#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l5t s MET 2 N 0.00 1.01 -0.13 -0.52 -1.94 -0.36 -0.50 119.30 116.86 3l5t s MET 2 Ca 0.00 -0.12 0.02 0.00 -1.71 0.00 0.00 55.69 53.88 3l5t s MET 2 Cb 0.00 -1.07 0.00 0.00 2.01 0.00 0.00 34.83 35.77 3l5t s MET 2 CO 0.00 -0.15 -0.21 0.12 -0.01 0.00 0.00 175.02 174.77 3l5t s PHE 3 N 1.27 2.67 -0.09 -0.03 5.36 -0.02 -1.14 117.98 126.00 3l5t s PHE 3 Ca -0.05 -1.20 0.04 0.00 -0.96 0.00 0.00 56.93 54.76 3l5t s PHE 3 Cb -0.14 -1.80 -0.00 0.00 -0.34 0.00 0.00 43.02 40.74 3l5t s PHE 3 CO -0.02 -0.53 -0.23 0.42 -1.46 0.00 0.00 175.22 173.39 3l5t s ILE 4 N 0.68 2.01 -0.15 3.12 -1.09 -0.38 -1.14 121.20 124.24 3l5t s ILE 4 Ca -0.10 -1.00 0.02 0.00 -2.23 0.00 0.00 60.65 57.34 3l5t s ILE 4 Cb -0.16 -1.73 0.01 0.00 -1.58 0.00 0.00 42.46 39.00 3l5t s ILE 4 CO 0.01 0.55 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.38 3l5t s VAL 5 N 0.28 2.00 -0.16 2.92 1.01 0.13 -1.31 120.40 125.26 3l5t s VAL 5 Ca -0.16 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 3l5t s VAL 5 Cb -0.17 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3l5t s VAL 5 CO 0.08 0.53 -0.06 0.20 0.00 0.00 0.00 175.10 175.85 3l5t s ASN 6 N 1.04 4.53 0.06 3.32 0.01 -0.20 -0.03 114.94 123.67 3l5t s ASN 6 Ca -0.02 -0.22 -0.09 0.00 -0.71 0.00 0.00 52.86 51.82 3l5t s ASN 6 Cb -0.14 -1.74 0.00 0.00 0.41 0.00 0.00 41.25 39.78 3l5t s ASN 6 CO -0.07 0.14 0.20 0.28 -1.51 0.00 0.00 177.10 176.14 3l5t s THR 7 N 0.55 0.12 -2.18 1.60 -1.32 -0.21 -0.79 115.64 113.40 3l5t s THR 7 Ca -0.04 -0.98 0.27 0.00 -1.21 0.00 0.00 61.69 59.73 3l5t s THR 7 Cb -0.15 -1.06 0.38 0.00 -1.51 0.00 0.00 72.50 70.17 3l5t s THR 7 CO 0.03 -0.54 1.61 -0.46 -2.21 0.00 0.00 174.62 173.05 3l5t n ASN 8 N 0.43 1.41 -4.78 8.08 6.94 -1.23 -1.24 115.26 124.86 3l5t n ASN 8 Ca -0.18 -1.26 -0.41 0.00 -0.02 0.00 0.00 54.58 52.71 3l5t n ASN 8 Cb 0.60 0.08 -0.00 0.00 -2.36 0.00 0.00 39.78 38.10 3l5t n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3l5t s VAL 9 N -2.24 2.08 0.50 3.53 1.01 -1.26 -4.18 120.40 119.84 3l5t s VAL 9 Ca 0.31 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 3l5t s VAL 9 Cb 0.20 -3.05 -0.06 0.00 0.00 0.00 0.00 36.38 33.47 3l5t s VAL 9 CO 0.42 0.02 1.31 -2.84 0.00 0.00 0.00 175.10 174.02 3l5t s PRO 10 N -2.03 3.41 0.30 2.72 0.02 -1.26 -0.82 135.00 137.34 3l5t s PRO 10 Ca 0.53 2.13 0.05 0.00 0.02 0.00 0.00 61.00 63.74 3l5t s PRO 10 Cb -0.46 -2.37 0.75 0.00 0.02 0.00 0.00 34.50 32.43 3l5t s PRO 10 CO 0.62 -0.94 1.74 -0.09 -0.33 0.00 0.00 177.00 178.00 3l5t h ARG 11 N 1.79 0.57 0.00 5.54 9.65 -1.93 0.27 114.38 130.27 3l5t h ARG 11 Ca -0.50 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.34 3l5t h ARG 11 Cb 1.28 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3l5t h ARG 11 CO 0.59 0.38 -0.01 0.00 2.80 0.00 0.00 179.97 183.73 3l5t h ALA 12 N 1.68 1.02 -0.01 2.80 0.00 -2.03 -1.43 119.26 121.29 3l5t h ALA 12 Ca 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3l5t h ALA 12 Cb 1.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3l5t h ALA 12 CO -0.45 0.01 -0.21 0.43 0.00 0.00 0.00 179.25 179.04 3l5t n SER 13 N -3.13 0.77 -4.58 0.00 7.64 0.08 -4.72 113.62 109.68 3l5t n SER 13 Ca -0.01 -0.71 -0.43 0.00 1.01 0.00 0.00 58.87 58.73 3l5t n SER 13 Cb 0.18 0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 3l5t n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3l5t s VAL 14 N -2.53 4.52 0.35 0.44 1.01 -0.54 -4.73 120.40 118.92 3l5t s VAL 14 Ca 0.25 0.93 -0.28 0.00 0.00 0.00 0.00 61.98 62.88 3l5t s VAL 14 Cb 0.19 -4.