#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 1.24 -0.03 3.17 3.41 -1.26 -4.91 113.62 115.23 1sym n SER 1 Ca 0.00 -1.72 -0.14 0.00 -0.26 0.00 0.00 58.87 56.75 1sym n SER 1 Cb 0.00 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 63.74 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 0.21 -0.05 4.33 4.57 -2.04 -2.41 114.58 119.19 1sym h GLU 2 Ca -0.13 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 57.85 1sym h GLU 2 Cb 0.53 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1sym h GLU 2 CO 0.19 0.79 -0.12 1.25 -1.18 0.00 0.00 179.01 179.94 1sym h LEU 3 N -0.33 0.20 -0.35 1.64 5.85 -1.98 -2.53 115.31 117.82 1sym h LEU 3 Ca -0.01 -0.58 0.06 0.00 0.84 0.00 0.00 57.88 58.19 1sym h LEU 3 Cb 0.81 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1sym h LEU 3 CO 0.04 0.74 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.78 1sym h GLU 4 N -0.34 0.07 -0.62 1.25 4.81 -1.96 0.46 114.58 118.25 1sym h GLU 4 Ca -0.00 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1sym h GLU 4 Cb 0.72 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1sym h GLU 4 CO 0.03 0.05 0.11 0.87 -0.73 0.00 0.00 179.01 179.33 1sym h LYS 5 N 0.07 1.01 0.00 1.92 1.57 -1.48 -1.56 116.57 118.11 1sym h LYS 5 Ca 0.17 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1sym h LYS 5 Cb 0.24 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1sym h LYS 5 CO -0.30 0.93 0.00 0.00 -0.57 0.00 0.00 179.45 179.51 1sym n ALA 6 N -2.47 0.00 -0.29 3.86 0.00 -0.77 -1.69 120.51 119.16 1sym n ALA 6 Ca 0.04 -0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.56 1sym n ALA 6 Cb 0.28 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.92 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 0.08 -0.11 0.00 1.85 -0.25 0.60 114.93 117.10 1sym h MET 7 Ca 0.00 -0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 58.96 1sym h MET 7 Cb 0.00 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.00 1sym h MET 7 CO 0.00 0.05 -0.48 0.28 -0.40 0.00 0.00 176.91 176.37 1sym h VAL 8 N 0.08 1.33 -0.12 -5.77 2.07 -1.33 -2.66 116.25 109.85 1sym h VAL 8 Ca 0.47 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 1sym h VAL 8 Cb 0.86 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1sym h VAL 8 CO -0.75 0.50 -0.07 0.00 0.02 0.00 0.00 177.57 177.28 1sym h ALA 9 N 1.28 1.67 -0.10 1.67 0.00 0.10 -2.44 119.26 121.45 1sym h ALA 9 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1sym h ALA 9 Cb 0.93 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1sym h ALA 9 CO 0.08 0.25 0.02 1.25 0.00 0.00 0.00 179.25 180.84 1sym h LEU 10 N 0.17 0.15 -1.84 0.00 6.46 -0.81 -2.06 115.31 117.38 1sym h LEU 10 Ca 0.04 -0.26 0.17 0.00 -0.12 0.00 0.00 57.88 57.71 1sym h LEU 10 Cb 0.24 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 1sym h LEU 10 CO 0.01 0.37 0.47 0.40 -0.62 0.00 0.00 178.44 179.08 1sym h ILE 11 N -0.07 0.72 0.15 4.05 5.03 -1.41 -0.45 117.51 125.53 1sym h ILE 11 Ca 0.03 -0.05 -0.01 0.00 -0.12 0.00 0.00 