#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 6.47 -0.43 6.12 -0.87 -1.26 -4.42 114.94 120.54 2key s ASN 2 Ca 0.00 1.21 -0.18 0.00 -1.57 0.00 0.00 52.86 52.32 2key s ASN 2 Cb 0.00 -2.36 0.02 0.00 -0.02 0.00 0.00 41.25 38.89 2key s ASN 2 CO 0.00 -0.51 0.61 -3.20 -2.57 0.00 0.00 177.10 171.42 2key n ASN 3 N -1.66 -7.74 0.02 -1.22 5.15 -1.26 -4.95 115.26 103.60 2key n ASN 3 Ca 0.03 0.47 -0.12 0.00 -0.60 0.00 0.00 54.58 54.36 2key n ASN 3 Cb 0.54 -5.06 -0.08 0.00 -0.53 0.00 0.00 39.78 34.65 2key n ASN 3 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2key h PRO 4 N 2.00 -0.01 -5.86 1.20 0.11 -2.05 -3.39 132.00 124.00 2key h PRO 4 Ca -0.05 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.44 2key h PRO 4 Cb 1.04 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.03 2key h PRO 4 CO 0.20 0.23 0.40 -1.12 -0.21 0.00 0.00 178.00 177.51 2key s SER 5 N -5.43 6.43 0.00 -2.05 0.01 -1.26 -4.88 113.70 106.52 2key s SER 5 Ca -0.14 -0.05 0.15 0.00 1.31 0.00 0.00 55.95 57.21 2key s SER 5 Cb 0.04 -2.40 0.63 0.00 0.21 0.00 0.00 66.02 64.50 2key s SER 5 CO 0.67 -0.94 1.44 -0.67 0.41 0.00 0.00 173.24 174.15 2key n ASP 6 N 6.81 1.02 -4.10 2.44 2.03 -1.26 -4.70 116.55 118.79 2key n ASP 6 Ca 0.03 -1.74 -0.33 0.00 0.52 0.00 0.00 54.79 53.27 2key n ASP 6 Cb 0.48 -0.09 -0.14 0.00 -0.72 0.00 0.00 41.12 40.65 2key n ASP 6 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2key s PHE 7 N -1.82 3.35 -0.45 -0.67 -0.71 -1.26 -4.89 117.98 111.54 2key s PHE 7 Ca 0.24 -2.29 0.23 0.00 -1.04 0.00 0.00 56.93 54.07 2key s PHE 7 Cb 0.12 -2.19 -0.04 0.00 -1.21 0.00 0.00 43.02 39.70 2key s PHE 7 CO 0.19 -0.87 0.92 1.63 -1.34 0.00 0.00 175.22 175.75 2key n LYS 8 N 4.47 0.40 -4.01 1.99 4.76 -1.26 -4.78 118.16 119.74 2key n LYS 8 Ca -0.11 -0.02 -0.33 0.00 -2.87 0.00 0.00 58.31 54.98 2key n LYS 8 Cb 0.42 -1.62 -0.06 0.00 -1.84 0.00 0.00 35.03 31.94 2key n LYS 8 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2key s SER 9 N -4.26 6.00 0.24 4.39 0.01 -1.26 -4.99 113.70 113.83 2key s SER 9 Ca 0.01 0.25 -0.05 0.00 1.31 0.00 0.00 55.95 57.47 2key s SER 9 Cb 0.13 -1.81 0.38 0.00 0.21 0.00 0.00 66.02 64.94 2key s SER 9 CO 0.82 0.27 1.81 2.19 0.41 0.00 0.00 173.24 178.75 2key h PHE 10 N 4.02 0.84 -0.15 2.43 -0.00 -1.99 0.18 116.94 122.27 2key h PHE 10 Ca -0.49 0.03 -0.08 0.00 -0.00 0.00 0.00 57.97 57.43 2key h PHE 10 Cb 1.19 -0.26 -0.01 0.00 -0.00 0.00 0.00 35.95 36.87 2key h PHE 10 CO 0.66 0.35 -0.25 1.12 -0.00 0.00 0.00 178.31 180.19 2key h HIS 11 N 0.79 0.30 0.12 6.09 2.07 -1.94 -1.08 115.15 121.49 2key h HIS 11 Ca 0.39 -0.05 -0.27 0.00 -2.85 0.00 0.00 60.37 57.58 2key h HIS 11 Cb 0.34 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 30.25 2key h HIS 11 CO -0.06 0.51 -1.26 -0.44 -3.07 0.00 0.00 177.93 173.61 2key h ASP 12 N 0.24 0.39 -0.07 3.10 5.19 -1.74 -2.28 116.42 121.26 2key h ASP 12 Ca 0.04 -0.43 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 2key h ASP 12 Cb 0.58 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.96 2key h ASP 12 CO 0.04 1.34 0.05 0.15 -3.12 0.00 0.00 179.24 177.70 2key h PHE 13 N 0.07 0.09 -0.53 4.55 3.57 -0.40 0.50 116.94 124.79 2key h PHE 13 Ca -0.14 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.39 2key h PHE 13 Cb 1.97 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 40.64 2key h PHE 13 CO 0.06 0.06 0.32 0.28 -2.23 0.00 0.00 178.31 176.79 2key h VAL 14 N 0.10 1.05 -0.79 1.41 2.07 -1.26 -0.17 116.25 118.67 2key h VAL 14 Ca 0.03 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2key h VAL 14 Cb -0.01 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2key h VAL 14 CO -0.01 0.11 0.43 0.00 0.02 0.00 0.00 177.57 178.13 2key h ALA 15 N 1.24 1.01 -0.25 1.67 