#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4fit s PHE 3 N 0.00 2.73 -0.13 0.00 0.40 -0.01 -4.95 117.98 116.03 4fit s PHE 3 Ca 0.00 -0.13 -0.18 0.00 -0.60 0.00 0.00 56.93 56.02 4fit s PHE 3 Cb 0.00 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 4fit s PHE 3 CO 0.00 0.21 0.47 0.50 0.70 0.00 0.00 175.22 177.10 4fit s ARG 4 N -0.74 4.33 -0.34 0.44 3.52 -1.26 0.23 118.95 125.13 4fit s ARG 4 Ca 0.11 0.44 -0.00 0.00 -0.13 0.00 0.00 55.73 56.15 4fit s ARG 4 Cb -0.11 -3.45 0.13 0.00 -1.56 0.00 0.00 34.95 29.97 4fit s ARG 4 CO 0.01 0.13 0.22 0.12 -0.81 0.00 0.00 175.30 174.97 4fit s PHE 5 N 0.71 0.45 0.00 5.12 5.36 -0.89 -4.86 117.98 123.87 4fit s PHE 5 Ca 0.25 -1.31 0.00 0.00 -0.96 0.00 0.00 56.93 54.91 4fit s PHE 5 Cb -0.15 -0.82 0.00 0.00 -0.34 0.00 0.00 43.02 41.71 4fit s PHE 5 CO 0.10 -0.85 0.00 0.41 -1.46 0.00 0.00 175.22 173.42 4fit n GLY 6 N 4.35 2.79 2.65 13.12 0.00 -1.26 -2.96 105.19 123.88 4fit n GLY 6 Ca 0.08 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 4fit n GLY 6 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 4fit n GLN 7 N 12.21 2.48 -3.78 1.61 1.13 -1.26 -4.99 117.38 124.77 4fit n GLN 7 Ca 0.00 -4.40 -0.12 0.00 -1.94 0.00 0.00 57.00 50.54 4fit n GLN 7 Cb 0.00 -2.06 -0.08 0.00 0.11 0.00 0.00 30.24 28.21 4fit n GLN 7 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 4fit s HIS 8 N -2.97 -0.08 -0.24 1.08 3.76 -1.16 -5.14 115.29 110.55 4fit s HIS 8 Ca 0.45 -0.02 0.02 0.00 -0.15 0.00 0.00 55.06 55.36 4fit s HIS 8 Cb 0.27 0.06 0.06 0.00 1.11 0.00 0.00 32.58 34.08 4fit s HIS 8 CO -0.11 -0.45 -0.09 -0.51 -0.85 0.00 0.00 174.74 172.73 4fit s LEU 9 N -1.87 2.94 0.28 0.89 1.43 -1.26 -2.10 118.68 118.98 4fit s LEU 9 Ca -0.07 -1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 51.51 4fit s LEU 9 Cb -0.02 -1.38 -0.09 0.00 0.03 0.00 0.00 46.19 44.73 4fit s LEU 9 CO -0.02 -0.19 1.02 -0.63 0.23 0.00 0.00 176.35 176.76 4fit s ILE 10 N 1.25 3.79 0.01 -0.59 -1.09 0.14 -4.62 121.20 120.09 4fit s ILE 10 Ca -0.06 1.74 -0.15 0.00 -2.23 0.00 0.00 60.65 59.95 4fit s ILE 10 Cb -0.19 -4.09 -0.06 0.00 -1.58 0.00 0.00 42.46 36.55 4fit s ILE 10 CO -0.06 0.37 0.43 -0.54 -1.23 0.00 0.00 174.94 173.91 4fit s LYS 11 N -1.47 3.97 0.64 2.79 1.02 -1.26 0.21 119.74 125.63 4fit s LYS 11 Ca 0.45 0.46 0.27 0.00 0.02 0.00 0.00 55.97 57.16 4fit s LYS 11 Cb -0.28 -3.23 1.40 0.00 -0.52 0.00 0.00 37.83 35.20 4fit s LYS 11 CO 0.35 0.67 1.80 -1.35 -0.92 0.00 0.00 175.35 175.90 4fit h PRO 12 N 4.73 0.00 -0.12 -1.68 0.11 -1.93 -0.62 132.00 132.49 4fit h PRO 12 Ca -0.51 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.63 4fit h PRO 12 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 4fit h PRO 12 CO 0.62 0.00 0.12 0.66 -0.21 0.00 0.00 178.00 179.19 4fit h SER 13 N 0.00 0.00 -0.01 -2.05 4.64 -1.96 -1.54 113.55 112.63 4fit h SER 13 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 4fit h SER 13 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 4fit h SER 13 CO -0.00 0.00 -0.19 1.33 -0.87 0.00 0.00 176.83 177.10 4fit n VAL 14 N -4.00 0.00 -3.44 0.95 0.24 -0.24 -4.31 118.33 107.53 4fit n VAL 14 Ca -0.00 -0.41 -0.39 0.00 -2.04 0.00 0.00 64.34 61.51 4fit n VAL 14 Cb 0.23 1.25 -0.09 0.00 -1.47 0.00 0.00 33.84 33.75 4fit n VAL 14 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 4fit s VAL 15 N -1.65 5.21 -2.01 3.34 1.01 -0.58 -2.26 120.40 123.47 4fit s VAL 15 Ca 0.15 0.48 0.17 0.00 0.00 0.00 0.00 61.98 62.78 4fit s VAL 15 Cb 0.13 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.96 4fit s VAL 15 CO 0.31 0.18 1.01 2.22 0.00 0.00 0.00 175.10 178.82 4fit n PHE 16 N 5.24 0.00 -3.61 5.22 1.16 -0.93 -4.93 117.46 119.61 4fit n PHE 16 Ca -0.10 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.34 4fit n PHE 16 Cb 0.51 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.31 4fit n PHE 16 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 4fit s LEU 17 N -1.50 -0.73 -0.16 5.98 2.96 -1.25 -4.25 118.68 119.74 4fit s LEU 17 Ca 0.19 1.33 -0.06 0.00 -0.22 0.00 0.00 54.13 55.36 4fit s LEU 17 Cb 0.14 2.46 0.07 0.00 0.50 0.00 0.00 46.19 49.36 4fit s LEU 17 CO 0.24 -0.30 0.34 -0.75 -1.32 0.00 0.00 176.35 174.56 4fit s LYS 18 N 0.14 0.24 0.00 1.98 2.20 -1.26 -1.32 119.74 121.73 4fit s LYS 18 Ca -0.02 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 4fit s LYS 18 Cb -0.04 