#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 6.75 -0.43 6.12 2.47 -1.26 -5.06 114.94 123.53 2key s ASN 2 Ca 0.00 0.92 0.02 0.00 0.42 0.00 0.00 52.86 54.22 2key s ASN 2 Cb 0.00 -2.23 0.15 0.00 -1.45 0.00 0.00 41.25 37.72 2key s ASN 2 CO 0.00 0.22 0.27 0.21 -3.72 0.00 0.00 177.10 174.08 2key s ASN 3 N -1.49 3.01 -1.24 -4.21 2.47 -1.26 -5.05 114.94 107.17 2key s ASN 3 Ca 0.30 -2.68 -0.18 0.00 0.42 0.00 0.00 52.86 50.72 2key s ASN 3 Cb -0.15 -0.73 0.09 0.00 -1.45 0.00 0.00 41.25 39.00 2key s ASN 3 CO 0.17 -0.24 1.63 -2.16 -3.72 0.00 0.00 177.10 172.77 2key s PRO 4 N 0.38 3.95 -1.06 0.43 0.04 -1.26 -4.91 135.00 132.57 2key s PRO 4 Ca 0.22 -2.01 -0.18 0.00 0.04 0.00 0.00 61.00 59.06 2key s PRO 4 Cb -0.16 -5.41 -0.08 0.00 0.04 0.00 0.00 34.50 28.90 2key s PRO 4 CO -0.06 -2.14 2.06 0.43 0.04 0.00 0.00 177.00 177.34 2key n SER 5 N 7.85 3.15 -0.25 6.66 7.64 -1.26 -3.96 113.62 133.45 2key n SER 5 Ca 0.44 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.58 2key n SER 5 Cb 0.46 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2key n SER 5 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2key n ASP 6 N 6.83 0.10 -4.77 6.43 8.00 -1.26 -5.10 116.55 126.78 2key n ASP 6 Ca 0.51 -1.57 -0.40 0.00 0.71 0.00 0.00 54.79 54.04 2key n ASP 6 Cb 0.39 -0.11 -0.01 0.00 -0.02 0.00 0.00 41.12 41.37 2key n ASP 6 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2key s PHE 7 N -0.09 2.86 0.09 1.24 0.08 -1.25 -4.93 117.98 115.97 2key s PHE 7 Ca 0.01 1.36 0.12 0.00 0.12 0.00 0.00 56.93 58.54 2key s PHE 7 Cb 0.01 -3.75 0.17 0.00 -0.57 0.00 0.00 43.02 38.87 2key s PHE 7 CO 0.00 -2.19 1.49 1.57 -0.10 0.00 0.00 175.22 175.98 2key h LYS 8 N 3.02 0.00 -5.68 0.44 2.10 -1.98 -3.44 116.57 111.03 2key h LYS 8 Ca -0.50 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.48 2key h LYS 8 Cb 1.24 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.49 2key h LYS 8 CO 0.64 0.66 -0.49 -1.12 -2.00 0.00 0.00 179.45 177.14 2key s SER 9 N -6.61 6.29 0.21 7.07 0.01 -1.26 -4.57 113.70 114.84 2key s SER 9 Ca 0.01 0.44 -0.10 0.00 1.31 0.00 0.00 55.95 57.61 2key s SER 9 Cb 0.10 -2.01 0.19 0.00 0.21 0.00 0.00 66.02 64.50 2key s SER 9 CO 0.76 0.40 1.85 2.19 0.41 0.00 0.00 173.24 178.85 2key h PHE 10 N 4.94 0.84 0.00 2.43 -0.00 -1.88 -0.92 116.94 122.35 2key h PHE 10 Ca -0.54 0.02 -0.03 0.00 -0.00 0.00 0.00 57.97 57.42 2key h PHE 10 Cb 1.22 -0.28 -0.00 0.00 -0.00 0.00 0.00 35.95 36.89 2key h PHE 10 CO 0.74 0.49 -0.16 1.12 -0.00 0.00 0.00 178.31 180.50 2key h HIS 11 N 0.88 0.00 0.11 6.09 2.07 -1.94 -0.30 115.15 122.06 2key h HIS 11 Ca 0.28 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.62 2key h HIS 11 Cb 0.01 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.00 2key h HIS 11 CO -0.04 0.16 -0.76 -0.44 -3.07 0.00 0.00 177.93 173.78 2key h ASP 12 N 0.00 0.48 -0.23 3.10 3.32 -1.71 -2.41 116.42 118.96 2key h ASP 12 Ca -0.00 -0.91 -0.01 0.00 0.02 0.00 0.00 57.03 56.12 2key h ASP 12 Cb 0.37 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2key h ASP 12 CO 0.02 1.35 0.09 0.15 -1.72 0.00 0.00 179.24 179.14 2key h PHE 13 N -0.32 0.35 -0.44 4.55 3.57 -0.84 -2.44 116.94 121.37 2key h PHE 13 Ca -0.13 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 2key h PHE 13 Cb 1.57 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.18 2key h PHE 13 CO 0.19 0.38 0.19 0.28 -2.23 0.00 0.00 178.31 177.12 2key h VAL 14 N 0.22 1.20 -0.50 1.41 2.07 -1.17 -1.97 116.25 117.50 2key h VAL 14 Ca 0.08 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.01 2key h VAL 14 Cb 0.18 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2key h VAL 14 CO -0.01 0.22 0.33 0.00 0.02 0.00 0.00 177.57 178.14 2key h ALA 15 N 1.03 0.64 -0.25 1.67 0.00 -1.34 0.16 