#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 1.80 0.00 6.12 3.41 -1.26 -4.99 113.62 118.70 1sym n SER 1 Ca 0.00 -0.10 -0.01 0.00 -0.26 0.00 0.00 58.87 58.50 1sym n SER 1 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1sym n SER 1 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1sym h GLU 2 N 0.00 -0.04 0.43 4.33 4.57 -2.05 -3.14 114.58 118.68 1sym h GLU 2 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1sym h GLU 2 Cb 0.00 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1sym h GLU 2 CO 0.00 -0.03 -0.36 1.25 -1.18 0.00 0.00 179.01 178.69 1sym h LEU 3 N -0.29 -0.95 -1.65 1.64 5.85 -1.98 -1.28 115.31 116.64 1sym h LEU 3 Ca -0.00 0.07 0.43 0.00 0.84 0.00 0.00 57.88 59.22 1sym h LEU 3 Cb 0.03 0.31 -0.10 0.00 0.37 0.00 0.00 40.66 41.27 1sym h LEU 3 CO 0.01 -0.52 0.96 -0.08 -0.34 0.00 0.00 178.44 178.46 1sym h GLU 4 N -0.79 0.09 0.25 1.25 4.22 -1.98 0.54 114.58 118.16 1sym h GLU 4 Ca -0.04 -0.01 -0.34 0.00 0.08 0.00 0.00 59.36 59.05 1sym h GLU 4 Cb 0.69 -0.02 0.04 0.00 0.50 0.00 0.00 28.75 29.95 1sym h GLU 4 CO -0.02 0.06 -1.53 -0.22 -2.18 0.00 0.00 179.01 175.12 1sym h LYS 5 N 0.09 0.53 0.00 1.92 1.63 -1.25 -3.09 116.57 116.41 1sym h LYS 5 Ca 0.77 -0.90 -0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1sym h LYS 5 Cb 2.65 0.34 0.00 0.00 -0.60 0.00 0.00 32.23 34.61 1sym h LYS 5 CO -0.23 1.43 -0.00 0.00 -3.45 0.00 0.00 179.45 177.20 1sym h ALA 6 N 0.14 -0.01 -0.66 5.00 0.00 0.94 -1.99 119.26 122.69 1sym h ALA 6 Ca -0.27 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.76 1sym h ALA 6 Cb 2.17 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.84 1sym h ALA 6 CO 0.27 -0.01 -0.26 1.98 0.00 0.00 0.00 179.25 181.22 1sym h MET 7 N -0.44 -0.08 -0.69 0.00 1.85 -0.59 0.23 114.93 115.22 1sym h MET 7 Ca -0.00 0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.04 1sym h MET 7 Cb 0.00 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.02 1sym h MET 7 CO 0.00 -0.05 0.20 0.28 -0.40 0.00 0.00 176.91 176.94 1sym h VAL 8 N -0.08 1.25 -1.00 -5.77 2.07 -1.62 -2.48 116.25 108.63 1sym h VAL 8 Ca 0.29 -0.90 0.11 0.00 0.82 0.00 0.00 66.70 67.03 1sym h VAL 8 Cb 0.54 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 1sym h VAL 8 CO -0.71 0.35 0.63 0.00 0.02 0.00 0.00 177.57 177.85 1sym h ALA 9 N 1.18 1.52 -0.25 1.67 0.00 0.22 -1.19 119.26 122.42 1sym h ALA 9 Ca 0.22 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1sym h ALA 9 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1sym h ALA 9 CO -0.01 0.24 0.10 1.25 0.00 0.00 0.00 179.25 180.84 1sym h LEU 10 N 1.00 0.13 -1.84 0.00 6.46 -0.79 0.34 115.31 120.62 1sym h LEU 10 Ca 0.48 0.02 0.23 0.00 -0.12 0.00 0.00 57.88 58.50 1sym h LEU 10 Cb 0.45 -0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 1sym h LEU 10 CO -0.25 0.11 0.61 0.40 -0.62 0.00 0.00 178.44 178.69 1sym h ILE 11 N 0.23 0.60 0.81 4.05 5.03 -1.18 -1.28 117.51 125.76 1sym h ILE 11 Ca 0.11 -0.04 -0.04 0.00 -0.12 0.00 0.00 64.86 64.77 1sym h ILE 11 Cb 0.06 0.47 0.01 0.00 -3.03 0.00 0.00 36.82 34.32 1sym h ILE 11 