#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 0.01 -0.08 -0.52 0.23 -0.67 -1.29 119.30 116.99 3l5t s MET 2 Ca 0.00 0.03 0.02 0.00 -1.03 0.00 0.00 55.69 54.71 3l5t s MET 2 Cb 0.00 -0.01 0.01 0.00 -1.53 0.00 0.00 34.83 33.30 3l5t s MET 2 CO 0.00 -0.01 -0.14 0.12 -2.03 0.00 0.00 175.02 172.95 3l5t s PHE 3 N 0.08 1.70 -0.08 3.16 5.36 -0.39 -1.20 117.98 126.62 3l5t s PHE 3 Ca -0.01 -0.67 0.05 0.00 -0.96 0.00 0.00 56.93 55.34 3l5t s PHE 3 Cb -0.01 -1.22 -0.01 0.00 -0.34 0.00 0.00 43.02 41.44 3l5t s PHE 3 CO -0.00 -0.33 -0.23 0.42 -1.46 0.00 0.00 175.22 173.62 3l5t s ILE 4 N 0.66 2.17 -0.14 3.12 -1.09 -0.34 -1.05 121.20 124.54 3l5t s ILE 4 Ca -0.14 -1.01 0.01 0.00 -2.23 0.00 0.00 60.65 57.29 3l5t s ILE 4 Cb -0.16 -1.81 0.02 0.00 -1.58 0.00 0.00 42.46 38.92 3l5t s ILE 4 CO 0.04 0.56 -0.18 0.68 -1.23 0.00 0.00 174.94 174.82 3l5t s VAL 5 N 0.03 1.78 -0.17 2.92 -7.23 0.37 -1.39 120.40 116.71 3l5t s VAL 5 Ca -0.09 -0.78 -0.04 0.00 -1.81 0.00 0.00 61.98 59.25 3l5t s VAL 5 Cb -0.15 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 3l5t s VAL 5 CO 0.06 0.49 -0.02 0.20 -0.31 0.00 0.00 175.10 175.52 3l5t s ASN 6 N 1.17 4.91 0.03 4.85 0.01 -0.11 0.10 114.94 125.90 3l5t s ASN 6 Ca -0.01 -0.11 -0.11 0.00 -0.71 0.00 0.00 52.86 51.93 3l5t s ASN 6 Cb -0.14 -1.81 0.01 0.00 0.41 0.00 0.00 41.25 39.71 3l5t s ASN 6 CO -0.07 0.15 0.22 0.28 -1.51 0.00 0.00 177.10 176.17 3l5t s THR 7 N 0.47 0.10 -2.27 1.60 -1.32 -0.20 -0.72 115.64 113.30 3l5t s THR 7 Ca -0.02 -0.80 0.28 0.00 -1.21 0.00 0.00 61.69 59.94 3l5t s THR 7 Cb -0.14 -0.85 0.56 0.00 -1.51 0.00 0.00 72.50 70.56 3l5t s THR 7 CO 0.02 -0.44 1.80 -0.46 -2.21 0.00 0.00 174.62 173.33 3l5t n ASN 8 N 0.78 1.15 -4.77 8.08 6.94 -1.23 -1.14 115.26 125.08 3l5t n ASN 8 Ca -0.19 -1.28 -0.41 0.00 -0.02 0.00 0.00 54.58 52.68 3l5t n ASN 8 Cb 0.58 0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 38.00 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 -2.10 2.36 0.63 3.53 1.01 -1.26 -4.28 120.40 120.29 3l5t s VAL 9 Ca 0.37 0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.52 3l5t s VAL 9 Cb 0.21 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3l5t s VAL 9 CO 0.38 0.07 1.19 -2.84 0.00 0.00 0.00 175.10 173.90 3l5t s PRO 10 N -1.43 2.79 0.32 2.72 0.02 -1.26 -1.06 135.00 137.10 3l5t s PRO 10 Ca 0.54 1.74 0.02 0.00 0.02 0.00 0.00 61.00 63.33 3l5t s PRO 10 Cb -0.44 -1.92 0.59 0.00 0.02 0.00 0.00 34.50 32.75 3l5t s PRO 10 CO 0.54 -1.32 1.95 -0.09 -0.33 0.00 0.00 177.00 177.75 3l5t h ARG 11 N 0.54 0.92 0.00 5.54 2.43 -1.93 -1.27 114.38 120.61 3l5t h ARG 11 Ca -0.49 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3l5t h ARG 11 Cb 1.29 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3l5t h ARG 11 CO 0.54 0.61 0.00 0.00 -1.51 0.00 0.00 179.97 179.61 3l5t h ALA 12 N 1.54 1.00 -0.01 2.80 0.00 -2.03 -1.53 119.26 121.03 3l5t h ALA 12 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3l5t h ALA 12 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3l5t h ALA 12 CO -0.10 0.00 -0.17 0.43 0.00 0.00 0.00 179.25 179.41 3l5t n SER 13 N -2.75 1.35 -4.63 0.00 7.64 -0.48 -4.76 113.62 109.99 3l5t n SER 13 Ca -0.01 -1.20 -0.42 0.00 1.01 0.00 0.00 58.87 58.25 3l5t n SER 13 Cb 0.15 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 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 -2.30 4.68 0.42 0.44 1.01 -0.58 -4.76 120.40 119.32 3l5t s VAL 14 Ca 0.29 1.55 -0.22 0.00 0.00 0.00 0.00 61.98 63.60 3l5t s VAL 14 Cb 0.20 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 3l5t s VAL 14 CO 0.45 -0.30 1.01 -2.16 0.00 0.00 0.00 175.10 174.10 3l5t s PRO 15 N 3.23 4.12 0.17 