119.26 121.17 2key h ALA 15 Ca 0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2key h ALA 15 Cb 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2key h ALA 15 CO -0.01 0.08 -0.11 1.03 0.00 0.00 0.00 179.25 180.24 2key h SER 16 N 0.68 0.53 -0.36 0.00 0.87 -1.34 -2.88 113.55 111.05 2key h SER 16 Ca 0.19 -0.40 -0.15 0.00 -1.23 0.00 0.00 61.79 60.20 2key h SER 16 Cb -0.07 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 2key h SER 16 CO -0.04 0.81 -0.36 0.22 -0.53 0.00 0.00 176.83 176.93 2key h TYR 17 N 0.25 1.07 0.00 2.24 3.20 -1.16 -3.05 116.97 119.53 2key h TYR 17 Ca 0.06 -0.31 -0.05 0.00 3.14 0.00 0.00 58.73 61.57 2key h TYR 17 Cb 0.60 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2key h TYR 17 CO 0.06 1.12 -0.22 1.98 -1.64 0.00 0.00 178.16 179.46 2key h MET 18 N 0.74 0.00 -0.82 1.82 4.05 -0.68 0.95 114.93 121.00 2key h MET 18 Ca 0.07 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.63 2key h MET 18 Cb 0.94 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.68 2key h MET 18 CO 0.09 0.22 0.54 0.87 0.23 0.00 0.00 176.91 178.85 2key h LYS 19 N 0.00 0.55 0.00 0.39 1.57 -1.39 -0.11 116.57 117.59 2key h LYS 19 Ca -0.00 -0.03 -0.34 0.00 -1.87 0.00 0.00 60.65 58.41 2key h LYS 19 Cb 0.41 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 2key h LYS 19 CO 0.03 0.37 -2.08 2.41 -0.57 0.00 0.00 179.45 179.60 2key n THR 20 N -4.52 1.50 0.23 -0.16 -1.04 -0.61 -4.24 114.28 105.44 2key n THR 20 Ca 0.15 -0.82 0.06 0.00 -2.04 0.00 0.00 64.05 61.41 2key n THR 20 Cb 0.48 -0.78 0.53 0.00 -1.82 0.00 0.00 70.33 68.74 2key n THR 20 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 2key h TYR 21 N 0.00 0.02 0.00 -1.42 3.20 -0.25 -1.90 116.97 116.61 2key h TYR 21 Ca -0.43 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2key h TYR 21 Cb 2.13 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.39 2key h TYR 21 CO 0.00 0.14 0.00 -1.13 -1.64 0.00 0.00 178.16 175.53 2key n SER 22 N -4.38 0.10 0.26 -2.11 3.41 -0.11 -1.44 113.62 109.35 2key n SER 22 Ca -0.02 0.53 0.17 0.00 -0.26 0.00 0.00 58.87 59.28 2key n SER 22 Cb 0.20 -0.55 0.68 0.00 -0.26 0.00 0.00 64.21 64.29 2key n SER 22 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2key h ARG 23 N 0.00 0.00 -0.04 4.33 2.47 -1.58 -2.88 114.38 116.68 2key h ARG 23 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2key h ARG 23 Cb 0.22 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 2key h ARG 23 CO 0.00 0.00 -0.53 0.54 0.56 0.00 0.00 179.97 180.54 2key n ARG 24 N -2.95 1.66 -3.87 0.04 1.74 -0.52 -5.00 116.66 107.75 2key n ARG 24 Ca 0.01 -3.32 -0.12 0.00 -0.77 0.00 0.00 57.85 53.65 2key n ARG 24 Cb 0.28 -1.62 -0.13 0.00 -1.02 0.00 0.00 32.46 29.98 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 -3.19 1.80 0.53 0.55 2.96 -1.09 -5.12 118.68 115.12 2key s LEU 25 Ca 0.39 0.00 -0.21 0.00 -0.22 0.00 0.00 54.13 54.08 2key s LEU 25 Cb 0.37 0.25 -0.05 0.00 0.50 0.00 0.00 46.19 47.26 2key s LEU 25 CO -0.07 -0.10 1.26 -1.61 -1.32 0.00 0.00 176.35 174.51 2key s GLU 26 N -0.34 3.30 0.30 1.98 2.02 -1.26 -4.89 118.70 119.82 2key s GLU 26 Ca -0.04 1.99 0.03 0.00 0.02 0.00 0.00 54.97 56.96 2key s GLU 26 Cb -0.03 -2.23 0.49 0.00 0.10 0.00 0.00 34.13 32.47 2key s GLU 26 CO 0.00 -0.98 1.80 0.82 0.02 0.00 0.00 175.26 176.92 2key h ILE 27 N 1.45 1.23 0.54 -1.63 2.04 -1.98 -0.53 117.51 118.63 2key h ILE 27 Ca -0.50 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 2key h ILE 27 Cb 1.28 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.46 2key h ILE 27 CO 0.58 0.33 -0.30 1.23 0.00 0.00 0.00 178.15 179.99 2key h GLY 28 N 0.92 -0.82 0.95 5.37 0.00 -1.99 0.39 103.07 107.89 2key h GLY 28 Ca 0.09 0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.69 