CO -0.10 0.02 -0.39 -0.78 -0.68 0.00 0.00 178.15 176.23 1sym h ASP 12 N 0.13 -0.92 -0.96 1.72 3.58 -0.64 -2.33 116.42 117.01 1sym h ASP 12 Ca 0.43 0.02 0.25 0.00 0.42 0.00 0.00 57.03 58.15 1sym h ASP 12 Cb 1.48 0.24 -0.13 0.00 1.72 0.00 0.00 39.33 42.64 1sym h ASP 12 CO -0.06 -0.63 0.49 0.58 -2.88 0.00 0.00 179.24 176.74 1sym h VAL 13 N -1.13 0.44 0.43 2.25 2.07 -1.08 0.46 116.25 119.69 1sym h VAL 13 Ca -0.11 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1sym h VAL 13 Cb 0.84 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1sym h VAL 13 CO 0.18 0.08 -0.21 0.15 0.02 0.00 0.00 177.57 177.79 1sym h PHE 14 N 0.43 -0.53 0.00 1.57 3.04 -1.25 -1.24 116.94 118.95 1sym h PHE 14 Ca 0.63 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.57 1sym h PHE 14 Cb 1.27 0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.95 1sym h PHE 14 CO -0.07 -0.30 0.00 1.58 -2.02 0.00 0.00 178.31 177.49 1sym n HIS 15 N -5.32 0.00 -0.02 0.41 -0.00 -0.36 -2.27 115.22 107.67 1sym n HIS 15 Ca -0.11 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.85 1sym n HIS 15 Cb 0.26 -0.25 -0.13 0.00 -0.12 0.00 0.00 29.99 29.75 1sym n HIS 15 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1sym n GLN 16 N -1.25 0.72 -0.03 1.57 -0.06 0.01 -2.99 117.38 115.35 1sym n GLN 16 Ca 0.07 0.30 -0.08 0.00 -2.00 0.00 0.00 57.00 55.30 1sym n GLN 16 Cb 0.11 -1.70 -0.07 0.00 -4.06 0.00 0.00 30.24 24.52 1sym n GLN 16 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 1sym h TYR 17 N -0.12 -0.05 -0.20 3.69 -1.99 -1.06 -3.30 116.97 113.94 1sym h TYR 17 Ca -0.43 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.30 1sym h TYR 17 Cb 1.90 0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.65 1sym h TYR 17 CO 0.07 0.43 0.00 0.45 -0.00 0.00 0.00 178.16 179.12 1sym n SER 18 N -4.75 2.64 -0.76 3.88 2.88 -0.96 -3.69 113.62 112.86 1sym n SER 18 Ca -0.06 -2.32 0.06 0.00 -1.33 0.00 0.00 58.87 55.22 1sym n SER 18 Cb 0.24 -0.56 0.17 0.00 -0.75 0.00 0.00 64.21 63.32 1sym n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sym n GLY 19 N 0.23 4.36 0.00 0.46 0.00 -1.16 -3.58 105.19 105.51 1sym n GLY 19 Ca 0.10 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1sym n GLY 19 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1sym n ARG 20 N -0.82 0.00 0.00 1.61 1.85 -1.24 -4.87 116.66 113.19 1sym n ARG 20 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 1sym n ARG 20 Cb 0.78 -0.07 0.00 0.00 -1.05 0.00 0.00 32.46 32.12 1sym n ARG 20 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1sym n GLU 21 N -0.69 0.00 -0.58 2.89 0.28 -1.24 -5.06 120.64 116.24 1sym n GLU 21 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.82 1sym n GLU 21 Cb 0.00 0.00 0.16 0.00 1.43 0.00 0.00 31.44 33.03 1sym n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1sym n GLY 22 N 4.03 -2.81 2.17 -1.84 0.00 -1.26 -4.98 105.19 100.50 1sym n GLY 22 Ca 0.00 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1sym n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sym n ASP 23 N -4.23 -2.70 -4.14 1.61 9.92 -1.26 -4.65 116.55 111.09 1sym n ASP 23 Ca 0.09 -0.37 -0.21 0.00 -0.53 0.00 0.00 54.79 53.77 1sym n ASP 23 Cb 0.36 -0.57 -0.01 0.00 -0.64 0.00 0.00 41.12 40.26 1sym n ASP 23 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1sym n LYS 24 N -1.89 0.91 -0.85 -1.24 5.02 -1.23 -4.56 118.16 114.31 1sym n LYS 24 Ca 0.06 -2.67 0.00 0.00 -2.02 0.00 0.00 58.31 53.68 1sym n LYS 24 Cb 0.25 0.37 0.00 0.00 -0.02 0.00 0.00 35.03 35.64 1sym n LYS 24 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1sym n HIS 25 N -1.38 0.00 -3.74 2.13 -0.00 -1.26 -4.91 115.22 106.05 1sym n HIS 25 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.54 1sym n HIS 25 Cb 0.48 -1.45 -0.09 0.00 -0.00 0.00 0.00 29.99 28.93 1sym n HIS 25 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 1sym s LYS 26 N -1.30 0.61 0.00 1.57 -2.85 -1.26 -4.58 119.74 111.93 1sym s LYS 26 Ca 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 55.97 55.04 1sym s LYS 26 Cb 0.00 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1sym s LYS 26 CO 0.00 -0.15 0.00 -0.11 0.10 0.00 0.00 175.35 175.19 1sym n LEU 27 N 1.80 0.00 -3.89 2.77 7.94 -1.02 -4.69 117.00 119.91 1sym n LEU 27 Ca -0.19 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.63 1sym n LEU 27 Cb 0.57 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.44 1sym n LEU 27 CO 0.19 0.00 -0.11 -0.54 -1.11 0.00 0.00 177.39 175.83 1sym s LYS 28 N 1.58 0.88 0.42 1.96 1.02 -1.26 -2.09 119.74 122.25 1sym s LYS 28 Ca 0.00 -1.02 0.26 0.00 0.02 0.00 0.00 55.97 55.23 1sym s LYS 28 Cb 0.00 0.34 0.73 0.00 -0.52 0.00 0.00 37.83 38.37 1sym s LYS 28 CO 0.00 -0.28 1.74 0.87 -0.92 0.00 0.00 175.35 176.76 1sym h LYS 29 N 2.75 0.00 0.12 1.68 1.57 -1.36 0.35 116.57 121.68 1sym h LYS 29 Ca -0.34 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.27 1sym h LYS 29 Cb 1.20 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.53 1sym h LYS 29 CO 0.56 0.00 -0.76 1.03 -0.57 0.00 0.00 179.45 179.71 1sym h SER 30 N 0.00 0.39 1.78 0.86 0.87 0.45 -0.84 113.55 117.06 1sym h SER 30 Ca 0.00 -0.95 -0.01 0.00 -1.23 0.00 0.00 61.79 59.60 1sym h SER 30 Cb 0.79 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1sym h SER 30 CO 0.00 1.36 -0.07 -0.08 -0.53 0.00 0.00 176.83 177.51 1sym h GLU 31 N -0.46 0.00 0.09 2.24 4.57 -1.80 -1.72 114.58 117.49 1sym h GLU 31 Ca -0.14 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.86 1sym h GLU 31 Cb 1.56 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.17 1sym h GLU 31 CO 0.12 0.07 -0.76 1.25 -1.18 0.00 0.00 179.01 178.51 1sym h LEU 32 N 0.00 0.52 -0.62 1.64 5.85 -0.97 0.17 115.31 121.90 1sym h LEU 32 Ca -0.00 -0.87 -0.01 0.00 0.84 0.00 0.00 57.88 57.84 1sym h LEU 32 Cb 0.98 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1sym h LEU 32 CO 0.01 1.34 0.34 0.50 -0.34 0.00 0.00 178.44 180.29 1sym h LYS 33 N -0.23 0.86 -0.15 1.25 3.11 -1.11 -1.32 116.57 118.99 1sym h LYS 33 Ca -0.12 -0.10 -0.11 0.00 -2.81 0.00 0.00 60.65 57.51 1sym h LYS 33 Cb 1.54 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 32.59 1sym h LYS 33 CO 0.15 