#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 -4.18 0.19 1.61 2.88 -1.26 -4.81 113.62 108.05 2jpt n SER 2 Ca 0.00 0.19 0.06 0.00 -1.33 0.00 0.00 58.87 57.79 2jpt n SER 2 Cb 0.00 -3.59 0.34 0.00 -0.75 0.00 0.00 64.21 60.21 2jpt n SER 2 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2jpt h GLU 3 N 0.00 0.00 -0.02 -1.46 4.39 -2.06 -3.20 114.58 112.23 2jpt h GLU 3 Ca -0.32 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.33 2jpt h GLU 3 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2jpt h GLU 3 CO 0.40 0.36 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.38 2jpt h LEU 4 N 0.00 0.18 -1.82 1.33 -0.00 -2.00 -3.12 115.31 109.88 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 0.90 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.46 2jpt h LEU 4 CO 0.05 0.86 0.63 -0.33 -0.00 0.00 0.00 178.44 179.64 2jpt h GLU 5 N -0.49 0.13 -0.25 1.13 5.08 -1.95 0.46 114.58 118.69 2jpt h GLU 5 Ca -0.02 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 2jpt h GLU 5 Cb 0.87 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2jpt h GLU 5 CO 0.03 0.09 -0.14 1.15 -1.00 0.00 0.00 179.01 179.14 2jpt h THR 6 N 0.14 1.31 -0.09 1.13 2.02 -1.55 -3.10 112.91 112.76 2jpt h THR 6 Ca 0.45 -1.25 -0.15 0.00 0.77 0.00 0.00 66.41 66.22 2jpt h THR 6 Cb 1.53 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.52 2jpt h THR 6 CO -0.07 0.39 -0.61 0.00 0.37 0.00 0.00 175.52 175.59 2jpt h ALA 7 N 0.71 0.78 -0.81 6.16 0.00 -0.60 -3.00 119.26 122.50 2jpt h ALA 7 Ca 0.05 -0.55 0.14 0.00 0.00 0.00 0.00 54.91 54.56 2jpt h ALA 7 Cb 0.66 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 2jpt h ALA 7 CO 0.04 0.73 0.38 0.52 0.00 0.00 0.00 179.25 180.92 2jpt h MET 8 N 0.24 0.53 -0.16 0.00 2.07 -0.19 -0.18 114.93 117.24 2jpt h MET 8 Ca -0.01 -0.03 -0.18 0.00 -2.07 0.00 0.00 59.70 57.41 2jpt h MET 8 Cb 1.14 -0.12 -0.00 0.00 -1.87 0.00 0.00 31.60 30.74 2jpt h MET 8 CO 0.10 0.35 -0.64 0.93 1.07 0.00 0.00 176.91 178.72 2jpt h GLU 9 N 0.55 0.61 -0.34 1.72 5.08 -1.49 -2.83 114.58 117.88 2jpt h GLU 9 Ca 0.44 -0.43 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2jpt h GLU 9 Cb 0.64 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 2jpt h GLU 9 CO -0.38 1.05 -0.02 1.15 -1.00 0.00 0.00 179.01 179.81 2jpt h THR 10 N 0.44 0.72 -0.50 1.13 2.02 -0.93 1.50 112.91 117.30 2jpt h THR 10 Ca -0.01 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 2jpt h THR 10 Cb 1.22 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2jpt h THR 10 CO 0.12 0.01 -0.00 -0.07 0.37 0.00 0.00 175.52 175.95 2jpt h LEU 11 N 0.07 0.82 -0.21 2.58 3.38 -1.34 -1.62 115.31 118.98 2jpt h LEU 11 Ca 0.16 -0.21 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 2jpt h LEU 11 Cb 0.23 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.77 2jpt h LEU 11 CO -0.30 0.88 -0.84 0.40 0.09 0.00 0.00 178.44 178.68 2jpt h ILE 12 N 0.79 1.33 0.54 1.22 2.04 -1.04 -3.00 117.51 119.39 2jpt h ILE 12 Ca 0.15 -2.15 -0.03 0.00 1.00 0.00 0.00 64.86 63.83 2jpt h ILE 12 Cb 0.48 2.16 0.01 0.00 -0.74 0.00 0.00 36.82 38.72 2jpt h ILE 12 CO 