#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irv n GLU -4 N 0.00 1.42 -4.88 -0.78 1.02 -1.26 -5.01 120.64 111.15 1irv n GLU -4 Ca 0.00 -1.47 -0.33 0.00 -0.02 0.00 0.00 57.16 55.35 1irv n GLU -4 Cb 0.00 -0.93 -0.16 0.00 -0.02 0.00 0.00 31.44 30.33 1irv n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1irv s PHE -3 N -1.09 2.69 -0.17 -0.32 5.36 -1.26 -5.07 117.98 118.11 1irv s PHE -3 Ca 0.08 -0.98 -0.00 0.00 -0.96 0.00 0.00 56.93 55.07 1irv s PHE -3 Cb 0.07 -1.80 0.00 0.00 -0.34 0.00 0.00 43.02 40.96 1irv s PHE -3 CO 0.01 -0.40 -0.15 0.21 -1.46 0.00 0.00 175.22 173.43 1irv s LYS -2 N 0.51 3.16 1.01 10.12 2.20 -1.26 -5.09 119.74 130.39 1irv s LYS -2 Ca -0.12 -0.76 -0.18 0.00 -0.36 0.00 0.00 55.97 54.55 1irv s LYS -2 Cb -0.17 -2.67 -0.03 0.00 -1.51 0.00 0.00 37.83 33.46 1irv s LYS -2 CO 0.05 -0.10 -0.28 0.00 -0.36 0.00 0.00 175.35 174.66 1irv n ALA -1 N 4.38 -4.18 -3.00 3.13 0.00 -1.26 -4.76 120.51 114.82 1irv n ALA -1 Ca -0.20 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1irv n ALA -1 Cb 0.51 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1irv n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1irv n GLY 1 N 2.41 3.51 3.63 0.00 0.00 -1.26 -4.90 105.19 108.57 1irv n GLY 1 Ca 0.02 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1irv n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1irv s SER 2 N 1.58 6.83 0.27 1.61 0.15 -1.26 -4.91 113.70 117.97 1irv s SER 2 Ca 0.00 0.97 -0.01 0.00 0.70 0.00 0.00 55.95 57.60 1irv s SER 2 Cb 0.00 -2.54 0.37 0.00 -1.71 0.00 0.00 66.02 62.14 1irv s SER 2 CO 0.00 -0.98 1.79 0.00 1.20 0.00 0.00 173.24 175.24 1irv h ALA 3 N 8.50 1.16 0.00 5.45 0.00 -1.92 0.19 119.26 132.63 1irv h ALA 3 Ca -0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1irv h ALA 3 Cb 1.07 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1irv h ALA 3 CO 1.05 0.55 -0.17 0.87 0.00 0.00 0.00 179.25 181.56 1irv h LYS 4 N 0.75 0.00 0.06 0.00 1.57 -1.93 -2.40 116.57 114.61 1irv h LYS 4 Ca 0.15 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.74 1irv h LYS 4 Cb 0.39 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.72 1irv h LYS 4 CO 0.01 0.17 -0.79 -0.22 -0.57 0.00 0.00 179.45 178.05 1irv h LYS 5 N 0.00 0.43 0.42 3.15 3.64 -1.61 -3.28 116.57 119.33 1irv h LYS 5 Ca -0.00 -0.54 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 1irv h LYS 5 Cb 0.95 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1irv h LYS 5 CO 0.02 1.20 -0.31 0.78 -2.27 0.00 0.00 179.45 178.87 1irv h GLY 6 N -0.08 -0.78 -0.84 5.01 0.00 -0.52 -2.51 103.07 103.35 1irv h GLY 6 Ca -0.11 0.35 0.18 0.00 0.00 0.00 0.00 47.33 47.75 1irv h GLY 6 CO 0.15 -0.29 -0.17 0.00 0.00 0.00 0.00 176.54 176.23 1irv n ALA 7 N -2.56 0.24 -0.00 3.60 0.00 -0.92 -0.87 120.51 119.99 1irv n ALA 7 Ca -0.11 0.92 -0.13 0.00 0.00 0.00 0.00 53.44 54.13 1irv n ALA 7 Cb 0.34 -0.57 -0.10 0.00 0.00 0.00 0.00 19.45 19.12 1irv n ALA 7 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1irv h THR 8 N 0.00 1.33 -0.40 0.00 1.35 -1.57 -2.62 112.91 111.00 1irv h THR 8 Ca 0.42 -1.31 0.07 0.00 -0.55 0.00 0.00 66.41 65.04 1irv h THR 8 Cb 0.68 2.19 -0.09 0.00 -1.73 0.00 0.00 68.15 69.20 1irv h THR 8 CO -0.86 0.33 -0.40 0.25 -0.25 0.00 0.00 175.52 174.59 1irv h LEU 9 N -0.64 -1.34 -0.89 3.87 5.85 -0.70 -1.42 115.31 120.04 1irv h LEU 9 Ca -0.01 0.21 0.14 0.00 0.84 0.00 0.00 57.88 59.07 1irv h LEU 9 Cb 0.58 0.60 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 1irv h LEU 9 CO 0.01 -0.36 0.49 0.15 -0.34 