#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sym n SER 1 N 0.00 2.40 0.06 7.83 3.41 -1.26 -4.97 113.62 121.09 1sym n SER 1 Ca 0.00 -2.62 -0.20 0.00 -0.26 0.00 0.00 58.87 55.79 1sym n SER 1 Cb 0.00 0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 64.23 1sym n SER 1 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1sym h GLU 2 N 0.00 0.32 -0.00 4.33 4.39 -2.03 -2.79 114.58 118.80 1sym h GLU 2 Ca -0.28 -0.55 -0.07 0.00 0.34 0.00 0.00 59.36 58.80 1sym h GLU 2 Cb 0.92 0.20 0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1sym h GLU 2 CO 0.46 1.26 -0.25 1.25 -1.16 0.00 0.00 179.01 180.57 1sym h LEU 3 N -0.33 0.23 -0.05 1.33 5.85 -1.97 -1.21 115.31 119.17 1sym h LEU 3 Ca -0.15 -0.77 -0.00 0.00 0.84 0.00 0.00 57.88 57.79 1sym h LEU 3 Cb 1.69 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.65 1sym h LEU 3 CO 0.16 0.97 0.01 -0.08 -0.34 0.00 0.00 178.44 179.17 1sym h GLU 4 N -0.49 0.07 -0.25 1.25 4.81 -1.98 0.33 114.58 118.32 1sym h GLU 4 Ca -0.03 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1sym h GLU 4 Cb 1.01 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1sym h GLU 4 CO 0.05 0.26 -0.42 -0.22 -0.73 0.00 0.00 179.01 177.95 1sym h LYS 5 N -0.13 0.61 0.00 1.92 1.63 -1.62 -2.25 116.57 116.73 1sym h LYS 5 Ca 0.01 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 1sym h LYS 5 Cb 0.22 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1sym h LYS 5 CO -0.00 0.91 -0.00 0.00 -3.45 0.00 0.00 179.45 176.91 1sym h ALA 6 N 1.04 0.00 -0.60 5.00 0.00 -1.13 -1.80 119.26 121.77 1sym h ALA 6 Ca 0.04 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.05 1sym h ALA 6 Cb 0.93 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.61 1sym h ALA 6 CO 0.08 0.00 -0.31 1.98 0.00 0.00 0.00 179.25 181.01 1sym h MET 7 N -0.24 -0.14 -0.72 0.00 1.85 -0.48 0.42 114.93 115.63 1sym h MET 7 Ca 0.00 0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.07 1sym h MET 7 Cb 0.00 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.03 1sym h MET 7 CO 0.00 -0.09 0.34 0.28 -0.40 0.00 0.00 176.91 177.04 1sym h VAL 8 N -0.14 1.23 -0.93 -5.77 2.07 -1.44 -1.20 116.25 110.06 1sym h VAL 8 Ca 0.24 -0.65 0.16 0.00 0.82 0.00 0.00 66.70 67.28 1sym h VAL 8 Cb 0.54 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 1sym h VAL 8 CO -0.68 0.27 0.59 0.00 0.02 0.00 0.00 177.57 177.78 1sym h ALA 9 N 1.36 1.83 -0.48 1.67 0.00 0.71 0.23 119.26 124.58 1sym h ALA 9 Ca 0.25 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1sym h ALA 9 Cb 0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1sym h ALA 9 CO -0.03 -0.11 0.16 1.25 0.00 0.00 0.00 179.25 180.52 1sym h LEU 10 N 0.69 0.16 -1.70 0.00 6.46 0.06 0.34 115.31 121.31 1sym h LEU 10 Ca 0.49 0.06 0.10 0.00 -0.12 0.00 0.00 57.88 58.41 1sym h LEU 10 Cb 0.82 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.76 1sym h LEU 10 CO -0.24 0.12 0.39 0.40 -0.62 0.00 0.00 178.44 178.48 1sym h ILE 11 N 0.33 0.88 -0.04 4.05 5.03 -0.54 -1.12 117.51 126.11 1sym h ILE 11 Ca 0.23 -0.12 0.00 0.00 -0.12 0.00 0.00 64.86 64.86 1sym h ILE 11 Cb 0.25 