2key h GLY 28 CO 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 176.54 176.26 2key h THR 29 N -0.78 1.26 -0.16 4.70 1.03 -1.94 -2.01 112.91 115.01 2key h THR 29 Ca -0.07 -1.02 0.05 0.00 -0.01 0.00 0.00 66.41 65.36 2key h THR 29 Cb 0.62 1.14 -0.06 0.00 -1.07 0.00 0.00 68.15 68.78 2key h THR 29 CO 0.09 0.35 -0.24 0.15 -0.01 0.00 0.00 175.52 175.85 2key h PHE 30 N 0.53 -0.64 -0.45 0.00 3.57 -0.99 -2.30 116.94 116.66 2key h PHE 30 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2key h PHE 30 Cb 0.49 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 2key h PHE 30 CO 0.04 -0.32 0.22 -0.09 -2.23 0.00 0.00 178.31 175.93 2key h ARG 31 N -0.29 0.62 -0.18 1.11 2.43 -0.13 -0.30 114.38 117.63 2key h ARG 31 Ca 0.11 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 2key h ARG 31 Cb 0.46 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2key h ARG 31 CO -0.33 0.48 -0.15 1.25 -1.51 0.00 0.00 179.97 179.72 2key h HIS 32 N 0.62 0.31 -0.49 2.20 2.76 -0.79 -2.77 115.15 116.99 2key h HIS 32 Ca 0.16 -0.04 -0.36 0.00 -2.20 0.00 0.00 60.37 57.93 2key h HIS 32 Cb 0.06 -0.08 -0.32 0.00 1.55 0.00 0.00 27.41 28.62 2key h HIS 32 CO 0.00 0.43 -0.78 -2.39 -1.30 0.00 0.00 177.93 173.89 2key n HIS 33 N -4.24 1.76 -0.08 5.26 1.44 -0.95 -4.81 115.22 113.60 2key n HIS 33 Ca -0.00 -1.95 -0.12 0.00 -2.01 0.00 0.00 57.72 53.63 2key n HIS 33 Cb 0.29 -0.30 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 2key n HIS 33 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 2key h LYS 34 N 1.87 0.00 0.00 -1.40 3.64 -0.76 -3.44 116.57 116.49 2key h LYS 34 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2key h LYS 34 Cb 1.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2key h LYS 34 CO 0.47 0.60 0.00 0.43 -2.27 0.00 0.00 179.45 178.69 2key n SER 35 N -4.57 0.00 0.00 4.20 7.64 -1.26 -4.71 113.62 114.92 2key n SER 35 Ca -0.16 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2key n SER 35 Cb 0.43 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2key n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2key h MET 37 N 0.00 0.00 0.00 0.00 2.86 -1.95 -1.41 114.93 114.43 2key h MET 37 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2key h MET 37 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 2key h MET 37 CO 0.00 0.19 -0.12 0.00 1.06 0.00 0.00 176.91 178.04 2key h ARG 38 N 0.00 0.00 0.03 1.72 -0.00 -1.23 -2.04 114.38 112.87 2key h ARG 38 Ca -0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.98 59.20 2key h ARG 38 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.29 2key h ARG 38 CO 0.02 0.12 -1.52 -0.22 0.00 0.00 0.00 179.97 178.37 2key h LYS 39 N 0.00 0.07 0.00 0.04 3.11 -1.46 -3.30 116.57 115.02 2key h LYS 39 Ca -0.00 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 57.73 2key h LYS 39 Cb 0.29 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.56 2key h LYS 39 CO 0.02 0.78 0.00 0.34 -2.81 0.00 0.00 179.45 177.78 2key n PHE 40 N -3.23 0.00 -1.71 1.91 7.35 -0.80 -4.93 117.46 116.06 2key n PHE 40 Ca -0.14 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.54 2key n PHE 40 Cb 1.02 -0.42 -0.01 0.00 0.35 0.00 0.00 39.48 40.42 2key n PHE 40 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2key n LYS 41 N -1.42 -1.16 -0.86 -4.13 4.81 -1.01 -5.06 118.16 109.34 2key n LYS 41 Ca 0.06 1.24 -0.21 0.00 -0.87 0.00 0.00 58.31 58.53 2key n LYS 41 Cb 0.19 -1.94 0.17 0.00 0.02 0.00 0.00 35.03 33.47 2key n LYS 41 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2key n GLU 42 N 0.42 -2.19 -2.56 1.64 1.02 -1.25 -4.76 120.64 112.97 2key n GLU 42 Ca -0.09 -1.28 -0.01 0.00 -0.02 0.00 0.00 57.16 55.76 2key n GLU 42 Cb 0.14 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2key n GLU 42 