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 4fit s LYS 18 CO 0.02 -0.25 0.00 0.25 -0.36 0.00 0.00 175.35 175.01 4fit n THR 19 N 5.15 0.00 0.07 3.43 -2.24 0.26 -4.96 114.28 115.99 4fit n THR 19 Ca -0.11 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.71 4fit n THR 19 Cb 0.50 -0.60 0.41 0.00 -2.10 0.00 0.00 70.33 68.55 4fit n THR 19 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 4fit h GLU 20 N 0.00 0.36 0.00 -0.78 4.81 -2.01 -3.34 114.58 113.62 4fit h GLU 20 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 4fit h GLU 20 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 4fit h GLU 20 CO 0.00 0.36 0.00 1.28 -0.73 0.00 0.00 179.01 179.92 4fit n LEU 21 N -4.37 0.12 -4.38 1.64 4.77 -1.26 -5.05 117.00 108.46 4fit n LEU 21 Ca 0.01 -0.16 -0.19 0.00 -0.03 0.00 0.00 56.01 55.64 4fit n LEU 21 Cb 0.17 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 4fit n LEU 21 CO 0.37 0.03 -0.24 -0.44 -1.33 0.00 0.00 177.39 175.78 4fit s SER 22 N -0.08 1.75 0.08 -1.43 0.01 -1.26 -1.05 113.70 111.73 4fit s SER 22 Ca 0.00 -1.45 -0.11 0.00 1.31 0.00 0.00 55.95 55.70 4fit s SER 22 Cb 0.00 0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.42 4fit s SER 22 CO 0.00 -0.75 0.25 0.72 0.41 0.00 0.00 173.24 173.87 4fit s PHE 23 N -3.54 0.02 -0.01 2.43 -0.71 -0.69 0.89 117.98 116.37 4fit s PHE 23 Ca 0.35 -0.35 0.03 0.00 -1.04 0.00 0.00 56.93 55.93 4fit s PHE 23 Cb 0.07 0.03 -0.01 0.00 -1.21 0.00 0.00 43.02 41.90 4fit s PHE 23 CO 0.15 -0.55 -0.11 0.00 -1.34 0.00 0.00 175.22 173.37 4fit s ALA 24 N -3.44 0.91 0.09 1.99 0.00 -0.43 -1.47 121.76 119.40 4fit s ALA 24 Ca 0.01 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.51 4fit s ALA 24 Cb 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 4fit s ALA 24 CO -0.09 0.22 -0.06 -0.48 0.00 0.00 0.00 175.76 175.35 4fit s LEU 25 N -0.28 2.49 0.27 0.00 2.34 -0.58 -2.20 118.68 120.72 4fit s LEU 25 Ca 0.04 -0.98 -0.15 0.00 0.06 0.00 0.00 54.13 53.10 4fit s LEU 25 Cb -0.04 -0.02 -0.08 0.00 -0.56 0.00 0.00 46.19 45.49 4fit s LEU 25 CO -0.00 -0.48 0.68 0.68 -1.06 0.00 0.00 176.35 176.16 4fit s VAL 26 N -3.57 4.73 -0.01 1.48 -7.23 -0.96 -1.86 120.40 112.99 4fit s VAL 26 Ca 0.10 0.90 -0.24 0.00 -1.81 0.00 0.00 61.98 60.93 4fit s VAL 26 Cb 0.05 -3.67 -0.05 0.00 0.56 0.00 0.00 36.38 33.27 4fit s VAL 26 CO -0.06 -0.04 0.74 0.21 -0.31 0.00 0.00 175.10 175.64 4fit s ASN 27 N -2.11 7.11 0.54 4.85 3.84 -1.24 -4.91 114.94 123.03 4fit s ASN 27 Ca 0.49 1.33 0.35 0.00 0.21 0.00 0.00 52.86 55.25 4fit s ASN 27 Cb -0.12 -2.44 1.66 0.00 -0.55 0.00 0.00 41.25 39.80 4fit s ASN 27 CO 0.19 -0.05 2.06 -0.09 -2.79 0.00 0.00 177.10 176.42 4fit h ARG 28 N 6.18 0.00 -0.78 0.43 2.43 -1.97 -3.30 114.38 117.37 4fit h ARG 28 Ca -0.43 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.39 4fit h ARG 28 Cb 1.20 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 30.52 4fit h ARG 28 CO 0.73 0.00 -0.73 1.63 -1.51 0.00 0.00 179.97 180.09 4fit n LYS 29 N -2.94 0.76 -1.57 0.20 5.02 -1.26 -1.90 118.16 116.46 4fit n LYS 29 Ca -0.01 -2.31 -0.40 0.00 -2.02 0.00 0.00 58.31 53.57 4fit n LYS 29 Cb 0.20 -1.37 0.03 0.00 -0.02 0.00 0.00 35.03 33.87 4fit n LYS 29 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 4fit n PRO 30 N 1.52 1.00 0.03 1.97 -0.04 -1.24 -4.88 135.00 133.36 4fit n PRO 30 Ca 0.14 0.37 -0.17 0.00 -0.04 0.00 0.00 63.50 63.79 4fit n PRO 30 Cb 0.59 -1.95 -0.07 0.00 -0.04 0.00 0.00 33.50 32.03 4fit n PRO 30 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 4fit h VAL 31 N 0.97 1.31 -4.32 0.52 2.07 -1.97 -3.46 116.25 111.36 4fit h VAL 31 Ca -0.45 -2.19 -0.27 0.00 0.82 0.00 0.00 66.70 64.61 4fit h VAL 31 Cb 1.36 2.24 -0.15 0.00 -1.52 0.00 0.00 31.29 33.22 4fit h VAL 31 CO 0.53 0.68 -0.62 0.68 0.02 0.00 0.00 177.57 178.85 4fit s VAL 32 N -3.47 0.19 0.30 2.57 -7.23 -1.26 -5.07 120.40 106.43 4fit s VAL 32 Ca -0.09 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 57.79 4fit s VAL 32 Cb 0.08 -2.49 -0.11 0.00 0.56 0.00 0.00 36.38 34.42 4fit s VAL 32 CO 0.90 -0.06 1.56 -2.84 -0.31 0.00 0.00 175.10 174.35 4fit s PRO 33 N -4.11 4.14 -0.03 4.82 0.02 -1.26 -1.93 135.00 136.65 4fit s PRO 33 Ca 0.37 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.93 4fit s PRO 33 Cb 0.07 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.57 4fit s PRO 33 CO 0.11 