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 3l5t s VAL 14 CO 0.51 -0.71 1.28 -2.16 0.00 0.00 0.00 175.10 174.02 3l5t s PRO 15 N 3.63 4.24 0.39 2.72 0.04 -1.26 -4.96 135.00 139.80 3l5t s PRO 15 Ca 0.37 2.13 -0.27 0.00 0.04 0.00 0.00 61.00 63.28 3l5t s PRO 15 Cb -0.11 -2.96 -0.11 0.00 0.04 0.00 0.00 34.50 31.37 3l5t s PRO 15 CO 0.23 -0.25 1.37 -0.25 0.04 0.00 0.00 177.00 178.14 3l5t n ASP 16 N 0.57 3.12 0.00 6.66 10.43 -1.26 -1.72 116.55 134.36 3l5t n ASP 16 Ca 0.01 1.18 0.00 0.00 2.57 0.00 0.00 54.79 58.55 3l5t n ASP 16 Cb 0.43 -1.55 0.00 0.00 1.84 0.00 0.00 41.12 41.84 3l5t n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3l5t n GLY 17 N 0.65 1.09 0.18 0.44 0.00 -1.26 -4.93 105.19 101.35 3l5t n GLY 17 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3l5t n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3l5t h PHE 18 N 0.00 0.58 -0.79 1.61 3.57 -1.71 0.68 116.94 120.88 3l5t h PHE 18 Ca 0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3l5t h PHE 18 Cb 0.00 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 3l5t h PHE 18 CO 0.00 0.58 0.51 -0.07 -2.23 0.00 0.00 178.31 177.10 3l5t h LEU 19 N 0.41 0.92 -0.79 0.59 3.38 -1.92 0.07 115.31 117.98 3l5t h LEU 19 Ca 0.11 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3l5t h LEU 19 Cb 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3l5t h LEU 19 CO -0.00 0.68 0.17 0.28 0.09 0.00 0.00 178.44 179.66 3l5t h SER 20 N 1.08 1.02 -0.37 -0.43 0.02 -1.90 -1.02 113.55 111.95 3l5t h SER 20 Ca 0.29 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 3l5t h SER 20 Cb -0.10 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.16 3l5t h SER 20 CO -0.06 0.98 -0.11 -0.08 -1.14 0.00 0.00 176.83 176.42 3l5t h GLU 21 N 1.03 0.73 -0.78 3.45 4.81 -0.34 -1.52 114.58 121.96 3l5t h GLU 21 Ca 0.22 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3l5t h GLU 21 Cb 0.35 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 3l5t h GLU 21 CO 0.00 0.89 0.50 -0.07 -0.73 0.00 0.00 179.01 179.60 3l5t h LEU 22 N 0.53 0.90 -0.19 1.64 3.38 -0.87 -0.91 115.31 119.79 3l5t h LEU 22 Ca 0.09 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3l5t h LEU 22 Cb 0.63 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3l5t h LEU 22 CO 0.04 0.67 0.10 0.74 0.09 0.00 0.00 178.44 180.08 3l5t h THR 23 N 1.06 1.11 -0.37 0.22 2.02 -0.92 -0.56 112.91 115.46 3l5t h THR 23 Ca 0.28 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3l5t h THR 23 Cb -0.10 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3l5t h THR 23 CO -0.06 0.10 0.08 -0.61 0.37 0.00 0.00 175.52 175.40 3l5t h GLN 24 N 0.20 0.60 -0.36 6.66 -0.00 -1.06 -1.73 115.11 119.42 3l5t h GLN 24 Ca 0.07 -0.15 -0.11 0.00 -0.00 0.00 0.00 58.65 58.45 3l5t h GLN 24 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 3l5t h GLN 24 CO -0.01 0.65 -0.22 1.96 0.00 0.00 0.00 178.83 181.21 3l5t h GLN 25 N 0.45 0.70 -0.18 1.69 1.08 -1.05 -1.91 115.11 115.90 3l5t h GLN 25 Ca 0.11 -0.27 -0.17 0.00 -1.45 0.00 0.00 58.65 56.87 3l5t h GLN 25 Cb 0.33 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.72 3l5t h GLN 25 CO 0.00 0.86 -0.60 -0.07 -0.95 0.00 0.00 178.83 178.08 3l5t h LEU 26 N 0.61 0.68 -0.46 1.46 3.38 -1.03 -0.56 115.31 119.39 3l5t h LEU 26 Ca 0.09 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3l5t h LEU 26 Cb 0.71 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3l5t h LEU 26 CO 0.05 1.12 0.24 0.00 0.09 0.00 0.00 178.44 179.94 3l5t h ALA 27 N 0.89 0.59 -0.39 1.53 0.00 -1.14 -0.09 119.26 120.64 3l5t h ALA 27 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3l5t h ALA 27 Cb 1.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3l5t h ALA 27 CO 0.11 0.13 0.18 0.37 0.00 0.00 0.00 179.25 180.05 3l5t h GLN 28 N 0.60 0.57 -0.23 0.00 4.15 -1.25 -0.40 115.11 118.55 3l5t h GLN 28 Ca 0.16 -0.09 -0.16 0.00 0.77 0.00 0.00 58.65 59.33 3l5t h GLN 28 Cb 0.08 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3l5t h GLN 28 CO -0.02 0.51 -0.51 0.00 -1.93 0.00 0.00 178.83 176.87 3l5t h ALA 29 N 1.03 0.67 0.00 3.38 0.00 -0.84 -3.22 119.26 120.29 3l5t h ALA 29 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3l5t h ALA 29 