04 -4.71 118.68 111.19 2key s LEU 52 Ca 0.15 -0.93 0.03 0.00 -2.89 0.00 0.00 54.13 50.50 2key s LEU 52 Cb 0.18 -2.56 -0.04 0.00 0.66 0.00 0.00 46.19 44.43 2key s LEU 52 CO 0.65 -2.19 0.07 0.42 -1.89 0.00 0.00 176.35 173.42 2key s THR 53 N 7.79 1.00 0.24 3.68 -4.23 -1.26 -4.63 115.64 118.22 2key s THR 53 Ca 0.59 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 2key s THR 53 Cb -0.04 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.49 2key s THR 53 CO -0.03 0.00 1.76 -0.33 -0.54 0.00 0.00 174.62 175.49 2key h GLU 54 N 1.80 0.55 -0.23 3.99 3.07 -1.91 -0.70 114.58 121.15 2key h GLU 54 Ca -0.39 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.47 2key h GLU 54 Cb 1.27 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 29.02 2key h GLU 54 CO 0.66 0.37 0.03 0.22 -1.40 0.00 0.00 179.01 178.89 2key h ASP 55 N 0.57 -0.02 -0.26 1.42 3.58 -1.94 0.56 116.42 120.34 2key h ASP 55 Ca 0.39 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.87 2key h ASP 55 Cb 0.48 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2key h ASP 55 CO -0.32 0.02 0.13 0.15 -2.88 0.00 0.00 179.24 176.35 2key h PHE 56 N 0.12 0.36 -0.60 0.28 3.57 -1.62 -1.18 116.94 117.86 2key h PHE 56 Ca 0.11 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.63 2key h PHE 56 Cb 0.11 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 2key h PHE 56 CO -0.16 0.32 0.34 -0.07 -2.23 0.00 0.00 178.31 176.51 2key h LEU 57 N 0.29 0.52 -0.23 0.59 -0.00 -0.83 0.43 115.31 116.08 2key h LEU 57 Ca 0.09 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2key h LEU 57 Cb 0.09 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.66 2key h LEU 57 CO -0.01 0.35 0.09 -0.09 -0.00 0.00 0.00 178.44 178.78 2key h ARG 58 N 0.65 0.34 -0.18 1.13 1.12 -0.61 -0.90 114.38 115.93 2key h ARG 58 Ca 0.26 -0.06 -0.22 0.00 -1.11 0.00 0.00 59.98 58.85 2key h ARG 58 Cb 0.11 -0.06 0.01 0.00 -0.01 0.00 0.00 29.97 30.02 2key h ARG 58 CO -0.14 0.39 -0.74 0.22 -3.11 0.00 0.00 179.97 176.60 2key h ASP 59 N 0.22 0.96 0.14 -3.80 3.58 -0.93 -3.17 116.42 113.42 2key h ASP 59 Ca 0.08 -0.61 -0.09 0.00 0.42 0.00 0.00 57.03 56.83 2key h ASP 59 Cb 0.18 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2key h ASP 59 CO -0.01 1.41 -0.31 0.22 -2.88 0.00 0.00 179.24 177.68 2key h TYR 60 N 0.56 0.29 -0.14 0.28 3.20 -0.11 0.14 116.97 121.19 2key h TYR 60 Ca -0.04 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.81 2key h TYR 60 Cb 1.36 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 2key h TYR 60 CO 0.09 0.54 -0.12 1.25 -1.64 0.00 0.00 178.16 178.28 2key h LEU 61 N 0.23 -0.38 -0.11 2.82 5.85 -1.14 0.38 115.31 122.95 2key h LEU 61 Ca 0.03 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2key h LEU 61 Cb 0.66 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 2key h LEU 61 CO 0.05 -0.16 -0.02 0.40 -0.34 0.00 0.00 178.44 178.37 2key h ILE 62 N -0.14 1.28 -0.65 4.05 1.08 -1.41 -2.31 117.51 119.41 2key h ILE 62 Ca 0.09 -0.91 0.07 0.00 -0.39 0.00 0.00 64.86 63.73 2key h ILE 62 Cb 0.27 1.67 -0.06 0.00 -3.07 0.00 0.00 36.82 35.63 2key h ILE 62 CO -0.22 0.26 0.32 0.22 -0.69 0.00 0.00 178.15 178.04 2key h TYR 63 N -0.10 0.58 -0.10 1.37 3.20 -0.54 0.22 116.97 121.59 2key h TYR 63 Ca 0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2key