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 4fit n GLY 34 N 1.91 0.47 3.57 0.52 0.00 -1.26 -4.30 105.19 106.09 4fit n GLY 34 Ca 0.07 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 4fit n GLY 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 4fit s HIS 35 N -1.94 1.63 0.39 1.61 5.04 -0.81 -4.51 115.29 116.69 4fit s HIS 35 Ca 0.00 0.84 0.08 0.00 -1.54 0.00 0.00 55.06 54.44 4fit s HIS 35 Cb 0.00 -4.03 -0.06 0.00 0.04 0.00 0.00 32.58 28.52 4fit s HIS 35 CO 0.00 -2.55 0.07 0.14 -2.34 0.00 0.00 174.74 170.06 4fit s VAL 36 N 8.81 2.29 0.06 0.89 -7.23 -0.61 -3.61 120.40 120.99 4fit s VAL 36 Ca 0.75 -1.88 0.06 0.00 -1.81 0.00 0.00 61.98 59.10 4fit s VAL 36 Cb -0.16 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.82 4fit s VAL 36 CO 0.25 -0.06 -0.18 -0.76 -0.31 0.00 0.00 175.10 174.04 4fit s LEU 37 N -3.78 2.20 -0.13 1.32 1.43 -0.78 -0.72 118.68 118.23 4fit s LEU 37 Ca 0.37 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 4fit s LEU 37 Cb 0.05 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.50 4fit s LEU 37 CO 0.20 0.08 -0.12 -0.69 0.23 0.00 0.00 176.35 176.05 4fit s VAL 38 N -0.92 1.35 0.25 -1.59 1.01 -0.59 -1.53 120.40 118.38 4fit s VAL 38 Ca 0.04 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.59 4fit s VAL 38 Cb -0.09 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 4fit s VAL 38 CO 0.02 0.42 -0.10 0.00 0.00 0.00 0.00 175.10 175.45 4fit s PRO 40 N -3.69 4.23 0.13 0.00 0.04 -1.26 -1.70 135.00 132.75 4fit s PRO 40 Ca 0.27 0.90 -0.19 0.00 0.04 0.00 0.00 61.00 62.02 4fit s PRO 40 Cb 0.02 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 4fit s PRO 40 CO 0.10 0.27 1.75 -0.07 0.04 0.00 0.00 177.00 179.10 4fit h LEU 41 N 2.92 0.10 -9.36 -3.56 3.38 -1.39 -3.42 115.31 103.98 4fit h LEU 41 Ca -0.48 0.02 -0.54 0.00 0.09 0.00 0.00 57.88 56.98 4fit h LEU 41 Cb 1.19 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.96 4fit h LEU 41 CO 0.65 0.09 1.01 -0.60 0.09 0.00 0.00 178.44 179.68 4fit s ARG 42 N -6.17 4.20 -0.92 1.13 3.52 -1.26 -4.80 118.95 114.64 4fit s ARG 42 Ca -0.13 2.23 -0.24 0.00 -0.13 0.00 0.00 55.73 57.46 4fit s ARG 42 Cb 0.10 -3.76 -0.01 0.00 -1.56 0.00 0.00 34.95 29.72 4fit s ARG 42 CO 0.70 -0.76 1.74 -1.25 -0.81 0.00 0.00 175.30 174.91 4fit s PRO 43 N 3.18 2.96 0.06 5.12 0.04 -1.26 -4.93 135.00 140.17 4fit s PRO 43 Ca 0.73 -0.54 0.09 0.00 0.04 0.00 0.00 61.00 61.31 4fit s PRO 43 Cb -0.36 -5.10 -0.03 0.00 0.04 0.00 0.00 34.50 29.05 4fit s PRO 43 CO 0.31 -2.87 -0.25 0.14 0.04 0.00 0.00 177.00 174.36 4fit s VAL 44 N 8.00 2.05 0.10 -0.36 -7.23 -1.26 -5.05 120.40 116.66 4fit s VAL 44 Ca 0.60 -1.40 0.06 0.00 -1.81 0.00 0.00 61.98 59.43 4fit s VAL 44 Cb -0.05 -1.77 -0.22 0.00 0.56 0.00 0.00 36.38 34.91 4fit s VAL 44 CO -0.02 0.29 1.22 -0.08 -0.31 0.00 0.00 175.10 176.20 4fit h GLU 45 N 4.68 0.03 -5.77 4.82 4.81 -1.93 -0.77 114.58 120.46 4fit h GLU 45 Ca -0.46 -0.05 -0.55 0.00 -0.13 0.00 0.00 59.36 58.16 4fit h GLU 45 Cb 1.15 0.02 -0.28 0.00 0.63 0.00 0.00 28.75 30.27 4fit h GLU 45 CO 0.43 0.99 -0.83 1.03 -0.73 0.00 0.00 179.01 179.89 4fit s ARG 46 N -2.70 1.41 0.54 1.92 1.81 -1.26 -4.04 118.95 116.62 4fit s ARG 46 Ca -0.00 -0.72 0.26 0.00 -1.72 0.00 0.00 55.73 53.55 4fit s ARG 46 Cb 0.10 -1.40 1.41 0.00 -0.45 0.00 0.00 34.95 34.61 4fit s ARG 46 CO 0.83 0.37 2.00 0.35 -0.68 0.00 0.00 175.30 178.17 4fit h PHE 47 N 5.46 0.00 0.00 -0.53 3.57 -1.92 0.14 116.94 123.65 4fit h PHE 47 Ca -0.38 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.12 4fit h PHE 47 Cb 1.15 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.89 4fit h PHE 47 CO 0.43 0.00 0.00 -2.39 -2.23 0.00 0.00 178.31 174.12 4fit n HIS 48 N -4.32 0.00 0.58 0.41 1.44 -1.26 -3.18 115.22 108.88 4fit n HIS 48 Ca 0.09 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.93 4fit n HIS 48 Cb 0.60 -0.36 0.32 0.00 0.12 0.00 0.00 29.99 30.67 4fit n HIS 48 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 4fit h ASP 49 N 0.00 0.00 -3.51 4.39 3.32 -1.15 -3.46 116.42 116.01 4fit h ASP 49 Ca 0.00 -0.05 -0.52 0.00 0.02 0.00 0.00 57.03 56.47 4fit h ASP 49 Cb 0.