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3l5t h ALA 29 CO -0.02 0.68 -1.17 0.25 0.00 0.00 0.00 179.25 178.99 3l5t n THR 30 N -3.99 0.42 -0.88 0.00 -2.24 -0.07 -4.94 114.28 102.58 3l5t n THR 30 Ca -0.03 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3l5t n THR 30 Cb 0.59 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3l5t n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3l5t n GLY 31 N 1.23 1.03 3.82 3.38 0.00 -0.17 -4.97 105.19 109.51 3l5t n GLY 31 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3l5t n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l5t s LYS 32 N -0.08 4.20 0.40 1.61 -0.14 -1.18 -5.01 119.74 119.55 3l5t s LYS 32 Ca 0.00 1.10 -0.25 0.00 -1.36 0.00 0.00 55.97 55.46 3l5t s LYS 32 Cb 0.00 -2.18 -0.08 0.00 -1.68 0.00 0.00 37.83 33.89 3l5t s LYS 32 CO 0.00 -0.05 1.19 -1.25 -0.76 0.00 0.00 175.35 174.48 3l5t s PRO 33 N -3.26 4.05 0.56 -1.68 0.04 -1.26 -4.51 135.00 128.94 3l5t s PRO 33 Ca 0.62 1.88 0.24 0.00 0.04 0.00 0.00 61.00 63.78 3l5t s PRO 33 Cb -0.09 -2.70 1.59 0.00 0.04 0.00 0.00 34.50 33.34 3l5t s PRO 33 CO 0.15 -0.33 2.20 -1.00 0.04 0.00 0.00 177.00 178.05 3l5t h PRO 34 N 2.66 0.00 -0.02 0.56 0.13 -1.91 -1.61 132.00 131.81 3l5t h PRO 34 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3l5t h PRO 34 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 3l5t h PRO 34 CO 0.63 0.00 0.02 1.96 -0.23 0.00 0.00 178.00 180.38 3l5t h GLN 35 N 0.00 0.00 -0.47 0.86 7.50 -1.98 -1.72 115.11 119.31 3l5t h GLN 35 Ca 0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.16 3l5t h GLN 35 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.59 3l5t h GLN 35 CO -0.00 0.00 0.00 0.66 -1.50 0.00 0.00 178.83 177.99 3l5t n TYR 36 N -3.65 0.61 -3.48 2.96 4.01 -0.61 -4.94 117.16 112.06 3l5t n TYR 36 Ca -0.03 -0.36 -0.37 0.00 -0.16 0.00 0.00 57.90 56.99 3l5t n TYR 36 Cb 0.10 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.06 3l5t n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3l5t s ILE 37 N -1.20 5.27 -0.02 -0.72 -1.09 -0.65 -1.82 121.20 120.99 3l5t s ILE 37 Ca 0.37 0.62 0.07 0.00 -2.23 0.00 0.00 60.65 59.48 3l5t s ILE 37 Cb 0.21 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.39 3l5t s ILE 37 CO 0.28 0.35 -0.21 0.00 -1.23 0.00 0.00 174.94 174.13 3l5t s ALA 38 N 0.67 2.39 0.02 9.38 0.00 0.34 -4.97 121.76 129.59 3l5t s ALA 38 Ca 0.18 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 51.07 3l5t s ALA 38 Cb -0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 3l5t s ALA 38 CO 0.05 0.54 -0.08 0.08 0.00 0.00 0.00 175.76 176.36 3l5t s VAL 39 N -0.71 0.61 -0.15 0.00 1.01 -1.26 -0.84 120.40 119.07 3l5t s VAL 39 Ca 0.11 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3l5t s VAL 39 Cb -0.10 -0.59 0.07 0.00 0.00 0.00 0.00 36.38 35.76 3l5t s VAL 39 CO 0.00 -0.07 0.30 -2.28 0.00 0.00 0.00 175.10 173.05 3l5t s HIS 40 N -0.71 -0.52 -0.10 5.22 5.04 -0.30 -4.97 115.29 118.96 3l5t s HIS 40 Ca -0.02 1.11 0.04 0.00 -1.54 0.00 0.00 55.06 54.65 3l5t s HIS 40 Cb -0.06 0.05 0.00 0.00 0.04 0.00 0.00 32.58 32.61 3l5t s HIS 40 CO 0.00 -0.38 -0.24 0.08 -2.34 0.00 0.00 174.74 171.86 3l5t s VAL 41 N 2.44 2.03 -0.39 0.89 1.01 -1.26 -0.70 120.40 124.43 3l5t s VAL 41 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.00 3l5t s VAL 41 Cb -0.12 -1.76 0.11 0.00 0.00 0.00 0.00 36.38 34.62 3l5t s VAL 41 CO -0.10 0.55 0.15 -0.69 0.00 0.00 0.00 175.10 175.02 3l5t s VAL 42 N 0.34 1.71 0.84 2.92 1.01 0.95 -4.98 120.40 123.19 3l5t s VAL 42 Ca -0.19 -2.31 -0.11 0.00 0.00 0.00 0.00 61.98 59.38 3l5t s VAL 42 Cb -0.18 -2.23 0.14 0.00 0.00 0.00 0.00 36.38 34.10 3l5t s VAL 42 CO 0.09 -0.73 1.18 -2.16 0.00 0.00 0.00 175.10 173.47 3l5t s PRO 43 N 0.75 1.39 -1.59 2.72 0.04 -1.26 -1.05 135.00 136.00 3l5t s PRO 43 Ca 0.13 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.80 3l5t s PRO 43 Cb -0.21 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3l5t