#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 0.17 0.04 3.17 0.15 -1.26 -5.05 113.70 110.92 1sym s SER 1 Ca 0.00 -0.47 -0.17 0.00 0.70 0.00 0.00 55.95 56.00 1sym s SER 1 Cb 0.00 0.20 -0.19 0.00 -1.71 0.00 0.00 66.02 64.32 1sym s SER 1 CO 0.00 -0.44 1.21 -0.33 1.20 0.00 0.00 173.24 174.88 1sym h GLU 2 N 3.97 0.54 -0.59 5.44 4.39 -2.04 -2.71 114.58 123.59 1sym h GLU 2 Ca -0.32 -0.47 -0.08 0.00 0.34 0.00 0.00 59.36 58.82 1sym h GLU 2 Cb 1.19 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 1sym h GLU 2 CO 0.47 1.10 0.03 1.25 -1.16 0.00 0.00 179.01 180.70 1sym h LEU 3 N 0.14 0.97 0.44 1.33 5.85 -1.97 -0.76 115.31 121.30 1sym h LEU 3 Ca -0.05 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1sym h LEU 3 Cb 1.24 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1sym h LEU 3 CO 0.12 1.00 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.93 1sym h GLU 4 N 0.93 -0.57 0.00 1.25 4.22 -1.97 0.27 114.58 118.71 1sym h GLU 4 Ca 0.17 0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.63 1sym h GLU 4 Cb 0.49 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1sym h GLU 4 CO 0.02 -0.26 -0.09 1.57 -2.18 0.00 0.00 179.01 178.07 1sym h LYS 5 N -0.90 0.00 0.00 1.92 2.10 -1.50 -0.39 116.57 117.80 1sym h LYS 5 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1sym h LYS 5 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1sym h LYS 5 CO 0.10 0.09 0.00 0.00 -2.00 0.00 0.00 179.45 177.64 1sym n ALA 6 N -2.47 0.00 -0.08 0.07 0.00 -0.29 -2.23 120.51 115.51 1sym n ALA 6 Ca -0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 1sym n ALA 6 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 1sym n ALA 6 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1sym h MET 7 N 0.00 -0.28 0.00 0.00 1.85 -0.54 0.12 114.93 116.09 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 0.00 0.06 -0.00 0.00 0.43 0.00 0.00 31.60 32.09 1sym h MET 7 CO 0.00 -0.19 -0.11 0.28 -0.40 0.00 0.00 176.91 176.49 1sym h VAL 8 N -0.29 1.06 -0.52 -5.77 2.07 -1.13 -1.86 116.25 109.81 1sym h VAL 8 Ca 0.15 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 1sym h VAL 8 Cb 0.53 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1sym h VAL 8 CO -0.47 0.11 0.05 0.00 0.02 0.00 0.00 177.57 177.28 1sym h ALA 9 N 1.89 1.10 -0.18 1.67 0.00 -0.31 -2.68 119.26 120.75 1sym h ALA 9 Ca -0.00 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1sym h ALA 9 Cb 0.21 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1sym h ALA 9 CO 0.01 0.58 -0.08 -0.07 0.00 0.00 0.00 179.25 179.70 1sym h LEU 10 N 0.80 -0.26 -1.57 0.00 3.38 -0.51 0.29 115.31 117.43 1sym h LEU 10 Ca 0.16 0.07 0.28 0.00 0.09 0.00 0.00 57.88 58.48 1sym h LEU 10 Cb 0.41 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 1sym h LEU 10 CO 0.01 -0.10 0.70 0.40 0.09 0.00 0.00 178.44 179.54 1sym h ILE 11 N -0.05 0.51 0.21 1.22 1.08 -1.45 0.22 117.51 119.25 1sym h ILE 11 Ca 0.10 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1sym h ILE 11 Cb 0.20 