#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpt n SER 2 N 0.00 -2.95 0.23 1.61 7.64 -1.26 -4.92 113.62 113.97 2jpt n SER 2 Ca 0.00 0.01 0.11 0.00 1.01 0.00 0.00 58.87 60.01 2jpt n SER 2 Cb 0.00 -0.62 0.47 0.00 -1.01 0.00 0.00 64.21 63.04 2jpt n SER 2 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2jpt h GLU 3 N 0.00 0.00 -0.00 1.43 4.39 -2.06 -3.16 114.58 115.17 2jpt h GLU 3 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2jpt h GLU 3 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2jpt h GLU 3 CO 0.02 0.18 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.94 2jpt h LEU 4 N 0.00 0.04 -1.75 1.33 -0.00 -2.00 -3.10 115.31 109.83 2jpt h LEU 4 Ca -0.00 -0.72 0.20 0.00 -0.00 0.00 0.00 57.88 57.37 2jpt h LEU 4 Cb 0.74 -0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.35 2jpt h LEU 4 CO 0.02 0.75 0.56 -0.33 -0.00 0.00 0.00 178.44 179.44 2jpt h GLU 5 N -0.67 0.21 -0.47 1.13 5.08 -1.97 0.21 114.58 118.09 2jpt h GLU 5 Ca -0.00 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2jpt h GLU 5 Cb 0.75 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2jpt h GLU 5 CO 0.01 0.14 -0.05 1.15 -1.00 0.00 0.00 179.01 179.25 2jpt h THR 6 N 0.22 1.27 -0.12 1.13 2.02 -1.53 -2.93 112.91 112.97 2jpt h THR 6 Ca 0.41 -1.15 -0.14 0.00 0.77 0.00 0.00 66.41 66.30 2jpt h THR 6 Cb 1.27 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 2jpt h THR 6 CO -0.09 0.40 -0.54 0.00 0.37 0.00 0.00 175.52 175.66 2jpt h ALA 7 N 0.90 0.86 -0.93 6.16 0.00 -0.62 -2.96 119.26 122.68 2jpt h ALA 7 Ca 0.13 -0.50 0.12 0.00 0.00 0.00 0.00 54.91 54.66 2jpt h ALA 7 Cb 0.58 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 2jpt h ALA 7 CO 0.03 0.69 0.55 0.52 0.00 0.00 0.00 179.25 181.04 2jpt h MET 8 N 0.26 0.84 -0.22 0.00 2.07 -0.81 -1.32 114.93 115.75 2jpt h MET 8 Ca 0.01 -0.05 -0.19 0.00 -2.07 0.00 0.00 59.70 57.40 2jpt h MET 8 Cb 1.03 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 30.58 2jpt h MET 8 CO 0.09 0.55 -0.59 0.93 1.07 0.00 0.00 176.91 178.96 2jpt h GLU 9 N 0.86 0.80 -0.59 1.72 5.08 -1.45 -2.27 114.58 118.73 2jpt h GLU 9 Ca 0.47 -0.56 0.09 0.00 -1.00 0.00 0.00 59.36 58.36 2jpt h GLU 9 Cb 0.50 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.77 2jpt h GLU 9 CO -0.28 1.18 0.21 1.15 -1.00 0.00 0.00 179.01 180.27 2jpt h THR 10 N 0.54 0.77 -0.12 1.13 2.02 -1.12 1.41 112.91 117.55 2jpt h THR 10 Ca -0.01 -0.13 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 2jpt h THR 10 Cb 1.21 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2jpt h THR 10 CO 0.13 0.07 -0.61 -0.07 0.37 0.00 0.00 175.52 175.41 2jpt h LEU 11 N 0.39 0.45 -0.05 2.58 3.38 -1.34 -1.97 115.31 118.75 2jpt h LEU 11 Ca 0.30 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 2jpt h LEU 11 Cb 0.36 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.99 2jpt h LEU 11 CO -0.30 0.95 -0.57 0.40 0.09 0.00 0.00 178.44 179.01 2jpt h ILE 12 N 0.29 1.39 0.53 1.22 2.04 -0.64 -2.86 117.51 119.48 2jpt h ILE 12 Ca -0.01 -1.95 -0.03 0.00 1.00 0.00 0.00 64.86 63.88 2jpt h ILE 12 Cb 1.14 2.37 0.01 0.00 -0.74 0.00 0.00 36.82 39.60 2jpt h ILE 12 CO 0.10 0.58 -0.25 0.78 0.00 0.00 0.00 178.15 179.36 