s PRO 43 CO -0.09 -1.86 0.00 -0.25 0.04 0.00 0.00 177.00 174.84 3l5t n ASP 44 N -3.36 -5.10 -4.83 6.66 8.00 0.00 -4.84 116.55 113.08 3l5t n ASP 44 Ca 0.12 0.11 -0.33 0.00 0.71 0.00 0.00 54.79 55.41 3l5t n ASP 44 Cb 0.60 -4.17 -0.06 0.00 -0.02 0.00 0.00 41.12 37.47 3l5t n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3l5t s GLN 45 N -4.47 4.10 -0.67 -1.24 -1.52 -0.38 -4.95 119.66 110.54 3l5t s GLN 45 Ca 0.00 0.93 -0.22 0.00 -1.95 0.00 0.00 55.36 54.11 3l5t s GLN 45 Cb 0.00 -2.26 0.07 0.00 -0.22 0.00 0.00 33.01 30.60 3l5t s GLN 45 CO 0.00 -0.01 0.98 -1.17 -0.25 0.00 0.00 175.29 174.84 3l5t s LEU 46 N -3.28 4.39 0.05 2.90 2.96 -1.26 -4.17 118.68 120.27 3l5t s LEU 46 Ca 0.59 -1.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3l5t s LEU 46 Cb -0.10 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 3l5t s LEU 46 CO 0.18 -1.44 -0.05 -0.04 -1.32 0.00 0.00 176.35 173.68 3l5t s MET 47 N 4.05 0.58 0.04 1.98 -1.94 -1.26 -5.08 119.30 117.66 3l5t s MET 47 Ca 0.23 -1.00 0.03 0.00 -1.71 0.00 0.00 55.69 53.23 3l5t s MET 47 Cb -0.16 -0.03 -0.02 0.00 2.01 0.00 0.00 34.83 36.62 3l5t s MET 47 CO 0.09 -0.04 -0.08 0.00 -0.01 0.00 0.00 175.02 174.98 3l5t s ALA 48 N -2.69 0.65 -0.15 3.03 0.00 -1.26 -4.58 121.76 116.77 3l5t s ALA 48 Ca -0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 3l5t s ALA 48 Cb -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.13 3l5t s ALA 48 CO -0.04 0.04 -0.03 0.12 0.00 0.00 0.00 175.76 175.85 3l5t s PHE 49 N -1.07 1.38 -1.52 0.00 2.19 -0.21 -4.73 117.98 114.02 3l5t s PHE 49 Ca -0.06 -0.84 0.00 0.00 0.33 0.00 0.00 56.93 56.37 3l5t s PHE 49 Cb -0.08 -1.17 0.00 0.00 -1.31 0.00 0.00 43.02 40.46 3l5t s PHE 49 CO 0.01 -0.55 0.00 0.41 1.83 0.00 0.00 175.22 176.92 3l5t n GLY 50 N 4.96 0.69 2.11 13.12 0.00 -1.26 -2.09 105.19 122.72 3l5t n GLY 50 Ca -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3l5t n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3l5t n GLY 51 N -1.03 1.05 3.62 -0.02 0.00 -1.26 -5.04 105.19 102.52 3l5t n GLY 51 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3l5t n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3l5t s SER 52 N -3.06 4.76 -0.24 1.61 0.15 -0.89 -5.03 113.70 111.00 3l5t s SER 52 Ca 0.00 -0.14 0.14 0.00 0.70 0.00 0.00 55.95 56.65 3l5t s SER 52 Cb 0.00 -1.13 0.68 0.00 -1.71 0.00 0.00 66.02 63.86 3l5t s SER 52 CO 0.00 0.26 1.63 -1.54 1.20 0.00 0.00 173.24 174.79 3l5t n SER 53 N 1.35 4.59 -4.61 5.45 3.41 -1.26 -1.04 113.62 121.50 3l5t n SER 53 Ca -0.15 -3.11 -0.30 0.00 -0.26 0.00 0.00 58.87 55.06 3l5t n SER 53 Cb 0.52 -0.65 0.19 0.00 -0.26 0.00 0.00 64.21 64.02 3l5t n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3l5t s GLU 54 N -2.89 0.33 0.19 4.33 0.41 -1.26 -4.88 118.70 114.93 3l5t s GLU 54 Ca 0.50 1.10 -0.32 0.00 -0.41 0.00 0.00 54.97 55.83 3l5t s GLU 54 Cb 0.40 -1.68 -0.15 0.00 -1.78 0.00 0.00 34.13 30.92 3l5t s GLU 54 CO 0.11 -2.96 1.30 -2.30 -0.49 0.00 0.00 175.26 170.93 3l5t n PRO 55 N -4.41 1.57 -3.98 0.39 -0.02 -1.26 -4.86 135.00 122.43 3l5t n PRO 55 Ca 0.07 0.56 -0.09 0.00 -2.02 0.00 0.00 63.50 62.02 3l5t n PRO 55 Cb 0.54 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3l5t n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3l5t s ALA 57 N -3.96 -0.67 -0.15 0.00 0.00 -0.74 -3.49 121.76 112.74 3l5t s ALA 57 Ca 0.21 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.78 3l5t s ALA 57 Cb -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3l5t s ALA 57 CO 0.09 -0.17 -0.18 -0.51 0.00 0.00 0.00 175.76 174.99 3l5t s LEU 58 N -0.32 2.29 0.23 0.00 1.43 0.03 -1.89 118.68 120.45 3l5t s LEU 58 Ca -0.04 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.57 3l5t s LEU 58 Cb -0.03 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 3l5t s LEU 58 CO 0.01 0.07 -0.08 0.00 0.23 0.00 0.00 176.35 176.58 3l5t s SER 60 N -3.34 