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 1sym h ILE 11 CO -0.21 0.05 -0.20 -0.78 -0.69 0.00 0.00 178.15 176.32 1sym h ASP 12 N 0.27 -0.53 -1.16 1.72 1.82 -0.29 -0.13 116.42 118.12 1sym h ASP 12 Ca 0.56 0.05 0.33 0.00 -0.39 0.00 0.00 57.03 57.58 1sym h ASP 12 Cb 1.66 0.18 -0.05 0.00 0.68 0.00 0.00 39.33 41.80 1sym h ASP 12 CO -0.20 -0.30 0.82 0.58 -1.61 0.00 0.00 179.24 178.53 1sym h VAL 13 N -0.44 0.42 -0.22 2.25 2.07 -0.25 0.28 116.25 120.37 1sym h VAL 13 Ca -0.00 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1sym h VAL 13 Cb 0.41 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1sym h VAL 13 CO -0.04 0.01 0.13 0.15 0.02 0.00 0.00 177.57 177.84 1sym h PHE 14 N 0.05 0.30 0.00 1.57 3.57 -0.79 -0.17 116.94 121.47 1sym h PHE 14 Ca 0.57 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.06 1sym h PHE 14 Cb 2.15 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.79 1sym h PHE 14 CO -0.00 0.25 0.00 0.72 -2.23 0.00 0.00 178.31 177.05 1sym n HIS 15 N -4.89 0.12 0.00 0.41 8.25 0.97 0.01 115.22 120.10 1sym n HIS 15 Ca -0.03 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1sym n HIS 15 Cb 0.06 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.59 1sym n HIS 15 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1sym n GLN 16 N -1.62 0.00 0.06 -0.41 -0.06 -0.22 -3.10 117.38 112.03 1sym n GLN 16 Ca 0.01 0.13 -0.13 0.00 -2.00 0.00 0.00 57.00 55.02 1sym n GLN 16 Cb 0.09 -0.59 -0.09 0.00 -4.06 0.00 0.00 30.24 25.59 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 0.00 -0.15 -0.00 3.69 -1.99 -1.23 -3.01 116.97 114.27 1sym h TYR 17 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1sym h TYR 17 Cb 0.00 0.05 0.00 0.00 2.00 0.00 0.00 36.73 38.78 1sym h TYR 17 CO 0.00 0.22 -0.07 0.45 -0.00 0.00 0.00 178.16 178.76 1sym n SER 18 N -4.99 0.46 -2.14 3.88 2.88 0.00 -3.70 113.62 110.02 1sym n SER 18 Ca -0.09 -0.72 -0.29 0.00 -1.33 0.00 0.00 58.87 56.45 1sym n SER 18 Cb 0.23 -0.07 0.07 0.00 -0.75 0.00 0.00 64.21 63.69 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 1.22 6.00 0.00 0.46 0.00 0.10 -2.27 105.19 110.71 1sym n GLY 19 Ca 0.17 -2.36 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.85 -0.32 0.07 1.61 1.85 -1.22 -4.63 116.66 113.17 1sym n ARG 20 Ca 0.54 -0.19 0.00 0.00 -1.00 0.00 0.00 57.85 57.19 1sym n ARG 20 Cb 0.83 -0.68 0.00 0.00 -1.05 0.00 0.00 32.46 31.57 1sym n ARG 20 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1sym n GLU 21 N -0.00 0.00 0.00 2.89 2.13 -1.26 -5.14 120.64 119.26 1sym n GLU 21 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1sym n GLU 21 Cb 0.17 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.88 1sym n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sym n GLY 22 N -1.25 -2.78 1.24 8.31 0.00 -1.26 -4.75 105.19 104.71 1sym n GLY 22 Ca 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.56 3.04 -1.33 1.61 8.00 -1.26 -4.81 116.55 121.24 1sym n ASP 23 Ca 0.00 -2.48 -0.17 0.00 0.71 0.00 0.00 54.79 52.85 1sym n ASP 23 Cb 0.00 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 