#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 -2.47 0.23 1.61 3.41 -1.26 -4.93 113.62 110.21 2jpt n SER 2 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 2jpt n SER 2 Cb 0.00 -0.41 0.48 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.36 0.00 0.05 4.33 4.39 -2.07 -3.15 114.58 118.49 2jpt h GLU 3 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jpt h GLU 3 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2jpt h GLU 3 CO 0.00 0.20 -0.02 -0.07 -1.16 0.00 0.00 179.01 177.96 2jpt h LEU 4 N 0.00 -0.05 -1.80 1.33 -0.00 -2.00 -3.13 115.31 109.66 2jpt h LEU 4 Ca -0.00 -0.56 0.23 0.00 -0.00 0.00 0.00 57.88 57.55 2jpt h LEU 4 Cb 0.72 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.35 2jpt h LEU 4 CO 0.03 0.57 0.61 -0.33 -0.00 0.00 0.00 178.44 179.32 2jpt h GLU 5 N -0.71 0.15 -0.27 1.13 5.08 -1.97 0.16 114.58 118.16 2jpt h GLU 5 Ca -0.01 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2jpt h GLU 5 Cb 0.61 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2jpt h GLU 5 CO 0.01 0.10 0.04 1.15 -1.00 0.00 0.00 179.01 179.32 2jpt h THR 6 N 0.16 1.23 -0.08 1.13 2.02 -1.51 -2.98 112.91 112.88 2jpt h THR 6 Ca 0.44 -0.78 -0.15 0.00 0.77 0.00 0.00 66.41 66.69 2jpt h THR 6 Cb 1.47 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 2jpt h THR 6 CO -0.08 0.25 -0.62 0.00 0.37 0.00 0.00 175.52 175.45 2jpt h ALA 7 N 0.86 0.81 -0.75 6.16 0.00 -0.81 -3.06 119.26 122.46 2jpt h ALA 7 Ca 0.08 -0.55 0.13 0.00 0.00 0.00 0.00 54.91 54.57 2jpt h ALA 7 Cb 0.33 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 2jpt h ALA 7 CO 0.01 0.73 0.33 0.52 0.00 0.00 0.00 179.25 180.84 2jpt h MET 8 N 0.20 0.48 -0.17 0.00 2.07 -0.66 -0.93 114.93 115.92 2jpt h MET 8 Ca -0.01 -0.03 -0.19 0.00 -2.07 0.00 0.00 59.70 57.41 2jpt h MET 8 Cb 1.13 -0.11 -0.00 0.00 -1.87 0.00 0.00 31.60 30.75 2jpt h MET 8 CO 0.10 0.32 -0.65 0.93 1.07 0.00 0.00 176.91 178.68 2jpt h GLU 9 N 0.50 0.65 -0.31 1.72 5.08 -1.51 -2.81 114.58 117.90 2jpt h GLU 9 Ca 0.41 -0.47 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2jpt h GLU 9 Cb 0.58 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 2jpt h GLU 9 CO -0.37 1.09 -0.05 1.15 -1.00 0.00 0.00 179.01 179.82 2jpt h THR 10 N 0.47 0.72 -0.11 1.13 2.02 -1.10 0.91 112.91 116.95 2jpt h THR 10 Ca -0.02 -0.01 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 2jpt h THR 10 Cb 1.24 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2jpt h THR 10 CO 0.13 0.00 -0.33 -0.07 0.37 0.00 0.00 175.52 175.62 2jpt h LEU 11 N 0.02 0.21 -0.01 2.58 3.38 -1.39 -2.47 115.31 117.64 2jpt h LEU 11 Ca 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2jpt h LEU 11 Cb 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2jpt h LEU 11 CO -0.30 0.53 -0.07 0.40 0.09 0.00 0.00 178.44 179.09 2jpt h ILE 12 N 0.18 1.55 0.26 1.22 2.04 -0.96 -2.99 117.51 118.81 2jpt h ILE 12 Ca 0.02 -1.72 0.01 0.00 1.00 0.00 0.00 64.86 64.17 2jpt h ILE 12 Cb 0.67 2.68 -0.03 0.00 -0.74 0.00 0.00 36.82 39.40 2jpt h ILE 12 CO 0.05 0.46 -0.39 0.78 0.00 0.00 0.00 178.15 179.05 2jpt h ASN 13 N -0.62 -1.10 -0.95 1.72 2.35 0.83 0.40 115.58 118.20 2jpt h ASN 13 Ca -0.01 0.11 0.19 0.00 -0.55 0.00 0.00 56.30 56.05 2jpt h ASN 13 Cb 0.79 0.39 -0.08 0.00 0.05 0.00 0.00 38.32 39.47 2jpt h ASN 13 CO 0.01 -0.50 0.61 1.62 -1.65 0.00 0.00 177.43 177.52 2jpt h VAL 14 N -0.71 0.70 0.21 2.81 3.04 -1.57 -1.40 116.25 119.34 2jpt h VAL 14 Ca -0.00 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 2jpt h VAL 14 Cb 0.68 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.04 2jpt h VAL 14 CO -0.15 0.11 -0.10 0.15 -1.01 0.00 0.00 177.57 176.57 2jpt h PHE 15 N 0.58 -0.26 -0.90 3.17 3.57 -1.16 -3.14 116.94 118.80 2jpt h PHE 15 Ca 0.51 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 62.27 2jpt h PHE 15 Cb 1.03 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 2jpt h PHE 15 CO -0.00 0.12 0.76 1.25 -2.23 0.00 0.00 178.31 178.20 2jpt h HIS 16 N -0.90 0.00 -0.15 0.41 2.76 0.34 0.83 115.15 118.44 2jpt h HIS 16 Ca -0.03 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 57.99 2jpt h HIS 16 Cb 0.50 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 2jpt h HIS 16 CO 0.07 0.00 -0.54 0.00 -1.30 0.00 0.00 177.93 176.15 2jpt h ALA 17 N 1.33 0.77 -3.00 5.26 0.00 -1.23 -3.40 119.26 118.99 2jpt h ALA 17 Ca 0.43 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jpt h ALA 17 Cb 1.94 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2jpt h ALA 17 CO -0.00 0.69 0.00 0.72 0.00 0.00 0.00 179.25 180.65 2jpt n HIS 18 N -3.95 0.00 -4.08 0.00 -0.00 0.29 -4.93 115.22 102.54 2jpt n HIS 18 Ca -0.03 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.37 2jpt n HIS 18 Cb 0.59 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.43 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 -1.24 3.76 0.00 0.41 0.01 -1.19 -4.94 113.70 110.51 2jpt s SER 19 Ca 0.00 -1.02 0.06 0.00 1.31 0.00 0.00 55.95 56.30 2jpt s SER 19 Cb 0.00 -1.49 0.01 0.00 0.21 0.00 0.00 66.02 64.76 2jpt s SER 19 CO 0.00 -0.10 0.53 0.61 0.41 0.00 0.00 173.24 174.69 2jpt n GLY 20 N 4.54 -0.43 0.73 3.44 0.00 -1.26 -4.48 105.19 107.73 2jpt n GLY 20 Ca -0.17 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.15 2.01 -1.08 1.61 4.81 -1.26 -4.79 118.16 119.30 2jpt n LYS 21 Ca 0.03 -1.47 -0.25 0.00 -0.87 0.00 0.00 58.31 55.75 2jpt n LYS 21 Cb 0.12 -1.47 -0.11 0.00 0.02 0.00 0.00 35.03 33.60 2jpt n LYS 21 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2jpt n GLU 22 N 0.77 0.04 0.27 1.64 1.02 -1.26 -4.56 120.64 118.57 2jpt n GLU 22 Ca 0.17 -1.25 0.18 0.00 -0.02 0.00 0.00 57.16 56.23 2jpt n GLU 22 Cb 0.47 -3.08 0.80 0.00 -0.02 0.00 0.00 31.44 29.61 2jpt n GLU 22 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2jpt h GLY 23 N 19.37 0.00 -2.70 0.62 0.00 -1.99 -3.43 103.07 114.94 2jpt h GLY 23 Ca 0.11 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.92 2jpt h GLY 23 CO 1.41 0.00 -0.54 0.99 0.00 0.00 0.00 176.54 178.40 2jpt s ASP 24 N -5.36 5.17 0.00 0.19 1.01 -1.26 -5.02 116.67 111.40 2jpt s ASP 24 Ca -0.00 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.82 2jpt s ASP 24 Cb 0.10 -1.13 0.00 0.00 1.01 0.00 0.00 42.92 42.90 2jpt s