#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sym s SER 1 N 0.00 1.73 0.13 6.12 0.15 -1.26 -5.04 113.70 115.54 1sym s SER 1 Ca 0.00 -0.99 0.08 0.00 0.70 0.00 0.00 55.95 55.73 1sym s SER 1 Cb 0.00 -0.00 -0.17 0.00 -1.71 0.00 0.00 66.02 64.14 1sym s SER 1 CO 0.00 -0.33 1.30 -0.08 1.20 0.00 0.00 173.24 175.34 1sym h GLU 2 N 2.88 0.00 -0.10 5.44 4.57 -2.03 -2.35 114.58 122.98 1sym h GLU 2 Ca -0.37 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.63 1sym h GLU 2 Cb 1.19 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1sym h GLU 2 CO 0.62 0.96 -0.67 1.25 -1.18 0.00 0.00 179.01 179.99 1sym h LEU 3 N 0.00 0.76 0.06 1.64 5.85 -1.97 -0.69 115.31 120.96 1sym h LEU 3 Ca -0.01 -0.66 -0.00 0.00 0.84 0.00 0.00 57.88 58.05 1sym h LEU 3 Cb 1.72 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.53 1sym h LEU 3 CO 0.12 1.30 -0.03 -0.08 -0.34 0.00 0.00 178.44 179.42 1sym h GLU 4 N 0.27 -0.07 -0.07 1.25 4.22 -1.99 -0.62 114.58 117.57 1sym h GLU 4 Ca -0.06 0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.32 1sym h GLU 4 Cb 1.32 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1sym h GLU 4 CO 0.14 0.50 -0.29 -0.22 -2.18 0.00 0.00 179.01 176.96 1sym h LYS 5 N -0.73 0.12 0.00 1.92 3.64 -1.54 -1.56 116.57 118.43 1sym h LYS 5 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1sym h LYS 5 Cb 0.61 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1sym h LYS 5 CO 0.01 0.41 -0.01 0.00 -2.27 0.00 0.00 179.45 177.59 1sym h ALA 6 N 1.60 0.00 -0.14 5.00 0.00 -1.16 -2.49 119.26 122.07 1sym h ALA 6 Ca 0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1sym h ALA 6 Cb 0.57 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1sym h ALA 6 CO 0.04 0.01 -0.20 1.98 0.00 0.00 0.00 179.25 181.08 1sym h MET 7 N -0.67 -0.24 0.00 0.00 1.85 -1.20 0.71 114.93 115.38 1sym h MET 7 Ca 0.00 0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.09 1sym h MET 7 Cb 0.01 0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.09 1sym h MET 7 CO 0.00 -0.16 -0.07 0.28 -0.40 0.00 0.00 176.91 176.56 1sym h VAL 8 N -0.25 0.86 -0.57 -5.77 2.07 -1.42 -1.47 116.25 109.70 1sym h VAL 8 Ca 0.10 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1sym h VAL 8 Cb 0.40 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1sym h VAL 8 CO -0.29 0.07 -0.00 0.00 0.02 0.00 0.00 177.57 177.37 1sym h ALA 9 N 1.93 0.91 -0.04 1.67 0.00 -0.41 -1.95 119.26 121.36 1sym h ALA 9 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1sym h ALA 9 Cb 0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sym h ALA 9 CO 0.01 0.65 0.03 -0.07 0.00 0.00 0.00 179.25 179.87 1sym h LEU 10 N 0.92 0.00 -0.80 0.00 3.38 -0.32 0.14 115.31 118.63 1sym h LEU 10 Ca 0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 1sym h LEU 10 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1sym h LEU 10 CO 0.03 0.00 -0.54 0.40 0.09 0.00 0.00 178.44 178.42 1sym h ILE 11 N 0.00 1.37 0.63 1.22 5.03 -1.31 -1.37 117.51 123.09 1sym h ILE 11 Ca 0.02 -1.83 -0.03 0.00 -0.12 