#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dp5 s ALA -19 N 0.00 2.95 0.43 0.00 0.00 -1.26 -4.94 121.76 118.94 3dp5 s ALA -19 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 51.96 51.15 3dp5 s ALA -19 Cb 0.00 -2.70 0.94 0.00 0.00 0.00 0.00 23.12 21.36 3dp5 s ALA -19 CO 0.00 -1.52 2.06 0.77 0.00 0.00 0.00 175.76 177.07 3dp5 h SER -18 N -0.83 0.40 -0.06 0.00 0.02 -2.12 -1.23 113.55 109.74 3dp5 h SER -18 Ca -0.45 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3dp5 h SER -18 Cb 1.31 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3dp5 h SER -18 CO 0.59 0.28 0.00 -2.67 -1.14 0.00 0.00 176.83 173.89 3dp5 n TRP -17 N -4.48 0.06 -1.95 3.45 2.14 -1.26 -4.96 117.44 110.44 3dp5 n TRP -17 Ca 0.03 -0.03 -0.39 0.00 2.07 0.00 0.00 57.50 59.18 3dp5 n TRP -17 Cb 0.10 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 30.61 3dp5 n TRP -17 CO 0.00 0.00 0.00 -1.12 2.07 0.00 0.00 177.69 178.64 3dp5 s SER -16 N -1.89 5.97 0.15 -0.67 0.01 -0.47 -5.00 113.70 111.80 3dp5 s SER -16 Ca 0.36 2.72 0.03 0.00 1.31 0.00 0.00 55.95 60.37 3dp5 s SER -16 Cb 0.20 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 3dp5 s SER -16 CO 0.32 -1.09 0.28 -1.00 0.41 0.00 0.00 173.24 172.15 3dp5 s HIS -15 N -1.28 3.47 0.85 2.43 3.76 -1.26 -4.95 115.29 118.31 3dp5 s HIS -15 Ca 0.61 0.11 -0.12 0.00 -0.15 0.00 0.00 55.06 55.52 3dp5 s HIS -15 Cb -0.39 -1.66 0.11 0.00 1.11 0.00 0.00 32.58 31.75 3dp5 s HIS -15 CO 0.50 0.52 1.17 -1.25 -0.85 0.00 0.00 174.74 174.82 3dp5 s PRO -14 N -3.24 1.39 0.14 8.40 0.04 -1.26 -5.04 135.00 135.43 3dp5 s PRO -14 Ca 0.34 1.62 0.09 0.00 0.04 0.00 0.00 61.00 63.09 3dp5 s PRO -14 Cb -0.11 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 3dp5 s PRO -14 CO 0.28 -2.37 -0.21 -0.65 0.04 0.00 0.00 177.00 174.09 3dp5 s GLN -13 N -4.43 1.27 0.09 4.56 -0.21 -1.26 -5.00 119.66 114.67 3dp5 s GLN -13 Ca 0.69 -1.33 0.22 0.00 0.02 0.00 0.00 55.36 54.96 3dp5 s GLN -13 Cb -0.25 -1.49 -0.16 0.00 1.00 0.00 0.00 33.01 32.12 3dp5 s GLN -13 CO 0.54 0.33 0.77 1.97 -2.12 0.00 0.00 175.29 176.77 3dp5 n PHE -12 N 0.64 0.55 -2.54 0.91 -1.74 -1.26 -4.98 117.46 109.04 3dp5 n PHE -12 Ca -0.16 0.16 -0.36 0.00 -0.56 0.00 0.00 57.45 56.53 3dp5 n PHE -12 Cb 0.55 -0.79 -0.04 0.00 1.52 0.00 0.00 39.48 40.73 3dp5 n PHE -12 CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 3dp5 s GLU -11 N -3.37 4.07 0.00 3.97 1.03 -1.26 -5.05 118.70 118.10 3dp5 s GLU -11 Ca -0.04 1.48 -0.15 0.00 0.03 0.00 0.00 54.97 56.30 3dp5 s GLU -11 Cb 0.11 -2.43 0.02 0.00 -0.80 0.00 0.00 34.13 31.03 3dp5 s GLU -11 CO 0.84 -0.22 0.31 0.15 -1.33 0.00 0.00 175.26 175.01 3dp5 s LYS -10 N -2.67 0.71 0.00 -4.83 -0.14 -1.26 -4.96 119.74 106.59 3dp5 s LYS -10 Ca 0.60 -0.28 0.00 0.00 -1.36 0.00 0.00 55.97 54.93 3dp5 s LYS -10 Cb -0.21 0.31 0.00 0.00 -1.68 0.00 0.00 37.83 36.25 3dp5 s LYS -10 CO 0.26 -0.20 0.00 0.41 -0.76 0.00 0.00 175.35 175.06 3dp5 n GLY -9 N 1.08 0.71 0.39 -3.33 0.00 -1.26 -4.94 105.19 97.84 3dp5 n GLY -9 Ca -0.21 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.01 3dp5 n GLY -9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dp5 h ALA -8 N 0.00 2.06 -0.59 4.61 0.00 -1.99 -2.21 119.26 121.16 3dp5 h ALA -8 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3dp5 h ALA -8 