ASP 24 CO 0.48 -0.11 0.00 0.29 0.21 0.00 0.00 175.17 176.05 2jpt n LYS 25 N -1.14 0.00 -3.56 8.23 5.02 -1.26 -4.85 118.16 120.60 2jpt n LYS 25 Ca -0.06 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.84 2jpt n LYS 25 Cb 0.59 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.49 2jpt n LYS 25 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jpt s TYR 26 N 0.00 3.22 0.02 2.13 1.13 -1.26 -5.05 117.35 117.55 2jpt s TYR 26 Ca 0.00 -0.08 -0.00 0.00 -1.41 0.00 0.00 57.07 55.57 2jpt s TYR 26 Cb 0.00 -2.44 -0.02 0.00 -1.10 0.00 0.00 41.96 38.40 2jpt s TYR 26 CO 0.00 -0.28 -0.02 0.15 -2.51 0.00 0.00 175.55 172.88 2jpt s LYS 27 N 1.74 0.36 -0.04 -3.49 1.02 -1.26 -4.65 119.74 113.42 2jpt s LYS 27 Ca 0.06 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.36 2jpt s LYS 27 Cb -0.17 0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.29 2jpt s LYS 27 CO 0.11 -0.06 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.94 2jpt s LEU 28 N -1.69 1.24 0.88 3.17 1.43 -0.94 -5.03 118.68 117.73 2jpt s LEU 28 Ca -0.12 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 2jpt s LEU 28 Cb -0.07 -0.37 0.12 0.00 0.03 0.00 0.00 46.19 45.90 2jpt s LEU 28 CO -0.02 -0.08 1.09 -0.44 0.23 0.00 0.00 176.35 177.13 2jpt s SER 29 N 0.99 3.60 0.24 2.29 0.01 -1.26 -0.51 113.70 119.06 2jpt s SER 29 Ca -0.10 1.60 -0.05 0.00 1.31 0.00 0.00 55.95 58.71 2jpt s SER 29 Cb -0.14 -2.27 0.45 0.00 0.21 0.00 0.00 66.02 64.27 2jpt s SER 29 CO -0.01 -2.57 1.71 0.07 0.41 0.00 0.00 173.24 172.85 2jpt h LYS 30 N -1.50 0.35 -0.04 12.44 2.10 -1.82 -1.34 116.57 126.76 2jpt h LYS 30 Ca -0.48 -0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.16 2jpt h LYS 30 Cb 1.27 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2jpt h LYS 30 CO 0.53 0.23 -0.02 0.87 -2.00 0.00 0.00 179.45 179.07 2jpt h LYS 31 N 0.36 -0.01 -0.68 0.07 1.57 -1.91 0.25 116.57 116.22 2jpt h LYS 31 Ca 0.41 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.34 2jpt h LYS 31 Cb 0.65 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.85 2jpt h LYS 31 CO -0.44 -0.01 0.02 0.93 -0.57 0.00 0.00 179.45 179.38 2jpt h GLU 32 N -0.01 0.13 0.22 3.15 3.07 -1.60 1.06 114.58 120.59 2jpt h GLU 32 Ca 0.02 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2jpt h GLU 32 Cb 0.04 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 2jpt h GLU 32 CO -0.05 0.08 -0.10 1.25 -1.40 0.00 0.00 179.01 178.79 2jpt h LEU 33 N 0.13 -0.25 -0.93 1.33 6.46 -1.14 -0.52 115.31 120.40 2jpt h LEU 33 Ca 0.37 -0.25 0.20 0.00 -0.12 0.00 0.00 57.88 58.07 2jpt h LEU 33 Cb 0.62 0.06 -0.11 0.00 -0.73 0.00 0.00 40.66 40.50 2jpt h LEU 33 CO -0.58 0.28 0.49 0.50 -0.62 0.00 0.00 178.44 178.51 2jpt h LYS 34 N -0.94 0.56 -0.06 1.25 3.64 -0.12 0.21 116.57 121.11 2jpt h LYS 34 Ca -0.03 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.16 2jpt h LYS 34 Cb 0.48 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2jpt h LYS 34 CO 0.05 0.37 -0.64 0.93 -2.27 0.00 0.00 179.45 177.89 2jpt h GLU 35 N 0.58 0.24 -0.14 1.90 4.39 0.11 -3.11 114.58 118.54 2jpt h GLU 35 Ca 0.55 -0.17 0.04 0.00 0.34 