64.86 64.71 1sym h ILE 11 Cb 0.28 0.55 -0.00 0.00 -3.03 0.00 0.00 36.82 34.62 1sym h ILE 11 CO 0.00 0.03 -0.08 -0.78 -0.68 0.00 0.00 178.15 176.64 1sym h ASP 12 N 0.16 -0.20 -1.06 1.72 1.82 -1.09 -1.36 116.42 116.40 1sym h ASP 12 Ca 0.33 0.01 0.29 0.00 -0.39 0.00 0.00 57.03 57.27 1sym h ASP 12 Cb 1.08 0.06 -0.07 0.00 0.68 0.00 0.00 39.33 41.07 1sym h ASP 12 CO -0.05 -0.14 0.71 0.58 -1.61 0.00 0.00 179.24 178.74 1sym h VAL 13 N -0.22 0.50 -0.31 2.25 2.07 -0.93 0.16 116.25 119.77 1sym h VAL 13 Ca -0.02 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1sym h VAL 13 Cb 0.18 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1sym h VAL 13 CO 0.02 0.04 0.17 0.15 0.02 0.00 0.00 177.57 177.97 1sym h PHE 14 N 0.24 0.31 0.00 1.57 3.04 -1.13 -0.64 116.94 120.33 1sym h PHE 14 Ca 0.56 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.53 1sym h PHE 14 Cb 1.73 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 40.14 1sym h PHE 14 CO -0.00 0.18 0.00 1.58 -2.02 0.00 0.00 178.31 178.04 1sym n HIS 15 N -4.94 0.00 0.12 0.41 -0.00 0.46 -1.53 115.22 109.74 1sym n HIS 15 Ca -0.01 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.27 1sym n HIS 15 Cb 0.06 -0.12 0.02 0.00 -0.12 0.00 0.00 29.99 29.84 1sym n HIS 15 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1sym h GLN 16 N 0.00 0.00 0.00 1.57 1.08 -0.19 -3.27 115.11 114.30 1sym h GLN 16 Ca 0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1sym h GLN 16 Cb 0.12 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1sym h GLN 16 CO 0.00 0.06 -1.17 0.66 -0.95 0.00 0.00 178.83 177.43 1sym n TYR 17 N -2.81 0.00 -0.10 2.96 4.02 -1.07 -4.67 117.16 115.48 1sym n TYR 17 Ca -0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1sym n TYR 17 Cb 0.59 -0.12 -0.03 0.00 -0.02 0.00 0.00 39.34 39.76 1sym n TYR 17 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1sym h SER 18 N 0.00 0.92 -0.98 7.72 0.87 -1.47 -3.06 113.55 117.55 1sym h SER 18 Ca -0.07 -0.49 0.20 0.00 -1.23 0.00 0.00 61.79 60.21 1sym h SER 18 Cb 1.14 -0.26 -0.11 0.00 -0.44 0.00 0.00 62.40 62.73 1sym h SER 18 CO 0.00 1.22 0.58 1.23 -0.53 0.00 0.00 176.83 179.33 1sym h GLY 19 N 0.64 1.76 -7.31 5.77 0.00 -1.76 -3.37 103.07 98.81 1sym h GLY 19 Ca 0.04 -0.33 -0.19 0.00 0.00 0.00 0.00 47.33 46.85 1sym h GLY 19 CO 0.09 -0.11 0.82 0.54 0.00 0.00 0.00 176.54 177.89 1sym n ARG 20 N -4.82 0.52 0.00 4.80 1.74 -1.16 -4.73 116.66 113.02 1sym n ARG 20 Ca 0.23 -0.47 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 1sym n ARG 20 Cb 0.60 -3.02 0.00 0.00 -1.02 0.00 0.00 32.46 29.01 1sym n ARG 20 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1sym n GLU 21 N 8.24 0.00 0.00 5.56 0.28 -1.26 -4.93 120.64 128.53 1sym n GLU 21 Ca 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 1sym n GLU 21 Cb 0.38 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.25 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 -1.20 0.00 -1.84 0.00 -1.26 -4.86 105.19 96.04 1sym n GLY 22 