0.51 -0.00 0.00 -3.03 0.00 0.00 36.82 34.55 1sym h ILE 11 CO -0.24 0.06 0.03 -0.78 -0.68 0.00 0.00 178.15 176.53 1sym h ASP 12 N 0.34 0.04 -0.57 1.72 3.58 0.15 -2.52 116.42 119.16 1sym h ASP 12 Ca 0.26 -0.01 0.12 0.00 0.42 0.00 0.00 57.03 57.82 1sym h ASP 12 Cb 0.59 -0.01 -0.10 0.00 1.72 0.00 0.00 39.33 41.52 1sym h ASP 12 CO -0.07 0.04 -0.08 0.58 -2.88 0.00 0.00 179.24 176.83 1sym h VAL 13 N 0.05 0.47 -0.53 2.25 2.07 -0.72 -1.37 116.25 118.47 1sym h VAL 13 Ca 0.01 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1sym h VAL 13 Cb -0.00 0.42 -0.09 0.00 -1.52 0.00 0.00 31.29 30.10 1sym h VAL 13 CO -0.00 0.01 -0.56 0.15 0.02 0.00 0.00 177.57 177.19 1sym h PHE 14 N 0.05 -1.72 -0.77 1.57 3.57 -1.31 0.59 116.94 118.91 1sym h PHE 14 Ca 0.29 0.09 0.14 0.00 3.53 0.00 0.00 57.97 62.02 1sym h PHE 14 Cb 0.45 0.82 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 1sym h PHE 14 CO -0.42 -0.46 0.51 1.25 -2.23 0.00 0.00 178.31 176.95 1sym h HIS 15 N -0.31 0.55 -0.58 0.41 2.76 -1.19 0.12 115.15 116.91 1sym h HIS 15 Ca 0.10 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1sym h HIS 15 Cb 0.56 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 1sym h HIS 15 CO -0.79 0.22 0.24 0.37 -1.30 0.00 0.00 177.93 176.67 1sym h GLN 16 N 0.48 0.84 -0.58 5.26 5.75 0.10 -0.71 115.11 126.26 1sym h GLN 16 Ca 0.38 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 1sym h GLN 16 Cb 0.78 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.18 1sym h GLN 16 CO -0.13 0.69 0.00 0.66 -2.65 0.00 0.00 178.83 177.40 1sym n TYR 17 N -4.33 1.44 -0.07 3.99 4.02 0.13 -4.18 117.16 118.16 1sym n TYR 17 Ca 0.05 -0.65 0.00 0.00 -0.01 0.00 0.00 57.90 57.29 1sym n TYR 17 Cb 0.16 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.21 1sym n TYR 17 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1sym n SER 18 N 0.84 0.23 0.21 7.72 2.88 0.19 -4.65 113.62 121.04 1sym n SER 18 Ca 0.25 -0.57 0.10 0.00 -1.33 0.00 0.00 58.87 57.32 1sym n SER 18 Cb 0.90 0.54 0.18 0.00 -0.75 0.00 0.00 64.21 65.09 1sym n SER 18 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1sym h GLY 19 N 0.00 0.00 0.00 0.46 0.00 -1.32 -3.35 103.07 98.85 1sym h GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sym h GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1sym n ARG 20 N -3.13 1.83 0.00 4.80 5.12 -1.26 -4.96 116.66 119.05 1sym n ARG 20 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1sym n ARG 20 Cb 0.55 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.85 1sym n ARG 20 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1sym n GLU 21 N 0.00 0.00 0.00 5.56 0.00 -1.26 -4.62 120.64 120.32 1sym n GLU 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1sym n GLU 21 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 31.44 31.38 1sym n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sym n GLY 22 N 0.00 2.41 2.01 -1.84 0.00 -1.26 -4.45 105.19 102.07 1sym n GLY 22 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1sym n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sym n ASP 23 N 2.84 -0.35 0.00 