0.00 0.00 59.36 60.12 2jpt h GLU 35 Cb 0.94 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.55 2jpt h GLU 35 CO -0.44 0.79 -0.43 1.25 -1.16 0.00 0.00 179.01 179.02 2jpt h LEU 36 N 0.17 -1.35 0.33 1.33 6.46 0.11 0.61 115.31 122.98 2jpt h LEU 36 Ca -0.01 0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 2jpt h LEU 36 Cb 1.16 0.55 0.00 0.00 -0.73 0.00 0.00 40.66 41.64 2jpt h LEU 36 CO 0.10 -0.43 -0.16 -0.07 -0.62 0.00 0.00 178.44 177.26 2jpt h LEU 37 N -0.49 -0.38 -0.64 2.25 4.07 -1.63 -2.47 115.31 116.01 2jpt h LEU 37 Ca 0.07 -0.17 0.14 0.00 0.08 0.00 0.00 57.88 58.00 2jpt h LEU 37 Cb 0.63 0.10 -0.11 0.00 1.08 0.00 0.00 40.66 42.35 2jpt h LEU 37 CO -0.41 0.04 -0.05 1.56 -1.08 0.00 0.00 178.44 178.50 2jpt h GLN 38 N -0.88 0.07 0.00 1.13 4.20 -1.46 1.79 115.11 119.96 2jpt h GLN 38 Ca -0.05 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2jpt h GLN 38 Cb 0.53 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 2jpt h GLN 38 CO 0.08 0.05 -0.03 1.79 -0.67 0.00 0.00 178.83 180.05 2jpt h THR 39 N 0.08 1.02 0.00 -0.54 1.35 0.19 3.47 112.91 118.48 2jpt h THR 39 Ca 0.33 -0.10 -0.04 0.00 -0.55 0.00 0.00 66.41 66.05 2jpt h THR 39 Cb 0.54 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 2jpt h THR 39 CO -0.59 0.03 -0.25 -0.33 -0.25 0.00 0.00 175.52 174.12 2jpt h GLU 40 N 0.00 0.00 -0.53 4.72 3.07 0.15 -3.38 114.58 118.61 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 0.05 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.82 2jpt h GLU 40 CO 0.00 0.75 0.14 1.47 -1.40 0.00 0.00 179.01 179.98 2jpt n LEU 41 N -4.61 4.92 -0.24 1.33 -0.00 0.52 -4.71 117.00 114.22 2jpt n LEU 41 Ca -0.12 -3.59 0.04 0.00 -0.00 0.00 0.00 56.01 52.34 2jpt n LEU 41 Cb 0.41 -0.68 0.15 0.00 -0.00 0.00 0.00 43.42 43.30 2jpt n LEU 41 CO 0.24 1.09 0.86 0.28 -0.00 0.00 0.00 177.39 179.85 2jpt h SER 42 N 1.27 -0.23 0.47 1.45 0.02 0.64 1.28 113.55 118.45 2jpt h SER 42 Ca 0.30 0.17 -0.24 0.00 -0.84 0.00 0.00 61.79 61.18 2jpt h SER 42 Cb 1.99 0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.82 2jpt h SER 42 CO 0.58 -0.12 -1.03 1.23 -1.14 0.00 0.00 176.83 176.34 2jpt h GLY 43 N 0.15 0.37 0.30 -3.77 0.00 -1.84 -3.31 103.07 94.97 2jpt h GLY 43 Ca 0.39 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2jpt h GLY 43 CO -0.58 0.65 -0.10 -2.75 0.00 0.00 0.00 176.54 173.76 2jpt h PHE 44 N 0.16 -0.25 0.00 5.60 3.04 -1.44 -3.16 116.94 120.89 2jpt h PHE 44 Ca -0.09 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.85 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 0.07 0.32 1.47 -2.02 0.00 0.00 178.31 178.20 2jpt n LEU 45 N -4.95 0.17 0.17 0.59 -0.00 0.42 -0.05 117.00 113.35 2jpt n LEU 45 Ca -0.06 0.40 0.14 0.00 -0.00 0.00 0.00 56.01 56.48 2jpt n LEU 45 Cb 0.22 -0.35 0.69 0.00 -0.00 0.00 0.00 43.42 43.98 2jpt n LEU 45 CO 0.19 -0.46 1.12 -0.78 -0.00 0.00 0.00 177.39 177.47 2jpt h ASP 46 N 0.00 0.00 1.17 1.45 1.82 -1.63 0.13 116.42 119.35 2jpt h ASP 46 Ca 0.00 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.48 2jpt h ASP 46 Cb 0.64 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.62 