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2key n TYR 43 N -3.99 -3.35 -2.62 -0.32 4.01 -1.26 -5.08 117.16 104.55 2key n TYR 43 Ca 0.11 1.46 0.00 0.00 -0.16 0.00 0.00 57.90 59.31 2key n TYR 43 Cb 0.41 -3.67 0.00 0.00 -0.31 0.00 0.00 39.34 35.77 2key n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2key n GLU 45 N 0.00 2.17 -2.27 0.00 4.71 -1.26 -4.85 120.64 119.14 2key n GLU 45 Ca 0.00 0.79 -0.41 0.00 -0.01 0.00 0.00 57.16 57.53 2key n GLU 45 Cb 0.00 -2.63 -0.01 0.00 -1.01 0.00 0.00 31.44 27.79 2key n GLU 45 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2key n GLY 46 N 4.35 2.79 3.69 0.62 0.00 -1.26 -4.88 105.19 110.50 2key n GLY 46 Ca 0.22 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 2key n GLY 46 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2key n LEU 47 N 8.60 4.08 -4.78 0.99 7.94 -1.26 -4.80 117.00 127.78 2key n LEU 47 Ca 0.49 0.99 -0.29 0.00 -1.11 0.00 0.00 56.01 56.09 2key n LEU 47 Cb 0.44 -1.55 0.14 0.00 0.53 0.00 0.00 43.42 42.98 2key n LEU 47 CO 0.80 0.19 0.71 -1.10 -1.11 0.00 0.00 177.39 176.88 2key s GLN 48 N 2.62 1.15 0.04 1.96 -1.52 -1.26 -4.22 119.66 118.42 2key s GLN 48 Ca 0.81 0.35 -0.23 0.00 -1.95 0.00 0.00 55.36 54.34 2key s GLN 48 Cb -0.48 -1.83 -0.16 0.00 -0.22 0.00 0.00 33.01 30.32 2key s GLN 48 CO 0.37 -2.21 1.47 0.74 -0.25 0.00 0.00 175.29 175.41 2key h PHE 49 N -1.51 0.11 0.00 0.91 -1.00 -1.93 -2.91 116.94 110.62 2key h PHE 49 Ca -0.51 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.25 2key h PHE 49 Cb 1.33 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.86 2key h PHE 49 CO 0.31 0.36 0.00 1.58 -1.61 0.00 0.00 178.31 178.95 2key n HIS 50 N -4.88 0.24 0.86 -0.55 -0.00 -1.26 -2.16 115.22 107.48 2key n HIS 50 Ca -0.07 0.09 0.13 0.00 0.46 0.00 0.00 57.72 58.33 2key n HIS 50 Cb 0.18 -0.64 0.49 0.00 -0.12 0.00 0.00 29.99 29.90 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 -1.71 0.10 -2.51 1.57 -0.58 -1.10 -4.64 120.64 111.77 2key n GLU 51 Ca 0.04 0.07 -0.41 0.00 -0.42 0.00 0.00 57.16 56.45 2key n GLU 51 Cb 0.25 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 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 -3.55 3.23 0.00 -4.62 1.98 -0.92 -4.90 118.68 109.91 2key s LEU 52 Ca 0.12 -0.58 0.03 0.00 -2.89 0.00 0.00 54.13 50.81 2key s LEU 52 Cb 0.16 -2.56 0.03 0.00 0.66 0.00 0.00 46.19 44.48 2key s LEU 52 CO 0.58 -1.83 0.25 0.35 -1.89 0.00 0.00 176.35 173.81 2key n THR 53 N 6.55 0.00 -0.10 3.68 -2.24 -1.26 -4.48 114.28 116.43 2key n THR 53 Ca 0.10 -2.06 -0.09 0.00 -2.27 0.00 0.00 64.05 59.74 2key n THR 53 Cb 0.50 0.10 0.07 0.00 -2.10 0.00 0.00 70.33 68.90 2key n THR 53 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2key h GLU 54 N 0.00 0.83 -0.91 -0.78 4.81 -1.88 -2.65 114.58 114.00 2key h GLU 54 Ca -0.34 -0.34 0.06 0.00 -0.13 0.00 0.00 59.36 58.61 2key h GLU 54 Cb 1.16 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 2key h GLU 54 CO 0.55 0.97 0.57 0.22 -0.73 0.00 0.00 179.01 180.59 2key h ASP 55 N 0.72 0.91 0.15 1.04 3.58 -1.96 0.19 116.42 121.06 2key h ASP 55 Ca 0.10 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 2key h ASP 55 Cb 0.75 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 2key h ASP 55 CO 0.06 0.58 -0.08 0.15 -2.88 0.00 0.00 179.24 177.06 2key h PHE 56 N 1.04 -0.22 -0.01 0.28 3.57 -1.84 -0.58 116.94 119.18 2key h PHE 56 Ca 0.39 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.91 2key h PHE 56 Cb 0.17 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2key h PHE 56 CO -0.02 -0.13 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.75 2key h LEU 57 N -0.22 -0.29 -0.00 0.59 -0.00 -1.04 0.77 115.31 115.11 2key h LEU 57 Ca -0.02 0.05 0.01 0.00 -0.00 0.00 0.00 57.88 57.91 2key h LEU 57 Cb 