0.00 0.00 178.44 178.39 1irv h PHE 10 N -0.31 0.87 0.31 1.25 3.04 -1.07 1.31 116.94 122.34 1irv h PHE 10 Ca 0.15 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 1irv h PHE 10 Cb 0.58 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1irv h PHE 10 CO -0.60 0.25 -0.15 0.87 -2.02 0.00 0.00 178.31 176.66 1irv h LYS 11 N 0.72 -0.40 0.00 1.11 1.79 -0.89 0.45 116.57 119.34 1irv h LYS 11 Ca 0.47 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 1irv h LYS 11 Cb 0.62 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1irv h LYS 11 CO -0.33 -0.27 0.17 1.79 -1.08 0.00 0.00 179.45 179.73 1irv h THR 12 N -0.43 0.00 0.00 -0.16 1.35 -0.53 -3.17 112.91 109.97 1irv h THR 12 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1irv h THR 12 Cb 0.32 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1irv h THR 12 CO 0.07 0.00 -0.64 0.54 -0.25 0.00 0.00 175.52 175.24 1irv n ARG 13 N -2.27 2.05 0.00 4.72 5.12 0.44 -4.93 116.66 121.79 1irv n ARG 13 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1irv n ARG 13 Cb 0.20 -0.80 0.00 0.00 -1.16 0.00 0.00 32.46 30.70 1irv n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1irv h LEU 15 N 0.00 0.56 -0.88 0.00 5.85 -1.17 -0.81 115.31 118.85 1irv h LEU 15 Ca 0.00 -0.22 0.25 0.00 0.84 0.00 0.00 57.88 58.75 1irv h LEU 15 Cb 0.49 -0.16 -0.16 0.00 0.37 0.00 0.00 40.66 41.20 1irv h LEU 15 CO 0.00 0.86 0.06 1.67 -0.34 0.00 0.00 178.44 180.69 1irv n GLN 16 N -4.07 -0.07 -0.03 1.25 7.27 -1.26 -1.88 117.38 118.60 1irv n GLN 16 Ca -0.01 1.31 0.01 0.00 0.07 0.00 0.00 57.00 58.37 1irv n GLN 16 Cb 0.47 -2.10 0.01 0.00 2.41 0.00 0.00 30.24 31.03 1irv n GLN 16 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1irv s HIS 18 N -0.64 -0.41 0.08 0.00 3.76 -0.34 0.15 115.29 117.88 1irv s HIS 18 Ca 0.02 0.51 0.10 0.00 -0.15 0.00 0.00 55.06 55.54 1irv s HIS 18 Cb 0.01 0.31 -0.03 0.00 1.11 0.00 0.00 32.58 33.98 1irv s HIS 18 CO 0.00 -0.60 -0.26 0.95 -0.85 0.00 0.00 174.74 173.98 1irv s THR 19 N -2.14 2.26 -0.14 1.30 -4.23 -1.26 -3.94 115.64 107.48 1irv s THR 19 Ca -0.07 -1.52 0.10 0.00 -1.18 0.00 0.00 61.69 59.02 1irv s THR 19 Cb -0.01 -1.94 -0.16 0.00 1.34 0.00 0.00 72.50 71.74 1irv s THR 19 CO 0.01 0.25 0.01 1.33 -0.54 0.00 0.00 174.62 175.67 1irv n VAL 20 N 1.39 0.94 -2.09 2.29 0.24 -1.26 0.13 118.33 119.98 1irv n VAL 20 Ca -0.17 -0.54 -0.33 0.00 -2.04 0.00 0.00 64.34 61.26 1irv n VAL 20 Cb 0.52 -0.74 0.01 0.00 -1.47 0.00 0.00 33.84 32.17 1irv n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1irv s GLU 21 N -2.33 3.29 0.09 7.34 1.03 -1.26 -2.78 118.70 124.08 1irv s GLU 21 Ca -0.10 1.31 -0.31 0.00 0.03 0.00 0.00 54.97 55.90 1irv s GLU 21 Cb 0.04 -2.02 -0.08 0.00 -0.80 0.00 0.00 34.13 31.27 1irv s GLU 21 CO 0.52 -0.85 1.57 -1.59 -1.33 0.00 0.00 175.26 173.59 1irv s LYS 22 N -3.87 4.22 0.00 -4.83 0.00 -1.26 -1.82 119.74 112.19 1irv s LYS 22 Ca 0.66 2.27 0.00 0.00 0.00 0.00 0.00 55.97 58.90 1irv s LYS 22 Cb -0.18 -3.45 0.00 0.00 0.00 0.00 0.00 37.83 34.21 1irv s LYS 22 CO 0.34 -0.65 0.00 0.41 0.00 0.00 0.00 175.35 175.45 1irv n GLY 23 N 3.84 0.67 3.94 0.59 0.00 -1.26 -5.05 105.19 107.92 1irv n GLY 23 Ca 0.15 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1irv n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1irv s GLY 24 N -2.14 1.52 0.44 -0.02 0.00 -0.75 -5.09 107.32 101.28 1irv s GLY 24 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 44.72 43.82 1irv s GLY 24 CO 0.00 -0.83 0.69 2.56 0.00 0.00 0.00 173.10 175.52 1irv s PRO 25 N -3.88 3.34 0.54 2.90 0.04 -1.26 -4.88 135.00 131.80 1irv s PRO 25 Ca 0.39 -0.17 -0.17 0.00 0.04 0.00 0.00 61.00 61.09 1irv s PRO 25 Cb -0.10 -2.50 -0.06 0.00 0.04 0.00 0.00 34.50 31.87 1irv s PRO 25 CO 0.32 -0.16 1.02 -1.01 0.04 0.00 0.00 177.00 177.21 1irv s HIS 26 N -2.58 3.20 0.00 0.56 3.76 -1.26 -4.47 115.29 114.49 1irv s HIS 26 Ca 0.46 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.88 1irv s HIS 26 Cb -0.10 -2.92 0.00 0.00 1.11 0.00 0.00 32.58 30.67 1irv s HIS 26 CO 0.40 -0.71 0.00 1.63 -0.85 0.00 0.00 174.74 175.21 1irv n LYS 27 N -1.61 1.47 0.03 1.40 5.02 -1.26 -4.97 118.16 118.24 1irv n LYS 27 Ca 0.08 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.25 1irv n LYS 27 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.49 1irv n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1irv h VAL 28 N 0.00 0.25 -1.71 -0.18 2.07 -1.84 -3.40 116.25 111.44 1irv h VAL 28 Ca 0.00 0.00 -0.43 0.00 0.82 0.00 0.00 66.70 67.09 1irv h VAL 28 Cb 0.00 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1irv h VAL 28 CO 0.00 0.00 -0.31 -0.83 0.02 0.00 0.00 177.57 176.45 1irv s GLY 29 N -2.56 1.71 1.07 2.17 0.00 0.39 -5.06 107.32 105.04 1irv s GLY 29 Ca -0.15 -1.52 -0.12 0.00 0.00 0.00 0.00 44.72 42.93 1irv s GLY 29 CO 0.65 -1.40 1.03 -1.05 0.00 0.00 0.00 173.10 172.33 1irv n PRO 30 N -1.72 -1.65 -2.74 2.90 -0.02 -1.26 -4.54 135.00 125.97 1irv n PRO 30 Ca 0.02 -0.44 -0.37 0.00 -2.02 0.00 0.00 63.50 60.70 1irv n PRO 30 Cb 0.58 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 1irv n PRO 30 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1irv s ASN 31 N -2.47 7.26 0.13 2.55 3.84 -1.26 -4.49 114.94 120.49 1irv s ASN 31 Ca 0.68 1.87 0.23 0.00 0.21 0.00 0.00 52.86 55.85 1irv s ASN 31 Cb -0.24 -2.58 0.16 0.00 -0.55 0.00 0.00 41.25 38.04 1irv s ASN 31 CO 0.62 -0.13 1.16 0.18 -2.79 0.00 0.00 177.10 176.15 1irv n LEU 32 N 0.48 0.72 -4.56 3.21 4.77 0.34 -4.93 117.00 117.03 1irv n LEU 32 Ca 0.02 0.21 -0.52 0.00 -0.03 0.00 0.00 56.01 55.69 1irv n LEU 32 Cb 0.50 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1irv n LEU 32 CO 0.45 -0.08 0.72 1.57 -1.33 0.00 0.00 177.39 178.71 1irv n HIS 33 N -2.26 1.16 -3.37 -1.77 -0.00 -1.12 -0.64 115.22 107.22 1irv n HIS 33 Ca 0.02 0.75 -0.23 0.00 0.46 0.00 0.00 57.72 58.72 1irv n HIS 33 Cb 0.48 -2.25 0.06 0.00 -0.12 0.00 0.00 29.99 28.16 1irv n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1irv n GLY 34 N 2.10 -0.50 0.14 1.57 0.00 -0.71 -4.97 105.19 102.82 1irv n GLY 34 Ca 0.17 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 1irv n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1irv h ILE 35 N -2.20 0.84 -3.68 -0.61 6.09 -1.05 -3.39 117.51 113.51 1irv h ILE 35 Ca -0.54 -0.16 -0.52 0.00 -1.37 0.00 0.00 64.86 62.26 1irv h ILE 35 Cb 1.36 0.94 0.05 0.00 0.47 0.00 0.00 36.82 39.64 1irv h ILE 35 CO 0.55 0.04 0.65 -0.36 -3.07 0.00 0.00 178.15 175.96 1irv s PHE 36 N -5.82 3.12 0.00 2.19 0.08 -1.26 0.41 117.98 116.69 1irv s PHE 36 Ca -0.15 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.23 1irv s PHE 36 Cb 0.05 -3.67 0.00 0.00 -0.57 0.00 0.00 43.02 38.83 1irv s PHE 36 CO 0.64 -1.93 0.00 0.41 -0.10 0.00 0.00 175.22 174.24 1irv n GLY 37 N 1.40 2.32 3.83 4.36 0.00 1.47 -4.98 105.19 113.58 1irv n GLY 37 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1irv n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1irv s ARG 38 N -0.38 4.07 0.27 1.61 3.52 0.16 -4.75 118.95 123.47 1irv s ARG 38 Ca 0.00 0.60 -0.19 0.00 -0.13 0.00 