2jpt h ASP 46 CO 0.00 0.00 -0.86 0.00 -1.61 0.00 0.00 179.24 176.77 2jpt h ALA 47 N 1.88 0.56 0.00 -0.78 0.00 -0.68 -3.22 119.26 117.02 2jpt h ALA 47 Ca 0.10 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 2jpt h ALA 47 Cb 0.40 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jpt h ALA 47 CO -0.00 0.95 -0.12 1.96 0.00 0.00 0.00 179.25 182.03 2jpt h GLN 48 N 0.00 0.00 -1.02 0.00 4.20 -0.90 -3.13 115.11 114.27 2jpt h GLN 48 Ca -0.04 0.00 0.30 0.00 0.06 0.00 0.00 58.65 58.97 2jpt h GLN 48 Cb 1.59 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.33 2jpt h GLN 48 CO 0.09 0.12 1.03 0.87 -0.67 0.00 0.00 178.83 180.27 2jpt h LYS 49 N 0.00 0.00 -0.39 1.46 1.79 -1.41 1.50 116.57 119.53 2jpt h LYS 49 Ca -0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 2jpt h LYS 49 Cb 0.70 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 2jpt h LYS 49 CO 0.02 0.00 -0.02 0.22 -1.08 0.00 0.00 179.45 178.59 2jpt h ASP 50 N 0.00 0.59 -3.39 0.86 1.82 -1.80 -3.41 116.42 111.09 2jpt h ASP 50 Ca 0.49 -0.13 -0.59 0.00 -0.39 0.00 0.00 57.03 56.41 2jpt h ASP 50 Cb 2.53 -0.16 -0.09 0.00 0.68 0.00 0.00 39.33 42.30 2jpt h ASP 50 CO -0.01 0.68 0.18 0.00 -1.61 0.00 0.00 179.24 178.48 2jpt s ALA 51 N -4.94 3.54 0.09 -0.78 0.00 0.51 -4.93 121.76 115.25 2jpt s ALA 51 Ca -0.08 -0.20 0.34 0.00 0.00 0.00 0.00 51.96 52.01 2jpt s ALA 51 Cb 0.15 -3.03 1.38 0.00 0.00 0.00 0.00 23.12 21.62 2jpt s ALA 51 CO 0.78 -0.58 1.98 -0.44 0.00 0.00 0.00 175.76 177.51 2jpt h ASP 52 N 7.45 0.00 -0.63 0.00 3.32 -1.81 -2.94 116.42 121.81 2jpt h ASP 52 Ca -0.31 0.00 0.18 0.00 0.02 0.00 0.00 57.03 56.92 2jpt h ASP 52 Cb 1.14 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 2jpt h ASP 52 CO 0.79 0.00 0.55 0.00 -1.72 0.00 0.00 179.24 178.86 2jpt h ALA 53 N 2.01 2.46 -0.80 3.45 0.00 -1.91 0.53 119.26 125.00 2jpt h ALA 53 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.01 2jpt h ALA 53 Cb 0.49 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 2jpt h ALA 53 CO 0.00 -0.88 0.41 -0.39 0.00 0.00 0.00 179.25 178.40 2jpt h VAL 54 N 0.00 0.78 0.00 0.00 -1.51 -1.83 0.88 116.25 114.57 2jpt h VAL 54 Ca 0.30 -0.22 -0.13 0.00 -1.23 0.00 0.00 66.70 65.43 2jpt h VAL 54 Cb 1.40 0.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.63 2jpt h VAL 54 CO -0.00 0.12 -0.60 -0.78 -1.23 0.00 0.00 177.57 175.08 2jpt h ASP 55 N 0.63 0.00 -0.62 4.19 3.58 -1.14 -3.14 116.42 119.92 2jpt h ASP 55 Ca 0.42 0.00 0.13 0.00 0.42 0.00 0.00 57.03 58.00 2jpt h ASP 55 Cb 0.53 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.48 2jpt h ASP 55 CO -0.32 0.60 0.07 0.50 -2.88 0.00 0.00 179.24 177.20 2jpt h LYS 56 N 0.00 0.18 -0.21 0.28 3.64 -0.75 -0.73 116.57 118.98 2jpt h LYS 56 Ca -0.01 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 2jpt h LYS 56 Cb 1.07 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2jpt h LYS 56 CO 0.08 0.12 -0.63 -0.39 -2.27 0.00 0.00 179.45 176.36 2jpt h VAL 57 N 0.19 1.30 -0.72 2.00 -1.51 -1.53 -2.98 116.25 113.00 2jpt h VAL 57 Ca 0.33 -1.85 0.21 0.00 -1.23 0.00 0.00 66.70 64.16 2jpt h VAL 57 Cb 0.53 1.80 -0.03 0.00 -2.13 0.00 0.00 31.29 31.46 2jpt h VAL 57 CO -0.48 0.59 0.61 0.24 -1.23 0.00 0.00 177.57 177.30 2jpt h MET 58 N 0.54 0.00 -0.55 5.19 2.86 -1.11 0.33 114.93 122.19 2jpt h MET 58 Ca -0.01 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.75 2jpt h MET 58 Cb 1.22 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.85 2jpt h MET 58 CO 0.13 0.00 0.38 -0.22 1.06 0.00 0.00 176.91 178.26 2jpt h LYS 59 N 0.00 0.21 0.43 1.72 3.64 -1.23 1.31 116.57 122.65 2jpt h LYS 59 Ca 0.34 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 2jpt h LYS 59 Cb 1.55 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 2jpt h LYS 59 CO -0.00 0.14 -0.21 0.93 -2.27 0.00 0.00 179.45 178.04 2jpt h GLU 60 N 0.22 -0.56 -0.47 1.90 5.08 -0.54 -2.34 114.58 117.88 2jpt h GLU 60 Ca 0.26 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.57 2jpt h GLU 60 Cb 0.73 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2jpt h GLU 60 CO -0.05 -0.37 -0.05 1.37 -1.00 0.00 0.00 179.01 178.91 2jpt h LEU 61 N -0.83 0.79 -0.30 1.33 8.10 -1.59 -3.03 115.31 119.78 2jpt h LEU 61 Ca -0.06 -0.22 0.06 0.00 0.11 0.00 0.00 57.88 57.78 2jpt h LEU 61 Cb 0.45 -0.21 -0.06 0.00 -0.44 0.00 0.00 40.66 40.39 2jpt h LEU 61 CO 0.10 0.89 -0.11 -0.78 -4.11 0.00 0.00 178.44 174.43 2jpt h ASP 62 N 0.75 -0.38 -0.88 0.17 3.58 0.16 0.94 116.42 120.76 2jpt h ASP 62 Ca 0.14 0.10 0.24 0.00 0.42 0.00 0.00 57.03 57.93 2jpt h ASP 62 Cb 0.53 0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.76 2jpt h ASP 62 CO 0.03 -0.14 0.62 -0.08 -2.88 0.00 0.00 179.24 176.79 2jpt h GLU 63 N -0.05 0.08 -0.97 0.28 4.81 -1.29 0.67 114.58 118.12 2jpt h GLU 63 Ca 0.15 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2jpt h GLU 63 Cb 0.28 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2jpt h GLU 63 CO -0.33 0.05 0.05 -0.25 -0.73 0.00 0.00 179.01 177.80 2jpt n ASP 64 N -4.33 2.38 -0.16 1.04 8.00 0.32 -4.56 116.55 119.24 2jpt n ASP 64 Ca 0.18 -2.19 0.07 0.00 0.71 0.00 0.00 54.79 53.56 2jpt n ASP 64 Cb 0.89 -0.54 0.13 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.17 -0.61 0.07 0.44 0.00 0.23 0.25 105.19 105.74 2jpt n GLY 65 Ca 0.06 0.44 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 -4.48 0.68 -3.26 1.61 5.75 -1.26 -4.94 116.55 110.65 2jpt n ASP 66 Ca 0.11 -0.84 -0.12 0.00 -0.01 0.00 0.00 54.79 53.92 2jpt n ASP 66 Cb 0.35 0.85 0.07 0.00 -1.03 0.00 0.00 41.12 41.36 2jpt n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jpt n GLY 67 N 1.14 0.38 1.68 6.12 0.00 0.70 -5.01 105.19 110.20 2jpt n GLY 67 Ca 0.03 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.03 0.39 -3.94 1.61 0.28 -1.26 -3.26 120.64 112.44 2jpt n GLU 68 Ca 0.09 -1.74 -0.14 0.00 -0.16 0.00 0.00 57.16 55.20 2jpt n GLU 68 Cb 0.30 1.26 -0.15 0.00 1.43 0.00 0.00 31.44 34.29 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 -2.58 0.11 0.00 3.84 0.11 0.33 -4.84 120.40 117.37 2jpt s VAL 69 Ca 0.17 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 2jpt s VAL 69 Cb 0.01 -0.13 0.00 0.00 -1.53 0.00 0.00 36.38 34.73 2jpt s VAL 69 CO 0.12 0.05 0.00 -0.67 -3.33 0.00 