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3dp5 h ALA -8 CO 0.00 -0.47 0.39 0.93 0.00 0.00 0.00 179.25 180.10 3dp5 h GLU -7 N 0.49 0.56 -0.41 0.00 3.07 -2.03 -2.30 114.58 113.96 3dp5 h GLU -7 Ca 0.59 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 3dp5 h GLU -7 Cb 1.34 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 3dp5 h GLU -7 CO -0.33 0.37 0.00 0.25 -1.40 0.00 0.00 179.01 177.90 3dp5 n THR -6 N -4.47 0.52 -1.62 1.13 -2.24 -0.83 -4.64 114.28 102.12 3dp5 n THR -6 Ca 0.08 -0.73 -0.41 0.00 -2.27 0.00 0.00 64.05 60.72 3dp5 n THR -6 Cb 0.22 0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 69.32 3dp5 n THR -6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dp5 n ALA -5 N 1.41 6.33 -2.69 6.98 0.00 -0.87 -4.94 120.51 126.73 3dp5 n ALA -5 Ca 0.20 -3.79 -0.28 0.00 0.00 0.00 0.00 53.44 49.57 3dp5 n ALA -5 Cb 0.58 -3.42 -0.08 0.00 0.00 0.00 0.00 19.45 16.54 3dp5 n ALA -5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3dp5 s VAL -4 N 2.49 3.92 0.69 0.00 -7.23 -1.26 -5.10 120.40 113.91 3dp5 s VAL -4 Ca 0.55 -1.20 -0.15 0.00 -1.81 0.00 0.00 61.98 59.37 3dp5 s VAL -4 Cb 0.15 -2.93 0.01 0.00 0.56 0.00 0.00 36.38 34.18 3dp5 s VAL -4 CO -0.07 -0.01 1.15 -2.16 -0.31 0.00 0.00 175.10 173.70 3dp5 s PRO -3 N -2.67 2.54 -0.08 4.82 0.04 -1.26 -4.97 135.00 133.42 3dp5 s PRO -3 Ca 0.27 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 3dp5 s PRO -3 Cb -0.10 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3dp5 s PRO -3 CO 0.19 -1.48 1.46 -0.80 0.04 0.00 0.00 177.00 176.41 3dp5 s ASN -2 N -2.35 6.81 0.66 6.66 0.01 -1.26 -5.01 114.94 120.46 3dp5 s ASN -2 Ca 0.70 2.02 -0.16 0.00 -0.71 0.00 0.00 52.86 54.71 3dp5 s ASN -2 Cb -0.24 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.88 3dp5 s ASN -2 CO 0.43 -0.82 1.17 -0.94 -1.51 0.00 0.00 177.10 175.43 3dp5 s SER -1 N 2.50 4.85 0.39 -1.22 1.04 -1.26 -5.01 113.70 114.99 3dp5 s SER -1 Ca 0.65 2.23 -0.15 0.00 0.48 0.00 0.00 55.95 59.15 3dp5 s SER -1 Cb -0.29 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.17 3dp5 s SER -1 CO 0.24 -1.81 0.82 -0.83 0.98 0.00 0.00 173.24 172.64 3dp5 s GLY 26 N -2.09 2.20 0.16 7.32 0.00 -1.26 -4.99 107.32 108.65 3dp5 s GLY 26 Ca 0.72 0.07 -0.13 0.00 0.00 0.00 0.00 44.72 45.39 3dp5 s GLY 26 CO 0.40 0.30 1.68 -1.33 0.00 0.00 0.00 173.10 174.14 3dp5 h GLY 27 N 1.72 0.90 0.99 0.20 0.00 -1.95 -2.05 103.07 102.88 3dp5 h GLY 27 Ca -0.48 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.32 3dp5 h GLY 27 CO 0.63 0.51 0.38 -1.33 0.00 0.00 0.00 176.54 176.73 3dp5 h GLY 28 N 0.74 0.81 0.95 4.60 0.00 -1.95 0.16 103.07 108.39 3dp5 h GLY 28 Ca 0.17 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 3dp5 h GLY 28 CO -0.00 0.29 0.13 1.05 0.00 0.00 0.00 176.54 178.01 3dp5 h GLU 29 N 0.77 0.70 -0.50 4.80 4.11 -1.95 -0.64 114.58 121.87 3dp5 h GLU 29 Ca 0.21 -0.16 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 3dp5 h GLU 29 Cb -0.