0.65 -0.38 0.93 -2.81 0.00 0.00 179.45 177.99 1sym h GLU 34 N 0.84 0.32 -1.00 1.90 4.39 -1.34 -0.84 114.58 118.85 1sym h GLU 34 Ca 0.22 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 59.81 1sym h GLU 34 Cb 0.04 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.63 1sym h GLU 34 CO -0.04 0.65 0.65 1.25 -1.16 0.00 0.00 179.01 180.37 1sym h LEU 35 N 0.27 1.09 0.00 1.33 7.12 0.47 0.04 115.31 125.62 1sym h LEU 35 Ca 0.03 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 1sym h LEU 35 Cb 0.79 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1sym h LEU 35 CO 0.06 0.74 -0.07 0.40 -0.13 0.00 0.00 178.44 179.44 1sym h ILE 36 N 1.26 0.14 0.00 4.05 2.04 -1.05 -2.53 117.51 121.42 1sym h ILE 36 Ca 0.40 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1sym h ILE 36 Cb 0.01 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1sym h ILE 36 CO -0.13 0.05 0.00 -3.20 0.00 0.00 0.00 178.15 174.87 1sym n ASN 37 N -4.75 0.00 -0.03 1.72 2.85 -0.35 -0.75 115.26 113.96 1sym n ASN 37 Ca -0.02 0.15 -0.07 0.00 -0.11 0.00 0.00 54.58 54.53 1sym n ASN 37 Cb 0.07 -0.19 -0.02 0.00 1.24 0.00 0.00 39.78 40.88 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 -1.19 1.24 -1.97 1.20 4.05 -0.00 -4.37 115.26 114.22 1sym n ASN 38 Ca 0.01 0.19 -0.05 0.00 0.45 0.00 0.00 54.58 55.19 1sym n ASN 38 Cb 0.01 -0.45 0.31 0.00 1.23 0.00 0.00 39.78 40.88 1sym n ASN 38 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1sym n GLU 39 N -3.77 3.77 0.01 1.20 4.71 -0.95 -4.52 120.64 121.09 1sym n GLU 39 Ca -0.12 -2.97 0.00 0.00 -0.01 0.00 0.00 57.16 54.06 1sym n GLU 39 Cb 0.38 -2.20 0.00 0.00 -1.01 0.00 0.00 31.44 28.61 1sym n GLU 39 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1sym n LEU 40 N -0.05 -0.04 0.15 -4.62 0.00 0.07 -4.81 117.00 107.70 1sym n LEU 40 Ca 0.39 0.04 0.15 0.00 0.00 0.00 0.00 56.01 56.59 1sym n LEU 40 Cb 1.35 0.09 0.50 0.00 0.00 0.00 0.00 43.42 45.36 1sym n LEU 40 CO 0.42 -0.51 1.14 -1.28 0.00 0.00 0.00 177.39 177.15 1sym h SER 41 N 0.00 0.00 -1.52 1.96 0.87 -1.41 -2.05 113.55 111.40 1sym h SER 41 Ca 0.00 0.00 0.47 0.00 -1.23 0.00 0.00 61.79 61.03 1sym h SER 41 Cb 0.00 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.87 1sym h SER 41 CO 0.00 0.00 1.06 1.57 -0.53 0.00 0.00 176.83 178.93 1sym n HIS 42 N -3.06 0.23 -3.75 2.24 -0.00 -1.26 -3.68 115.22 105.95 1sym n HIS 42 Ca 0.07 0.23 -0.24 0.00 -0.00 0.00 0.00 57.72 57.78 1sym n HIS 42 Cb 0.87 -0.66 -0.17 0.00 -0.00 0.00 0.00 29.99 30.03 1sym n HIS 42 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 1sym s PHE 43 N -4.76 0.69 0.00 1.57 -0.71 -0.77 -4.97 117.98 109.03 1sym s PHE 43 Ca -0.05 -0.32 0.00 0.00 -1.04 0.00 0.00 56.93 55.52 1sym s PHE 43 Cb 0.25 -0.83 0.00 0.00 -1.21 0.00 0.00 43.02 41.22 1sym s PHE 43 CO 0.75 -0.40 0.00 -0.11 -1.34 0.00 0.00 175.22 174.12 1sym n LEU 44 N 5.14 0.00 -1.95 -1.99 7.94 -1.24 -4.99 117.00 119.90 1sym n LEU 44 Ca -0.07 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.80 1sym n LEU 44 Cb 0.49 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.44 1sym