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 0.12 0.00 0.00 1.61 -0.08 -1.26 -5.12 116.55 111.82 1sym n ASP 23 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1sym n ASP 23 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1sym n ASP 23 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1sym n LYS 24 N -0.18 0.00 -4.15 -0.67 4.81 -1.26 -4.98 118.16 111.73 1sym n LYS 24 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 1sym n LYS 24 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 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 -0.04 -1.74 -3.71 5.64 8.25 -1.26 -4.93 115.22 117.43 1sym n HIS 25 Ca 0.00 0.79 -0.11 0.00 -0.26 0.00 0.00 57.72 58.14 1sym n HIS 25 Cb 0.00 -3.18 -0.11 0.00 1.12 0.00 0.00 29.99 27.82 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 -6.84 0.37 0.00 -0.41 0.00 -1.26 -4.65 119.74 106.94 1sym s LYS 26 Ca 0.56 0.70 0.00 0.00 0.00 0.00 0.00 55.97 57.23 1sym s LYS 26 Cb -0.30 -0.00 0.00 0.00 0.00 0.00 0.00 37.83 37.53 1sym s LYS 26 CO 0.92 -0.14 0.00 1.28 0.00 0.00 0.00 175.35 177.40 1sym n LEU 27 N 4.03 0.00 0.00 2.77 7.99 -0.59 -4.84 117.00 126.36 1sym n LEU 27 Ca -0.22 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.70 1sym n LEU 27 Cb 0.55 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.84 1sym n LEU 27 CO 0.10 -0.04 0.11 0.29 -1.51 0.00 0.00 177.39 176.34 1sym n LYS 28 N -0.07 0.42 0.06 3.23 5.02 -1.26 -1.95 118.16 123.60 1sym n LYS 28 Ca 0.00 -1.62 0.07 0.00 -2.02 0.00 0.00 58.31 54.74 1sym n LYS 28 Cb 0.00 1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 36.53 1sym n LYS 28 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sym n LYS 29 N -0.34 0.62 0.05 1.97 4.76 -1.07 -2.49 118.16 121.66 1sym n LYS 29 Ca 0.00 0.10 -0.20 0.00 -2.87 0.00 0.00 58.31 55.33 1sym n LYS 29 Cb 0.34 -1.76 -0.15 0.00 -1.84 0.00 0.00 35.03 31.63 1sym n LYS 29 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1sym h SER 30 N 0.00 0.49 1.43 4.39 0.87 -1.78 -1.05 113.55 117.90 1sym h SER 30 Ca -0.07 -0.95 -0.07 0.00 -1.23 0.00 0.00 61.79 59.47 1sym h SER 30 Cb 1.22 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1sym h SER 30 CO 0.01 1.42 -0.35 -0.08 -0.53 0.00 0.00 176.83 177.31 1sym h GLU 31 N -0.34 0.00 0.00 2.24 4.57 -1.89 -2.81 114.58 116.35 1sym h GLU 31 Ca -0.16 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.77 1sym h GLU 31 Cb 1.68 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.29 1sym h GLU 31 CO 0.16 0.35 -0.99 1.25 -1.18 0.00 0.00 179.01 178.59 1sym h LEU 32 N 0.00 0.87 -0.48 1.64 5.85 -1.54 -0.02 115.31 121.63 1sym h LEU 32 Ca -0.00 -0.74 0.02 0.00 0.84 0.00 0.00 57.88 57.99 1sym h LEU 32 Cb 1.16 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1sym h LEU 32 CO 0.05 1.50 0.29 0.50 -0.34 0.00 0.00 178.44 180.43 1sym h LYS 33 N 0.32 0.56 -0.11 1.25 3.11 -1.13 -0.92 116.57 119.66 1sym h LYS 33 Ca -0.13 -0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 57.56 1sym h LYS 33 Cb 1.66 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.75 