2.72 0.04 -1.26 -4.97 135.00 139.04 3l5t s PRO 15 Ca 0.39 1.35 -0.34 0.00 0.04 0.00 0.00 61.00 62.44 3l5t s PRO 15 Cb -0.14 -2.35 -0.15 0.00 0.04 0.00 0.00 34.50 31.91 3l5t s PRO 15 CO 0.12 -0.15 1.37 -0.25 0.04 0.00 0.00 177.00 178.13 3l5t n ASP 16 N -0.40 2.24 0.00 6.66 10.43 -1.26 -2.17 116.55 132.05 3l5t n ASP 16 Ca 0.06 1.12 0.00 0.00 2.57 0.00 0.00 54.79 58.55 3l5t n ASP 16 Cb 0.52 -1.32 0.00 0.00 1.84 0.00 0.00 41.12 42.15 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 2.52 0.25 0.06 0.44 0.00 -1.26 -4.99 105.19 102.21 3l5t n GLY 17 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 0.07 -0.90 1.61 3.57 -1.82 -0.81 116.94 118.67 3l5t h PHE 18 Ca 0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3l5t h PHE 18 Cb 0.00 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 3l5t h PHE 18 CO 0.00 0.16 0.55 -0.07 -2.23 0.00 0.00 178.31 176.72 3l5t h LEU 19 N -0.03 1.08 -0.52 0.59 3.38 -1.94 -1.31 115.31 116.56 3l5t h LEU 19 Ca 0.02 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3l5t h LEU 19 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3l5t h LEU 19 CO -0.00 0.83 -0.14 0.28 0.09 0.00 0.00 178.44 179.49 3l5t h SER 20 N 1.24 1.02 -0.38 -0.43 0.02 -1.90 -0.96 113.55 112.16 3l5t h SER 20 Ca 0.32 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3l5t h SER 20 Cb -0.06 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 3l5t h SER 20 CO -0.06 1.15 0.06 -0.08 -1.14 0.00 0.00 176.83 176.76 3l5t h GLU 21 N 0.87 0.64 -0.46 3.45 4.81 -0.79 -1.25 114.58 121.85 3l5t h GLU 21 Ca 0.13 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3l5t h GLU 21 Cb 0.72 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 3l5t h GLU 21 CO 0.05 0.70 0.24 -0.07 -0.73 0.00 0.00 179.01 179.20 3l5t h LEU 22 N 0.48 0.36 -0.12 1.64 3.38 -1.12 -0.15 115.31 119.78 3l5t h LEU 22 Ca 0.12 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3l5t h LEU 22 Cb 0.37 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3l5t h LEU 22 CO 0.01 0.26 -0.02 0.74 0.09 0.00 0.00 178.44 179.51 3l5t h THR 23 N 0.48 0.89 -0.12 0.22 2.02 -0.87 -0.37 112.91 115.16 3l5t h THR 23 Ca 0.20 -0.00 -0.21 0.00 0.77 0.00 0.00 66.41 67.17 3l5t h THR 23 Cb 0.09 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3l5t h THR 23 CO -0.13 0.00 -0.76 1.56 0.37 0.00 0.00 175.52 176.57 3l5t h GLN 24 N 0.01 0.64 -0.14 6.66 4.20 -1.00 -0.97 115.11 124.51 3l5t h GLN 24 Ca 0.06 -0.52 -0.14 0.00 0.06 0.00 0.00 58.65 58.11 3l5t h GLN 24 Cb 0.08 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3l5t h GLN 24 CO -0.12 1.14 -0.51 1.96 -0.67 0.00 0.00 178.83 180.63 3l5t h GLN 25 N 0.44 0.38 -0.14 1.46 1.08 -0.98 -1.91 115.11 115.45 3l5t h GLN 25 Ca -0.04 -0.23 -0.17 0.00 -1.45 0.00 0.00 58.65 56.76 3l5t h GLN 25 Cb 1.36 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.81 3l5t h GLN 25 CO 0.15 0.81 -0.62 -0.07 -0.95 0.00 0.00 178.83 178.14 3l5t h LEU 26 N 0.30 0.55 -0.46 1.46 3.38 -0.98 -1.06 115.31 118.51 3l5t h LEU 26 Ca 0.01 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3l5t h LEU 26 Cb 1.01 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3l5t h LEU 26 CO 0.09 1.04 0.25 0.00 0.09 0.00 0.00 178.44 179.90 3l5t h ALA 27 N 0.97 0.58 -0.12 1.53 0.00 -1.01 -0.81 119.26 120.40 3l5t h ALA 27 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3l5t h ALA 27 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3l5t h ALA 27 CO 0.11 -0.09 0.07 1.96 0.00 0.00 0.00 179.25 181.30 3l5t h GLN 28 N 0.50 0.16 -0.09 0.00 1.08 -1.15 -1.73 115.11 113.87 3l5t h GLN 28 Ca 0.19 -0.02 -0.16 0.00 -1.45 0.00 0.00 58.65 57.22 3l5t h GLN 28 Cb 0.06 