#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 -2.17 0.23 1.61 3.41 -1.26 -4.94 113.62 110.51 2jpt n SER 2 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 2jpt n SER 2 Cb 0.00 -0.40 0.48 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.01 4.33 4.39 -2.06 -3.09 114.58 118.13 2jpt h GLU 3 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2jpt h GLU 3 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2jpt h GLU 3 CO 0.00 0.17 -0.10 -0.07 -1.16 0.00 0.00 179.01 177.85 2jpt h LEU 4 N 0.00 0.10 -1.68 1.33 -0.00 -2.00 -3.12 115.31 109.94 2jpt h LEU 4 Ca -0.00 -0.71 0.16 0.00 -0.00 0.00 0.00 57.88 57.33 2jpt h LEU 4 Cb 0.73 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.31 2jpt h LEU 4 CO 0.02 0.80 0.49 -0.33 -0.00 0.00 0.00 178.44 179.42 2jpt h GLU 5 N -0.58 0.30 -0.52 1.13 5.08 -1.96 0.91 114.58 118.93 2jpt h GLU 5 Ca -0.01 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2jpt h GLU 5 Cb 0.80 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2jpt h GLU 5 CO 0.02 0.20 0.19 1.15 -1.00 0.00 0.00 179.01 179.57 2jpt h THR 6 N 0.31 1.22 -0.12 1.13 2.02 -1.52 -2.72 112.91 113.24 2jpt h THR 6 Ca 0.35 -0.71 -0.16 0.00 0.77 0.00 0.00 66.41 66.67 2jpt h THR 6 Cb 0.94 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2jpt h THR 6 CO -0.09 0.27 -0.59 0.00 0.37 0.00 0.00 175.52 175.47 2jpt h ALA 7 N 1.04 0.76 -0.90 6.16 0.00 -0.86 -2.92 119.26 122.54 2jpt h ALA 7 Ca 0.17 -0.54 0.12 0.00 0.00 0.00 0.00 54.91 54.67 2jpt h ALA 7 Cb 0.23 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 2jpt h ALA 7 CO -0.01 0.71 0.52 0.52 0.00 0.00 0.00 179.25 180.99 2jpt h MET 8 N 0.29 0.78 -0.25 0.00 2.07 -0.65 -1.10 114.93 116.07 2jpt h MET 8 Ca -0.00 -0.05 -0.20 0.00 -2.07 0.00 0.00 59.70 57.38 2jpt h MET 8 Cb 1.12 -0.18 0.00 0.00 -1.87 0.00 0.00 31.60 30.68 2jpt h MET 8 CO 0.10 0.52 -0.62 0.93 1.07 0.00 0.00 176.91 178.91 2jpt h GLU 9 N 0.81 0.86 -0.55 1.72 5.08 -1.43 -2.22 114.58 118.84 2jpt h GLU 9 Ca 0.46 -0.59 0.09 0.00 -1.00 0.00 0.00 59.36 58.31 2jpt h GLU 9 Cb 0.51 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 2jpt h GLU 9 CO -0.29 1.22 0.18 1.15 -1.00 0.00 0.00 179.01 180.27 2jpt h THR 10 N 0.64 0.77 -0.15 1.13 2.02 -1.05 1.39 112.91 117.66 2jpt h THR 10 Ca -0.01 -0.12 -0.16 0.00 0.77 0.00 0.00 66.41 66.89 2jpt h THR 10 Cb 1.24 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2jpt h THR 10 CO 0.13 0.06 -0.58 -0.07 0.37 0.00 0.00 175.52 175.44 2jpt h LEU 11 N 0.35 0.55 -0.35 2.58 3.38 -1.31 -2.20 115.31 118.31 2jpt h LEU 11 Ca 0.28 -0.30 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 2jpt h LEU 11 Cb 0.34 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2jpt h LEU 11 CO -0.30 1.01 -0.79 0.40 0.09 0.00 0.00 178.44 178.85 2jpt h ILE 12 N 0.37 1.40 0.38 1.22 2.04 -0.63 -2.96 117.51 119.32 2jpt h ILE 12 Ca 0.00 -2.26 -0.02 0.00 1.00 0.00 0.00 64.86 63.59 2jpt h ILE 12 Cb 1.12 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 2jpt h ILE 12 CO 0.10 0.67 -0.18 0.78 0.00 0.00 0.00 178.15 179.53 2jpt h ASN 13 N 0.24 -0.43 -0.99 1.72 -0.26 0.19 -0.39 115.58 115.67 2jpt h ASN 13 Ca -0.04 -0.14 0.18 0.00 -0.56 0.00 0.00 56.30 55.75 2jpt h ASN 13 Cb 1.38 0.11 -0.10 0.00 -1.06 0.00 0.00 38.32 38.65 2jpt h ASN 13 CO 0.13 -0.02 0.61 1.62 -1.06 0.00 0.00 177.43 178.72 2jpt h VAL 14 N -0.93 0.73 -0.19 2.81 3.04 -1.50 -0.41 116.25 119.80 2jpt h VAL 14 Ca -0.05 -0.25 -0.12 0.00 -1.01 0.00 0.00 66.70 65.26 2jpt h VAL 14 Cb 0.54 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.75 2jpt h VAL 14 CO 0.09 0.13 -0.35 0.15 -1.01 0.00 0.00 177.57 176.58 2jpt h PHE 15 N 0.74 0.72 -0.45 3.17 3.57 -1.50 -3.06 116.94 120.13 2jpt h PHE 15 Ca 0.55 -0.26 0.06 0.00 3.53 0.00 0.00 57.97 61.85 2jpt h PHE 15 Cb 0.89 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 2jpt h PHE 15 CO -0.00 1.00 0.30 1.25 -2.23 0.00 0.00 178.31 178.63 2jpt h HIS 16 N 0.24 0.37 -0.63 0.41 2.76 0.47 -0.72 115.15 118.06 2jpt h HIS 16 Ca 0.01 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2jpt h HIS 16 Cb 0.95 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.75 2jpt h HIS 16 CO 0.09 0.20 0.37 0.00 -1.30 0.00 0.00 177.93 177.29 2jpt h ALA 17 N 1.76 1.47 -3.00 5.26 0.00 -1.05 -3.38 119.26 120.31 2jpt h ALA 17 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jpt h ALA 17 Cb 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jpt h ALA 17 CO -0.05 0.46 0.00 0.72 0.00 0.00 0.00 179.25 180.38 2jpt n HIS 18 N -4.40 0.00 -5.23 0.00 -0.00 -0.28 -4.96 115.22 100.35 2jpt n HIS 18 Ca 0.06 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.47 2jpt n HIS 18 Cb 0.08 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.90 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 -1.40 3.05 -0.06 0.41 1.04 -1.21 -5.00 113.70 110.53 2jpt s SER 19 Ca 0.00 -0.53 -0.00 0.00 0.48 0.00 0.00 55.95 55.90 2jpt s SER 19 Cb 0.00 -1.14 -0.04 0.00 0.10 0.00 0.00 66.02 64.94 2jpt s SER 19 CO 0.00 0.20 -0.06 0.61 0.98 0.00 0.00 173.24 174.97 2jpt n GLY 20 N 3.26 -0.09 0.54 7.32 0.00 -1.26 -4.59 105.19 110.37 2jpt n GLY 20 Ca -0.18 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.77 1.68 -0.98 1.61 4.81 -1.26 -4.93 118.16 116.32 2jpt n LYS 21 Ca -0.11 -1.06 -0.39 0.00 -0.87 0.00 0.00 58.31 55.88 2jpt n LYS 21 Cb 0.61 -1.23 -0.10 0.00 0.02 0.00 0.00 35.03 34.34 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 0.36 0.00 -0.08 1.64 0.28 -1.26 -4.68 120.64 116.89 2jpt n GLU 22 Ca 0.10 0.00 0.26 0.00 -0.16 0.00 0.00 57.16 57.36 2jpt n GLU 22 Cb 0.25 -1.10 0.70 0.00 1.43 0.00 0.00 31.44 32.72 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 7.34 0.00 -5.74 -1.84 0.00 -2.00 -3.38 103.07 97.45 2jpt h GLY 23 Ca -0.06 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.62 2jpt h GLY 23 CO 0.87 0.00 -0.59 0.99 0.00 0.00 0.00 176.54 177.81 2jpt s ASP 24 N -5.04 5.44 0.49 0.19 1.01 -1.26 -5.06 116.67 112.43 2jpt s ASP 24 Ca -0.04 0.11 -0.14 0.00 0.71 0.00 0.00 52.55 53.19 2jpt s ASP 24 Cb 0.18 -1.78 -0.12 0.00 1.01 0.00 0.00 42.92 42.21 2jpt s ASP 24 CO 0.63 0.27 -0.23 0.29 0.21 0.00 0.00 175.17 176.33 2jpt n LYS 25 N 2.90 0.00 -1.62 8.23 5.02 -1.26 -4.60 118.16 126.82 2jpt