2jpt h ASN 13 N 0.04 -0.60 -0.98 1.72 2.35 0.18 0.27 115.58 118.56 2jpt h ASN 13 Ca -0.06 -0.04 0.18 0.00 -0.55 0.00 0.00 56.30 55.83 2jpt h ASN 13 Cb 1.24 0.15 -0.10 0.00 0.05 0.00 0.00 38.32 39.67 2jpt h ASN 13 CO 0.11 -0.31 0.61 1.62 -1.65 0.00 0.00 177.43 177.82 2jpt h VAL 14 N -0.88 0.73 0.03 2.81 3.04 -1.48 0.18 116.25 120.68 2jpt h VAL 14 Ca -0.07 -0.25 -0.00 0.00 -1.01 0.00 0.00 66.70 65.37 2jpt h VAL 14 Cb 0.61 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 2jpt h VAL 14 CO 0.12 0.13 -0.01 0.15 -1.01 0.00 0.00 177.57 176.95 2jpt h PHE 15 N 0.72 -0.03 -0.39 3.17 3.57 -1.33 -3.11 116.94 119.54 2jpt h PHE 15 Ca 0.55 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.16 2jpt h PHE 15 Cb 0.90 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 2jpt h PHE 15 CO -0.00 0.55 0.36 1.25 -2.23 0.00 0.00 178.31 178.23 2jpt h HIS 16 N -0.64 0.00 -0.86 0.41 2.76 0.42 0.51 115.15 117.74 2jpt h HIS 16 Ca -0.00 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 2jpt h HIS 16 Cb 0.60 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.50 2jpt h HIS 16 CO 0.13 0.00 0.56 0.00 -1.30 0.00 0.00 177.93 177.33 2jpt h ALA 17 N 1.66 1.52 -3.00 5.26 0.00 -0.92 -3.38 119.26 120.40 2jpt h ALA 17 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jpt h ALA 17 Cb 0.90 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jpt h ALA 17 CO -0.00 0.37 0.00 0.72 0.00 0.00 0.00 179.25 180.34 2jpt n HIS 18 N -4.47 0.00 -4.62 0.00 -0.00 0.17 -4.98 115.22 101.32 2jpt n HIS 18 Ca 0.12 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.53 2jpt n HIS 18 Cb 0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.04 2jpt n HIS 18 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2jpt s SER 19 N -1.26 4.19 -0.07 0.41 0.01 -1.24 -5.03 113.70 110.71 2jpt s SER 19 Ca 0.00 -0.26 -0.02 0.00 1.31 0.00 0.00 55.95 56.98 2jpt s SER 19 Cb 0.00 -0.86 -0.04 0.00 0.21 0.00 0.00 66.02 65.34 2jpt s SER 19 CO 0.00 0.29 -0.07 0.61 0.41 0.00 0.00 173.24 174.47 2jpt n GLY 20 N 1.71 -0.10 2.23 3.44 0.00 -1.26 -4.61 105.19 106.60 2jpt n GLY 20 Ca -0.16 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 2jpt n GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jpt n LYS 21 N -3.01 2.34 -0.94 1.61 4.81 -1.26 -4.99 118.16 116.72 2jpt n LYS 21 Ca -0.13 -3.01 -0.37 0.00 -0.87 0.00 0.00 58.31 53.93 2jpt n LYS 21 Cb 0.61 -2.18 -0.09 0.00 0.02 0.00 0.00 35.03 33.39 2jpt n LYS 21 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2jpt n GLU 22 N -1.04 0.00 -0.19 1.64 0.28 -1.26 -4.68 120.64 115.39 2jpt n GLU 22 Ca 0.59 0.00 0.30 0.00 -0.16 0.00 0.00 57.16 57.89 2jpt n GLU 22 Cb 1.37 -1.05 0.72 0.00 1.43 0.00 0.00 31.44 33.91 2jpt n GLU 22 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2jpt h GLY 23 N 7.08 0.00 -5.24 -1.84 0.00 -2.01 -3.38 103.07 97.68 2jpt h GLY 23 Ca -0.06 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.59 2jpt h GLY 23 CO 0.84 0.00 -0.68 -0.35 0.00 0.00 0.00 176.54 176.35 2jpt s ASP 24 N -5.30 4.75 0.35 0.19 -1.08 -1.26 -5.07 116.67 109.24 2jpt s ASP 24 Ca -0.05 -0.01 -0.19 0.00 -0.52 0.00 0.00 52.55 51.78 2jpt s ASP 24 Cb 0.21 -1.30 -0.14 0.00 -1.46 0.00 0.00 42.92 