0.02 0.66 -0.26 0.78 0.00 0.00 0.00 178.15 179.35 2jpt h ASN 13 N 0.38 -0.61 -1.00 1.72 -0.26 0.23 -0.10 115.58 115.94 2jpt h ASN 13 Ca -0.06 -0.05 0.18 0.00 -0.56 0.00 0.00 56.30 55.80 2jpt h ASN 13 Cb 1.45 0.16 -0.10 0.00 -1.06 0.00 0.00 38.32 38.77 2jpt h ASN 13 CO 0.16 -0.28 0.61 1.62 -1.06 0.00 0.00 177.43 178.47 2jpt h VAL 14 N -0.96 0.74 -0.16 2.81 3.04 -1.41 -0.34 116.25 119.96 2jpt h VAL 14 Ca -0.07 -0.27 -0.04 0.00 -1.01 0.00 0.00 66.70 65.30 2jpt h VAL 14 Cb 0.63 -0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 29.78 2jpt h VAL 14 CO 0.12 0.15 -0.07 0.15 -1.01 0.00 0.00 177.57 176.91 2jpt h PHE 15 N 0.80 0.39 -0.43 3.17 3.57 -1.44 -2.93 116.94 120.06 2jpt h PHE 15 Ca 0.56 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 62.04 2jpt h PHE 15 Cb 0.81 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 2jpt h PHE 15 CO -0.01 0.64 0.29 1.25 -2.23 0.00 0.00 178.31 178.26 2jpt h HIS 16 N 0.02 0.28 -0.87 0.41 2.76 0.28 -1.12 115.15 116.92 2jpt h HIS 16 Ca 0.04 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.26 2jpt h HIS 16 Cb 0.54 -0.09 -0.06 0.00 1.55 0.00 0.00 27.41 29.35 2jpt h HIS 16 CO 0.06 0.15 0.55 0.00 -1.30 0.00 0.00 177.93 177.39 2jpt h ALA 17 N 1.77 1.16 -3.00 5.26 0.00 -0.92 -3.38 119.26 120.15 2jpt h ALA 17 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jpt h ALA 17 Cb 0.41 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jpt h ALA 17 CO -0.04 0.36 0.00 0.72 0.00 0.00 0.00 179.25 180.29 2jpt n HIS 18 N -4.57 0.00 -4.92 0.00 -0.00 -0.43 -4.96 115.22 100.35 2jpt n HIS 18 Ca 0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.51 2jpt n HIS 18 Cb 0.12 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.94 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 -1.28 3.09 -0.17 0.41 0.01 -1.19 -5.00 113.70 109.57 2jpt s SER 19 Ca 0.00 -0.58 -0.04 0.00 1.31 0.00 0.00 55.95 56.64 2jpt s SER 19 Cb 0.00 -1.42 -0.09 0.00 0.21 0.00 0.00 66.02 64.72 2jpt s SER 19 CO 0.00 0.12 -0.18 0.61 0.41 0.00 0.00 173.24 174.19 2jpt n GLY 20 N 3.82 -0.25 2.22 3.44 0.00 -1.26 -4.58 105.19 108.57 2jpt n GLY 20 Ca -0.20 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.39 2.31 -0.95 1.61 4.81 -1.26 -4.99 118.16 116.30 2jpt n LYS 21 Ca -0.31 -2.98 -0.38 0.00 -0.87 0.00 0.00 58.31 53.77 2jpt n LYS 21 Cb 0.77 -2.17 -0.09 0.00 0.02 0.00 0.00 35.03 33.56 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 -0.13 1.64 0.28 -1.26 -4.68 120.64 115.45 2jpt n GLU 22 Ca 0.59 0.00 0.28 0.00 -0.16 0.00 0.00 57.16 57.86 2jpt n GLU 22 Cb 1.41 -1.07 0.71 0.00 1.43 0.00 0.00 31.44 33.92 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 7.16 0.00 -5.62 -1.84 0.00 -2.00 -3.38 103.07 97.39 2jpt h GLY 23 Ca -0.06 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.62 2jpt h GLY 23 CO 0.85 0.00 -0.60 0.99 0.00 0.00 0.00 176.54 177.79 2jpt s ASP 24 N -5.11 5.42 0.73 0.19 1.01 -1.26 -5.07 116.67 112.57 2jpt s ASP 24 Ca -0.04 0.13 -0.14 0.00 0.71 0.00 0.00 52.55 53.21 2jpt s ASP 24 Cb 0.19 -1.72 -0.12 0.00 1.01 0.00 0.00 42.92 42.28 2jpt s ASP 24 CO 0.67 0.30 -0.55 