0.00 0.00 64.86 62.89 1sym h ILE 11 Cb 0.08 1.93 0.01 0.00 -3.03 0.00 0.00 36.82 35.80 1sym h ILE 11 CO -0.00 0.54 -0.30 -0.78 -0.68 0.00 0.00 178.15 176.92 1sym h ASP 12 N 0.13 -0.72 0.35 1.72 1.82 -0.58 -2.04 116.42 117.10 1sym h ASP 12 Ca 0.00 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1sym h ASP 12 Cb 0.99 0.19 -0.02 0.00 0.68 0.00 0.00 39.33 41.16 1sym h ASP 12 CO 0.08 -0.38 -0.36 1.62 -1.61 0.00 0.00 179.24 178.58 1sym h VAL 13 N -1.06 0.25 -1.39 2.25 3.04 -1.47 -0.74 116.25 117.13 1sym h VAL 13 Ca -0.09 0.00 0.43 0.00 -1.01 0.00 0.00 66.70 66.03 1sym h VAL 13 Cb 0.69 0.25 -0.11 0.00 -2.01 0.00 0.00 31.29 30.12 1sym h VAL 13 CO 0.14 0.00 0.93 0.15 -1.01 0.00 0.00 177.57 177.78 1sym h PHE 14 N -0.75 0.40 -0.01 3.17 3.57 -1.26 0.40 116.94 122.45 1sym h PHE 14 Ca -0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1sym h PHE 14 Cb 0.68 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1sym h PHE 14 CO -0.21 -0.12 -0.07 1.25 -2.23 0.00 0.00 178.31 176.92 1sym h HIS 15 N 0.09 0.10 -0.91 0.41 2.76 -0.40 -0.88 115.15 116.33 1sym h HIS 15 Ca 0.79 -0.05 0.21 0.00 -2.20 0.00 0.00 60.37 59.12 1sym h HIS 15 Cb 2.63 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 31.51 1sym h HIS 15 CO -0.00 0.74 0.60 0.37 -1.30 0.00 0.00 177.93 178.34 1sym h GLN 16 N -0.57 0.38 0.12 5.26 5.75 0.56 0.16 115.11 126.76 1sym h GLN 16 Ca -0.01 -0.02 -0.29 0.00 -0.15 0.00 0.00 58.65 58.19 1sym h GLN 16 Cb 0.76 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.22 1sym h GLN 16 CO 0.02 0.25 -1.36 1.88 -2.65 0.00 0.00 178.83 176.97 1sym h TYR 17 N 0.39 0.46 -0.54 3.99 0.05 -1.24 -3.27 116.97 116.81 1sym h TYR 17 Ca 0.48 -0.34 -0.19 0.00 0.05 0.00 0.00 58.73 58.73 1sym h TYR 17 Cb 1.21 -0.02 -0.11 0.00 1.01 0.00 0.00 36.73 38.82 1sym h TYR 17 CO -0.00 1.31 0.24 0.43 -1.05 0.00 0.00 178.16 179.09 1sym n SER 18 N -3.49 3.82 -0.40 3.88 7.64 0.15 -3.89 113.62 121.34 1sym n SER 18 Ca -0.11 -2.88 0.04 0.00 1.01 0.00 0.00 58.87 56.93 1sym n SER 18 Cb 1.03 -0.68 0.07 0.00 -1.01 0.00 0.00 64.21 63.62 1sym n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sym n GLY 19 N -0.14 0.92 3.48 0.23 0.00 0.31 -4.28 105.19 105.70 1sym n GLY 19 Ca 0.31 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1sym n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sym s ARG 20 N -0.83 3.54 0.17 1.61 0.52 -1.25 -4.96 118.95 117.76 1sym s ARG 20 Ca 0.13 -1.49 0.00 0.00 -0.52 0.00 0.00 55.73 53.85 1sym s ARG 20 Cb 0.08 -4.93 0.00 0.00 0.52 0.00 0.00 34.95 30.61 1sym s ARG 20 CO 0.11 -1.88 0.00 -0.85 0.02 0.00 0.00 175.30 172.70 1sym n GLU 21 N 7.25 0.00 0.00 3.54 0.28 -1.26 -4.88 120.64 125.57 1sym n GLU 21 Ca 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 1sym n GLU 21 Cb 0.49 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.36 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 0.00 -0.64 0.00 -1.84 0.00 -1.26 -4.54 105.19 96.91 1sym n GLY 22 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.28 0.00 0.00 1.61 9.92 -1.26 -4.99 116.55 120.55 1sym n ASP 23 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1sym n ASP 23 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1sym n ASP 23 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1sym n LYS 24 N 0.00 0.00 -2.59 -1.24 3.00 -1.26 -5.00 118.16 111.06 1sym n LYS 24 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 1sym n LYS 24 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.05 1sym n LYS 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1sym n HIS 25 N 0.00 1.96 -3.69 5.64 -0.00 -1.26 -4.53 115.22 113.34 1sym n HIS 25 Ca 0.00 -2.88 -0.16 0.00 -0.00 0.00 0.00 57.72 54.69 1sym n HIS 25 Cb 0.00 -0.27 -0.15 0.00 -0.00 0.00 0.00 29.99 29.57 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 -3.29 0.06 0.00 -0.41 0.00 -1.26 -4.40 119.74 110.44 1sym s LYS 26 Ca 0.35 0.53 0.00 0.00 0.00 0.00 0.00 55.97 56.84 1sym s LYS 26 Cb 0.43 -0.23 0.00 0.00 0.00 0.00 0.00 37.83 38.04 1sym s LYS 26 CO -0.04 -0.27 0.00 1.28 0.00 0.00 0.00 175.35 176.32 1sym n LEU 27 N 5.01 0.00 0.00 2.77 4.77 -0.44 -4.84 117.00 124.26 1sym n LEU 27 Ca -0.11 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.79 1sym n LEU 27 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1sym n LEU 27 CO 0.08 -0.07 -0.02 0.29 -1.33 0.00 0.00 177.39 176.34 1sym n LYS 28 N -0.14 0.22 0.04 3.23 5.02 -1.26 -1.47 118.16 123.80 1sym n LYS 28 Ca 0.00 -1.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.80 1sym n LYS 28 Cb 0.00 1.26 -0.07 0.00 -0.02 0.00 0.00 35.03 36.20 1sym n LYS 28 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1sym h LYS 29 N 0.00 0.00 0.10 1.97 1.79 -1.60 -2.63 116.57 116.20 1sym h LYS 29 Ca -0.11 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.22 1sym h LYS 29 Cb 0.55 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.22 1sym h LYS 29 CO 0.16 0.31 -0.63 0.66 -1.08 0.00 0.00 179.45 178.87 1sym h SER 30 N 0.00 0.33 1.26 0.86 4.64 -1.80 -1.32 113.55 117.53 1sym h SER 30 Ca -0.15 -0.96 -0.05 0.00 -0.47 0.00 0.00 61.79 60.17 1sym h SER 30 Cb 1.57 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 1sym h SER 30 CO 0.05 1.30 -0.22 -0.08 -0.87 0.00 0.00 176.83 177.01 1sym h GLU 31 N -0.55 0.00 0.06 4.77 4.81 -1.89 -2.66 114.58 119.12 1sym h GLU 31 Ca -0.11 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.94 1sym h GLU 31 Cb 1.47 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.87 1sym h GLU 31 CO 0.10 0.22 -0.71 1.25 -0.73 0.00 0.00 179.01 179.14 1sym h LEU 32 N 0.00 0.52 -0.86 1.64 5.85 -1.52 0.20 115.31 121.13 1sym h LEU 32 Ca -0.00 -0.84 0.06 0.00 0.84 0.00 0.00 57.88 57.94 1sym h LEU 32 Cb 0.91 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 1sym h LEU 32 CO 0.03 1.31 0.54 0.50 -0.34 0.00 0.00 178.44 180.47 1sym h LYS 33 N -0.20 0.95 -0.02 1.25 3.64 -1.15 -0.31 116.57 120.73 1sym h LYS 33 Ca -0.11 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.03 1sym h LYS 33 Cb 1.47 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 1sym h LYS 