1sym h LYS 33 CO 0.20 0.37 -0.47 1.05 -2.81 0.00 0.00 179.45 177.79 1sym h GLU 34 N 0.57 0.26 -0.82 1.90 -0.00 -1.50 -2.32 114.58 112.68 1sym h GLU 34 Ca 0.19 -0.14 0.06 0.00 -0.00 0.00 0.00 59.36 59.47 1sym h GLU 34 Cb 0.01 0.01 -0.06 0.00 -0.00 0.00 0.00 28.75 28.70 1sym h GLU 34 CO -0.08 0.68 0.50 1.25 -0.00 0.00 0.00 179.01 181.36 1sym h LEU 35 N 0.21 0.77 0.15 3.06 7.12 0.31 1.14 115.31 128.07 1sym h LEU 35 Ca 0.01 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.04 1sym h LEU 35 Cb 0.91 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.90 1sym h LEU 35 CO 0.07 0.49 -0.07 0.40 -0.13 0.00 0.00 178.44 179.20 1sym h ILE 36 N 0.90 0.75 0.00 4.05 2.04 -1.07 -3.11 117.51 121.07 1sym h ILE 36 Ca 0.36 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1sym h ILE 36 Cb 0.18 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1sym h ILE 36 CO -0.18 0.21 0.00 -3.20 0.00 0.00 0.00 178.15 174.98 1sym n ASN 37 N -4.90 0.00 0.03 1.72 5.15 -0.89 0.69 115.26 117.06 1sym n ASN 37 Ca -0.07 -0.35 -0.19 0.00 -0.60 0.00 0.00 54.58 53.37 1sym n ASN 37 Cb 0.25 -0.07 -0.14 0.00 -0.53 0.00 0.00 39.78 39.28 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 0.41 0.00 1.20 -1.24 0.14 -3.39 115.58 112.70 1sym h ASN 38 Ca 0.00 -0.75 0.00 0.00 0.71 0.00 0.00 56.30 56.26 1sym h ASN 38 Cb 0.04 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 38.95 1sym h ASN 38 CO 0.00 1.66 -0.47 1.21 -1.29 0.00 0.00 177.43 178.53 1sym n GLU 39 N -3.45 0.41 0.00 6.67 4.07 -1.07 -4.71 120.64 122.55 1sym n GLU 39 Ca -0.25 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 56.94 1sym n GLU 39 Cb 1.06 -0.74 0.48 0.00 -0.06 0.00 0.00 31.44 32.18 1sym n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1sym n LEU 40 N -1.81 0.00 0.08 4.31 4.32 0.22 -2.26 117.00 121.86 1sym n LEU 40 Ca 0.00 0.15 0.13 0.00 -0.02 0.00 0.00 56.01 56.27 1sym n LEU 40 Cb 0.24 -0.15 0.45 0.00 -1.62 0.00 0.00 43.42 42.34 1sym n LEU 40 CO 0.00 -0.06 0.89 -0.24 -1.22 0.00 0.00 177.39 176.76 1sym n SER 41 N -1.15 0.61 0.28 -1.43 2.88 -0.73 -3.30 113.62 110.78 1sym n SER 41 Ca 0.11 0.54 0.14 0.00 -1.33 0.00 0.00 58.87 58.32 1sym n SER 41 Cb 0.10 -0.69 0.83 0.00 -0.75 0.00 0.00 64.21 63.70 1sym n SER 41 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1sym h HIS 42 N 0.00 0.00 -2.16 0.66 6.17 -1.77 -2.92 115.15 115.12 1sym h HIS 42 Ca 0.00 0.00 -0.66 0.00 0.71 0.00 0.00 60.37 60.42 1sym h HIS 42 Cb 0.68 0.00 -0.37 0.00 2.52 0.00 0.00 27.41 30.24 1sym h HIS 42 CO 0.00 0.05 -0.10 1.19 0.71 0.00 0.00 177.93 179.79 1sym n PHE 43 N -3.80 3.57 -3.13 5.26 3.72 -1.21 -4.84 117.46 117.03 1sym n PHE 43 Ca -0.03 -3.40 -0.25 0.00 -0.05 0.00 0.00 57.45 53.73 1sym n PHE 43 Cb 0.14 -0.67 -0.05 0.00 -0.94 0.00 0.00 39.48 37.96 1sym n PHE 43 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1sym n LEU 44 N -0.25 3.13 0.00 4.37 0.00 -1.11 -4.64 117.00 118.52 1sym n LEU 44 Ca 0.38 -5.39 0.00 0.00 0.00 0.00 0.00 56.01 51.00 