0.00 55.73 56.01 1irv s ARG 38 Cb 0.00 -3.11 -0.09 0.00 -1.56 0.00 0.00 34.95 30.20 1irv s ARG 38 CO 0.00 0.58 0.76 -1.01 -0.81 0.00 0.00 175.30 174.82 1irv s HIS 39 N -1.26 3.55 0.26 5.12 3.76 -1.26 -1.57 115.29 123.88 1irv s HIS 39 Ca 0.32 1.39 -0.30 0.00 -0.15 0.00 0.00 55.06 56.32 1irv s HIS 39 Cb -0.17 -2.64 -0.14 0.00 1.11 0.00 0.00 32.58 30.74 1irv s HIS 39 CO 0.18 0.22 1.28 -1.13 -0.85 0.00 0.00 174.74 174.45 1irv n SER 40 N 0.29 2.31 -3.57 1.40 3.41 0.12 -3.66 113.62 113.91 1irv n SER 40 Ca 0.00 1.16 -0.21 0.00 -0.26 0.00 0.00 58.87 59.57 1irv n SER 40 Cb 0.52 -1.38 0.05 0.00 -0.26 0.00 0.00 64.21 63.13 1irv n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1irv n GLY 41 N 1.72 -0.55 0.00 5.00 0.00 -1.26 -4.64 105.19 105.46 1irv n GLY 41 Ca 0.10 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1irv n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1irv n GLN 42 N -4.06 1.06 -2.40 1.61 1.13 -1.24 -4.87 117.38 108.61 1irv n GLN 42 Ca -0.23 -0.90 -0.42 0.00 -1.94 0.00 0.00 57.00 53.51 1irv n GLN 42 Cb 0.65 -0.88 -0.03 0.00 0.11 0.00 0.00 30.24 30.10 1irv n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1irv s ALA 43 N -0.45 3.42 0.17 -1.58 0.00 -1.26 -4.99 121.76 117.07 1irv s ALA 43 Ca 0.00 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1irv s ALA 43 Cb 0.00 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 1irv s ALA 43 CO 0.00 -0.39 1.01 -1.83 0.00 0.00 0.00 175.76 174.56 1irv s GLU 44 N 0.33 4.70 0.00 0.00 -1.05 -1.26 -3.40 118.70 118.02 1irv s GLU 44 Ca 0.55 1.57 0.00 0.00 -0.15 0.00 0.00 54.97 56.95 1irv s GLU 44 Cb -0.31 -3.31 0.00 0.00 -0.44 0.00 0.00 34.13 30.07 1irv s GLU 44 CO 0.33 0.24 0.00 0.41 0.95 0.00 0.00 175.26 177.19 1irv n GLY 45 N 1.93 0.82 3.15 -3.83 0.00 -1.26 -5.08 105.19 100.93 1irv n GLY 45 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1irv n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1irv s TYR 46 N -2.10 1.56 -0.49 1.61 5.04 -1.22 -5.03 117.35 116.72 1irv s TYR 46 Ca 0.00 -0.33 -0.15 0.00 -2.44 0.00 0.00 57.07 54.15 1irv s TYR 46 Cb 0.00 -1.02 0.10 0.00 0.35 0.00 0.00 41.96 41.39 1irv s TYR 46 CO 0.00 -0.06 0.43 0.45 -1.34 0.00 0.00 175.55 175.03 1irv s SER 47 N -0.29 6.13 -0.12 4.32 0.15 -1.26 -4.92 113.70 117.71 1irv s SER 47 Ca 0.04 -1.52 -0.08 0.00 0.70 0.00 0.00 55.95 55.09 1irv s SER 47 Cb -0.08 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1irv s SER 47 CO -0.00 -0.72 0.16 -0.31 1.20 0.00 0.00 173.24 173.57 1irv s TYR 48 N 1.61 3.59 0.85 3.44 2.02 -1.26 -5.04 117.35 122.56 1irv s TYR 48 Ca 0.04 0.55 -0.16 0.00 -0.37 0.00 0.00 57.07 57.13 1irv s TYR 48 Cb -0.26 -2.00 -0.14 0.00 -0.40 0.00 0.00 41.96 39.16 1irv s TYR 48 CO 0.05 0.68 -0.65 0.25 -1.57 0.00 0.00 175.55 174.31 1irv n THR 49 N 2.15 0.00 0.16 -0.71 -2.24 -1.26 -4.68 114.28 107.69 1irv n THR 49 Ca -0.19 -0.46 0.03 0.00 -2.27 0.00 0.00 64.05 61.16 1irv n THR 49 Cb 0.54 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.92 1irv n THR 49 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1irv h ASP 50 N -0.78 0.00 0.75 3.42 -0.00 -1.96 -2.76 116.42 115.10 1irv h ASP 50 Ca -0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 56.59 1irv h ASP 50 Cb 1.22 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 40.56 1irv h ASP 50 CO 0.24 0.48 -0.36 0.00 -0.00 0.00 0.00 179.24 179.59 1irv h ALA 51 N 1.52 -1.01 0.28 -0.78 0.00 -1.87 -2.20 119.26 115.19 1irv h ALA 51 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1irv h ALA 