1.61 2.03 -1.26 -5.07 116.55 116.34 1sym n ASP 23 Ca 0.00 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1sym n ASP 23 Cb 0.00 0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 1sym n ASP 23 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1sym n LYS 24 N -3.08 0.00 -0.95 -0.67 4.81 -1.26 -4.97 118.16 112.04 1sym n LYS 24 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1sym n LYS 24 Cb 0.00 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.11 1sym n LYS 24 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1sym n HIS 25 N 0.00 0.00 -5.13 5.64 8.25 -1.26 -4.57 115.22 118.16 1sym n HIS 25 Ca 0.00 -0.59 -0.32 0.00 -0.26 0.00 0.00 57.72 56.55 1sym n HIS 25 Cb 0.00 -0.14 -0.17 0.00 1.12 0.00 0.00 29.99 30.80 1sym n HIS 25 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1sym s LYS 26 N -0.83 3.10 0.00 -0.41 -2.85 -1.26 -4.48 119.74 113.01 1sym s LYS 26 Ca 0.26 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.38 1sym s LYS 26 Cb 0.28 -2.36 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 1sym s LYS 26 CO -0.09 0.18 0.00 -0.11 0.10 0.00 0.00 175.35 175.43 1sym n LEU 27 N 3.54 0.00 -4.27 2.77 7.94 -1.15 -4.56 117.00 121.27 1sym n LEU 27 Ca -0.19 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.53 1sym n LEU 27 Cb 0.53 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.39 1sym n LEU 27 CO 0.28 -0.09 -0.14 -0.54 -1.11 0.00 0.00 177.39 175.80 1sym s LYS 28 N 1.34 1.65 0.12 1.96 1.02 -1.26 -1.54 119.74 123.04 1sym s LYS 28 Ca 0.00 -1.95 0.02 0.00 0.02 0.00 0.00 55.97 54.06 1sym s LYS 28 Cb 0.00 0.31 -0.16 0.00 -0.52 0.00 0.00 37.83 37.46 1sym s LYS 28 CO 0.00 -0.60 1.27 0.87 -0.92 0.00 0.00 175.35 175.97 1sym h LYS 29 N 2.23 0.14 0.13 1.68 1.79 -1.59 0.48 116.57 121.43 1sym h LYS 29 Ca -0.27 -0.21 -0.28 0.00 -2.18 0.00 0.00 60.65 57.71 1sym h LYS 29 Cb 1.24 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1sym h LYS 29 CO 0.40 1.05 -1.32 1.03 -1.08 0.00 0.00 179.45 179.53 1sym h SER 30 N 0.06 0.42 1.29 0.86 0.87 -1.85 -1.24 113.55 113.97 1sym h SER 30 Ca -0.06 -0.48 -0.13 0.00 -1.23 0.00 0.00 61.79 59.89 1sym h SER 30 Cb 1.74 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.55 1sym h SER 30 CO 0.15 1.38 -0.72 -0.08 -0.53 0.00 0.00 176.83 177.03 1sym h GLU 31 N 0.07 0.00 0.23 2.24 4.81 -1.90 -2.64 114.58 117.40 1sym h GLU 31 Ca -0.16 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.75 1sym h GLU 31 Cb 1.99 0.00 0.04 0.00 0.63 0.00 0.00 28.75 31.40 1sym h GLU 31 CO 0.20 0.53 -1.37 1.25 -0.73 0.00 0.00 179.01 178.88 1sym h LEU 32 N 0.00 0.80 -0.93 1.64 5.85 -0.95 0.30 115.31 122.03 1sym h LEU 32 Ca -0.03 -0.92 -0.07 0.00 0.84 0.00 0.00 57.88 57.70 1sym h LEU 32 Cb 1.47 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1sym h LEU 32 CO 0.07 1.66 0.03 0.50 -0.34 0.00 0.00 178.44 180.36 1sym h LYS 33 N 0.08 0.81 0.02 1.25 3.11 -1.28 -2.23 116.57 118.33 1sym h LYS 33 Ca -0.24 -0.21 -0.20 0.00 -2.81 0.00 0.00 60.65 57.19 1sym h LYS 33 Cb 2.08 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 33.19 1sym h LYS 33 CO 0.26 