1sym n LEU 44 Cb 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 43.42 43.59 1sym n LEU 44 CO 0.40 2.24 -0.38 -0.62 0.00 0.00 0.00 177.39 179.03 1sym n GLU 45 N 0.30 1.40 0.00 1.96 1.02 -1.26 -4.91 120.64 119.15 1sym n GLU 45 Ca 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1sym n GLU 45 Cb 0.46 -0.88 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 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 -1.97 0.00 -1.98 3.49 -0.58 -1.26 -5.12 120.64 113.23 1sym n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1sym n GLU 46 Cb 0.38 -0.89 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 1sym n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1sym n ILE 47 N -2.41-11.88 -0.10 -3.67 5.41 -1.26 -4.77 119.36 100.67 1sym n ILE 47 Ca 0.00 3.20 -0.15 0.00 1.00 0.00 0.00 62.75 66.80 1sym n ILE 47 Cb 0.43 -5.07 -0.06 0.00 -0.71 0.00 0.00 39.64 34.24 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 1.60 0.53 -2.88 0.38 4.81 -1.07 -4.33 118.16 117.21 1sym n LYS 48 Ca 0.00 0.33 -0.44 0.00 -0.87 0.00 0.00 58.31 57.33 1sym n LYS 48 Cb 0.00 -1.53 -0.00 0.00 0.02 0.00 0.00 35.03 33.52 1sym n LYS 48 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1sym s GLU 49 N -2.61 4.05 0.63 1.64 0.41 -1.22 -4.78 118.70 116.82 1sym s GLU 49 Ca -0.29 -2.44 0.36 0.00 -0.41 0.00 0.00 54.97 52.19 1sym s GLU 49 Cb 0.07 -5.15 2.06 0.00 -1.78 0.00 0.00 34.13 29.33 1sym s GLU 49 CO 0.42 -1.86 2.26 0.37 -0.49 0.00 0.00 175.26 175.97 1sym h GLN 50 N 7.30 0.00 0.19 1.61 -0.00 -1.86 -1.09 115.11 121.26 1sym h GLN 50 Ca 0.33 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.68 1sym h GLN 50 Cb 0.88 0.00 0.02 0.00 0.00 0.00 0.00 27.48 28.38 1sym h GLN 50 CO 1.28 0.00 -1.35 1.49 0.00 0.00 0.00 178.83 180.25 1sym h GLU 51 N 0.00 0.46 0.62 1.69 4.81 -1.96 -1.52 114.58 118.68 1sym h GLU 51 Ca 0.01 -0.74 -0.03 0.00 -0.13 0.00 0.00 59.36 58.47 1sym h GLU 51 Cb 0.12 0.27 0.01 0.00 0.63 0.00 0.00 28.75 29.77 1sym h GLU 51 CO -0.00 1.35 -0.30 0.28 -0.73 0.00 0.00 179.01 179.61 1sym h VAL 52 N 0.14 0.26 0.00 0.32 2.07 -1.61 0.13 116.25 117.56 1sym h VAL 52 Ca -0.20 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1sym h VAL 52 Cb 2.05 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1sym h VAL 52 CO 0.24 0.03 -0.26 0.58 0.02 0.00 0.00 177.57 178.18 1sym h VAL 53 N -1.05 1.13 0.00 2.57 2.07 -1.60 -1.30 116.25 118.08 1sym h VAL 53 Ca -0.09 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1sym h VAL 53 Cb 0.69 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1sym h VAL 53 CO 0.14 0.26 -0.21 -0.78 0.02 0.00 0.00 177.57 177.00 1sym h ASP 54 N 0.00 0.00 0.00 0.57 3.58 -1.10 -1.28 116.42 118.19 1sym h ASP 54 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1sym h ASP 54 Cb 0.48 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 1sym h ASP 54 CO 0.03 0.21 -0.03 0.50 -2.88 0.00 0.00 179.24 177.07 1sym h LYS 55 N 0.00 0.00 -0.13 0.28 3.64 0.39 -2.29 116.57 118.47 1sym h LYS 55 