51 Cb 1.21 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1irv h ALA 51 CO 0.06 -1.07 -0.36 -0.97 0.00 0.00 0.00 179.25 176.92 1irv h ASN 52 N -1.02 -1.01 -0.98 0.00 -0.73 -1.86 -2.93 115.58 107.04 1irv h ASN 52 Ca -0.10 0.09 0.34 0.00 1.87 0.00 0.00 56.30 58.49 1irv h ASN 52 Cb 0.78 0.35 -0.18 0.00 0.27 0.00 0.00 38.32 39.54 1irv h ASN 52 CO 0.17 -0.45 0.26 -0.38 -0.37 0.00 0.00 177.43 176.67 1irv n ILE 53 N -4.54 -0.41 1.44 2.57 5.41 -1.04 -0.09 119.36 122.70 1irv n ILE 53 Ca -0.08 2.08 0.14 0.00 1.00 0.00 0.00 62.75 65.89 1irv n ILE 53 Cb 0.31 -3.19 0.49 0.00 -0.71 0.00 0.00 39.64 36.54 1irv n ILE 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1irv n LYS 54 N -5.35 1.71 0.20 0.38 5.02 -0.83 -3.87 118.16 115.42 1irv n LYS 54 Ca 0.30 -1.04 0.08 0.00 -2.02 0.00 0.00 58.31 55.63 1irv n LYS 54 Cb 1.00 -1.47 0.31 0.00 -0.02 0.00 0.00 35.03 34.85 1irv n LYS 54 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1irv h LYS 55 N 2.48 0.00 -4.48 1.97 1.63 -0.31 -3.46 116.57 114.39 1irv h LYS 55 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1irv h LYS 55 Cb 0.53 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1irv h LYS 55 CO 0.00 0.29 -0.00 -1.71 -3.45 0.00 0.00 179.45 174.57 1irv n ASN 56 N -3.32 -0.87 -4.56 4.20 4.05 -1.25 -4.83 115.26 108.68 1irv n ASN 56 Ca 0.01 0.43 -0.45 0.00 0.45 0.00 0.00 54.58 55.01 1irv n ASN 56 Cb 0.53 -0.87 -0.02 0.00 1.23 0.00 0.00 39.78 40.65 1irv n ASN 56 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1irv n VAL 57 N -2.18 1.95 -3.59 3.44 0.31 -1.26 -4.57 118.33 112.43 1irv n VAL 57 Ca 0.00 -0.49 -0.40 0.00 -0.01 0.00 0.00 64.34 63.44 1irv n VAL 57 Cb 0.43 -0.83 -0.10 0.00 -0.91 0.00 0.00 33.84 32.44 1irv n VAL 57 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1irv s LEU 58 N 0.87 5.14 -0.55 7.52 1.43 -1.26 0.14 118.68 131.97 1irv s LEU 58 Ca 0.60 -1.45 -0.27 0.00 -1.03 0.00 0.00 54.13 51.98 1irv s LEU 58 Cb -0.74 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 43.47 1irv s LEU 58 CO 0.59 -0.53 1.65 0.26 0.23 0.00 0.00 176.35 178.55 1irv s TRP 59 N 1.45 1.96 -0.01 0.29 0.23 -0.61 -4.72 118.94 117.52 1irv s TRP 59 Ca 0.03 0.60 0.01 0.00 -2.03 0.00 0.00 56.10 54.71 1irv s TRP 59 Cb -0.23 -4.24 0.01 0.00 0.03 0.00 0.00 33.47 29.04 1irv s TRP 59 CO 0.03 -2.28 -0.02 0.16 0.96 0.00 0.00 176.95 175.79 1irv s ASP 60 N 6.10 0.39 0.14 2.95 1.47 -1.26 0.43 116.67 126.89 1irv s ASP 60 Ca 0.62 -0.05 0.09 0.00 1.18 0.00 0.00 52.55 54.39 1irv s ASP 60 Cb -0.13 -0.10 0.50 0.00 -0.34 0.00 0.00 42.92 42.85 1irv s ASP 60 CO 0.24 -0.00 0.56 -1.84 0.68 0.00 0.00 175.17 174.81 1irv n GLU 61 N 3.35 -0.02 0.03 2.11 0.28 -1.26 0.22 120.64 125.34 1irv n GLU 61 Ca -0.17 0.48 -0.12 0.00 -0.16 0.00 0.00 57.16 57.18 1irv n GLU 61 Cb 0.56 -0.88 -0.09 0.00 1.43 0.00 0.00 31.44 32.46 1irv n GLU 61 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1irv h ASN 62 N 0.00 -0.11 0.17 -1.84 4.21 -1.96 -2.81 115.58 113.24 1irv h ASN 62 Ca 0.31 -0.43 0.01 0.00 1.21 0.00 0.00 56.30 57.40 1irv h ASN 62 Cb 0.88 0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 38.07 1irv h ASN 62 CO -0.24 0.42 -0.33 -1.13 -1.29 0.00 0.00 177.43 174.86 1irv h ASN 63 N -0.68 -0.95 -0.01 5.81 -0.73 0.23 -3.00 115.58 116.26 1irv h ASN 63 Ca -0.01 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1irv h ASN 63 Cb 0.53 0.35 -0.00 0.00 0.27 0.00 0.00 38.32 39.48 1irv h ASN 63 CO 0.02 -0.43 0.06 -0.03 -0.37 0.00 0.00 177.43 176.68 1irv h MET 64 N -0.59 0.00 0.06 6.67 