#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 -5.01 0.17 1.61 7.64 -1.26 -4.84 113.62 111.93 2jpt n SER 2 Ca 0.00 0.10 0.03 0.00 1.01 0.00 0.00 58.87 60.01 2jpt n SER 2 Cb 0.00 -4.23 0.27 0.00 -1.01 0.00 0.00 64.21 59.25 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 -0.02 1.43 4.39 -2.06 -3.16 114.58 115.15 2jpt h GLU 3 Ca -0.40 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.25 2jpt h GLU 3 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2jpt h GLU 3 CO 0.49 0.47 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.58 2jpt h LEU 4 N 0.00 0.16 -1.82 1.33 -0.00 -2.00 -3.12 115.31 109.86 2jpt h LEU 4 Ca -0.00 -0.70 0.23 0.00 -0.00 0.00 0.00 57.88 57.40 2jpt h LEU 4 Cb 0.96 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.53 2jpt h LEU 4 CO 0.06 0.84 0.60 -0.33 -0.00 0.00 0.00 178.44 179.61 2jpt h GLU 5 N -0.50 0.14 -0.35 1.13 5.08 -1.95 0.40 114.58 118.52 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 30.05 2jpt h GLU 5 CO 0.03 0.10 -0.01 1.15 -1.00 0.00 0.00 179.01 179.28 2jpt h THR 6 N 0.15 1.26 -0.07 1.13 2.02 -1.52 -2.88 112.91 113.00 2jpt h THR 6 Ca 0.43 -1.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.46 2jpt h THR 6 Cb 1.45 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 2jpt h THR 6 CO -0.07 0.33 -0.61 0.00 0.37 0.00 0.00 175.52 175.54 2jpt h ALA 7 N 0.86 0.84 -0.81 6.16 0.00 -0.47 -3.02 119.26 122.81 2jpt h ALA 7 Ca 0.10 -0.55 0.15 0.00 0.00 0.00 0.00 54.91 54.61 2jpt h ALA 7 Cb 0.47 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 2jpt h ALA 7 CO 0.02 0.73 0.39 0.52 0.00 0.00 0.00 179.25 180.91 2jpt h MET 8 N 0.18 0.53 -0.19 0.00 2.07 -0.19 -0.26 114.93 117.07 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 0.09 0.35 -0.64 0.93 1.07 0.00 0.00 176.91 178.72 2jpt h GLU 9 N 0.55 0.71 -0.62 1.72 5.08 -1.46 -2.63 114.58 117.93 2jpt h GLU 9 Ca 0.45 -0.50 0.09 0.00 -1.00 0.00 0.00 59.36 58.40 2jpt h GLU 9 Cb 0.66 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 2jpt h GLU 9 CO -0.38 1.12 0.24 1.15 -1.00 0.00 0.00 179.01 180.14 2jpt h THR 10 N 0.52 0.77 -0.16 1.13 2.02 -0.96 1.29 112.91 117.53 2jpt h THR 10 Ca -0.01 -0.14 -0.15 0.00 0.77 0.00 0.00 66.41 66.87 2jpt h THR 10 Cb 1.24 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2jpt h THR 10 CO 0.13 0.08 -0.54 -0.07 0.37 0.00 0.00 175.52 175.49 2jpt h LEU 11 N 0.42 0.51 -0.17 2.58 3.38 -1.30 -2.73 115.31 118.00 2jpt h LEU 11 Ca 0.31 -0.27 -0.23 0.00 0.09 0.00 0.00 57.88 57.79 2jpt h LEU 11 Cb 0.38 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.99 2jpt h LEU 11 CO -0.30 0.95 -0.83 0.40 0.09 0.00 0.00 178.44 178.75 2jpt h ILE 12 N 0.36 1.30 -0.14 1.22 2.04 -0.84 -2.35 117.51 119.09 2jpt h ILE 12 Ca 0.01 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 63.81 2jpt h ILE 12 Cb 1.06 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 2jpt h ILE 12 CO 0.10 0.65 0.08 0.78 0.00 0.00 0.00 178.15 179.75 2jpt h ASN 13 N 0.47 0.14 -0.18 1.72 2.35 0.17 -0.27 115.58 119.96 2jpt h ASN 13 Ca -0.06 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 