#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fim s ALA 2 N 0.00 1.04 -0.23 0.55 0.00 0.01 -1.70 121.76 121.43 1fim s ALA 2 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 1fim s ALA 2 Cb 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1fim s ALA 2 CO 0.00 0.04 -0.05 0.12 0.00 0.00 0.00 175.76 175.86 1fim s PHE 3 N 0.82 2.98 -0.12 0.00 5.36 -0.30 0.03 117.98 126.76 1fim s PHE 3 Ca -0.12 -1.18 -0.02 0.00 -0.96 0.00 0.00 56.93 54.64 1fim s PHE 3 Cb -0.15 -2.09 -0.03 0.00 -0.34 0.00 0.00 43.02 40.42 1fim s PHE 3 CO 0.02 -0.63 -0.04 0.42 -1.46 0.00 0.00 175.22 173.53 1fim s ILE 4 N 1.42 3.92 -0.14 3.12 -1.09 0.83 -1.56 121.20 127.71 1fim s ILE 4 Ca 0.04 -0.37 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 1fim s ILE 4 Cb -0.15 -2.68 0.02 0.00 -1.58 0.00 0.00 42.46 38.07 1fim s ILE 4 CO -0.04 0.54 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.38 1fim s VAL 5 N -0.14 1.53 -0.23 2.92 1.01 0.18 -1.36 120.40 124.30 1fim s VAL 5 Ca 0.03 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1fim s VAL 5 Cb -0.13 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1fim s VAL 5 CO 0.02 0.45 0.02 0.20 0.00 0.00 0.00 175.10 175.79 1fim s ASN 6 N 1.37 4.76 0.04 3.32 0.01 -0.07 -0.72 114.94 123.66 1fim s ASN 6 Ca 0.02 -0.28 0.02 0.00 -0.71 0.00 0.00 52.86 51.90 1fim s ASN 6 Cb -0.13 -1.84 -0.02 0.00 0.41 0.00 0.00 41.25 39.66 1fim s ASN 6 CO -0.08 -0.02 -0.06 0.28 -1.51 0.00 0.00 177.10 175.70 1fim s THR 7 N 1.50 0.44 -2.52 1.60 -1.32 -0.42 -0.79 115.64 114.12 1fim s THR 7 Ca 0.06 -1.12 0.25 0.00 -1.21 0.00 0.00 61.69 59.67 1fim s THR 7 Cb -0.15 -0.62 0.46 0.00 -1.51 0.00 0.00 72.50 70.68 1fim s THR 7 CO 0.01 -0.46 1.59 -0.46 -2.21 0.00 0.00 174.62 173.08 1fim n ASN 8 N 1.35 1.94 -4.78 8.08 6.94 -1.21 -1.43 115.26 126.16 1fim n ASN 8 Ca -0.22 -1.67 -0.37 0.00 -0.02 0.00 0.00 54.58 52.29 1fim n ASN 8 Cb 0.55 -0.05 -0.04 0.00 -2.36 0.00 0.00 39.78 37.89 1fim n ASN 8 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1fim s VAL 9 N -1.91 3.57 0.68 3.53 -7.23 -1.26 -4.46 120.40 113.32 1fim s VAL 9 Ca 0.35 1.25 -0.17 0.00 -1.81 0.00 0.00 61.98 61.60 1fim s VAL 9 Cb 0.20 -3.67 0.01 0.00 0.56 0.00 0.00 36.38 33.48 1fim s VAL 9 CO 0.31 0.06 1.27 -2.84 -0.31 0.00 0.00 175.10 173.59 1fim s PRO 10 N -2.36 2.34 0.50 4.82 0.02 -1.26 -1.44 135.00 137.62 1fim s PRO 10 Ca 0.57 1.98 0.16 0.00 0.02 0.00 0.00 61.00 63.73 1fim s PRO 10 Cb -0.25 -1.83 1.22 0.00 0.02 0.00 0.00 34.50 33.67 1fim s PRO 10 CO 0.31 -1.74 2.10 -0.09 -0.33 0.00 0.00 177.00 177.25 1fim h ARG 11 N 0.20 0.10 0.00 5.54 1.12 -1.95 -1.07 114.38 118.32 1fim h ARG 11 Ca -0.50 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 1fim h ARG 11 Cb 1.33 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.26 1fim h ARG 11 CO 0.51 0.06 0.00 0.00 -3.11 0.00 0.00 179.97 177.44 1fim n ALA 12 N -2.55 2.20 1.45 2.80 0.00 -1.26 -2.37 120.51 120.77 1fim n ALA 12 Ca 0.01 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.50 1fim n ALA 12 Cb 0.20 -1.42 0.49 0.00 0.00 0.00 0.00 19.45 18.72 1fim n ALA 12 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1fim n SER 13 N -1.49 1.55 -4.60 0.00 3.41 -0.41 -4.76 113.62 107.33 1fim n SER 13 Ca 0.07 -1.48 -0.40 0.00 -0.26 0.00 0.00 58.87 56.79 1fim n SER 13 Cb 0.30 0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.18 1fim