#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxh s GLU 2 N 0.00 4.27 0.73 1.97 2.12 -1.26 -5.01 118.70 121.51 3dxh s GLU 2 Ca 0.00 2.17 -0.11 0.00 0.36 0.00 0.00 54.97 57.39 3dxh s GLU 2 Cb 0.00 -3.33 0.03 0.00 0.26 0.00 0.00 34.13 31.09 3dxh s GLU 2 CO 0.00 -0.55 1.07 0.95 -0.54 0.00 0.00 175.26 176.20 3dxh s THR 3 N 1.54 3.70 0.23 -1.70 -4.23 -1.26 -4.85 115.64 109.07 3dxh s THR 3 Ca 0.67 0.56 -0.08 0.00 -1.18 0.00 0.00 61.69 61.66 3dxh s THR 3 Cb -0.38 -3.18 0.20 0.00 1.34 0.00 0.00 72.50 70.48 3dxh s THR 3 CO 0.30 -0.71 1.89 0.00 -0.54 0.00 0.00 174.62 175.56 3dxh h ALA 4 N -0.86 1.10 -0.81 3.99 0.00 -1.95 0.00 119.26 120.74 3dxh h ALA 4 Ca -0.44 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3dxh h ALA 4 Cb 1.22 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3dxh h ALA 4 CO 0.54 0.52 0.42 0.00 0.00 0.00 0.00 179.25 180.73 3dxh h ALA 5 N 1.31 1.04 -0.44 0.00 0.00 -1.87 -1.34 119.26 117.95 3dxh h ALA 5 Ca 0.32 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3dxh h ALA 5 Cb -0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 3dxh h ALA 5 CO -0.07 0.57 -0.27 0.00 0.00 0.00 0.00 179.25 179.49 3dxh h ALA 6 N 1.22 0.68 -1.00 0.00 0.00 -1.77 -1.93 119.26 116.46 3dxh h ALA 6 Ca 0.28 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3dxh h ALA 6 Cb 0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3dxh h ALA 6 CO -0.04 0.67 0.65 -0.22 0.00 0.00 0.00 179.25 180.32 3dxh h LYS 7 N 0.81 1.32 -0.70 0.00 3.64 -0.75 -0.93 116.57 119.95 3dxh h LYS 7 Ca 0.09 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3dxh h LYS 7 Cb 0.84 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 3dxh h LYS 7 CO 0.07 0.88 0.36 0.35 -2.27 0.00 0.00 179.45 178.84 3dxh h PHE 8 N 1.35 0.98 -0.56 1.91 3.57 -0.94 0.16 116.94 123.41 3dxh h PHE 8 Ca 0.36 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 3dxh h PHE 8 Cb -0.15 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.26 3dxh h PHE 8 CO 0.00 0.72 0.17 0.93 -2.23 0.00 0.00 178.31 177.89 3dxh h GLU 9 N 0.96 0.88 -0.58 1.11 5.08 -0.90 0.13 114.58 121.27 3dxh h GLU 9 Ca 0.24 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3dxh h GLU 9 Cb 0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3dxh h GLU 9 CO -0.03 0.81 0.18 -0.09 -1.00 0.00 0.00 179.01 178.87 3dxh h ARG 10 N 0.79 0.90 0.00 2.33 2.43 -0.81 -2.03 114.38 117.99 3dxh h ARG 10 Ca 0.18 -0.19 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 3dxh h ARG 10 Cb 0.30 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3dxh h ARG 10 CO -0.00 0.81 -1.16 1.96 -1.51 0.00 0.00 179.97 180.06 3dxh h GLN 11 N 0.82 0.00 0.00 0.20 4.20 -0.82 -3.42 115.11 116.08 3dxh h GLN 11 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3dxh h GLN 11 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3dxh h GLN 11 CO -0.01 0.82 0.00 0.72 -0.67 0.00 0.00 178.83 179.70 3dxh n HIS 12 N -3.25 0.00 -3.79 2.96 8.25 0.43 -4.64 115.22 