40.43 1sym n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sym n LYS 24 N 0.07 -1.45 -0.44 -1.24 5.02 -0.96 -4.67 118.16 114.48 1sym n LYS 24 Ca 0.16 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.56 1sym n LYS 24 Cb 0.77 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 30.32 1sym n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1sym n HIS 25 N -2.38 0.00 -3.70 2.13 8.25 -1.26 -4.80 115.22 113.46 1sym n HIS 25 Ca -0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.18 1sym n HIS 25 Cb 0.63 0.15 -0.11 0.00 1.12 0.00 0.00 29.99 31.77 1sym n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1sym s LYS 26 N 0.00 0.33 0.00 -0.41 1.02 -1.26 -3.47 119.74 115.95 1sym s LYS 26 Ca 0.00 0.72 0.00 0.00 0.02 0.00 0.00 55.97 56.71 1sym s LYS 26 Cb 0.00 -0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 1sym s LYS 26 CO 0.00 -0.16 0.00 -0.11 -0.92 0.00 0.00 175.35 174.16 1sym n LEU 27 N 4.30 0.00 -4.11 3.17 0.00 -1.05 -4.64 117.00 114.67 1sym n LEU 27 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.67 1sym n LEU 27 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.89 1sym n LEU 27 CO 0.10 0.00 -0.04 -0.54 0.00 0.00 0.00 177.39 176.91 1sym s LYS 28 N 2.78 1.39 0.19 1.96 1.02 -1.26 -1.79 119.74 124.03 1sym s LYS 28 Ca 0.00 -1.48 0.10 0.00 0.02 0.00 0.00 55.97 54.62 1sym s LYS 28 Cb 0.00 0.37 -0.04 0.00 -0.52 0.00 0.00 37.83 37.64 1sym s LYS 28 CO 0.00 -0.52 1.38 0.87 -0.92 0.00 0.00 175.35 176.15 1sym h LYS 29 N 2.43 0.00 0.12 1.68 1.57 -1.80 0.19 116.57 120.75 1sym h LYS 29 Ca -0.31 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.20 1sym h LYS 29 Cb 1.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.57 1sym h LYS 29 CO 0.44 0.79 -1.22 1.03 -0.57 0.00 0.00 179.45 179.93 1sym h SER 30 N 0.00 0.47 1.24 0.86 0.87 -1.83 -0.86 113.55 114.30 1sym h SER 30 Ca -0.01 -0.49 -0.03 0.00 -1.23 0.00 0.00 61.79 60.04 1sym h SER 30 Cb 1.56 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1sym h SER 30 CO 0.10 1.37 -0.77 -0.08 -0.53 0.00 0.00 176.83 176.92 1sym h GLU 31 N 0.10 0.00 0.09 2.24 4.81 -1.89 -3.13 114.58 116.81 1sym h GLU 31 Ca -0.14 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.83 1sym h GLU 31 Cb 1.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.32 1sym h GLU 31 CO 0.20 0.07 -1.16 1.25 -0.73 0.00 0.00 179.01 178.65 1sym h LEU 32 N 0.00 0.46 -0.49 1.64 5.85 -0.64 -1.35 115.31 120.78 1sym h LEU 32 Ca -0.02 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1sym h LEU 32 Cb 1.10 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1sym h LEU 32 CO 0.01 1.32 0.24 0.50 -0.34 0.00 0.00 178.44 180.16 1sym h LYS 33 N 0.12 0.71 -0.46 1.25 3.64 -1.19 -1.55 116.57 119.08 1sym h LYS 33 Ca -0.12 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.02 1sym h LYS 33 Cb 1.86 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.54 1sym h LYS 33 CO 0.19 0.59 -0.23 1.05 -2.27 0.00 0.00 179.45 178.78 1sym h GLU 34 N 0.65 0.97 -0.46 1.90 4.11 -1.56 -1.84 