h TYR 63 Cb 0.41 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 2key h TYR 63 CO 0.05 0.24 0.01 1.98 -1.64 0.00 0.00 178.16 178.79 2key h MET 64 N 0.58 0.18 0.00 1.82 4.05 -0.21 0.10 114.93 121.44 2key h MET 64 Ca 0.31 -0.05 -0.16 0.00 -0.28 0.00 0.00 59.70 59.52 2key h MET 64 Cb 0.27 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 2key h MET 64 CO -0.23 0.40 -0.75 1.57 0.23 0.00 0.00 176.91 178.14 2key h LYS 65 N -0.08 0.00 0.00 0.39 2.10 -1.13 -3.02 116.57 114.83 2key h LYS 65 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2key h LYS 65 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 2key h LYS 65 CO 0.00 0.75 -0.39 1.17 -2.00 0.00 0.00 179.45 178.98 2key n LYS 66 N -3.60 0.27 0.08 0.07 4.81 0.75 -0.45 118.16 120.11 2key n LYS 66 Ca -0.01 0.30 -0.05 0.00 -0.87 0.00 0.00 58.31 57.68 2key n LYS 66 Cb 0.74 -1.19 0.11 0.00 0.02 0.00 0.00 35.03 34.71 2key n LYS 66 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2key h THR 67 N -0.57 1.40 -0.02 3.15 2.02 -0.96 -2.72 112.91 115.20 2key h THR 67 Ca 0.00 -2.04 0.00 0.00 0.77 0.00 0.00 66.41 65.14 2key h THR 67 Cb 0.39 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 2key h THR 67 CO 0.00 0.60 -0.09 0.18 0.37 0.00 0.00 175.52 176.58 2key n LEU 68 N -3.85 2.26 -2.64 2.58 4.77 -0.86 -5.01 117.00 114.24 2key n LEU 68 Ca -0.02 -0.76 -0.04 0.00 -0.03 0.00 0.00 56.01 55.16 2key n LEU 68 Cb 0.64 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.72 2key n LEU 68 CO 0.45 0.38 -0.15 0.00 -1.33 0.00 0.00 177.39 176.74 2key s ASN 70 N -2.02 1.10 0.46 0.00 0.01 0.41 -4.95 114.94 109.94 2key s ASN 70 Ca 0.13 -1.55 0.06 0.00 -0.71 0.00 0.00 52.86 50.78 2key s ASN 70 Cb -0.04 0.64 -0.03 0.00 0.41 0.00 0.00 41.25 42.24 2key s ASN 70 CO 0.68 -1.26 0.18 0.00 -1.51 0.00 0.00 177.10 175.20 2key s ALA 71 N -3.11 3.83 0.12 0.60 0.00 -1.26 -4.58 121.76 117.36 2key s ALA 71 Ca 0.33 -1.61 -0.20 0.00 0.00 0.00 0.00 51.96 50.47 2key s ALA 71 Cb 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 23.12 22.72 2key s ALA 71 CO 0.22 -0.19 1.75 -0.44 0.00 0.00 0.00 175.76 177.10 2key h ASP 72 N 1.30 0.09 -0.12 0.00 3.32 -1.97 -0.52 116.42 118.51 2key h ASP 72 Ca -0.42 0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.66 2key h ASP 72 Cb 1.27 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 2key h ASP 72 CO 0.69 0.08 -0.01 -1.28 -1.72 0.00 0.00 179.24 177.00 2key h SER 73 N 0.15 -0.06 -0.44 6.45 0.87 -1.99 -0.20 113.55 118.33 2key h SER 73 Ca 0.07 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 2key h SER 73 Cb 0.03 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 2key h SER 73 CO -0.06 -0.01 0.17 0.74 -0.53 0.00 0.00 176.83 177.13 2key h THR 74 N 0.03 0.89 -0.27 2.23 2.02 -1.89 -1.20 112.91 114.72 2key h THR 74 Ca 0.06 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2key h THR 74 Cb 0.07 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2key h THR 74 CO -0.10 0.06 0.12 0.00 0.37 0.00 0.00 175.52 175.97 2key h ALA 75 N 1.27 0.35 -0.78 6.16 0.00 -0.71 -1.77 119.26 123.78 2key h ALA 75 Ca 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2key h ALA 75 Cb 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2key h ALA 75 CO -0.19 -0.08 0.32 1.96 0.00 0.00 0.00 179.25 181.26 2key