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 4fit h ASP 49 CO 0.00 0.03 0.41 -0.76 -1.72 0.00 0.00 179.24 177.20 4fit s LEU 50 N -4.58 4.47 0.92 1.55 1.43 -1.19 -5.03 118.68 116.24 4fit s LEU 50 Ca 0.09 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 4fit s LEU 50 Cb 0.12 -3.59 0.14 0.00 0.03 0.00 0.00 46.19 42.89 4fit s LEU 50 CO 0.64 -0.18 1.09 -0.13 0.23 0.00 0.00 176.35 178.00 4fit s ARG 51 N 0.15 1.05 0.47 1.70 0.52 -1.26 -4.80 118.95 116.77 4fit s ARG 51 Ca 0.49 0.97 0.20 0.00 -0.52 0.00 0.00 55.73 56.87 4fit s ARG 51 Cb -0.25 -1.77 1.19 0.00 0.52 0.00 0.00 34.95 34.64 4fit s ARG 51 CO 0.31 -2.42 1.94 -1.35 0.02 0.00 0.00 175.30 173.79 4fit h PRO 52 N -1.69 0.25 -0.19 3.54 0.11 -1.98 -2.83 132.00 129.21 4fit h PRO 52 Ca -0.49 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.41 4fit h PRO 52 Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 4fit h PRO 52 CO 0.52 0.16 -0.65 0.38 -0.21 0.00 0.00 178.00 178.20 4fit h ASP 53 N 0.26 0.80 0.15 -2.05 2.03 -1.99 -1.96 116.42 113.66 4fit h ASP 53 Ca 0.34 -0.47 -0.03 0.00 -0.73 0.00 0.00 57.03 56.14 4fit h ASP 53 Cb 0.99 -0.23 -0.00 0.00 -0.83 0.00 0.00 39.33 39.25 4fit h ASP 53 CO -0.08 1.25 -0.15 -0.33 -1.03 0.00 0.00 179.24 178.90 4fit h GLU 54 N 0.51 0.01 -0.04 4.15 5.08 -1.85 0.11 114.58 122.55 4fit h GLU 54 Ca -0.01 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 4fit h GLU 54 Cb 1.24 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 4fit h GLU 54 CO 0.13 0.16 -0.19 0.28 -1.00 0.00 0.00 179.01 178.39 4fit h VAL 55 N 0.01 1.47 -0.66 3.13 2.07 -1.29 0.14 116.25 121.12 4fit h VAL 55 Ca 0.00 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 65.80 4fit h VAL 55 Cb 0.28 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 4fit h VAL 55 CO 0.02 0.46 0.24 0.00 0.02 0.00 0.00 177.57 178.32 4fit h ALA 56 N 0.38 1.18 0.00 1.67 0.00 -1.04 -2.06 119.26 119.39 4fit h ALA 56 Ca -0.01 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 4fit h ALA 56 Cb 0.86 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 4fit h ALA 56 CO 0.04 0.59 -0.77 0.22 0.00 0.00 0.00 179.25 179.33 4fit h ASP 57 N 0.96 0.00 0.03 0.00 1.82 -0.78 -1.24 116.42 117.21 4fit h ASP 57 Ca 0.22 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.86 4fit h ASP 57 Cb 0.22 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.23 4fit h ASP 57 CO -0.02 0.77 -0.01 0.25 -1.61 0.00 0.00 179.24 178.62 4fit h LEU 58 N 0.00 -0.03 0.00 2.28 5.85 -0.49 -3.02 115.31 119.89 4fit h LEU 58 Ca -0.01 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.29 4fit h LEU 58 Cb 1.37 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.41 4fit h LEU 58 CO 0.10 0.42 -0.03 -0.26 -0.34 0.00 0.00 178.44 178.33 4fit h PHE 59 N -0.49 0.00 -0.01 1.25 0.04 -1.41 -1.72 116.94 114.59 4fit h PHE 59 Ca -0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 4fit h PHE 59 Cb 0.46 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.62 4fit h PHE 59 CO 0.08 0.00 -0.44 1.96 -0.60 0.00 0.00 178.31 179.31 4fit h GLN 60 N 0.00 0.32 -0.91 1.51 4.20 -1.33 -2.36 115.11 116.54 4fit h GLN 60 Ca 0.00 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.41 4fit h GLN 60 Cb 0.83 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.65 4fit h GLN 60 CO 0.00 1.01 0.60 1.15 -0.67 0.00 0.00 178.83 180.92 4fit h THR 61 N -0.24 1.17 -0.05 -0.54 2.02 -1.49 -1.33 112.91 112.44 4fit h THR 61 Ca -0.05 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.66 4fit h THR 61 Cb 1.16 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 4fit h THR 61 CO 0.09 0.21 -0.32 0.74 0.37 0.00 0.00 175.52 176.61 4fit h THR 62 N 1.16 1.25 0.41 3.16 2.02 -1.27 -1.85 112.91 117.79 4fit h THR 62 Ca 0.36 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 4fit h THR 62 Cb -0.01 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 4fit h THR 62 CO -0.10 0.35 -0.20 -0.61 0.37 0.00 0.00 175.52 175.32 4fit h GLN 63 N 0.09 -0.54 -0.27 6.66 4.15 -0.70 -1.94 115.11 122.56 4fit h GLN 63 Ca 0.01 0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.53 4fit h GLN 63 Cb 0.61 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.36 4fit h GLN 63 CO 0.04 -0.26 -0.12 0.00 -1.93 0.00 0.00 178.83 176.56 4fit h ARG 64 N -0.74 -0.08 -0.57 1.69 3.08 -1.27 -2.42 114.38 114.06 4fit h ARG 64 Ca -0.06 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 4fit h ARG 64 Cb 0.52 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 4fit h ARG 64 CO 0.09 -0.05 0.27 0.28 -1.07 0.00 0.00 179.97 179.49 4fit h VAL 65 N -0.08 1.21 -0.38 2.04 2.07 -1.39 -2.71 116.25 117.01 4fit h VAL 65 Ca 0.14 