2jpt h ASN 13 Cb 1.45 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.78 2jpt h ASN 13 CO 0.16 0.10 -0.13 1.62 -1.65 0.00 0.00 177.43 177.53 2jpt h VAL 14 N 0.17 1.24 0.56 2.81 3.04 -1.54 -1.05 116.25 121.49 2jpt h VAL 14 Ca 0.06 -1.08 -0.03 0.00 -1.01 0.00 0.00 66.70 64.64 2jpt h VAL 14 Cb -0.01 1.14 0.01 0.00 -2.01 0.00 0.00 31.29 30.42 2jpt h VAL 14 CO -0.03 0.36 -0.27 0.15 -1.01 0.00 0.00 177.57 176.77 2jpt h PHE 15 N 0.52 -0.70 -0.37 3.17 3.57 -0.94 -2.33 116.94 119.86 2jpt h PHE 15 Ca 0.09 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2jpt h PHE 15 Cb 0.53 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2jpt h PHE 15 CO 0.02 -0.38 0.21 1.25 -2.23 0.00 0.00 178.31 177.19 2jpt h HIS 16 N -0.92 0.49 -0.52 0.41 2.76 -1.03 -2.29 115.15 114.05 2jpt h HIS 16 Ca -0.08 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.12 2jpt h HIS 16 Cb 0.63 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.40 2jpt h HIS 16 CO -0.01 0.34 0.31 0.00 -1.30 0.00 0.00 177.93 177.27 2jpt h ALA 17 N 1.72 0.67 -3.00 5.26 0.00 -1.02 -3.39 119.26 119.51 2jpt h ALA 17 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jpt h ALA 17 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2jpt h ALA 17 CO -0.02 0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.96 2jpt n HIS 18 N -4.80 0.00 -5.26 0.00 -0.00 -0.87 -4.98 115.22 99.30 2jpt n HIS 18 Ca 0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.45 2jpt n HIS 18 Cb 0.08 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.91 2jpt n HIS 18 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jpt s SER 19 N -1.24 3.03 -0.07 0.41 0.15 -1.15 -5.02 113.70 109.81 2jpt s SER 19 Ca 0.00 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.14 2jpt s SER 19 Cb 0.00 -0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 63.58 2jpt s SER 19 CO 0.00 0.26 -0.07 0.61 1.20 0.00 0.00 173.24 175.24 2jpt n GLY 20 N 2.81 -0.10 2.28 9.45 0.00 -1.26 -4.60 105.19 113.77 2jpt n GLY 20 Ca -0.17 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.00 2.55 -0.92 1.61 4.81 -1.26 -4.99 118.16 116.96 2jpt n LYS 21 Ca -0.12 -3.03 -0.36 0.00 -0.87 0.00 0.00 58.31 53.92 2jpt n LYS 21 Cb 0.61 -2.19 -0.09 0.00 0.02 0.00 0.00 35.03 33.38 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 -0.71 0.00 -0.26 1.64 0.28 -1.26 -4.68 120.64 115.64 2jpt n GLU 22 Ca 0.58 0.00 0.31 0.00 -0.16 0.00 0.00 57.16 57.89 2jpt n GLU 22 Cb 0.64 -1.03 0.71 0.00 1.43 0.00 0.00 31.44 33.19 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 6.91 0.16 -5.03 -1.84 0.00 -2.01 -3.39 103.07 97.86 2jpt h GLY 23 Ca -0.06 -0.03 -0.68 0.00 0.00 0.00 0.00 47.33 46.57 2jpt h GLY 23 CO 0.82 -0.01 -0.68 0.99 0.00 0.00 0.00 176.54 177.65 2jpt s ASP 24 N -5.38 4.75 0.41 0.19 1.01 -1.26 -5.07 116.67 111.32 2jpt s ASP 24 Ca -0.05 -0.03 -0.15 0.00 0.71 0.00 0.00 52.55 53.03 2jpt s ASP 24 Cb 0.23 -1.20 -0.12 0.00 1.01 0.00 0.00 42.92 42.84 2jpt s ASP 24 CO 0.79 0.34 -0.10 0.29 0.21 0.00 0.00 175.17 176.70 2jpt n LYS 25 N 1.99 0.00 -1.45 8.23 5.02 -1.26 -4.46 118.16 