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3dp5 h GLU 29 CO -0.05 0.68 0.27 -0.07 0.07 0.00 0.00 179.01 179.92 3dp5 h LEU 30 N 0.59 0.63 -0.11 3.06 3.38 -1.17 -1.22 115.31 120.47 3dp5 h LEU 30 Ca 0.14 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3dp5 h LEU 30 Cb 0.28 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3dp5 h LEU 30 CO -0.00 0.54 -0.07 0.15 0.09 0.00 0.00 178.44 179.15 3dp5 h PHE 31 N 0.67 -0.17 -0.54 1.13 3.57 -0.59 -0.43 116.94 120.58 3dp5 h PHE 31 Ca 0.18 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.79 3dp5 h PHE 31 Cb 0.06 0.09 -0.08 0.00 2.79 0.00 0.00 35.95 38.81 3dp5 h PHE 31 CO -0.02 -0.11 0.07 0.00 -2.23 0.00 0.00 178.31 176.02 3dp5 h ALA 32 N 1.03 0.58 0.05 2.41 0.00 -0.83 0.17 119.26 122.67 3dp5 h ALA 32 Ca 0.07 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3dp5 h ALA 32 Cb 0.18 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3dp5 h ALA 32 CO -0.16 -0.34 -0.03 1.15 0.00 0.00 0.00 179.25 179.88 3dp5 h THR 33 N 0.20 1.08 0.00 0.00 2.02 -1.07 -3.35 112.91 111.78 3dp5 h THR 33 Ca 0.28 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 3dp5 h THR 33 Cb 0.40 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3dp5 h THR 33 CO -0.39 0.11 -2.02 1.41 0.37 0.00 0.00 175.52 175.00 3dp5 n HIS 34 N -5.03 0.00 0.00 3.16 8.25 -0.18 -4.81 115.22 116.60 3dp5 n HIS 34 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3dp5 n HIS 34 Cb 0.14 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.70 3dp5 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dp5 h ALA 36 N 0.00 1.09 -0.52 0.00 0.00 -1.30 0.07 119.26 118.60 3dp5 h ALA 36 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3dp5 h ALA 36 Cb 0.72 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3dp5 h ALA 36 CO 0.00 0.08 0.24 0.78 0.00 0.00 0.00 179.25 180.35 3dp5 h GLY 37 N 1.27 0.72 0.74 0.00 0.00 -1.86 -1.87 103.07 102.08 3dp5 h GLY 37 Ca -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 3dp5 h GLY 37 CO 0.01 0.08 -1.38 0.00 0.00 0.00 0.00 176.54 175.25 3dp5 n HIS 39 N -2.65 3.49 -2.20 0.00 -0.00 -0.03 -0.84 115.22 112.98 3dp5 n HIS 39 Ca -0.05 -3.43 -0.42 0.00 -0.00 0.00 0.00 57.72 53.82 3dp5 n HIS 39 Cb 0.66 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.99 30.37 3dp5 n HIS 39 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3dp5 s PRO 40 N -3.48 4.37 -1.43 -0.41 0.04 -0.71 -1.46 135.00 131.91 3dp5 s PRO 40 Ca 0.47 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.57 3dp5 s PRO 40 Cb 0.36 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.69 3dp5 s PRO 40 CO -0.16 -0.31 0.00 1.04 0.04 0.00 0.00 177.00 177.61 3dp5 n GLN 41 N 3.05 -1.83 -1.30 4.56 6.02 -1.26 -1.19 117.38 125.43 3dp5 n GLN 41 Ca 0.08 0.81 -0.05 0.00 -0.01 0.00 0.00 57.00 57.83 3dp5 n GLN 41 Cb 0.43 -5.34 -0.02 0.00 1.02 0.00 0.00 30.24 26.33 3dp5 n GLN 41 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dp5 n GLY 42 N -0.73 0.64 0.00 1.08 0.00 -0.54 -5.01 105.19 100.63 3dp5 n GLY 42 Ca -0.18 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3dp5 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dp5 n GLY 43 N -2.19 1.54 3.15 -0.02 0.00 -0.33 -0.86 105.19 106.48 3dp5 n GLY 43 Ca -0.05 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.29 3dp5 n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dp5 s ASN 44 N -1.00 -1.25 0.05 1.61 3.84 -1.25 -4.10 114.94 112.84 3dp5 s ASN 44 Ca 0.00 0.76 0.26 0.00 0.21 0.00 0.00 52.86 54.10 3dp5 s ASN 44 Cb 0.00 2.04 0.78 0.00 -0.55 0.00 0.00 41.25 43.52 3dp5 s ASN 44 CO 0.00 -0.23 1.63 0.35 -2.79 0.00 0.00 177.10 176.05 3dp5 n THR 45 N 5.44 0.14 -0.11 -5.21 -2.24 -0.02 -3.30 114.28 108.97 3dp5 n THR 45 Ca -0.02 -0.08 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 3dp5 n THR 45 Cb 0.52 -0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.45 3dp5 n THR 45 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3dp5 n VAL 46 N -1.70 1.55 -3.79 2.28 0.31 -1.26 -4.75 118.33 110.97 3dp5 n VAL 46 Ca 0.06 -0.39 -0.30 0.00 -0.01 0.00 0.00 64.34 63.70 3dp5 n VAL 46 Cb 0.37 -1.79 -0.14 0.00 -0.91 0.00 0.00 33.84 31.38 3dp5 n VAL 46 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3dp5 s HIS 47 N -2.49 2.35 0.50 3.52 5.65 -1.26 -5.03 115.29 118.53 3dp5 s HIS 47 Ca -0.34 -2.58 0.31 0.00 0.25 0.00 0.00 55.06 52.70 3dp5 s HIS 47 Cb 0.11 -2.16 1.41 0.00 -1.18 0.00 0.00 32.58 30.76 3dp5 s HIS 47 CO 0.57 -0.79 1.79 -1.35 -0.65 0.00 0.00 174.74 174.31 3dp5 h PRO 48 N 6.85 0.12 0.00 2.88 0.11 -1.85 0.00 132.00 140.11 3dp5 h PRO 48 Ca -0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3dp5 h PRO 48 Cb 0.93 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3dp5 h PRO 48 CO 0.53 0.08 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 3dp5 n GLU 49 N -4.33 0.01 -2.86 1.05 1.02 -1.26 -4.29 120.64 109.98 3dp5 n GLU 49 Ca 0.25 0.06 -0.35 0.00 -0.02 0.00 0.00 57.16 57.11 3dp5 n GLU 49 Cb 1.13 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 31.04 3dp5 n GLU 49 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3dp5 n LYS 50 N -1.49 4.28 -1.66 3.49 4.76 -0.01 -5.03 118.16 122.49 3dp5 n LYS 50 Ca 0.06 -4.74 -0.29 0.00 -2.87 0.00 0.00 58.31 50.48 3dp5 n LYS 50 Cb 0.30 -2.37 0.12 0.00 -1.84 0.00 0.00 35.03 31.24 3dp5 n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3dp5 s THR 51 N -4.09 2.00 -2.11 -0.18 -4.23 -1.26 -4.68 115.64 101.09 3dp5 s THR 51 Ca 0.42 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 61.09 3dp5 s THR 51 Cb 0.21 -2.84 0.41 0.00 1.34 0.00 0.00 72.50 71.62 3dp5 s THR 51 CO -0.10 0.00 1.39 0.18 -0.54 0.00 0.00 174.62 175.55 3dp5 n LEU 52 N -3.62 2.22 -4.62 4.79 4.77 -0.04 -4.42 117.00 116.09 3dp5 n LEU 52 Ca 0.07 -1.05 -0.47 0.00 -0.03 0.00 0.00 56.01 54.53 3dp5 n LEU 52 Cb 0.60 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3dp5 n LEU 52 CO 0.57 0.53 0.82 0.00 -1.33 0.00 0.00 177.39 177.98 3dp5 n ALA 53 N 0.70 0.03 -0.20 -1.18 0.00 -1.25 -4.70 120.51 113.90 3dp5 n ALA 53 Ca 0.15 0.43 -0.02 0.00 0.00 0.00 0.00 53.44 54.01 3dp5 n ALA 53 Cb 0.37 -2.12 0.05 0.00 0.00 0.00 0.00 19.45 17.75 3dp5 n ALA 53 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3dp5 h ARG 54 N 3.54 -0.05 -0.50 0.00 2.43 -1.52 -0.52 114.38 117.77 3dp5 h ARG 54 Ca -0.44 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.76 3dp5 h ARG 54 Cb 1.32 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.85 3dp5 h ARG 54 CO 0.71 -0.03 0.33 0.00 -1.51 0.00 0.00 179.97 179.47 3dp5 h ALA 55 N 1.44 1.71 -0.09 2.80 0.00 -1.90 -1.07 119.26 122.16 3dp5 h ALA 55 Ca 0.28 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 3dp5 h ALA 55 Cb 0.49 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3dp5 h ALA 55 CO -0.64 0.25 -0.39 0.00 0.00 0.00 0.00 179.25 178.46 3dp5 h ARG 56 N 0.61 0.43 -0.53 0.00 2.47 -1.45 -2.15 114.38 113.75 3dp5 h ARG 56 Ca 0.19 -0.34 0.02 0.00 -1.26 0.00 0.00 59.98 58.60 3dp5 h ARG 56 Cb 0.02 