n LYS 25 Ca -0.18 0.00 -0.55 0.00 -2.02 0.00 0.00 58.31 55.56 2jpt n LYS 25 Cb 0.53 -0.78 -0.07 0.00 -0.02 0.00 0.00 35.03 34.69 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 -1.37 1.60 -3.64 2.13 0.18 -1.26 -4.95 117.16 109.85 2jpt n TYR 26 Ca 0.04 0.67 -0.14 0.00 1.88 0.00 0.00 57.90 60.35 2jpt n TYR 26 Cb 0.39 -2.34 -0.07 0.00 -0.38 0.00 0.00 39.34 36.93 2jpt n TYR 26 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 2jpt s LYS 27 N 1.45 0.81 0.07 -3.48 2.20 -1.25 -4.60 119.74 114.94 2jpt s LYS 27 Ca 0.90 0.93 0.05 0.00 -0.36 0.00 0.00 55.97 57.50 2jpt s LYS 27 Cb -1.04 0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 35.64 2jpt s LYS 27 CO 0.55 -0.10 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.78 2jpt s LEU 28 N 0.31 2.26 0.45 5.43 1.43 0.21 -4.96 118.68 123.83 2jpt s LEU 28 Ca -0.00 -0.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.57 2jpt s LEU 28 Cb -0.05 -0.54 0.02 0.00 0.03 0.00 0.00 46.19 45.65 2jpt s LEU 28 CO 0.01 -0.05 0.63 -0.55 0.23 0.00 0.00 176.35 176.62 2jpt s SER 29 N -1.63 5.56 0.24 2.29 0.15 -1.26 0.20 113.70 119.25 2jpt s SER 29 Ca -0.01 -0.28 -0.05 0.00 0.70 0.00 0.00 55.95 56.31 2jpt s SER 29 Cb -0.10 -0.76 0.45 0.00 -1.71 0.00 0.00 66.02 63.91 2jpt s SER 29 CO 0.02 -0.86 1.71 0.07 1.20 0.00 0.00 173.24 175.38 2jpt h LYS 30 N 0.48 0.34 -0.04 5.44 2.10 -1.82 -1.76 116.57 121.32 2jpt h LYS 30 Ca -0.41 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.21 2jpt h LYS 30 Cb 1.28 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2jpt h LYS 30 CO 0.48 0.22 -0.01 0.87 -2.00 0.00 0.00 179.45 179.01 2jpt h LYS 31 N 0.35 0.07 -0.36 0.07 1.57 -1.93 -1.95 116.57 114.38 2jpt h LYS 31 Ca 0.41 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.23 2jpt h LYS 31 Cb 0.66 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.88 2jpt h LYS 31 CO -0.45 0.43 -0.41 0.93 -0.57 0.00 0.00 179.45 179.37 2jpt h GLU 32 N -0.29 -0.33 0.60 3.15 4.39 -1.74 1.73 114.58 122.08 2jpt h GLU 32 Ca 0.01 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 2jpt h GLU 32 Cb 0.41 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2jpt h GLU 32 CO 0.00 -0.22 -0.29 1.25 -1.16 0.00 0.00 179.01 178.60 2jpt h LEU 33 N -0.34 -0.68 -0.62 1.33 6.46 -1.40 1.48 115.31 121.54 2jpt h LEU 33 Ca 0.13 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.98 2jpt h LEU 33 Cb 0.58 0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 40.62 2jpt h LEU 33 CO -0.54 -0.46 0.28 0.50 -0.62 0.00 0.00 178.44 177.60 2jpt h LYS 34 N -0.84 0.49 -0.08 1.25 3.64 -0.92 -1.23 116.57 118.89 2jpt h LYS 34 Ca -0.08 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.13 2jpt h LYS 34 Cb 0.63 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2jpt h LYS 34 CO 0.13 0.32 -0.56 0.93 -2.27 0.00 0.00 179.45 178.01 2jpt h GLU 35 N 0.50 0.24 -0.13 1.90 4.39 0.28 -3.02 114.58 118.74 2jpt h GLU 35 Ca 0.30 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 59.89 2jpt h GLU 35 Cb 0.31 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.92 2jpt h GLU 35 CO -0.26 0.73 -0.43 1.25 -1.16 0.00 