126.23 2jpt n LYS 25 Ca -0.17 0.00 -0.61 0.00 -2.02 0.00 0.00 58.31 55.51 2jpt n LYS 25 Cb 0.53 -0.82 -0.11 0.00 -0.02 0.00 0.00 35.03 34.61 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 -1.24 1.45 -3.58 2.13 4.11 -1.26 -4.88 117.16 113.88 2jpt n TYR 26 Ca 0.07 0.81 -0.02 0.00 -0.00 0.00 0.00 57.90 58.75 2jpt n TYR 26 Cb 0.39 -2.31 -0.06 0.00 -0.00 0.00 0.00 39.34 37.36 2jpt n TYR 26 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.86 175.27 2jpt s LYS 27 N 4.98 0.47 -0.12 -3.48 -2.85 -1.25 -4.60 119.74 112.88 2jpt s LYS 27 Ca 1.13 0.95 -0.01 0.00 -1.00 0.00 0.00 55.97 57.04 2jpt s LYS 27 Cb -1.40 0.33 0.03 0.00 -2.06 0.00 0.00 37.83 34.73 2jpt s LYS 27 CO 0.69 -0.12 -0.05 -0.51 0.10 0.00 0.00 175.35 175.46 2jpt s LEU 28 N 1.98 1.15 0.97 2.77 1.43 -0.44 -4.95 118.68 121.59 2jpt s LEU 28 Ca -0.07 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 2jpt s LEU 28 Cb -0.06 -0.76 0.17 0.00 0.03 0.00 0.00 46.19 45.57 2jpt s LEU 28 CO -0.17 -0.16 1.09 -0.55 0.23 0.00 0.00 176.35 176.79 2jpt s SER 29 N 1.75 2.66 0.20 2.29 0.15 -1.26 -1.47 113.70 118.04 2jpt s SER 29 Ca 0.04 1.74 -0.12 0.00 0.70 0.00 0.00 55.95 58.31 2jpt s SER 29 Cb -0.13 -2.35 0.26 0.00 -1.71 0.00 0.00 66.02 62.08 2jpt s SER 29 CO -0.07 -3.19 1.68 0.07 1.20 0.00 0.00 173.24 172.93 2jpt h LYS 30 N -1.92 0.13 -0.07 5.44 2.10 -1.69 -1.16 116.57 119.39 2jpt h LYS 30 Ca -0.50 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.16 2jpt h LYS 30 Cb 1.29 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.57 2jpt h LYS 30 CO 0.49 0.09 -0.04 0.87 -2.00 0.00 0.00 179.45 178.86 2jpt h LYS 31 N 0.14 -0.04 -0.60 0.07 1.57 -1.91 0.99 116.57 116.80 2jpt h LYS 31 Ca 0.30 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.16 2jpt h LYS 31 Cb 0.46 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 2jpt h LYS 31 CO -0.47 -0.03 0.26 1.49 -0.57 0.00 0.00 179.45 180.14 2jpt h GLU 32 N -0.04 0.47 0.16 3.15 4.81 -1.68 0.41 114.58 121.85 2jpt h GLU 32 Ca 0.04 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2jpt h GLU 32 Cb 0.11 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2jpt h GLU 32 CO -0.10 0.31 -0.07 1.25 -0.73 0.00 0.00 179.01 179.66 2jpt h LEU 33 N 0.48 -0.18 -0.94 1.64 6.46 -0.90 -1.53 115.31 120.35 2jpt h LEU 33 Ca 0.29 -0.27 0.21 0.00 -0.12 0.00 0.00 57.88 57.99 2jpt h LEU 33 Cb 0.30 0.05 -0.12 0.00 -0.73 0.00 0.00 40.66 40.15 2jpt h LEU 33 CO -0.25 0.39 0.50 0.50 -0.62 0.00 0.00 178.44 178.96 2jpt h LYS 34 N -0.97 0.53 -0.05 1.25 3.64 0.11 0.43 116.57 121.51 2jpt h LYS 34 Ca -0.02 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 2jpt h LYS 34 Cb 0.44 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2jpt h LYS 34 CO 0.03 0.35 -0.61 0.93 -2.27 0.00 0.00 179.45 177.89 2jpt h GLU 35 N 0.54 0.17 -0.24 1.90 4.39 -0.25 -3.04 114.58 118.06 2jpt h GLU 35 Ca 0.58 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 60.21 2jpt h GLU 35 Cb 1.04 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.63 2jpt h GLU 35 CO -0.47 0.72 -0.44 1.25 -1.16 0.00 0.00 179.01 178.92 2jpt h LEU 36 N 