#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 -4.78 0.19 1.61 3.41 -1.26 -4.83 113.62 107.96 2jpt n SER 2 Ca 0.00 0.16 0.06 0.00 -0.26 0.00 0.00 58.87 58.82 2jpt n SER 2 Cb 0.00 -4.07 0.33 0.00 -0.26 0.00 0.00 64.21 60.21 2jpt n SER 2 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jpt h GLU 3 N 0.00 0.00 -0.02 4.33 4.39 -2.06 -3.19 114.58 118.03 2jpt h GLU 3 Ca -0.38 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.28 2jpt h GLU 3 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2jpt h GLU 3 CO 0.47 0.38 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.48 2jpt h LEU 4 N 0.00 0.16 -1.81 1.33 -0.00 -2.00 -3.12 115.31 109.87 2jpt h LEU 4 Ca -0.00 -0.71 0.24 0.00 -0.00 0.00 0.00 57.88 57.41 2jpt h LEU 4 Cb 0.91 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.48 2jpt h LEU 4 CO 0.05 0.84 0.62 -0.33 -0.00 0.00 0.00 178.44 179.62 2jpt h GLU 5 N -0.51 0.14 -0.28 1.13 5.08 -1.95 0.50 114.58 118.69 2jpt h GLU 5 Ca -0.01 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2jpt h GLU 5 Cb 0.85 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2jpt h GLU 5 CO 0.03 0.09 -0.07 1.15 -1.00 0.00 0.00 179.01 179.21 2jpt h THR 6 N 0.15 1.28 -0.07 1.13 2.02 -1.54 -3.00 112.91 112.88 2jpt h THR 6 Ca 0.44 -1.10 -0.15 0.00 0.77 0.00 0.00 66.41 66.38 2jpt h THR 6 Cb 1.51 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.34 2jpt h THR 6 CO -0.08 0.35 -0.61 0.00 0.37 0.00 0.00 175.52 175.55 2jpt h ALA 7 N 0.77 0.83 -0.82 6.16 0.00 -0.53 -3.06 119.26 122.62 2jpt h ALA 7 Ca 0.07 -0.55 0.15 0.00 0.00 0.00 0.00 54.91 54.58 2jpt h ALA 7 Cb 0.55 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 2jpt h ALA 7 CO 0.03 0.73 0.39 0.52 0.00 0.00 0.00 179.25 180.93 2jpt h MET 8 N 0.18 0.55 -0.16 0.00 2.07 -0.05 -0.40 114.93 117.12 2jpt h MET 8 Ca -0.01 -0.03 -0.19 0.00 -2.07 0.00 0.00 59.70 57.40 2jpt h MET 8 Cb 1.12 -0.12 -0.00 0.00 -1.87 0.00 0.00 31.60 30.73 2jpt h MET 8 CO 0.10 0.36 -0.66 0.93 1.07 0.00 0.00 176.91 178.71 2jpt h GLU 9 N 0.56 0.60 -0.45 1.72 5.08 -1.48 -2.71 114.58 117.91 2jpt h GLU 9 Ca 0.45 -0.44 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2jpt h GLU 9 Cb 0.65 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2jpt h GLU 9 CO -0.38 1.06 0.08 1.15 -1.00 0.00 0.00 179.01 179.92 2jpt h THR 10 N 0.44 0.74 -0.27 1.13 2.02 -1.00 1.68 112.91 117.65 2jpt h THR 10 Ca -0.02 -0.07 -0.14 0.00 0.77 0.00 0.00 66.41 66.95 2jpt h THR 10 Cb 1.24 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2jpt h THR 10 CO 0.13 0.04 -0.39 -0.07 0.37 0.00 0.00 175.52 175.59 2jpt h LEU 11 N 0.21 0.68 -0.10 2.58 3.38 -1.39 -1.73 115.31 118.93 2jpt h LEU 11 Ca 0.22 -0.30 -0.21 0.00 0.09 0.00 0.00 57.88 57.68 2jpt h LEU 11 Cb 0.29 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.86 2jpt h LEU 11 CO -0.30 1.00 -0.77 0.40 0.09 0.00 0.00 178.44 178.86 2jpt h ILE 12 N 0.53 1.30 0.53 1.22 2.04 -0.98 -2.87 117.51 119.29 2jpt h ILE 12 Ca 0.05 -2.01 -0.03 0.00 1.00 0.00 0.00 64.86 63.88 2jpt h ILE 12 Cb 0.91 2.14 0.01 0.00 -0.74 0.00 0.00 36.82 39.14 2jpt h ILE 12 CO 0.08 0.62 -0.25 0.78 