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1sym h LYS 55 Cb 0.87 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1sym h LYS 55 CO 0.03 0.72 0.02 -0.39 -2.27 0.00 0.00 179.45 177.56 1sym h VAL 56 N -1.00 1.21 0.00 2.00 -1.51 -1.46 -1.74 116.25 113.75 1sym h VAL 56 Ca -0.01 -0.67 -0.01 0.00 -1.23 0.00 0.00 66.70 64.78 1sym h VAL 56 Cb 0.73 1.42 -0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1sym h VAL 56 CO -0.00 0.20 -0.03 -0.03 -1.23 0.00 0.00 177.57 176.47 1sym h MET 57 N -0.01 0.00 0.22 5.19 1.85 -1.38 -1.18 114.93 119.61 1sym h MET 57 Ca 0.04 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.12 1sym h MET 57 Cb 0.28 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.32 1sym h MET 57 CO 0.00 0.03 -0.10 0.93 -0.40 0.00 0.00 176.91 177.37 1sym h GLU 58 N 0.00 -0.28 0.00 0.39 5.08 -0.72 -1.54 114.58 117.51 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 0.14 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1sym h GLU 58 CO 0.00 0.09 -0.07 1.15 -1.00 0.00 0.00 179.01 179.18 1sym h THR 59 N -0.91 0.99 0.29 1.13 2.02 -1.11 0.45 112.91 115.77 1sym h THR 59 Ca -0.03 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1sym h THR 59 Cb 0.50 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1sym h THR 59 CO 0.05 0.07 -0.14 -0.07 0.37 0.00 0.00 175.52 175.80 1sym h LEU 60 N 0.00 -0.33 0.00 2.58 3.38 -1.16 -2.49 115.31 117.28 1sym h LEU 60 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1sym h LEU 60 Cb 0.13 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sym h LEU 60 CO 0.01 -0.09 0.00 -0.67 0.09 0.00 0.00 178.44 177.78 1sym n ASP 61 N -5.19 0.00 0.16 -0.43 -0.08 -0.59 -1.86 116.55 108.56 1sym n ASP 61 Ca -0.10 -0.14 0.01 0.00 -1.51 0.00 0.00 54.79 53.05 1sym n ASP 61 Cb 0.23 -0.29 0.23 0.00 2.34 0.00 0.00 41.12 43.63 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 0.00 0.00 0.00 -0.67 4.81 0.35 -3.43 114.58 115.64 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 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1sym h GLU 62 CO 0.00 0.53 0.00 -0.25 -0.73 0.00 0.00 179.01 178.56 1sym n ASP 63 N -3.71 -1.10 0.00 1.04 8.00 -1.19 -5.01 116.55 114.58 1sym n ASP 63 Ca -0.01 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1sym n ASP 63 Cb 0.57 1.20 0.00 0.00 -0.02 0.00 0.00 41.12 42.87 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 0.75 2.39 0.57 0.44 0.00 -0.78 -4.75 105.19 103.81 1sym n GLY 64 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 1.21 -4.54 1.61 2.03 -1.26 -2.41 116.55 113.18 1sym n ASP 65 Ca 0.00 -2.66 -0.25 0.00 0.52 0.00 0.00 54.79 52.40 1sym n ASP 65 Cb 0.00 -0.35 0.13 0.00 -0.72 0.00 0.00 41.12 40.18 1sym n ASP 65 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1sym s GLY 66 N -2.15 1.76 -0.08 0.27 0.00 -1.26 -4.86 107.32 101.00 1sym s GLY 66 Ca 0.23 -1.72 -0.02 0.00 0.00 0.00 0.00 44.72 43.21 1sym s GLY 66 CO -0.03 -1.08 0.01 -0.54 0.00 0.00 0.00 173.10 171.45 1sym s GLU 67 N -5.31 2.98 0.24 2.90 