0.18 0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 2key h LEU 57 CO 0.02 -0.15 -0.03 -0.09 -0.00 0.00 0.00 178.44 178.20 2key h ARG 58 N -0.17 -0.05 -0.42 1.13 1.12 -0.54 0.17 114.38 115.62 2key h ARG 58 Ca 0.04 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.79 2key h ARG 58 Cb 0.22 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.18 2key h ARG 58 CO -0.11 -0.03 -0.23 0.22 -3.11 0.00 0.00 179.97 176.71 2key h ASP 59 N -0.05 0.93 0.17 -3.80 3.58 -1.01 -2.12 116.42 114.13 2key h ASP 59 Ca 0.01 -0.41 -0.14 0.00 0.42 0.00 0.00 57.03 56.91 2key h ASP 59 Cb 0.07 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 2key h ASP 59 CO -0.03 1.14 -0.51 0.22 -2.88 0.00 0.00 179.24 177.18 2key h TYR 60 N 0.72 0.47 0.03 0.28 3.20 -0.69 -1.18 116.97 119.80 2key h TYR 60 Ca 0.09 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 2key h TYR 60 Cb 0.80 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2key h TYR 60 CO 0.06 0.81 -0.02 1.25 -1.64 0.00 0.00 178.16 178.62 2key h LEU 61 N 0.30 -0.04 -0.45 2.82 5.85 -0.53 0.85 115.31 124.11 2key h LEU 61 Ca 0.01 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.62 2key h LEU 61 Cb 0.99 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 2key h LEU 61 CO 0.09 0.13 0.23 0.40 -0.34 0.00 0.00 178.44 178.95 2key h ILE 62 N -0.20 0.98 -0.82 4.05 1.08 -1.24 0.48 117.51 121.83 2key h ILE 62 Ca -0.00 -0.16 0.04 0.00 -0.39 0.00 0.00 64.86 64.34 2key h ILE 62 Cb 0.19 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 34.36 2key h ILE 62 CO 0.01 0.08 0.52 0.22 -0.69 0.00 0.00 178.15 178.29 2key h TYR 63 N 0.47 0.98 -0.31 1.37 3.20 -1.10 0.47 116.97 122.04 2key h TYR 63 Ca 0.20 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.95 2key h TYR 63 Cb 0.09 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 2key h TYR 63 CO -0.10 0.55 -0.35 1.98 -1.64 0.00 0.00 178.16 178.61 2key h MET 64 N 1.01 0.78 -0.36 1.82 4.05 -0.02 0.50 114.93 122.71 2key h MET 64 Ca 0.33 -0.43 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 2key h MET 64 Cb 0.03 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 2key h MET 64 CO -0.12 1.06 0.14 -0.22 0.23 0.00 0.00 176.91 177.99 2key h LYS 65 N 0.55 0.54 0.00 0.39 3.11 0.32 0.16 116.57 121.63 2key h LYS 65 Ca 0.04 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2key h LYS 65 Cb 0.93 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.08 2key h LYS 65 CO 0.08 0.53 -0.02 0.87 -2.81 0.00 0.00 179.45 178.10 2key h LYS 66 N 0.43 0.00 -0.06 1.90 1.79 -0.91 -3.06 116.57 116.66 2key h LYS 66 Ca 0.12 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.44 2key h LYS 66 Cb 0.20 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2key h LYS 66 CO -0.01 0.00 -0.55 1.15 -1.08 0.00 0.00 179.45 178.96 2key h THR 67 N -0.58 1.39 0.00 -0.16 2.02 -1.05 -3.16 112.91 111.38 2key h THR 67 Ca 0.00 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.25 2key h THR 67 Cb 0.02 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2key h THR 67 CO 0.00 0.57 -0.40 0.18 0.37 0.00 0.00 175.52 176.25 2key n LEU 68 N -4.22 0.44 -1.45 2.58 4.77 -0.85 -4.94 117.00 113.33 2key n LEU 68 Ca -0.09 0.17 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 2key n LEU 68 Cb 0.63 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2key n LEU 68 CO 0.46 0.05 -0.17 0.00 -1.33 0.00 0.00 177.39 176.41 2key s ASN 70 N -2.52 6.40 0.62 0.00 0.01 -0.59 -4.96 114.94 113.90 2key s ASN 70 Ca 0.00 0.39 0.02 0.00 -0.71 0.00 0.00 52.86 52.55 2key s ASN 70 Cb 0.00 -2.01 0.11 0.00 0.41 0.00 0.00 41.25 39.76 2key s ASN 70 CO 0.00 0.05 0.76 0.00 -1.51 0.00 0.00 177.10 176.40 2key n ALA 71 N -0.19 0.35 0.24 0.60 0.00 -1.26 -3.70 120.51 116.55 2key n ALA 71 Ca -0.04 -1.58 -0.16 0.00 0.00 0.00 0.00 53.44 51.65 2key n ALA 71 Cb 0.52 0.30 -0.08 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.34 -1.11 -0.39 0.00 5.19 -1.98 0.39 116.42 118.17 2key h ASP 72 Ca -0.25 0.09 -0.05 0.00 -0.62 0.00 0.00 57.03 56.21 2key h ASP 72 Cb 0.98 0.37 -0.02 0.00 0.18 0.00 0.00 39.33 40.84 2key h ASP 72 CO 0.29 -0.55 0.09 0.28 -3.12 0.00 0.00 179.24 176.23 2key h SER 73 N -0.82 0.66 -0.40 6.45 0.02 -1.99 0.08 113.55 117.55 2key h SER 73 Ca -0.03 -0.11 -0.15 0.00 -0.84 0.00 0.00 61.79 60.65 2key h SER 73 Cb 0.74 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2key h SER 73 CO -0.07 0.67 -0.34 0.74 -1.14 0.00 0.00 176.83 176.69 2key h THR 74 N 0.69 1.27 -0.46 -2.27 2.02 -1.85 -2.03 112.91 110.27 2key h THR 74 Ca 0.15 -1.52 -0.06 0.00 0.77 0.00 0.00 66.41 65.76 2key h THR 74 Cb 0.29 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2key h THR 74 CO 0.00 0.51 0.05 0.00 0.37 0.00 0.00 175.52 176.45 2key h ALA 75 N 0.81 0.62 -0.61 6.16 0.00 0.21 -2.66 119.26 123.80 2key h ALA 75 Ca 0.07 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2key h ALA 75 Cb 0.93 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2key h ALA 75 CO 0.09 0.37 0.40 1.96 0.00 0.00 0.00 179.25 182.07 2key h GLN 76 N 0.65 0.66 -0.54 0.00 1.08 -0.84 0.47 115.11 116.59 2key h GLN 76 Ca 0.14 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.27 2key h GLN 76 Cb 0.42 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2key h GLN 76 CO 0.01 0.44 0.21 0.00 -0.95 0.00 0.00 178.83 178.54 2key h ARG 77 N 0.68 0.80 -0.15 1.46 2.47 -1.04 -1.75 114.38 116.86 2key h ARG 77 Ca 0.25 -0.15 -0.19 0.00 -1.26 0.00 0.00 59.98 58.63 2key h ARG 77 Cb 0.13 -0.13 0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2key h ARG 77 CO -0.07 0.71 -0.64 -0.97 0.56 0.00 0.00 179.97 179.55 2key h ASN 78 N 0.73 0.83 0.52 7.04 -1.24 -1.01 -3.20 115.58 119.24 2key h ASN 78 Ca 0.18 -0.62 -0.01 0.00 0.71 0.00 0.00 56.30 56.56 2key h ASN 78 Cb 0.20 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.01 2key h ASN 78 CO -0.01 1.31 -0.04 -0.07 -1.29 0.00 0.00 177.43 177.33 2key h LEU 79 N 0.39 0.00 -1.77 0.34 3.38 0.01 -2.68 115.31 114.98 2key h LEU 79 Ca -0.04 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.19 2key h LEU 79 Cb 1.28 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 2key h LEU 79 CO 0.13 0.04 0.67 0.28 0.09 0.00 0.00 178.44 179.65 2key h SER 80 N 0.00 0.18 -0.19 -0.43 0.02 -1.31 0.19 113.55 112.00 2key h SER 80 Ca -0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2key h SER 80 Cb 0.31 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2key h SER 80 CO 0.00 0.05 0.07 0.71 -1.14 0.00 0.00 176.83 176.53 2key h THR 81 N 0.17 1.17 -0.26 -2.27 1.35 -1.69 -1.15 112.91 110.23 2key h THR 81 Ca 0.49 -0.54 -0.14 0.00 -0.55 0.00 0.00 66.41 65.67 2key h THR 81 Cb 1.64 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 2key h THR 81 CO -0.10 0.17 -0.42 0.40 -0.25 0.00 0.00 175.52 175.33 2key h ILE 82 N 0.15 1.30 -0.78 6.82 2.04 -1.42 -3.00 117.51 122.61 2key h ILE 82 Ca 0.06 -1.59 0.11 0.00 1.00 0.00 0.00 64.86 64.44 2key h ILE 82 Cb 0.20 1.55 -0.08 0.00 -0.74 0.00 0.00 36.82 37.75 2key h ILE 82 CO -0.00 0.51 0.41 0.50 0.00 0.00 0.00 178.15 179.56 2key h LYS 83 N 0.51 0.64 -0.17 2.37 3.64 -0.39 -2.87 116.57 120.30 2key h LYS 83 Ca 0.04 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2key h LYS 83 Cb 0.94 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.57 2key h LYS 83 CO 0.08 0.42 -0.12 0.82 -2.27 0.00 0.00 179.45 178.38 2key h ILE 84 N 0.66 0.64 0.00 2.00 1.08 -1.06 0.80 117.51 121.63 2key h ILE 84 Ca 0.40 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.74 2key h ILE 84 Cb 0.45 