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 3dp5 h ARG 56 CO -0.05 0.97 0.32 0.00 0.56 0.00 0.00 179.97 181.78 3dp5 h ARG 57 N -0.02 0.63 0.00 0.04 3.08 -0.98 -2.57 114.38 114.55 3dp5 h ARG 57 Ca -0.02 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3dp5 h ARG 57 Cb 1.03 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 3dp5 h ARG 57 CO 0.08 0.41 -0.15 0.93 -1.07 0.00 0.00 179.97 180.18 3dp5 h GLU 58 N 0.65 0.00 0.00 0.04 5.08 -1.19 -1.19 114.58 117.96 3dp5 h GLU 58 Ca 0.21 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3dp5 h GLU 58 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3dp5 h GLU 58 CO -0.09 0.15 -0.12 0.00 -1.00 0.00 0.00 179.01 177.95 3dp5 h ALA 59 N 1.85 1.39 -0.53 3.43 0.00 -0.96 -1.58 119.26 122.87 3dp5 h ALA 59 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3dp5 h ALA 59 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3dp5 h ALA 59 CO 0.02 0.15 0.00 -1.71 0.00 0.00 0.00 179.25 177.71 3dp5 n ASN 60 N -3.80 5.07 -0.19 0.00 5.15 -0.96 -4.95 115.26 115.58 3dp5 n ASN 60 Ca -0.02 -2.80 -0.03 0.00 -0.60 0.00 0.00 54.58 51.13 3dp5 n ASN 60 Cb 0.23 -0.62 -0.01 0.00 -0.53 0.00 0.00 39.78 38.85 3dp5 n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dp5 n GLY 61 N 0.52 0.54 3.43 8.20 0.00 -0.59 -4.97 105.19 112.31 3dp5 n GLY 61 Ca 0.26 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3dp5 n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dp5 s ILE 62 N -1.86 5.03 -0.17 -0.61 1.01 -0.49 -4.80 121.20 119.30 3dp5 s ILE 62 Ca 0.00 -2.16 0.01 0.00 0.00 0.00 0.00 60.65 58.50 3dp5 s ILE 62 Cb 0.00 -4.77 -0.11 0.00 0.01 0.00 0.00 42.46 37.59 3dp5 s ILE 62 CO 0.00 -1.46 -0.15 0.54 0.00 0.00 0.00 174.94 173.87 3dp5 n ARG 63 N 5.65 0.43 -3.59 2.79 1.74 -1.26 -3.31 116.66 119.11 3dp5 n ARG 63 Ca 0.27 0.10 -0.21 0.00 -0.77 0.00 0.00 57.85 57.24 3dp5 n ARG 63 Cb 0.46 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.53 3dp5 n ARG 63 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3dp5 s THR 64 N -2.35 2.77 0.21 0.55 -4.23 -1.26 -5.00 115.64 106.34 3dp5 s THR 64 Ca -0.23 -1.34 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 3dp5 s THR 64 Cb 0.06 -3.02 0.23 0.00 1.34 0.00 0.00 72.50 71.10 3dp5 s THR 64 CO 0.40 -0.02 1.64 0.58 -0.54 0.00 0.00 174.62 176.67 3dp5 h VAL 65 N 1.05 0.40 -0.72 2.29 2.07 -1.95 -2.25 116.25 117.14 3dp5 h VAL 65 Ca -0.42 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 3dp5 h VAL 65 Cb 1.26 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3dp5 h VAL 65 CO 0.57 0.01 0.22 0.03 0.02 0.00 0.00 177.57 178.42 3dp5 h ARG 66 N 0.04 1.12 -0.39 1.57 3.08 -1.93 -1.97 114.38 115.90 3dp5 h ARG 66 Ca 0.32 -0.25 0.06 0.00 0.07 0.00 0.00 59.98 60.18 3dp5 h ARG 66 Cb 0.50 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 3dp5 h ARG 66 CO -0.61 0.96 0.09 -0.44 -1.07 0.00 0.00 179.97 178.90 3dp5 h ASP 67 N 1.07 0.03 -0.57 7.04 3.32 -1.82 0.74 116.42 126.22 3dp5 h ASP 67 Ca 0.23 0.06 0.11 0.00 0.02 0.00 0.00 57.03 57.45 3dp5 h ASP 67 Cb 0.32 0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.86 3dp5 h ASP 67 CO -0.01 0.05 0.08 0.58 -1.72 0.00 0.00 179.24 178.23 3dp5 h VAL 68 N 0.22 0.62 0.00 -1.35 2.07 -1.04 0.13 116.25 116.90 3dp5 h VAL 68 Ca 0.19 -0.07 -0.17 0.00 0.82 0.00 0.00 66.70 67.47 3dp5 