4.05 -1.33 -2.24 114.93 121.55 1irv h MET 64 Ca 0.02 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.29 1irv h MET 64 Cb 0.60 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.40 1irv h MET 64 CO -0.16 0.00 -0.74 1.03 0.23 0.00 0.00 176.91 177.26 1irv h SER 65 N 0.00 0.20 -0.47 1.39 0.87 -1.34 -1.94 113.55 112.26 1irv h SER 65 Ca 0.00 -0.87 0.09 0.00 -1.23 0.00 0.00 61.79 59.78 1irv h SER 65 Cb 0.12 -0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 61.93 1irv h SER 65 CO -0.00 1.32 -0.03 -0.08 -0.53 0.00 0.00 176.83 177.51 1irv h GLU 66 N -0.68 0.08 -0.09 2.24 4.57 -1.51 -2.20 114.58 116.97 1irv h GLU 66 Ca -0.16 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.04 1irv h GLU 66 Cb 1.39 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.93 1irv h GLU 66 CO 0.02 0.05 -0.11 -0.92 -1.18 0.00 0.00 179.01 176.87 1irv h TYR 67 N 0.08 -0.27 0.00 0.92 -0.00 -1.49 -2.01 116.97 114.20 1irv h TYR 67 Ca 0.23 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.98 1irv h TYR 67 Cb 0.35 0.13 0.00 0.00 -0.00 0.00 0.00 36.73 37.22 1irv h TYR 67 CO -0.33 -0.16 0.00 1.28 -0.00 0.00 0.00 178.16 178.95 1irv n LEU 68 N -5.25 0.03 -0.19 2.82 4.77 -0.73 -2.29 117.00 116.16 1irv n LEU 68 Ca -0.04 0.51 -0.08 0.00 -0.03 0.00 0.00 56.01 56.37 1irv n LEU 68 Cb 0.17 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1irv n LEU 68 CO 0.25 -0.22 0.98 0.74 -1.33 0.00 0.00 177.39 177.81 1irv h THR 69 N 0.00 1.21 0.00 -5.08 2.02 -0.74 0.70 112.91 111.02 1irv h THR 69 Ca 0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1irv h THR 69 Cb 0.30 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1irv h THR 69 CO 0.00 0.25 0.00 -3.20 0.37 0.00 0.00 175.52 172.94 1irv n ASN 70 N -4.53 0.00 -0.95 4.18 2.85 -1.15 -3.69 115.26 111.97 1irv n ASN 70 Ca 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1irv n ASN 70 Cb 0.15 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.17 1irv n ASN 70 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1irv n PRO 71 N 0.00 0.11 0.00 1.20 -0.04 -0.97 -2.07 135.00 133.23 1irv n PRO 71 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1irv n PRO 71 Cb 0.00 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1irv n PRO 71 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1irv n LYS 73 N 0.89 0.00 0.15 0.54 3.00 -1.26 0.32 118.16 121.81 1irv n LYS 73 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1irv n LYS 73 Cb 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.00 1irv n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1irv h TYR 74 N 0.00 -0.32 -2.88 5.64 3.20 -1.77 -3.39 116.97 117.45 1irv h TYR 74 Ca 0.00 -0.01 -0.57 0.00 3.14 0.00 0.00 58.73 61.29 1irv h TYR 74 Cb 0.00 0.11 -0.40 0.00 1.54 0.00 0.00 36.73 37.98 1irv h TYR 74 CO 0.00 -0.07 -0.78 0.00 -1.64 0.00 0.00 178.16 175.67 1irv s MET 75 N -5.34 0.63 -0.04 1.82 0.23 0.98 -5.09 119.30 112.49 1irv s MET 75 Ca -0.15 -1.17 -0.30 0.00 -1.03 0.00 0.00 55.69 53.05 1irv s MET 75 Cb 0.03 -1.65 -0.05 0.00 -1.53 0.00 0.00 34.83 31.63 1irv s MET 75 CO 0.61 -1.09 1.47 -2.14 -2.03 0.00 0.00 175.02 171.85 1irv s PRO 76 N 1.37 4.23 0.00 3.16 0.02 -1.26 -3.17 135.00 139.35 1irv s PRO 76 Ca 0.13 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1irv s PRO 76 Cb -0.20 -3.74 0.00 0.00 0.02 0.00 0.00 34.50 30.58 1irv s PRO 76 CO -0.17 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 1irv n GLY 77 N 3.82 1.05 3.77 0.52 0.00 -1.26 -4.81 105.19 108.28 1irv n GLY 77 