33 CO 0.14 0.63 -0.79 1.05 -2.27 0.00 0.00 179.45 178.20 1sym h GLU 34 N 0.97 0.22 -0.77 1.90 -0.00 -1.50 -2.13 114.58 113.28 1sym h GLU 34 Ca 0.38 -0.21 0.07 0.00 -0.00 0.00 0.00 59.36 59.60 1sym h GLU 34 Cb 0.18 0.05 -0.06 0.00 -0.00 0.00 0.00 28.75 28.92 1sym h GLU 34 CO -0.18 0.90 0.45 1.25 -0.00 0.00 0.00 179.01 181.43 1sym h LEU 35 N 0.14 0.66 0.03 3.06 7.12 0.74 0.67 115.31 127.73 1sym h LEU 35 Ca -0.03 0.03 -0.06 0.00 0.13 0.00 0.00 57.88 57.95 1sym h LEU 35 Cb 1.38 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.41 1sym h LEU 35 CO 0.12 0.41 -0.29 0.40 -0.13 0.00 0.00 178.44 178.95 1sym h ILE 36 N 0.79 1.65 0.00 4.05 2.04 -1.26 -2.97 117.51 121.81 1sym h ILE 36 Ca 0.35 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.85 1sym h ILE 36 Cb 0.25 3.23 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 1sym h ILE 36 CO -0.20 0.60 0.00 -3.20 0.00 0.00 0.00 178.15 175.35 1sym n ASN 37 N -4.50 0.00 0.00 1.72 2.85 -0.81 0.06 115.26 114.59 1sym n ASN 37 Ca -0.13 -0.91 0.00 0.00 -0.11 0.00 0.00 54.58 53.43 1sym n ASN 37 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 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 -0.98 0.00 -0.48 1.20 5.15 0.23 -4.16 115.26 116.23 1sym n ASN 38 Ca 0.20 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.21 1sym n ASN 38 Cb 0.09 -0.12 0.09 0.00 -0.53 0.00 0.00 39.78 39.31 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 -2.13 1.59 0.00 1.20 1.02 -1.12 -3.76 120.64 117.43 1sym n GLU 39 Ca 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 57.16 56.42 1sym n GLU 39 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.09 0.39 -4.58 -4.62 -0.00 -0.96 -4.91 117.00 102.41 1sym n LEU 40 Ca 0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.77 1sym n LEU 40 Cb 0.25 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.62 1sym n LEU 40 CO 0.05 0.07 1.56 -0.55 -0.00 0.00 0.00 177.39 178.52 1sym s SER 41 N -2.46 5.38 0.00 1.96 0.15 0.11 -4.35 113.70 114.49 1sym s SER 41 Ca 0.00 -1.68 0.00 0.00 0.70 0.00 0.00 55.95 54.97 1sym s SER 41 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1sym s SER 41 CO 0.00 -2.69 0.00 1.57 1.20 0.00 0.00 173.24 173.32 1sym n HIS 42 N 13.21 0.00 -2.32 3.44 -0.00 -1.26 -4.75 115.22 123.54 1sym n HIS 42 Ca 0.45 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 58.20 1sym n HIS 42 Cb 0.47 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.48 1sym n HIS 42 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 1sym n PHE 43 N -0.85 0.00 -3.86 1.57 -1.74 -1.26 -5.08 117.46 106.24 1sym n PHE 43 Ca 0.00 -0.46 -0.34 0.00 -0.56 0.00 0.00 57.45 56.09 1sym n PHE 43 Cb 0.00 -0.14 -0.05 0.00 1.52 0.00 0.00 39.48 40.81 1sym n PHE 43 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1sym s LEU 44 N -0.23 4.37 0.00 5.98 0.20 -1.26 -4.79 118.68 122.95 1sym s LEU 44 Ca 0.27 0.43 0.00 0.00 0.69 0.00 0.00 54.13 55.52 1sym s LEU 44 Cb 0.31 -2.58 0.00 0.00 -0.43 0.00 0.00 46.19 43.49 1sym s LEU 44 CO -0.13 0.27 0.00 -1.84 -0.29 0.00 0.00 176.35 174.37 1sym n GLU 45 N 1.11 0.00 0.00 1.98 0.28 -1.26 -4.98 120.64 117.76 1sym n GLU 45 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 1sym n GLU 45 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 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 -0.50 0.72 -2.03 3.44 2.13 -1.26 -5.13 120.64 118.00 1sym n GLU 46 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1sym n GLU 46 Cb 0.00 -0.86 0.00 0.00 0.27 0.00 0.00 31.44 30.85 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 -2.05-11.44 -0.04 6.31 5.41 -1.26 -4.93 119.36 111.35 1sym n ILE 47 Ca 0.00 2.65 -0.22 0.00 1.00 0.00 0.00 62.75 66.19 1sym n ILE 47 Cb 0.36 -5.41 -0.13 0.00 -0.71 0.00 0.00 39.64 33.75 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 3.50 0.15 -5.41 0.38 1.63 -1.41 -3.41 116.57 111.99 1sym h LYS 48 Ca 0.00 -0.25 -0.67 0.00 -0.85 0.00 0.00 60.65 58.88 1sym h LYS 48 Cb 0.00 0.09 -0.07 0.00 -0.60 0.00 0.00 32.23 31.65 1sym h LYS 48 CO 0.00 1.12 2.37 0.39 -3.45 0.00 0.00 179.45 179.88 1sym n GLU 49 N -3.95 3.03 0.31 1.90 -0.58 -1.26 -4.72 120.64 115.38 1sym n GLU 49 Ca -0.31 -3.08 0.19 0.00 -0.42 0.00 0.00 57.16 53.53 1sym n GLU 49 Cb 0.87 -3.46 1.04 0.00 -0.57 0.00 0.00 31.44 29.32 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 7.31 0.00 0.16 3.49 4.15 -1.91 -1.55 115.11 126.76 1sym h GLN 50 Ca 0.47 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.60 1sym h GLN 50 Cb 0.82 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.52 1sym h GLN 50 CO 1.55 0.01 -1.31 0.93 -1.93 0.00 0.00 178.83 178.08 1sym h GLU 51 N 0.00 0.34 -0.12 1.69 5.08 -1.97 -0.96 114.58 118.64 1sym h GLU 51 Ca -0.00 -0.58 -0.13 0.00 -1.00 0.00 0.00 59.36 57.65 1sym h GLU 51 Cb 0.04 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1sym h GLU 51 CO 0.00 1.27 -0.43 0.28 -1.00 0.00 0.00 179.01 179.13 1sym h VAL 52 N 0.09 1.37 0.00 3.13 2.07 -1.69 -0.88 116.25 120.34 1sym h VAL 52 Ca -0.17 -1.74 -0.11 0.00 0.82 0.00 0.00 66.70 65.50 1sym h VAL 52 Cb 2.02 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 33.90 1sym h VAL 52 CO 0.22 0.52 -0.55 0.58 0.02 0.00 0.00 177.57 178.37 1sym h VAL 53 N 0.11 1.02 0.00 2.57 2.07 -1.49 -2.64 116.25 117.89 1sym h VAL 53 Ca -0.02 -2.19 -0.14 0.00 0.82 0.00 0.00 66.70 65.17 1sym h VAL 53 Cb 1.06 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 1sym h VAL 53 CO 0.09 0.53 -0.68 -0.78 0.02 0.00 0.00 177.57 176.76 1sym h ASP 54 N 0.00 0.00 0.13 0.57 3.58 -1.14 -0.53 116.42 119.03 1sym h ASP 54 Ca -0.01 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.26 1sym h ASP 54 Cb 1.28 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.35 1sym h ASP 54 CO 0.07 0.68 -0.81 0.07 -2.88 0.00 0.00 179.24 176.36 1sym h LYS 55 N 0.00 0.28 -0.05 0.28 2.10 -1.08 -1.69 116.57 116.41 1sym h LYS 55 Ca -0.01 -0.48 -0.09 0.00 -2.00 0.00 0.00 60.65 58.08 1sym h LYS 55 Cb 1.41 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.92 1sym h LYS 55 CO 0.09 1.23 -0.31 -0.39 -2.00 0.00 0.00 