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 3l5t h GLN 28 CO -0.11 0.17 -0.62 0.00 -0.95 0.00 0.00 178.83 177.31 3l5t h ALA 29 N 0.99 0.76 0.00 3.87 0.00 -0.98 -3.14 119.26 120.76 3l5t h ALA 29 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3l5t h ALA 29 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3l5t h ALA 29 CO -0.01 0.73 -0.71 0.25 0.00 0.00 0.00 179.25 179.51 3l5t n THR 30 N -3.88 0.16 -1.00 0.00 -2.24 -0.33 -4.95 114.28 102.04 3l5t n THR 30 Ca -0.03 -0.16 -0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3l5t n THR 30 Cb 0.64 0.14 -0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 1.41 0.44 3.84 3.38 0.00 -0.66 -4.97 105.19 108.62 3l5t n GLY 31 Ca 0.04 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.34 3.15 0.51 1.61 -0.14 -1.13 -5.04 119.74 118.36 3l5t s LYS 32 Ca 0.00 -0.55 -0.23 0.00 -1.36 0.00 0.00 55.97 53.83 3l5t s LYS 32 Cb 0.00 -2.88 -0.06 0.00 -1.68 0.00 0.00 37.83 33.21 3l5t s LYS 32 CO 0.00 0.60 1.35 -2.14 -0.76 0.00 0.00 175.35 174.40 3l5t s PRO 33 N -2.34 3.38 0.60 -1.68 0.02 -1.26 -4.46 135.00 129.26 3l5t s PRO 33 Ca 0.31 2.23 0.36 0.00 0.02 0.00 0.00 61.00 63.92 3l5t s PRO 33 Cb -0.12 -2.40 1.95 0.00 0.02 0.00 0.00 34.50 33.94 3l5t s PRO 33 CO 0.23 -1.00 2.24 -1.00 -0.33 0.00 0.00 177.00 177.14 3l5t h PRO 34 N 1.80 0.00 0.00 5.54 0.13 -1.90 -0.84 132.00 136.72 3l5t h PRO 34 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3l5t h PRO 34 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3l5t h PRO 34 CO 0.59 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.38 3l5t n GLN 35 N -3.44 0.13 0.01 0.86 0.00 -1.26 -2.08 117.38 111.60 3l5t n GLN 35 Ca -0.02 0.35 0.11 0.00 0.00 0.00 0.00 57.00 57.44 3l5t n GLN 35 Cb 0.13 -1.74 0.10 0.00 0.00 0.00 0.00 30.24 28.74 3l5t n GLN 35 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3l5t n TYR 36 N -1.97 0.13 -3.22 2.61 4.01 -0.32 -4.94 117.16 113.45 3l5t n TYR 36 Ca 0.03 0.04 -0.39 0.00 -0.16 0.00 0.00 57.90 57.42 3l5t n TYR 36 Cb 0.22 -0.30 -0.06 0.00 -0.31 0.00 0.00 39.34 38.89 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 -3.08 5.12 -0.06 -0.72 -1.09 -0.88 -3.28 121.20 117.22 3l5t s ILE 37 Ca 0.08 1.09 0.02 0.00 -2.23 0.00 0.00 60.65 59.61 3l5t s ILE 37 Cb 0.16 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 3l5t s ILE 37 CO 0.77 0.26 -0.10 0.00 -1.23 0.00 0.00 174.94 174.63 3l5t s ALA 38 N 0.98 2.84 0.02 9.38 0.00 -0.41 -5.01 121.76 129.57 3l5t s ALA 38 Ca 0.28 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3l5t s ALA 38 Cb -0.16 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 3l5t s ALA 38 CO 0.12 0.57 -0.10 0.08 0.00 0.00 0.00 175.76 176.42 3l5t s VAL 39 N -0.78 0.77 -0.09 0.00 1.01 -1.26 -1.26 120.40 118.78 3l5t s VAL 39 Ca 0.12 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 3l5t s VAL 39 Cb -0.11 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.61 3l5t s VAL 39 CO 0.01 -0.02 0.19 -2.28 0.00 0.00 0.00 175.10 173.00 3l5t s HIS 40 N -0.71 -0.25 -0.12 5.22 5.04 -0.21 -4.97 115.29 119.29 3l5t s HIS 40 Ca -0.01 0.69 0.02 0.00 -1.54 0.00 0.00 55.06 54.23 3l5t s HIS 40 Cb -0.06 -0.17 0.01 0.00 0.04 0.00 0.00 32.58 32.40 3l5t s HIS 40 CO 0.00 -0.28 -0.19 0.08 -2.34 0.00 0.00 174.74 172.01 3l5t s VAL 41 N 2.13 1.83 -0.37 0.89 1.01 -1.26 -0.48 120.40 124.15 3l5t s VAL 41 Ca 0.00 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3l5t s VAL 41 Cb -0.12 -1.63 0.11 0.00 0.00 0.00 0.00 36.38 34.74 3l5t s VAL 41 CO -0.07 0.51 0.12 -0.69 0.00 0.00 0.00 175.10 174.97 3l5t s VAL 42 N 0.82 1.79 0.89 2.92 1.01 0.11 -4.98 120.40 122.96 3l5t s VAL 42 Ca -0.09 -2.23 -0.12 0.00 0.00 