114.58 118.36 1sym h GLU 34 Ca 0.17 -0.43 0.09 0.00 0.07 0.00 0.00 59.36 59.26 1sym h GLU 34 Cb 0.12 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.25 1sym h GLU 34 CO -0.02 1.10 -0.16 1.25 0.07 0.00 0.00 179.01 181.24 1sym h LEU 35 N 0.82 -0.58 0.55 3.06 7.12 -0.70 0.71 115.31 126.29 1sym h LEU 35 Ca 0.10 0.15 -0.03 0.00 0.13 0.00 0.00 57.88 58.24 1sym h LEU 35 Cb 0.81 0.34 0.01 0.00 -0.53 0.00 0.00 40.66 41.29 1sym h LEU 35 CO 0.07 -0.20 -0.26 0.40 -0.13 0.00 0.00 178.44 178.32 1sym h ILE 36 N -0.06 0.36 0.00 4.05 2.04 -1.14 -2.14 117.51 120.62 1sym h ILE 36 Ca 0.22 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1sym h ILE 36 Cb 0.40 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1sym h ILE 36 CO -0.51 0.04 0.00 -3.20 0.00 0.00 0.00 178.15 174.49 1sym n ASN 37 N -5.32 0.00 -0.09 1.72 5.15 -0.71 -0.53 115.26 115.48 1sym n ASN 37 Ca -0.11 -0.23 -0.16 0.00 -0.60 0.00 0.00 54.58 53.47 1sym n ASN 37 Cb 0.33 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.48 1sym n ASN 37 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 1sym h ASN 38 N 0.00 0.00 0.00 1.20 -1.24 0.11 -3.35 115.58 112.30 1sym h ASN 38 Ca 0.00 -0.52 -0.32 0.00 0.71 0.00 0.00 56.30 56.17 1sym h ASN 38 Cb 0.00 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 1sym h ASN 38 CO 0.00 1.21 -2.08 1.21 -1.29 0.00 0.00 177.43 176.48 1sym n GLU 39 N -4.52 0.41 -0.20 6.67 2.13 -1.07 -4.61 120.64 119.45 1sym n GLU 39 Ca -0.21 0.18 -0.04 0.00 0.66 0.00 0.00 57.16 57.74 1sym n GLU 39 Cb 0.53 -1.19 0.06 0.00 0.27 0.00 0.00 31.44 31.11 1sym n GLU 39 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1sym h LEU 40 N -0.67 0.55 -1.68 4.31 4.07 -1.04 -1.20 115.31 119.64 1sym h LEU 40 Ca -0.49 0.01 0.44 0.00 0.08 0.00 0.00 57.88 57.92 1sym h LEU 40 Cb 1.44 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 43.01 1sym h LEU 40 CO -0.29 0.38 1.25 -1.28 -1.08 0.00 0.00 178.44 177.42 1sym h SER 41 N 0.67 0.00 0.33 -0.43 0.87 -1.48 0.36 113.55 113.87 1sym h SER 41 Ca 0.24 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1sym h SER 41 Cb 0.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1sym h SER 41 CO -0.12 0.00 -0.23 -0.74 -0.53 0.00 0.00 176.83 175.22 1sym h HIS 42 N 0.00 -0.60 0.00 2.24 6.17 -1.48 -0.74 115.15 120.74 1sym h HIS 42 Ca 0.71 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.79 1sym h HIS 42 Cb 3.20 0.22 0.00 0.00 2.52 0.00 0.00 27.41 33.35 1sym h HIS 42 CO 0.00 -0.35 0.00 1.19 0.71 0.00 0.00 177.93 179.48 1sym n PHE 43 N -5.36 0.00 -2.33 5.26 3.72 0.12 -4.68 117.46 114.19 1sym n PHE 43 Ca -0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.89 1sym n PHE 43 Cb 0.26 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 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 -1.93 3.44 0.00 4.37 0.20 -0.29 -4.50 118.68 119.97 1sym s LEU 44 Ca 0.35 0.46 0.00 0.00 0.69 0.00 0.00 54.13 55.63 1sym s LEU 44 Cb 0.16 -3.14 0.00 0.00 -0.43 0.00 0.00 46.19 42.77 1sym s LEU 44 CO 0.27 -1.70 0.00 -1.84 -0.29 0.00 0.00 