0.00 179.01 179.15 2jpt h LEU 36 N 0.18 -1.34 0.32 1.33 6.46 0.33 0.71 115.31 123.31 2jpt h LEU 36 Ca -0.00 0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 2jpt h LEU 36 Cb 1.04 0.54 0.00 0.00 -0.73 0.00 0.00 40.66 41.52 2jpt h LEU 36 CO 0.09 -0.43 -0.16 -0.07 -0.62 0.00 0.00 178.44 177.25 2jpt h LEU 37 N -0.50 -0.37 -0.72 2.25 4.07 -1.61 -2.47 115.31 115.97 2jpt h LEU 37 Ca 0.07 -0.18 0.16 0.00 0.08 0.00 0.00 57.88 58.02 2jpt h LEU 37 Cb 0.63 0.10 -0.12 0.00 1.08 0.00 0.00 40.66 42.35 2jpt h LEU 37 CO -0.40 0.05 0.09 1.56 -1.08 0.00 0.00 178.44 178.67 2jpt h GLN 38 N -0.88 0.18 -0.01 1.13 4.20 -1.41 1.85 115.11 120.16 2jpt h GLN 38 Ca -0.04 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2jpt h GLN 38 Cb 0.52 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2jpt h GLN 38 CO 0.07 0.12 -0.11 1.79 -0.67 0.00 0.00 178.83 180.03 2jpt h THR 39 N 0.18 1.08 0.00 -0.54 1.35 0.41 3.32 112.91 118.71 2jpt h THR 39 Ca 0.40 -0.39 -0.04 0.00 -0.55 0.00 0.00 66.41 65.83 2jpt h THR 39 Cb 0.69 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 2jpt h THR 39 CO -0.56 0.11 -0.25 -0.33 -0.25 0.00 0.00 175.52 174.24 2jpt h GLU 40 N 0.02 0.00 -0.53 4.72 3.07 0.17 -3.37 114.58 118.65 2jpt h GLU 40 Ca 0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.62 2jpt h GLU 40 Cb 0.20 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.96 2jpt h GLU 40 CO 0.01 0.76 0.13 1.47 -1.40 0.00 0.00 179.01 179.99 2jpt n LEU 41 N -4.61 4.90 -0.25 1.33 -0.00 0.54 -4.73 117.00 114.18 2jpt n LEU 41 Ca -0.12 -3.60 0.02 0.00 -0.00 0.00 0.00 56.01 52.31 2jpt n LEU 41 Cb 0.42 -0.68 0.10 0.00 -0.00 0.00 0.00 43.42 43.25 2jpt n LEU 41 CO 0.24 1.10 0.74 -1.28 -0.00 0.00 0.00 177.39 178.19 2jpt h SER 42 N 1.25 -0.60 0.18 1.45 0.87 0.60 0.80 113.55 118.10 2jpt h SER 42 Ca 0.30 0.21 -0.27 0.00 -1.23 0.00 0.00 61.79 60.80 2jpt h SER 42 Cb 1.98 0.43 0.02 0.00 -0.44 0.00 0.00 62.40 64.39 2jpt h SER 42 CO 0.57 -0.23 -1.12 1.23 -0.53 0.00 0.00 176.83 176.75 2jpt h GLY 43 N 0.02 0.64 0.62 5.77 0.00 -1.85 -3.26 103.07 105.01 2jpt h GLY 43 Ca 0.36 -1.24 -0.03 0.00 0.00 0.00 0.00 47.33 46.42 2jpt h GLY 43 CO -0.73 1.09 -0.30 -2.75 0.00 0.00 0.00 176.54 173.86 2jpt h PHE 44 N 0.29 -0.77 0.00 5.60 3.04 -1.51 -2.87 116.94 120.72 2jpt h PHE 44 Ca -0.14 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.79 2jpt h PHE 44 Cb 1.78 0.25 0.00 0.00 2.56 0.00 0.00 35.95 40.55 2jpt h PHE 44 CO 0.09 -0.48 0.37 1.37 -2.02 0.00 0.00 178.31 177.65 2jpt h LEU 45 N -1.19 0.00 -2.00 0.59 -0.00 0.39 0.26 115.31 113.36 2jpt h LEU 45 Ca -0.08 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 57.91 2jpt h LEU 45 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.28 2jpt h LEU 45 CO 0.14 0.00 0.29 -0.78 -0.00 0.00 0.00 178.44 178.09 2jpt h ASP 46 N 0.00 0.00 1.81 0.17 3.58 -1.54 0.58 116.42 121.02 2jpt h ASP 46 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jpt h ASP 46 Cb 0.74 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2jpt h ASP 46 CO 0.00 0.00 -0.07 0.00 -2.88 0.00 0.00 179.24 176.29 2jpt h ALA 47 N 1.80 0.96 