0.00 175.10 171.28 2jpt n ASP 70 N 3.28 0.00 0.00 3.54 2.03 -1.26 -2.21 116.55 121.93 2jpt n ASP 70 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2jpt n ASP 70 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 2jpt n ASP 70 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2jpt n PHE 71 N 0.00 -0.37 -0.27 -0.67 7.35 -1.26 -2.75 117.46 119.49 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 0.07 0.53 0.00 0.35 0.00 0.00 39.48 40.44 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 0.35 -0.33 -4.13 7.50 -1.96 0.22 115.11 116.76 2jpt h GLN 72 Ca 0.00 -0.02 0.10 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 0.23 0.65 0.93 -1.50 0.00 0.00 178.83 179.14 2jpt h GLU 73 N 0.36 0.00 0.00 1.46 5.08 -1.95 0.39 114.58 119.92 2jpt h GLU 73 Ca 0.51 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.85 2jpt h GLU 73 Cb 1.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 2jpt h GLU 73 CO -0.20 0.00 -0.13 0.10 -1.00 0.00 0.00 179.01 177.79 2jpt h TYR 74 N 0.00 0.00 0.78 4.33 -0.00 -0.96 -3.17 116.97 117.95 2jpt h TYR 74 Ca 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.85 2jpt h TYR 74 Cb 1.46 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.19 2jpt h TYR 74 CO 0.00 0.13 -0.49 -0.39 -0.00 0.00 0.00 178.16 177.41 2jpt h VAL 75 N 0.00 0.00 -0.96 -0.90 -1.51 -0.41 -2.72 116.25 109.75 2jpt h VAL 75 Ca -0.00 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.62 2jpt h VAL 75 Cb 0.31 0.00 -0.08 0.00 -2.13 0.00 0.00 31.29 29.38 2jpt h VAL 75 CO 0.02 0.00 0.61 1.62 -1.23 0.00 0.00 177.57 178.58 2jpt h VAL 76 N -1.19 0.83 -0.98 7.19 3.04 -1.74 0.18 116.25 123.58 2jpt h VAL 76 Ca -0.10 -0.28 0.19 0.00 -1.01 0.00 0.00 66.70 65.50 2jpt h VAL 76 Cb 0.96 -0.05 -0.09 0.00 -2.01 0.00 0.00 31.29 30.09 2jpt h VAL 76 CO 0.10 0.15 0.61 0.25 -1.01 0.00 0.00 177.57 177.67 2jpt h LEU 77 N 0.81 0.67 -1.25 3.16 5.85 -1.50 0.74 115.31 123.79 2jpt h LEU 77 Ca 0.50 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 59.23 2jpt h LEU 77 Cb 0.71 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2jpt h LEU 77 CO -0.27 0.25 -0.16 0.58 -0.34 0.00 0.00 178.44 178.50 2jpt h VAL 78 N 0.66 1.21 -0.09 1.05 2.07 -0.40 -2.46 116.25 118.29 2jpt h VAL 78 Ca 0.54 -0.95 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 2jpt h VAL 78 Cb 0.98 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2jpt h VAL 78 CO -0.31 0.30 -0.57 0.00 0.02 0.00 0.00 177.57 177.01 2jpt h ALA 79 N 1.54 0.87 -0.12 1.67 0.00 0.58 -2.25 119.26 121.56 2jpt h ALA 79 Ca 0.06 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2jpt h ALA 79 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jpt h ALA 79 CO 0.03 0.70 -0.35 0.00 0.00 0.00 0.00 179.25 179.63 2jpt h ALA 80 N 1.20 1.18 0.06 0.00 0.00 -0.73 0.46 119.26 121.43 2jpt h ALA 80 Ca -0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 54.91 54.31 2jpt h ALA 80 Cb 1.06 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.78 2jpt h ALA 80 CO 0.09 0.54 -0.92 1.25 0.00 0.00 0.00 179.25 180.21 2jpt h LEU 81 N 0.21 0.72 -0.06 0.00 6.46 -1.36 -3.10 