0.00 0.00 61.98 59.54 3l5t s VAL 42 Cb -0.16 -2.31 0.17 0.00 0.00 0.00 0.00 36.38 34.09 3l5t s VAL 42 CO -0.00 -0.69 1.23 -2.16 0.00 0.00 0.00 175.10 173.47 3l5t s PRO 43 N 0.87 1.02 -1.74 2.72 0.04 -1.26 -1.04 135.00 135.62 3l5t s PRO 43 Ca 0.12 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 60.63 3l5t s PRO 43 Cb -0.20 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3l5t s PRO 43 CO -0.11 -2.10 0.00 -0.25 0.04 0.00 0.00 177.00 174.59 3l5t n ASP 44 N -3.49 -5.53 -4.82 6.66 8.00 -0.23 -4.82 116.55 112.31 3l5t n ASP 44 Ca 0.14 0.08 -0.34 0.00 0.71 0.00 0.00 54.79 55.38 3l5t n ASP 44 Cb 0.60 -4.60 -0.07 0.00 -0.02 0.00 0.00 41.12 37.03 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 -4.72 4.25 -0.66 -1.24 -1.52 -0.29 -4.94 119.66 110.55 3l5t s GLN 45 Ca 0.00 1.02 -0.24 0.00 -1.95 0.00 0.00 55.36 54.19 3l5t s GLN 45 Cb 0.00 -2.46 0.05 0.00 -0.22 0.00 0.00 33.01 30.38 3l5t s GLN 45 CO 0.00 0.14 1.04 -1.17 -0.25 0.00 0.00 175.29 175.05 3l5t s LEU 46 N -2.73 4.02 0.13 2.90 2.96 -1.26 -4.10 118.68 120.60 3l5t s LEU 46 Ca 0.55 -0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 53.66 3l5t s LEU 46 Cb -0.12 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 3l5t s LEU 46 CO 0.17 -1.50 0.23 0.00 -1.32 0.00 0.00 176.35 173.94 3l5t s MET 47 N 4.46 1.02 0.02 1.98 0.23 -1.26 -5.07 119.30 120.68 3l5t s MET 47 Ca 0.27 -1.11 -0.00 0.00 -1.03 0.00 0.00 55.69 53.82 3l5t s MET 47 Cb -0.14 0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 33.50 3l5t s MET 47 CO 0.13 -0.35 -0.03 0.00 -2.03 0.00 0.00 175.02 172.74 3l5t s ALA 48 N -3.93 0.18 -0.10 3.16 0.00 -1.26 -4.60 121.76 115.20 3l5t s ALA 48 Ca 0.13 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 3l5t s ALA 48 Cb 0.04 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3l5t s ALA 48 CO -0.04 -0.19 -0.03 0.12 0.00 0.00 0.00 175.76 175.62 3l5t s PHE 49 N -1.78 1.09 -1.47 0.00 2.19 -0.22 -4.72 117.98 113.07 3l5t s PHE 49 Ca -0.13 -0.51 0.00 0.00 0.33 0.00 0.00 56.93 56.62 3l5t s PHE 49 Cb -0.08 -1.03 0.00 0.00 -1.31 0.00 0.00 43.02 40.61 3l5t s PHE 49 CO -0.02 -0.45 0.00 0.41 1.83 0.00 0.00 175.22 176.99 3l5t n GLY 50 N 5.04 0.84 2.31 13.12 0.00 -1.26 -2.27 105.19 122.97 3l5t n GLY 50 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.09 0.88 3.53 -0.02 0.00 -1.26 -5.03 105.19 102.19 3l5t n GLY 51 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.94 4.21 -0.25 1.61 0.15 -0.96 -5.03 113.70 110.50 3l5t s SER 52 Ca 0.00 -0.31 0.13 0.00 0.70 0.00 0.00 55.95 56.47 3l5t s SER 52 Cb 0.00 -0.83 0.71 0.00 -1.71 0.00 0.00 66.02 64.19 3l5t s SER 52 CO 0.00 0.25 1.66 -1.54 1.20 0.00 0.00 173.24 174.82 3l5t n SER 53 N 1.42 4.83 -4.63 5.45 3.41 -1.26 -1.06 113.62 121.78 3l5t n SER 53 Ca -0.15 -3.08 -0.30 0.00 -0.26 0.00 0.00 58.87 55.07 3l5t n SER 53 Cb 0.52 -0.66 0.19 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.88 0.53 0.20 4.33 0.41 -1.26 -4.87 118.70 115.16 3l5t s GLU 54 Ca 0.51 1.41 -0.32 0.00 -0.41 0.00 0.00 54.97 56.16 3l5t s GLU 54 Cb 0.40 -1.68 -0.15 0.00 -1.78 0.00 0.00 34.13 30.93 3l5t s GLU 54 CO 0.12 -2.92 1.29 -2.30 -0.49 0.00 0.00 175.26 170.96 3l5t n PRO 55 N -4.42 1.60 -3.97 0.39 -0.02 -1.26 -4.83 135.00 122.48 3l5t n PRO 55 Ca 0.10 0.57 -0.09 0.00 -2.02 0.00 0.00 63.50 62.06 3l5t n PRO 55 Cb 0.52 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 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 -3.82 -0.76 -0.16 0.00 0.00 -0.69 -3.47 121.76 112.86 3l5t s ALA 57 Ca 0.21 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.98 3l5t s ALA 57 Cb -0.02 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.69 3l5t s