179.45 178.07 1sym h VAL 56 N -0.40 1.45 0.00 0.07 -1.51 -1.56 -1.91 116.25 112.39 1sym h VAL 56 Ca -0.15 -1.77 -0.02 0.00 -1.23 0.00 0.00 66.70 63.54 1sym h VAL 56 Cb 1.62 2.42 -0.00 0.00 -2.13 0.00 0.00 31.29 33.20 1sym h VAL 56 CO 0.14 0.50 -0.08 -0.03 -1.23 0.00 0.00 177.57 176.87 1sym h MET 57 N -0.23 0.00 0.17 5.19 1.85 -1.23 -0.34 114.93 120.33 1sym h MET 57 Ca -0.02 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.06 1sym h MET 57 Cb 0.98 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.01 1sym h MET 57 CO 0.06 0.08 -0.08 0.93 -0.40 0.00 0.00 176.91 177.50 1sym h GLU 58 N 0.00 -0.22 -0.22 0.39 5.08 -1.12 -1.68 114.58 116.81 1sym h GLU 58 Ca -0.00 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1sym h GLU 58 Cb 0.21 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1sym h GLU 58 CO 0.01 0.11 0.23 1.15 -1.00 0.00 0.00 179.01 179.51 1sym h THR 59 N -0.98 0.51 0.41 1.13 2.02 -1.13 0.71 112.91 115.58 1sym h THR 59 Ca -0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1sym h THR 59 Cb 0.42 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1sym h THR 59 CO 0.04 0.00 -0.20 -0.07 0.37 0.00 0.00 175.52 175.66 1sym h LEU 60 N 0.00 -0.47 -0.07 2.58 3.38 -0.98 -3.03 115.31 116.72 1sym h LEU 60 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sym h LEU 60 Cb 0.56 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1sym h LEU 60 CO -0.00 -0.05 0.00 -0.67 0.09 0.00 0.00 178.44 177.81 1sym n ASP 61 N -5.17 0.11 -0.07 -0.43 2.03 -0.64 -2.86 116.55 109.52 1sym n ASP 61 Ca -0.09 -1.19 -0.12 0.00 0.52 0.00 0.00 54.79 53.91 1sym n ASP 61 Cb 0.28 -0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.57 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 0.16 0.00 0.00 -0.67 4.81 0.51 -3.42 114.58 115.97 1sym h GLU 62 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sym h GLU 62 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1sym h GLU 62 CO 0.00 0.83 -0.61 -0.25 -0.73 0.00 0.00 179.01 178.25 1sym n ASP 63 N -4.63 1.77 0.00 1.04 9.92 -1.19 -4.96 116.55 118.50 1sym n ASP 63 Ca -0.09 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 1sym n ASP 63 Cb 0.41 -0.83 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 1sym n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sym n GLY 64 N 1.58 1.91 1.73 0.44 0.00 -1.14 -4.51 105.19 105.21 1sym n GLY 64 Ca -0.09 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 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 3.00 3.92 -4.38 1.61 2.03 -1.26 -2.62 116.55 118.84 1sym n ASP 65 Ca 0.00 -3.75 -0.24 0.00 0.52 0.00 0.00 54.79 51.32 1sym n ASP 65 Cb 0.00 -0.71 0.13 0.00 -0.72 0.00 0.00 41.12 39.82 1sym n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sym n GLY 66 N -1.05 0.22 3.16 0.27 0.00 -1.26 -4.88 105.19 101.64 1sym n GLY 66 Ca 0.46 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1sym n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sym s GLU 67 N -5.22 2.64 0.17 1.61 -1.05 -1.26 -2.40 118.70 113.19 1sym