0.00 -1.11 0.37 119.26 122.18 2key h ALA 15 Ca 0.21 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2key h ALA 15 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2key h ALA 15 CO -0.10 0.52 -0.16 0.77 0.00 0.00 0.00 179.25 180.28 2key h SER 16 N 1.09 0.58 -0.18 0.00 0.02 -0.52 -0.58 113.55 113.97 2key h SER 16 Ca 0.28 -0.43 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 2key h SER 16 Cb 0.03 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2key h SER 16 CO -0.04 0.89 -0.07 0.22 -1.14 0.00 0.00 176.83 176.69 2key h TYR 17 N 0.28 0.53 0.00 3.45 3.20 -0.82 -2.48 116.97 121.13 2key h TYR 17 Ca 0.05 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 2key h TYR 17 Cb 0.69 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2key h TYR 17 CO 0.07 0.57 -0.38 1.98 -1.64 0.00 0.00 178.16 178.76 2key h MET 18 N 0.48 0.00 -0.53 1.82 4.05 0.03 -3.02 114.93 117.75 2key h MET 18 Ca 0.10 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.62 2key h MET 18 Cb 0.42 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.13 2key h MET 18 CO 0.02 0.38 -0.02 0.87 0.23 0.00 0.00 176.91 178.39 2key h LYS 19 N 0.00 0.09 -0.14 0.39 1.79 -0.61 1.01 116.57 119.10 2key h LYS 19 Ca -0.00 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.34 2key h LYS 19 Cb 0.85 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 2key h LYS 19 CO 0.05 0.06 -0.44 1.15 -1.08 0.00 0.00 179.45 179.19 2key h THR 20 N 0.10 1.32 -0.03 -0.16 2.02 -1.65 -2.64 112.91 111.86 2key h THR 20 Ca 0.27 -1.62 -0.08 0.00 0.77 0.00 0.00 66.41 65.75 2key h THR 20 Cb 0.41 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2key h THR 20 CO -0.46 0.49 -0.33 0.22 0.37 0.00 0.00 175.52 175.81 2key h TYR 21 N 0.28 0.07 0.00 3.16 3.20 -1.00 -2.50 116.97 120.18 2key h TYR 21 Ca 0.02 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2key h TYR 21 Cb 0.90 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.15 2key h TYR 21 CO 0.02 0.39 0.00 0.45 -1.64 0.00 0.00 178.16 177.38 2key n SER 22 N -4.13 0.66 0.13 -2.11 2.88 0.34 -1.57 113.62 109.82 2key n SER 22 Ca -0.02 0.65 0.04 0.00 -1.33 0.00 0.00 58.87 58.21 2key n SER 22 Cb 0.39 -0.79 0.44 0.00 -0.75 0.00 0.00 64.21 63.50 2key n SER 22 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2key h ARG 23 N 0.00 0.22 -0.49 -1.46 2.43 -1.44 -2.10 114.38 111.54 2key h ARG 23 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2key h ARG 23 Cb 0.40 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2key h ARG 23 CO 0.00 0.30 0.00 0.54 -1.51 0.00 0.00 179.97 179.30 2key n ARG 24 N -4.35 3.17 -4.80 0.20 1.74 -0.61 -4.95 116.66 107.06 2key n ARG 24 Ca -0.01 -2.57 -0.26 0.00 -0.77 0.00 0.00 57.85 54.25 2key n ARG 24 Cb 0.21 -1.63 -0.15 0.00 -1.02 0.00 0.00 32.46 29.88 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 -1.60 2.10 0.65 0.55 2.96 -0.79 -5.12 118.68 117.43 2key s LEU 25 Ca 0.40 -0.44 -0.15 0.00 -0.22 0.00 0.00 54.13 53.72 2key s LEU 25 Cb 0.25 -0.99 -0.01 0.00 0.50 0.00 0.00 46.19 45.94 2key s LEU 25 CO 0.20 0.20 1.10 -0.70 -1.32 0.00 0.00 176.35 175.83 2key s GLU 26 N -0.83 2.89 0.30 1.98 -6.30 -1.26 -4.81 118.70 110.67 2key s GLU 26 Ca 0.07 1.36 0.03 0.00 -2.50 0.00 0.00 54.97 53.93 2key s GLU 26 Cb -0.08 -1.96 0.49 0.00 0.00 0.00 0.00 34.13 32.57 2key s GLU 26 CO 0.01 -1.17 1.79 0.82 0.02 0.00 0.00 175.26 176.72 2key h ILE 27 N 0.10 1.24 0.55 -3.70 2.04 -1.98 -1.47 117.51 114.29 2key h ILE 27 Ca -0.47 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.31 2key h ILE 27 Cb 1.24 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 2key h ILE 27 CO 0.55 0.35 -0.45 1.23 0.00 0.00 0.00 178.15 179.82 2key h GLY 28 N 0.94 -1.15 0.99 5.37 0.00 -1.99 0.14 103.07 107.37 2key