176.35 172.78 1sym n GLU 45 N 8.56 0.00 0.00 1.98 0.28 -1.26 -4.99 120.64 125.22 1sym n GLU 45 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1sym n GLU 45 Cb 0.49 -0.10 0.00 0.00 1.43 0.00 0.00 31.44 33.26 1sym n GLU 45 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1sym n GLU 46 N -2.01 0.00 -2.77 3.44 1.02 -1.26 -5.10 120.64 113.96 1sym n GLU 46 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1sym n GLU 46 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 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 -2.39-11.64 -0.27 -3.67 5.41 -1.23 -4.88 119.36 100.70 1sym n ILE 47 Ca 0.00 1.45 -0.05 0.00 1.00 0.00 0.00 62.75 65.14 1sym n ILE 47 Cb 0.41 -7.09 0.06 0.00 -0.71 0.00 0.00 39.64 32.31 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 2.60 1.03 -4.37 0.38 3.64 -1.79 -3.23 116.57 114.82 1sym h LYS 48 Ca 0.00 -0.12 -0.74 0.00 -1.27 0.00 0.00 60.65 58.52 1sym h LYS 48 Cb 0.42 -0.20 -0.17 0.00 -0.41 0.00 0.00 32.23 31.86 1sym h LYS 48 CO 0.14 0.76 1.52 0.39 -2.27 0.00 0.00 179.45 180.00 1sym n GLU 49 N -4.47 3.45 0.26 1.90 -0.58 -1.24 -4.77 120.64 115.20 1sym n GLU 49 Ca 0.07 -3.78 0.11 0.00 -0.42 0.00 0.00 57.16 53.13 1sym n GLU 49 Cb 0.09 -3.00 0.71 0.00 -0.57 0.00 0.00 31.44 28.67 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 6.72 0.00 0.00 3.49 4.15 -1.85 -1.55 115.11 126.08 1sym h GLN 50 Ca 0.34 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.60 1sym h GLN 50 Cb 0.80 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.47 1sym h GLN 50 CO 1.35 0.10 -0.73 1.49 -1.93 0.00 0.00 178.83 179.10 1sym h GLU 51 N 0.00 0.00 0.05 1.69 4.81 -1.92 -0.52 114.58 118.69 1sym h GLU 51 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sym h GLU 51 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1sym h GLU 51 CO 0.01 0.73 -0.02 0.28 -0.73 0.00 0.00 179.01 179.28 1sym h VAL 52 N 0.00 1.32 0.00 0.32 2.07 -1.68 -0.67 116.25 117.61 1sym h VAL 52 Ca -0.01 -1.40 -0.11 0.00 0.82 0.00 0.00 66.70 66.01 1sym h VAL 52 Cb 1.39 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 33.36 1sym h VAL 52 CO 0.10 0.34 -0.50 0.58 0.02 0.00 0.00 177.57 178.11 1sym h VAL 53 N -0.71 1.16 0.00 2.57 2.07 -1.56 -2.49 116.25 117.29 1sym h VAL 53 Ca -0.01 -1.85 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 1sym h VAL 53 Cb 0.61 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1sym h VAL 53 CO 0.01 0.49 -0.01 0.44 0.02 0.00 0.00 177.57 178.52 1sym h ASP 54 N 0.00 0.00 0.02 0.57 5.19 -1.10 -0.82 116.42 120.27 1sym h ASP 54 Ca -0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1sym h ASP 54 Cb 1.