h VAL 68 Cb 0.22 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3dp5 h VAL 68 CO -0.24 0.04 -0.79 0.00 0.02 0.00 0.00 177.57 176.60 3dp5 h ALA 69 N 1.48 0.63 0.02 1.67 0.00 -0.18 -2.09 119.26 120.78 3dp5 h ALA 69 Ca 0.30 -0.72 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 3dp5 h ALA 69 Cb 0.45 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3dp5 h ALA 69 CO -0.42 0.98 -0.49 0.00 0.00 0.00 0.00 179.25 179.33 3dp5 h ALA 70 N 1.21 0.04 -0.81 0.00 0.00 -0.87 -3.35 119.26 115.47 3dp5 h ALA 70 Ca -0.01 -0.55 0.12 0.00 0.00 0.00 0.00 54.91 54.48 3dp5 h ALA 70 Cb 1.46 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.20 3dp5 h ALA 70 CO 0.10 0.25 0.42 -0.92 0.00 0.00 0.00 179.25 179.11 3dp5 h TYR 71 N -0.31 0.74 0.00 0.00 3.20 -0.06 -1.88 116.97 118.68 3dp5 h TYR 71 Ca -0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3dp5 h TYR 71 Cb 1.24 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.30 3dp5 h TYR 71 CO 0.17 0.22 0.00 -0.84 -1.64 0.00 0.00 178.16 176.07 3dp5 h ILE 72 N 0.64 0.00 0.00 1.81 3.07 -1.61 -2.48 117.51 118.94 3dp5 h ILE 72 Ca 0.42 -0.17 -0.06 0.00 1.55 0.00 0.00 64.86 66.61 3dp5 h ILE 72 Cb 0.54 0.88 -0.01 0.00 -0.27 0.00 0.00 36.82 37.96 3dp5 h ILE 72 CO -0.32 0.00 -0.27 0.03 -1.05 0.00 0.00 178.15 176.54 3dp5 h ARG 73 N 0.00 0.00 -0.27 0.16 2.47 -1.51 -0.93 114.38 114.30 3dp5 h ARG 73 Ca 0.00 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.45 3dp5 h ARG 73 Cb 0.23 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 28.38 3dp5 h ARG 73 CO 0.00 0.27 -0.56 -1.71 0.56 0.00 0.00 179.97 178.53 3dp5 n ASN 74 N -3.46 -2.25 -3.14 7.04 5.15 -0.94 -4.50 115.26 113.16 3dp5 n ASN 74 Ca -0.00 -3.39 -0.14 0.00 -0.60 0.00 0.00 54.58 50.44 3dp5 n ASN 74 Cb 0.44 1.54 0.09 0.00 -0.53 0.00 0.00 39.78 41.33 3dp5 n ASN 74 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3dp5 n PRO 75 N 1.07 -0.34 -1.56 1.20 -0.04 -1.17 -5.02 135.00 129.14 3dp5 n PRO 75 Ca 0.10 -1.22 -0.30 0.00 -0.04 0.00 0.00 63.50 62.04 3dp5 n PRO 75 Cb 0.65 -0.58 0.20 0.00 -0.04 0.00 0.00 33.50 33.72 3dp5 n PRO 75 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3dp5 s GLY 76 N -4.27 1.67 0.28 0.55 0.00 -1.26 -4.90 107.32 99.40 3dp5 s GLY 76 Ca 0.38 -0.99 -0.30 0.00 0.00 0.00 0.00 44.72 43.81 3dp5 s GLY 76 CO 0.26 -0.22 1.50 -1.05 0.00 0.00 0.00 173.10 173.59 3dp5 n PRO 77 N -4.12 2.42 -0.27 2.90 -0.02 -1.26 -2.32 135.00 132.33 3dp5 n PRO 77 Ca 0.13 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3dp5 n PRO 77 Cb 0.59 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3dp5 n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dp5 n GLY 78 N 1.95 1.31 3.49 -1.23 0.00 -1.26 -4.98 105.19 104.46 3dp5 n GLY 78 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3dp5 n GLY 78 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3dp5 s MET 79 N -0.42 3.59 0.52 1.61 0.00 -0.98 -5.05 119.30 118.57 3dp5 s MET 79 Ca 0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 55.69 54.96 3dp5 s MET 79 Cb 0.00 -2.86 -0.07 0.00 0.00 0.00 0.00 34.83 31.90 3dp5 s MET 79 CO 0.00 0.26 1.04 -1.25 0.00 0.00 0.00 175.02 175.07 3dp5 s PRO 80 N 0.29 3.66 0.30 4.11 0.04 -1.26 -4.69 135.00 137.45 3dp5 s PRO 80 Ca -0.04 1.27 -0.27 0.00 0.04 0.00 0.00 61.00 61.99 3dp5 s PRO 80 Cb -0.14 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 3dp5 s PRO 80 CO 0.03 -0.54 0.96 0.00 0.04 0.00 0.00 177.00 177.50 3dp5 s ALA 81 N -2.20 3.25 -0.25 8.56 0.00 -1.26 -4.74 121.76 125.13 3dp5 s ALA 81 Ca 0.65 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 3dp5 s ALA 81 Cb -0.15 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.78 3dp5 s ALA 81 CO 0.26 0.14 -0.05 -0.06 0.00 0.00 0.00 175.76 176.05 3dp5 s PHE 82 N -1.46 3.04 0.00 0.00 0.40 -0.35 -5.02 117.98 114.59 3dp5 s PHE 82 Ca 0.48 -1.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.39 3dp5 s PHE 82 Cb -0.22 -2.08 0.00 0.00 0.51 0.00 0.00 43.02 41.24 3dp5 s PHE 82 CO 0.27 -0.69 0.00 0.41 0.70 0.00 0.00 175.22 175.91 3dp5 n GLY 83 N 4.70 2.26 0.03 4.36 0.00 -1.26 -4.24 105.19 111.04 3dp5 n GLY 83 Ca -0.17 -2.13 0.09 0.00 0.00 0.00 0.00 46.02 43.82 3dp5 n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dp5 n GLU 84 N -0.77 0.65 -0.03 1.61 1.02 -1.26 -1.04 120.64 120.82 3dp5 n GLU 84 Ca 0.00 -0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 56.89 3dp5 n GLU 84 Cb 0.00 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 29.79 3dp5 n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dp5 h ALA 85 N 1.92 0.15 -0.08 0.62 0.00 -1.98 -2.14 119.26 117.75 3dp5 h ALA 85 Ca -0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3dp5 h ALA 85 Cb 1.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3dp5 h ALA 85 CO 0.00 -0.21 -0.14 1.98 0.00 0.00 0.00 179.25 180.89 3dp5 h MET 86 N -0.04 0.23 -3.19 0.00 1.85 -1.89 -3.40 114.93 108.49 3dp5 h MET 86 Ca 0.03 -0.14 -0.62 0.00 -0.61 0.00 0.00 59.70 58.36 3dp5 h MET 86 Cb 0.28 0.02 -0.40 0.00 0.43 0.00 0.00 31.60 31.92 3dp5 h MET 86 CO 0.00 0.72 -0.70 0.42 -0.40 0.00 0.00 176.91 176.96 3dp5 s ILE 87 N -4.02 1.82 0.87 1.77 1.01 -0.21 -5.04 121.20 117.41 3dp5 s ILE 87 Ca -0.15 -2.78 -0.11 0.00 0.00 0.00 0.00 60.65 57.61 3dp5 s ILE 87 Cb 0.03 -2.28 0.12 0.00 0.01 0.00 0.00 42.46 40.34 3dp5 s ILE 87 CO 0.73 -0.85 1.15 -2.84 0.00 0.00 0.00 174.94 173.14 3dp5 s PRO 88 N 0.18 1.34 0.26 2.79 0.02 -0.80 -4.25 135.00 134.53 3dp5 s PRO 88 Ca 0.17 1.56 -0.05 0.00 0.02 0.00 0.00 61.00 62.69 3dp5 s PRO 88 Cb -0.25 -1.76 0.51 0.00 0.02 0.00 0.00 34.50 33.02 3dp5 s PRO 88 CO -0.01 -2.40 1.62 -1.35 -0.33 0.00 0.00 177.00 174.54 3dp5 h PRO 89 N -1.52 0.09 -0.95 5.54 0.11 -1.96 0.18 132.00 133.48 3dp5 h PRO 89 Ca -0.44 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.69 3dp5 h PRO 89 Cb 1.27 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 3dp5 h PRO 89 CO 0.44 0.06 0.62 0.00 -0.21 0.00 0.00 178.00 178.91 3dp5 h ALA 90 N 1.77 1.25 -0.27 -0.75 0.00 -1.99 -2.23 119.26 117.04 3dp5 h ALA 90 Ca 0.46 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.15 3dp5 h ALA 90 Cb 0.83 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3dp5 h ALA 90 CO -0.72 0.53 -0.48 -0.44 0.00 0.00 0.00 179.25 178.13 3dp5 h ASP 91 N 1.23 0.81 -0.88 0.00 3.45 -1.37 -2.64 116.42 117.02 3dp5 h ASP 91 Ca 0.37 -0.40 0.04 0.00 0.43 0.00 0.00 57.03 57.47 3dp5 h ASP 91 Cb -0.04 -0.23 -0.05 0.00 -0.56 0.00 0.00 39.33 38.45 3dp5 h ASP 91 CO -0.11 1.16 0.56 0.00 -1.57 0.00 0.00 179.24 179.28 3dp5 h ALA 92 N 0.87 1.17 -0.41 3.45 0.00 -0.81 -1.24 119.26 122.29 3dp5 h ALA 92 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dp5 h ALA 92 Cb 1.