0.00 0.00 0.00 178.15 179.38 2jpt h ASN 13 N 0.39 -0.60 -0.82 1.72 4.21 0.25 0.43 115.58 121.16 2jpt h ASN 13 Ca -0.07 -0.06 0.15 0.00 1.21 0.00 0.00 56.30 57.53 2jpt h ASN 13 Cb 1.41 0.16 -0.10 0.00 -1.12 0.00 0.00 38.32 38.67 2jpt h ASN 13 CO 0.16 -0.27 0.40 1.62 -1.29 0.00 0.00 177.43 178.04 2jpt h VAL 14 N -0.95 0.70 -0.21 2.81 3.04 -1.44 0.04 116.25 120.24 2jpt h VAL 14 Ca -0.07 -0.19 -0.16 0.00 -1.01 0.00 0.00 66.70 65.26 2jpt h VAL 14 Cb 0.62 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.99 2jpt h VAL 14 CO 0.12 0.10 -0.50 0.15 -1.01 0.00 0.00 177.57 176.43 2jpt h PHE 15 N 0.56 0.91 -0.25 3.17 3.57 -1.45 -3.03 116.94 120.42 2jpt h PHE 15 Ca 0.45 -0.35 0.06 0.00 3.53 0.00 0.00 57.97 61.67 2jpt h PHE 15 Cb 0.66 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2jpt h PHE 15 CO -0.11 1.14 0.18 1.25 -2.23 0.00 0.00 178.31 178.53 2jpt h HIS 16 N 0.43 0.06 -0.76 0.41 2.76 0.12 -0.86 115.15 117.30 2jpt h HIS 16 Ca -0.00 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 2jpt h HIS 16 Cb 1.11 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 30.00 2jpt h HIS 16 CO 0.09 0.03 0.50 0.00 -1.30 0.00 0.00 177.93 177.25 2jpt h ALA 17 N 1.87 1.71 -3.00 5.26 0.00 -0.91 -3.36 119.26 120.83 2jpt h ALA 17 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jpt h ALA 17 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jpt h ALA 17 CO -0.01 0.15 0.00 0.72 0.00 0.00 0.00 179.25 180.11 2jpt n HIS 18 N -4.49 0.00 -4.61 0.00 -0.00 -0.33 -4.97 115.22 100.82 2jpt n HIS 18 Ca 0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.54 2jpt n HIS 18 Cb 0.26 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.11 2jpt n HIS 18 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2jpt s SER 19 N -1.61 3.23 -0.11 0.41 1.04 -1.25 -5.04 113.70 110.37 2jpt s SER 19 Ca 0.00 -0.68 -0.02 0.00 0.48 0.00 0.00 55.95 55.73 2jpt s SER 19 Cb 0.00 -0.25 -0.06 0.00 0.10 0.00 0.00 66.02 65.82 2jpt s SER 19 CO 0.00 0.21 -0.12 0.61 0.98 0.00 0.00 173.24 174.93 2jpt n GLY 20 N 1.29 -0.16 2.06 7.32 0.00 -1.26 -4.65 105.19 109.79 2jpt n GLY 20 Ca -0.18 -0.06 -0.23 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 -3.15 2.29 -0.94 1.61 4.81 -1.26 -5.00 118.16 116.52 2jpt n LYS 21 Ca -0.20 -3.12 -0.37 0.00 -0.87 0.00 0.00 58.31 53.76 2jpt n LYS 21 Cb 0.67 -2.14 -0.09 0.00 0.02 0.00 0.00 35.03 33.49 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 -1.10 0.00 -0.05 1.64 0.28 -1.26 -4.67 120.64 115.49 2jpt n GLU 22 Ca 0.56 0.00 0.25 0.00 -0.16 0.00 0.00 57.16 57.80 2jpt n GLU 22 Cb 1.38 -1.05 0.69 0.00 1.43 0.00 0.00 31.44 33.89 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 7.13 0.00 -5.40 -1.84 0.00 -2.01 -3.38 103.07 97.57 2jpt h GLY 23 Ca -0.06 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.61 2jpt h GLY 23 CO 0.85 0.00 -0.69 -0.35 0.00 0.00 0.00 176.54 176.35 2jpt s ASP 24 N -4.94 4.65 0.39 0.19 2.15 -1.26 -5.07 116.67 112.78 2jpt s ASP 24 Ca -0.04 -0.08 -0.16 0.00 0.43 0.00 0.00 52.55 52.70 2jpt s ASP 24 Cb 0.17 -1.42 -0.13 0.00 -0.30 0.00 0.00 42.92 41.24 2jpt s ASP 24 CO 0.59 0.28 -0.04 0.29 -0.17 0.00 0.00 175.17 176.11 2jpt n LYS 25 N 2.77 0.00 -1.43 4.34 5.02 -1.26 -4.52 118.16 123.07 2jpt n LYS 25 Ca -0.18 0.00 -0.54 0.00 -2.02 0.00 0.00 58.31 55.58 2jpt n LYS 25 Cb 0.53 -0.83 -0.08 0.00 -0.02 0.00 0.00 35.03 34.62 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 -1.11 1.56 -3.74 2.13 4.11 -1.26 -4.91 117.16 113.94 2jpt n TYR 26 Ca 0.08 0.42 -0.13 0.00 -0.00 0.00 0.00 57.90 58.26 2jpt n TYR 26 Cb 0.37 -2.47 -0.14 0.00 -0.00 0.00 0.00 39.34 37.10 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 5.83 0.14 -0.09 -3.48 1.02 -1.26 -4.79 119.74 117.11 2jpt s LYS 27 Ca 1.10 0.45 -0.01 0.00 0.02 0.00 0.00 55.97 57.53 2jpt s LYS 27 Cb -1.03 -0.16 0.03 0.00 -0.52 0.00 0.00 37.83 36.15 2jpt s LYS 27 CO 0.55 -0.17 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.26 2jpt s LEU 28 N 1.25 0.91 0.92 3.17 1.43 -1.16 -5.04 118.68 120.15 2jpt s LEU 28 Ca -0.09 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 2jpt s LEU 28 Cb -0.11 -0.62 0.14 0.00 0.03 0.00 0.00 46.19 45.63 2jpt s LEU 28 CO -0.07 -0.15 1.11 -0.94 0.23 0.00 0.00 176.35 176.53 2jpt s SER 29 N 1.77 3.34 0.23 2.29 1.04 -1.26 -0.75 113.70 120.36 2jpt s SER 29 Ca 0.04 1.20 -0.06 0.00 0.48 0.00 0.00 55.95 57.61 2jpt s SER 29 Cb -0.13 -1.86 0.41 0.00 0.10 0.00 0.00 66.02 64.55 2jpt s SER 29 CO -0.06 -2.68 1.70 0.07 0.98 0.00 0.00 173.24 173.25 2jpt h LYS 30 N -1.58 0.29 -0.16 4.02 2.10 -1.78 -1.21 116.57 118.25 2jpt h LYS 30 Ca -0.51 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.15 2jpt h LYS 30 Cb 1.31 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 32.55 2jpt h LYS 30 CO 0.58 0.19 -0.03 0.87 -2.00 0.00 0.00 179.45 179.07 2jpt h LYS 31 N 0.30 0.01 -0.19 0.07 1.57 -1.91 0.87 116.57 117.29 2jpt h LYS 31 Ca 0.39 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.21 2jpt h LYS 31 Cb 0.62 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.86 2jpt h LYS 31 CO -0.46 0.01 -0.41 0.93 -0.57 0.00 0.00 179.45 178.94 2jpt h GLU 32 N 0.01 -0.43 0.09 3.15 4.39 -1.57 1.38 114.58 121.59 2jpt h GLU 32 Ca 0.08 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 2jpt h GLU 32 Cb 0.11 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2jpt h GLU 32 CO -0.16 -0.29 -0.05 1.25 -1.16 0.00 0.00 179.01 178.61 2jpt h LEU 33 N -0.45 -0.12 -0.21 1.33 6.46 -1.24 0.79 115.31 121.87 2jpt h LEU 33 Ca 0.09 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.89 2jpt h LEU 33 Cb 0.61 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 2jpt h LEU 33 CO -0.43 -0.08 0.00 0.50 -0.62 0.00 0.00 178.44 177.81 2jpt h LYS 34 N -0.13 0.07 -0.13 1.25 3.64 -0.26 -2.06 116.57 118.96 2jpt h LYS 34 Ca -0.01 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2jpt h LYS 34 Cb 0.11 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2jpt h LYS 34 CO 0.01 0.04 -0.32 0.93 -2.27 0.00 0.00 179.45 177.85 2jpt h GLU 35 N 0.07 0.25 -0.14 1.90 4.39 0.20 -2.83 114.58 118.42 2jpt h GLU 35 Ca 0.10 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.74 2jpt h GLU 35 Cb 0.12 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.69 2jpt h GLU 35 CO -0.17 0.55 -0.44 1.25 -1.16 0.00 0.00 179.01 179.04 2jpt h LEU 36 N 0.22 -1.39 0.04 1.33 6.46 0.13 0.44 115.31 122.54 2jpt h LEU 36 Ca 0.03 0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.97 2jpt h LEU 36 Cb 0.68 0.56 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 2jpt h LEU 36 CO 0.05 -0.43 -0.02 -0.07 -0.62 0.00 0.00 178.44 177.35 2jpt h LEU 37 N -0.50 -0.04 -0.84 2.25 4.07 -1.57 -2.74 115.31 115.93 2jpt h LEU 37 Ca 0.07 -0.55 0.20 0.00 0.08 0.00 0.00 57.88 57.67 2jpt h LEU 37 Cb 0.64 0.01 -0.12 0.00 1.08 0.00 0.00 40.66 42.27 2jpt h LEU 37 CO -0.41 0.56 0.30 1.56 -1.08 0.00 0.00 178.44 179.37 2jpt h GLN 38 N -0.67 0.34 0.00 1.13 4.20 -1.38 1.77 115.11 120.51 2jpt h GLN 38 Ca -0.01 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 2jpt h GLN 38 Cb 0.60 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2jpt h GLN 38 CO 0.01 0.22 -0.24 1.79 -0.67 0.00 0.00 178.83 179.94 2jpt h THR 39 N 0.35 1.11 0.00 -0.54 1.35 -0.15 3.26 112.91 118.29 2jpt h THR 39 Ca 0.51 -0.85 -0.04 0.00 -0.55 0.00 0.00 66.41 65.48 2jpt h THR 39 Cb 0.93 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 2jpt h THR 39 CO -0.53 0.24 -0.21 -0.33 -0.25 0.00 0.00 175.52 174.44 2jpt h GLU 40 N 0.00 0.00 -0.41 4.72 3.07 0.22 -3.37 114.58 118.81 2jpt h GLU 40 Ca -0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 2jpt h GLU 40 Cb 0.45 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.25 2jpt h GLU 40 CO 0.03 0.95 0.01 1.47 -1.40 0.00 0.00 179.01 180.07 2jpt n LEU 41 N -4.59 4.38 -0.22 1.33 -0.00 0.49 -4.76 117.00 113.62 2jpt n LEU 41 Ca -0.13 -3.64 -0.02 0.00 -0.00 0.00 0.00 56.01 52.22 2jpt n LEU 41 Cb 0.49 -0.64 0.04 0.00 -0.00 0.00 0.00 43.42 43.31 2jpt n LEU 41 CO 0.30 1.14 0.67 -1.28 -0.00 0.00 0.00 177.39 178.22 2jpt h SER 42 N 1.15 -0.93 0.72 1.45 0.87 0.59 1.07 113.55 118.46 2jpt h SER 42 Ca 0.23 0.22 -0.20 0.00 -1.23 0.00 0.00 61.79 60.82 2jpt h SER 42 Cb 1.76 0.51 -0.02 0.00 -0.44 0.00 0.00 62.40 64.21 2jpt h SER 42 CO 0.44 -0.27 -0.90 1.23 -0.53 0.00 0.00 176.83 176.80 2jpt h GLY 43 N -0.09 0.12 0.30 5.77 0.00 -1.86 -3.28 103.07 104.05 2jpt h GLY 43 Ca 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2jpt h GLY 43 CO -0.71 0.21 -0.14 -2.75 0.00 0.00 0.00 176.54 173.15 2jpt h PHE 44 N 0.06 -0.37 0.00 5.60 3.04 -1.40 -3.18 116.94 120.68 2jpt h PHE 44 Ca -0.03 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.91 2jpt h PHE 44 Cb 1.55 0.12 0.00 0.00 2.56 0.00 0.00 35.95 40.18 2jpt h PHE 44 CO 0.02 -0.21 0.37 1.37 -2.02 0.00 0.00 178.31 177.84 2jpt h LEU 45 N -1.10 0.00 -2.05 0.59 -0.00 0.95 0.29 115.31 113.99 2jpt h LEU 45 Ca -0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.91 2jpt h LEU 45 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 2jpt h LEU 45 CO 0.07 0.00 0.17 -0.78 -0.00 0.00 0.00 178.44 177.90 2jpt h ASP 46 N 0.00 0.00 1.46 0.17 1.82 -1.60 0.24 116.42 118.50 2jpt h ASP 46 Ca 0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 2jpt h ASP 46 Cb 0.73 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.72 2jpt h ASP 46 CO 0.00 0.00 -0.54 0.00 -1.61 0.00 0.00 179.24 