h GLY 28 Ca 0.08 0.52 -0.07 0.00 0.00 0.00 0.00 47.33 47.86 2key h GLY 28 CO 0.03 -0.37 0.02 0.00 0.00 0.00 0.00 176.54 176.21 2key h THR 29 N -0.98 1.26 -0.24 4.70 1.03 -1.95 -2.15 112.91 114.57 2key h THR 29 Ca -0.06 -1.03 0.06 0.00 -0.01 0.00 0.00 66.41 65.37 2key h THR 29 Cb 0.84 1.00 -0.07 0.00 -1.07 0.00 0.00 68.15 68.84 2key h THR 29 CO -0.01 0.36 -0.24 0.15 -0.01 0.00 0.00 175.52 175.77 2key h PHE 30 N 0.68 -0.64 0.00 0.00 3.57 -1.14 -1.90 116.94 117.51 2key h PHE 30 Ca 0.14 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 2key h PHE 30 Cb 0.48 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 2key h PHE 30 CO 0.04 -0.32 -0.03 0.07 -2.23 0.00 0.00 178.31 175.84 2key h ARG 31 N -0.25 0.00 0.00 1.11 0.11 -0.64 -1.47 114.38 113.24 2key h ARG 31 Ca 0.14 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.18 2key h ARG 31 Cb 0.46 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.53 2key h ARG 31 CO -0.38 0.03 -0.16 1.25 0.10 0.00 0.00 179.97 180.81 2key h HIS 32 N 0.00 0.00 -0.53 4.08 2.76 -0.66 -2.69 115.15 118.11 2key h HIS 32 Ca -0.00 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 57.82 2key h HIS 32 Cb 0.60 0.00 -0.40 0.00 1.55 0.00 0.00 27.41 29.16 2key h HIS 32 CO 0.00 0.16 -1.00 -2.39 -1.30 0.00 0.00 177.93 173.40 2key n HIS 33 N -3.58 1.74 0.00 5.26 1.44 -0.93 -4.94 115.22 114.21 2key n HIS 33 Ca -0.01 -2.11 -0.00 0.00 -2.01 0.00 0.00 57.72 53.59 2key n HIS 33 Cb 0.29 -0.27 -0.00 0.00 0.12 0.00 0.00 29.99 30.14 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 2.38 -0.00 0.00 -1.40 3.64 -0.93 -3.45 116.57 116.81 2key h LYS 34 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2key h LYS 34 Cb 1.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2key h LYS 34 CO 0.39 -0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.43 2key n SER 35 N -2.00 0.00 0.00 4.20 3.41 -1.26 -4.85 113.62 113.12 2key n SER 35 Ca -0.00 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2key n SER 35 Cb 0.00 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 2key n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2key h MET 37 N 0.00 0.00 0.00 0.00 -0.00 -1.93 0.41 114.93 113.41 2key h MET 37 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.54 2key h MET 37 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.58 2key h MET 37 CO 0.00 0.36 -0.75 -0.09 -0.00 0.00 0.00 176.91 176.44 2key h ARG 38 N 0.00 0.00 0.14 -0.10 2.43 -0.64 -1.99 114.38 114.21 2key h ARG 38 Ca -0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 2key h ARG 38 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2key h ARG 38 CO 0.05 0.75 -1.51 -0.22 -1.51 0.00 0.00 179.97 177.53 2key h LYS 39 N 0.00 0.29 0.00 0.20 3.11 -1.57 -3.24 116.57 115.35 2key h LYS 39 Ca -0.01 -0.49 -0.12 0.00 -2.81 0.00 0.00 60.65 57.22 2key h LYS 39 Cb 1.35 0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 32.74 2key h LYS 39 CO 0.10 1.17 -0.57 0.35 -2.81 0.00 0.00 179.45 177.69 2key h PHE 40 N 0.08 0.00 -2.83 1.91 3.57 -0.95 -3.40 116.94 115.32 2key h PHE 40 Ca -0.24 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.73 2key h PHE 40 Cb 2.03 0.00 -0.40 0.00 2.79 0.00 0.00 35.95 40.37 2key h PHE 40 CO 0.07 0.57 -0.78 0.15 -2.23 0.00 0.00 178.31 176.10 2key s LYS 41 N -3.52 0.24 0.00 1.11 3.01 -0.75 -5.02 119.74 114.81 2key s LYS 41 Ca -0.01 -0.57 -0.05 0.00 -1.01 0.00 0.00 55.97 54.33 2key s LYS 41 Cb 0.12 -1.25 -0.03 0.00 -1.01 0.00 0.00 37.83 35.66 2key s LYS 41 CO 0.74 -1.01 0.83 0.93 0.51 0.00 0.00 175.35 177.36 2key h GLU 42 N 8.38 -0.18 -4.91 1.68 5.08 -1.79 -3.40 114.58 119.45 2key h GLU 42 Ca -0.19 0.01 -0.61 0.00 -1.00 0.00 0.00 59.36 57.57 2key h GLU 42 Cb 1.01 0.04 -0.34 0.00 0.50 0.00 