0.36 -0.17 0.00 0.01 -0.43 -0.89 113.70 109.24 3l5t s SER 60 Ca 0.25 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.35 3l5t s SER 60 Cb 0.03 -0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.28 3l5t s SER 60 CO 0.08 -0.04 -0.12 -0.22 0.41 0.00 0.00 173.24 173.35 3l5t s LEU 61 N -0.42 1.93 -0.15 2.44 2.96 -0.22 -1.25 118.68 123.97 3l5t s LEU 61 Ca -0.02 -0.67 -0.05 0.00 -0.22 0.00 0.00 54.13 53.17 3l5t s LEU 61 Cb -0.03 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 3l5t s LEU 61 CO -0.00 -0.10 0.02 -1.00 -1.32 0.00 0.00 176.35 173.94 3l5t s HIS 62 N 1.46 3.17 -0.04 5.38 3.76 -0.29 -1.10 115.29 127.62 3l5t s HIS 62 Ca 0.02 -0.01 -0.13 0.00 -0.15 0.00 0.00 55.06 54.79 3l5t s HIS 62 Cb -0.14 -1.97 0.02 0.00 1.11 0.00 0.00 32.58 31.60 3l5t s HIS 62 CO -0.09 0.18 0.29 0.45 -0.85 0.00 0.00 174.74 174.71 3l5t s SER 63 N 0.05 -0.20 -0.73 1.40 0.15 -0.68 -1.22 113.70 112.47 3l5t s SER 63 Ca 0.03 0.20 -0.23 0.00 0.70 0.00 0.00 55.95 56.66 3l5t s SER 63 Cb -0.13 0.39 0.07 0.00 -1.71 0.00 0.00 66.02 64.65 3l5t s SER 63 CO 0.02 -0.34 1.06 -0.63 1.20 0.00 0.00 173.24 174.54 3l5t s ILE 64 N -0.91 4.27 0.01 6.45 1.01 -1.26 -0.06 121.20 130.71 3l5t s ILE 64 Ca -0.10 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3l5t s ILE 64 Cb -0.05 -4.75 0.00 0.00 0.01 0.00 0.00 42.46 37.67 3l5t s ILE 64 CO 0.03 -1.55 0.00 0.61 0.00 0.00 0.00 174.94 174.03 3l5t n GLY 65 N 5.44 -2.26 2.42 6.18 0.00 -1.26 -4.94 105.19 110.78 3l5t n GLY 65 Ca 0.03 -1.53 -0.15 0.00 0.00 0.00 0.00 46.02 44.36 3l5t n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3l5t n LYS 66 N -1.10 -1.10 -5.10 1.61 4.76 -1.26 -4.92 118.16 111.05 3l5t n LYS 66 Ca 0.00 0.99 -0.32 0.00 -2.87 0.00 0.00 58.31 56.11 3l5t n LYS 66 Cb 0.02 -5.19 -0.16 0.00 -1.84 0.00 0.00 35.03 27.87 3l5t n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3l5t s ILE 67 N -2.61 2.41 0.00 -0.18 -1.09 -1.26 -4.84 121.20 113.62 3l5t s ILE 67 Ca 0.00 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 3l5t s ILE 67 Cb 0.00 -1.93 0.00 0.00 -1.58 0.00 0.00 42.46 38.95 3l5t s ILE 67 CO 0.00 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 3l5t n GLY 68 N 3.13 -0.28 0.11 6.18 0.00 -1.26 -4.98 105.19 108.09 3l5t n GLY 68 Ca -0.18 -1.02 -0.03 0.00 0.00 0.00 0.00 46.02 44.79 3l5t n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3l5t h GLY 69 N 0.00 -1.60 1.36 -0.02 0.00 -1.99 0.28 103.07 101.10 3l5t h GLY 69 Ca 0.00 0.75 -0.15 0.00 0.00 0.00 0.00 47.33 47.93 3l5t h GLY 69 CO 0.00 -0.55 -0.44 0.00 0.00 0.00 0.00 176.54 175.55 3l5t h ALA 70 N -1.07 0.72 -0.72 3.60 0.00 -2.00 -2.68 119.26 117.11 3l5t h ALA 70 Ca 0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3l5t h ALA 70 Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3l5t h ALA 70 CO -0.13 0.67 0.23 1.96 0.00 0.00 0.00 179.25 181.98 3l5t h GLN 71 N 0.56 1.11 -0.13 0.00 4.20 -1.89 -1.89 115.11 117.07 3l5t h GLN 71 Ca 0.04 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.41 3l5t h GLN 71 Cb 0.98 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3l5t h GLN 71 CO 0.09 0.94 -0.39 -0.91 -0.67 0.00 0.00 178.83 177.89 3l5t h ASN 72 N 1.05 0.30 -0.71 1.46 2.35 -0.34 0.06 115.58 119.75 3l5t h ASN 72 Ca 0.23 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 3l5t h ASN 72 Cb 0.29 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3l5t h ASN 72 CO -0.01 0.66 0.19 0.03 -1.65 0.00 0.00 177.43 176.66 3l5t h ARG 73 N 0.24 1.14 -0.44 0.81 3.08 -1.16 -0.44 114.38 117.61 3l5t h ARG 73 Ca 0.02 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 3l5t h ARG 73 Cb 0.80 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3l5t h ARG 73 CO 0.06 0.99 -0.05 1.03 -1.07 0.00 0.00 179.97 180.94 3l5t h SER 74 N 1.08 0.80 -0.84 7.04 0.87 -0.85 -2.39 113.55 119.26 3l5t h SER 74 Ca 0.23 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 3l5t