0.12 -1.41 0.16 1.33 6.46 0.96 0.72 115.31 123.66 2jpt h LEU 36 Ca -0.01 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 2jpt h LEU 36 Cb 1.10 0.59 0.00 0.00 -0.73 0.00 0.00 40.66 41.62 2jpt h LEU 36 CO 0.09 -0.41 -0.08 -0.07 -0.62 0.00 0.00 178.44 177.35 2jpt h LEU 37 N -0.44 -0.19 -0.81 2.25 4.07 -1.62 -2.57 115.31 116.01 2jpt h LEU 37 Ca 0.09 -0.35 0.19 0.00 0.08 0.00 0.00 57.88 57.88 2jpt h LEU 37 Cb 0.62 0.05 -0.12 0.00 1.08 0.00 0.00 40.66 42.29 2jpt h LEU 37 CO -0.47 0.35 0.25 1.56 -1.08 0.00 0.00 178.44 179.06 2jpt h GLN 38 N -0.83 0.30 0.00 1.13 4.20 -1.43 1.55 115.11 120.04 2jpt h GLN 38 Ca -0.02 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 2jpt h GLN 38 Cb 0.53 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2jpt h GLN 38 CO 0.04 0.20 -0.18 1.79 -0.67 0.00 0.00 178.83 180.00 2jpt h THR 39 N 0.31 1.07 0.00 -0.54 1.35 0.42 3.20 112.91 118.71 2jpt h THR 39 Ca 0.48 -0.65 -0.02 0.00 -0.55 0.00 0.00 66.41 65.67 2jpt h THR 39 Cb 0.85 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2jpt h THR 39 CO -0.53 0.18 -0.13 -0.33 -0.25 0.00 0.00 175.52 174.46 2jpt h GLU 40 N 0.00 0.00 -0.64 4.72 3.07 0.20 -3.36 114.58 118.58 2jpt h GLU 40 Ca -0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.57 2jpt h GLU 40 Cb 0.34 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 28.08 2jpt h GLU 40 CO 0.02 0.95 0.24 1.47 -1.40 0.00 0.00 179.01 180.30 2jpt n LEU 41 N -4.60 5.37 -0.23 1.33 -0.00 0.42 -4.70 117.00 114.59 2jpt n LEU 41 Ca -0.12 -3.54 -0.00 0.00 -0.00 0.00 0.00 56.01 52.34 2jpt n LEU 41 Cb 0.48 -0.72 0.06 0.00 -0.00 0.00 0.00 43.42 43.25 2jpt n LEU 41 CO 0.31 1.05 0.72 0.28 -0.00 0.00 0.00 177.39 179.74 2jpt h SER 42 N 1.40 -0.68 0.59 1.45 0.02 0.57 1.33 113.55 118.24 2jpt h SER 42 Ca 0.35 0.20 -0.22 0.00 -0.84 0.00 0.00 61.79 61.29 2jpt h SER 42 Cb 2.18 0.43 -0.01 0.00 0.14 0.00 0.00 62.40 65.15 2jpt h SER 42 CO 0.68 -0.23 -0.96 1.23 -1.14 0.00 0.00 176.83 176.41 2jpt h GLY 43 N -0.02 0.25 0.29 -3.77 0.00 -1.84 -3.30 103.07 94.69 2jpt h GLY 43 Ca 0.31 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2jpt h GLY 43 CO -0.69 0.43 -0.11 -2.75 0.00 0.00 0.00 176.54 173.41 2jpt h PHE 44 N 0.11 -0.29 0.00 5.60 3.04 -1.40 -3.18 116.94 120.82 2jpt h PHE 44 Ca -0.06 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.88 2jpt h PHE 44 Cb 1.62 0.10 0.00 0.00 2.56 0.00 0.00 35.95 40.23 2jpt h PHE 44 CO 0.04 -0.03 0.37 1.37 -2.02 0.00 0.00 178.31 178.04 2jpt h LEU 45 N -1.02 0.00 -2.10 0.59 -0.00 0.15 0.24 115.31 113.17 2jpt h LEU 45 Ca -0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.94 2jpt h LEU 45 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.04 2jpt h LEU 45 CO 0.05 0.00 0.30 -0.78 -0.00 0.00 0.00 178.44 178.01 2jpt h ASP 46 N 0.00 0.00 0.31 0.17 1.82 -1.62 0.19 116.42 117.30 2jpt h ASP 46 Ca 0.00 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.31 2jpt h ASP 46 Cb 0.74 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.75 2jpt h ASP 46 CO 0.00 0.00 -1.66 0.00 -1.61 0.00 0.00 179.24 175.97 2jpt h ALA 47 N 1.71 0.23 