40.23 2jpt s ASP 24 CO 0.73 0.34 0.08 0.29 0.52 0.00 0.00 175.17 177.13 2jpt n LYS 25 N 2.40 0.00 -1.36 4.34 5.02 -1.26 -4.40 118.16 122.90 2jpt n LYS 25 Ca -0.18 0.00 -0.52 0.00 -2.02 0.00 0.00 58.31 55.59 2jpt n LYS 25 Cb 0.53 -0.87 -0.13 0.00 -0.02 0.00 0.00 35.03 34.54 2jpt n LYS 25 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 2jpt n TYR 26 N -0.87 0.93 -3.73 2.13 4.11 -1.26 -4.88 117.16 113.60 2jpt n TYR 26 Ca 0.10 0.59 -0.17 0.00 -0.00 0.00 0.00 57.90 58.42 2jpt n TYR 26 Cb 0.35 -2.34 -0.16 0.00 -0.00 0.00 0.00 39.34 37.18 2jpt n TYR 26 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2jpt s LYS 27 N 7.25 -0.03 -0.06 -3.48 1.02 -1.26 -4.66 119.74 118.52 2jpt s LYS 27 Ca 1.26 0.30 0.00 0.00 0.02 0.00 0.00 55.97 57.55 2jpt s LYS 27 Cb -1.37 -0.33 0.02 0.00 -0.52 0.00 0.00 37.83 35.64 2jpt s LYS 27 CO 0.58 -0.23 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.24 2jpt s LEU 28 N 1.53 1.06 0.90 3.17 1.43 -1.16 -5.05 118.68 120.55 2jpt s LEU 28 Ca -0.04 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 2jpt s LEU 28 Cb -0.12 -0.49 0.13 0.00 0.03 0.00 0.00 46.19 45.73 2jpt s LEU 28 CO -0.04 -0.11 1.10 -0.55 0.23 0.00 0.00 176.35 176.98 2jpt s SER 29 N 1.36 3.53 0.23 2.29 0.15 -1.26 -0.70 113.70 119.30 2jpt s SER 29 Ca -0.04 1.34 -0.06 0.00 0.70 0.00 0.00 55.95 57.89 2jpt s SER 29 Cb -0.13 -2.02 0.40 0.00 -1.71 0.00 0.00 66.02 62.56 2jpt s SER 29 CO -0.03 -2.58 1.70 0.07 1.20 0.00 0.00 173.24 173.60 2jpt h LYS 30 N -1.51 0.30 -0.06 5.44 2.10 -1.80 -1.02 116.57 120.01 2jpt h LYS 30 Ca -0.50 -0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.15 2jpt h LYS 30 Cb 1.29 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 2jpt h LYS 30 CO 0.57 0.20 -0.03 0.87 -2.00 0.00 0.00 179.45 179.06 2jpt h LYS 31 N 0.31 -0.02 -0.85 0.07 1.57 -1.91 0.41 116.57 116.15 2jpt h LYS 31 Ca 0.38 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 59.36 2jpt h LYS 31 Cb 0.61 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.80 2jpt h LYS 31 CO -0.45 -0.01 0.35 0.93 -0.57 0.00 0.00 179.45 179.70 2jpt h GLU 32 N -0.02 0.38 0.13 3.15 3.07 -1.55 1.44 114.58 121.19 2jpt h GLU 32 Ca 0.03 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 2jpt h GLU 32 Cb 0.07 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 2jpt h GLU 32 CO -0.08 0.25 -0.06 1.25 -1.40 0.00 0.00 179.01 178.98 2jpt h LEU 33 N 0.39 -0.15 -0.85 1.33 6.46 -0.80 -1.11 115.31 120.59 2jpt h LEU 33 Ca 0.51 -0.36 0.13 0.00 -0.12 0.00 0.00 57.88 58.04 2jpt h LEU 33 Cb 0.93 0.04 -0.09 0.00 -0.73 0.00 0.00 40.66 40.81 2jpt h LEU 33 CO -0.51 0.46 0.47 0.50 -0.62 0.00 0.00 178.44 178.74 2jpt h LYS 34 N -0.93 0.69 -0.09 1.25 3.64 0.39 -0.53 116.57 120.99 2jpt h LYS 34 Ca -0.02 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 2jpt h LYS 34 Cb 0.50 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2jpt h LYS 34 CO 0.03 0.46 -0.58 0.93 -2.27 0.00 0.00 179.45 178.01 2jpt h GLU 35 N 0.71 0.28 -0.11 1.90 4.39 0.19 -3.00 114.58 118.93 2jpt h GLU 35 Ca 0.44 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 60.00 2jpt h GLU 35 Cb 0.54 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.15 