2.02 -1.26 -2.60 118.70 117.67 1sym s GLU 67 Ca 0.69 -0.42 0.10 0.00 0.02 0.00 0.00 54.97 55.36 1sym s GLU 67 Cb -0.04 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 1sym s GLU 67 CO 0.46 0.70 -0.11 0.00 0.02 0.00 0.00 175.26 176.34 1sym n ASP 69 N -0.42 0.13 -0.06 0.00 8.00 -1.26 -1.55 116.55 121.39 1sym n ASP 69 Ca -0.08 -0.31 -0.21 0.00 0.71 0.00 0.00 54.79 54.90 1sym n ASP 69 Cb 0.58 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.55 1sym n ASP 69 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1sym h PHE 70 N 0.02 0.15 0.00 1.24 -0.00 -1.99 -3.06 116.94 113.30 1sym h PHE 70 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.97 57.86 1sym h PHE 70 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 35.94 1sym h PHE 70 CO 0.00 1.49 0.00 1.96 -0.00 0.00 0.00 178.31 181.76 1sym h GLN 71 N -0.73 0.00 0.00 6.09 4.20 -1.97 -1.21 115.11 121.48 1sym h GLN 71 Ca -0.31 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1sym h GLN 71 Cb 1.45 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.23 1sym h GLN 71 CO -0.10 0.00 -0.04 0.93 -0.67 0.00 0.00 178.83 178.96 1sym h GLU 72 N 0.00 0.00 0.00 1.46 4.39 -1.96 -1.51 114.58 116.96 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 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1sym h GLU 72 CO 0.00 0.06 0.00 0.35 -1.16 0.00 0.00 179.01 178.26 1sym h PHE 73 N -1.00 0.00 0.00 4.33 3.57 -1.55 0.81 116.94 123.10 1sym h PHE 73 Ca -0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1sym h PHE 73 Cb 0.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1sym h PHE 73 CO 0.00 0.00 -0.00 0.52 -2.23 0.00 0.00 178.31 176.60 1sym h MET 74 N 0.00 -0.00 0.00 1.11 2.86 -1.28 -2.84 114.93 114.78 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 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1sym h MET 74 CO 0.00 0.75 0.00 0.00 1.06 0.00 0.00 176.91 178.72 1sym h ALA 75 N -0.24 1.00 0.11 6.32 0.00 -0.92 -2.44 119.26 123.09 1sym h ALA 75 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1sym h ALA 75 Cb 0.76 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.56 1sym h ALA 75 CO 0.00 0.00 -1.21 0.74 0.00 0.00 0.00 179.25 178.78 1sym h PHE 76 N 0.00 0.79 -0.00 0.00 -1.00 -0.88 -2.42 116.94 113.44 1sym h PHE 76 Ca 0.00 -0.51 -0.16 0.00 2.81 0.00 0.00 57.97 60.11 1sym h PHE 76 Cb 0.35 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 1sym h PHE 76 CO 0.00 1.36 -0.77 0.28 -1.61 0.00 0.00 178.31 177.57 1sym h VAL 77 N 0.20 1.54 0.06 -0.55 2.07 -1.19 -3.15 116.25 115.24 1sym h VAL 77 Ca -0.16 -2.61 -0.27 0.00 0.82 0.00 0.00 66.70 64.48 1sym h VAL 77 Cb 1.89 2.41 0.02 0.00 -1.52 0.00 0.00 31.29 34.09 1sym h VAL 77 CO 0.22 0.75 -1.12 0.28 0.02 0.00 0.00 177.57 177.71 1sym h SER 78 N 0.01 0.74 0.04 0.57 0.02 -1.51 -2.66 113.55 110.77 1sym h SER 78 Ca -0.01 -0.65 -0.00 0.00 -0.84 0.00 0.00 61.79 60.29 1sym h SER 78 Cb 1.37 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1sym h SER 78 CO 0.10 1.46 -0.02 0.24 -1.14 0.00 0.00 176.83 177.47 1sym h MET 79 N 0.27 -0.06 -0.30 3.45 2.07 -1.47 -2.65 114.93 116.25 1sym h MET 79 Ca -0.14 0.00 -0.12 0.00 -2.07 0.00 0.00 59.70 57.38 1sym h MET 79 Cb 1.79 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 31.52 1sym h MET 79 CO 0.21 -0.01 -0.29 -0.39 1.07 0.00 0.00 176.91 177.50 1sym h VAL 80 N -0.09 1.28 0.00 -2.22 -1.51 -1.65 -0.21 116.25 111.85 1sym h VAL 80 Ca -0.01 -1.