0.80 -0.95 1.05 -2.81 0.00 0.00 179.45 177.80 1sym h GLU 34 N 0.76 0.08 -0.65 1.90 -0.00 -1.51 -1.30 114.58 113.86 1sym h GLU 34 Ca 0.15 -0.11 0.08 0.00 -0.00 0.00 0.00 59.36 59.49 1sym h GLU 34 Cb 0.42 0.04 -0.07 0.00 -0.00 0.00 0.00 28.75 29.14 1sym h GLU 34 CO 0.02 0.96 0.32 1.25 -0.00 0.00 0.00 179.01 181.55 1sym h LEU 35 N 0.03 0.41 0.00 3.06 7.12 -0.34 0.29 115.31 125.89 1sym h LEU 35 Ca -0.03 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.03 1sym h LEU 35 Cb 1.64 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.75 1sym h LEU 35 CO 0.13 0.25 -0.06 0.40 -0.13 0.00 0.00 178.44 179.04 1sym h ILE 36 N 0.56 0.00 0.00 4.05 2.04 -1.44 -2.58 117.51 120.13 1sym h ILE 36 Ca 0.32 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1sym h ILE 36 Cb 0.31 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1sym h ILE 36 CO -0.25 0.00 0.14 -3.20 0.00 0.00 0.00 178.15 174.84 1sym n ASN 37 N -4.34 0.10 -0.07 1.72 2.85 -0.50 0.86 115.26 115.88 1sym n ASN 37 Ca -0.01 0.43 -0.10 0.00 -0.11 0.00 0.00 54.58 54.80 1sym n ASN 37 Cb 0.03 -0.43 -0.03 0.00 1.24 0.00 0.00 39.78 40.58 1sym n ASN 37 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1sym n ASN 38 N -1.55 1.74 -1.43 1.20 5.15 0.10 -4.69 115.26 115.78 1sym n ASN 38 Ca -0.00 0.29 -0.10 0.00 -0.60 0.00 0.00 54.58 54.16 1sym n ASN 38 Cb 0.15 -0.66 0.17 0.00 -0.53 0.00 0.00 39.78 38.91 1sym n ASN 38 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1sym n GLU 39 N -4.22 2.09 0.00 1.20 1.02 -0.97 -4.86 120.64 114.90 1sym n GLU 39 Ca -0.17 -3.28 0.00 0.00 -0.02 0.00 0.00 57.16 53.69 1sym n GLU 39 Cb 0.48 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1sym n GLU 39 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1sym n LEU 40 N -1.08 0.00 0.00 -4.62 -0.00 0.16 -4.91 117.00 106.55 1sym n LEU 40 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 1sym n LEU 40 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.49 1sym n LEU 40 CO 0.29 0.00 0.00 -1.20 -0.00 0.00 0.00 177.39 176.48 1sym n SER 41 N -0.31 -3.86 -2.08 1.96 7.64 0.25 -3.36 113.62 113.85 1sym n SER 41 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1sym n SER 41 Cb 0.00 -2.73 0.00 0.00 -1.01 0.00 0.00 64.21 60.47 1sym n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sym n HIS 42 N -2.12 -1.69 -2.45 1.43 1.44 -1.26 -3.24 115.22 107.33 1sym n HIS 42 Ca 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.68 1sym n HIS 42 Cb 0.29 -0.94 -0.02 0.00 0.12 0.00 0.00 29.99 29.44 1sym n HIS 42 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1sym n PHE 43 N -2.06 -4.71 -3.24 -1.40 3.72 -1.21 -4.76 117.46 103.80 1sym n PHE 43 Ca 0.00 2.78 -0.39 0.00 -0.05 0.00 0.00 57.45 59.79 1sym n PHE 43 Cb 0.37 -3.89 -0.06 0.00 -0.94 0.00 0.00 39.48 34.96 1sym n PHE 43 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1sym s LEU 44 N -0.63 4.19 0.00 4.37 0.20 -1.20 -4.76 118.68 120.86 1sym s LEU 44 Ca -0.13 0.77 0.00 0.00 0.69 0.00 0.00 54.13 55.46 1sym s LEU 44 Cb 0.01 -2.75 0.00 0.00 -0.43 0.00 0.00 46.19 43.02 1sym s LEU 44 CO 0.34 -0.14 0.00 -1.84 -0.29 0.00 0.00 176.35 174.43 1sym n GLU 45 N 4.44 0.00 0.07 1.98 0.28 -1.26 -5.03 120.64 121.12 1sym n GLU 45 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1sym n GLU 45 Cb 0.51 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.38 1sym n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1sym n GLU 46 N -1.12 0.00 -2.41 3.44 2.13 -1.26 -5.13 120.64 116.29 1sym n GLU 46 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1sym n GLU 46 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 1sym n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1sym n ILE 47 N -2.91-11.51 0.00 6.31 5.41 -1.26 -4.94 119.36 110.46 1sym n ILE 47 Ca 0.00 2.41 -0.22 0.00 1.00 0.00 0.00 62.75 65.94 1sym n ILE 47 Cb 0.00 -6.09 -0.14 0.00 -0.71 0.00 0.00 39.64 32.70 1sym n ILE 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1sym h LYS 48 N 3.49 0.25 -4.99 0.38 3.64 -1.65 -3.40 116.57 114.28 1sym h LYS 48 Ca -0.47 -0.43 -0.70 0.00 -1.27 0.00 0.00 60.65 57.79 1sym h LYS 48 Cb 1.06 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 1sym h LYS 48 CO 0.01 1.20 2.57 0.39 -2.27 0.00 0.00 179.45 181.36 1sym n GLU 49 N -3.61 3.07 0.30 1.90 -0.58 -0.75 -4.71 120.64 116.26 1sym n GLU 49 Ca -0.31 -3.01 0.16 0.00 -0.42 0.00 0.00 57.16 53.58 1sym n GLU 49 Cb 1.01 -3.38 0.92 0.00 -0.57 0.00 0.00 31.44 29.42 1sym n GLU 49 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1sym h GLN 50 N 6.85 0.00 0.00 3.49 4.15 -1.84 -1.06 115.11 126.70 1sym h GLN 50 Ca 0.50 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.77 1sym h GLN 50 Cb 0.77 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 1sym h GLN 50 CO 1.64 0.04 -0.71 0.93 -1.93 0.00 0.00 178.83 178.80 1sym h GLU 51 N 0.00 0.00 -0.03 1.69 4.39 -1.96 -0.66 114.58 118.01 1sym h GLU 51 Ca -0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1sym h GLU 51 Cb 0.14 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1sym h GLU 51 CO 0.00 0.71 -0.41 0.28 -1.16 0.00 0.00 179.01 178.44 1sym h VAL 52 N 0.00 1.46 0.00 3.13 2.07 -1.59 0.72 116.25 122.04 1sym h VAL 52 Ca -0.01 -1.92 -0.19 0.00 0.82 0.00 0.00 66.70 65.41 1sym h VAL 52 Cb 1.51 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 33.80 1sym h VAL 52 CO 0.09 0.55 -0.90 0.58 0.02 0.00 0.00 177.57 177.91 1sym h VAL 53 N -0.22 1.62 0.00 2.57 2.07 -1.58 -2.39 116.25 118.32 1sym h VAL 53 Ca -0.04 -3.13 -0.05 0.00 0.82 0.00 0.00 66.70 64.29 1sym h VAL 53 Cb 1.11 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.58 1sym h VAL 53 CO 0.08 0.89 -0.25 0.44 0.02 0.00 0.00 177.57 178.75 1sym h ASP 54 N 0.00 0.00 0.00 0.57 5.19 -1.17 -0.44 116.42 120.58 1sym h ASP 54 Ca -0.01 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 1sym h ASP 54 Cb 1.63 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.14 1sym h ASP 54 CO 0.12 0.25 -0.09 0.50 -3.12 0.00 0.00 179.24 176.89 1sym h LYS 55 N 0.00 0.01 -0.10 3.56 3.64 -0.77 -1.60 116.57 121.30 1sym h LYS 55 Ca -0.00 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1sym h LYS 55 Cb 1.16 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1sym