2jpt h GLU 35 CO -0.31 0.78 -0.44 1.25 -1.16 0.00 0.00 179.01 179.13 2jpt h LEU 36 N 0.21 -1.37 0.30 1.33 6.46 0.26 0.78 115.31 123.28 2jpt h LEU 36 Ca -0.00 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 2jpt h LEU 36 Cb 1.08 0.55 0.00 0.00 -0.73 0.00 0.00 40.66 41.57 2jpt h LEU 36 CO 0.09 -0.44 -0.15 -0.07 -0.62 0.00 0.00 178.44 177.26 2jpt h LEU 37 N -0.52 -0.34 -0.61 2.25 4.07 -1.62 -2.40 115.31 116.14 2jpt h LEU 37 Ca 0.07 -0.19 0.12 0.00 0.08 0.00 0.00 57.88 57.96 2jpt h LEU 37 Cb 0.64 0.09 -0.11 0.00 1.08 0.00 0.00 40.66 42.36 2jpt h LEU 37 CO -0.39 0.05 -0.11 1.56 -1.08 0.00 0.00 178.44 178.47 2jpt h GLN 38 N -0.80 0.03 -0.02 1.13 4.20 -1.38 1.78 115.11 120.05 2jpt h GLN 38 Ca -0.04 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2jpt h GLN 38 Cb 0.51 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 2jpt h GLN 38 CO 0.07 0.02 0.01 1.79 -0.67 0.00 0.00 178.83 180.05 2jpt h THR 39 N 0.03 0.98 0.00 -0.54 1.35 0.57 3.55 112.91 118.84 2jpt h THR 39 Ca 0.30 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.12 2jpt h THR 39 Cb 0.47 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 2jpt h THR 39 CO -0.59 0.00 -0.25 -0.33 -0.25 0.00 0.00 175.52 174.10 2jpt h GLU 40 N 0.00 0.00 -0.55 4.72 3.07 0.15 -3.37 114.58 118.59 2jpt h GLU 40 Ca 0.01 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.61 2jpt h GLU 40 Cb 0.03 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.79 2jpt h GLU 40 CO -0.00 0.77 0.16 1.47 -1.40 0.00 0.00 179.01 180.01 2jpt n LEU 41 N -4.61 5.00 -0.24 1.33 -0.00 0.52 -4.73 117.00 114.27 2jpt n LEU 41 Ca -0.12 -3.62 -0.00 0.00 -0.00 0.00 0.00 56.01 52.27 2jpt n LEU 41 Cb 0.42 -0.69 0.07 0.00 -0.00 0.00 0.00 43.42 43.21 2jpt n LEU 41 CO 0.24 1.11 0.71 0.77 -0.00 0.00 0.00 177.39 180.22 2jpt h SER 42 N 1.22 -0.74 0.27 1.45 4.64 0.65 0.88 113.55 121.93 2jpt h SER 42 Ca 0.32 0.22 -0.25 0.00 -0.47 0.00 0.00 61.79 61.60 2jpt h SER 42 Cb 2.03 0.46 0.01 0.00 -0.31 0.00 0.00 62.40 64.60 2jpt h SER 42 CO 0.60 -0.25 -1.05 1.23 -0.87 0.00 0.00 176.83 176.49 2jpt h GLY 43 N -0.02 0.55 0.56 -0.77 0.00 -1.85 -3.26 103.07 98.27 2jpt h GLY 43 Ca 0.33 -1.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 2jpt h GLY 43 CO -0.73 0.91 -0.27 -2.75 0.00 0.00 0.00 176.54 173.71 2jpt h PHE 44 N 0.25 -0.70 0.00 5.60 3.04 -1.52 -2.98 116.94 120.63 2jpt h PHE 44 Ca -0.12 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.82 2jpt h PHE 44 Cb 1.71 0.23 0.00 0.00 2.56 0.00 0.00 35.95 40.45 2jpt h PHE 44 CO 0.08 -0.43 0.37 1.37 -2.02 0.00 0.00 178.31 177.68 2jpt h LEU 45 N -1.19 0.00 -2.08 0.59 -0.00 0.58 0.24 115.31 113.45 2jpt h LEU 45 Ca -0.08 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.90 2jpt h LEU 45 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.22 2jpt h LEU 45 CO 0.13 0.00 0.31 -0.78 -0.00 0.00 0.00 178.44 178.10 2jpt h ASP 46 N 0.00 0.00 1.19 0.17 3.58 -1.56 0.54 116.42 120.34 2jpt h ASP 46 Ca 0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 2jpt h ASP 46 Cb 0.75 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 2jpt h ASP 46 CO 0.00 0.00 -0.85 0.00 -2.88 0.00 0.00 179.24 175.51 2jpt h ALA 47 N 1.69 0.66 