0.00 -0.78 0.00 -0.65 -3.22 119.26 117.37 2jpt h ALA 47 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2jpt h ALA 47 Cb 0.77 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2jpt h ALA 47 CO -0.00 0.00 -1.20 1.96 0.00 0.00 0.00 179.25 180.00 2jpt h GLN 48 N 0.00 0.00 -1.51 0.00 4.20 -0.06 -3.35 115.11 114.38 2jpt h GLN 48 Ca 0.00 0.00 0.45 0.00 0.06 0.00 0.00 58.65 59.16 2jpt h GLN 48 Cb 0.94 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.64 2jpt h GLN 48 CO 0.00 0.23 1.06 0.87 -0.67 0.00 0.00 178.83 180.32 2jpt h LYS 49 N 0.00 0.04 0.00 1.46 1.79 -1.05 2.17 116.57 120.98 2jpt h LYS 49 Ca -0.11 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 2jpt h LYS 49 Cb 1.41 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.05 2jpt h LYS 49 CO 0.04 0.03 -0.05 0.22 -1.08 0.00 0.00 179.45 178.60 2jpt h ASP 50 N 0.05 0.00 -3.31 0.86 3.58 -1.79 -3.40 116.42 112.40 2jpt h ASP 50 Ca 0.77 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 57.64 2jpt h ASP 50 Cb 2.87 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 43.83 2jpt h ASP 50 CO -0.12 0.05 -0.22 0.00 -2.88 0.00 0.00 179.24 176.07 2jpt s ALA 51 N -4.73 3.53 0.11 -0.78 0.00 0.73 -4.95 121.76 115.67 2jpt s ALA 51 Ca -0.05 -0.31 0.34 0.00 0.00 0.00 0.00 51.96 51.95 2jpt s ALA 51 Cb 0.16 -2.53 1.45 0.00 0.00 0.00 0.00 23.12 22.20 2jpt s ALA 51 CO 0.62 0.04 2.00 -0.44 0.00 0.00 0.00 175.76 177.99 2jpt h ASP 52 N 6.70 0.00 -0.91 0.00 3.32 -1.81 -2.97 116.42 120.75 2jpt h ASP 52 Ca -0.41 0.00 0.22 0.00 0.02 0.00 0.00 57.03 56.86 2jpt h ASP 52 Cb 1.17 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.66 2jpt h ASP 52 CO 0.76 0.00 0.61 0.00 -1.72 0.00 0.00 179.24 178.89 2jpt h ALA 53 N 2.02 2.36 -0.73 3.45 0.00 -1.92 0.59 119.26 125.04 2jpt h ALA 53 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.06 2jpt h ALA 53 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 2jpt h ALA 53 CO 0.00 -0.65 0.27 -0.39 0.00 0.00 0.00 179.25 178.48 2jpt h VAL 54 N 0.30 0.65 0.00 0.00 -1.51 -1.82 0.32 116.25 114.20 2jpt h VAL 54 Ca 0.47 -0.14 -0.06 0.00 -1.23 0.00 0.00 66.70 65.74 2jpt h VAL 54 Cb 1.33 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 2jpt h VAL 54 CO -0.15 0.08 -0.28 -0.78 -1.23 0.00 0.00 177.57 175.21 2jpt h ASP 55 N 0.42 0.00 -0.75 4.19 1.82 -1.11 -2.94 116.42 118.04 2jpt h ASP 55 Ca 0.40 0.00 0.16 0.00 -0.39 0.00 0.00 57.03 57.20 2jpt h ASP 55 Cb 0.60 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.51 2jpt h ASP 55 CO -0.40 0.28 0.23 0.50 -1.61 0.00 0.00 179.24 178.23 2jpt h LYS 56 N 0.00 0.31 -0.02 0.28 3.64 -0.25 0.15 116.57 120.68 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 0.51 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2jpt h LYS 56 CO 0.04 0.21 -0.78 -0.39 -2.27 0.00 0.00 179.45 176.25 2jpt h VAL 57 N 0.32 1.45 -0.58 2.00 -1.51 -1.50 -3.11 116.25 113.32 2jpt h VAL 57 Ca 0.43 -2.38 0.03 0.00 -1.23 0.00 0.00 66.70 63.54 2jpt h VAL 57 Cb 0.72 2.29 -0.03 0.00 -2.13 0.00 0.00 31.29 32.14 2jpt h VAL 57 CO -0.49 0.70 0.38 0.24 -1.23 0.00 0.00 177.57 177.17 2jpt h MET 58 N 