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1irv n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1irv s THR 78 N -2.00 2.41 -0.52 2.61 -1.32 -1.19 -4.57 115.64 111.06 1irv s THR 78 Ca 0.00 0.41 -0.02 0.00 -1.21 0.00 0.00 61.69 60.87 1irv s THR 78 Cb 0.00 -3.26 0.25 0.00 -1.51 0.00 0.00 72.50 67.98 1irv s THR 78 CO 0.00 0.10 2.23 2.29 -2.21 0.00 0.00 174.62 177.03 1irv n LYS 79 N 0.63 2.32 -2.95 7.08 2.85 -1.26 -4.81 118.16 122.02 1irv n LYS 79 Ca 0.00 -2.49 -0.42 0.00 -1.05 0.00 0.00 58.31 54.35 1irv n LYS 79 Cb 0.41 -2.02 -0.05 0.00 -0.65 0.00 0.00 35.03 32.71 1irv n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1irv s MET 80 N -2.62 3.77 -1.51 -1.58 1.75 -1.26 -4.89 119.30 112.96 1irv s MET 80 Ca 0.50 0.34 -0.08 0.00 -1.25 0.00 0.00 55.69 55.20 1irv s MET 80 Cb 0.38 -3.80 -0.01 0.00 2.84 0.00 0.00 34.83 34.23 1irv s MET 80 CO -0.13 -0.84 2.75 0.00 -0.65 0.00 0.00 175.02 176.15 1irv n ALA 81 N 6.41 7.30 -3.68 4.11 0.00 -1.26 -4.85 120.51 128.54 1irv n ALA 81 Ca 0.03 -3.74 -0.21 0.00 0.00 0.00 0.00 53.44 49.52 1irv n ALA 81 Cb 0.48 -3.15 -0.18 0.00 0.00 0.00 0.00 19.45 16.60 1irv n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1irv s PHE 82 N 0.92 0.18 0.27 0.00 2.19 -1.26 -5.03 117.98 115.25 1irv s PHE 82 Ca 0.64 0.09 0.02 0.00 0.33 0.00 0.00 56.93 58.01 1irv s PHE 82 Cb 0.18 -0.57 0.36 0.00 -1.31 0.00 0.00 43.02 41.69 1irv s PHE 82 CO -0.07 -0.27 1.69 0.78 1.83 0.00 0.00 175.22 179.18 1irv h GLY 83 N 8.42 0.52 0.00 13.12 0.00 -1.94 -3.38 103.07 119.81 1irv h GLY 83 Ca -0.14 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1irv h GLY 83 CO 0.19 0.41 0.00 0.61 0.00 0.00 0.00 176.54 177.75 1irv n GLY 84 N -0.27 2.31 3.24 4.60 0.00 -1.26 -4.06 105.19 109.75 1irv n GLY 84 Ca -0.01 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 1irv n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1irv s LEU 85 N 0.00 5.23 0.22 0.99 1.43 0.24 -4.96 118.68 121.84 1irv s LEU 85 Ca 0.00 -1.64 0.03 0.00 -1.03 0.00 0.00 54.13 51.49 1irv s LEU 85 Cb 0.00 -1.96 0.19 0.00 0.03 0.00 0.00 46.19 44.45 1irv s LEU 85 CO 0.00 -0.56 1.52 0.11 0.23 0.00 0.00 176.35 177.65 1irv h LYS 86 N 8.36 0.28 -5.55 1.70 1.57 -1.84 -3.34 116.57 117.76 1irv h LYS 86 Ca -0.21 -0.21 -0.61 0.00 -1.87 0.00 0.00 60.65 57.75 1irv h LYS 86 Cb 1.08 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 33.31 1irv h LYS 86 CO 0.76 0.83 0.20 0.15 -0.57 0.00 0.00 179.45 180.82 1irv s LYS 87 N -3.71 4.01 0.28 3.15 3.01 -1.26 -5.00 119.74 120.23 1irv s LYS 87 Ca -0.04 0.47 0.00 0.00 -1.01 0.00 0.00 55.97 55.40 1irv s LYS 87 Cb 0.12 -3.69 0.67 0.00 -1.01 0.00 0.00 37.83 33.92 1irv s LYS 87 CO 0.81 -0.51 1.63 1.49 0.51 0.00 0.00 175.35 179.28 1irv h GLU 88 N 8.03 0.15 0.34 1.68 4.81 -2.00 -2.19 114.58 125.40 1irv h GLU 88 Ca -0.26 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1irv h GLU 88 Cb 1.12 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1irv h GLU 88 CO 0.80 0.10 -0.16 1.57 -0.73 0.00 0.00 179.01 180.59 1irv h LYS 89 N 0.16 -0.44 -0.41 1.92 5.09 -1.98 0.65 116.57 121.56 1irv h LYS 89 Ca 0.53 0.03 0.08 0.00 0.09 0.00 0.00 60.65 61.39 1irv h LYS 89 Cb 1.07 0.10 -0.08 0.00 0.10 0.00 0.00 32.23 33.42 1irv h LYS 89 CO -0.69 -0.19 -0.12 -0.44 -2.09 0.00 0.00 179.45 175.91 1irv h ASP 90 N -0.64 -0.45 -1.00 7.07 5.19 -1.84 1.08 116.42 125.84 1irv h ASP 90 Ca -0.05 0.13 0.10 0.00 -0.62 0.00 0.00 57.03 56.59 1irv h ASP 90 Cb 0.46 0.28 -0.08 0.00 0.18 0.00 0.00 39.33 40.17 1irv h ASP 90 CO 0.08 -0.16 0.64 