0.00 -0.78 0.00 -0.70 -3.29 119.26 116.84 2jpt h ALA 47 Ca 0.16 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 2jpt h ALA 47 Cb 0.79 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2jpt h ALA 47 CO -0.00 0.71 -0.76 1.96 0.00 0.00 0.00 179.25 181.16 2jpt h GLN 48 N 0.00 0.00 -1.52 0.00 4.20 -0.15 -3.28 115.11 114.37 2jpt h GLN 48 Ca -0.06 0.00 0.45 0.00 0.06 0.00 0.00 58.65 59.10 2jpt h GLN 48 Cb 1.44 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.15 2jpt h GLN 48 CO 0.06 0.71 1.07 0.87 -0.67 0.00 0.00 178.83 180.86 2jpt h LYS 49 N 0.00 0.04 -0.02 1.46 1.79 -1.04 1.92 116.57 120.72 2jpt h LYS 49 Ca -0.02 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2jpt h LYS 49 Cb 1.56 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.20 2jpt h LYS 49 CO 0.09 0.03 0.02 0.22 -1.08 0.00 0.00 179.45 178.72 2jpt h ASP 50 N 0.04 0.00 -3.13 0.86 1.82 -1.79 -3.40 116.42 110.82 2jpt h ASP 50 Ca 0.76 0.00 -0.61 0.00 -0.39 0.00 0.00 57.03 56.80 2jpt h ASP 50 Cb 2.88 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 42.81 2jpt h ASP 50 CO -0.10 0.00 -0.31 0.00 -1.61 0.00 0.00 179.24 177.22 2jpt s ALA 51 N -4.92 3.65 -0.01 -0.78 0.00 0.65 -4.97 121.76 115.40 2jpt s ALA 51 Ca -0.05 -0.41 0.32 0.00 0.00 0.00 0.00 51.96 51.82 2jpt s ALA 51 Cb 0.16 -2.34 1.24 0.00 0.00 0.00 0.00 23.12 22.18 2jpt s ALA 51 CO 0.63 0.26 1.93 0.38 0.00 0.00 0.00 175.76 178.96 2jpt h ASP 52 N 5.93 0.00 -0.72 0.00 2.03 -1.81 -3.05 116.42 118.80 2jpt h ASP 52 Ca -0.46 0.00 0.21 0.00 -0.73 0.00 0.00 57.03 56.05 2jpt h ASP 52 Cb 1.19 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.66 2jpt h ASP 52 CO 0.69 0.00 0.59 0.00 -1.03 0.00 0.00 179.24 179.49 2jpt h ALA 53 N 2.03 2.59 -0.43 4.15 0.00 -1.93 0.14 119.26 125.82 2jpt h ALA 53 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2jpt h ALA 53 Cb 0.54 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2jpt h ALA 53 CO 0.00 -0.96 0.12 -0.39 0.00 0.00 0.00 179.25 178.02 2jpt h VAL 54 N 0.00 0.82 0.00 0.00 -1.51 -1.83 -0.40 116.25 113.34 2jpt h VAL 54 Ca 0.34 -0.09 -0.04 0.00 -1.23 0.00 0.00 66.70 65.68 2jpt h VAL 54 Cb 1.51 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 2jpt h VAL 54 CO -0.00 0.05 -0.21 -0.78 -1.23 0.00 0.00 177.57 175.40 2jpt h ASP 55 N 0.27 0.00 -0.74 4.19 3.58 -1.21 -2.86 116.42 119.64 2jpt h ASP 55 Ca 0.20 0.00 0.16 0.00 0.42 0.00 0.00 57.03 57.81 2jpt h ASP 55 Cb 0.23 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.17 2jpt h ASP 55 CO -0.24 0.21 0.19 0.50 -2.88 0.00 0.00 179.24 177.02 2jpt h LYS 56 N 0.00 0.28 -0.03 0.28 3.64 -0.98 0.14 116.57 119.90 2jpt h LYS 56 Ca -0.00 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 2jpt h LYS 56 Cb 0.39 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2jpt h LYS 56 CO 0.03 0.18 -0.76 -0.39 -2.27 0.00 0.00 179.45 176.24 2jpt h VAL 57 N 0.28 1.44 -0.16 2.00 -1.51 -1.51 -3.06 116.25 113.74 2jpt h VAL 57 Ca 0.42 -2.34 0.03 0.00 -1.23 0.00 0.00 66.70 63.59 2jpt h VAL 57 Cb 0.71 2.26 -0.01 0.00 -2.13 0.00 0.00 31.29 32.12 2jpt h VAL 57 CO -0.50 0.69 0.11 0.24 -1.23 0.00 0.00 177.57 176.87 2jpt h MET 58 N 0.15 0.05 -0.74 5.19 2.86 -0.71 -1.10 114.93 