n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1fim s VAL 14 N -2.04 5.09 0.80 -3.33 1.01 -1.00 -4.76 120.40 116.16 1fim s VAL 14 Ca 0.36 0.67 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 1fim s VAL 14 Cb 0.21 -3.82 0.08 0.00 0.00 0.00 0.00 36.38 32.84 1fim s VAL 14 CO 0.35 0.03 1.22 -2.84 0.00 0.00 0.00 175.10 173.86 1fim s PRO 15 N 2.26 1.67 0.05 2.72 0.02 -1.26 -4.98 135.00 135.49 1fim s PRO 15 Ca 0.19 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 62.70 1fim s PRO 15 Cb -0.16 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 1fim s PRO 15 CO 0.10 -2.20 1.09 -2.00 -0.33 0.00 0.00 177.00 173.66 1fim s GLU 16 N -4.07 4.51 0.00 5.54 2.12 -1.26 -2.54 118.70 123.00 1fim s GLU 16 Ca 0.74 1.60 0.00 0.00 0.36 0.00 0.00 54.97 57.67 1fim s GLU 16 Cb -0.30 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.70 1fim s GLU 16 CO 0.50 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.51 1fim n GLY 17 N 2.95 0.57 0.26 -1.50 0.00 -1.26 -4.98 105.19 101.22 1fim n GLY 17 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 1fim n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1fim h PHE 18 N 0.00 0.82 -0.16 1.61 3.57 -1.87 0.78 116.94 121.68 1fim h PHE 18 Ca 0.00 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 1fim h PHE 18 Cb 0.00 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1fim h PHE 18 CO 0.00 0.54 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.19 1fim h LEU 19 N 0.86 0.35 -0.19 0.59 -0.00 -1.94 -0.73 115.31 114.26 1fim h LEU 19 Ca 0.23 -0.13 -0.12 0.00 -0.00 0.00 0.00 57.88 57.86 1fim h LEU 19 Cb -0.06 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.50 1fim h LEU 19 CO -0.05 0.68 -0.34 0.77 -0.00 0.00 0.00 178.44 179.50 1fim h SER 20 N 0.29 0.63 0.78 -0.43 4.64 -1.92 -1.98 113.55 115.55 1fim h SER 20 Ca 0.03 -0.54 -0.04 0.00 -0.47 0.00 0.00 61.79 60.77 1fim h SER 20 Cb 0.76 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1fim h SER 20 CO 0.06 1.05 -0.37 -0.08 -0.87 0.00 0.00 176.83 176.62 1fim h GLU 21 N 0.23 -1.00 -0.72 4.77 4.81 -0.66 -1.56 114.58 120.44 1fim h GLU 21 Ca 0.01 0.07 0.15 0.00 -0.13 0.00 0.00 59.36 59.45 1fim h GLU 21 Cb 0.94 0.23 -0.10 0.00 0.63 0.00 0.00 28.75 30.44 1fim h GLU 21 CO 0.08 -0.66 0.21 1.25 -0.73 0.00 0.00 179.01 179.16 1fim h LEU 22 N -1.10 0.11 -0.36 1.64 5.85 -1.21 0.39 115.31 120.63 1fim h LEU 22 Ca -0.11 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1fim h LEU 22 Cb 0.81 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1fim h LEU 22 CO 0.17 0.02 0.07 0.74 -0.34 0.00 0.00 178.44 179.11 1fim h THR 23 N 0.33 0.82 -0.30 1.05 2.02 -1.21 0.07 112.91 115.70 1fim h THR 23 Ca 0.40 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.42 1fim h THR 23 Cb 0.64 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1fim h THR 23 CO -0.45 0.04 -0.20 1.56 0.37 0.00 0.00 175.52 176.84 1fim h GLN 24 N 0.20 0.54 0.00 6.66 4.20 -0.17 -1.66 115.11 124.89 1fim h GLN 24 Ca 0.17 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1fim h GLN 24 Cb 0.19 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1fim h GLN 24 CO -0.22 0.71 -0.00 1.96 -0.67 0.00 0.00 178.83 180.61 1fim h GLN 25 N 0.49 -0.01 -0.59 1.46 1.08 -0.07 -1.20 115.11 116.28 1fim h GLN 25 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1fim h GLN 25 Cb 0.62 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.02 1fim h