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3dp5 h ALA 92 CO 0.10 0.39 0.20 -0.07 0.00 0.00 0.00 179.25 179.87 3dp5 h LEU 93 N 1.08 0.52 -0.46 0.00 3.38 -1.23 -0.52 115.31 118.09 3dp5 h LEU 93 Ca 0.36 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.23 3dp5 h LEU 93 Cb 0.05 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3dp5 h LEU 93 CO -0.13 0.49 0.26 0.11 0.09 0.00 0.00 178.44 179.27 3dp5 h LYS 94 N 0.52 0.52 -0.23 1.13 1.79 -1.22 0.24 116.57 119.31 3dp5 h LYS 94 Ca 0.14 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 3dp5 h LYS 94 Cb 0.10 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 3dp5 h LYS 94 CO -0.02 0.34 0.12 0.82 -1.08 0.00 0.00 179.45 179.63 3dp5 h ILE 95 N 0.53 1.13 -0.37 1.86 2.04 -1.06 -1.26 117.51 120.37 3dp5 h ILE 95 Ca 0.18 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 65.76 3dp5 h ILE 95 Cb 0.03 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3dp5 h ILE 95 CO -0.09 0.13 -0.07 1.23 0.00 0.00 0.00 178.15 179.35 3dp5 h GLY 96 N 0.26 0.30 0.09 5.37 0.00 -0.71 -1.00 103.07 107.38 3dp5 h GLY 96 Ca 0.08 0.10 0.11 0.00 0.00 0.00 0.00 47.33 47.62 3dp5 h GLY 96 CO -0.01 -0.13 -0.01 0.83 0.00 0.00 0.00 176.54 177.22 3dp5 h GLU 97 N 0.03 0.10 -0.48 4.80 5.08 -0.33 -1.33 114.58 122.44 3dp5 h GLU 97 Ca 0.18 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3dp5 h GLU 97 Cb 0.27 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3dp5 h GLU 97 CO -0.36 0.07 0.05 -0.92 -1.00 0.00 0.00 179.01 176.85 3dp5 h TYR 98 N 0.11 0.88 -0.16 4.33 3.20 -0.86 0.24 116.97 124.70 3dp5 h TYR 98 Ca 0.27 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 62.03 3dp5 h TYR 98 Cb 0.42 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3dp5 h TYR 98 CO -0.34 0.82 0.03 0.28 -1.64 0.00 0.00 178.16 177.31 3dp5 h VAL 99 N 0.69 0.93 -0.46 1.81 2.07 -0.81 -0.28 116.25 120.20 3dp5 h VAL 99 Ca 0.14 -0.03 -0.11 0.00 0.82 0.00 0.00 66.70 67.52 3dp5 h VAL 99 Cb 0.43 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3dp5 h VAL 99 CO 0.01 0.02 -0.14 0.58 0.02 0.00 0.00 177.57 178.06 3dp5 h VAL 100 N 0.10 1.27 0.00 2.57 2.07 -1.10 -2.34 116.25 118.82 3dp5 h VAL 100 Ca 0.07 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.31 3dp5 h VAL 100 Cb 0.06 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3dp5 h VAL 100 CO -0.10 0.44 0.00 0.00 0.02 0.00 0.00 177.57 177.93 3dp5 h ALA 101 N 0.87 1.00 0.00 1.67 0.00 -0.80 -3.37 119.26 118.63 3dp5 h ALA 101 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.76 3dp5 h ALA 101 Cb 0.70 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3dp5 h ALA 101 CO 0.05 0.00 -2.00 0.43 0.00 0.00 0.00 179.25 177.73 3dp5 n SER 102 N -2.92 2.28 -4.13 0.00 7.64 -0.13 -4.95 113.62 111.41 3dp5 n SER 102 Ca 0.01 -0.07 -0.36 0.00 1.01 0.00 0.00 58.87 59.47 3dp5 n SER 102 Cb 0.28 0.07 -0.12 0.00 -1.01 0.00 0.00 64.21 63.43 3dp5 n SER 102 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3dp5 s PHE 103 N -2.35 3.52 -2.00 1.43 0.08 -0.90 -5.07 117.98 112.69 3dp5 s PHE 103 Ca -0.19 -2.31 0.27 0.00 0.12 0.00 0.00 56.93 54.83 3dp5 s PHE 103 Cb 0.06 -2.94 1.63 0.00 -0.57 0.00 0.00 43.02 41.20 3dp5 s PHE 103 CO 0.46 -0.93 1.98 -0.35 -0.10 0.00 0.00 175.22 176.29