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 67.10 4fit h VAL 65 Cb 0.29 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 4fit h VAL 65 CO -0.33 0.24 0.17 1.23 0.02 0.00 0.00 177.57 178.90 4fit h GLY 66 N 0.78 0.51 0.88 2.17 0.00 -1.03 -1.38 103.07 104.99 4fit h GLY 66 Ca 0.20 -0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.44 4fit h GLY 66 CO -0.02 0.07 0.27 -0.84 0.00 0.00 0.00 176.54 176.02 4fit h THR 67 N 0.35 1.04 -0.10 4.70 2.02 -1.37 -1.19 112.91 118.37 4fit h THR 67 Ca 0.17 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.17 4fit h THR 67 Cb 0.11 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 4fit h THR 67 CO -0.14 0.10 0.03 0.58 0.37 0.00 0.00 175.52 176.46 4fit h VAL 68 N 0.55 0.98 0.00 3.16 2.07 -1.10 -2.28 116.25 119.62 4fit h VAL 68 Ca 0.19 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.61 4fit h VAL 68 Cb 0.02 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 4fit h VAL 68 CO -0.09 0.01 -0.35 -0.37 0.02 0.00 0.00 177.57 176.80 4fit h VAL 69 N 0.08 0.77 -0.06 2.57 -1.51 -1.18 0.44 116.25 117.35 4fit h VAL 69 Ca 0.04 -1.51 -0.17 0.00 -1.23 0.00 0.00 66.70 63.83 4fit h VAL 69 Cb 0.02 1.96 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 4fit h VAL 69 CO -0.04 0.34 -0.68 -0.08 -1.23 0.00 0.00 177.57 175.87 4fit h GLU 70 N 0.00 0.29 0.05 5.19 4.81 -1.08 -2.32 114.58 121.52 4fit h GLU 70 Ca -0.00 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 4fit h GLU 70 Cb 0.94 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.36 4fit h GLU 70 CO 0.05 0.86 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.94 4fit h LYS 71 N 0.20 -0.07 -1.01 1.92 3.64 -1.13 0.28 116.57 120.40 4fit h LYS 71 Ca -0.02 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.60 4fit h LYS 71 Cb 1.23 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.95 4fit h LYS 71 CO 0.11 -0.05 0.61 1.25 -2.27 0.00 0.00 179.45 179.10 4fit h HIS 72 N -0.22 0.99 -0.61 1.91 2.76 -1.05 -0.60 115.15 118.33 4fit h HIS 72 Ca -0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 4fit h HIS 72 Cb 0.06 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.73 4fit h HIS 72 CO 0.05 0.11 0.00 1.19 -1.30 0.00 0.00 177.93 177.98 4fit n PHE 73 N -4.82 0.89 -3.96 5.26 3.72 -0.87 -5.01 117.46 112.66 4fit n PHE 73 Ca 0.26 -0.43 -0.27 0.00 -0.05 0.00 0.00 57.45 56.96 4fit n PHE 73 Cb 0.71 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 39.20 4fit n PHE 73 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 4fit n HIS 74 N 1.27 -1.63 -2.92 1.38 8.25 -0.23 -4.98 115.22 116.35 4fit n HIS 74 Ca 0.21 0.68 -0.18 0.00 -0.26 0.00 0.00 57.72 58.16 4fit n HIS 74 Cb 0.56 -3.59 0.02 0.00 1.12 0.00 0.00 29.99 28.10 4fit n HIS 74 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 4fit s GLY 75 N -4.25 1.90 0.00 -1.41 0.00 0.95 -4.85 107.32 99.66 4fit s GLY 75 Ca 0.07 -1.63 0.01 0.00 0.00 0.00 0.00 44.72 43.17 4fit s GLY 75 CO 0.90 -1.40 0.91 -1.30 0.00 0.00 0.00 173.10 172.21 4fit n THR 76 N -2.01 0.75 -3.82 0.90 -2.24 0.39 -4.73 114.28 103.52 4fit n THR 76 Ca 0.09 -0.87 -0.05 0.00 -2.27 0.00 0.00 64.05 60.94 4fit n THR 76 Cb 0.59 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 4fit n THR 76 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 4fit s SER 77 N -0.77 -0.09 0.03 3.42 0.01 -1.19 -4.99 113.70 110.12 4fit s SER 77 Ca 0.02 -0.69 -0.00 0.00 1.31 0.00 0.00 55.95 56.59 4fit s SER 77 Cb 0.01 0.61 -0.03 0.00 0.21 0.00 0.00 66.02 66.82 4fit s SER 77 CO 0.02 -1.18 -0.03 -0.76 0.41 0.00 0.00 173.24 171.70 4fit s LEU 78 N -3.11 2.36 -0.09 2.44 1.43 -1.26 -0.19 118.68 120.27 4fit s LEU 78 Ca 0.16 -0.73 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 4fit s LEU 78 Cb -0.03 0.14 0.01 0.00 0.03 0.00 0.00 46.19 46.33 4fit s LEU 78 CO 0.06 -0.43 -0.17 -0.89 0.23 0.00 0.00 176.35 175.14 4fit s THR 79 N -2.58 1.56 -0.04 5.49 2.01 -0.52 -4.90 115.64 116.65 4fit s THR 79 Ca -0.05 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.28 4fit s THR 79 Cb -0.02 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 4fit s THR 79 CO -0.05 0.45 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.76 4fit s PHE 80 N 0.58 2.50 -0.23 4.92 0.08 -1.26 -1.99 117.98 122.57 4fit s PHE 80 Ca -0.15 -0.42 -0.12 0.00 0.12 0.00 0.00 56.93 56.36 4fit s PHE 80 Cb -0.17 -1.58 0.07 0.00 -0.57 0.00 0.00 