GLN 25 CO 0.04 0.27 0.38 -0.07 -0.95 0.00 0.00 178.83 178.50 1fim h LEU 26 N -0.28 0.68 -0.79 1.46 3.38 -0.81 0.19 115.31 119.15 1fim h LEU 26 Ca -0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1fim h LEU 26 Cb 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1fim h LEU 26 CO 0.00 0.49 0.28 0.00 0.09 0.00 0.00 178.44 179.31 1fim h ALA 27 N 1.63 1.03 0.60 1.53 0.00 -1.07 -0.24 119.26 122.73 1fim h ALA 27 Ca 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1fim h ALA 27 Cb -0.08 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.41 1fim h ALA 27 CO -0.05 0.67 -0.29 1.96 0.00 0.00 0.00 179.25 181.55 1fim h GLN 28 N 1.15 -0.78 -0.71 0.00 4.20 0.08 -1.86 115.11 117.19 1fim h GLN 28 Ca 0.26 0.05 0.15 0.00 0.06 0.00 0.00 58.65 59.17 1fim h GLN 28 Cb 0.26 0.18 -0.10 0.00 0.30 0.00 0.00 27.48 28.11 1fim h GLN 28 CO -0.02 -0.51 0.18 0.00 -0.67 0.00 0.00 178.83 177.82 1fim h ALA 29 N -1.17 0.91 -0.00 3.87 0.00 -0.63 -2.54 119.26 119.70 1fim h ALA 29 Ca -0.08 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1fim h ALA 29 Cb 0.63 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1fim h ALA 29 CO 0.14 -0.31 -0.43 0.25 0.00 0.00 0.00 179.25 178.89 1fim n THR 30 N -5.13 0.00 -1.02 0.00 -2.24 -0.11 -4.94 114.28 100.84 1fim n THR 30 Ca 0.13 -0.02 -0.01 0.00 -2.27 0.00 0.00 64.05 61.88 1fim n THR 30 Cb 0.42 0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1fim n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fim n GLY 31 N 1.47 0.34 3.90 3.38 0.00 -0.71 -5.01 105.19 108.56 1fim n GLY 31 Ca 0.07 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1fim n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fim s LYS 32 N -1.08 3.45 0.49 1.61 -0.14 -1.17 -5.05 119.74 117.85 1fim s LYS 32 Ca 0.00 -0.27 -0.21 0.00 -1.36 0.00 0.00 55.97 54.13 1fim s LYS 32 Cb 0.00 -3.11 -0.07 0.00 -1.68 0.00 0.00 37.83 32.97 1fim s LYS 32 CO 0.00 0.69 1.11 -1.25 -0.76 0.00 0.00 175.35 175.13 1fim s PRO 33 N -1.80 3.69 0.59 -1.68 0.04 -1.26 -4.48 135.00 130.10 1fim s PRO 33 Ca 0.26 1.58 0.33 0.00 0.04 0.00 0.00 61.00 63.21 1fim s PRO 33 Cb -0.13 -2.21 1.28 0.00 0.04 0.00 0.00 34.50 33.48 1fim s PRO 33 CO 0.16 -0.57 1.54 0.00 0.04 0.00 0.00 177.00 178.17 1fim h ALA 34 N 1.70 3.02 0.00 8.56 0.00 -1.92 0.36 119.26 130.98 1fim h ALA 34 Ca -0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1fim h ALA 34 Cb 1.24 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1fim h ALA 34 CO 0.59 -1.66 -0.03 -0.56 0.00 0.00 0.00 179.25 177.59 1fim h GLN 35 N 0.00 0.00 -0.65 0.00 3.07 -2.00 -2.46 115.11 113.07 1fim h GLN 35 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.28 1fim h GLN 35 Cb 2.69 0.00 0.00 0.00 0.08 0.00 0.00 27.48 30.25 1fim h GLN 35 CO -0.01 0.03 0.00 0.66 0.09 0.00 0.00 178.83 179.60 1fim n TYR 36 N -4.32 1.49 -5.03 0.06 4.01 0.13 -4.95 117.16 108.55 1fim n TYR 36 Ca -0.03 -0.58 -0.31 0.00 -0.16 0.00 0.00 57.90 56.82 1fim n TYR 36 Cb 0.11 -0.27 -0.15 0.00 -0.31 0.00 0.00 39.34 38.72 1fim n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1fim s ILE 37 N -1.95 2.23 -0.01 -0.72 1.01 -0.93 0.59 121.20 121.42 1fim s ILE 37 Ca 0.49 -1.23 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1fim s ILE 37 Cb 0.32 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.95 1fim s ILE 37 CO 0.22 0.45 -0.05 0.00 0.00 0.00 0.00 174.94 175.56 1fim s ALA 38 N -0.74 0.51 -0.02 9.38 0.00 -0.69 -4.97 121.76 125.24 1fim s ALA 38 Ca 0.11 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.93 1fim s ALA 38 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1fim s ALA 38 CO 0.01 0.09 -0.18 0.08 0.00 0.00 0.00 175.76 175.76 1fim s VAL 39 N 0.09 1.46 -0.11 0.00 1.01 -1.26 -1.15 120.40 120.44 1fim s VAL 39 Ca -0.01 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1fim s VAL 39 Cb -0.05 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 35.15 1fim s VAL 39 CO -0.00 0.41 0.05 -2.28 0.00 0.00 0.00 175.10 173.28 1fim s HIS 40 N -0.33 0.41 -0.17 5.22 2.46 -0.60 -4.97 115.29 117.31 1fim s HIS 40 Ca 0.05 -0.21 -0.02 0.00 0.47 0.00 0.00 55.06 55.35 1fim s HIS 40 Cb -0.08 -0.72 -0.01 0.00 -0.13 0.00 0.00 32.58 31.64 1fim s HIS 40 CO -0.00 -0.40 -0.10 0.08 -2.47 0.00 0.00 174.74 171.86 1fim s VAL 41 N 2.06 3.12 -0.33 0.89 1.01 -1.26 -0.65 120.40 125.24 1fim s VAL 41 Ca 0.03 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1fim s VAL 41 Cb -0.14 -2.36 0.10 0.00 0.00 0.00 0.00 36.38 33.97 1fim s VAL 41 CO -0.06 0.48 0.03 -0.69 0.00 0.00 0.00 175.10 174.86 1fim s VAL 42 N 0.89 2.25 0.60 2.92 1.01 0.10 -4.97 120.40 123.20 1fim s VAL 42 Ca -0.02 -2.26 -0.01 0.00 0.00 0.00 0.00 61.98 59.69 1fim s VAL 42 Cb -0.15 -2.63 0.12 0.00 0.00 0.00 0.00 36.38 33.72 1fim s VAL 42 CO 0.00 -0.54 0.83 -0.81 0.00 0.00 0.00 175.10 174.58 1fim n PRO 43 N 4.28 -0.04 -2.92 2.72 -0.04 -1.26 -1.30 135.00 136.43 1fim n PRO 43 Ca 0.02 -2.17 -0.22 0.00 -0.04 0.00 0.00 63.50 61.09 1fim n PRO 43 Cb 0.42 -0.57 0.03 0.00 -0.04 0.00 0.00 33.50 33.34 1fim n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1fim n ASP 44 N -2.97 -6.00 -4.89 3.54 8.00 -0.52 -4.85 116.55 108.86 1fim n ASP 44 Ca 0.13 -0.25 -0.31 0.00 0.71 0.00 0.00 54.79 55.08 1fim n ASP 44 Cb 0.48 -4.84 -0.05 0.00 -0.02 0.00 0.00 41.12 36.70 1fim n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1fim s GLN 45 N -5.59 3.72 0.00 -1.24 -1.52 -0.52 -4.98 119.66 109.54 1fim s GLN 45 Ca 0.26 0.14 -0.20 0.00 -1.95 0.00 0.00 55.36 53.61 1fim s GLN 45 Cb -0.11 -2.67 -0.06 0.00 -0.22 0.00 0.00 33.01 29.95 1fim s GLN 45 CO 0.32 0.30 0.58 -0.51 -0.25 0.00 0.00 175.29 175.73 1fim s LEU 46 N -3.04 4.43 0.03 2.90 1.43 -1.26 -4.30 118.68 118.88 1fim s LEU 46 Ca 0.45 1.16 -0.10 0.00 -1.03 0.00 0.00 54.13 54.61 1fim s LEU 46 Cb -0.11 -2.89 0.01 0.00 0.03 0.00 0.00 46.19 43.22 1fim s LEU 46 CO 0.25 0.14 0.21 0.42 0.23 0.00 0.00 176.35 177.59 1fim s THR 48 N -0.35 0.10 -0.16 5.49 -4.23 -1.26 -5.09 115.64 110.13 1fim s THR 48 Ca 0.30 -0.81 -0.08 0.00 -1.18 0.00 0.00 61.69 59.92 1fim s THR 48 Cb -0.18 -0.82 0.06 0.00 1.34 0.00 0.00 72.50 72.90 1fim s THR 48 CO 0.17 -0.45 0.37 0.12 -0.54 0.00 0.00 174.62 174.30 1fim s PHE 49 N -2.29 -0.59 -1.43 3.99 2.19 0.17 -4.86 117.98 115.16 1fim s PHE 49 Ca -0.07 1.23 -0.11 0.00 0.33 0.00 0.00 56.93 58.31 1fim s PHE 49 Cb -0.02 0.21 0.08 0.00 -1.31 0.00 0.00 43.02 41.98 1fim s PHE 49 CO -0.02 -0.36 0.67 0.43 1.83 0.00 0.00 175.22 177.77 1fim n SER 50 N 4.62 -4.19 0.00 6.13 7.64 -1.26 -1.57 113.62 124.98 1fim n SER 50 Ca -0.19 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.13 1fim n SER 50 Cb 0.53 -3.42 0.00 0.00 -1.01 0.00 0.00 64.21 60.31 1fim n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fim n GLY 51 N -1.37 2.58 3.38 0.23 0.00 -1.26 -5.05 105.19 