s GLU 67 Ca 0.67 -0.74 -0.01 0.00 -0.15 0.00 0.00 54.97 54.74 1sym s GLU 67 Cb -0.03 -2.05 -0.04 0.00 -0.44 0.00 0.00 34.13 31.57 1sym s GLU 67 CO 0.45 0.11 0.36 0.00 0.95 0.00 0.00 175.26 177.14 1sym n ASP 69 N -0.40 0.00 -0.06 0.00 8.00 -1.26 -1.33 116.55 121.50 1sym n ASP 69 Ca -0.04 -0.18 -0.22 0.00 0.71 0.00 0.00 54.79 55.05 1sym n ASP 69 Cb 0.53 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.51 1sym n ASP 69 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1sym n PHE 70 N -0.27 0.96 0.24 1.24 -1.74 -1.26 -3.13 117.46 113.49 1sym n PHE 70 Ca 0.00 0.29 0.13 0.00 -0.56 0.00 0.00 57.45 57.32 1sym n PHE 70 Cb 0.00 -1.11 0.38 0.00 1.52 0.00 0.00 39.48 40.27 1sym n PHE 70 CO 0.00 0.00 0.00 -0.56 -0.56 0.00 0.00 176.76 175.64 1sym h GLN 71 N -0.47 0.00 0.10 3.97 -0.00 -1.96 -2.58 115.11 114.17 1sym h GLN 71 Ca -0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.21 1sym h GLN 71 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.17 1sym h GLN 71 CO -0.09 0.05 -0.05 0.93 -0.00 0.00 0.00 178.83 179.67 1sym h GLU 72 N 0.00 -0.13 0.00 0.06 5.08 -1.95 -1.68 114.58 115.96 1sym h GLU 72 Ca -0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1sym h GLU 72 Cb 0.82 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1sym h GLU 72 CO 0.01 0.26 -0.01 0.35 -1.00 0.00 0.00 179.01 178.62 1sym h PHE 73 N -0.97 0.00 0.01 4.33 3.57 -1.60 -0.09 116.94 122.19 1sym h PHE 73 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1sym h PHE 73 Cb 0.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1sym h PHE 73 CO 0.09 0.01 -0.00 0.52 -2.23 0.00 0.00 178.31 176.70 1sym h MET 74 N 0.00 -0.01 0.00 1.11 2.86 -1.46 -3.01 114.93 114.42 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 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1sym h MET 74 CO 0.00 0.80 0.00 0.00 1.06 0.00 0.00 176.91 178.77 1sym n ALA 75 N -2.61 1.60 0.09 6.32 0.00 -0.64 -2.19 120.51 123.09 1sym n ALA 75 Ca -0.08 0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1sym n ALA 75 Cb 0.39 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.33 1sym n ALA 75 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1sym h PHE 76 N 0.00 0.39 0.00 0.00 -1.00 -1.05 -2.94 116.94 112.34 1sym h PHE 76 Ca 0.00 -0.28 -0.11 0.00 2.81 0.00 0.00 57.97 60.39 1sym h PHE 76 Cb 0.33 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.86 1sym h PHE 76 CO 0.00 1.22 -0.50 0.28 -1.61 0.00 0.00 178.31 177.70 1sym h VAL 77 N 0.06 1.05 0.09 -0.55 2.07 -1.30 -3.13 116.25 114.54 1sym h VAL 77 Ca -0.11 -1.96 -0.27 0.00 0.82 0.00 0.00 66.70 65.18 1sym h VAL 77 Cb 1.92 2.16 0.02 0.00 -1.52 0.00 0.00 31.29 33.87 1sym h VAL 77 CO 0.19 0.49 -1.16 0.28 0.02 0.00 0.00 177.57 177.39 1sym h SER 78 N 0.00 0.70 0.00 0.57 0.02 -1.55 -2.55 113.55 110.74 1sym h SER 78 Ca -0.01 -0.63 -0.09 0.00 -0.84 0.00 0.00 61.79 60.22 1sym h SER 78 Cb 1.12 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1sym h SER 78 CO 0.07 1.45 -0.24 0.24 -1.14 0.00 0.00 176.83 177.21 1sym h