0.29 0.21 0.00 0.00 175.17 176.08 2jpt n LYS 25 N 2.68 0.00 -1.60 8.23 5.02 -1.26 -4.63 118.16 126.60 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 -0.80 -0.06 0.00 -0.02 0.00 0.00 35.03 34.68 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 -1.87 1.59 -3.51 2.13 4.11 -1.26 -4.95 117.16 113.39 2jpt n TYR 26 Ca -0.00 0.61 -0.00 0.00 -0.00 0.00 0.00 57.90 58.50 2jpt n TYR 26 Cb 0.44 -2.35 -0.05 0.00 -0.00 0.00 0.00 39.34 37.37 2jpt n TYR 26 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 2jpt s LYS 27 N 0.59 0.31 -0.08 -3.48 2.20 -1.26 -5.01 119.74 113.02 2jpt s LYS 27 Ca 0.84 0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 57.10 2jpt s LYS 27 Cb -0.94 0.26 0.03 0.00 -1.51 0.00 0.00 37.83 35.67 2jpt s LYS 27 CO 0.46 -0.09 0.00 -0.51 -0.36 0.00 0.00 175.35 174.86 2jpt s LEU 28 N 1.91 0.63 0.92 5.43 1.43 -1.15 -5.05 118.68 122.80 2jpt s LEU 28 Ca -0.06 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 2jpt s LEU 28 Cb -0.05 -0.46 0.14 0.00 0.03 0.00 0.00 46.19 45.86 2jpt s LEU 28 CO -0.16 -0.20 1.11 -0.94 0.23 0.00 0.00 176.35 176.39 2jpt s SER 29 N 1.96 3.34 0.24 2.29 1.04 -1.26 -0.18 113.70 121.14 2jpt s SER 29 Ca 0.05 1.19 -0.05 0.00 0.48 0.00 0.00 55.95 57.62 2jpt s SER 29 Cb -0.12 -1.85 0.44 0.00 0.10 0.00 0.00 66.02 64.59 2jpt s SER 29 CO -0.05 -2.68 1.71 0.07 0.98 0.00 0.00 173.24 173.26 2jpt h LYS 30 N -1.58 0.34 -0.25 4.02 2.10 -1.80 -1.17 116.57 118.23 2jpt h LYS 30 Ca -0.51 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.11 2jpt h LYS 30 Cb 1.31 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 2jpt h LYS 30 CO 0.59 0.23 0.14 0.87 -2.00 0.00 0.00 179.45 179.28 2jpt h LYS 31 N 0.35 0.35 -0.35 0.07 1.57 -1.91 -0.22 116.57 116.43 2jpt h LYS 31 Ca 0.40 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.21 2jpt h LYS 31 Cb 0.64 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.79 2jpt h LYS 31 CO -0.44 0.30 -0.39 0.93 -0.57 0.00 0.00 179.45 179.27 2jpt h GLU 32 N 0.30 -0.32 0.34 3.15 3.07 -1.56 1.18 114.58 120.74 2jpt h GLU 32 Ca 0.09 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.95 2jpt h GLU 32 Cb 0.04 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2jpt h GLU 32 CO -0.02 -0.21 -0.16 1.25 -1.40 0.00 0.00 179.01 178.47 2jpt h LEU 33 N -0.33 -0.38 -0.50 1.33 6.46 -1.35 0.11 115.31 120.64 2jpt h LEU 33 Ca 0.14 -0.08 0.10 0.00 -0.12 0.00 0.00 57.88 57.92 2jpt h LEU 33 Cb 0.58 0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 40.52 2jpt h LEU 33 CO -0.53 -0.15 -0.06 0.50 -0.62 0.00 0.00 178.44 177.58 2jpt h LYS 34 N -0.61 0.05 -0.17 1.25 3.64 -0.52 0.19 116.57 120.40 2jpt h LYS 34 Ca -0.05 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 2jpt h LYS 34 Cb 0.44 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2jpt h LYS 34 CO 0.08 0.03 -0.20 0.93 -2.27 0.00 0.00 179.45 178.02 2jpt h GLU 35 N 0.05 0.29 -0.13 1.90 4.39 0.15 -2.82 114.58 118.41 2jpt h GLU 35 Ca 0.25 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.90 2jpt h GLU 35 Cb 0.38 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.93 2jpt h GLU 