n LEU 44 CO 0.11 0.00 -0.03 -0.62 -1.11 0.00 0.00 177.39 175.74 1sym n GLU 45 N 0.00 -2.17 0.00 1.96 1.02 -1.26 -4.49 120.64 115.70 1sym n GLU 45 Ca 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1sym n GLU 45 Cb 0.00 -4.46 0.00 0.00 -0.02 0.00 0.00 31.44 26.96 1sym n GLU 45 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sym n GLU 46 N -2.03 0.00 -2.47 3.49 1.02 -1.26 -5.11 120.64 114.29 1sym n GLU 46 Ca -0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.09 1sym n GLU 46 Cb 0.35 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.75 1sym n GLU 46 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sym n ILE 47 N -0.75-12.53 -0.01 -3.67 5.41 -1.26 -4.95 119.36 101.61 1sym n ILE 47 Ca 0.00 2.85 0.07 0.00 1.00 0.00 0.00 62.75 66.68 1sym n ILE 47 Cb 0.00 -6.06 -0.11 0.00 -0.71 0.00 0.00 39.64 32.76 1sym n ILE 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1sym n LYS 48 N 1.83 0.45 -1.93 0.38 3.00 -1.23 -4.68 118.16 115.98 1sym n LYS 48 Ca -0.18 -0.13 -0.42 0.00 -0.00 0.00 0.00 58.31 57.58 1sym n LYS 48 Cb 0.28 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 33.96 1sym n LYS 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1sym n GLU 49 N -2.01 3.13 0.18 1.64 -0.58 -1.26 -4.72 120.64 117.02 1sym n GLU 49 Ca -0.03 -2.92 0.16 0.00 -0.42 0.00 0.00 57.16 53.95 1sym n GLU 49 Cb 0.39 -3.16 0.60 0.00 -0.57 0.00 0.00 31.44 28.70 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 5.89 0.00 0.19 3.49 4.15 -1.94 0.14 115.11 127.03 1sym h GLN 50 Ca 0.51 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.66 1sym h GLN 50 Cb 0.63 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.35 1sym h GLN 50 CO 1.80 0.00 -1.24 1.49 -1.93 0.00 0.00 178.83 178.95 1sym h GLU 51 N 0.00 0.40 -0.30 1.69 4.81 -1.96 -1.20 114.58 118.02 1sym h GLU 51 Ca 0.13 -0.69 -0.17 0.00 -0.13 0.00 0.00 59.36 58.50 1sym h GLU 51 Cb 1.35 0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.99 1sym h GLU 51 CO -0.00 1.33 -0.49 0.28 -0.73 0.00 0.00 179.01 179.40 1sym h VAL 52 N -0.12 1.28 0.00 0.32 2.07 -1.12 0.70 116.25 119.38 1sym h VAL 52 Ca -0.23 -1.67 -0.19 0.00 0.82 0.00 0.00 66.70 65.44 1sym h VAL 52 Cb 1.91 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 1sym h VAL 52 CO 0.19 0.55 -0.91 0.58 0.02 0.00 0.00 177.57 178.00 1sym h VAL 53 N 0.66 1.43 0.00 2.57 2.07 -1.45 -3.03 116.25 118.49 1sym h VAL 53 Ca 0.02 -3.05 -0.03 0.00 0.82 0.00 0.00 66.70 64.46 1sym h VAL 53 Cb 1.10 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 1sym h VAL 53 CO 0.11 0.81 -0.32 -0.78 0.02 0.00 0.00 177.57 177.41 1sym h ASP 54 N 0.00 0.00 -0.02 0.57 3.58 -1.18 -0.45 116.42 118.92 1sym h ASP 54 Ca -0.03 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.29 1sym h ASP 54 Cb 1.68 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.74 1sym h ASP 54 CO 0.11 0.15 -0.53 0.50 -2.88 0.00 0.00 179.24 176.60 1sym h LYS 55 N 0.00 0.39 0.14 0.28 3.11 -0.84 0.19 116.57 119.83 1sym h LYS 55 Ca -0.01 -0.39 -0.28 0.00 -2.81 0.00 0.00 60.65 57.16 1sym h LYS 55 Cb 1.13 0.11 0.01 