0.00 -0.78 0.00 -0.73 -3.32 119.26 116.37 2jpt h ALA 47 Ca 0.15 -1.15 -0.06 0.00 0.00 0.00 0.00 54.91 53.85 2jpt h ALA 47 Cb 0.74 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2jpt h ALA 47 CO -0.00 1.10 -0.30 1.96 0.00 0.00 0.00 179.25 182.01 2jpt h GLN 48 N 0.09 0.00 -1.34 0.00 4.20 -1.12 -3.02 115.11 113.91 2jpt h GLN 48 Ca -0.30 0.00 0.41 0.00 0.06 0.00 0.00 58.65 58.82 2jpt h GLN 48 Cb 2.06 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.73 2jpt h GLN 48 CO 0.17 0.30 0.90 0.87 -0.67 0.00 0.00 178.83 180.39 2jpt h LYS 49 N 0.00 0.11 -0.34 1.46 1.79 -0.82 1.74 116.57 120.51 2jpt h LYS 49 Ca -0.00 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2jpt h LYS 49 Cb 0.70 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 2jpt h LYS 49 CO 0.04 0.07 0.20 0.22 -1.08 0.00 0.00 179.45 178.90 2jpt h ASP 50 N 0.12 0.40 -3.37 0.86 1.82 -1.76 -3.41 116.42 111.09 2jpt h ASP 50 Ca 0.77 -0.02 -0.56 0.00 -0.39 0.00 0.00 57.03 56.83 2jpt h ASP 50 Cb 2.52 -0.10 -0.05 0.00 0.68 0.00 0.00 39.33 42.37 2jpt h ASP 50 CO -0.29 0.32 0.11 0.00 -1.61 0.00 0.00 179.24 177.77 2jpt s ALA 51 N -5.37 3.32 0.01 -0.78 0.00 0.59 -4.94 121.76 114.59 2jpt s ALA 51 Ca -0.08 0.17 0.32 0.00 0.00 0.00 0.00 51.96 52.37 2jpt s ALA 51 Cb 0.17 -2.99 1.26 0.00 0.00 0.00 0.00 23.12 21.56 2jpt s ALA 51 CO 0.73 -0.12 1.93 0.38 0.00 0.00 0.00 175.76 178.68 2jpt h ASP 52 N 6.77 0.00 -0.79 0.00 3.04 -1.81 -3.02 116.42 120.61 2jpt h ASP 52 Ca -0.41 0.00 0.23 0.00 -3.24 0.00 0.00 57.03 53.61 2jpt h ASP 52 Cb 1.20 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.46 2jpt h ASP 52 CO 0.75 0.00 0.60 0.00 -2.04 0.00 0.00 179.24 178.55 2jpt h ALA 53 N 2.03 2.71 -0.57 4.15 0.00 -1.92 0.36 119.26 126.03 2jpt h ALA 53 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2jpt h ALA 53 Cb 0.53 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2jpt h ALA 53 CO 0.00 -1.00 0.25 -0.39 0.00 0.00 0.00 179.25 178.11 2jpt h VAL 54 N 0.00 0.87 0.00 0.00 -1.51 -1.82 -0.24 116.25 113.55 2jpt h VAL 54 Ca 0.37 -0.16 -0.06 0.00 -1.23 0.00 0.00 66.70 65.63 2jpt h VAL 54 Cb 1.56 0.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 2jpt h VAL 54 CO -0.00 0.08 -0.27 -0.78 -1.23 0.00 0.00 177.57 175.37 2jpt h ASP 55 N 0.47 0.00 -0.69 4.19 1.82 -1.17 -2.95 116.42 118.08 2jpt h ASP 55 Ca 0.27 0.00 0.14 0.00 -0.39 0.00 0.00 57.03 57.05 2jpt h ASP 55 Cb 0.26 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 40.16 2jpt h ASP 55 CO -0.23 0.27 0.14 0.50 -1.61 0.00 0.00 179.24 178.31 2jpt h LYS 56 N 0.00 0.24 -0.03 0.28 3.64 -0.94 0.18 116.57 119.94 2jpt h LYS 56 Ca -0.00 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 2jpt h LYS 56 Cb 0.50 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2jpt h LYS 56 CO 0.04 0.16 -0.76 -0.39 -2.27 0.00 0.00 179.45 176.22 2jpt h VAL 57 N 0.24 1.44 -0.35 2.00 -1.51 -1.52 -3.04 116.25 113.51 2jpt h VAL 57 Ca 0.38 -2.33 0.10 0.00 -1.23 0.00 0.00 66.70 63.61 2jpt h VAL 57 Cb 0.62 2.26 -0.01 0.00 -2.13 0.00 0.00 31.29 32.03 2jpt h VAL 57 CO -0.49 0.69 0.29 0.24 -1.23 0.00 0.00 177.57 