35 CO -0.47 0.49 -0.44 1.25 -1.16 0.00 0.00 179.01 178.68 2jpt h LEU 36 N 0.27 -1.38 0.15 1.33 6.46 0.14 0.43 115.31 122.71 2jpt h LEU 36 Ca 0.05 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 2jpt h LEU 36 Cb 0.51 0.56 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 2jpt h LEU 36 CO 0.03 -0.44 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.28 2jpt h LEU 37 N -0.51 -0.17 -0.84 2.25 4.07 -1.55 -2.68 115.31 115.89 2jpt h LEU 37 Ca 0.07 -0.38 0.20 0.00 0.08 0.00 0.00 57.88 57.85 2jpt h LEU 37 Cb 0.64 0.04 -0.12 0.00 1.08 0.00 0.00 40.66 42.30 2jpt h LEU 37 CO -0.41 0.38 0.29 1.56 -1.08 0.00 0.00 178.44 179.19 2jpt h GLN 38 N -0.81 0.32 0.00 1.13 4.20 -1.43 1.69 115.11 120.21 2jpt h GLN 38 Ca -0.02 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 2jpt h GLN 38 Cb 0.54 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2jpt h GLN 38 CO 0.03 0.21 -0.23 1.79 -0.67 0.00 0.00 178.83 179.96 2jpt h THR 39 N 0.33 1.10 0.00 -0.54 1.35 -0.17 3.18 112.91 118.15 2jpt h THR 39 Ca 0.50 -0.82 -0.03 0.00 -0.55 0.00 0.00 66.41 65.51 2jpt h THR 39 Cb 0.92 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2jpt h THR 39 CO -0.54 0.23 -0.18 -0.33 -0.25 0.00 0.00 175.52 174.46 2jpt h GLU 40 N 0.00 0.00 -0.47 4.72 3.07 0.21 -3.37 114.58 118.74 2jpt h GLU 40 Ca -0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.64 2jpt h GLU 40 Cb 0.43 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.22 2jpt h GLU 40 CO 0.03 0.86 0.08 1.47 -1.40 0.00 0.00 179.01 180.04 2jpt n LEU 41 N -4.61 4.65 -0.25 1.33 -0.00 0.47 -4.73 117.00 113.85 2jpt n LEU 41 Ca -0.12 -3.61 0.03 0.00 -0.00 0.00 0.00 56.01 52.32 2jpt n LEU 41 Cb 0.44 -0.66 0.12 0.00 -0.00 0.00 0.00 43.42 43.32 2jpt n LEU 41 CO 0.27 1.11 0.78 0.28 -0.00 0.00 0.00 177.39 179.83 2jpt h SER 42 N 1.22 -0.50 0.43 1.45 0.02 0.57 1.54 113.55 118.28 2jpt h SER 42 Ca 0.26 0.21 -0.24 0.00 -0.84 0.00 0.00 61.79 61.18 2jpt h SER 42 Cb 1.87 0.39 0.00 0.00 0.14 0.00 0.00 62.40 64.81 2jpt h SER 42 CO 0.51 -0.21 -1.04 1.23 -1.14 0.00 0.00 176.83 176.18 2jpt h GLY 43 N 0.05 0.41 0.31 -3.77 0.00 -1.85 -3.31 103.07 94.92 2jpt h GLY 43 Ca 0.38 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2jpt h GLY 43 CO -0.70 0.72 -0.09 -2.75 0.00 0.00 0.00 176.54 173.71 2jpt h PHE 44 N 0.18 -0.24 0.00 5.60 3.04 -1.35 -3.16 116.94 121.01 2jpt h PHE 44 Ca -0.10 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.84 2jpt h PHE 44 Cb 1.70 0.08 0.00 0.00 2.56 0.00 0.00 35.95 40.29 2jpt h PHE 44 CO 0.06 0.11 0.35 1.47 -2.02 0.00 0.00 178.31 178.28 2jpt n LEU 45 N -4.94 0.26 0.23 0.59 -0.00 0.51 0.12 117.00 113.76 2jpt n LEU 45 Ca -0.07 0.48 0.15 0.00 -0.00 0.00 0.00 56.01 56.57 2jpt n LEU 45 Cb 0.23 -0.41 0.81 0.00 -0.00 0.00 0.00 43.42 44.05 2jpt n LEU 45 CO 0.20 -0.57 1.13 -0.78 -0.00 0.00 0.00 177.39 177.37 2jpt h ASP 46 N 0.00 0.00 0.52 1.45 3.58 -1.63 -0.36 116.42 119.99 2jpt h ASP 46 Ca 0.00 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.16 2jpt h ASP 46 Cb 0.