0.00 -1.00 0.00 0.00 32.23 32.47 1sym h LYS 55 CO 0.02 1.06 -1.28 -0.39 -2.81 0.00 0.00 179.45 176.05 1sym h VAL 56 N -0.14 1.46 0.00 2.00 -1.51 -1.60 -2.88 116.25 113.58 1sym h VAL 56 Ca -0.06 -3.03 -0.06 0.00 -1.23 0.00 0.00 66.70 62.32 1sym h VAL 56 Cb 1.23 2.94 -0.01 0.00 -2.13 0.00 0.00 31.29 33.33 1sym h VAL 56 CO 0.10 0.88 -0.30 -0.03 -1.23 0.00 0.00 177.57 177.00 1sym h MET 57 N 0.08 0.00 0.04 5.19 1.85 -1.15 -1.17 114.93 119.78 1sym h MET 57 Ca -0.15 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.94 1sym h MET 57 Cb 1.99 0.00 0.00 0.00 0.43 0.00 0.00 31.60 34.02 1sym h MET 57 CO 0.21 0.30 -0.02 0.93 -0.40 0.00 0.00 176.91 177.93 1sym h GLU 58 N 0.00 -0.05 0.00 0.39 4.39 -0.59 -1.63 114.58 117.09 1sym h GLU 58 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1sym h GLU 58 Cb 0.85 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1sym h GLU 58 CO 0.04 0.58 -0.12 1.15 -1.16 0.00 0.00 179.01 179.50 1sym h THR 59 N -0.76 0.50 0.15 1.13 2.02 -1.49 0.90 112.91 115.36 1sym h THR 59 Ca -0.01 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1sym h THR 59 Cb 0.65 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1sym h THR 59 CO 0.01 0.11 -0.07 -0.07 0.37 0.00 0.00 175.52 175.87 1sym h LEU 60 N 0.00 -0.17 -0.08 2.58 3.38 -1.12 -3.06 115.31 116.84 1sym h LEU 60 Ca -0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1sym h LEU 60 Cb 0.37 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1sym h LEU 60 CO 0.02 0.31 0.00 -0.67 0.09 0.00 0.00 178.44 178.18 1sym n ASP 61 N -4.96 0.23 0.02 -0.43 2.03 -0.62 -1.21 116.55 111.62 1sym n ASP 61 Ca -0.08 0.53 -0.11 0.00 0.52 0.00 0.00 54.79 55.65 1sym n ASP 61 Cb 0.26 -0.59 0.02 0.00 -0.72 0.00 0.00 41.12 40.09 1sym n ASP 61 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1sym h GLU 62 N 0.00 0.52 -0.24 -0.67 4.81 -0.73 -3.39 114.58 114.88 1sym h GLU 62 Ca 0.00 -0.39 -0.26 0.00 -0.13 0.00 0.00 59.36 58.58 1sym h GLU 62 Cb 0.47 0.07 -0.19 0.00 0.63 0.00 0.00 28.75 29.73 1sym h GLU 62 CO 0.00 1.02 -0.52 -0.25 -0.73 0.00 0.00 179.01 178.52 1sym n ASP 63 N -3.89 -1.65 -0.48 1.04 8.00 -1.18 -4.96 116.55 113.43 1sym n ASP 63 Ca -0.04 -3.09 0.42 0.00 0.71 0.00 0.00 54.79 52.78 1sym n ASP 63 Cb 0.68 1.19 0.65 0.00 -0.02 0.00 0.00 41.12 43.63 1sym n ASP 63 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1sym h GLY 64 N 2.61 0.00 -3.68 0.44 0.00 -1.37 0.90 103.07 101.96 1sym h GLY 64 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.76 1sym h GLY 64 CO 0.11 0.00 0.52 1.34 0.00 0.00 0.00 176.54 178.51 1sym n ASP 65 N -3.63 6.74 -4.87 0.19 -0.08 -1.26 0.11 116.55 113.75 1sym n ASP 65 Ca 0.35 -3.23 -0.22 0.00 -1.51 0.00 0.00 54.79 50.17 1sym n ASP 65 Cb 1.79 -1.06 -0.03 0.00 2.34 0.00 0.00 41.12 44.17 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 -0.23 2.19 -0.18 0.27 0.00 0.31 -4.93 107.32 104.75 1sym s GLY 66 Ca 0.40 -1.81 -0.06 0.00 0.00 0.00 0.00 44.72 43.26 1sym s GLY 66 CO -0.03 -1.77 0.02 -0.54 0.00 0.00 0.00 173.10 170.78 1sym s GLU 67 N -4.15 3.79 0.44 2.90 2.02 -1.26 -1.97 