177.09 2jpt h ALA 47 N 1.87 0.65 0.00 -0.78 0.00 -0.61 -3.18 119.26 117.20 2jpt h ALA 47 Ca 0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2jpt h ALA 47 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jpt h ALA 47 CO -0.00 0.67 -0.24 1.96 0.00 0.00 0.00 179.25 181.64 2jpt h GLN 48 N 0.00 0.00 -1.56 0.00 4.20 -0.70 -3.26 115.11 113.79 2jpt h GLN 48 Ca -0.01 0.00 0.45 0.00 0.06 0.00 0.00 58.65 59.16 2jpt h GLN 48 Cb 1.41 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.13 2jpt h GLN 48 CO 0.07 0.24 1.15 0.87 -0.67 0.00 0.00 178.83 180.49 2jpt h LYS 49 N 0.00 0.00 -0.12 1.46 1.79 -1.28 1.80 116.57 120.22 2jpt h LYS 49 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2jpt h LYS 49 Cb 1.10 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 2jpt h LYS 49 CO 0.03 0.00 -0.07 0.22 -1.08 0.00 0.00 179.45 178.55 2jpt h ASP 50 N 0.00 0.15 -3.35 0.86 3.58 -1.79 -3.41 116.42 112.46 2jpt h ASP 50 Ca 0.74 -0.02 -0.57 0.00 0.42 0.00 0.00 57.03 57.60 2jpt h ASP 50 Cb 3.03 -0.04 -0.08 0.00 1.72 0.00 0.00 39.33 43.97 2jpt h ASP 50 CO -0.01 0.25 -0.07 0.00 -2.88 0.00 0.00 179.24 176.54 2jpt s ALA 51 N -4.86 3.45 0.01 -0.78 0.00 0.61 -4.94 121.76 115.25 2jpt s ALA 51 Ca -0.05 -0.14 0.32 0.00 0.00 0.00 0.00 51.96 52.09 2jpt s ALA 51 Cb 0.16 -2.74 1.27 0.00 0.00 0.00 0.00 23.12 21.80 2jpt s ALA 51 CO 0.71 -0.08 1.94 -0.44 0.00 0.00 0.00 175.76 177.89 2jpt h ASP 52 N 6.82 0.00 -0.59 0.00 3.32 -1.81 -3.01 116.42 121.15 2jpt h ASP 52 Ca -0.40 0.00 0.17 0.00 0.02 0.00 0.00 57.03 56.82 2jpt h ASP 52 Cb 1.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 2jpt h ASP 52 CO 0.76 0.00 0.54 0.00 -1.72 0.00 0.00 179.24 178.81 2jpt h ALA 53 N 2.03 2.39 -0.57 3.45 0.00 -1.92 -0.08 119.26 124.56 2jpt h ALA 53 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2jpt h ALA 53 Cb 0.53 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 2jpt h ALA 53 CO 0.00 -0.84 0.19 -0.39 0.00 0.00 0.00 179.25 178.21 2jpt h VAL 54 N 0.00 0.76 0.00 0.00 -1.51 -1.83 0.13 116.25 113.80 2jpt h VAL 54 Ca 0.28 -0.12 -0.08 0.00 -1.23 0.00 0.00 66.70 65.54 2jpt h VAL 54 Cb 1.35 0.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 2jpt h VAL 54 CO -0.00 0.06 -0.40 -0.78 -1.23 0.00 0.00 177.57 175.22 2jpt h ASP 55 N 0.35 0.00 -0.67 4.19 3.58 -1.26 -3.09 116.42 119.52 2jpt h ASP 55 Ca 0.29 0.00 0.14 0.00 0.42 0.00 0.00 57.03 57.88 2jpt h ASP 55 Cb 0.36 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.30 2jpt h ASP 55 CO -0.31 0.40 0.11 0.50 -2.88 0.00 0.00 179.24 177.06 2jpt h LYS 56 N 0.00 0.21 -0.02 0.28 3.64 -0.90 0.09 116.57 119.87 2jpt h LYS 56 Ca -0.00 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 2jpt h LYS 56 Cb 0.74 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2jpt h LYS 56 CO 0.05 0.14 -0.80 -0.39 -2.27 0.00 0.00 179.45 176.19 2jpt h VAL 57 N 0.22 1.46 -0.32 2.00 -1.51 -1.48 -3.07 116.25 113.54 2jpt h VAL 57 Ca 0.37 -2.43 0.09 0.00 -1.23 0.00 0.00 66.70 63.50 2jpt h VAL 57 Cb 0.60 2.33 -0.01 0.00 -2.13 0.00 0.00 31.29 32.08 2jpt h VAL 57 CO -0.50 0.71 0.27 0.24 -1.23 0.00 0.00 177.57 177.07 