120.62 2jpt h MET 58 Ca -0.03 -0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.81 2jpt h MET 58 Cb 1.34 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 2jpt h MET 58 CO 0.12 0.03 0.53 -0.22 1.06 0.00 0.00 176.91 178.43 2jpt h LYS 59 N 0.05 0.06 0.41 1.72 3.64 -1.12 1.54 116.57 122.87 2jpt h LYS 59 Ca 0.07 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2jpt h LYS 59 Cb 0.22 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2jpt h LYS 59 CO -0.01 0.04 -0.20 0.93 -2.27 0.00 0.00 179.45 177.95 2jpt h GLU 60 N 0.06 -0.53 0.00 1.90 5.08 -1.38 -2.88 114.58 116.83 2jpt h GLU 60 Ca 0.36 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.67 2jpt h GLU 60 Cb 1.33 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2jpt h GLU 60 CO -0.03 -0.22 -0.41 1.37 -1.00 0.00 0.00 179.01 178.72 2jpt h LEU 61 N -0.98 0.00 -0.36 1.33 8.10 -1.48 -3.24 115.31 118.69 2jpt h LEU 61 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.94 2jpt h LEU 61 Cb 0.55 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.75 2jpt h LEU 61 CO 0.09 0.41 0.24 -0.78 -4.11 0.00 0.00 178.44 174.29 2jpt h ASP 62 N 0.00 0.41 -0.62 0.17 3.58 0.21 -1.33 116.42 118.84 2jpt h ASP 62 Ca -0.00 -0.01 0.18 0.00 0.42 0.00 0.00 57.03 57.61 2jpt h ASP 62 Cb 1.12 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 2jpt h ASP 62 CO 0.05 0.30 0.52 -0.08 -2.88 0.00 0.00 179.24 177.15 2jpt h GLU 63 N 0.48 0.00 -0.90 0.28 4.81 -1.53 0.69 114.58 118.41 2jpt h GLU 63 Ca 0.13 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 2jpt h GLU 63 Cb -0.06 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 2jpt h GLU 63 CO -0.03 0.00 0.13 -0.25 -0.73 0.00 0.00 179.01 178.14 2jpt n ASP 64 N -4.04 3.21 -0.16 1.04 8.00 -0.50 -4.62 116.55 119.48 2jpt n ASP 64 Ca 0.12 -2.55 0.07 0.00 0.71 0.00 0.00 54.79 53.14 2jpt n ASP 64 Cb 0.76 -0.61 0.13 0.00 -0.02 0.00 0.00 41.12 41.38 2jpt n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jpt n GLY 65 N 0.05 -0.62 0.00 0.44 0.00 0.24 0.17 105.19 105.47 2jpt n GLY 65 Ca 0.19 0.45 0.05 0.00 0.00 0.00 0.00 46.02 46.70 2jpt n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jpt n ASP 66 N -4.50 1.28 -2.99 1.61 8.00 -1.26 -4.93 116.55 113.76 2jpt n ASP 66 Ca 0.11 -0.46 -0.10 0.00 0.71 0.00 0.00 54.79 55.05 2jpt n ASP 66 Cb 0.35 1.17 0.05 0.00 -0.02 0.00 0.00 41.12 42.68 2jpt n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jpt n GLY 67 N 1.49 0.39 1.73 0.44 0.00 0.44 -4.99 105.19 104.68 2jpt n GLY 67 Ca 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 2jpt n GLY 67 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jpt n GLU 68 N -1.82 0.75 -4.08 1.61 0.28 -1.26 -3.27 120.64 112.85 2jpt n GLU 68 Ca 0.07 -1.78 -0.15 0.00 -0.16 0.00 0.00 57.16 55.14 2jpt n GLU 68 Cb 0.24 0.97 -0.15 0.00 1.43 0.00 0.00 31.44 33.93 2jpt n GLU 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2jpt s VAL 69 N -2.33 0.31 0.00 3.84 0.11 0.12 -4.84 120.40 117.61 2jpt s VAL 69 Ca 0.11 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 2jpt s VAL 69 Cb 0.01 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.57 2jpt s VAL 69 CO 0.08 0.10 0.00 -0.67 -3.33 0.00 0.00 