h LYS 55 CO 0.03 1.01 -0.23 -0.39 -2.27 0.00 0.00 179.45 177.60 1sym h VAL 56 N -0.98 1.39 0.00 2.00 -1.51 -1.52 -2.69 116.25 112.94 1sym h VAL 56 Ca -0.02 -1.53 -0.01 0.00 -1.23 0.00 0.00 66.70 63.91 1sym h VAL 56 Cb 1.04 2.13 -0.00 0.00 -2.13 0.00 0.00 31.29 32.32 1sym h VAL 56 CO -0.01 0.44 -0.05 -0.03 -1.23 0.00 0.00 177.57 176.69 1sym h MET 57 N -0.11 0.00 0.11 5.19 1.85 -1.22 -1.58 114.93 119.17 1sym h MET 57 Ca 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 1sym h MET 57 Cb 0.82 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.85 1sym h MET 57 CO 0.05 0.05 -0.05 0.93 -0.40 0.00 0.00 176.91 177.49 1sym h GLU 58 N 0.00 -0.14 0.00 0.39 5.08 -0.99 -1.40 114.58 117.52 1sym h GLU 58 Ca -0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1sym h GLU 58 Cb 0.20 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1sym h GLU 58 CO 0.01 0.34 -0.10 1.15 -1.00 0.00 0.00 179.01 179.40 1sym h THR 59 N -0.74 0.83 0.20 1.13 2.02 -1.17 0.33 112.91 115.50 1sym h THR 59 Ca -0.02 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1sym h THR 59 Cb 0.55 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1sym h THR 59 CO 0.02 0.10 -0.09 -0.07 0.37 0.00 0.00 175.52 175.85 1sym h LEU 60 N 0.00 -0.22 -0.01 2.58 3.38 -1.18 -2.70 115.31 117.16 1sym h LEU 60 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1sym h LEU 60 Cb 0.22 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1sym h LEU 60 CO 0.01 0.15 -0.01 -0.67 0.09 0.00 0.00 178.44 178.01 1sym n ASP 61 N -5.05 0.02 -0.01 -0.43 -0.08 -0.54 -2.81 116.55 107.66 1sym n ASP 61 Ca -0.09 0.12 -0.17 0.00 -1.51 0.00 0.00 54.79 53.14 1sym n ASP 61 Cb 0.24 -0.36 -0.14 0.00 2.34 0.00 0.00 41.12 43.20 1sym n ASP 61 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1sym h GLU 62 N 0.02 0.16 0.00 -0.67 4.57 -0.22 -3.42 114.58 115.01 1sym h GLU 62 Ca 0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1sym h GLU 62 Cb 0.39 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1sym h GLU 62 CO 0.00 1.13 0.00 -0.25 -1.18 0.00 0.00 179.01 178.71 1sym n ASP 63 N -4.35 0.00 0.00 1.04 8.00 -1.03 -4.93 116.55 115.28 1sym n ASP 63 Ca -0.13 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1sym n ASP 63 Cb 0.67 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1sym n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sym n GLY 64 N 1.84 1.76 1.51 0.44 0.00 -1.12 -4.57 105.19 105.04 1sym n GLY 64 Ca 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1sym n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sym n ASP 65 N 2.00 3.81 -4.98 1.61 -0.08 -1.26 -3.31 116.55 114.33 1sym n ASP 65 Ca 0.00 -3.81 -0.18 0.00 -1.51 0.00 0.00 54.79 49.29 1sym n ASP 65 Cb 0.00 -0.45 -0.00 0.00 2.34 0.00 0.00 41.12 43.01 1sym n ASP 65 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1sym s GLY 66 N -3.34 1.84 -0.16 0.27 0.00 -1.26 -4.93 107.32 99.74 1sym s GLY 66 Ca 0.47 -1.62 -0.04 0.00 0.00 0.00 0.00 44.72 43.54 1sym s GLY 66 CO -0.00 -1.47 -0.04 -1.83 0.00 0.00 0.00 173.10 169.75 1sym s GLU 67 N -4.25 3.65 0.51 2.90 4.04 -1.26 -1.98 118.70 122.31 1sym s GLU 67 Ca 0.50 -0.53 0.02 0.00 0.04 0.00 0.00 54.97 55.00 1sym s GLU 67 Cb -0.09 -2.90 0.02 0.00 0.02 0.00 0.00 34.13 31.18 1sym s GLU 67 CO 0.32 0.23 0.72 0.00 -1.84 0.00 0.00 175.26 174.69 1sym n ASP 69 N -2.22 1.12 -0.02 0.00 8.00 -1.26 -2.94 116.55 119.23 1sym n ASP 69 Ca 0.06 -0.11 -0.22 0.00 0.71 0.00 0.00 54.79 55.23 1sym n ASP 69 Cb 0.59 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.56 1sym n ASP 69 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1sym h PHE 70 N 0.06 0.36 0.00 1.24 0.04 -2.00 -3.11 116.94 113.53 1sym h PHE 70 Ca 0.00 -0.26 -0.03 0.00 2.80 0.00 0.00 57.97 60.47 1sym h PHE 70 Cb 0.00 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 1sym h PHE 70 CO 0.00 1.64 -0.16 1.96 -0.60 0.00 0.00 178.31 181.15 1sym h GLN 71 N -0.31 0.00 0.03 1.51 4.20 -1.97 -2.13 115.11 116.44 1sym h GLN 71 Ca -0.37 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 1sym h GLN 71 Cb 1.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.55 1sym h GLN 71 CO 0.01 0.16 -0.02 0.93 -0.67 0.00 0.00 178.83 179.24 1sym h GLU 72 N 0.00 -0.04 0.00 1.46 4.39 -1.96 -1.85 114.58 116.57 1sym h GLU 72 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sym h GLU 72 Cb 0.71 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1sym h GLU 72 CO 0.02 0.55 -0.02 0.35 -1.16 0.00 0.00 179.01 178.74 1sym h PHE 73 N -0.96 0.00 0.00 4.33 3.57 -1.57 0.13 116.94 122.44 1sym h PHE 73 Ca -0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1sym h PHE 73 Cb 0.61 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 1sym h PHE 73 CO 0.16 0.02 -0.02 1.98 -2.23 0.00 0.00 178.31 178.22 1sym h MET 74 N 0.00 0.00 0.00 1.11 4.05 -1.41 -2.64 114.93 116.04 1sym h MET 74 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1sym h MET 74 Cb 0.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 1sym h MET 74 CO 0.00 0.70 0.00 0.00 0.23 0.00 0.00 176.91 177.84 1sym h ALA 75 N -0.31 1.00 0.24 0.39 0.00 -1.13 -2.85 119.26 116.60 1sym h ALA 75 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1sym h ALA 75 Cb 0.71 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.53 1sym h ALA 75 CO -0.00 0.00 -1.49 0.74 0.00 0.00 0.00 179.25 178.50 1sym h PHE 76 N 0.00 0.93 0.00 0.00 -1.00 -0.81 -2.90 116.94 113.16 1sym h PHE 76 Ca 0.00 -0.68 -0.05 0.00 2.81 0.00 0.00 57.97 60.05 1sym h PHE 76 Cb 0.42 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 1sym h PHE 76 CO 0.00 1.57 -0.25 0.28 -1.61 0.00 0.00 178.31 178.30 1sym h VAL 77 N 0.11 0.80 0.21 -0.55 2.07 -1.25 -3.08 116.25 114.56 1sym h VAL 77 Ca -0.27 -1.03 -0.28 0.00 0.82 0.00 0.00 66.70 65.94 1sym h VAL 77 Cb 2.13 1.63 0.03 0.00 -1.52 0.00 0.00 31.29 33.56 1sym h VAL 77 CO 0.25 0.25 -1.27 0.28 0.02 0.00 0.00 177.57 177.10 1sym h SER 78 N 0.00 0.68 -0.97 0.57 0.02 -1.57 -2.88 113.55 109.41 1sym h SER 78 Ca -0.00 -0.93 0.01 0.00 -0.84 0.00 0.00 61.79 60.03 1sym h SER 78 Cb 0.61 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1sym h SER 78 CO 0.03 1.61 0.64 0.24 -1.14 0.00 0.00 176.83 178.21 1sym h MET 79 N -0.06 1.27 -0.01 3.45 2.07 -1.45 -2.85 114.93 117.35 1sym h MET 79 Ca -0.23 -0.08 -0.18 0.00 -2.07 0.00 0.00 59.70 57.14 1sym h MET 79 Cb 1.97 -0.29 0.01 0.00 -1.87 0.00 0.00 31.60 31.43 1sym h MET 79 CO 0.22 0.84 -0.71 -0.39 1.07 0.00 0.00 176.91 177.94 1sym h VAL 80 N 1.31 1.38 0.00 -2.22 -1.51 -1.65 -1.49 116.25 112.06 1sym h VAL 80 Ca 0.36 -2.10 0.00 0.00 -1.23 0.00 0.00 66.70 63.73 1sym h VAL 80 Cb -0.14 2.