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2jpt h ASP 46 CO 0.00 0.00 -1.38 0.00 -2.88 0.00 0.00 179.24 174.98 2jpt h ALA 47 N 1.90 0.14 0.00 -0.78 0.00 -0.54 -3.27 119.26 116.71 2jpt h ALA 47 Ca 0.05 -0.97 -0.04 0.00 0.00 0.00 0.00 54.91 53.95 2jpt h ALA 47 Cb 0.26 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2jpt h ALA 47 CO -0.00 1.01 -0.20 1.96 0.00 0.00 0.00 179.25 182.03 2jpt h GLN 48 N 0.08 0.00 -1.58 0.00 4.20 -1.22 -2.85 115.11 113.73 2jpt h GLN 48 Ca -0.19 0.00 0.46 0.00 0.06 0.00 0.00 58.65 58.98 2jpt h GLN 48 Cb 2.01 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.72 2jpt h GLN 48 CO 0.19 0.20 1.13 0.87 -0.67 0.00 0.00 178.83 180.55 2jpt h LYS 49 N 0.00 0.01 -0.52 1.46 1.79 -1.37 1.39 116.57 119.33 2jpt h LYS 49 Ca -0.00 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2jpt h LYS 49 Cb 0.47 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.09 2jpt h LYS 49 CO 0.03 0.01 0.35 0.22 -1.08 0.00 0.00 179.45 178.97 2jpt h ASP 50 N 0.01 0.58 -3.38 0.86 3.58 -1.74 -3.40 116.42 112.93 2jpt h ASP 50 Ca 0.76 -0.01 -0.58 0.00 0.42 0.00 0.00 57.03 57.62 2jpt h ASP 50 Cb 3.01 -0.14 -0.08 0.00 1.72 0.00 0.00 39.33 43.84 2jpt h ASP 50 CO -0.03 0.42 0.03 0.00 -2.88 0.00 0.00 179.24 176.78 2jpt s ALA 51 N -5.59 3.47 0.05 -0.78 0.00 0.48 -4.94 121.76 114.44 2jpt s ALA 51 Ca -0.09 -0.15 0.33 0.00 0.00 0.00 0.00 51.96 52.05 2jpt s ALA 51 Cb 0.18 -2.87 1.29 0.00 0.00 0.00 0.00 23.12 21.72 2jpt s ALA 51 CO 0.75 -0.28 1.95 0.38 0.00 0.00 0.00 175.76 178.56 2jpt h ASP 52 N 7.09 0.00 -0.86 0.00 3.04 -1.81 -3.02 116.42 120.85 2jpt h ASP 52 Ca -0.37 0.00 0.22 0.00 -3.24 0.00 0.00 57.03 53.65 2jpt h ASP 52 Cb 1.17 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.41 2jpt h ASP 52 CO 0.76 0.00 0.59 0.00 -2.04 0.00 0.00 179.24 178.56 2jpt h ALA 53 N 2.01 2.49 -0.81 4.15 0.00 -1.92 0.54 119.26 125.73 2jpt h ALA 53 Ca 0.00 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 2jpt h ALA 53 Cb 0.54 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 2jpt h ALA 53 CO 0.00 -0.75 0.40 -0.39 0.00 0.00 0.00 179.25 178.51 2jpt h VAL 54 N 0.21 0.74 0.00 0.00 -1.51 -1.84 0.20 116.25 114.05 2jpt h VAL 54 Ca 0.43 -0.20 -0.09 0.00 -1.23 0.00 0.00 66.70 65.61 2jpt h VAL 54 Cb 1.37 0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 2jpt h VAL 54 CO -0.09 0.11 -0.42 -0.78 -1.23 0.00 0.00 177.57 175.15 2jpt h ASP 55 N 0.59 0.00 -0.67 4.19 3.58 -1.13 -3.09 116.42 119.91 2jpt h ASP 55 Ca 0.43 0.00 0.14 0.00 0.42 0.00 0.00 57.03 58.02 2jpt h ASP 55 Cb 0.59 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.54 2jpt h ASP 55 CO -0.35 0.42 0.10 0.50 -2.88 0.00 0.00 179.24 177.03 2jpt h LYS 56 N 0.00 0.20 -0.02 0.28 3.64 -0.49 -0.10 116.57 120.09 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 0.76 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2jpt h LYS 56 CO 0.05 0.13 -0.80 -0.39 -2.27 0.00 0.00 179.45 176.18 2jpt h VAL 57 N 0.21 1.46 -0.36 2.00 -1.51 -1.50 -3.08 116.25 113.46 2jpt h VAL 57 Ca 0.36 -2.42 0.10 0.00 -1.23 0.00 0.00 66.70 63.51 2jpt h VAL 57 Cb 0.59 2.33 -0.01 0.00 -2.13 0.00 0.00 31.29 32.06 2jpt h VAL 57 CO -0.50 0.71 0.31 0.24 -1.23 0.00 0.00 177.57 177.11 2jpt h MET 58 N 0.14 0.00 -0.75 5.19 2.86 -0.96 -0.16 114.93 121.24 2jpt h MET 58 Ca -0.04 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.81 2jpt h MET 58 Cb 1.40 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.02 2jpt h MET 58 CO 0.12 0.00 0.53 -0.22 1.06 0.00 0.00 176.91 178.41 2jpt h LYS 59 N 0.00 0.09 0.42 1.72 3.64 -1.32 1.54 116.57 122.66 2jpt h LYS 59 Ca 0.17 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2jpt h LYS 59 Cb 0.80 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 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 0.09 -0.54 -0.32 1.90 5.08 -1.24 -1.88 114.58 117.67 2jpt h GLU 60 Ca 0.36 0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.66 2jpt h GLU 60 Cb 1.31 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 2jpt h GLU 60 CO -0.04 -0.36 -0.22 1.37 -1.00 0.00 0.00 179.01 178.76 2jpt h LEU 61 N -0.83 0.62 0.04 1.33 8.10 -1.57 -3.02 115.31 119.97 2jpt h LEU 61 Ca -0.06 -0.21 0.02 0.00 0.11 0.00 0.00 57.88 57.74 2jpt h LEU 61 Cb 0.43 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.46 2jpt h LEU 61 CO 0.09 0.83 -0.13 -0.78 -4.11 0.00 0.00 178.44 174.35 2jpt h ASP 62 N 0.55 -0.37 -0.11 0.17 3.58 0.21 -0.92 116.42 119.53 2jpt h ASP 62 Ca 0.08 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.61 2jpt h ASP 62 Cb 0.67 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.86 2jpt h ASP 62 CO 0.05 -0.19 0.12 -0.08 -2.88 0.00 0.00 179.24 176.26 2jpt h GLU 63 N -0.24 0.00 -0.98 0.28 4.81 -1.27 0.12 114.58 117.29 2jpt h GLU 63 Ca 0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2jpt h GLU 63 Cb 0.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2jpt h GLU 63 CO -0.10 0.00 0.02 -0.25 -0.73 0.00 0.00 179.01 177.95 2jpt n ASP 64 N -3.91 2.11 -0.16 1.04 8.00 -0.35 -4.54 116.55 118.73 2jpt n ASP 64 Ca -0.00 -2.09 0.04 0.00 0.71 0.00 0.00 54.79 53.46 2jpt n ASP 64 Cb 0.23 -0.52 0.09 0.00 -0.02 0.00 0.00 41.12 40.90 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 0.20 -0.70 0.29 0.44 0.00 0.03 0.25 105.19 105.69 2jpt n GLY 65 Ca 0.03 0.47 0.05 0.00 0.00 0.00 0.00 46.02 46.57 2jpt n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jpt n ASP 66 N -4.64 1.41 -3.33 1.61 5.68 -1.26 -4.90 116.55 111.11 2jpt n ASP 66 Ca 0.09 -1.20 -0.13 0.00 -0.50 0.00 0.00 54.79 53.04 2jpt n ASP 66 Cb 0.28 0.37 0.07 0.00 -1.14 0.00 0.00 41.12 40.70 2jpt n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jpt n GLY 67 N 0.87 0.35 1.60 6.12 0.00 0.70 -5.01 105.19 109.82 2jpt n GLY 67 Ca 0.05 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.10 0.22 -4.04 1.61 0.28 -1.26 -3.19 120.64 112.15 2jpt n GLU 68 Ca 0.09 -1.64 -0.14 0.00 -0.16 0.00 0.00 57.16 55.32 2jpt n GLU 68 Cb 0.32 1.36 -0.14 0.00 1.43 0.00 0.00 31.44 34.42 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 -2.67 0.26 0.00 3.84 0.11 0.75 -4.85 120.40 117.85 2jpt s VAL 69 Ca 0.19 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2jpt s VAL 69 Cb 0.01 -0.26 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 2jpt s VAL 69 CO 0.14 -0.02 