103.70 1fim n GLY 51 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1fim n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fim s THR 52 N -2.35 0.97 -0.41 2.61 -4.23 -0.61 -5.02 115.64 106.61 1fim s THR 52 Ca 0.00 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 58.56 1fim s THR 52 Cb 0.00 -2.64 0.69 0.00 1.34 0.00 0.00 72.50 71.89 1fim s THR 52 CO 0.00 -0.08 1.87 -1.54 -0.54 0.00 0.00 174.62 174.33 1fim n SER 53 N -0.56 4.01 -4.71 3.99 3.41 -1.26 -0.65 113.62 117.85 1fim n SER 53 Ca -0.02 -3.51 -0.32 0.00 -0.26 0.00 0.00 58.87 54.76 1fim n SER 53 Cb 0.66 -0.80 0.12 0.00 -0.26 0.00 0.00 64.21 63.93 1fim n SER 53 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1fim s ASP 54 N -1.29 3.72 0.13 4.04 1.01 -1.26 -4.85 116.67 118.17 1fim s ASP 54 Ca 0.56 2.16 -0.35 0.00 0.71 0.00 0.00 52.55 55.62 1fim s ASP 54 Cb 0.47 -2.56 -0.16 0.00 1.01 0.00 0.00 42.92 41.67 1fim s ASP 54 CO 0.11 -2.57 1.37 -2.65 0.21 0.00 0.00 175.17 171.64 1fim n PRO 55 N -3.56 1.43 -4.02 8.23 -0.02 -1.26 -4.86 135.00 130.93 1fim n PRO 55 Ca 0.12 0.51 -0.13 0.00 -2.02 0.00 0.00 63.50 61.98 1fim n PRO 55 Cb 0.52 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1fim n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fim s ALA 57 N -2.98 -1.33 -0.27 0.00 0.00 -0.53 -3.29 121.76 113.36 1fim s ALA 57 Ca 0.27 1.75 -0.08 0.00 0.00 0.00 0.00 51.96 53.89 1fim s ALA 57 Cb -0.01 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 1fim s ALA 57 CO 0.18 -0.55 0.09 -0.51 0.00 0.00 0.00 175.76 174.97 1fim s LEU 58 N 2.08 3.63 0.26 0.00 1.43 0.03 -0.78 118.68 125.32 1fim s LEU 58 Ca -0.06 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1fim s LEU 58 Cb -0.10 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1fim s LEU 58 CO -0.15 -0.08 -0.07 0.00 0.23 0.00 0.00 176.35 176.28 1fim s SER 60 N -3.40 -0.26 -0.17 0.00 1.04 -0.46 -1.28 113.70 109.17 1fim s SER 60 Ca 0.28 0.51 -0.02 0.00 0.48 0.00 0.00 55.95 57.19 1fim s SER 60 Cb 0.03 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1fim s SER 60 CO 0.10 -0.10 -0.08 -0.22 0.98 0.00 0.00 173.24 173.92 1fim s LEU 61 N 0.36 2.90 -0.21 2.42 2.96 0.32 -0.12 118.68 127.31 1fim s LEU 61 Ca -0.02 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1fim s LEU 61 Cb -0.03 -1.69 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 1fim s LEU 61 CO -0.01 0.10 -0.09 -1.00 -1.32 0.00 0.00 176.35 174.03 1fim s HIS 62 N 0.76 2.90 0.24 5.38 3.76 0.10 -0.85 115.29 127.59 1fim s HIS 62 Ca -0.03 -1.13 0.09 0.00 -0.15 0.00 0.00 55.06 53.84 1fim s HIS 62 Cb -0.15 -2.05 -0.05 0.00 1.11 0.00 0.00 32.58 31.44 1fim s HIS 62 CO 0.02 -0.61 -0.15 -1.12 -0.85 0.00 0.00 174.74 172.03 1fim s SER 63 N 1.40 2.92 -1.07 1.40 0.01 -0.56 -0.81 113.70 116.99 1fim s SER 63 Ca 0.05 -1.05 -0.02 0.00 1.31 0.00 0.00 55.95 56.24 1fim s SER 63 Cb -0.14 -0.19 0.30 0.00 0.21 0.00 0.00 66.02 66.19 1fim s SER 63 CO -0.06 -0.14 1.90 -0.38 0.41 0.00 0.00 173.24 174.97 1fim n ILE 64 N -0.49 6.02 0.00 1.44 -0.00 -1.26 0.39 119.36 125.46 1fim n ILE 64 Ca -0.07 -5.79 0.00 0.00 -0.00 0.00 0.00 62.75 56.90 1fim n ILE 64 Cb 0.61 -1.61 0.00 0.00 -0.00 0.00 0.00 39.64 38.63 1fim n ILE 64 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1fim n GLY 65 N 0.16 1.20 3.73 7.39 0.00 -1.26 -4.92 105.19 111.50 1fim n GLY 65 Ca 0.49 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 