0.14 0.67 -0.74 5.19 2.86 -0.71 -0.97 114.93 121.36 2jpt h MET 58 Ca -0.03 -0.04 0.20 0.00 -2.06 0.00 0.00 59.70 57.77 2jpt h MET 58 Cb 1.36 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.84 2jpt h MET 58 CO 0.12 0.44 0.53 -0.22 1.06 0.00 0.00 176.91 178.84 2jpt h LYS 59 N 0.69 0.07 0.47 1.72 3.64 -1.06 1.16 116.57 123.25 2jpt h LYS 59 Ca 0.23 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2jpt h LYS 59 Cb 0.06 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2jpt h LYS 59 CO -0.06 0.04 -0.23 0.93 -2.27 0.00 0.00 179.45 177.87 2jpt h GLU 60 N 0.07 -0.61 0.00 1.90 5.08 -1.33 -2.90 114.58 116.79 2jpt h GLU 60 Ca 0.36 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 2jpt h GLU 60 Cb 1.32 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 2jpt h GLU 60 CO -0.03 -0.41 -0.21 1.37 -1.00 0.00 0.00 179.01 178.73 2jpt h LEU 61 N -0.96 0.00 -0.49 1.33 8.10 -1.49 -2.95 115.31 118.86 2jpt h LEU 61 Ca -0.06 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.95 2jpt h LEU 61 Cb 0.49 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.67 2jpt h LEU 61 CO 0.11 0.21 0.29 -0.78 -4.11 0.00 0.00 178.44 174.16 2jpt h ASP 62 N 0.00 0.48 -0.77 0.17 3.58 0.13 -0.71 116.42 119.30 2jpt h ASP 62 Ca -0.00 0.00 0.22 0.00 0.42 0.00 0.00 57.03 57.67 2jpt h ASP 62 Cb 0.58 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2jpt h ASP 62 CO 0.03 0.34 0.68 -0.08 -2.88 0.00 0.00 179.24 177.33 2jpt h GLU 63 N 0.59 0.00 -0.90 0.28 4.81 -1.33 1.25 114.58 119.28 2jpt h GLU 63 Ca 0.19 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 2jpt h GLU 63 Cb 0.01 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 2jpt h GLU 63 CO -0.08 0.00 0.13 -0.25 -0.73 0.00 0.00 179.01 178.07 2jpt n ASP 64 N -3.86 3.17 -0.18 1.04 8.00 -0.27 -4.60 116.55 119.84 2jpt n ASP 64 Ca 0.16 -2.53 0.08 0.00 0.71 0.00 0.00 54.79 53.21 2jpt n ASP 64 Cb 0.96 -0.61 0.16 0.00 -0.02 0.00 0.00 41.12 41.61 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 0.06 -0.71 0.00 0.44 0.00 0.43 0.15 105.19 105.55 2jpt n GLY 65 Ca 0.18 0.52 0.04 0.00 0.00 0.00 0.00 46.02 46.76 2jpt n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jpt n ASP 66 N -4.63 0.50 -2.76 1.61 2.03 -1.26 -4.97 116.55 107.07 2jpt n ASP 66 Ca 0.13 -0.69 -0.08 0.00 0.52 0.00 0.00 54.79 54.67 2jpt n ASP 66 Cb 0.41 1.01 0.04 0.00 -0.72 0.00 0.00 41.12 41.87 2jpt n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jpt n GLY 67 N 1.23 0.41 1.69 0.27 0.00 0.40 -5.01 105.19 104.19 2jpt n GLY 67 Ca 0.02 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.62 0.70 -3.86 1.61 0.28 -1.26 -3.23 120.64 113.24 2jpt n GLU 68 Ca 0.05 -1.74 -0.12 0.00 -0.16 0.00 0.00 57.16 55.19 2jpt n GLU 68 Cb 0.18 1.