2jpt h MET 58 N 0.13 0.00 -0.74 5.19 2.86 -0.94 -0.29 114.93 121.14 2jpt h MET 58 Ca -0.03 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.81 2jpt h MET 58 Cb 1.39 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.01 2jpt h MET 58 CO 0.12 0.00 0.52 -0.22 1.06 0.00 0.00 176.91 178.40 2jpt h LYS 59 N 0.00 0.09 0.41 1.72 3.64 -1.30 1.45 116.57 122.58 2jpt h LYS 59 Ca 0.15 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2jpt h LYS 59 Cb 0.70 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2jpt h LYS 59 CO -0.00 0.06 -0.20 0.93 -2.27 0.00 0.00 179.45 177.97 2jpt h GLU 60 N 0.10 -0.53 -0.51 1.90 5.08 -1.26 -2.69 114.58 116.68 2jpt h GLU 60 Ca 0.36 0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.64 2jpt h GLU 60 Cb 1.28 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 2jpt h GLU 60 CO -0.04 -0.35 -0.13 1.37 -1.00 0.00 0.00 179.01 178.86 2jpt h LEU 61 N -0.86 0.96 -0.94 1.33 8.10 -1.57 -2.93 115.31 119.40 2jpt h LEU 61 Ca -0.06 -0.32 0.16 0.00 0.11 0.00 0.00 57.88 57.78 2jpt h LEU 61 Cb 0.42 -0.26 -0.10 0.00 -0.44 0.00 0.00 40.66 40.28 2jpt h LEU 61 CO 0.09 1.09 0.54 -0.78 -4.11 0.00 0.00 178.44 175.27 2jpt h ASP 62 N 0.85 0.69 0.07 0.17 3.58 0.19 0.46 116.42 122.43 2jpt h ASP 62 Ca 0.13 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 2jpt h ASP 62 Cb 0.68 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.70 2jpt h ASP 62 CO 0.05 0.27 -0.04 -0.08 -2.88 0.00 0.00 179.24 176.56 2jpt h GLU 63 N 0.73 0.00 -0.94 0.28 4.81 -1.28 -0.60 114.58 117.58 2jpt h GLU 63 Ca 0.52 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.69 2jpt h GLU 63 Cb 0.75 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 2jpt h GLU 63 CO -0.36 0.04 0.08 -0.25 -0.73 0.00 0.00 179.01 177.78 2jpt n ASP 64 N -4.04 2.70 -0.15 1.04 8.00 0.16 -4.61 116.55 119.66 2jpt n ASP 64 Ca -0.03 -2.34 0.02 0.00 0.71 0.00 0.00 54.79 53.16 2jpt n ASP 64 Cb 0.12 -0.57 0.05 0.00 -0.02 0.00 0.00 41.12 40.71 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 0.12 -0.70 0.00 0.44 0.00 -0.24 0.13 105.19 104.94 2jpt n GLY 65 Ca 0.11 0.44 0.05 0.00 0.00 0.00 0.00 46.02 46.62 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 -4.66 0.85 -3.30 1.61 8.00 -1.26 -4.90 116.55 112.88 2jpt n ASP 66 Ca 0.06 -0.61 -0.13 0.00 0.71 0.00 0.00 54.79 54.83 2jpt n ASP 66 Cb 0.20 1.08 0.07 0.00 -0.02 0.00 0.00 41.12 42.45 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 1.35 0.40 1.70 0.44 0.00 0.35 -5.00 105.19 104.43 2jpt n GLY 67 Ca 0.01 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.06 0.46 -4.02 1.61 0.28 -1.26 -3.27 120.64 112.38 2jpt n GLU 68 Ca 0.09 -1.75 -0.14 0.00 -0.16 0.00 0.00 57.16 55.19 2jpt n GLU 68 Cb 0.31 1.21 -0.14 0.00 1.43 0.00 0.00 31.44 34.25 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 -2.53 0.22 0.00 3.84 0.11 0.07 -4.88 120.40 117.23 2jpt s VAL 69 Ca 0.16 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2jpt s VAL 69 Cb 0.01 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 2jpt s VAL 69 CO 0.11 0.07 0.05 -0.67 -3.33 0.00 0.00 175.10 171.33 2jpt n ASP 70 N 3.11 0.00 0.00 