0.00 -0.67 -3.33 0.00 0.00 175.10 171.22 2jpt n ASP 70 N 2.74 0.00 0.06 3.54 2.03 -1.26 -2.91 116.55 120.75 2jpt n ASP 70 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 2jpt n ASP 70 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 -2.71 0.16 -0.67 7.35 -1.26 -3.74 117.46 116.59 2jpt n PHE 71 Ca 0.00 0.41 0.01 0.00 -0.76 0.00 0.00 57.45 57.10 2jpt n PHE 71 Cb 0.00 1.31 0.24 0.00 0.35 0.00 0.00 39.48 41.39 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 0.00 -0.33 -4.13 7.50 -2.01 -3.06 115.11 113.07 2jpt h GLN 72 Ca 0.00 0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.25 2jpt h GLN 72 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 2jpt h GLN 72 CO 0.00 0.52 0.67 0.93 -1.50 0.00 0.00 178.83 179.45 2jpt h GLU 73 N 0.00 0.00 0.00 1.46 5.08 -1.96 0.33 114.58 119.49 2jpt h GLU 73 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2jpt h GLU 73 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2jpt h GLU 73 CO 0.07 0.00 -0.28 0.10 -1.00 0.00 0.00 179.01 177.90 2jpt h TYR 74 N 0.00 0.00 0.09 4.33 -0.00 -1.95 -3.25 116.97 116.18 2jpt h TYR 74 Ca 0.16 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.90 2jpt h TYR 74 Cb 1.49 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 38.17 2jpt h TYR 74 CO 0.00 0.28 -0.54 -0.39 -0.00 0.00 0.00 178.16 177.52 2jpt h VAL 75 N 0.00 0.00 -0.95 -0.90 -1.51 -0.58 -1.33 116.25 110.98 2jpt h VAL 75 Ca -0.00 0.00 0.13 0.00 -1.23 0.00 0.00 66.70 65.59 2jpt h VAL 75 Cb 0.62 0.00 -0.08 0.00 -2.13 0.00 0.00 31.29 29.70 2jpt h VAL 75 CO 0.04 0.00 0.60 1.62 -1.23 0.00 0.00 177.57 178.60 2jpt h VAL 76 N -0.74 0.89 -0.87 7.19 3.04 -1.75 0.16 116.25 124.17 2jpt h VAL 76 Ca -0.00 -0.30 0.21 0.00 -1.01 0.00 0.00 66.70 65.61 2jpt h VAL 76 Cb 0.75 -0.05 -0.05 0.00 -2.01 0.00 0.00 31.29 29.93 2jpt h VAL 76 CO -0.31 0.16 0.59 0.25 -1.01 0.00 0.00 177.57 177.25 2jpt h LEU 77 N 0.86 0.26 -0.57 3.16 5.85 -1.32 0.50 115.31 124.06 2jpt h LEU 77 Ca 0.47 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 59.07 2jpt h LEU 77 Cb 0.57 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2jpt h LEU 77 CO -0.23 0.10 -0.47 0.58 -0.34 0.00 0.00 178.44 178.08 2jpt h VAL 78 N 0.26 1.31 0.07 1.05 2.07 -0.27 -3.07 116.25 117.66 2jpt h VAL 78 Ca 0.44 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 2jpt h VAL 78 Cb 1.31 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2jpt h VAL 78 CO -0.12 0.53 -0.03 0.00 0.02 0.00 0.00 177.57 177.97 2jpt h ALA 79 N 1.00 -0.09 -0.92 1.67 0.00 0.06 -1.79 119.26 119.19 2jpt h ALA 79 Ca 0.03 -0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.03 2jpt h ALA 79 Cb 1.00 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 2jpt h ALA 79 CO 0.09 -0.40 0.65 0.00 0.00 0.00 0.00 179.25 179.59 2jpt h ALA 80 N 0.50 2.67 0.02 0.00 0.00 -1.21 0.60 119.26 121.84 2jpt h ALA 80 Ca -0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2jpt h ALA 80 Cb 0.35 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2jpt h ALA 80 CO 0.02 -0.95 -0.52 1.25 0.00 0.00 0.00 179.25 179.05 2jpt h LEU 81 N 0.12 0.41 -0.07 0.00 