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.92 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 -2.36 0.00 0.00 3.84 0.11 0.52 -4.79 120.40 117.73 2jpt s VAL 69 Ca 0.12 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 2jpt s VAL 69 Cb 0.01 -0.08 0.00 0.00 -1.53 0.00 0.00 36.38 34.78 2jpt s VAL 69 CO 0.08 -0.02 0.00 -0.67 -3.33 0.00 0.00 175.10 171.16 2jpt n ASP 70 N 2.99 0.00 0.00 3.54 2.03 -1.26 0.54 116.55 124.39 2jpt n ASP 70 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 2jpt n ASP 70 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 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 -1.65 -0.26 -0.67 7.35 -1.26 0.68 117.46 121.65 2jpt n PHE 71 Ca 0.00 0.00 0.22 0.00 -0.76 0.00 0.00 57.45 56.91 2jpt n PHE 71 Cb 0.00 0.36 0.54 0.00 0.35 0.00 0.00 39.48 40.73 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 0.33 -0.32 -4.13 7.50 -1.95 0.79 115.11 117.33 2jpt h GLN 72 Ca 0.00 -0.02 0.09 0.00 0.50 0.00 0.00 58.65 59.22 2jpt h GLN 72 Cb 0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 2jpt h GLN 72 CO 0.00 0.22 0.65 0.93 -1.50 0.00 0.00 178.83 179.13 2jpt h GLU 73 N 0.34 0.00 0.00 1.46 5.08 -1.97 0.27 114.58 119.77 2jpt h GLU 73 Ca 0.51 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.79 2jpt h GLU 73 Cb 1.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 2jpt h GLU 73 CO -0.18 0.00 -0.34 0.10 -1.00 0.00 0.00 179.01 177.59 2jpt h TYR 74 N 0.00 0.00 0.03 4.33 -0.00 -1.23 -3.31 116.97 116.79 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 1.44 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 38.12 2jpt h TYR 74 CO 0.00 0.34 -0.51 -0.39 -0.00 0.00 0.00 178.16 177.60 2jpt h VAL 75 N 0.00 0.00 -0.90 -0.90 -1.51 -0.64 -1.21 116.25 111.09 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 0.79 0.00 -0.07 0.00 -2.13 0.00 0.00 31.29 29.88 2jpt h VAL 75 CO 0.04 0.00 0.58 1.62 -1.23 0.00 0.00 177.57 178.58 2jpt h VAL 76 N -0.66 0.82 -1.00 7.19 3.04 -1.76 0.15 116.25 124.03 2jpt h VAL 76 Ca 0.01 -0.24 0.19 0.00 -1.01 0.00 0.00 66.70 65.64 2jpt h VAL 76 Cb 0.70 0.07 -0.10 0.00 -2.01 0.00 0.00 31.29 29.95 2jpt h VAL 76 CO -0.33 0.13 0.61 0.25 -1.01 0.00 0.00 177.57 177.23 2jpt h LEU 77 N 0.69 0.76 -1.28 3.16 5.85 -1.34 0.91 115.31 124.06 2jpt h LEU 77 Ca 0.46 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 59.20 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 -0.22 0.29 -0.16 0.58 -0.34 0.00 0.00 178.44 178.59 2jpt h VAL 78 N 0.75 1.21 -0.48 1.05 2.07 -0.35 -2.72 116.25 117.77 2jpt h VAL 78 Ca 0.56 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2jpt h VAL 78 Cb 0.89 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2jpt h VAL 78 CO -0.35 0.29 0.09 0.00 0.02 0.00 0.00 177.57 177.62 2jpt h ALA 79 N 1.57 0.64 -0.82 1.67 0.00 0.99 -0.26 119.26 123.05 2jpt h ALA 79 Ca 0.05 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 54.90 2jpt h ALA 79 Cb 0.45 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 2jpt h ALA 79 CO 0.03 0.36 0.36 0.00 0.00 0.00 0.00 179.25 180.00 2jpt h ALA 80 N 0.97 1.23 0.01 0.00 0.00 -0.94 0.27 119.26 120.79 2jpt h ALA 80 Ca 0.15 0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.99 2jpt h ALA 80 Cb 0.37 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2jpt h ALA 80 CO 0.01 -0.22 -0.87 1.25 0.00 0.00 0.00 179.25 179.42 2jpt h LEU 81 N 0.48 0.18 0.54 0.00 6.46 -1.52 -3.08 115.31 118.37 2jpt h LEU 81 Ca 0.47 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 