0.00 28.75 29.96 2key h GLU 42 CO 0.44 -0.12 -0.85 1.52 -1.00 0.00 0.00 179.01 179.00 2key s TYR 43 N -2.95 2.18 0.00 4.33 -0.85 -1.26 -5.01 117.35 113.79 2key s TYR 43 Ca -0.03 -1.02 0.00 0.00 -0.52 0.00 0.00 57.07 55.50 2key s TYR 43 Cb 0.00 -1.53 0.00 0.00 0.38 0.00 0.00 41.96 40.81 2key s TYR 43 CO 0.08 -0.49 0.00 0.00 -1.52 0.00 0.00 175.55 173.62 2key n GLU 45 N -0.41 0.00 0.00 0.00 0.00 -1.26 -4.87 120.64 114.10 2key n GLU 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2key n GLU 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2key n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2key n GLY 46 N 0.00 1.92 3.89 -1.84 0.00 -1.26 -5.03 105.19 102.87 2key n GLY 46 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 3.80 0.00 0.99 -0.00 -1.26 -5.09 118.68 117.12 2key s LEU 47 Ca 0.00 1.02 0.04 0.00 -0.00 0.00 0.00 54.13 55.19 2key s LEU 47 Cb 0.00 -3.91 0.04 0.00 -0.00 0.00 0.00 46.19 42.32 2key s LEU 47 CO 0.00 -0.42 0.35 0.00 -0.00 0.00 0.00 176.35 176.27 2key n GLN 48 N -1.52 0.75 0.10 1.48 3.00 -1.26 -5.03 117.38 114.90 2key n GLN 48 Ca 0.01 -3.20 -0.13 0.00 -0.01 0.00 0.00 57.00 53.67 2key n GLN 48 Cb 0.54 0.39 -0.08 0.00 0.00 0.00 0.00 30.24 31.09 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 0.71 -0.25 -0.07 1.08 -0.00 -1.97 -2.96 116.94 113.47 2key h PHE 49 Ca -0.33 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.64 2key h PHE 49 Cb 1.18 0.08 0.00 0.00 -0.00 0.00 0.00 35.95 37.21 2key h PHE 49 CO 0.00 0.10 0.00 1.58 -0.00 0.00 0.00 178.31 179.99 2key n HIS 50 N -5.05 0.09 0.06 6.09 -0.00 -1.26 -2.48 115.22 112.67 2key n HIS 50 Ca -0.09 -0.05 -0.09 0.00 -0.00 0.00 0.00 57.72 57.49 2key n HIS 50 Cb 0.24 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.11 2key n HIS 50 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 2key h GLU 51 N 1.38 0.05 -5.77 1.57 4.81 -1.92 -3.40 114.58 111.30 2key h GLU 51 Ca 0.00 -0.09 -0.45 0.00 -0.13 0.00 0.00 59.36 58.69 2key h GLU 51 Cb 0.30 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 2key h GLU 51 CO 0.00 0.98 1.29 -1.17 -0.73 0.00 0.00 179.01 179.38 2key s LEU 52 N -6.72 3.34 0.00 1.64 1.98 -1.04 -4.52 118.68 113.36 2key s LEU 52 Ca -0.01 -1.46 0.04 0.00 -2.89 0.00 0.00 54.13 49.81 2key s LEU 52 Cb 0.09 -2.57 -0.02 0.00 0.66 0.00 0.00 46.19 44.35 2key s LEU 52 CO 0.83 -2.24 0.15 0.35 -1.89 0.00 0.00 176.35 173.55 2key n THR 53 N 7.34 0.00 -0.26 3.68 -2.24 -1.26 -4.57 114.28 116.96 2key n THR 53 Ca 0.41 -1.87 0.05 0.00 -2.27 0.00 0.00 64.05 60.37 2key n THR 53 Cb 0.48 0.76 0.18 0.00 -2.10 0.00 0.00 70.33 69.64 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 0.53 -0.94 -0.78 4.22 -1.90 -0.42 114.58 115.28 2key h GLU 54 Ca -0.23 -0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.26 2key h GLU 54 Cb 0.94 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 2key h GLU 54 CO 0.35 0.35 0.61 0.22 -2.18 0.00 0.00 179.01 178.36 2key h ASP 55 N 0.54 0.93 0.09 1.04 1.82 -1.96 0.20 116.42 119.09 2key h ASP 55 Ca 0.41 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 57.06 2key h ASP 55 Cb 0.55 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.38 2key h ASP 55 CO -0.35 0.58 -0.04 0.15 -1.61 0.00 0.00 179.24 177.97 2key h PHE 56 N 1.05 -0.12 -0.72 0.28 3.04 -1.35 -2.59 116.94 116.53 2key h PHE 56 Ca 0.41 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.38 2key h PHE 56 Cb 0.24 0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.75 2key h PHE 56 CO -0.00 0.33 0.48 -0.07 -2.02 0.00 0.00 178.31 177.03 2key h LEU 57 N -0.62 0.80 0.20 0.59 -0.00 -0.95 0.29 115.31 115.62 2key h LEU 57 Ca -0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2key h LEU 57 Cb 0.50 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 