175.10 171.28 2jpt n ASP 70 N 3.17 0.00 0.00 3.54 2.03 -1.26 -3.00 116.55 121.03 2jpt n ASP 70 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2jpt n ASP 70 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 2jpt n ASP 70 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2jpt n PHE 71 N 0.00 -0.63 -0.18 -0.67 7.35 -1.26 -3.39 117.46 118.68 2jpt n PHE 71 Ca 0.00 0.00 0.25 0.00 -0.76 0.00 0.00 57.45 56.94 2jpt n PHE 71 Cb 0.00 0.13 0.66 0.00 0.35 0.00 0.00 39.48 40.61 2jpt n PHE 71 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 2jpt h GLN 72 N 0.00 0.12 -0.34 -4.13 7.50 -1.97 0.21 115.11 116.50 2jpt h GLN 72 Ca 0.00 -0.01 0.10 0.00 0.50 0.00 0.00 58.65 59.24 2jpt h GLN 72 Cb 0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.49 2jpt h GLN 72 CO 0.00 0.08 0.67 0.93 -1.50 0.00 0.00 178.83 179.01 2jpt h GLU 73 N 0.12 0.00 0.00 1.46 5.08 -1.95 0.36 114.58 119.65 2jpt h GLU 73 Ca 0.42 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.74 2jpt h GLU 73 Cb 1.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2jpt h GLU 73 CO -0.06 0.00 -0.23 0.10 -1.00 0.00 0.00 179.01 177.82 2jpt h TYR 74 N 0.00 0.00 0.11 4.33 -0.00 -1.35 -3.23 116.97 116.82 2jpt h TYR 74 Ca 0.16 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.91 2jpt h TYR 74 Cb 1.50 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 38.19 2jpt h TYR 74 CO 0.00 0.23 -0.51 -0.39 -0.00 0.00 0.00 178.16 177.49 2jpt h VAL 75 N 0.00 0.00 -0.89 -0.90 -1.51 -0.49 -1.35 116.25 111.11 2jpt h VAL 75 Ca -0.00 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.61 2jpt h VAL 75 Cb 0.49 0.00 -0.07 0.00 -2.13 0.00 0.00 31.29 29.58 2jpt h VAL 75 CO 0.03 0.00 0.58 1.62 -1.23 0.00 0.00 177.57 178.57 2jpt h VAL 76 N -0.72 0.83 -0.98 7.19 3.04 -1.75 0.18 116.25 124.03 2jpt h VAL 76 Ca -0.00 -0.23 0.19 0.00 -1.01 0.00 0.00 66.70 65.64 2jpt h VAL 76 Cb 0.73 0.08 -0.09 0.00 -2.01 0.00 0.00 31.29 30.00 2jpt h VAL 76 CO -0.28 0.12 0.61 0.25 -1.01 0.00 0.00 177.57 177.27 2jpt h LEU 77 N 0.68 0.68 -1.08 3.16 5.85 -1.32 1.05 115.31 124.34 2jpt h LEU 77 Ca 0.45 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 59.16 2jpt h LEU 77 Cb 0.74 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2jpt h LEU 77 CO -0.21 0.25 -0.30 0.58 -0.34 0.00 0.00 178.44 178.43 2jpt h VAL 78 N 0.67 1.26 -0.48 1.05 2.07 -0.30 -2.87 116.25 117.66 2jpt h VAL 78 Ca 0.55 -1.26 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 2jpt h VAL 78 Cb 0.97 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 2jpt h VAL 78 CO -0.32 0.38 -0.04 0.00 0.02 0.00 0.00 177.57 177.61 2jpt h ALA 79 N 1.45 0.65 -0.80 1.67 0.00 0.13 -0.54 119.26 121.82 2jpt h ALA 79 Ca 0.04 -0.30 0.16 0.00 0.00 0.00 0.00 54.91 54.80 2jpt h ALA 79 Cb 0.66 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 2jpt h ALA 79 CO 0.05 0.49 0.33 0.00 0.00 0.00 0.00 179.25 180.13 2jpt h ALA 80 N 0.91 1.17 0.01 0.00 0.00 -0.81 0.20 119.26 120.73 2jpt h ALA 80 Ca 0.13 0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 2jpt h ALA 80 Cb 0.57 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2jpt h ALA 80 CO 0.03 -0.22 -0.89 1.25 0.00 0.00 0.00 179.25 179.42 2jpt h