115.31 118.18 2jpt h LEU 81 Ca 0.02 -0.80 -0.05 0.00 -0.12 0.00 0.00 57.88 56.94 2jpt h LEU 81 Cb 0.73 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 2jpt h LEU 81 CO 0.06 1.43 -0.15 0.00 -0.62 0.00 0.00 178.44 179.16 2jpt h THR 82 N 0.09 1.43 -0.93 1.05 1.03 -1.33 -2.56 112.91 111.69 2jpt h THR 82 Ca -0.13 -1.51 0.16 0.00 -0.01 0.00 0.00 66.41 64.92 2jpt h THR 82 Cb 1.63 2.29 -0.08 0.00 -1.07 0.00 0.00 68.15 70.91 2jpt h THR 82 CO 0.18 0.42 0.59 1.62 -0.01 0.00 0.00 175.52 178.32 2jpt h VAL 83 N -0.32 0.79 -0.44 0.00 3.04 -1.04 1.06 116.25 119.34 2jpt h VAL 83 Ca -0.00 -0.23 -0.14 0.00 -1.01 0.00 0.00 66.70 65.31 2jpt h VAL 83 Cb 0.76 0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 2jpt h VAL 83 CO 0.03 0.12 -0.28 0.00 -1.01 0.00 0.00 177.57 176.43 2jpt h ALA 84 N 1.60 0.65 -0.12 3.17 0.00 -1.51 -2.52 119.26 120.53 2jpt h ALA 84 Ca 0.48 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2jpt h ALA 84 Cb 0.82 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.47 2jpt h ALA 84 CO -0.24 0.68 -0.68 0.00 0.00 0.00 0.00 179.25 179.01 2jpt h ASN 86 N 0.35 0.66 -0.43 0.00 -1.24 0.11 0.46 115.58 115.48 2jpt h ASN 86 Ca -0.05 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 2jpt h ASN 86 Cb 1.32 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 40.23 2jpt h ASN 86 CO 0.14 0.39 0.26 0.78 -1.29 0.00 0.00 177.43 177.70 2jpt h ASN 87 N 0.73 0.54 -0.07 1.15 -0.26 -1.41 -1.86 115.58 114.40 2jpt h ASN 87 Ca 0.38 -0.03 0.03 0.00 -0.56 0.00 0.00 56.30 56.11 2jpt h ASN 87 Cb 0.48 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.57 2jpt h ASN 87 CO -0.15 0.44 -0.09 0.15 -1.06 0.00 0.00 177.43 176.72 2jpt h PHE 88 N 0.63 -0.22 -0.17 1.19 3.57 -0.94 -2.75 116.94 118.26 2jpt h PHE 88 Ca 0.16 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 2jpt h PHE 88 Cb 0.00 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2jpt h PHE 88 CO 0.00 -0.14 0.07 0.74 -2.23 0.00 0.00 178.31 176.76 2jpt h PHE 89 N -0.12 0.26 -3.61 0.41 0.04 -1.43 -3.39 116.94 109.10 2jpt h PHE 89 Ca 0.06 -0.02 -0.70 0.00 2.80 0.00 0.00 57.97 60.12 2jpt h PHE 89 Cb 0.20 -0.08 -0.24 0.00 2.20 0.00 0.00 35.95 38.04 2jpt h PHE 89 CO -0.19 0.31 -0.53 -1.58 -0.60 0.00 0.00 178.31 175.72 2jpt s TRP 90 N -5.61 3.22 -0.02 -0.55 0.23 -0.74 -4.89 118.94 110.57 2jpt s TRP 90 Ca -0.14 -0.80 0.18 0.00 -2.03 0.00 0.00 56.10 53.30 2jpt s TRP 90 Cb 0.07 -2.41 0.31 0.00 0.03 0.00 0.00 33.47 31.47 2jpt s TRP 90 CO 0.70 -0.57 1.13 -0.85 0.96 0.00 0.00 176.95 178.31 2jpt n GLU 91 N 5.00 0.16 -0.12 4.98 0.28 -1.23 -4.44 120.64 125.27 2jpt n GLU 91 Ca -0.13 -1.84 0.18 0.00 -0.16 0.00 0.00 57.16 55.21 2jpt n GLU 91 Cb 0.47 -0.31 0.57 0.00 1.43 0.00 0.00 31.44 33.60 2jpt n GLU 91 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2jpt h ASN 92 N 0.69 0.25 -0.02 -1.84 4.21 -1.91 -3.53 115.58 113.43 2jpt h ASN 92 Ca -0.14 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.38 2jpt h ASN 92 Cb 1.66 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.83 2jpt h ASN 92 CO 0.06 0.13 0.00 -1.54 -1.29 0.00 0.00 177.43 174.79