1fim n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fim s LYS 66 N -2.00 4.33 0.26 1.61 2.36 -1.26 -4.56 119.74 120.48 1fim s LYS 66 Ca 0.00 0.59 -0.20 0.00 -2.55 0.00 0.00 55.97 53.80 1fim s LYS 66 Cb 0.00 -3.41 -0.09 0.00 -1.05 0.00 0.00 37.83 33.28 1fim s LYS 66 CO 0.00 0.21 0.77 -1.50 1.55 0.00 0.00 175.35 176.38 1fim s ILE 67 N 0.42 4.51 0.60 5.43 2.07 -1.26 -5.07 121.20 127.90 1fim s ILE 67 Ca 0.29 1.35 -0.01 0.00 -1.41 0.00 0.00 60.65 60.87 1fim s ILE 67 Cb -0.16 -3.85 0.04 0.00 0.13 0.00 0.00 42.46 38.62 1fim s ILE 67 CO 0.13 0.14 0.86 -0.83 -1.91 0.00 0.00 174.94 173.33 1fim s GLY 68 N -1.72 1.78 0.31 1.50 0.00 -1.26 -4.89 107.32 103.04 1fim s GLY 68 Ca 0.46 -1.19 -0.00 0.00 0.00 0.00 0.00 44.72 43.99 1fim s GLY 68 CO 0.21 -0.86 1.94 -1.33 0.00 0.00 0.00 173.10 173.06 1fim h GLY 69 N -0.16 0.99 1.19 0.20 0.00 -1.99 -0.45 103.07 102.84 1fim h GLY 69 Ca -0.43 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 46.35 1fim h GLY 69 CO 0.55 0.41 -0.25 0.00 0.00 0.00 0.00 176.54 177.25 1fim h ALA 70 N 1.49 0.73 -0.26 3.60 0.00 -1.99 -2.16 119.26 120.66 1fim h ALA 70 Ca 0.24 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1fim h ALA 70 Cb -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1fim h ALA 70 CO -0.04 0.67 0.08 1.96 0.00 0.00 0.00 179.25 181.91 1fim h GLN 71 N 0.79 0.40 -0.15 0.00 4.20 -1.72 -0.48 115.11 118.15 1fim h GLN 71 Ca 0.10 -0.09 0.05 0.00 0.06 0.00 0.00 58.65 58.77 1fim h GLN 71 Cb 0.81 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 1fim h GLN 71 CO 0.07 0.47 -0.29 -0.97 -0.67 0.00 0.00 178.83 177.45 1fim h ASN 72 N 0.25 -0.89 0.00 1.46 -0.73 -1.04 0.67 115.58 115.30 1fim h ASN 72 Ca 0.08 0.14 0.03 0.00 1.87 0.00 0.00 56.30 58.42 1fim h ASN 72 Cb 0.24 0.39 -0.04 0.00 0.27 0.00 0.00 38.32 39.18 1fim h ASN 72 CO -0.00 -0.33 -0.23 0.03 -0.37 0.00 0.00 177.43 176.53 1fim h ARG 73 N -0.35 -0.35 -0.47 6.67 3.08 -1.28 -0.46 114.38 121.22 1fim h ARG 73 Ca 0.10 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1fim h ARG 73 Cb 0.51 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1fim h ARG 73 CO -0.35 -0.24 0.20 -0.97 -1.07 0.00 0.00 179.97 177.55 1fim h ASN 74 N -0.37 0.60 -0.09 7.04 -1.24 -0.34 -1.80 115.58 119.38 1fim h ASN 74 Ca 0.06 -0.06 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 1fim h ASN 74 Cb 0.45 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.35 1fim h ASN 74 CO -0.21 0.53 -0.24 1.88 -1.29 0.00 0.00 177.43 178.10 1fim h TYR 75 N 0.66 0.41 0.13 0.67 -1.99 0.71 -2.71 116.97 114.85 1fim h TYR 75 Ca 0.16 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1fim h TYR 75 Cb 0.11 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 1fim h TYR 75 CO 0.01 0.85 -0.11 0.77 -0.00 0.00 0.00 178.16 179.68 1fim h SER 76 N -0.15 -0.29 -0.02 3.88 0.02 -0.95 0.25 113.55 116.30 1fim h SER 76 Ca -0.00 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1fim h SER 76 Cb 0.85 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.44 1fim h SER 76 CO 0.05 -0.17 -0.31 0.11 -1.14 0.00 0.00 176.83 175.37 1fim h LYS 77 N -0.25 -0.43 -0.14 3.45 1.57 -1.41 0.50 116.57 119.85 1fim h LYS 77 Ca -0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1fim h LYS 77 Cb 0.24 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1fim h LYS 77 CO -0.02 -0.29 0.08 1.25 -0.57 0.00 0.00 179.45 179.91 1fim h