2key h LEU 57 CO 0.02 0.57 -0.15 -0.09 -0.00 0.00 0.00 178.44 178.79 2key h ARG 58 N 0.94 -0.34 -0.24 1.13 2.43 -0.59 0.06 114.38 117.77 2key h ARG 58 Ca 0.28 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.33 2key h ARG 58 Cb -0.04 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2key h ARG 58 CO -0.07 -0.22 -0.41 0.22 -1.51 0.00 0.00 179.97 177.98 2key h ASP 59 N -0.35 0.77 -0.48 -3.80 3.58 -1.03 -2.35 116.42 112.75 2key h ASP 59 Ca -0.01 -0.53 -0.07 0.00 0.42 0.00 0.00 57.03 56.84 2key h ASP 59 Cb 0.31 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2key h ASP 59 CO -0.00 1.15 0.05 0.22 -2.88 0.00 0.00 179.24 177.78 2key h TYR 60 N 0.41 0.93 0.25 0.28 3.20 -0.93 0.12 116.97 121.23 2key h TYR 60 Ca 0.02 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 2key h TYR 60 Cb 1.00 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 2key h TYR 60 CO 0.08 0.82 -0.14 1.25 -1.64 0.00 0.00 178.16 178.53 2key h LEU 61 N 0.82 -0.35 -0.59 2.82 5.85 -0.92 -0.25 115.31 122.68 2key h LEU 61 Ca 0.17 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2key h LEU 61 Cb 0.42 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2key h LEU 61 CO 0.01 -0.23 0.37 0.40 -0.34 0.00 0.00 178.44 178.65 2key h ILE 62 N -0.37 1.09 -0.63 4.05 1.08 -1.01 0.14 117.51 121.86 2key h ILE 62 Ca -0.03 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2key h ILE 62 Cb 0.30 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 2key h ILE 62 CO 0.04 0.14 0.40 0.22 -0.69 0.00 0.00 178.15 178.25 2key h TYR 63 N 0.74 0.82 -0.33 1.37 5.03 -0.64 -1.32 116.97 122.64 2key h TYR 63 Ca 0.23 0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.43 2key h TYR 63 Cb -0.01 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 37.99 2key h TYR 63 CO -0.05 0.54 -0.25 1.98 -1.32 0.00 0.00 178.16 179.07 2key h MET 64 N 0.86 0.76 0.00 1.82 4.05 -0.49 0.14 114.93 122.06 2key h MET 64 Ca 0.23 -0.37 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 2key h MET 64 Cb -0.05 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 2key h MET 64 CO -0.05 0.99 0.00 1.57 0.23 0.00 0.00 176.91 179.65 2key h LYS 65 N 0.53 0.00 0.00 0.39 5.09 -0.57 -2.49 116.57 119.52 2key h LYS 65 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.80 2key h LYS 65 Cb 0.81 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.14 2key h LYS 65 CO 0.07 0.00 -0.63 1.63 -2.09 0.00 0.00 179.45 178.42 2key n LYS 66 N -2.42 0.35 0.01 0.07 5.02 -0.51 -4.30 118.16 116.37 2key n LYS 66 Ca 0.04 0.16 -0.18 0.00 -2.02 0.00 0.00 58.31 56.31 2key n LYS 66 Cb 0.37 -1.14 -0.11 0.00 -0.02 0.00 0.00 35.03 34.13 2key n LYS 66 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2key h THR 67 N -0.66 1.39 0.00 -0.18 2.02 -0.86 -3.17 112.91 111.45 2key h THR 67 Ca 0.00 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.09 2key h THR 67 Cb 0.63 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 2key h THR 67 CO 0.00 0.62 0.00 0.18 0.37 0.00 0.00 175.52 176.69 2key n LEU 68 N -4.15 0.00 -2.02 2.58 4.77 -0.94 -4.87 117.00 112.37 2key n LEU 68 Ca -0.10 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.69 2key n LEU 68 Cb 0.70 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 2key n LEU 68 CO 0.48 0.00 -0.23 0.00 -1.33 0.00 0.00 177.39 176.31 2key s ASN 70 N -2.26 3.14 0.74 0.00 0.01 -1.23 -5.05 114.94 110.28 2key s ASN 70 Ca 0.00 -0.77 -0.11 0.00 -0.71 0.00 0.00 52.86 51.26 2key s ASN 70 Cb 0.00 -0.21 0.04 0.00 0.41 0.00 0.00 41.25 41.49 2key s ASN 70 CO 0.00 0.13 1.12 0.00 -1.51 0.00 0.00 177.10 176.84 2key s ALA 71 N -1.30 2.82 0.39 0.60 0.00 -1.26 -3.72 121.76 119.29 2key s ALA 71 Ca 0.14 -0.48 0.07 0.00 0.00 0.00 0.00 51.96 