ALA 57 CO 0.10 -0.16 -0.21 -0.51 0.00 0.00 0.00 175.76 174.98 3l5t s LEU 58 N -0.04 2.14 0.23 0.00 1.43 0.11 -1.62 118.68 120.93 3l5t s LEU 58 Ca -0.02 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 3l5t s LEU 58 Cb -0.03 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 3l5t s LEU 58 CO 0.01 0.04 -0.06 0.00 0.23 0.00 0.00 176.35 176.58 3l5t s SER 60 N -3.33 0.37 -0.12 0.00 0.01 -0.49 -0.92 113.70 109.23 3l5t s SER 60 Ca 0.26 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.35 3l5t s SER 60 Cb 0.04 -0.01 0.02 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 -0.44 1.50 -0.11 2.44 2.96 -0.12 -1.20 118.68 123.71 3l5t s LEU 61 Ca -0.03 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3l5t s LEU 61 Cb -0.03 -0.99 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 3l5t s LEU 61 CO -0.00 -0.05 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.92 3l5t s HIS 62 N 1.37 2.98 -0.10 5.38 3.76 -0.34 -0.96 115.29 127.38 3l5t s HIS 62 Ca 0.00 -0.14 -0.15 0.00 -0.15 0.00 0.00 55.06 54.63 3l5t s HIS 62 Cb -0.13 -1.82 0.03 0.00 1.11 0.00 0.00 32.58 31.77 3l5t s HIS 62 CO -0.06 0.16 0.38 0.45 -0.85 0.00 0.00 174.74 174.82 3l5t s SER 63 N -0.28 -0.35 -0.72 1.40 0.15 -0.82 -1.67 113.70 111.41 3l5t s SER 63 Ca 0.04 0.56 -0.27 0.00 0.70 0.00 0.00 55.95 56.98 3l5t s SER 63 Cb -0.13 0.63 0.03 0.00 -1.71 0.00 0.00 66.02 64.85 3l5t s SER 63 CO 0.02 -0.26 1.26 -0.63 1.20 0.00 0.00 173.24 174.83 3l5t s ILE 64 N -0.37 3.77 0.03 6.45 1.01 -1.26 -0.59 121.20 130.24 3l5t s ILE 64 Ca -0.05 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3l5t s ILE 64 Cb -0.03 -4.90 0.00 0.00 0.01 0.00 0.00 42.46 37.54 3l5t s ILE 64 CO 0.02 -1.80 0.00 0.61 0.00 0.00 0.00 174.94 173.77 3l5t n GLY 65 N 5.35 -1.90 2.52 6.18 0.00 -1.26 -4.93 105.19 111.16 3l5t n GLY 65 Ca 0.03 -1.35 -0.19 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.93 -1.31 -4.91 1.61 4.76 -1.26 -4.90 118.16 111.22 3l5t n LYS 66 Ca 0.00 1.13 -0.33 0.00 -2.87 0.00 0.00 58.31 56.25 3l5t n LYS 66 Cb 0.05 -5.45 -0.15 0.00 -1.84 0.00 0.00 35.03 27.64 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 -2.72 2.76 0.00 -0.18 -1.09 -1.26 -4.82 121.20 113.89 3l5t s ILE 67 Ca 0.00 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 3l5t s ILE 67 Cb 0.00 -2.13 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 3l5t s ILE 67 CO 0.00 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 3l5t n GLY 68 N 3.50 -0.68 0.08 6.18 0.00 -1.26 -4.99 105.19 108.02 3l5t n GLY 68 Ca -0.18 -1.04 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.64 1.25 -0.02 0.00 -1.99 0.23 103.07 100.91 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 -0.58 -0.37 0.00 0.00 0.00 0.00 176.54 175.59 3l5t h ALA 70 N -1.15 0.69 -0.86 3.60 0.00 -2.00 -2.61 119.26 116.93 3l5t h ALA 70 Ca 0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3l5t h ALA 70 Cb 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3l5t h ALA 70 CO -0.09 0.67 0.44 1.96 0.00 0.00 0.00 179.25 182.22 3l5t h GLN 71 N 0.68 1.23 -0.23 0.00 4.20 -1.89 -1.61 115.11 117.49 3l5t h GLN 71 Ca 0.06 -0.17 -0.14 0.00 0.06 0.00 0.00 58.65 58.46 3l5t h GLN 71 Cb 0.93 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3l5t h GLN 71 CO 0.09 0.92 -0.45 -0.91 -0.67 0.00 0.00 178.83 177.81 3l5t h ASN 72 N 1.22 0.63 -0.55 1.46 2.35 -0.42 -0.46 115.58 119.81 3l5t h ASN 72 Ca 0.30 -0.30 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3l5t h ASN 72 Cb 0.08 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3l5t h ASN 72 CO -0.04 0.99 0.19 0.03 -1.65 0.00 0.00 177.43 176.95 3l5t h ARG 73 N 0.47 0.89 -0.32 0.81 3.08 -1.15 -0.01 114.38 118.16 3l5t h ARG 73 Ca 0.03 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 3l5t h ARG 73 Cb 0.97 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3l5t h ARG 73 CO 0.09 0.77 -0.07 1.03 -1.07 0.00 0.00 179.97 180.71 3l5t h SER 74 N 0.87 0.61 -0.86 7.04 0.87 -0.94 -1.80 113.55 119.35 3l5t h SER 74 Ca 0.20 -0.36 0.04 0.00 -1.23 0.00 0.00 61.79 60.43 3l5t h SER 74 Cb 0.24 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.98 3l5t h SER 74 CO -0.01 0.83 0.55 1.88 -0.53 0.00 0.00 176.83 179.56 3l5t h TYR 75 N 0.38 1.04 -0.48 2.24 0.05 -0.81 -1.67 116.97 117.71 3l5t h TYR 75 Ca 0.08 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.84 3l5t h TYR 75 Cb 0.56 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 3l5t h TYR 75 CO 0.05 0.59 0.11 0.77 -1.05 0.00 0.00 178.16 178.63 3l5t h SER 76 N 1.07 0.73 -0.54 3.88 0.02 -0.82 0.16 113.55 118.05 3l5t h SER 76 Ca 0.35 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3l5t h SER 76 Cb 0.03 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3l5t h SER 76 CO -0.12 0.78 0.25 0.50 -1.14 0.00 0.00 176.83 177.10 3l5t h LYS 77 N 0.65 0.78 0.17 3.45 3.64 -1.07 0.82 116.57 125.01 3l5t h LYS 77 Ca 0.15 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3l5t h LYS 77 Cb 0.33 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3l5t h LYS 77 CO 0.00 0.64 -0.08 1.25 -2.27 0.00 0.00 179.45 178.99 3l5t h LEU 78 N 0.72 -0.20 -0.12 5.20 5.85 -1.02 -1.61 115.31 124.13 3l5t h LEU 78 Ca 0.18 -0.06 -0.19 0.00 0.84 0.00 0.00 57.88 58.65 3l5t h LEU 78 Cb 0.13 0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.22 3l5t h LEU 78 CO -0.02 -0.06 -0.68 -0.07 -0.34 0.00 0.00 178.44 177.26 3l5t h LEU 79 N -0.32 0.81 -1.28 2.25 3.38 -0.55 -1.95 115.31 117.65 3l5t h LEU 79 Ca -0.02 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 57.29 3l5t h LEU 79 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3l5t h LEU 79 CO 0.04 1.33 0.31 0.00 0.09 0.00 0.00 178.44 180.21 3l5t h GLY 81 N 0.88 0.62 1.03 0.00 0.00 -1.01 -0.48 103.07 104.10 3l5t h GLY 81 Ca 0.21 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 3l5t h GLY 81 CO -0.03 0.28 -0.02 1.41 0.00 0.00 0.00 176.54 178.18 3l5t h LEU 82 N 0.53 0.90 -0.96 3.11 3.38 -1.00 -1.09 115.31 120.17 3l5t h LEU 82 Ca 0.14 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 3l5t h LEU 82 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3l5t h LEU 82 CO -0.02 0.99 -0.10 -0.07 0.09 0.00 0.00 178.44 179.33 3l5t h LEU 83 N 0.78 0.63 -0.11 1.67 3.38 -0.95 0.18 115.31 120.89 3l5t h LEU 83 Ca 0.14 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3l5t h LEU 83 Cb 0.54 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3l5t h LEU 83 CO 0.03 0.76 -0.21 0.00 0.09 0.00 0.00 178.44 179.11 3l5t h ALA 84 N 1.30 0.17 -0.15 1.53 0.00 -0.95 -0.82 119.26 120.35 3l5t h ALA 84 Ca 0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3l5t h ALA 84 Cb 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3l5t h ALA 84 CO 0.03 0.12 -0.05 1.49 0.00 0.00 0.00 179.25 180.84 3l5t h GLU 85 N -0.10 0.30 0.10 0.00 4.81 -1.07 -1.63 114.58 116.98 3l5t h GLU 85 Ca 0.00 -0.12 -0.34 0.00 -0.13 0.00 0.00 59.36 58.77 3l5t h GLU 85 Cb 0.80 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 3l5t h GLU 85 CO 0.05 0.60 -1.83 0.00 -0.73 0.00 0.00 179.01 177.10 3l5t h ARG 86 N -0.02 0.21 -0.01 1.92 2.47 -0.73 -3.38 114.38 114.83 3l5t h ARG 86 Ca 0.04 -0.36 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 3l5t h ARG 86 Cb 0.50 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 3l5t h ARG 86 CO 0.02 1.04 -0.08 1.28 0.56 0.00 0.00 179.97 