58.06 2jpt h LEU 81 Cb 0.76 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 2jpt h LEU 81 CO -0.43 0.96 -0.42 0.74 -0.62 0.00 0.00 178.44 178.67 2jpt h THR 82 N 0.07 0.00 -0.95 1.05 2.02 0.13 -0.62 112.91 114.61 2jpt h THR 82 Ca -0.03 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.25 2jpt h THR 82 Cb 1.51 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.84 2jpt h THR 82 CO 0.13 0.00 0.61 1.62 0.37 0.00 0.00 175.52 178.25 2jpt h VAL 83 N -0.92 0.96 0.04 3.16 3.04 -1.25 0.40 116.25 121.67 2jpt h VAL 83 Ca -0.07 -0.33 0.02 0.00 -1.01 0.00 0.00 66.70 65.31 2jpt h VAL 83 Cb 0.77 -0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 29.94 2jpt h VAL 83 CO 0.02 0.18 -0.14 0.00 -1.01 0.00 0.00 177.57 176.61 2jpt h ALA 84 N 1.54 -0.19 -0.37 3.17 0.00 -1.37 0.20 119.26 122.23 2jpt h ALA 84 Ca 0.45 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.20 2jpt h ALA 84 Cb 0.43 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2jpt h ALA 84 CO -0.21 -0.64 -0.39 0.00 0.00 0.00 0.00 179.25 178.01 2jpt h ASN 86 N 0.73 1.11 0.02 0.00 -1.24 0.10 -0.97 115.58 115.33 2jpt h ASN 86 Ca 0.06 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 2jpt h ASN 86 Cb 0.97 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.75 2jpt h ASN 86 CO 0.09 0.77 -0.06 0.78 -1.29 0.00 0.00 177.43 177.72 2jpt h ASN 87 N 1.29 0.10 -0.30 1.15 2.35 -0.51 -1.84 115.58 117.83 2jpt h ASN 87 Ca 0.40 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 56.07 2jpt h ASN 87 Cb -0.03 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2jpt h ASN 87 CO -0.12 0.18 -0.06 0.15 -1.65 0.00 0.00 177.43 175.93 2jpt h PHE 88 N 0.11 0.65 -0.00 1.19 3.57 -1.13 -3.23 116.94 118.10 2jpt h PHE 88 Ca 0.03 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 2jpt h PHE 88 Cb 0.18 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 2jpt h PHE 88 CO 0.00 0.76 0.00 0.74 -2.23 0.00 0.00 178.31 177.58 2jpt h PHE 89 N 0.35 0.00 -6.18 0.41 -1.00 -1.17 -3.45 116.94 105.91 2jpt h PHE 89 Ca 0.08 -0.00 -0.48 0.00 2.81 0.00 0.00 57.97 60.38 2jpt h PHE 89 Cb 0.54 -0.00 0.05 0.00 3.61 0.00 0.00 35.95 40.16 2jpt h PHE 89 CO 0.05 0.24 0.01 0.91 -1.61 0.00 0.00 178.31 177.91 2jpt n TRP 90 N -4.97 -2.55 0.00 -0.55 5.03 -0.73 -5.09 117.44 108.57 2jpt n TRP 90 Ca -0.08 -1.98 0.00 0.00 3.03 0.00 0.00 57.50 58.47 2jpt n TRP 90 Cb 0.14 -0.63 0.00 0.00 -1.03 0.00 0.00 31.31 29.79 2jpt n TRP 90 CO 0.00 0.00 0.00 -0.85 -0.03 0.00 0.00 177.69 176.81 2jpt n GLU 91 N -2.51 0.00 -3.43 -0.99 0.28 -1.26 -4.72 120.64 108.01 2jpt n GLU 91 Ca 0.17 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.99 2jpt n GLU 91 Cb 0.60 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.56 2jpt n GLU 91 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2jpt n ASN 92 N 0.00 -2.29 0.00 -1.84 5.15 -1.26 -5.13 115.26 109.89 2jpt n ASN 92 Ca 0.00 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.35 2jpt n ASN 92 Cb 0.00 -5.09 0.00 0.00 -0.53 0.00 0.00 39.78 34.16 2jpt n ASN 92 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12