3.54 -0.08 -1.26 -2.99 116.55 118.87 2jpt n ASP 70 Ca -0.14 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 2jpt n ASP 70 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 2jpt n ASP 70 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2jpt n PHE 71 N -0.10 -0.18 -0.22 -0.67 7.35 -1.26 -3.60 117.46 118.78 2jpt n PHE 71 Ca 0.00 0.00 0.24 0.00 -0.76 0.00 0.00 57.45 56.93 2jpt n PHE 71 Cb 0.00 0.04 0.62 0.00 0.35 0.00 0.00 39.48 40.48 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 0.19 -0.32 -4.13 7.50 -1.99 0.42 115.11 116.78 2jpt h GLN 72 Ca 0.00 -0.01 0.09 0.00 0.50 0.00 0.00 58.65 59.23 2jpt h GLN 72 Cb 0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 2jpt h GLN 72 CO 0.00 0.13 0.65 0.93 -1.50 0.00 0.00 178.83 179.04 2jpt h GLU 73 N 0.20 0.00 0.00 1.46 5.08 -1.95 0.30 114.58 119.67 2jpt h GLU 73 Ca 0.46 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.76 2jpt h GLU 73 Cb 1.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 2jpt h GLU 73 CO -0.10 0.00 -0.29 0.10 -1.00 0.00 0.00 179.01 177.72 2jpt h TYR 74 N 0.00 0.00 0.07 4.33 -0.00 -1.32 -3.26 116.97 116.79 2jpt h TYR 74 Ca 0.15 0.00 0.02 0.00 -0.00 0.00 0.00 58.73 58.90 2jpt h TYR 74 Cb 1.45 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 38.13 2jpt h TYR 74 CO 0.00 0.29 -0.54 -0.39 -0.00 0.00 0.00 178.16 177.52 2jpt h VAL 75 N 0.00 0.00 -0.97 -0.90 -1.51 -0.60 -1.17 116.25 111.10 2jpt h VAL 75 Ca -0.00 0.00 0.17 0.00 -1.23 0.00 0.00 66.70 65.63 2jpt h VAL 75 Cb 0.64 0.00 -0.09 0.00 -2.13 0.00 0.00 31.29 29.71 2jpt h VAL 75 CO 0.04 0.00 0.61 1.62 -1.23 0.00 0.00 177.57 178.61 2jpt h VAL 76 N -0.72 0.78 -0.90 7.19 3.04 -1.76 0.29 116.25 124.17 2jpt h VAL 76 Ca 0.00 -0.26 0.22 0.00 -1.01 0.00 0.00 66.70 65.65 2jpt h VAL 76 Cb 0.75 -0.05 -0.06 0.00 -2.01 0.00 0.00 31.29 29.92 2jpt h VAL 76 CO -0.32 0.14 0.61 0.25 -1.01 0.00 0.00 177.57 177.24 2jpt h LEU 77 N 0.76 0.28 -0.47 3.16 5.85 -1.31 0.43 115.31 124.00 2jpt h LEU 77 Ca 0.52 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 59.12 2jpt h LEU 77 Cb 0.81 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2jpt h LEU 77 CO -0.29 0.10 -0.44 0.58 -0.34 0.00 0.00 178.44 178.04 2jpt h VAL 78 N 0.27 1.29 -0.44 1.05 2.07 -0.13 -3.15 116.25 117.20 2jpt h VAL 78 Ca 0.46 -1.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 2jpt h VAL 78 Cb 1.35 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 2jpt h VAL 78 CO -0.13 0.53 0.09 0.00 0.02 0.00 0.00 177.57 178.08 2jpt h ALA 79 N 0.88 0.58 -0.96 1.67 0.00 -0.08 -2.43 119.26 118.92 2jpt h ALA 79 Ca 0.04 -0.21 0.23 0.00 0.00 0.00 0.00 54.91 54.97 2jpt h ALA 79 Cb 1.01 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2jpt h ALA 79 CO 0.10 0.29 0.64 0.00 0.00 0.00 0.00 179.25 180.27 2jpt h ALA 80 N 0.96 2.31 0.01 0.00 0.00 -1.15 0.48 119.26 121.87 2jpt h ALA 80 Ca 0.14 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 2jpt h ALA 80 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jpt h ALA 80 CO 0.01 -0.63 -0.92 1.25 0.00 0.00 0.00 179.25 178.95 2jpt h LEU 81 N 0.35 0.32 0.43 0.00 6.46 -1.47 -3.12 