51.70 2key s ALA 71 Cb -0.09 -2.98 0.82 0.00 0.00 0.00 0.00 23.12 20.86 2key s ALA 71 CO 0.07 -1.33 2.00 0.38 0.00 0.00 0.00 175.76 176.87 2key h ASP 72 N -0.79 0.55 -0.91 0.00 2.03 -1.93 0.92 116.42 116.30 2key h ASP 72 Ca -0.45 -0.00 0.08 0.00 -0.73 0.00 0.00 57.03 55.93 2key h ASP 72 Cb 1.28 -0.13 -0.06 0.00 -0.83 0.00 0.00 39.33 39.59 2key h ASP 72 CO 0.64 0.38 0.59 0.28 -1.03 0.00 0.00 179.24 180.10 2key h SER 73 N 0.64 0.86 0.17 4.15 0.02 -2.00 0.34 113.55 117.73 2key h SER 73 Ca 0.24 0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.98 2key h SER 73 Cb 0.16 -0.16 0.02 0.00 0.14 0.00 0.00 62.40 62.56 2key h SER 73 CO -0.07 0.52 -1.03 0.74 -1.14 0.00 0.00 176.83 175.86 2key h THR 74 N 0.95 1.42 -0.60 -2.27 2.02 -1.58 -3.34 112.91 109.51 2key h THR 74 Ca 0.41 -2.57 0.01 0.00 0.77 0.00 0.00 66.41 65.03 2key h THR 74 Cb 0.33 3.13 -0.03 0.00 -1.74 0.00 0.00 68.15 69.84 2key h THR 74 CO -0.17 0.74 0.40 0.00 0.37 0.00 0.00 175.52 176.86 2key h ALA 75 N 0.09 1.59 -0.28 6.16 0.00 -0.22 -1.31 119.26 125.29 2key h ALA 75 Ca -0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2key h ALA 75 Cb 1.79 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2key h ALA 75 CO 0.18 0.37 0.13 1.96 0.00 0.00 0.00 179.25 181.89 2key h GLN 76 N 0.79 0.38 -0.43 0.00 1.08 -0.46 0.42 115.11 116.89 2key h GLN 76 Ca 0.22 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.26 2key h GLN 76 Cb -0.06 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 2key h GLN 76 CO -0.05 0.30 -0.23 0.00 -0.95 0.00 0.00 178.83 177.90 2key h ARG 77 N 0.39 0.88 0.00 1.46 -0.00 -1.37 1.00 114.38 116.73 2key h ARG 77 Ca 0.10 -0.37 -0.05 0.00 -0.50 0.00 0.00 59.98 59.16 2key h ARG 77 Cb 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 29.98 2key h ARG 77 CO -0.01 1.02 -0.23 -0.97 0.00 0.00 0.00 179.97 179.77 2key h ASN 78 N 0.76 0.00 0.70 7.04 -0.00 -1.03 -2.29 115.58 120.77 2key h ASN 78 Ca 0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 56.30 56.14 2key h ASN 78 Cb 0.78 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.09 2key h ASN 78 CO 0.06 0.23 -1.25 -0.07 -0.00 0.00 0.00 177.43 176.40 2key h LEU 79 N 0.00 0.26 -1.55 0.34 3.38 -0.61 -3.31 115.31 113.82 2key h LEU 79 Ca -0.00 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2key h LEU 79 Cb 0.70 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2key h LEU 79 CO 0.03 1.24 -0.14 0.28 0.09 0.00 0.00 178.44 179.94 2key h SER 80 N 0.05 0.00 0.08 -0.43 0.02 -0.25 -1.28 113.55 111.74 2key h SER 80 Ca -0.13 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.62 2key h SER 80 Cb 1.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.46 2key h SER 80 CO 0.17 0.14 -0.75 0.71 -1.14 0.00 0.00 176.83 175.95 2key h THR 81 N 0.00 1.33 -0.15 -2.27 1.35 -1.56 -2.86 112.91 108.77 2key h THR 81 Ca -0.00 -2.07 -0.08 0.00 -0.55 0.00 0.00 66.41 63.72 2key h THR 81 Cb 0.53 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 2key h THR 81 CO 0.02 0.64 -0.25 0.40 -0.25 0.00 0.00 175.52 176.08 2key h ILE 82 N 0.39 1.24 -0.07 6.82 2.04 -1.50 -2.31 117.51 124.12 2key h ILE 82 Ca -0.04 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 2key h ILE 82 Cb 1.35 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 2key h ILE 82 CO 0.14 0.34 -0.01 0.50 0.00 0.00 0.00 178.15 179.12 2key h LYS 83 N 0.24 0.10 -0.55 2.37 3.11 -1.04 0.96 116.57 121.76 2key h LYS 83 Ca 0.04 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.78 2key h LYS 83 Cb 0.57 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.76 2key h LYS 83 CO 0.04 0.13 0.01 0.82 -2.81 0.00 0.00 179.45 177.63 2key h ILE 84 N 0.10 1.26 -0.01 2.00 1.08 -1.22 0.30 117.51 121.02 2key h ILE 84 Ca 0.03 -1.08 -0.00 0.00 -0.39 0.00 0.00 64.86 63.41 2key h ILE 84 Cb 0.10 0.83 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 2key h ILE 84 CO 0.00 0.39 -0.01 0.22 -0.69 0.00 0.00 178.15 178.06 2key h TYR 85 N 0.86 0.02 -0.39 1.37 3.20 -1.11 -2.26 116.97 118.67 2key h TYR 85 Ca 0.16 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2key h TYR 85 Cb 0.50 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2key h TYR 85 CO 0.03 0.46 0.25 0.28 -1.64 0.00 0.00 178.16 177.54 2key h VAL 86 N -0.41 1.11 -0.94 1.81 2.07 -0.78 -2.01 116.25 117.09 2key h VAL 86 Ca 0.00 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2key h VAL 86 Cb 0.45 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2key h VAL 86 CO 0.00 0.10 0.62 0.28 0.02 0.00 0.00 177.57 178.60 2key h SER 87 N 0.52 1.07 -0.69 0.57 0.02 -0.42 0.10 113.55 114.73 2key h SER 87 Ca 0.14 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2key h SER 87 Cb -0.05 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 2key h SER 87 CO -0.03 0.76 0.26 0.00 -1.14 0.00 0.00 176.83 176.68 2key h ALA 88 N 1.42 1.12 0.00 3.77 0.00 -1.05 -1.76 119.26 122.76 2key h ALA 88 Ca 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2key h ALA 88 Cb -0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 2key h ALA 88 CO -0.08 0.62 -0.10 0.00 0.00 0.00 0.00 179.25 179.68 2key h ALA 89 N 1.24 1.02 -0.12 0.00 0.00 -0.48 -2.84 119.26 118.08 2key h ALA 89 Ca 0.23 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 2key h ALA 89 Cb 0.24 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2key h ALA 89 CO -0.02 0.13 -0.64 0.82 0.00 0.00 0.00 179.25 179.55 2key h ILE 90 N 0.00 1.32 -0.05 0.00 2.04 0.03 0.19 117.51 121.04 2key h ILE 90 Ca -0.00 -1.90 -0.05 0.00 1.00 0.00 0.00 64.86 63.91 2key h ILE 90 Cb 0.63 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2key h ILE 90 CO 0.01 0.59 -0.17 0.11 0.00 0.00 0.00 178.15 178.69 2key h LYS 91 N 0.31 0.20 -0.64 2.37 6.56 -1.33 -3.41 116.57 120.64 2key h LYS 91 Ca -0.04 -0.15 -0.33 0.00 -1.06 0.00 0.00 60.65 59.07 2key h LYS 91 Cb 1.28 0.03 -0.22 0.00 -0.57 0.00 0.00 32.23 32.74 2key h LYS 91 CO 0.13 0.78 -0.69 1.63 -2.06 0.00 0.00 179.45 179.24 2key n LYS 92 N -4.59 0.82 0.00 3.15 5.02 -1.08 -5.04 118.16 116.44 2key n LYS 92 Ca -0.08 -2.25 0.00 0.00 -2.02 0.00 0.00 58.31 53.96 2key n LYS 92 Cb 0.41 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 2key n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2key n GLY 93 N 1.26 0.13 0.00 0.72 0.00 -0.11 -4.77 105.19 102.42 2key n GLY 93 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.60 0.00 -2.87 1.61 9.36 0.47 -5.01 117.16 120.12 2key n TYR 94 Ca 0.00 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.82 2key n TYR 94 Cb 0.00 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.65 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 0.00 4.66 -0.11 2.98 -1.94 -0.81 -4.98 119.30 119.11 2key s MET 95 Ca 0.00 1.29 -0.27 0.00 -1.71 0.00 0.00 55.69 55.00 2key s MET 95 Cb 0.00 -3.31 -0.26 0.00 2.01 0.00 0.00 34.83 33.27 2key s MET 95 CO 0.00 0.44 0.86 0.93 -0.01 0.00 0.00 175.02 177.24 2key h GLU 96 N 4.76 0.06 -4.07 2.03 4.39 -1.89 -3.37 114.58 116.50 2key h GLU 96 Ca -0.45 -0.09 -0.26 0.00 0.34 0.00 0.00 59.36 58.90 2key h GLU 96 Cb 1.21 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.81 2key h GLU 96 CO 0.69 0.98 -0.17 -0.80 -1.16 0.00 0.00 179.01 178.54 2key s ASN 97 N -6.29 0.85 0.18 1.42 -0.87 -1.26 -4.96 114.94 104.01 2key s ASN 97 Ca -0.18 -1.46 -0.13 0.00 -1.57 0.00 0.00 52.86 49.52 2key s ASN 97 Cb -0.02 0.67 -0.07 0.00 -0.02 0.00 0.00 41.25 41.81 2key s ASN 97 CO 0.71 -1.31 0.57 1.51 -2.57 0.00 0.00 177.10 176.02 2key s ASP 98 N -3.22 6.79 0.50 -1.22 -4.77 -1.26 -4.96 116.67 108.52 2key s ASP 98 Ca 0.30 1.07 0.34 0.00 -3.30 0.00 0.00 52.55 50.96 2key s ASP 98 Cb -0.01 -2.29 1.64 0.00 -1.09 0.00 0.00 42.92 41.17 2key s ASP 98 CO 0.20 0.03 2.02 1.55 0.70 0.00 0.00 175.17 179.67 2key h PRO 99 N 3.21 0.00 0.00 2.11 0.13 -1.93 -1.86 132.00 133.66 2key h PRO 99 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.67 0.00 0.00 0.74 -0.23 0.00 0.00 178.00 179.18 2key h PHE 100 N 0.00 0.00 -0.32 1.56 -1.00 -1.93 -0.68 116.94 114.56 2key h PHE 100 Ca 0.00 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 2key h PHE 100 Cb 0.23 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 2key h PHE 100 CO 0.00 0.00 -0.31 -0.22 -1.61 0.00 0.00 178.31 176.17 2key h LYS 101 N 0.00 0.69 -0.41 1.51 3.11 -1.73 -3.07 116.57 116.67 2key h LYS 101 Ca 0.00 -0.32 0.00 0.00 -2.81 0.00 0.00 60.65 57.52 2key h LYS 101 Cb 0.77 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.99 2key h LYS 101 CO 0.00 0.92 0.00 -3.47 -2.81 0.00 0.00 179.45 174.09 2key n ASP 102 N -4.07 3.28 -4.54 4.20 2.03 -1.04 -4.65 116.55 111.75 2key n ASP 102 Ca -0.01 -1.93 -0.43 0.00 0.52 0.00 0.00 54.79 52.94 2key n ASP 102 Cb 0.48 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 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 1.21 4.67 0.00 -0.67 7.35 -0.29 -4.46 117.46 125.27 2key n PHE 103 Ca 0.17 -2.90 0.00 0.00 -0.76 0.00 0.00 57.45 53.96 2key n PHE 103 Cb 0.53 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 37.78 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 5.21 2.21 2.86 7.13 0.00 -1.26 -4.98 105.19 116.37 2key n GLY 104 Ca 0.48 -0.74 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 2key n GLY 104 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2key n LEU 105 N 0.00 -6.56 -4.75 0.99 7.94 -1.26 -4.98 117.00 108.38 2key n LEU 105 Ca 0.00 1.17 -0.29 0.00 -1.11 0.00 0.00 56.01 55.78 2key n LEU 105 Cb 0.00 -2.79 0.15 0.00 0.53 0.00 0.00 43.42 41.31 2key n LEU 105 CO 0.00 -2.73 0.69 -1.61 -1.11 0.00 0.00 177.39 172.63 2key s GLU 106 N -1.37 0.83 -0.54 1.96 2.02 -1.26 -4.43 118.70 115.90 2key s GLU 106 Ca -0.01 0.34 -0.08 0.00 0.02 0.00 0.00 54.97 55.23 2key s GLU 106 Cb 0.00 -1.80 0.01 0.00 0.10 0.00 0.00 34.13 32.44 2key s GLU 106 CO 0.54 -2.42 0.61 1.58 0.02 0.00 0.00 175.26 175.59 2key n HIS 107 N -3.93 -3.08 -3.92 1.61 -0.00 -1.26 -5.08 115.22 99.56 2key n HIS 107 Ca 0.06 1.21 -0.10 0.00 0.46 0.00 0.00 57.72 59.35 2key n HIS 107 Cb 0.59 -3.97 -0.12 0.00 -0.12 0.00 0.00 29.99 26.37 2key n HIS 107 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2key s HIS 108 N -2.75 0.11 0.01 1.57 -3.43 -1.26 -5.10 115.29 104.44 2key s HIS 108 Ca 0.13 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.16 2key s HIS 108 Cb -0.04 -0.09 0.00 0.00 -1.43 0.00 0.00 32.58 31.02 2key s HIS 108 CO 0.72 -0.14 0.00 0.72 -2.00 0.00 0.00 174.74 174.04 2key n HIS 109 N 2.12 -1.50 -3.21 0.38 8.25 -1.26 -5.00 115.22 115.01 2key n HIS 109 Ca -0.19 0.08 -0.15 0.00 -0.26 0.00 0.00 57.72 57.20 2key n HIS 109 Cb 0.57 -0.05 0.08 0.00 1.12 0.00 0.00 29.99 31.70 2key n HIS 109 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2key n HIS 110 N -0.88 -1.96 0.08 4.41 -0.00 -1.26 -4.93 115.22 110.68 2key n HIS 110 Ca 0.00 0.81 -0.16 0.00 -0.00 0.00 0.00 57.72 58.37 2key n HIS 110 Cb 0.03 -4.55 -0.08 0.00 -0.00 0.00 0.00 29.99 25.38 2key n HIS 110 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2key h HIS 111 N -1.52 0.71 0.00 4.41 3.86 -2.04 -3.55 115.15 117.02 2key h HIS 111 Ca -0.52 -0.42 0.00 0.00 -1.16 0.00 0.00 60.37 58.27 2key h HIS 111 Cb 1.29 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.70 2key h HIS 111 CO 0.36 1.27 0.00 -2.39 0.86 0.00 0.00 177.93 178.03