LEU 78 N -0.45 0.17 -0.34 2.94 5.85 -1.34 -2.12 115.31 120.03 1fim h LEU 78 Ca 0.07 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1fim h LEU 78 Cb 0.55 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1fim h LEU 78 CO -0.28 0.18 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.54 1fim h LEU 79 N 0.15 0.93 -0.54 2.25 3.38 -0.25 -2.15 115.31 119.08 1fim h LEU 79 Ca 0.05 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 1fim h LEU 79 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1fim h LEU 79 CO -0.01 1.22 0.12 0.00 0.09 0.00 0.00 178.44 179.86 1fim h GLY 81 N 0.76 1.09 0.79 0.00 0.00 -1.34 0.22 103.07 104.59 1fim h GLY 81 Ca 0.17 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1fim h GLY 81 CO 0.00 0.56 -0.03 -2.00 0.00 0.00 0.00 176.54 175.07 1fim h LEU 82 N 0.99 0.33 -0.48 3.11 5.85 -1.27 -1.59 115.31 122.24 1fim h LEU 82 Ca 0.23 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1fim h LEU 82 Cb 0.22 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1fim h LEU 82 CO -0.02 0.60 0.03 -0.07 -0.34 0.00 0.00 178.44 178.64 1fim h LEU 83 N 0.05 0.81 -0.23 2.25 3.38 -1.02 -1.29 115.31 119.26 1fim h LEU 83 Ca 0.05 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1fim h LEU 83 Cb 0.45 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1fim h LEU 83 CO 0.01 0.90 -0.01 0.77 0.09 0.00 0.00 178.44 180.20 1fim h SER 84 N 0.69 0.40 0.36 -0.43 4.64 -0.57 -1.18 113.55 117.46 1fim h SER 84 Ca 0.14 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 1fim h SER 84 Cb 0.46 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1fim h SER 84 CO 0.02 0.62 -0.17 0.44 -0.87 0.00 0.00 176.83 176.86 1fim h ASP 85 N 0.17 -0.41 0.51 4.97 5.19 -1.17 0.47 116.42 126.15 1fim h ASP 85 Ca 0.06 -0.06 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1fim h ASP 85 Cb 0.42 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 1fim h ASP 85 CO 0.01 -0.19 -0.62 0.03 -3.12 0.00 0.00 179.24 175.35 1fim h ARG 86 N -0.62 0.10 -0.01 3.56 2.47 -1.31 -3.29 114.38 115.28 1fim h ARG 86 Ca -0.05 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1fim h ARG 86 Cb 0.45 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1fim h ARG 86 CO 0.08 0.69 -0.00 1.28 0.56 0.00 0.00 179.97 182.58 1fim n LEU 87 N -3.83 1.92 -3.38 3.04 4.77 -0.45 -4.75 117.00 114.32 1fim n LEU 87 Ca -0.02 -1.00 -0.15 0.00 -0.03 0.00 0.00 56.01 54.82 1fim n LEU 87 Cb 0.62 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.73 1fim n LEU 87 CO 0.43 0.36 0.08 1.41 -1.33 0.00 0.00 177.39 178.35 1fim n HIS 88 N 0.62 -2.46 -4.65 -1.77 8.25 0.16 -4.98 115.22 110.38 1fim n HIS 88 Ca 0.06 0.87 -0.26 0.00 -0.26 0.00 0.00 57.72 58.14 1fim n HIS 88 Cb 0.28 -3.69 -0.14 0.00 1.12 0.00 0.00 29.99 27.56 1fim n HIS 88 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1fim s ILE 89 N -3.17 1.70 0.25 1.59 1.01 -1.16 -4.93 121.20 116.49 1fim s ILE 89 Ca 0.19 -1.22 -0.30 0.00 0.00 0.00 0.00 60.65 59.32 1fim s ILE 89 Cb -0.05 -1.48 -0.09 0.00 0.01 0.00 0.00 42.46 40.85 1fim s ILE 89 CO 0.80 0.21 1.29 -0.55 0.00 0.00 0.00 174.94 176.70 1fim s SER 90 N -1.19 6.89 0.40 3.58 0.15 -1.26 -4.36 113.70 117.91 1fim s SER 90 Ca 0.08 2.49 0.18 0.00 0.70 0.00 0.00 55.95 59.39 1fim s SER 90 Cb -0.09 -2.62 1.08 0.00 -1.71 0.00 0.00 66.02 62.68 1fim s SER 90 CO 0.02 -0.49 1.81 1.55 1.20 0.00 0.00 173.24 177.33 1fim