177.06 2jpt h MET 58 N 0.15 0.00 -0.53 5.19 2.86 -0.92 0.91 114.93 122.59 2jpt h MET 58 Ca -0.03 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.75 2jpt h MET 58 Cb 1.34 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.98 2jpt h MET 58 CO 0.12 0.00 0.37 -0.22 1.06 0.00 0.00 176.91 178.24 2jpt h LYS 59 N 0.00 0.08 0.44 1.72 3.64 -1.28 1.36 116.57 122.53 2jpt h LYS 59 Ca 0.16 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2jpt h LYS 59 Cb 0.74 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2jpt h LYS 59 CO -0.00 0.05 -0.21 0.93 -2.27 0.00 0.00 179.45 177.95 2jpt h GLU 60 N 0.08 -0.57 -0.06 1.90 5.08 -1.01 -0.32 114.58 119.68 2jpt h GLU 60 Ca 0.25 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.56 2jpt h GLU 60 Cb 0.89 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2jpt h GLU 60 CO -0.02 -0.38 -0.37 1.37 -1.00 0.00 0.00 179.01 178.60 2jpt h LEU 61 N -0.87 0.13 0.23 1.33 8.10 -1.57 -3.17 115.31 119.50 2jpt h LEU 61 Ca -0.06 -0.05 -0.01 0.00 0.11 0.00 0.00 57.88 57.87 2jpt h LEU 61 Cb 0.45 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.64 2jpt h LEU 61 CO 0.10 0.50 -0.11 -0.78 -4.11 0.00 0.00 178.44 174.04 2jpt h ASP 62 N 0.11 -0.26 -0.88 0.17 3.58 0.18 0.12 116.42 119.43 2jpt h ASP 62 Ca 0.01 -0.19 0.08 0.00 0.42 0.00 0.00 57.03 57.35 2jpt h ASP 62 Cb 0.72 0.07 -0.11 0.00 1.72 0.00 0.00 39.33 41.73 2jpt h ASP 62 CO 0.05 0.06 -0.52 1.21 -2.88 0.00 0.00 179.24 177.17 2jpt n GLU 63 N -5.10 -0.39 -0.72 0.28 2.13 -0.13 0.14 120.64 116.86 2jpt n GLU 63 Ca -0.09 1.45 -0.05 0.00 0.66 0.00 0.00 57.16 59.12 2jpt n GLU 63 Cb 0.23 -2.13 0.20 0.00 0.27 0.00 0.00 31.44 30.02 2jpt n GLU 63 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jpt n ASP 64 N -4.98 3.88 -0.33 4.31 8.00 -1.23 -4.63 116.55 121.57 2jpt n ASP 64 Ca 0.02 -2.85 0.04 0.00 0.71 0.00 0.00 54.79 52.71 2jpt n ASP 64 Cb 0.23 -0.68 0.10 0.00 -0.02 0.00 0.00 41.12 40.76 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 -0.07 -1.59 0.29 0.44 0.00 0.37 0.34 105.19 104.97 2jpt n GLY 65 Ca 0.29 0.97 0.14 0.00 0.00 0.00 0.00 46.02 47.42 2jpt n GLY 65 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jpt h ASP 66 N 0.00 0.00 -1.20 1.61 3.58 -1.82 -3.35 116.42 115.23 2jpt h ASP 66 Ca 0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.85 2jpt h ASP 66 Cb 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2jpt h ASP 66 CO -0.91 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.06 2jpt n GLY 67 N -1.35 0.78 1.62 -0.78 0.00 1.03 -4.93 105.19 101.56 2jpt n GLY 67 Ca -0.03 -1.87 -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 -0.03 0.22 -3.77 1.61 0.28 -1.26 -3.20 120.64 114.49 2jpt n GLU 68 Ca 0.00 -1.66 -0.13 0.00 -0.16 0.00 0.00 57.16 55.22 2jpt n GLU 68 Cb 0.00 1.38 -0.08 0.00 1.43 0.00 0.00 31.44 34.16 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 -2.68 0.07 0.00 3.84 0.11 -0.54 -4.94 120.40 116.26 2jpt s VAL 69 Ca 0.20 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 2jpt s VAL 69 Cb 0.01 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 