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 1sym h VAL 80 CO -0.08 0.62 0.00 0.41 -1.23 0.00 0.00 177.57 177.29 1sym n THR 81 N -4.12 1.76 -0.08 7.19 -1.04 -1.09 -1.39 114.28 115.51 1sym n THR 81 Ca -0.10 0.44 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1sym n THR 81 Cb 0.72 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 1sym n THR 81 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sym n THR 82 N -1.48 0.00 1.25 12.58 -2.24 -1.09 -4.62 114.28 118.69 1sym n THR 82 Ca 0.01 -0.46 0.11 0.00 -2.27 0.00 0.00 64.05 61.44 1sym n THR 82 Cb 0.03 1.08 0.61 0.00 -2.10 0.00 0.00 70.33 69.96 1sym n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sym n ALA 83 N -0.00 2.25 -2.16 6.98 0.00 -0.49 -4.77 120.51 122.32 1sym n ALA 83 Ca 0.00 -0.13 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 1sym n ALA 83 Cb 0.02 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.15 1sym n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sym n HIS 85 N -2.42 0.00 0.04 0.00 -0.00 -1.26 -4.38 115.22 107.20 1sym n HIS 85 Ca 0.03 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.17 1sym n HIS 85 Cb 0.57 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.35 1sym n HIS 85 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1sym h GLU 86 N 0.00 0.00 -5.85 1.57 9.09 -1.96 -3.47 114.58 113.96 1sym h GLU 86 Ca 0.00 0.00 -0.41 0.00 0.05 0.00 0.00 59.36 59.00 1sym h GLU 86 Cb 0.00 0.00 -0.24 0.00 -1.65 0.00 0.00 28.75 26.86 1sym h GLU 86 CO 0.00 0.60 -0.60 1.97 0.05 0.00 0.00 179.01 181.03 1sym n PHE 87 N -3.13 -0.77 0.00 2.06 -1.74 -1.26 -4.57 117.46 108.05 1sym n PHE 87 Ca -0.07 0.44 0.00 0.00 -0.56 0.00 0.00 57.45 57.26 1sym n PHE 87 Cb 0.92 -1.31 0.00 0.00 1.52 0.00 0.00 39.48 40.61 1sym n PHE 87 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 1sym n PHE 88 N -2.91 0.00 -2.52 2.97 3.72 -1.26 -5.04 117.46 112.42 1sym n PHE 88 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 1sym n PHE 88 Cb 0.32 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.83 1sym n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1sym s GLU 89 N -1.35 4.52 0.00 -1.08 2.56 -1.26 -4.90 118.70 117.18 1sym s GLU 89 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 54.97 56.64 1sym s GLU 89 Cb 0.00 -3.35 0.00 0.00 2.00 0.00 0.00 34.13 32.78 1sym s GLU 89 CO 0.00 -0.09 0.65 -2.39 -0.56 0.00 0.00 175.26 172.87 1sym n HIS 90 N 3.40 0.00 0.69 5.30 1.44 -1.26 -5.12 115.22 119.66 1sym n HIS 90 Ca 0.06 -0.19 0.08 0.00 -2.01 0.00 0.00 57.72 55.66 1sym n HIS 90 Cb 0.47 -0.02 0.07 0.00 0.12 0.00 0.00 29.99 30.63 1sym n HIS 90 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62