h SER 74 Cb 0.35 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 3l5t h SER 74 CO -0.00 0.94 0.47 1.88 -0.53 0.00 0.00 176.83 179.59 3l5t h TYR 75 N 0.64 1.14 -0.59 2.24 0.05 -0.78 -2.08 116.97 117.59 3l5t h TYR 75 Ca 0.12 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 3l5t h TYR 75 Cb 0.56 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 3l5t h TYR 75 CO 0.04 0.79 0.19 0.77 -1.05 0.00 0.00 178.16 178.90 3l5t h SER 76 N 1.16 0.85 -0.50 3.88 0.02 -0.88 0.17 113.55 118.26 3l5t h SER 76 Ca 0.30 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3l5t h SER 76 Cb 0.02 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3l5t h SER 76 CO -0.05 0.83 0.14 0.50 -1.14 0.00 0.00 176.83 177.10 3l5t h LYS 77 N 0.83 0.80 0.12 3.45 3.64 -1.29 -0.44 116.57 123.69 3l5t h LYS 77 Ca 0.19 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3l5t h LYS 77 Cb 0.28 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3l5t h LYS 77 CO -0.01 0.76 -0.06 1.25 -2.27 0.00 0.00 179.45 179.12 3l5t h LEU 78 N 0.69 -0.14 -0.14 5.20 5.85 -1.04 -1.69 115.31 124.05 3l5t h LEU 78 Ca 0.16 -0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.63 3l5t h LEU 78 Cb 0.31 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.38 3l5t h LEU 78 CO -0.00 -0.01 -0.55 -0.07 -0.34 0.00 0.00 178.44 177.47 3l5t h LEU 79 N -0.27 0.73 -1.10 2.25 3.38 -0.61 -1.99 115.31 117.69 3l5t h LEU 79 Ca -0.02 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 3l5t h LEU 79 Cb 0.22 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3l5t h LEU 79 CO 0.03 1.22 0.44 0.00 0.09 0.00 0.00 178.44 180.22 3l5t h GLY 81 N 1.10 0.78 1.03 0.00 0.00 -1.05 0.88 103.07 105.82 3l5t h GLY 81 Ca 0.28 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 3l5t h GLY 81 CO -0.05 0.31 -0.03 1.41 0.00 0.00 0.00 176.54 178.19 3l5t h LEU 82 N 0.73 0.91 -0.81 3.11 3.38 -0.98 0.01 115.31 121.66 3l5t h LEU 82 Ca 0.19 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 3l5t h LEU 82 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3l5t h LEU 82 CO -0.04 1.01 -0.23 -0.07 0.09 0.00 0.00 178.44 179.20 3l5t h LEU 83 N 0.79 0.64 0.10 1.67 3.38 -0.84 0.11 115.31 121.16 3l5t h LEU 83 Ca 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3l5t h LEU 83 Cb 0.56 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3l5t h LEU 83 CO 0.03 0.86 -0.05 0.00 0.09 0.00 0.00 178.44 179.38 3l5t h ALA 84 N 1.19 -0.14 -0.55 1.53 0.00 -0.68 -0.72 119.26 119.88 3l5t h ALA 84 Ca 0.08 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3l5t h ALA 84 Cb 0.70 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3l5t h ALA 84 CO 0.05 -0.37 -0.03 1.49 0.00 0.00 0.00 179.25 180.39 3l5t h GLU 85 N -0.57 1.00 0.02 0.00 4.81 -0.90 -1.12 114.58 117.83 3l5t h GLU 85 Ca -0.01 -0.34 -0.35 0.00 -0.13 0.00 0.00 59.36 58.53 3l5t h GLU 85 Cb 0.46 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 3l5t h GLU 85 CO 0.02 1.02 -2.15 0.54 -0.73 0.00 0.00 179.01 177.71 3l5t n ARG 86 N -4.22 0.68 0.00 1.92 5.12 0.37 -4.45 116.66 116.08 3l5t n ARG 86 Ca 0.02 0.16 0.04 0.00 -1.93 0.00 0.00 57.85 56.14 3l5t n ARG 86 Cb 0.36 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 3l5t n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3l5t n LEU 87 N -3.08 1.18 -2.25 0.55 4.77 -0.36 -4.65 117.00 113.15 3l5t n LEU 87 Ca -0.31 -0.79 -0.17 0.00 -0.03 0.00 0.00 56.01 54.70 3l5t n LEU 87 Cb 1.07 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.18 3l5t n LEU 87 CO 0.40 0.24 -0.07 0.54 -1.33 0.00 0.00 177.39 177.17 3l5t n ARG 88 N -0.20 -3.05 -3.61 3.23 5.12 -0.42 -4.96 116.66 112.77 3l5t n ARG 88 Ca 0.04 0.75 -0.36 0.00 -1.93 0.00 0.00 57.85 56.35 3l5t n ARG 88 Cb 0.18 -5.20 -0.08 0.00 -1.16 0.00 0.00 32.46 26.20 3l5t n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3l5t s ILE 89 N -2.97 5.34 0.24 0.55 1.01 -0.91 -4.93 121.20 119.53 