2jpt s VAL 69 CO 0.14 -0.30 0.00 -0.67 -3.33 0.00 0.00 175.10 170.94 2jpt n ASP 70 N 1.15 0.00 0.01 3.54 2.03 -1.26 -1.32 116.55 120.69 2jpt n ASP 70 Ca -0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.10 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 -2.55 -0.33 -0.67 7.35 -1.26 -3.60 117.46 116.40 2jpt n PHE 71 Ca 0.00 0.05 0.17 0.00 -0.76 0.00 0.00 57.45 56.90 2jpt n PHE 71 Cb 0.00 0.60 0.40 0.00 0.35 0.00 0.00 39.48 40.83 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 0.59 -0.31 -4.13 7.50 -2.02 0.23 115.11 116.96 2jpt h GLN 72 Ca 0.00 -0.04 0.09 0.00 0.50 0.00 0.00 58.65 59.20 2jpt h GLN 72 Cb 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.39 2jpt h GLN 72 CO 0.00 0.39 0.65 0.93 -1.50 0.00 0.00 178.83 179.30 2jpt h GLU 73 N 0.60 0.00 0.00 1.46 5.08 -1.97 0.32 114.58 120.08 2jpt h GLU 73 Ca 0.57 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.87 2jpt h GLU 73 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2jpt h GLU 73 CO -0.33 0.00 -0.26 0.10 -1.00 0.00 0.00 179.01 177.52 2jpt h TYR 74 N 0.00 0.00 0.04 4.33 -0.00 -0.96 -3.25 116.97 117.14 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 1.44 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 38.12 2jpt h TYR 74 CO 0.00 0.26 -0.50 -0.39 -0.00 0.00 0.00 178.16 177.52 2jpt h VAL 75 N 0.00 0.04 -0.96 -0.90 -1.51 -0.52 -1.06 116.25 111.34 2jpt h VAL 75 Ca -0.00 0.00 0.13 0.00 -1.23 0.00 0.00 66.70 65.60 2jpt h VAL 75 Cb 0.62 0.04 -0.08 0.00 -2.13 0.00 0.00 31.29 29.74 2jpt h VAL 75 CO 0.03 0.00 0.61 1.62 -1.23 0.00 0.00 177.57 178.60 2jpt h VAL 76 N -0.68 0.88 -0.87 7.19 3.04 -1.76 0.20 116.25 124.25 2jpt h VAL 76 Ca 0.02 -0.30 0.22 0.00 -1.01 0.00 0.00 66.70 65.63 2jpt h VAL 76 Cb 0.72 -0.07 -0.05 0.00 -2.01 0.00 0.00 31.29 29.88 2jpt h VAL 76 CO -0.32 0.16 0.60 0.25 -1.01 0.00 0.00 177.57 177.24 2jpt h LEU 77 N 0.87 0.23 -0.58 3.16 5.85 -1.28 0.59 115.31 124.16 2jpt h LEU 77 Ca 0.48 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 59.08 2jpt h LEU 77 Cb 0.59 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2jpt h LEU 77 CO -0.25 0.09 -0.53 0.58 -0.34 0.00 0.00 178.44 177.99 2jpt h VAL 78 N 0.23 1.33 0.04 1.05 2.07 -0.20 -3.14 116.25 117.63 2jpt h VAL 78 Ca 0.44 -1.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 2jpt h VAL 78 Cb 1.35 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2jpt h VAL 78 CO -0.11 0.55 -0.02 0.00 0.02 0.00 0.00 177.57 178.01 2jpt h ALA 79 N 1.04 -0.05 -0.92 1.67 0.00 0.27 -1.93 119.26 119.34 2jpt h ALA 79 Ca 0.01 -0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.01 2jpt h ALA 79 Cb 1.05 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 2jpt h ALA 79 CO 0.10 -0.37 0.65 0.00 0.00 0.00 0.00 179.25 179.63 2jpt h ALA 80 N 0.56 2.72 0.01 0.00 0.00 -1.25 0.66 119.26 121.96 2jpt h ALA 80 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2jpt h ALA 80 Cb 0.35 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jpt h ALA 80 CO 0.01 -0.99 -0.17 1.25 0.00 0.00 0.00 179.25 179.35 2jpt h LEU 81 N 0.09 0.13 -0.12 0.00 6.46 -1.45 -3.09 115.31 117.33 2jpt h LEU 81 Ca 0.45 -0.83 -0.05 0.00 -0.12 0.00 0.00 57.88 57.33 2jpt h LEU 81 Cb 1.64 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 41.52 2jpt h LEU 81 CO -0.05 0.95 -0.12 0.00 -0.62 0.00 0.00 178.44 178.60 2jpt h THR 82 N -0.67 1.35 -0.98 1.05 1.03 -0.35 -2.96 112.91 111.37 2jpt h THR 82 Ca -0.02 -1.26 0.15 0.00 -0.01 0.00 0.00 66.41 65.27 2jpt h THR 82 Cb 0.98 1.90 -0.10 0.00 -1.07 0.00 0.00 68.15 69.87 2jpt h THR 82 CO 0.03 0.36 0.60 1.62 -0.01 0.00 0.00 175.52 178.12 2jpt h VAL 83 N -0.09 0.80 -0.31 0.00 3.04 0.11 0.27 116.25 120.08 2jpt h VAL 83 Ca 0.02 -0.29 -0.05 0.00 -1.01 0.00 0.00 66.70 65.37 2jpt h VAL 83 Cb 0.63 -0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 29.78 2jpt h VAL 83 CO 0.03 0.16 -0.01 0.00 -1.01 0.00 0.00 177.57 176.73 2jpt h ALA 84 N 1.59 1.41 -0.11 3.17 0.00 -1.49 -1.93 119.26 121.91 2jpt h ALA 84 Ca 0.53 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 55.03 2jpt h ALA 84 Cb 0.68 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jpt h ALA 84 CO -0.33 0.41 -0.77 0.00 0.00 0.00 0.00 179.25 178.56 2jpt h ASN 86 N 0.41 1.08 0.09 0.00 -1.24 -0.52 -1.23 115.58 114.17 2jpt h ASN 86 Ca -0.07 -0.05 -0.01 0.00 0.71 0.00 0.00 56.30 56.89 2jpt h ASN 86 Cb 1.41 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 40.19 2jpt h ASN 86 CO 0.16 0.81 -0.06 0.78 -1.29 0.00 0.00 177.43 177.82 2jpt h ASN 87 N 1.26 0.00 -0.16 1.15 2.35 -1.36 0.38 115.58 119.20 2jpt h ASN 87 Ca 0.33 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.11 2jpt h ASN 87 Cb -0.10 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2jpt h ASN 87 CO -0.07 0.06 -0.01 0.15 -1.65 0.00 0.00 177.43 175.91 2jpt h PHE 88 N 0.00 -0.03 0.20 1.19 3.57 -1.21 -0.47 116.94 120.19 2jpt h PHE 88 Ca -0.00 0.01 -0.32 0.00 3.53 0.00 0.00 57.97 61.20 2jpt h PHE 88 Cb 0.12 0.04 0.02 0.00 2.79 0.00 0.00 35.95 38.92 2jpt h PHE 88 CO 0.00 -0.04 -1.44 0.74 -2.23 0.00 0.00 178.31 175.34 2jpt h PHE 89 N 0.04 0.75 -2.87 0.41 0.04 -1.51 -3.41 116.94 110.38 2jpt h PHE 89 Ca 0.07 -0.55 -0.60 0.00 2.80 0.00 0.00 57.97 59.69 2jpt h PHE 89 Cb 0.10 -0.03 -0.40 0.00 2.20 0.00 0.00 35.95 37.82 2jpt h PHE 89 CO -0.17 1.47 -0.77 -1.58 -0.60 0.00 0.00 178.31 176.66 2jpt s TRP 90 N -2.62 1.63 -0.48 -0.55 0.52 0.09 -4.95 118.94 112.58 2jpt s TRP 90 Ca -0.08 -2.21 0.17 0.00 0.02 0.00 0.00 56.10 54.00 2jpt s TRP 90 Cb 0.05 -1.61 0.84 0.00 -1.15 0.00 0.00 33.47 31.60 2jpt s TRP 90 CO 0.91 -0.79 1.51 -0.85 0.02 0.00 0.00 176.95 177.74 2jpt n GLU 91 N 3.66 0.11 0.00 4.98 0.28 -0.20 -4.00 120.64 125.48 2jpt n GLU 91 Ca 0.10 0.54 0.00 0.00 -0.16 0.00 0.00 57.16 57.64 2jpt n GLU 91 Cb 0.35 -1.81 0.00 0.00 1.43 0.00 0.00 31.44 31.41 2jpt n GLU 91 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2jpt n ASN 92 N -2.03 0.00 0.00 -1.84 3.02 -1.26 -4.98 115.26 108.17 2jpt n ASN 92 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2jpt n ASN 92 Cb 0.07 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 2jpt n ASN 92 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40