118.70 120.47 1sym s GLU 67 Ca 0.45 -0.44 0.08 0.00 0.02 0.00 0.00 54.97 55.07 1sym s GLU 67 Cb -0.02 -3.09 -0.00 0.00 0.10 0.00 0.00 34.13 31.12 1sym s GLU 67 CO 0.26 0.20 0.44 0.00 0.02 0.00 0.00 175.26 176.18 1sym n ASP 69 N -1.67 2.23 0.10 0.00 9.92 -1.26 -2.44 116.55 123.44 1sym n ASP 69 Ca 0.05 -2.39 -0.16 0.00 -0.53 0.00 0.00 54.79 51.76 1sym n ASP 69 Cb 0.62 -0.07 -0.13 0.00 -0.64 0.00 0.00 41.12 40.90 1sym n ASP 69 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1sym h PHE 70 N 0.55 0.50 0.00 1.24 -5.15 -1.98 -1.83 116.94 110.28 1sym h PHE 70 Ca -0.26 -0.36 -0.13 0.00 -0.20 0.00 0.00 57.97 57.03 1sym h PHE 70 Cb 0.96 -0.02 -0.02 0.00 0.22 0.00 0.00 35.95 37.09 1sym h PHE 70 CO 0.00 1.27 -0.60 1.96 -2.00 0.00 0.00 178.31 178.93 1sym h GLN 71 N 0.09 0.00 0.01 6.09 4.20 -1.98 -2.51 115.11 121.01 1sym h GLN 71 Ca -0.13 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1sym h GLN 71 Cb 1.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.71 1sym h GLN 71 CO 0.20 0.60 -0.00 0.93 -0.67 0.00 0.00 178.83 179.89 1sym h GLU 72 N 0.00 -0.01 0.00 1.46 4.39 -1.95 -1.87 114.58 116.60 1sym h GLU 72 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1sym h GLU 72 Cb 1.39 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1sym h GLU 72 CO 0.08 0.82 -0.02 0.35 -1.16 0.00 0.00 179.01 179.07 1sym h PHE 73 N -0.92 0.00 0.00 4.33 3.04 -1.42 0.30 116.94 122.27 1sym h PHE 73 Ca -0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1sym h PHE 73 Cb 0.83 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.34 1sym h PHE 73 CO 0.22 0.02 -0.02 0.52 -2.02 0.00 0.00 178.31 177.04 1sym h MET 74 N 0.00 0.00 0.00 1.11 2.86 -1.44 -2.98 114.93 114.48 1sym h MET 74 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sym h MET 74 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1sym h MET 74 CO 0.00 0.45 0.00 0.00 1.06 0.00 0.00 176.91 178.43 1sym h ALA 75 N -0.55 1.00 0.07 6.32 0.00 -1.13 -2.26 119.26 122.71 1sym h ALA 75 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1sym h ALA 75 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.28 1sym h ALA 75 CO -0.00 0.00 -1.16 0.35 0.00 0.00 0.00 179.25 178.44 1sym h PHE 76 N 0.00 0.96 0.00 0.00 3.57 -1.00 -2.81 116.94 117.66 1sym h PHE 76 Ca 0.00 -0.58 -0.09 0.00 3.53 0.00 0.00 57.97 60.84 1sym h PHE 76 Cb 0.26 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1sym h PHE 76 CO 0.00 1.42 -0.41 0.28 -2.23 0.00 0.00 178.31 177.37 1sym h VAL 77 N 0.30 1.05 0.05 1.41 2.07 -1.25 -3.12 116.25 116.77 1sym h VAL 77 Ca -0.16 -1.52 -0.21 0.00 0.82 0.00 0.00 66.70 65.63 1sym h VAL 77 Cb 1.82 1.88 0.02 0.00 -1.52 0.00 0.00 31.29 33.49 1sym h VAL 77 CO 0.22 0.40 -0.86 0.77 0.02 0.00 0.00 177.57 178.12 1sym h SER 78 N 0.00 0.67 -0.47 0.57 4.64 -1.51 -2.41 113.55 115.03 1sym h SER 78 Ca -0.00 -0.81 0.04 0.00 -0.47 0.00 0.00 61.79 60.55 1sym h SER 78 Cb 0.85 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.69 1sym h SER 78 CO 0.05 1.40 0.24 0.24 -0.87 0.00 0.00 176.83 177.89 1sym h MET 79 N 0.02 0.47 -0.17 4.77 2.07 -1.48 -1.03 114.93 119.58 1sym h MET 79 Ca -0.12 -0.03 -0.09 0.00 -2.07 0.00 0.00 59.70 57.39 1sym h MET 79 Cb 1.58 -0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 31.20 1sym h MET 79 CO 0.17 0.31 -0.23 -0.39 1.07 0.00 0.00 176.91 177.84 1sym h VAL 80 N 0.48 1.35 0.00 -2.22 -1.51 -1.63 0.68 116.25 113.39 1sym h VAL 80 Ca 0.20 -1.