115.31 118.30 2jpt h LEU 81 Ca 0.51 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 2jpt h LEU 81 Cb 1.37 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 2jpt h LEU 81 CO -0.19 1.08 -0.21 0.71 -0.62 0.00 0.00 178.44 179.21 2jpt h THR 82 N 0.13 0.44 -1.01 1.05 1.35 0.31 -2.16 112.91 113.02 2jpt h THR 82 Ca -0.06 -0.52 0.24 0.00 -0.55 0.00 0.00 66.41 65.52 2jpt h THR 82 Cb 1.56 0.63 -0.11 0.00 -1.73 0.00 0.00 68.15 68.51 2jpt h THR 82 CO 0.15 0.07 0.62 1.62 -0.25 0.00 0.00 175.52 177.73 2jpt h VAL 83 N -0.94 0.56 -0.27 6.82 3.04 -1.10 1.23 116.25 125.59 2jpt h VAL 83 Ca -0.06 -0.19 -0.03 0.00 -1.01 0.00 0.00 66.70 65.41 2jpt h VAL 83 Cb 0.57 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.79 2jpt h VAL 83 CO 0.10 0.10 0.07 0.00 -1.01 0.00 0.00 177.57 176.82 2jpt h ALA 84 N 1.69 0.36 -0.13 3.17 0.00 -1.47 -0.53 119.26 122.35 2jpt h ALA 84 Ca 0.62 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 2jpt h ALA 84 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2jpt h ALA 84 CO -0.41 0.02 -0.37 0.00 0.00 0.00 0.00 179.25 178.49 2jpt h ASN 86 N 0.08 0.72 -0.53 0.00 -1.24 0.14 -0.32 115.58 114.43 2jpt h ASN 86 Ca -0.01 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.03 2jpt h ASN 86 Cb 0.99 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.86 2jpt h ASN 86 CO 0.08 0.46 0.35 0.78 -1.29 0.00 0.00 177.43 177.81 2jpt h ASN 87 N 0.82 0.55 -0.26 1.15 2.35 -1.05 -1.16 115.58 117.98 2jpt h ASN 87 Ca 0.34 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 56.11 2jpt h ASN 87 Cb 0.27 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 2jpt h ASN 87 CO -0.12 0.39 0.09 0.15 -1.65 0.00 0.00 177.43 176.29 2jpt h PHE 88 N 0.65 0.17 0.01 1.19 3.04 -1.05 -2.98 116.94 117.96 2jpt h PHE 88 Ca 0.21 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.17 2jpt h PHE 88 Cb 0.03 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.50 2jpt h PHE 88 CO -0.00 0.08 -0.00 0.74 -2.02 0.00 0.00 178.31 177.11 2jpt h PHE 89 N 0.22 -0.01 -3.67 0.41 0.04 -1.40 -3.41 116.94 109.12 2jpt h PHE 89 Ca 0.12 -0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.24 2jpt h PHE 89 Cb 0.08 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.08 2jpt h PHE 89 CO -0.13 0.38 -0.20 -1.58 -0.60 0.00 0.00 178.31 176.19 2jpt s TRP 90 N -4.64 3.22 -0.30 -0.55 0.52 -0.50 -4.99 118.94 111.71 2jpt s TRP 90 Ca -0.15 0.24 -0.09 0.00 0.02 0.00 0.00 56.10 56.12 2jpt s TRP 90 Cb 0.02 -2.69 0.19 0.00 -1.15 0.00 0.00 33.47 29.84 2jpt s TRP 90 CO 0.67 -0.36 0.97 -2.00 0.02 0.00 0.00 176.95 176.24 2jpt s GLU 91 N 2.14 0.23 -0.77 4.98 2.12 -1.25 -4.47 118.70 121.67 2jpt s GLU 91 Ca 0.15 0.26 -0.18 0.00 0.36 0.00 0.00 54.97 55.56 2jpt s GLU 91 Cb -0.16 0.13 0.13 0.00 0.26 0.00 0.00 34.13 34.49 2jpt s GLU 91 CO 0.11 -0.38 0.89 1.21 -0.54 0.00 0.00 175.26 176.55 2jpt s ASN 92 N 2.93 6.46 0.00 -1.70 2.47 -1.26 -5.15 114.94 118.70 2jpt s ASN 92 Ca 0.19 -1.87 0.00 0.00 0.42 0.00 0.00 52.86 51.60 2jpt s ASN 92 Cb -0.05 -2.33 0.00 0.00 -1.45 0.00 0.00 41.25 37.42 2jpt s ASN 92 CO -0.21 -1.02 0.00 -0.24 -3.72 0.00 0.00 177.10 171.91