0.03 -3.12 0.00 0.00 179.24 176.71 1irv h ARG 91 N -0.03 1.03 -0.28 3.56 3.08 -1.48 1.11 114.38 121.37 1irv h ARG 91 Ca 0.20 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 1irv h ARG 91 Cb 0.33 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1irv h ARG 91 CO -0.44 0.68 -0.11 -0.91 -1.07 0.00 0.00 179.97 178.13 1irv h ASN 92 N 1.06 0.58 -0.05 7.04 2.35 0.28 -2.41 115.58 124.43 1irv h ASN 92 Ca 0.47 -0.39 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1irv h ASN 92 Cb 0.36 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 1irv h ASN 92 CO -0.23 0.84 -0.37 0.44 -1.65 0.00 0.00 177.43 176.46 1irv h ASP 93 N 0.31 -1.16 -0.38 5.81 3.32 0.23 -1.69 116.42 122.85 1irv h ASP 93 Ca 0.07 0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.33 1irv h ASP 93 Cb 0.61 0.45 -0.09 0.00 0.22 0.00 0.00 39.33 40.52 1irv h ASP 93 CO 0.04 -0.34 -0.23 0.25 -1.72 0.00 0.00 179.24 177.23 1irv h LEU 94 N -0.43 -0.78 -0.57 1.55 5.85 0.13 0.12 115.31 121.19 1irv h LEU 94 Ca 0.02 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1irv h LEU 94 Cb 0.48 0.40 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1irv h LEU 94 CO -0.28 -0.26 0.00 -0.38 -0.34 0.00 0.00 178.44 177.19 1irv n ILE 95 N -5.39 0.88 0.04 4.05 5.41 -0.92 0.13 119.36 123.57 1irv n ILE 95 Ca 0.02 0.25 -0.20 0.00 1.00 0.00 0.00 62.75 63.82 1irv n ILE 95 Cb 0.30 -1.15 -0.11 0.00 -0.71 0.00 0.00 39.64 37.97 1irv n ILE 95 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1irv h THR 96 N 0.00 1.29 0.51 1.39 2.02 0.17 0.15 112.91 118.43 1irv h THR 96 Ca 0.00 -2.23 -0.02 0.00 0.77 0.00 0.00 66.41 64.93 1irv h THR 96 Cb 0.32 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1irv h THR 96 CO 0.00 0.69 -0.26 0.22 0.37 0.00 0.00 175.52 176.54 1irv h TYR 97 N 0.36 -0.67 -0.98 3.16 3.20 0.39 -0.17 116.97 122.26 1irv h TYR 97 Ca -0.13 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 61.94 1irv h TYR 97 Cb 1.67 0.23 -0.09 0.00 1.54 0.00 0.00 36.73 40.07 1irv h TYR 97 CO 0.11 -0.41 0.62 -0.07 -1.64 0.00 0.00 178.16 176.77 1irv h LEU 98 N -0.70 0.57 -1.12 2.82 3.38 0.95 0.89 115.31 122.10 1irv h LEU 98 Ca -0.07 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1irv h LEU 98 Cb 0.54 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1irv h LEU 98 CO 0.11 0.19 -0.26 0.50 0.09 0.00 0.00 178.44 179.06 1irv h LYS 99 N 0.55 0.00 0.00 1.13 3.64 -0.21 -2.57 116.57 119.11 1irv h LYS 99 Ca 0.55 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.86 1irv h LYS 99 Cb 1.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1irv h LYS 99 CO -0.29 0.26 -0.51 1.57 -2.27 0.00 0.00 179.45 178.21 1irv h LYS 100 N 0.00 0.00 -0.34 1.90 2.10 0.24 -3.38 116.57 117.09 1irv h LYS 100 Ca -0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1irv h LYS 100 Cb 0.76 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.07 1irv h LYS 100 CO 0.03 0.49 -0.07 0.00 -2.00 0.00 0.00 179.45 177.91 1irv h ALA 101 N -0.65 1.26 -0.10 0.07 0.00 -0.36 -2.98 119.26 116.49 1irv h ALA 101 Ca -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1irv h ALA 101 Cb 0.73 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1irv h ALA 101 CO -0.06 0.49 0.00 0.25 0.00 0.00 0.00 179.25 179.93 1irv n THR 102 N -4.23 0.19 1.29 0.00 -2.24 -0.97 -4.65 114.28 103.67 1irv n THR 102 Ca 0.01 -0.15 0.13 0.00 -2.27 0.00 0.00 64.05 61.77 1irv n THR 102 Cb 0.30 -0.03 0.35 0.00 -2.10 0.00 0.00 70.33 68.84 1irv n THR 102 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71