43.02 40.78 4fit s PHE 80 CO 0.05 -0.01 0.55 0.45 -0.10 0.00 0.00 175.22 176.16 4fit s SER 81 N -0.50 -0.73 -0.25 1.36 0.15 -1.05 -4.98 113.70 107.70 4fit s SER 81 Ca 0.06 1.22 0.03 0.00 0.70 0.00 0.00 55.95 57.96 4fit s SER 81 Cb -0.11 1.17 0.05 0.00 -1.71 0.00 0.00 66.02 65.42 4fit s SER 81 CO 0.01 -0.22 -0.12 -0.32 1.20 0.00 0.00 173.24 173.79 4fit s MET 82 N 1.67 2.35 -0.65 5.44 1.75 -1.26 -1.57 119.30 127.03 4fit s MET 82 Ca -0.09 -1.28 -0.25 0.00 -1.25 0.00 0.00 55.69 52.82 4fit s MET 82 Cb -0.07 -2.86 0.05 0.00 2.84 0.00 0.00 34.83 34.78 4fit s MET 82 CO -0.16 -0.52 1.08 -0.65 -0.65 0.00 0.00 175.02 174.11 4fit s GLN 83 N 1.13 3.23 -1.06 4.11 -0.21 -1.26 -4.95 119.66 120.64 4fit s GLN 83 Ca -0.07 -0.41 -0.14 0.00 0.02 0.00 0.00 55.36 54.76 4fit s GLN 83 Cb -0.19 -4.15 0.20 0.00 1.00 0.00 0.00 33.01 29.87 4fit s GLN 83 CO -0.06 -1.82 1.18 0.34 -2.12 0.00 0.00 175.29 172.80 4fit s ASP 84 N 3.43 7.00 0.00 5.90 2.15 -1.26 -4.27 116.67 129.61 4fit s ASP 84 Ca 0.30 -2.91 0.00 0.00 0.43 0.00 0.00 52.55 50.37 4fit s ASP 84 Cb -0.12 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 4fit s ASP 84 CO 0.15 -0.66 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 4fit n GLY 85 N 4.00 2.77 0.28 2.66 0.00 -1.26 -4.74 105.19 108.90 4fit n GLY 85 Ca 0.27 -1.98 0.04 0.00 0.00 0.00 0.00 46.02 44.35 4fit n GLY 85 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 4fit h PRO 86 N 0.00 0.51 0.00 1.61 0.11 -1.92 -1.61 132.00 130.70 4fit h PRO 86 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 4fit h PRO 86 Cb 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.99 4fit h PRO 86 CO 0.00 0.34 0.00 0.39 -0.21 0.00 0.00 178.00 178.52 4fit n GLU 87 N -4.93 0.99 0.00 1.05 4.71 -1.26 -3.04 120.64 118.15 4fit n GLU 87 Ca 0.14 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.32 4fit n GLU 87 Cb 0.37 -1.35 -0.01 0.00 -1.01 0.00 0.00 31.44 29.44 4fit n GLU 87 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 4fit n ALA 88 N -0.85 2.72 0.00 0.62 0.00 -0.64 -5.01 120.51 117.34 4fit n ALA 88 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.26 4fit n ALA 88 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.28 4fit n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4fit n GLY 89 N 0.85 1.09 3.59 0.00 0.00 -1.13 -4.70 105.19 104.89 4fit n GLY 89 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 4fit n GLY 89 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4fit s GLN 90 N -0.15 3.13 0.00 1.61 0.74 -1.00 -4.85 119.66 119.15 4fit s GLN 90 Ca 0.00 1.54 0.00 0.00 0.05 0.00 0.00 55.36 56.95 4fit s GLN 90 Cb 0.00 -4.29 0.00 0.00 1.10 0.00 0.00 33.01 29.82 4fit s GLN 90 CO 0.00 -2.10 0.00 2.41 -0.55 0.00 0.00 175.29 175.05 4fit n THR 91 N 7.54 0.00 -2.08 -0.34 -1.04 -1.26 -4.49 114.28 112.61 4fit n THR 91 Ca 0.26 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.85 4fit n THR 91 Cb 0.47 -0.06 -0.03 0.00 -1.82 0.00 0.00 70.33 68.89 4fit n THR 91 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 4fit s VAL 92 N 0.00 3.16 -1.35 12.58 0.11 -1.26 -4.89 120.40 128.76 4fit s VAL 92 Ca 0.00 0.76 -0.13 0.00 -2.93 0.00 0.00 61.98 59.69 4fit s VAL 92 Cb 0.00 -3.49 0.10 0.00 -1.53 0.00 0.00 36.38 31.46 4fit s VAL 92 CO 0.00 0.04 1.95 0.29 -3.33 0.00 0.00 175.10 174.05 4fit n LYS 93 N 4.48 3.24 -3.67 1.54 4.76 -1.26 -4.83 118.16 122.42 4fit n LYS 93 Ca 0.13 -3.17 -0.09 0.00 -2.87 0.00 0.00 58.31 52.32 4fit n LYS 93 Cb 0.41 -3.16 -0.09 0.00 -1.84 0.00 0.00 35.03 30.35 4fit n LYS 93 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 4fit s HIS 94 N 2.12 -0.79 0.16 2.13 2.46 -1.26 -3.96 115.29 116.14 4fit s HIS 94 Ca 0.45 1.61 -0.34 0.00 0.47 0.00 0.00 55.06 57.25 4fit s HIS 94 Cb 0.09 0.40 -0.16 0.00 -0.13 0.00 0.00 32.58 32.79 4fit s HIS 94 CO -0.02 -0.42 1.23 0.28 -2.47 0.00 0.00 174.74 173.33 4fit n VAL 95 N 4.42 0.67 -3.64 0.89 0.31 -0.29 -4.95 118.33 115.73 4fit n VAL 95 Ca -0.21 -0.17 -0.08 0.00 -0.01 0.00 0.00 64.34 63.88 4fit n VAL 95 Cb 0.56 -0.89 -0.07 0.00 -0.91 0.00 0.00 33.84 32.53 4fit n VAL 95 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 4fit s HIS 96 N -0.00 -0.73 -0.21 3.52 -3.43 -1.26 -4.11 115.29 109.07 4fit s HIS 96 Ca 0.76 1.57 -0.10 0.00 -0.80 0.00 0.00 55.06 56.49 4fit s HIS 96 Cb -0.86 0.42 -0.05 0.00 -1.43 0.00 0.00 32.58 30.66 4fit s HIS 96 CO 0.50 -0.36 0.15 0.08 -2.00 0.00 0.00 174.74 173.11 4fit s VAL 97 N 0.97 5.39 -0.19 -5.38 1.01 -0.62 -4.34 120.40 117.23 4fit s VAL 97 Ca -0.05 0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 4fit s VAL 97 Cb -0.05 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 4fit s VAL 97 CO -0.11 0.41 0.49 -1.00 0.00 0.00 0.00 175.10 174.89 4fit s HIS 98 N 0.55 3.39 -0.24 5.22 3.76 -0.61 -1.54 115.29 125.81 4fit s HIS 98 Ca 0.08 0.76 -0.04 0.00 -0.15 0.00 0.00 55.06 55.71 4fit s HIS 98 Cb -0.12 -2.63 -0.00 0.00 1.11 0.00 0.00 32.58 30.94 4fit s HIS 98 CO -0.00 -0.05 -0.01 0.08 -0.85 0.00 0.00 174.74 173.91 4fit s VAL 99 N 1.45 3.51 -0.10 -0.90 1.01 0.10 -2.53 120.40 122.93 4fit s VAL 99 Ca 0.23 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.64 4fit s VAL 99 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.55 4fit s VAL 99 CO 0.09 0.30 -0.21 -0.76 0.00 0.00 0.00 175.10 174.52 4fit s LEU 100 N 1.47 2.00 0.50 3.92 1.02 -0.84 -1.57 118.68 125.17 4fit s LEU 100 Ca 0.04 -0.52 -0.20 0.00 0.02 0.00 0.00 54.13 53.48 4fit s LEU 100 Cb -0.15 -1.31 -0.08 0.00 0.02 0.00 0.00 46.19 44.67 4fit s LEU 100 CO -0.02 0.12 1.04 -2.84 0.02 0.00 0.00 176.35 174.67 4fit s PRO 101 N 0.52 3.76 0.09 1.29 0.02 -1.26 -1.45 135.00 137.98 4fit s PRO 101 Ca -0.15 1.32 0.10 0.00 0.02 0.00 0.00 61.00 62.28 4fit s PRO 101 Cb -0.17 -2.09 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 4fit s PRO 101 CO 0.05 -0.46 -0.26 1.03 -0.33 0.00 0.00 177.00 177.03 4fit s ARG 102 N -3.37 1.53 0.14 5.54 1.81 0.74 -4.88 118.95 120.46 4fit s ARG 102 Ca 0.66 -1.23 0.06 0.00 -1.72 0.00 0.00 55.73 53.51 4fit s ARG 102 Cb -0.16 -1.87 -0.04 0.00 -0.45 0.00 0.00 34.95 32.43 4fit s ARG 102 CO 0.22 0.46 -0.14 0.15 -0.68 0.00 0.00 175.30 175.32 4fit s LYS 103 N -1.70 1.08 -0.03 3.54 1.02 -1.26 0.15 119.74 122.54 4fit s LYS 103 Ca 0.12 -1.32 -0.37 0.00 0.02 0.00 0.00 55.97 54.43 4fit s LYS 103 Cb -0.10 -0.91 -0.15 0.00 -0.52 0.00 0.00 37.83 36.15 4fit s LYS 103 CO 0.04 0.16 1.58 0.00 -0.92 0.00 0.00 175.35 176.22 4fit n ALA 104 N 0.31 -0.00 -4.21 5.17 0.00 -1.26 0.25 120.51 120.76 4fit n ALA 104 Ca -0.14 0.43 -0.36 0.00 0.00 0.00 0.00 53.44 53.37 4fit n ALA 104 Cb 0.58 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 4fit n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4fit n GLY 105 N 3.45 -0.43 0.23 0.00 0.00 -1.26 -4.83 105.19 102.34 4fit n GLY 105 Ca 0.21 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 4fit n GLY 105 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 4fit h ASP 106 N -1.11 -0.50 0.00 1.61 2.03 -0.61 -3.56 116.42 114.29 4fit h ASP 106 Ca -0.55 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.77 4fit h ASP 106 Cb 1.36 0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.99 4fit h ASP 106 CO 0.77 -0.34 0.00 2.22 -1.03 0.00 0.00 179.24 180.86 4fit n PHE 107 N -3.56 0.00 0.00 4.15 1.16 -1.26 -5.04 117.46 112.91 4fit n PHE 107 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.51 4fit n PHE 107 Cb 0.22 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.09 4fit n PHE 107 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 4fit n SER 128 N 0.00 0.00 0.00 5.98 3.41 -1.26 -5.15 113.62 116.60 4fit n SER 128 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 4fit n SER 128 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 4fit n SER 128 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 4fit n TRP 129 N 0.00 0.00 -3.66 7.33 7.02 -1.25 -4.94 117.44 121.94 4fit n TRP 129 Ca 0.00 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.28 4fit n TRP 129 Cb 0.00 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 28.87 4fit n TRP 129 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 4fit s ARG 130 N 0.00 2.89 0.03 -0.99 0.52 -0.80 -5.03 118.95 115.57 4fit s ARG 130 Ca 0.00 -1.18 -0.12 0.00 -0.52 0.00 0.00 55.73 53.91 4fit s ARG 130 Cb 0.00 -2.62 -0.06 0.00 0.52 0.00 0.00 34.95 32.79 4fit s ARG 130 CO 0.00 0.07 0.39 -1.54 0.02 0.00 0.00 175.30 174.24 4fit s SER 131 N -4.08 6.71 0.50 0.23 1.04 -1.26 -4.95 113.70 111.89 4fit s SER 131 Ca 0.43 0.86 0.34 0.00 0.48 0.00 0.00 55.95 58.06 4fit s SER 131 Cb -0.07 -2.21 1.47 0.00 0.10 0.00 0.00 66.02 65.31 4fit s SER 131 CO 0.29 0.26 1.74 -0.33 0.98 0.00 0.00 173.24 176.18 4fit h GLU 132 N 4.28 0.09 0.14 4.02 5.08 -1.99 0.17 114.58 126.38 