6.46 -1.39 -3.12 115.31 117.72 2jpt h LEU 81 Ca 0.46 -0.81 -0.05 0.00 -0.12 0.00 0.00 57.88 57.36 2jpt h LEU 81 Cb 1.60 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.41 2jpt h LEU 81 CO -0.07 1.17 -0.16 0.00 -0.62 0.00 0.00 178.44 178.77 2jpt h THR 82 N -0.30 1.42 -0.96 1.05 1.03 -0.17 -2.57 112.91 112.41 2jpt h THR 82 Ca -0.07 -1.50 0.18 0.00 -0.01 0.00 0.00 66.41 65.00 2jpt h THR 82 Cb 1.28 2.25 -0.10 0.00 -1.07 0.00 0.00 68.15 70.50 2jpt h THR 82 CO 0.10 0.42 0.56 1.62 -0.01 0.00 0.00 175.52 178.21 2jpt h VAL 83 N -0.28 0.71 -0.21 0.00 3.04 -0.04 1.01 116.25 120.48 2jpt h VAL 83 Ca -0.00 -0.25 -0.13 0.00 -1.01 0.00 0.00 66.70 65.31 2jpt h VAL 83 Cb 0.76 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 2jpt h VAL 83 CO 0.03 0.13 -0.41 0.00 -1.01 0.00 0.00 177.57 176.32 2jpt h ALA 84 N 1.62 0.90 0.02 3.17 0.00 -1.54 -1.75 119.26 121.69 2jpt h ALA 84 Ca 0.55 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jpt h ALA 84 Cb 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2jpt h ALA 84 CO -0.38 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.50 2jpt h ASN 86 N -0.72 0.75 -0.40 0.00 -1.24 0.86 0.10 115.58 114.93 2jpt h ASN 86 Ca -0.00 0.02 0.12 0.00 0.71 0.00 0.00 56.30 57.15 2jpt h ASN 86 Cb 0.68 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.58 2jpt h ASN 86 CO 0.00 0.44 0.29 0.78 -1.29 0.00 0.00 177.43 177.65 2jpt h ASN 87 N 0.83 0.00 -0.59 1.15 2.35 -1.34 -1.15 115.58 116.83 2jpt h ASN 87 Ca 0.41 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 56.23 2jpt h ASN 87 Cb 0.45 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.76 2jpt h ASN 87 CO -0.17 0.00 0.26 0.15 -1.65 0.00 0.00 177.43 176.02 2jpt h PHE 88 N 0.00 0.47 -0.13 1.19 3.04 -0.83 -2.43 116.94 118.24 2jpt h PHE 88 Ca 0.19 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.14 2jpt h PHE 88 Cb 0.77 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.15 2jpt h PHE 88 CO 0.00 0.17 -0.02 0.74 -2.02 0.00 0.00 178.31 177.19 2jpt h PHE 89 N 0.48 0.28 -3.59 0.41 0.04 -1.32 -3.40 116.94 109.84 2jpt h PHE 89 Ca 0.28 -0.05 -0.69 0.00 2.80 0.00 0.00 57.97 60.31 2jpt h PHE 89 Cb 0.28 -0.07 -0.19 0.00 2.20 0.00 0.00 35.95 38.17 2jpt h PHE 89 CO -0.13 0.52 -0.34 -1.58 -0.60 0.00 0.00 178.31 176.18 2jpt s TRP 90 N -4.83 3.21 -0.41 -0.55 0.52 -0.91 -4.95 118.94 111.01 2jpt s TRP 90 Ca -0.14 -0.32 0.08 0.00 0.02 0.00 0.00 56.10 55.74 2jpt s TRP 90 Cb 0.05 -2.68 0.28 0.00 -1.15 0.00 0.00 33.47 29.97 2jpt s TRP 90 CO 0.72 -0.54 0.71 -1.91 0.02 0.00 0.00 176.95 175.94 2jpt n GLU 91 N 5.34 0.82 -2.85 4.98 2.13 -1.25 -4.61 120.64 125.20 2jpt n GLU 91 Ca -0.10 -2.82 -0.43 0.00 0.66 0.00 0.00 57.16 54.48 2jpt n GLU 91 Cb 0.48 -1.36 -0.04 0.00 0.27 0.00 0.00 31.44 30.79 2jpt n GLU 91 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2jpt s ASN 92 N -1.59 6.53 0.00 4.31 3.04 -1.26 -5.18 114.94 120.79 2jpt s ASN 92 Ca 0.34 0.22 0.00 0.00 0.04 0.00 0.00 52.86 53.46 2jpt s ASN 92 Cb 0.24 -2.44 0.00 0.00 -1.54 0.00 0.00 41.25 37.51 2jpt s ASN 92 CO -0.12 -0.95 0.00 -1.20 -3.04 0.00 0.00 177.10 171.79