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 2key h ILE 84 CO -0.29 0.00 -0.58 0.10 -0.69 0.00 0.00 178.15 176.69 2key h TYR 85 N -0.13 0.00 -0.00 1.37 -0.00 -1.63 -0.78 116.97 115.81 2key h TYR 85 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.78 2key h TYR 85 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.01 2key h TYR 85 CO -0.26 0.58 -0.21 0.28 -0.00 0.00 0.00 178.16 178.54 2key h VAL 86 N 0.00 1.56 -0.48 -0.90 2.07 -1.25 -3.23 116.25 114.03 2key h VAL 86 Ca -0.01 -1.94 -0.02 0.00 0.82 0.00 0.00 66.70 65.56 2key h VAL 86 Cb 1.09 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.62 2key h VAL 86 CO 0.07 0.53 0.20 0.28 0.02 0.00 0.00 177.57 178.67 2key h SER 87 N -0.55 0.61 -0.32 0.57 0.02 0.78 -0.26 113.55 114.41 2key h SER 87 Ca -0.03 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 2key h SER 87 Cb 0.97 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 2key h SER 87 CO 0.04 0.55 -0.03 0.00 -1.14 0.00 0.00 176.83 176.25 2key h ALA 88 N 1.54 1.17 0.00 3.77 0.00 -1.26 -2.18 119.26 122.31 2key h ALA 88 Ca 0.17 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2key h ALA 88 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2key h ALA 88 CO -0.02 0.54 -0.65 0.00 0.00 0.00 0.00 179.25 179.11 2key h ALA 89 N 1.33 0.76 -0.33 0.00 0.00 -1.24 -2.65 119.26 117.11 2key h ALA 89 Ca 0.13 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2key h ALA 89 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2key h ALA 89 CO 0.02 0.82 -0.03 0.82 0.00 0.00 0.00 179.25 180.88 2key h ILE 90 N 0.00 1.27 -0.50 0.00 2.04 -0.72 0.25 117.51 119.85 2key h ILE 90 Ca -0.01 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 64.76 2key h ILE 90 Cb 1.29 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 2key h ILE 90 CO 0.09 0.34 0.09 0.50 0.00 0.00 0.00 178.15 179.16 2key h LYS 91 N 0.41 0.82 -0.20 2.37 1.63 -1.34 -2.86 116.57 117.40 2key h LYS 91 Ca 0.09 -0.22 -0.12 0.00 -0.85 0.00 0.00 60.65 59.55 2key h LYS 91 Cb 0.50 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2key h LYS 91 CO 0.02 0.81 -0.40 -0.22 -3.45 0.00 0.00 179.45 176.22 2key h LYS 92 N 0.70 0.47 0.00 1.90 1.63 -1.47 -3.47 116.57 116.33 2key h LYS 92 Ca 0.15 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2key h LYS 92 Cb 0.39 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2key h LYS 92 CO 0.01 0.79 0.00 0.41 -3.45 0.00 0.00 179.45 177.21 2key n GLY 93 N -0.07 1.72 0.11 5.01 0.00 -0.61 -5.02 105.19 106.33 2key n GLY 93 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2key n GLY 93 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2key h TYR 94 N 0.00 0.22 -3.25 1.61 3.20 -0.79 -3.43 116.97 114.53 2key h TYR 94 Ca 0.00 -0.16 -0.67 0.00 3.14 0.00 0.00 58.73 61.04 2key h TYR 94 Cb 0.00 -0.01 -0.17 0.00 1.54 0.00 0.00 36.73 38.09 2key h TYR 94 CO 0.00 1.49 0.11 -1.64 -1.64 0.00 0.00 178.16 176.48 2key s MET 95 N -2.41 3.15 0.06 1.82 -1.94 -0.55 -4.91 119.30 114.52 2key s MET 95 Ca -0.24 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 52.94 2key s MET 95 Cb 0.04 -4.09 -0.26 0.00 2.01 0.00 0.00 34.83 32.53 2key s MET 95 CO 0.69 -1.25 1.05 0.93 -0.01 0.00 0.00 175.02 176.43 2key h GLU 96 N 9.03 0.18 -5.92 2.03 5.08 -1.87 -3.34 114.58 119.76 2key h GLU 96 Ca -0.27 -0.30 -0.69 0.00 -1.00 0.00 0.00 59.36 57.10 2key h GLU 96 Cb 1.09 0.11 -0.31 0.00 0.50 0.00 0.00 28.75 30.14 2key h GLU 96 CO 0.98 1.08 -0.88 -0.80 -1.00 0.00 0.00 179.01 178.39 2key s ASN 97 N -6.91 3.11 0.43 1.42 0.02 -1.26 -5.10 114.94 106.65 2key s ASN 97 Ca -0.04 -0.51 -0.20 0.00 -1.02 0.00 0.00 52.86 51.09 2key s ASN 97 Cb 0.08 -0.93 -0.10 0.00 0.02 0.00 0.00 41.25 40.32 2key s ASN 97 CO 0.85 0.24 0.93 1.51 0.02 0.00 0.00 177.10 180.65 2key s ASP 98 