4fit h GLU 132 Ca -0.51 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 57.56 4fit h GLU 132 Cb 1.21 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.45 4fit h GLU 132 CO 0.63 0.06 -1.28 1.49 -1.00 0.00 0.00 179.01 178.91 4fit h GLU 133 N 0.09 0.31 -0.25 2.33 4.81 -1.97 -1.24 114.58 118.67 4fit h GLU 133 Ca 0.66 -0.52 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 4fit h GLU 133 Cb 2.36 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 31.93 4fit h GLU 133 CO -0.12 1.25 -0.26 1.49 -0.73 0.00 0.00 179.01 180.63 4fit h GLU 134 N 0.08 0.61 -0.55 1.92 4.81 -1.10 -1.52 114.58 118.83 4fit h GLU 134 Ca -0.15 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 4fit h GLU 134 Cb 2.00 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.37 4fit h GLU 134 CO 0.21 0.93 0.32 0.52 -0.73 0.00 0.00 179.01 180.26 4fit h MET 135 N 0.32 0.76 -0.32 1.92 2.86 -1.38 0.17 114.93 119.26 4fit h MET 135 Ca 0.04 -0.08 0.09 0.00 -2.06 0.00 0.00 59.70 57.69 4fit h MET 135 Cb 0.83 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 4fit h MET 135 CO 0.06 0.57 0.40 0.00 1.06 0.00 0.00 176.91 179.00 4fit h ALA 136 N 1.15 1.96 0.20 6.32 0.00 -0.89 -1.33 119.26 126.67 4fit h ALA 136 Ca 0.20 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.75 4fit h ALA 136 Cb 0.02 0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.85 4fit h ALA 136 CO -0.03 -0.56 -1.68 0.00 0.00 0.00 0.00 179.25 176.97 4fit h ALA 137 N 1.51 0.08 -0.26 0.00 0.00 0.35 -3.05 119.26 117.89 4fit h ALA 137 Ca 0.15 -1.07 -0.08 0.00 0.00 0.00 0.00 54.91 53.91 4fit h ALA 137 Cb 0.94 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 4fit h ALA 137 CO -0.00 0.95 -0.17 1.49 0.00 0.00 0.00 179.25 181.52 4fit h GLU 138 N 0.12 0.45 -0.10 0.00 4.81 -0.40 -2.44 114.58 117.02 4fit h GLU 138 Ca -0.32 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 4fit h GLU 138 Cb 2.12 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.45 4fit h GLU 138 CO 0.20 0.61 0.05 0.00 -0.73 0.00 0.00 179.01 179.15 4fit h ALA 139 N 1.41 0.12 -0.15 2.92 0.00 -1.39 -0.57 119.26 121.61 4fit h ALA 139 Ca 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 4fit h ALA 139 Cb 0.54 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 4fit h ALA 139 CO 0.04 -0.33 -0.32 0.00 0.00 0.00 0.00 179.25 178.63 4fit h ALA 140 N 0.95 1.18 0.11 0.00 0.00 -1.46 0.14 119.26 120.18 4fit h ALA 140 Ca 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 4fit h ALA 140 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 4fit h ALA 140 CO -0.01 0.54 -0.05 0.00 0.00 0.00 0.00 179.25 179.73 4fit h ALA 141 N 1.41 -0.14 -0.46 0.00 0.00 -1.19 -3.14 119.26 115.74 4fit h ALA 141 Ca 0.03 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 4fit h ALA 141 Cb 0.70 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 4fit h ALA 141 CO 0.05 -0.49 0.01 -0.07 0.00 0.00 0.00 179.25 178.76 4fit h LEU 142 N -0.32 0.72 -1.31 0.00 3.38 -0.63 -2.62 115.31 114.53 4fit h LEU 142 Ca -0.01 -0.16 0.12 0.00 0.09 0.00 0.00 57.88 57.91 4fit h LEU 142 Cb 0.27 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 4fit h LEU 142 CO 0.02 0.78 0.55 0.03 0.09 0.00 0.00 178.44 179.91 4fit h ARG 143 N 0.71 0.71 -0.99 1.13 3.08 -0.68 -2.79 114.38 115.55 4fit h ARG 143 Ca 0.14 -0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.35 4fit h ARG 143 Cb 0.41 -0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.21 4fit h ARG 143 CO 0.02 0.47 0.62 0.28 -1.07 0.00 0.00 179.97 180.28 4fit h VAL 144 N 0.73 0.68 0.00 2.04 2.07 -1.48 0.44 116.25 120.74 4fit h VAL 144 Ca 0.40 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.70 4fit h VAL 144 Cb 0.56 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 4fit h VAL 144 CO -0.17 0.12 0.00 -1.22 0.02 0.00 0.00 177.57 176.32 4fit n TYR 145 N -4.70 0.63 -2.65 1.57 4.02 -1.05 -3.99 117.16 110.99 4fit n TYR 145 Ca 0.23 0.24 -0.41 0.00 -0.01 0.00 0.00 57.90 57.94 4fit n TYR 145 Cb 0.63 -0.89 0.01 0.00 -0.02 0.00 0.00 39.34 39.08 4fit n TYR 145 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 4fit n PHE 146 N -2.07 2.61 -0.11 -0.72 3.72 0.15 -5.10 117.46 115.95 4fit n PHE 146 Ca 0.03 -2.60 0.00 0.00 -0.05 0.00 0.00 57.45 54.83 4fit n PHE 146 Cb 0.24 -1.31 0.00 0.00 -0.94 0.00 0.00 39.48 37.47 4fit n PHE 146 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75