h PRO 91 N 4.57 0.40 0.00 5.44 0.13 -1.95 0.20 132.00 140.79 1fim h PRO 91 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1fim h PRO 91 Cb 1.22 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1fim h PRO 91 CO 0.72 0.27 0.00 -0.40 -0.23 0.00 0.00 178.00 178.36 1fim n ASP 92 N -4.57 0.00 -0.42 1.44 5.68 -1.26 -2.70 116.55 114.72 1fim n ASP 92 Ca 0.23 -1.09 0.04 0.00 -0.50 0.00 0.00 54.79 53.46 1fim n ASP 92 Cb 0.79 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.88 1fim n ASP 92 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1fim n ARG 93 N -0.76 2.85 -3.78 0.11 1.74 0.69 -4.91 116.66 112.58 1fim n ARG 93 Ca 0.09 -1.96 -0.37 0.00 -0.77 0.00 0.00 57.85 54.85 1fim n ARG 93 Cb 0.04 -1.24 -0.13 0.00 -1.02 0.00 0.00 32.46 30.12 1fim n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1fim s VAL 94 N -1.24 3.75 -0.11 1.55 1.01 -1.10 -1.46 120.40 122.80 1fim s VAL 94 Ca 0.17 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1fim s VAL 94 Cb 0.11 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1fim s VAL 94 CO 0.09 -0.01 -0.08 -0.47 0.00 0.00 0.00 175.10 174.63 1fim s TYR 95 N 1.44 2.91 -0.13 5.22 5.04 0.04 -4.99 117.35 126.88 1fim s TYR 95 Ca 0.00 -0.25 0.01 0.00 -2.44 0.00 0.00 57.07 54.40 1fim s TYR 95 Cb -0.18 -1.81 0.02 0.00 0.35 0.00 0.00 41.96 40.34 1fim s TYR 95 CO 0.02 0.08 -0.15 0.42 -1.34 0.00 0.00 175.55 174.58 1fim s ILE 96 N -0.18 1.54 -0.04 3.14 1.01 -1.26 0.24 121.20 125.65 1fim s ILE 96 Ca 0.02 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 1fim s ILE 96 Cb -0.13 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1fim s ILE 96 CO 0.03 0.45 0.09 0.20 0.00 0.00 0.00 174.94 175.70 1fim s ASN 97 N 1.19 5.78 -0.15 3.58 -0.87 -0.41 -4.97 114.94 119.09 1fim s ASN 97 Ca -0.02 0.21 -0.03 0.00 -1.57 0.00 0.00 52.86 51.46 1fim s ASN 97 Cb -0.14 -1.71 -0.02 0.00 -0.02 0.00 0.00 41.25 39.36 1fim s ASN 97 CO -0.05 0.31 -0.06 -0.31 -2.57 0.00 0.00 177.10 174.41 1fim s TYR 98 N -1.13 2.95 -0.02 2.20 2.02 -1.26 -0.52 117.35 121.59 1fim s TYR 98 Ca 0.20 -0.46 0.06 0.00 -0.37 0.00 0.00 57.07 56.50 1fim s TYR 98 Cb -0.12 -1.94 -0.01 0.00 -0.40 0.00 0.00 41.96 39.49 1fim s TYR 98 CO 0.11 -0.14 -0.20 0.71 -1.57 0.00 0.00 175.55 174.47 1fim s TYR 99 N 0.47 1.81 -1.08 2.71 2.02 -0.03 -4.97 117.35 118.28 1fim s TYR 99 Ca -0.05 -0.40 -0.19 0.00 -0.37 0.00 0.00 57.07 56.06 1fim s TYR 99 Cb -0.15 -1.18 0.10 0.00 -0.40 0.00 0.00 41.96 40.33 1fim s TYR 99 CO 0.03 -0.07 1.41 0.34 -1.57 0.00 0.00 175.55 175.69 1fim s ASP 100 N -0.33 6.72 0.58 2.29 -1.08 -1.26 -1.50 116.67 122.08 1fim s ASP 100 Ca 0.04 -2.12 0.00 0.00 -0.52 0.00 0.00 52.55 49.95 1fim s ASP 100 Cb -0.09 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1fim s ASP 100 CO 0.00 -1.16 0.91 0.00 0.52 0.00 0.00 175.17 175.44 1fim n ALA 101 N 7.46 0.00 -3.34 3.66 0.00 1.28 -1.83 120.51 127.74 1fim n ALA 101 Ca 0.34 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.52 1fim n ALA 101 Cb 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 1fim n ALA 101 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1fim n ASN 102 N -2.29 -0.33 0.00 0.00 4.05 -1.22 -4.90 115.26 110.58 1fim n ASN 102 Ca 0.00 -2.45 0.00 0.00 0.45 0.00 0.00 54.58 52.58 1fim n ASN 102 Cb 0.91 -0.57 0.00 0.00 1.23 0.00 0.00 39.78 41.35 1fim n ASN 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21