115.18 3dxh n HIS 12 Ca -0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.06 3dxh n HIS 12 Cb 0.95 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.96 3dxh n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3dxh s MET 13 N -0.60 3.98 -0.41 -0.41 -1.94 -0.76 0.07 119.30 119.23 3dxh s MET 13 Ca 0.00 -0.32 0.04 0.00 -1.71 0.00 0.00 55.69 53.69 3dxh s MET 13 Cb 0.00 -3.40 0.16 0.00 2.01 0.00 0.00 34.83 33.60 3dxh s MET 13 CO 0.00 0.10 0.37 0.34 -0.01 0.00 0.00 175.02 175.82 3dxh s ASP 14 N 0.90 1.26 -0.01 3.03 2.15 -0.61 -4.84 116.67 118.54 3dxh s ASP 14 Ca 0.06 -2.47 0.04 0.00 0.43 0.00 0.00 52.55 50.61 3dxh s ASP 14 Cb -0.13 0.06 0.13 0.00 -0.30 0.00 0.00 42.92 42.68 3dxh s ASP 14 CO 0.03 -0.20 1.01 -1.20 -0.17 0.00 0.00 175.17 174.64 3dxh n SER 15 N 3.32 1.06 -0.03 -0.34 7.64 -1.26 -4.05 113.62 119.96 3dxh n SER 15 Ca 0.22 -2.05 -0.13 0.00 1.01 0.00 0.00 58.87 57.92 3dxh n SER 15 Cb 0.47 -0.21 -0.08 0.00 -1.01 0.00 0.00 64.21 63.37 3dxh n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3dxh h SER 16 N 0.80 0.18 -3.26 6.43 4.64 -1.92 -3.46 113.55 116.95 3dxh h SER 16 Ca 0.00 -0.41 -0.65 0.00 -0.47 0.00 0.00 61.79 60.26 3dxh h SER 16 Cb 0.35 -0.05 -0.19 0.00 -0.31 0.00 0.00 62.40 62.20 3dxh h SER 16 CO 0.02 0.55 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.82 3dxh s THR 17 N -4.56 2.30 -0.07 2.95 2.01 -1.26 -5.04 115.64 111.99 3dxh s THR 17 Ca -0.15 -2.01 0.26 0.00 0.31 0.00 0.00 61.69 60.10 3dxh s THR 17 Cb 0.04 -2.09 0.30 0.00 0.01 0.00 0.00 72.50 70.75 3dxh s THR 17 CO 0.71 -0.12 1.78 0.77 -0.69 0.00 0.00 174.62 177.06 3dxh h SER 18 N 3.25 0.00 -4.41 3.53 4.64 -1.89 -3.44 113.55 115.23 3dxh h SER 18 Ca -0.46 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.96 3dxh h SER 18 Cb 1.21 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.11 3dxh h SER 18 CO 0.48 0.12 0.53 0.00 -0.87 0.00 0.00 176.83 177.09 3dxh s ALA 19 N -3.46 -1.89 0.23 5.18 0.00 -1.26 -4.81 121.76 115.76 3dxh s ALA 19 Ca 0.03 1.29 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 3dxh s ALA 19 Cb 0.08 -0.08 -0.10 0.00 0.00 0.00 0.00 23.12 23.02 3dxh s ALA 19 CO 0.63 -0.52 1.52 0.00 0.00 0.00 0.00 175.76 177.38 3dxh s ALA 20 N -2.23 3.71 -0.33 0.00 0.00 -1.26 -4.93 121.76 116.71 3dxh s ALA 20 Ca 0.02 1.39 0.07 0.00 0.00 0.00 0.00 51.96 53.45 3dxh s ALA 20 Cb -0.01 -3.60 0.47 0.00 0.00 0.00 0.00 23.12 19.98 3dxh s ALA 20 CO -0.04 -0.80 1.38 -1.13 0.00 0.00 0.00 175.76 175.17 3dxh n SER 21 N 2.87 4.22 0.00 0.00 3.41 -1.26 -4.95 113.62 117.91 3dxh n SER 21 Ca 0.09 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.91 3dxh n SER 21 Cb 0.39 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3dxh n SER 21 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dxh n SER 22 N -0.90 0.00 -0.00 4.04 3.41 -1.26 -5.04 113.62 113.86 3dxh n SER 22 Ca 0.40 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 59.06 3dxh n SER 22 Cb 0.91 