3l5t s ILE 89 Ca 0.16 0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.88 3l5t s ILE 89 Cb -0.07 -3.56 -0.10 0.00 0.01 0.00 0.00 42.46 38.74 3l5t s ILE 89 CO 0.20 0.38 1.39 -0.55 0.00 0.00 0.00 174.94 176.36 3l5t s SER 90 N 0.63 6.74 0.55 3.58 0.15 -1.26 -3.16 113.70 120.93 3l5t s SER 90 Ca 0.12 2.59 0.23 0.00 0.70 0.00 0.00 55.95 59.59 3l5t s SER 90 Cb -0.13 -2.62 1.45 0.00 -1.71 0.00 0.00 66.02 63.01 3l5t s SER 90 CO 0.02 -0.63 2.10 -0.65 1.20 0.00 0.00 173.24 175.28 3l5t h PRO 91 N 5.01 0.00 -0.06 5.44 0.11 -1.97 -0.11 132.00 140.42 3l5t h PRO 91 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3l5t h PRO 91 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3l5t h PRO 91 CO 0.77 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 3l5t n ASP 92 N -4.25 0.46 -0.91 -2.05 5.75 -1.26 -2.79 116.55 111.49 3l5t n ASP 92 Ca 0.02 -1.67 -0.00 0.00 -0.01 0.00 0.00 54.79 53.12 3l5t n ASP 92 Cb 0.30 -0.04 0.17 0.00 -1.03 0.00 0.00 41.12 40.51 3l5t n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3l5t n ARG 93 N -0.40 1.96 -4.84 0.11 1.74 -0.05 -5.01 116.66 110.16 3l5t n ARG 93 Ca 0.11 -3.45 -0.27 0.00 -0.77 0.00 0.00 57.85 53.46 3l5t n ARG 93 Cb 0.11 -1.71 -0.16 0.00 -1.02 0.00 0.00 32.46 29.68 3l5t n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3l5t s VAL 94 N -3.44 1.48 -0.05 1.55 1.01 -1.12 -1.80 120.40 118.03 3l5t s VAL 94 Ca 0.40 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3l5t s VAL 94 Cb 0.38 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 3l5t s VAL 94 CO -0.05 0.43 -0.15 -0.31 0.00 0.00 0.00 175.10 175.02 3l5t s TYR 95 N 0.35 2.67 -0.15 5.22 2.02 -0.79 -5.00 117.35 121.67 3l5t s TYR 95 Ca -0.12 -0.22 -0.00 0.00 -0.37 0.00 0.00 57.07 56.37 3l5t s TYR 95 Cb -0.15 -1.63 0.03 0.00 -0.40 0.00 0.00 41.96 39.81 3l5t s TYR 95 CO 0.04 0.14 -0.10 0.42 -1.57 0.00 0.00 175.55 174.49 3l5t s ILE 96 N -0.66 1.30 -0.19 2.71 1.01 -1.26 -0.45 121.20 123.66 3l5t s ILE 96 Ca 0.10 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 59.99 3l5t s ILE 96 Cb -0.11 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3l5t s ILE 96 CO 0.01 0.33 0.60 0.20 0.00 0.00 0.00 174.94 176.08 3l5t s ASN 97 N 1.58 6.67 -0.14 3.58 0.01 -0.07 -4.96 114.94 121.62 3l5t s ASN 97 Ca 0.03 0.81 -0.08 0.00 -0.71 0.00 0.00 52.86 52.92 3l5t s ASN 97 Cb -0.14 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 3l5t s ASN 97 CO -0.09 -0.24 0.13 -0.31 -1.51 0.00 0.00 177.10 175.08 3l5t s TYR 98 N 1.77 3.52 -0.11 2.20 2.02 -1.26 -1.06 117.35 124.42 3l5t s TYR 98 Ca 0.28 0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 57.42 3l5t s TYR 98 Cb -0.16 -1.99 0.02 0.00 -0.40 0.00 0.00 41.96 39.43 3l5t s TYR 98 CO 0.10 0.59 -0.08 0.71 -1.57 0.00 0.00 175.55 175.30 3l5t s TYR 99 N -0.61 1.52 -0.54 2.71 2.02 -0.26 -4.97 117.35 117.21 3l5t s TYR 99 Ca 0.13 -0.76 -0.24 0.00 -0.37 0.00 0.00 57.07 55.83 3l5t s TYR 99 Cb -0.12 -1.24 0.04 0.00 -0.40 0.00 0.00 41.96 40.24 3l5t s TYR 99 CO 0.02 -0.51 0.90 0.34 -1.57 0.00 0.00 175.55 174.74 3l5t s ASP 100 N 1.64 6.33 0.07 2.29 -1.08 -1.26 -1.69 116.67 122.97 3l5t s ASP 100 Ca 0.04 -0.41 -0.20 0.00 -0.52 0.00 0.00 52.55 51.46 3l5t s ASP 100 Cb -0.13 -2.42 -0.07 0.00 -1.46 0.00 0.00 42.92 38.85 3l5t s ASP 100 CO -0.08 -1.18 0.59 -0.04 0.52 0.00 0.00 175.17 174.98 3l5t s MET 101 N 3.79 4.24 0.28 4.34 -1.94 0.91 -4.92 119.30 126.01 3l5t s MET 101 Ca 0.29 0.77 -0.29 0.00 -1.71 0.00 0.00 55.69 54.75 3l5t s MET 101 Cb -0.13 -3.25 -0.09 0.00 2.01 0.00 0.00 34.83 33.36 3l5t s MET 101 CO 0.18 0.60 1.01 1.21 -0.01 0.00 0.00 175.02 178.02 3l5t s ASN 102 N -1.01 7.37 0.47 3.03 2.47 -1.26 -4.11 114.94 121.90 3l5t s ASN 102 Ca 0.30 2.07 0.18 0.00 0.42 0.00 0.00 52.86 55.82 3l5t s ASN 102 Cb -0.20 -2.61 1.17 0.00 -1.45 0.00 0.00 41.25 38.17 3l5t s ASN 102 CO 0.19 -0.06 2.00 0.00 -3.72 0.00 0.00 177.10 175.52 3l5t