h GLN 76 N 0.30 1.17 -0.30 0.00 1.08 -0.74 -1.04 115.11 115.58 2key h GLN 76 Ca 0.09 -0.21 -0.09 0.00 -1.45 0.00 0.00 58.65 56.99 2key h GLN 76 Cb 0.14 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 2key h GLN 76 CO -0.01 0.94 -0.20 0.00 -0.95 0.00 0.00 178.83 178.62 2key h ARG 77 N 1.14 0.54 0.10 1.46 3.08 -1.05 0.54 114.38 120.19 2key h ARG 77 Ca 0.26 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2key h ARG 77 Cb 0.21 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2key h ARG 77 CO -0.02 0.71 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.63 2key h ASN 78 N 0.49 -0.11 -0.02 7.04 2.35 -0.84 -3.24 115.58 121.24 2key h ASN 78 Ca 0.08 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 2key h ASN 78 Cb 0.61 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 2key h ASN 78 CO 0.04 0.08 -0.33 -0.07 -1.65 0.00 0.00 177.43 175.51 2key h LEU 79 N -0.31 0.50 -1.79 1.61 3.38 -0.95 -2.80 115.31 114.97 2key h LEU 79 Ca -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2key h LEU 79 Cb 0.26 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2key h LEU 79 CO 0.02 0.80 0.00 0.77 0.09 0.00 0.00 178.44 180.13 2key h SER 80 N 0.42 0.00 0.46 -0.43 4.64 -0.95 -0.66 113.55 117.03 2key h SER 80 Ca 0.05 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.17 2key h SER 80 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2key h SER 80 CO 0.06 0.00 -0.86 0.74 -0.87 0.00 0.00 176.83 175.90 2key h THR 81 N 0.00 1.45 -0.32 2.95 2.02 -1.52 -3.30 112.91 114.19 2key h THR 81 Ca 0.00 -2.47 -0.13 0.00 0.77 0.00 0.00 66.41 64.58 2key h THR 81 Cb 0.29 2.38 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 2key h THR 81 CO 0.00 0.73 -0.30 0.40 0.37 0.00 0.00 175.52 176.72 2key h ILE 82 N 0.17 1.29 -0.06 3.11 2.04 -1.20 -3.04 117.51 119.82 2key h ILE 82 Ca -0.05 -1.47 0.02 0.00 1.00 0.00 0.00 64.86 64.36 2key h ILE 82 Cb 1.47 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2key h ILE 82 CO 0.14 0.48 0.05 0.07 0.00 0.00 0.00 178.15 178.88 2key h LYS 83 N 0.54 0.00 -0.16 2.37 5.09 -1.56 0.11 116.57 122.97 2key h LYS 83 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.79 2key h LYS 83 Cb 0.88 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.20 2key h LYS 83 CO 0.08 0.00 0.10 0.82 -2.09 0.00 0.00 179.45 178.36 2key h ILE 84 N 0.00 1.04 -0.16 0.07 2.04 -1.61 0.54 117.51 119.44 2key h ILE 84 Ca 0.03 -0.08 -0.22 0.00 1.00 0.00 0.00 64.86 65.58 2key h ILE 84 Cb 0.12 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2key h ILE 84 CO -0.00 0.04 -0.77 0.22 0.00 0.00 0.00 178.15 177.65 2key h TYR 85 N 0.21 1.07 -0.58 1.37 3.20 -1.36 -2.02 116.97 118.87 2key h TYR 85 Ca 0.06 -0.47 0.05 0.00 3.14 0.00 0.00 58.73 61.51 2key h TYR 85 Cb -0.02 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.03 2key h TYR 85 CO -0.07 1.30 0.30 0.28 -1.64 0.00 0.00 178.16 178.33 2key h VAL 86 N 0.55 0.95 -0.53 1.81 2.07 -0.62 0.70 116.25 121.18 2key h VAL 86 Ca -0.05 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2key h VAL 86 Cb 1.39 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2key h VAL 86 CO 0.16 0.10 0.21 0.28 0.02 0.00 0.00 177.57 178.34 2key h SER 87 N 0.56 0.69 0.71 0.57 0.02 0.11 -2.01 113.55 114.22 2key h SER 87 Ca 0.26 -0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 60.96 2key h SER 87 Cb 0.17 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2key h SER 87 CO -0.18 0.63 -0.79 0.00 -1.14 0.00 0.00 176.83 175.35 2key h ALA 88 N 1.48 0.69 0.00 3.77 0.00 -0.46 -3.14 119.26 121.60 2key h ALA 88 Ca 0.18 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2key h ALA 88 Cb 0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2key h ALA 88 CO -0.02 0.94 -0.10 0.00 0.00 0.00 0.00 179.25 180.08 2key h ALA 89 N 1.17 1.13 -0.00 0.00 0.00 0.11 -0.30 119.26 121.38 2key h ALA 89 Ca -0.02 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2key h ALA 89 Cb 1.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2key h ALA 89 CO 0.11 0.12 -0.79 0.82 0.00 0.00 0.00 179.25 179.51 2key h ILE 90 N 0.00 1.55 0.07 0.00 2.04 -1.40 0.80 117.51 120.56 2key h ILE 90 Ca -0.00 -2.64 -0.15 0.00 1.00 0.00 0.00 64.86 63.07 2key h ILE 90 Cb 0.41 2.43 0.02 0.00 -0.74 0.00 0.00 36.82 38.93 2key h ILE 90 CO 0.01 0.76 -0.63 0.11 0.00 0.00 0.00 178.15 178.41 2key h LYS 91 N 0.02 0.30 -0.66 2.37 1.79 -1.16 -3.42 116.57 115.80 2key h LYS 91 Ca -0.01 -0.41 -0.33 0.00 -2.18 0.00 0.00 60.65 57.71 2key h LYS 91 Cb 1.39 0.14 -0.23 0.00 -1.58 0.00 0.00 32.23 31.95 2key h LYS 91 CO 0.11 1.15 -0.69 0.36 -1.08 0.00 0.00 179.45 179.29 2key n LYS 92 N -4.23 0.84 0.00 3.15 2.85 -0.48 -5.05 118.16 115.24 2key n LYS 92 Ca -0.12 -2.28 0.00 0.00 -1.05 0.00 0.00 58.31 54.85 2key n LYS 92 Cb 0.72 -1.34 0.00 0.00 -0.65 0.00 0.00 35.03 33.76 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 1.15 0.12 0.00 2.58 0.00 0.07 -4.77 105.19 104.34 2key n GLY 93 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.39 1.61 9.36 -0.03 -5.01 117.16 120.70 2key n TYR 94 Ca 0.00 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.90 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 -0.76 3.85 0.00 2.98 -1.94 -1.14 -4.98 119.30 117.32 2key s MET 95 Ca 0.00 1.05 0.00 0.00 -1.71 0.00 0.00 55.69 55.03 2key s MET 95 Cb 0.00 -2.12 0.00 0.00 2.01 0.00 0.00 34.83 34.72 2key s MET 95 CO 0.00 -0.35 0.00 -1.91 -0.01 0.00 0.00 175.02 172.75 2key n GLU 96 N -1.52 0.00 -4.38 2.03 2.13 -1.26 -3.65 120.64 114.00 2key n GLU 96 Ca 0.07 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.56 2key n GLU 96 Cb 0.54 -0.84 -0.16 0.00 0.27 0.00 0.00 31.44 31.25 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 -4.10 3.41 0.43 4.31 0.01 -1.26 -4.95 114.94 112.79 2key s ASN 97 Ca 0.00 -0.55 -0.22 0.00 -0.71 0.00 0.00 52.86 51.38 2key s ASN 97 Cb 0.00 -1.52 -0.10 0.00 0.41 0.00 0.00 41.25 40.03 2key s ASN 97 CO 0.00 0.05 0.97 1.51 -1.51 0.00 0.00 177.10 178.12 2key s ASP 98 N 1.03 6.87 0.61 -1.22 -4.77 -1.26 -4.94 116.67 112.99 2key s ASP 98 Ca -0.01 1.77 0.38 0.00 -3.30 0.00 0.00 52.55 51.39 2key s ASP 98 Cb -0.15 -2.55 2.01 0.00 -1.09 0.00 0.00 42.92 41.14 2key s ASP 98 CO -0.05 -0.41 2.24 1.55 0.70 0.00 0.00 175.17 179.20 2key h PRO 99 N 2.02 0.00 -0.00 2.11 0.13 -1.90 -1.63 132.00 132.73 2key h PRO 99 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2key h PRO 99 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2key h PRO 99 CO 0.61 0.02 -0.01 1.19 -0.23 0.00 0.00 178.00 179.58 2key n PHE 100 N -3.24 0.00 0.04 1.56 3.01 -1.26 -2.94 117.46 114.63 2key n PHE 