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.24 1sym h VAL 80 Cb 0.10 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 1sym h VAL 80 CO -0.13 0.43 0.00 0.41 -1.23 0.00 0.00 177.57 177.05 1sym n THR 81 N -4.44 1.16 -0.85 7.19 -1.04 -0.91 -1.93 114.28 113.45 1sym n THR 81 Ca -0.06 0.29 0.02 0.00 -2.04 0.00 0.00 64.05 62.26 1sym n THR 81 Cb 0.42 -1.13 0.03 0.00 -1.82 0.00 0.00 70.33 67.83 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 -1.43 0.68 -0.12 12.58 -2.24 -0.41 -4.87 114.28 118.47 1sym n THR 82 Ca 0.03 -0.75 -0.08 0.00 -2.27 0.00 0.00 64.05 60.98 1sym n THR 82 Cb 0.10 0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 1sym n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sym h ALA 83 N 0.00 -0.56 0.00 6.98 0.00 0.11 -3.48 119.26 122.30 1sym h ALA 83 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sym h ALA 83 Cb 0.90 1.02 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1sym h ALA 83 CO 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 179.25 178.50 1sym n HIS 85 N 7.72 0.00 -2.00 0.00 -0.00 -1.26 -3.56 115.22 116.13 1sym n HIS 85 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1sym n HIS 85 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1sym n HIS 85 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 1sym s GLU 86 N 0.00 2.40 -0.38 1.57 2.56 -1.26 -4.87 118.70 118.73 1sym s GLU 86 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.97 54.43 1sym s GLU 86 Cb 0.00 -5.10 0.10 0.00 2.00 0.00 0.00 34.13 31.13 1sym s GLU 86 CO 0.00 -3.75 0.14 0.12 -0.56 0.00 0.00 175.26 171.21 1sym s PHE 87 N 11.05 3.59 -0.93 5.30 5.36 -1.26 -4.80 117.98 136.27 1sym s PHE 87 Ca 0.72 -2.48 -0.10 0.00 -0.96 0.00 0.00 56.93 54.11 1sym s PHE 87 Cb -0.05 -3.00 0.01 0.00 -0.34 0.00 0.00 43.02 39.64 1sym s PHE 87 CO 0.05 -0.95 0.64 1.19 -1.46 0.00 0.00 175.22 174.69 1sym n PHE 88 N 4.52 -1.92 -1.26 10.12 3.72 -1.26 -4.83 117.46 126.55 1sym n PHE 88 Ca -0.02 0.64 -0.24 0.00 -0.05 0.00 0.00 57.45 57.77 1sym n PHE 88 Cb 0.42 -2.86 0.17 0.00 -0.94 0.00 0.00 39.48 36.26 1sym n PHE 88 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1sym n GLU 89 N -3.27 2.29 -1.07 -1.08 4.07 -1.26 -4.85 120.64 115.47 1sym n GLU 89 Ca -0.24 -3.06 -0.02 0.00 -0.06 0.00 0.00 57.16 53.77 1sym n GLU 89 Cb 0.65 -2.17 -0.01 0.00 -0.06 0.00 0.00 31.44 29.84 1sym n GLU 89 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1sym n HIS 90 N -1.12 0.00 -1.09 4.31 -0.00 -1.26 -5.22 115.22 110.84 1sym n HIS 90 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.31 1sym n HIS 90 Cb 1.52 -2.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.51 1sym n HIS 90 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73