h ALA 103 N 3.71 2.17 0.00 1.71 0.00 -1.95 0.10 119.26 125.01 3l5t h ALA 103 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3l5t h ALA 103 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3l5t h ALA 103 CO 0.67 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3l5t h ALA 104 N 1.75 1.00 -0.54 0.00 0.00 -1.92 -2.68 119.26 116.87 3l5t h ALA 104 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3l5t h ALA 104 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3l5t h ALA 104 CO -0.04 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.30 3l5t n ASN 105 N -2.74 4.38 -4.04 0.00 5.03 0.35 -4.83 115.26 113.42 3l5t n ASN 105 Ca 0.02 -2.49 -0.32 0.00 0.87 0.00 0.00 54.58 52.67 3l5t n ASN 105 Cb 0.32 -0.52 -0.16 0.00 -1.02 0.00 0.00 39.78 38.40 3l5t n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3l5t s VAL 106 N -1.90 1.91 0.25 2.41 1.01 -1.15 -4.90 120.40 118.03 3l5t s VAL 106 Ca 0.46 -1.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 3l5t s VAL 106 Cb 0.30 -1.97 -0.08 0.00 0.00 0.00 0.00 36.38 34.63 3l5t s VAL 106 CO 0.21 0.13 0.71 -0.83 0.00 0.00 0.00 175.10 175.32 3l5t s GLY 107 N 1.26 2.51 -0.27 4.51 0.00 -1.26 -2.67 107.32 111.40 3l5t s GLY 107 Ca -0.04 0.09 -0.25 0.00 0.00 0.00 0.00 44.72 44.52 3l5t s GLY 107 CO -0.08 0.39 0.98 0.86 0.00 0.00 0.00 173.10 175.26 3l5t s TRP 108 N -1.67 -0.51 -1.32 1.90 -0.00 0.31 -4.95 118.94 112.69 3l5t s TRP 108 Ca 0.46 1.24 -0.00 0.00 -0.00 0.00 0.00 56.10 57.80 3l5t s TRP 108 Cb -0.14 0.35 0.00 0.00 -0.00 0.00 0.00 33.47 33.68 3l5t s TRP 108 CO 0.20 -0.26 0.65 -1.71 -0.00 0.00 0.00 176.95 175.83 3l5t n ASN 109 N 2.18 -1.00 0.00 5.86 4.05 -1.26 -1.33 115.26 123.77 3l5t n ASN 109 Ca -0.13 -0.85 0.00 0.00 0.45 0.00 0.00 54.58 54.05 3l5t n ASN 109 Cb 0.56 -3.89 0.00 0.00 1.23 0.00 0.00 39.78 37.68 3l5t n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3l5t n ASN 110 N -3.04 0.00 0.00 1.20 3.02 -1.26 -4.89 115.26 110.29 3l5t n ASN 110 Ca -0.30 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 3l5t n ASN 110 Cb 0.68 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 3l5t n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3l5t n SER 111 N 0.00 0.00 -2.94 6.41 2.88 -0.44 -5.19 113.62 114.34 3l5t n SER 111 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 3l5t n SER 111 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 3l5t n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3l5t n THR 112 N 0.00 0.00 1.27 2.46 -2.24 -1.26 -0.53 114.28 113.98 3l5t n THR 112 Ca 0.00 -1.30 0.09 0.00 -2.27 0.00 0.00 64.05 60.57 3l5t n THR 112 Cb 0.00 0.41 0.34 0.00 -2.10 0.00 0.00 70.33 68.98 3l5t n THR 112 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3l5t n PHE 113 N -0.55 0.23 -3.20 4.78 3.72 -1.02 -4.55 117.46 116.87 3l5t n PHE 113 Ca -0.05 -0.12 -0.46 0.00 -0.05 0.00 0.00 57.45 56.77 3l5t n PHE 113 Cb 0.34 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.85 3l5t n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3l5t s ALA 114 N -1.77 3.75 -1.52 4.37 0.00 -1.19 -4.76 121.76 120.63 3l5t s ALA 114 Ca 0.29 -2.89 0.14 0.00 0.00 0.00 0.00 51.96 49.50 3l5t s ALA 114 Cb 0.15 -3.59 0.22 0.00 0.00 0.00 0.00 23.12 19.90 3l5t s ALA 114 CO 0.23 -2.40 1.10 1.28 0.00 0.00 0.00 175.76 175.97 3l5t n LEU 115 N 5.13 2.57 -0.03 0.00 4.77 -1.26 -4.66 117.00 123.52 3l5t n LEU 115 Ca 0.07 -1.40 -0.01 0.00 -0.03 0.00 0.00 56.01 54.64 3l5t n LEU 115 Cb 0.45 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.29 3l5t n LEU 115 CO 0.45 0.56 -0.74 -0.62 -1.33 0.00 0.00 177.39 175.70 3l5t n GLU 116 N 0.79 0.66 0.00 3.23 4.71 -1.26 -5.20 120.64 123.56 3l5t n GLU 116 Ca 0.11 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 3l5t n GLU 116 Cb 0.40 -1.63 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 3l5t n GLU 116 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94