100 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.33 2key n PHE 100 Cb 0.15 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.55 2key n PHE 100 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2key h LYS 101 N 0.75 -0.14 0.00 -1.08 3.11 -1.68 -3.26 116.57 114.27 2key h LYS 101 Ca 0.00 0.01 -0.16 0.00 -2.81 0.00 0.00 60.65 57.69 2key h LYS 101 Cb 0.18 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.41 2key h LYS 101 CO 0.00 -0.09 -2.05 -3.47 -2.81 0.00 0.00 179.45 171.03 2key n ASP 102 N -5.22 0.13 -4.36 4.20 2.03 -1.24 -4.72 116.55 107.37 2key n ASP 102 Ca -0.05 0.06 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 2key n ASP 102 Cb 0.14 1.34 -0.02 0.00 -0.72 0.00 0.00 41.12 41.87 2key n ASP 102 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2key n PHE 103 N -2.54 3.85 0.00 -0.67 7.35 -1.15 -4.55 117.46 119.75 2key n PHE 103 Ca -0.16 -2.49 0.00 0.00 -0.76 0.00 0.00 57.45 54.04 2key n PHE 103 Cb 0.83 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 38.11 2key n PHE 103 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2key n GLY 104 N 5.20 -0.57 3.00 7.13 0.00 -1.26 -4.75 105.19 113.93 2key n GLY 104 Ca 0.49 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 46.49 2key n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2key n LEU 105 N 0.00 -6.62 -2.26 0.99 4.77 -1.26 -4.91 117.00 107.71 2key n LEU 105 Ca 0.00 0.45 -0.31 0.00 -0.03 0.00 0.00 56.01 56.11 2key n LEU 105 Cb 0.00 -2.95 0.09 0.00 -2.33 0.00 0.00 43.42 38.23 2key n LEU 105 CO 0.00 -1.88 1.40 -1.84 -1.33 0.00 0.00 177.39 173.74 2key n GLU 106 N -0.15 2.52 -3.87 3.23 -0.00 -1.26 -4.92 120.64 116.19 2key n GLU 106 Ca 0.06 -3.05 -0.09 0.00 -0.00 0.00 0.00 57.16 54.08 2key n GLU 106 Cb 0.48 -2.20 -0.07 0.00 -0.00 0.00 0.00 31.44 29.65 2key n GLU 106 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2key s HIS 107 N -3.52 0.19 -0.12 -1.84 3.76 -1.26 -5.07 115.29 107.44 2key s HIS 107 Ca 0.60 -0.61 -0.06 0.00 -0.15 0.00 0.00 55.06 54.84 2key s HIS 107 Cb 0.47 -0.05 0.02 0.00 1.11 0.00 0.00 32.58 34.13 2key s HIS 107 CO 0.01 -0.58 0.11 1.58 -0.85 0.00 0.00 174.74 175.01 2key n HIS 108 N -0.09 -2.42 -2.79 1.40 -0.00 -1.26 -5.04 115.22 105.02 2key n HIS 108 Ca -0.14 1.35 -0.11 0.00 -0.00 0.00 0.00 57.72 58.83 2key n HIS 108 Cb 0.63 -2.84 0.03 0.00 -0.00 0.00 0.00 29.99 27.80 2key n HIS 108 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2key n HIS 109 N 0.83 0.36 -3.37 1.57 1.44 -1.26 -4.96 115.22 109.83 2key n HIS 109 Ca -0.19 -2.91 -0.27 0.00 -2.01 0.00 0.00 57.72 52.34 2key n HIS 109 Cb 0.30 -0.09 -0.08 0.00 0.12 0.00 0.00 29.99 30.24 2key n HIS 109 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2key n HIS 110 N -0.02 3.65 -3.10 -1.40 8.25 -1.26 -5.02 115.22 116.31 2key n HIS 110 Ca 0.11 -4.13 -0.45 0.00 -0.26 0.00 0.00 57.72 52.99 2key n HIS 110 Cb 0.78 -0.55 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 2key n HIS 110 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2key s HIS 111 N -2.58 3.03 -2.69 4.41 2.46 -1.26 -5.35 115.29 113.32 2key s HIS 111 Ca 0.41 -1.02 0.26 0.00 0.47 0.00 0.00 55.06 55.18 2key s HIS 111 Cb 0.16 -4.03 0.73 0.00 -0.13 0.00 0.00 32.58 29.31 2key s HIS 111 CO -0.03 -1.31 1.56 1.58 -2.47 0.00 0.00 174.74 174.08