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.52 1sym h ASP 54 CO 0.07 0.01 -0.01 0.50 -3.12 0.00 0.00 179.24 176.69 1sym h LYS 55 N 0.00 -0.02 -0.49 3.56 3.11 -0.68 -1.29 116.57 120.76 1sym h LYS 55 Ca -0.00 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.73 1sym h LYS 55 Cb 0.87 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.09 1sym h LYS 55 CO 0.00 0.58 -0.12 -0.39 -2.81 0.00 0.00 179.45 176.72 1sym h VAL 56 N -0.98 1.27 0.00 2.00 -1.51 -1.55 -2.06 116.25 113.43 1sym h VAL 56 Ca -0.00 -1.25 -0.03 0.00 -1.23 0.00 0.00 66.70 64.18 1sym h VAL 56 Cb 0.62 1.07 -0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1sym h VAL 56 CO 0.00 0.43 -0.16 -0.03 -1.23 0.00 0.00 177.57 176.58 1sym h MET 57 N 0.79 0.00 0.20 5.19 1.85 -1.27 -0.97 114.93 120.72 1sym h MET 57 Ca 0.12 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.20 1sym h MET 57 Cb 0.67 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.70 1sym h MET 57 CO 0.05 0.16 -0.10 0.93 -0.40 0.00 0.00 176.91 177.56 1sym h GLU 58 N 0.00 -0.26 0.00 0.39 5.08 -0.56 -1.67 114.58 117.55 1sym h GLU 58 Ca -0.00 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1sym h GLU 58 Cb 0.47 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1sym h GLU 58 CO 0.02 0.13 -0.06 1.15 -1.00 0.00 0.00 179.01 179.25 1sym h THR 59 N -0.89 0.78 0.20 1.13 2.02 -1.30 0.41 112.91 115.26 1sym h THR 59 Ca -0.03 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1sym h THR 59 Cb 0.51 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1sym h THR 59 CO 0.05 0.06 -0.10 -0.07 0.37 0.00 0.00 175.52 175.83 1sym h LEU 60 N 0.00 -0.23 -0.46 2.58 3.38 -1.09 -2.81 115.31 116.68 1sym h LEU 60 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1sym h LEU 60 Cb 0.13 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1sym h LEU 60 CO 0.01 0.08 0.00 0.47 0.09 0.00 0.00 178.44 179.09 1sym n ASP 61 N -5.08 0.75 0.24 -0.43 9.92 -0.64 -2.40 116.55 118.91 1sym n ASP 61 Ca -0.09 0.64 -0.10 0.00 -0.53 0.00 0.00 54.79 54.71 1sym n ASP 61 Cb 0.22 -0.81 -0.05 0.00 -0.64 0.00 0.00 41.12 39.84 1sym n ASP 61 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1sym h GLU 62 N 0.00 -0.61 0.00 -1.24 4.81 -0.67 -3.40 114.58 113.48 1sym h GLU 62 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1sym h GLU 62 Cb 0.51 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1sym h GLU 62 CO 0.00 -0.40 -0.01 -0.44 -0.73 0.00 0.00 179.01 177.42 1sym h ASP 63 N -0.83 0.00 0.00 1.04 5.19 -1.62 -3.47 116.42 116.73 1sym h ASP 63 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1sym h ASP 63 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1sym h ASP 63 CO 0.11 0.06 0.00 0.61 -3.12 0.00 0.00 179.24 176.90 1sym n GLY 64 N 1.92 2.15 2.50 2.75 0.00 -1.01 -4.71 105.19 108.79 1sym n GLY 64 Ca -0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 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 1.45 4.01 -2.33 1.61 -0.08 -1.26 -3.31 116.55 116.64 1sym n ASP 65 Ca 0.00 -3.49 -0.03 0.00 -1.51 0.00 0.00 54.79 49.76 1sym n ASP 65 Cb 0.00 -0.47 0.00 0.00 2.34 0.00 0.00 41.12 42.99 1sym n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sym n GLY 66 N -0.40 2.91 3.22 0.27 0.00 -1.26 -4.98 105.19 104.95 1sym n GLY 66 Ca 0.33 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.91 1sym n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sym s GLU 67 N -2.27 1.50 0.31 1.61 2.02 -1.26 -3.14 118.70 117.47 1sym s GLU 67 Ca 0.04 -0.81 0.09 0.00 0.02 0.00 0.00 54.97 54.31 1sym s GLU 67 Cb -0.00 -1.52 -0.05 0.00 0.10 0.00 0.00 34.13 32.66 1sym s GLU 67 CO 0.02 0.41 0.04 0.00 0.02 0.00 0.00 175.26 175.75 1sym s ASP 69 N -3.73 5.00 0.15 0.00 1.11 -1.26 -2.54 116.67 115.40 1sym s ASP 69 Ca 0.34 -0.11 -0.09 0.00 0.18 0.00 0.00 52.55 52.87 1sym s ASP 69 Cb -0.04 -0.62 -0.00 0.00 1.07 0.00 0.00 42.92 43.33 1sym s ASP 69 CO 0.20 -1.37 1.48 2.19 1.18 0.00 0.00 175.17 178.86 1sym h PHE 70 N -0.12 1.03 0.00 4.23 -5.15 -1.95 -1.90 116.94 113.08 1sym h PHE 70 Ca -0.40 -0.32 -0.18 0.00 -0.20 0.00 0.00 57.97 56.86 1sym h PHE 70 Cb 1.29 -0.21 -0.03 0.00 0.22 0.00 0.00 35.95 37.22 1sym h PHE 70 CO 0.22 1.13 -0.86 -0.56 -2.00 0.00 0.00 178.31 176.24 1sym h GLN 71 N 0.69 0.00 0.56 6.09 -0.00 -1.94 -3.10 115.11 117.40 1sym h GLN 71 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.67 1sym h GLN 71 Cb 1.01 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.50 1sym h GLN 71 CO 0.10 0.86 -0.27 0.93 -0.00 0.00 0.00 178.83 180.45 1sym h GLU 72 N 0.00 -0.72 -0.18 0.06 4.39 -1.91 -1.80 114.58 114.41 1sym h GLU 72 Ca -0.01 0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.79 1sym h GLU 72 Cb 1.59 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.39 1sym h GLU 72 CO 0.11 -0.44 0.48 0.35 -1.16 0.00 0.00 179.01 178.35 1sym h PHE 73 N -1.14 0.00 0.15 4.33 3.57 -1.46 -0.38 116.94 122.02 1sym h PHE 73 Ca -0.08 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 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 0.01 0.00 -0.07 1.98 -2.23 0.00 0.00 178.31 177.99 1sym h MET 74 N 0.00 -0.20 0.00 1.11 4.05 -1.36 -2.48 114.93 116.05 1sym h MET 74 Ca 0.09 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 1sym h MET 74 Cb 1.04 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 1sym h MET 74 CO -0.00 -0.13 0.04 0.00 0.23 0.00 0.00 176.91 177.05 1sym h ALA 75 N -1.50 1.03 0.07 0.39 0.00 -0.55 -1.55 119.26 117.15 1sym h ALA 75 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1sym h ALA 75 Cb 0.16 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1sym h ALA 75 CO 0.03 -0.03 -0.46 0.74 0.00 0.00 0.00 179.25 179.54 1sym h PHE 76 N 0.00 0.32 0.00 0.00 -1.00 -1.10 -2.79 116.94 112.36 1sym h PHE 76 Ca 0.00 -0.23 -0.03 0.00 2.81 0.00 0.00 57.97 60.52 1sym h PHE 76 Cb 0.08 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.62 1sym h PHE 76 CO 0.00 1.16 -0.16 0.28 -1.61 0.00 0.00 178.31 177.99 1sym h VAL 77 N -0.62 0.91 0.11 -0.55 2.07 -0.80 -3.07 116.25 114.29 1sym h VAL 77 Ca -0.08 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 66.71 1sym h VAL 77 Cb 1.35 1.33 0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1sym h VAL 77 CO 0.09 0.15 -0.65 0.28 0.02 0.00 0.00 177.57 177.46 1sym h SER 78 N 0.00 0.36 -0.89 0.57 0.02 -1.55 -3.06 113.55 109.01 1sym h SER 78 Ca -0.00 -0.96 0.08 0.00 -0.84 0.00 0.00 61.79 60.07 1sym h SER 78 Cb 0.32 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 1sym h SER 