182.78 3l5t n LEU 87 N -3.38 1.43 -3.26 3.04 4.77 -0.41 -4.63 117.00 114.56 3l5t n LEU 87 Ca -0.25 -0.89 -0.23 0.00 -0.03 0.00 0.00 56.01 54.61 3l5t n LEU 87 Cb 1.05 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.20 3l5t n LEU 87 CO 0.45 0.29 0.11 0.54 -1.33 0.00 0.00 177.39 177.45 3l5t n ARG 88 N 0.12 -6.23 -3.62 3.23 1.74 -0.61 -4.95 116.66 106.34 3l5t n ARG 88 Ca 0.04 0.88 -0.36 0.00 -0.77 0.00 0.00 57.85 57.64 3l5t n ARG 88 Cb 0.20 -5.82 -0.07 0.00 -1.02 0.00 0.00 32.46 25.74 3l5t n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3l5t s ILE 89 N -3.24 5.35 0.24 0.55 1.01 -0.93 -4.92 121.20 119.26 3l5t s ILE 89 Ca 0.42 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 61.17 3l5t s ILE 89 Cb -0.19 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.62 3l5t s ILE 89 CO 0.53 0.41 1.35 -0.55 0.00 0.00 0.00 174.94 176.67 3l5t s SER 90 N 0.45 6.81 0.51 3.58 0.15 -1.26 -3.35 113.70 120.59 3l5t s SER 90 Ca 0.13 2.53 0.20 0.00 0.70 0.00 0.00 55.95 59.51 3l5t s SER 90 Cb -0.12 -2.62 1.29 0.00 -1.71 0.00 0.00 66.02 62.86 3l5t s SER 90 CO 0.01 -0.57 2.04 -0.65 1.20 0.00 0.00 173.24 175.27 3l5t h PRO 91 N 4.93 0.07 -0.07 5.44 0.11 -1.97 0.06 132.00 140.58 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 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3l5t h PRO 91 CO 0.75 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 3l5t n ASP 92 N -4.44 0.40 -0.52 -2.05 5.75 -1.26 -2.57 116.55 111.85 3l5t n ASP 92 Ca 0.06 -1.85 0.07 0.00 -0.01 0.00 0.00 54.79 53.06 3l5t n ASP 92 Cb 0.41 -0.04 0.19 0.00 -1.03 0.00 0.00 41.12 40.64 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 -0.35 1.47 -5.14 0.11 1.74 0.01 -5.00 116.66 109.49 3l5t n ARG 93 Ca 0.06 -3.11 -0.30 0.00 -0.77 0.00 0.00 57.85 53.72 3l5t n ARG 93 Cb 0.08 -1.54 -0.17 0.00 -1.02 0.00 0.00 32.46 29.82 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 -3.05 1.90 -0.02 1.55 1.01 -1.06 -1.70 120.40 119.02 3l5t s VAL 94 Ca 0.36 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3l5t s VAL 94 Cb 0.35 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3l5t s VAL 94 CO -0.05 0.53 -0.17 -0.31 0.00 0.00 0.00 175.10 175.10 3l5t s TYR 95 N 0.12 2.62 -0.12 5.22 2.02 -0.64 -4.99 117.35 121.58 3l5t s TYR 95 Ca -0.10 -0.22 -0.00 0.00 -0.37 0.00 0.00 57.07 56.37 3l5t s TYR 95 Cb -0.15 -1.57 0.03 0.00 -0.40 0.00 0.00 41.96 39.86 3l5t s TYR 95 CO 0.06 0.17 -0.07 0.42 -1.57 0.00 0.00 175.55 174.56 3l5t s ILE 96 N -0.77 1.03 -0.17 2.71 1.01 -1.26 -0.26 121.20 123.50 3l5t s ILE 96 Ca 0.12 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.24 3l5t s ILE 96 Cb -0.10 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 3l5t s ILE 96 CO 0.02 0.32 0.55 0.20 0.00 0.00 0.00 174.94 176.03 3l5t s ASN 97 N 1.70 6.66 -0.17 3.58 0.01 -0.10 -4.96 114.94 121.67 3l5t s ASN 97 Ca 0.04 0.80 -0.09 0.00 -0.71 0.00 0.00 52.86 52.90 3l5t s ASN 97 Cb -0.13 -2.32 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 3l5t s ASN 97 CO -0.08 -0.15 0.13 -0.31 -1.51 0.00 0.00 177.10 175.18 3l5t s TYR 98 N 1.37 3.48 -0.16 2.20 2.02 -1.26 -0.94 117.35 124.05 3l5t s TYR 98 Ca 0.27 0.40 0.00 0.00 -0.37 0.00 0.00 57.07 57.37 3l5t s TYR 98 Cb -0.16 -2.07 0.03 0.00 -0.40 0.00 0.00 41.96 39.36 3l5t s TYR 98 CO 0.11 0.46 -0.12 0.71 -1.57 0.00 0.00 175.55 175.14 3l5t s TYR 99 N -0.20 2.14 -0.58 2.71 2.02 -0.13 -4.97 117.35 118.34 3l5t s TYR 99 Ca 0.11 -1.24 -0.25 0.00 -0.37 0.00 0.00 57.07 55.31 3l5t s TYR 99 Cb -0.11 -1.56 0.04 0.00 -0.40 0.00 0.00 41.96 39.93 3l5t s TYR 99 CO 0.00 -0.67 1.00 0.34 -1.57 0.00 0.00 175.55 174.66 3l5t s ASP 100 N 1.50 6.32 0.06 2.29 2.15 -1.26 -1.94 116.67 125.79 3l5t s ASP 100 Ca 0.04 -0.38 -0.22 0.00 0.43 0.00 0.00 52.55 52.42 3l5t s ASP 100 Cb -0.14 -2.46 -0.06 0.00 -0.30 0.00 0.00 42.92 39.96 3l5t s ASP 100 CO -0.10 -1.33 0.65 -0.04 -0.17 0.00 0.00 175.17 174.18 3l5t s MET 101 N 4.22 4.35 0.18 4.34 -1.94 0.25 -4.89 119.30 125.80 3l5t s MET 101 Ca 0.31 0.87 -0.30 0.00 -1.71 0.00 0.00 55.69 54.86 3l5t s MET 101 Cb -0.12 -3.29 -0.08 0.00 2.01 0.00 0.00 34.83 33.35 3l5t s MET 101 CO 0.19 0.49 1.11 1.21 -0.01 0.00 0.00 175.02 178.00 3l5t s ASN 102 N -0.66 7.25 0.55 3.03 3.84 -1.26 -4.07 114.94 123.61 3l5t s ASN 102 Ca 0.32 2.10 0.25 0.00 0.21 0.00 0.00 52.86 55.74 3l5t s ASN 102 Cb -0.20 -2.60 1.45 0.00 -0.55 0.00 0.00 41.25 39.34 3l5t s ASN 102 CO 0.20 -0.23 2.04 0.00 -2.79 0.00 0.00 177.10 176.32 3l5t h ALA 103 N 5.12 2.24 0.00 1.71 0.00 -1.95 0.42 119.26 126.80 3l5t h ALA 103 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3l5t h ALA 103 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3l5t h ALA 103 CO 0.73 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3l5t h ALA 104 N 1.76 1.00 -0.39 0.00 0.00 -1.91 -2.55 119.26 117.16 3l5t h ALA 104 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3l5t h ALA 104 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3l5t h ALA 104 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3l5t n ASN 105 N -2.41 4.13 -4.03 0.00 5.03 0.15 -4.86 115.26 113.27 3l5t n ASN 105 Ca 0.03 -2.70 -0.31 0.00 0.87 0.00 0.00 54.58 52.47 3l5t n ASN 105 Cb 0.31 -0.51 -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 -2.27 1.77 0.14 2.41 1.01 -1.14 -4.90 120.40 117.42 3l5t s VAL 106 Ca 0.42 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 3l5t s VAL 106 Cb 0.31 -1.79 -0.06 0.00 0.00 0.00 0.00 36.38 34.83 3l5t s VAL 106 CO 0.14 0.22 0.46 -0.83 0.00 0.00 0.00 175.10 175.09 3l5t s GLY 107 N 1.35 2.33 -0.29 4.51 0.00 -1.26 -2.62 107.32 111.33 3l5t s GLY 107 Ca -0.01 -0.34 -0.20 0.00 0.00 0.00 0.00 44.72 44.17 3l5t s GLY 107 CO -0.09 -0.16 1.03 0.86 0.00 0.00 0.00 173.10 174.75 3l5t s TRP 108 N -1.57 -0.49 -1.35 1.90 -0.00 0.54 -4.97 118.94 113.01 3l5t s TRP 108 Ca 0.39 1.06 -0.03 0.00 -0.00 0.00 0.00 56.10 57.52 3l5t s TRP 108 Cb -0.13 0.35 0.02 0.00 -0.00 0.00 0.00 33.47 33.71 3l5t s TRP 108 CO 0.20 -0.24 0.75 -1.71 -0.00 0.00 0.00 176.95 175.95 3l5t n ASN 109 N 2.98 -1.83 0.00 5.86 4.05 -1.26 -1.86 115.26 123.21 3l5t n ASN 109 Ca -0.16 -0.81 0.00 0.00 0.45 0.00 0.00 54.58 54.06 3l5t n ASN 109 Cb 0.57 -4.02 0.00 0.00 1.23 0.00 0.00 39.78 37.56 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 -3.02 -2.01 -0.19 1.20 3.02 -1.26 -4.93 115.26 108.07 3l5t n ASN 110 Ca -0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 3l5t n ASN 110 Cb 0.65 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.11 0.00 -4.49 6.41 2.88 -0.77 -5.19 113.62 112.35 3l5t n SER 111 Ca 0.00 -0.19 -0.29 0.00 -1.33 0.00 0.00 58.87 57.06 3l5t n SER 111 Cb 0.06 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.43 3l5t n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3l5t s THR 112 N -1.96 1.01 -2.24 2.46 -4.23 -1.26 -0.34 115.64 109.08 3l5t s THR 112 Ca 0.00 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.79 3l5t s THR 112 Cb 0.00 -2.33 0.47 0.00 1.34 0.00 0.00 72.50 71.98 3l5t s THR 112 CO 0.00 0.00 1.71 0.49 -0.54 0.00 0.00 174.62 176.28 3l5t n PHE 113 N -1.07 0.00 1.42 3.99 3.72 -0.98 -4.89 117.46 119.65 3l5t n PHE 113 Ca -0.12 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.39 3l5t n PHE 113 Cb 0.66 -0.04 0.68 0.00 -0.94 0.00 0.00 39.48 39.83 3l5t n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71