LEU 81 N 0.45 0.23 0.40 0.00 6.46 -1.53 -3.10 115.31 118.21 2jpt h LEU 81 Ca 0.45 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 58.02 2jpt h LEU 81 Cb 0.73 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 2jpt h LEU 81 CO -0.43 1.01 -0.47 0.74 -0.62 0.00 0.00 178.44 178.67 2jpt h THR 82 N 0.09 0.08 -0.77 1.05 2.02 0.10 0.29 112.91 115.77 2jpt h THR 82 Ca -0.04 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.18 2jpt h THR 82 Cb 1.53 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 2jpt h THR 82 CO 0.13 0.00 0.51 1.62 0.37 0.00 0.00 175.52 178.15 2jpt h VAL 83 N -0.89 1.09 0.15 3.16 3.04 -1.30 0.15 116.25 121.66 2jpt h VAL 83 Ca -0.04 -0.31 -0.01 0.00 -1.01 0.00 0.00 66.70 65.33 2jpt h VAL 83 Cb 0.80 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 2jpt h VAL 83 CO -0.10 0.17 -0.07 0.00 -1.01 0.00 0.00 177.57 176.55 2jpt h ALA 84 N 1.56 -0.20 -0.75 3.17 0.00 -1.32 -2.00 119.26 119.71 2jpt h ALA 84 Ca 0.31 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2jpt h ALA 84 Cb 0.10 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2jpt h ALA 84 CO -0.10 -0.53 0.25 0.00 0.00 0.00 0.00 179.25 178.88 2jpt h ASN 86 N 1.11 0.52 -0.08 0.00 -1.24 -0.59 -0.38 115.58 114.92 2jpt h ASN 86 Ca 0.24 0.04 -0.04 0.00 0.71 0.00 0.00 56.30 57.25 2jpt h ASN 86 Cb 0.29 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 2jpt h ASN 86 CO -0.01 0.32 -0.06 0.78 -1.29 0.00 0.00 177.43 177.17 2jpt h ASN 87 N 0.65 0.31 0.21 1.15 2.35 -1.07 0.35 115.58 119.53 2jpt h ASN 87 Ca 0.32 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 2jpt h ASN 87 Cb 0.26 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2jpt h ASN 87 CO -0.22 0.41 -0.10 0.15 -1.65 0.00 0.00 177.43 176.02 2jpt h PHE 88 N 0.32 -0.26 0.00 1.19 3.04 -0.79 -3.29 116.94 117.14 2jpt h PHE 88 Ca 0.07 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 2jpt h PHE 88 Cb 0.31 0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.91 2jpt h PHE 88 CO 0.01 -0.02 -0.00 0.74 -2.02 0.00 0.00 178.31 177.01 2jpt h PHE 89 N -0.47 -0.00 -3.27 0.41 -1.00 -1.21 -3.45 116.94 107.94 2jpt h PHE 89 Ca -0.03 -0.00 -0.64 0.00 2.81 0.00 0.00 57.97 60.11 2jpt h PHE 89 Cb 0.36 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 39.80 2jpt h PHE 89 CO -0.01 0.60 -0.66 -1.58 -1.61 0.00 0.00 178.31 175.05 2jpt s TRP 90 N -3.78 2.96 0.30 -0.55 0.23 0.12 -5.12 118.94 113.10 2jpt s TRP 90 Ca -0.17 -0.05 -0.06 0.00 -2.03 0.00 0.00 56.10 53.79 2jpt s TRP 90 Cb 0.01 -1.51 -0.00 0.00 0.03 0.00 0.00 33.47 32.00 2jpt s TRP 90 CO 0.67 0.48 0.44 -1.83 0.96 0.00 0.00 176.95 177.68 2jpt s GLU 91 N -2.43 1.72 0.09 4.98 -1.05 -1.26 -3.75 118.70 117.00 2jpt s GLU 91 Ca 0.26 -1.57 -0.04 0.00 -0.15 0.00 0.00 54.97 53.48 2jpt s GLU 91 Cb -0.11 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 33.99 2jpt s GLU 91 CO 0.18 -0.70 0.08 0.54 0.95 0.00 0.00 175.26 176.31 2jpt s ASN 92 N -3.15 0.31 0.00 0.83 6.03 -1.26 -5.15 114.94 112.54 2jpt s ASN 92 Ca 0.28 -0.96 0.29 0.00 -1.03 0.00 0.00 52.86 51.44 2jpt s ASN 92 Cb 0.00 0.29 1.34 0.00 -3.03 0.00 0.00 41.25 39.85 2jpt s ASN 92 CO 0.15 -0.70 1.91 -0.24 -2.03 0.00 0.00 177.10 176.19