78 CO 0.02 1.31 0.58 0.00 -1.14 0.00 0.00 176.83 177.60 1sym h MET 79 N -0.51 0.92 0.04 3.45 3.00 -1.41 -2.26 114.93 118.15 1sym h MET 79 Ca -0.12 -0.06 -0.22 0.00 0.00 0.00 0.00 59.70 59.30 1sym h MET 79 Cb 1.50 -0.21 -0.01 0.00 0.00 0.00 0.00 31.60 32.89 1sym h MET 79 CO 0.11 0.61 -1.01 -0.39 0.00 0.00 0.00 176.91 176.24 1sym h VAL 80 N 0.95 1.52 0.00 -0.10 -1.51 -1.66 -2.84 116.25 112.61 1sym h VAL 80 Ca 0.40 -2.84 0.00 0.00 -1.23 0.00 0.00 66.70 63.02 1sym h VAL 80 Cb 0.30 2.65 0.00 0.00 -2.13 0.00 0.00 31.29 32.11 1sym h VAL 80 CO -0.16 0.83 0.00 0.41 -1.23 0.00 0.00 177.57 177.42 1sym n THR 81 N -3.59 1.03 0.39 7.19 -1.04 -0.87 -1.59 114.28 115.80 1sym n THR 81 Ca -0.05 0.45 0.08 0.00 -2.04 0.00 0.00 64.05 62.49 1sym n THR 81 Cb 0.89 -1.40 -0.11 0.00 -1.82 0.00 0.00 70.33 67.90 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 -2.11 0.00 0.36 12.58 -2.24 -1.12 -4.29 114.28 117.46 1sym n THR 82 Ca 0.01 -0.24 0.11 0.00 -2.27 0.00 0.00 64.05 61.66 1sym n THR 82 Cb 0.13 0.59 0.19 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.70 2.41 0.03 6.98 0.00 -0.62 -4.19 120.51 123.42 1sym n ALA 83 Ca 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 53.44 52.55 1sym n ALA 83 Cb 0.33 -0.81 -0.09 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.62 -0.11 0.00 0.00 -0.00 -1.26 -3.53 115.22 107.70 1sym n HIS 85 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 1sym n HIS 85 Cb 0.70 0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.62 1sym n HIS 85 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1sym n GLU 86 N 0.00 0.00 -0.19 1.57 0.00 -1.26 -4.36 120.64 116.40 1sym n GLU 86 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1sym n GLU 86 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 31.44 31.66 1sym n GLU 86 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1sym h PHE 87 N 0.00 0.93 0.00 4.31 3.57 -1.94 -0.40 116.94 123.42 1sym h PHE 87 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1sym h PHE 87 Cb 0.00 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.44 1sym h PHE 87 CO 0.00 0.65 0.00 0.74 -2.23 0.00 0.00 178.31 177.47 1sym h PHE 88 N 0.96 0.00 0.00 0.41 -1.00 -1.97 -2.30 116.94 113.04 1sym h PHE 88 Ca 0.24 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.02 1sym h PHE 88 Cb 0.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.59 1sym h PHE 88 CO 0.01 0.00 0.00 0.39 -1.61 0.00 0.00 178.31 177.10 1sym n GLU 89 N -2.51 0.43 -0.53 1.51 -0.58 -0.16 -4.86 120.64 113.92 1sym n GLU 89 Ca 0.02 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1sym n GLU 89 Cb 0.28 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1sym n GLU 89 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1sym n HIS 90 N -1.28 0.00 1.01 -0.32 -0.00 -0.86 -5.07 115.22 108.69 1sym n HIS 90 Ca 0.14 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.98 1sym n HIS 90 Cb 0.23 -0.10 0.10 0.00 -0.00 0.00 0.00 29.99 30.23 1sym n HIS 90 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43