MET 79 N 0.23 0.40 0.24 3.45 2.07 -1.53 -2.76 114.93 117.03 1sym h MET 79 Ca -0.15 -0.14 -0.33 0.00 -2.07 0.00 0.00 59.70 57.01 1sym h MET 79 Cb 1.83 -0.03 0.03 0.00 -1.87 0.00 0.00 31.60 31.56 1sym h MET 79 CO 0.21 0.62 -1.47 -0.39 1.07 0.00 0.00 176.91 176.95 1sym h VAL 80 N 0.36 1.29 0.00 -2.22 -1.51 -1.60 -1.93 116.25 110.63 1sym h VAL 80 Ca 0.06 -2.74 0.00 0.00 -1.23 0.00 0.00 66.70 62.78 1sym h VAL 80 Cb 0.62 3.02 0.00 0.00 -2.13 0.00 0.00 31.29 32.80 1sym h VAL 80 CO 0.04 0.82 0.00 0.74 -1.23 0.00 0.00 177.57 177.95 1sym h THR 81 N 0.14 0.00 0.00 7.19 2.02 -1.38 0.00 112.91 120.88 1sym h THR 81 Ca -0.25 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1sym h THR 81 Cb 2.15 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1sym h THR 81 CO 0.26 0.00 -1.37 0.41 0.37 0.00 0.00 175.52 175.19 1sym n THR 82 N -2.37 0.00 -1.90 3.16 -1.04 -1.05 -4.56 114.28 106.52 1sym n THR 82 Ca -0.01 -0.27 -0.37 0.00 -2.04 0.00 0.00 64.05 61.37 1sym n THR 82 Cb 0.08 0.49 -0.02 0.00 -1.82 0.00 0.00 70.33 69.06 1sym n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sym n ALA 83 N -1.80 6.66 -3.66 2.41 0.00 -0.01 -4.83 120.51 119.28 1sym n ALA 83 Ca -0.00 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.59 1sym n ALA 83 Cb 0.37 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.28 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 -0.03 -1.73 -1.51 0.00 1.44 -1.26 -1.54 115.22 110.59 1sym n HIS 85 Ca 0.00 -0.08 -0.40 0.00 -2.01 0.00 0.00 57.72 55.23 1sym n HIS 85 Cb 0.00 -0.31 -0.12 0.00 0.12 0.00 0.00 29.99 29.68 1sym n HIS 85 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1sym n GLU 86 N -1.73 0.26 0.00 -1.40 4.07 -1.26 -4.48 120.64 116.10 1sym n GLU 86 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1sym n GLU 86 Cb 0.10 -1.97 0.00 0.00 -0.06 0.00 0.00 31.44 29.51 1sym n GLU 86 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1sym n PHE 87 N 11.73 0.00 -2.58 4.31 7.35 -1.26 -3.25 117.46 133.75 1sym n PHE 87 Ca 0.59 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.94 1sym n PHE 87 Cb 0.15 0.08 0.00 0.00 0.35 0.00 0.00 39.48 40.06 1sym n PHE 87 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1sym n PHE 88 N 2.97 3.35 -1.84 -5.13 3.72 -1.26 -4.62 117.46 114.65 1sym n PHE 88 Ca 0.00 -3.09 -0.28 0.00 -0.05 0.00 0.00 57.45 54.03 1sym n PHE 88 Cb 0.00 -0.77 -0.05 0.00 -0.94 0.00 0.00 39.48 37.73 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 -3.87 2.26 -0.12 -1.08 2.12 -1.20 -4.65 118.70 112.16 1sym s GLU 89 Ca 0.46 0.44 0.15 0.00 0.36 0.00 0.00 54.97 56.38 1sym s GLU 89 Cb 0.30 -4.74 -0.22 0.00 0.26 0.00 0.00 34.13 29.73 1sym s GLU 89 CO -0.19 -3.45 0.16 1.58 -0.54 0.00 0.00 175.26 172.81 1sym n HIS 90 N 15.14 0.00 0.12 5.30 -0.00 -1.26 -5.06 115.22 129.45 1sym n HIS 90 Ca 0.36 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 58.09 1sym n HIS 90 Cb 0.49 -0.67 0.01 0.00 -0.00 0.00 0.00 29.99 29.82 1sym n HIS 90 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43