N -0.10 6.88 0.00 -1.22 -4.77 -1.26 -4.97 116.67 111.23 2key s ASP 98 Ca -0.05 1.63 0.31 0.00 -3.30 0.00 0.00 52.55 51.14 2key s ASP 98 Cb -0.14 -2.52 1.64 0.00 -1.09 0.00 0.00 42.92 40.80 2key s ASP 98 CO 0.04 -0.38 2.11 -0.81 0.70 0.00 0.00 175.17 176.83 2key n PRO 99 N -0.74 0.59 -0.49 2.11 -0.04 -1.26 -3.16 135.00 132.01 2key n PRO 99 Ca 0.07 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2key n PRO 99 Cb 0.54 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.77 2key n PRO 99 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2key n PHE 100 N -1.20 1.08 0.08 0.54 1.16 -1.26 -3.72 117.46 114.14 2key n PHE 100 Ca 0.17 -0.82 0.21 0.00 -1.87 0.00 0.00 57.45 55.13 2key n PHE 100 Cb 0.20 -0.32 0.73 0.00 -1.61 0.00 0.00 39.48 38.49 2key n PHE 100 CO 0.00 0.00 0.00 0.87 -1.87 0.00 0.00 176.76 175.76 2key h LYS 101 N 2.18 0.00 0.00 3.97 1.79 -1.96 -0.22 116.57 122.34 2key h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2key h LYS 101 Cb 1.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.12 2key h LYS 101 CO 0.24 0.00 0.00 0.38 -1.08 0.00 0.00 179.45 178.99 2key h ASP 102 N 0.00 0.00 1.37 0.86 2.03 -1.89 -2.15 116.42 116.63 2key h ASP 102 Ca 0.20 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.48 2key h ASP 102 Cb 1.17 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.66 2key h ASP 102 CO -0.00 0.00 -0.12 -0.26 -1.03 0.00 0.00 179.24 177.83 2key h PHE 103 N 0.00 0.00 -0.41 4.15 0.04 -1.41 -3.48 116.94 115.82 2key h PHE 103 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2key h PHE 103 Cb 0.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.73 2key h PHE 103 CO 0.00 0.12 0.00 0.41 -0.60 0.00 0.00 178.31 178.24 2key n GLY 104 N 0.55 -0.02 3.76 -1.45 0.00 -0.81 -5.11 105.19 102.11 2key n GLY 104 Ca 0.02 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 3.60 0.12 0.99 2.01 -1.26 -5.06 118.68 119.08 2key s LEU 105 Ca 0.00 -0.39 -0.31 0.00 0.01 0.00 0.00 54.13 53.44 2key s LEU 105 Cb 0.00 -2.13 -0.09 0.00 0.01 0.00 0.00 46.19 43.98 2key s LEU 105 CO 0.00 -0.02 1.65 -1.61 1.01 0.00 0.00 176.35 177.37 2key s GLU 106 N -3.77 4.19 -1.36 1.70 0.41 -1.26 -4.89 118.70 113.72 2key s GLU 106 Ca 0.32 2.39 -0.14 0.00 -0.41 0.00 0.00 54.97 57.14 2key s GLU 106 Cb -0.07 -3.39 0.09 0.00 -1.78 0.00 0.00 34.13 28.97 2key s GLU 106 CO 0.23 -0.70 1.97 0.72 -0.49 0.00 0.00 175.26 176.99 2key n HIS 107 N 4.87 3.80 -2.37 1.61 8.25 -1.26 -4.85 115.22 125.26 2key n HIS 107 Ca 0.15 -2.94 -0.43 0.00 -0.26 0.00 0.00 57.72 54.24 2key n HIS 107 Cb 0.39 -2.40 0.00 0.00 1.12 0.00 0.00 29.99 29.10 2key n HIS 107 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2key n HIS 108 N 6.06 3.54 -0.79 4.41 -0.00 -1.26 -4.84 115.22 122.33 2key n HIS 108 Ca 0.47 -2.93 0.03 0.00 0.46 0.00 0.00 57.72 55.75 2key n HIS 108 Cb 0.40 -2.14 -0.02 0.00 -0.12 0.00 0.00 29.99 28.12 2key n HIS 108 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2key n HIS 109 N 4.87 -2.16 0.75 1.57 8.25 -1.26 -4.79 115.22 122.45 2key n HIS 109 Ca 0.42 1.18 0.11 0.00 -0.26 0.00 0.00 57.72 59.16 2key n HIS 109 Cb 0.39 -2.02 -0.01 0.00 1.12 0.00 0.00 29.99 29.47 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 -2.47 0.10 -3.69 4.41 -0.00 -1.26 -4.92 115.22 107.39 2key n HIS 110 Ca -0.02 0.03 -0.14 0.00 0.46 0.00 0.00 57.72 58.05 2key n HIS 110 Cb 0.29 -0.25 -0.09 0.00 -0.12 0.00 0.00 29.99 29.82 2key n HIS 110 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2key s HIS 111 N -3.12 -0.50 -2.62 1.57 2.46 -1.26 -5.27 115.29 106.55 2key s HIS 111 Ca 0.06 1.14 0.27 0.00 0.47 0.00 0.00 55.06 57.00 2key s HIS 111 Cb 0.15 0.20 0.84 0.00 -0.13 0.00 0.00 32.58 33.64 2key s HIS 111 CO 0.82 -0.33 1.63 -2.39 -2.47 0.00 0.00 174.74 171.99