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.06 1sym h VAL 80 Cb 0.08 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1sym h VAL 80 CO 0.01 0.45 0.00 0.41 -1.23 0.00 0.00 177.57 177.21 1sym n THR 81 N -4.09 0.95 0.00 7.19 -1.04 -1.00 -2.34 114.28 113.95 1sym n THR 81 Ca -0.01 0.24 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1sym n THR 81 Cb 0.46 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 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 -1.39 0.00 -1.36 12.58 -2.24 -0.91 -4.70 114.28 116.25 1sym n THR 82 Ca 0.04 -0.45 -0.25 0.00 -2.27 0.00 0.00 64.05 61.11 1sym n THR 82 Cb 0.11 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.99 6.16 -2.79 6.98 0.00 -0.14 -4.81 120.51 124.93 1sym n ALA 83 Ca 0.00 -2.78 -0.20 0.00 0.00 0.00 0.00 53.44 50.46 1sym n ALA 83 Cb 0.00 -1.96 -0.15 0.00 0.00 0.00 0.00 19.45 17.34 1sym n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sym h HIS 85 N 6.07 -0.58 -2.94 0.00 2.76 -1.86 -3.39 115.15 115.20 1sym h HIS 85 Ca -0.32 -0.01 -0.59 0.00 -2.20 0.00 0.00 60.37 57.25 1sym h HIS 85 Cb 1.17 0.19 -0.11 0.00 1.55 0.00 0.00 27.41 30.22 1sym h HIS 85 CO 0.42 -0.36 0.73 -1.21 -1.30 0.00 0.00 177.93 176.20 1sym s GLU 86 N -3.98 3.30 0.00 5.26 0.41 -1.26 -4.93 118.70 117.49 1sym s GLU 86 Ca -0.09 -0.27 0.00 0.00 -0.41 0.00 0.00 54.97 54.20 1sym s GLU 86 Cb 0.01 -4.10 0.00 0.00 -1.78 0.00 0.00 34.13 28.26 1sym s GLU 86 CO 0.27 -1.71 0.00 1.97 -0.49 0.00 0.00 175.26 175.31 1sym n PHE 87 N 8.04 -0.66 -3.16 1.61 -1.74 -1.26 -4.89 117.46 115.39 1sym n PHE 87 Ca 0.02 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.77 1sym n PHE 87 Cb 0.48 0.00 0.07 0.00 1.52 0.00 0.00 39.48 41.54 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 0.00 -1.82 -0.74 2.97 3.01 -1.26 -4.61 117.46 115.01 1sym n PHE 88 Ca 0.00 0.74 -0.11 0.00 1.01 0.00 0.00 57.45 59.10 1sym n PHE 88 Cb 0.00 -4.33 -0.11 0.00 -0.01 0.00 0.00 39.48 35.03 1sym n PHE 88 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1sym n GLU 89 N -3.56 0.00 -0.12 -1.08 2.13 -1.26 -4.63 120.64 112.13 1sym n GLU 89 Ca -0.17 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.70 1sym n GLU 89 Cb 0.61 -0.50 0.10 0.00 0.27 0.00 0.00 31.44 31.92 1sym n GLU 89 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1sym n HIS 90 N 2.74 0.24 -0.07 4.31 1.44 -1.26 -5.34 115.22 117.29 1sym n HIS 90 Ca 0.33 -0.67 0.00 0.00 -2.01 0.00 0.00 57.72 55.37 1sym n HIS 90 Cb 0.08 -0.10 0.00 0.00 0.12 0.00 0.00 29.99 30.08 1sym n HIS 90 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62