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.79 3dxh n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dxh n SER 23 N 0.36 1.53 -0.87 4.04 3.41 -1.26 -4.48 113.62 116.35 3dxh n SER 23 Ca 0.00 -0.38 0.12 0.00 -0.26 0.00 0.00 58.87 58.35 3dxh n SER 23 Cb 0.00 1.22 0.22 0.00 -0.26 0.00 0.00 64.21 65.39 3dxh n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3dxh n ASN 24 N -1.52 2.69 -0.08 4.04 5.15 -1.26 -4.43 115.26 119.84 3dxh n ASN 24 Ca 0.00 -1.88 -0.07 0.00 -0.60 0.00 0.00 54.58 52.03 3dxh n ASN 24 Cb 0.20 -0.05 -0.01 0.00 -0.53 0.00 0.00 39.78 39.39 3dxh n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3dxh h TYR 25 N 4.04 -0.66 -0.50 1.20 3.20 -1.97 -1.29 116.97 120.99 3dxh h TYR 25 Ca 0.00 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 3dxh h TYR 25 Cb 0.86 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 3dxh h TYR 25 CO 0.05 -0.33 0.11 0.00 -1.64 0.00 0.00 178.16 176.36 3dxh h ASN 27 N 0.69 0.62 0.06 0.00 2.35 -1.76 0.86 115.58 118.41 3dxh h ASN 27 Ca 0.16 0.05 -0.25 0.00 -0.55 0.00 0.00 56.30 55.71 3dxh h ASN 27 Cb 0.34 -0.06 0.02 0.00 0.05 0.00 0.00 38.32 38.67 3dxh h ASN 27 CO 0.00 0.35 -1.01 -0.61 -1.65 0.00 0.00 177.43 174.52 3dxh h GLN 28 N 0.74 0.57 -0.27 0.81 -0.00 -0.78 -3.14 115.11 113.03 3dxh h GLN 28 Ca 0.39 -0.70 -0.15 0.00 -0.00 0.00 0.00 58.65 58.18 3dxh h GLN 28 Cb 0.37 0.22 -0.00 0.00 0.00 0.00 0.00 27.48 28.07 3dxh h GLN 28 CO -0.25 1.29 -0.43 0.52 0.00 0.00 0.00 178.83 179.96 3dxh h MET 29 N 0.16 0.77 -0.60 1.69 2.86 -0.15 -1.81 114.93 117.86 3dxh h MET 29 Ca -0.14 -0.47 -0.01 0.00 -2.06 0.00 0.00 59.70 57.02 3dxh h MET 29 Cb 1.70 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 33.38 3dxh h MET 29 CO 0.20 1.10 0.34 0.52 1.06 0.00 0.00 176.91 180.13 3dxh h MET 30 N 0.52 0.81 0.17 1.72 2.86 -0.96 -2.15 114.93 117.90 3dxh h MET 30 Ca 0.02 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3dxh h MET 30 Cb 1.03 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.52 3dxh h MET 30 CO 0.10 0.58 -0.08 -0.22 1.06 0.00 0.00 176.91 178.35 3dxh h LYS 31 N 0.83 -0.22 0.00 1.72 3.64 -1.48 -0.46 116.57 120.60 3dxh h LYS 31 Ca 0.21 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3dxh h LYS 31 Cb -0.01 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3dxh h LYS 31 CO -0.04 0.12 -0.05 0.66 -2.27 0.00 0.00 179.45 177.87 3dxh h SER 32 N -0.57 0.00 -0.58 4.20 4.64 -1.12 -1.28 113.55 118.83 3dxh h SER 32 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3dxh h SER 32 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3dxh h SER 32 CO 0.04 0.05 0.00 0.54 -0.87 0.00 0.00 176.83 176.58 3dxh n ARG 33 N -3.26 2.49 -3.24 4.77 5.12 -0.83 -4.95 116.66 116.76 3dxh n ARG 33 Ca -0.01 -2.30 -0.17 0.00 -1.93 0.00 0.00 57.85 53.44 3dxh n ARG 33 Cb 0.23 -1.51 0.05 0.00 -1.16 0.00 0.00 32.46 30.07 3dxh n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3dxh n ASN 34 N 1.40 -5.18 -0.82 0.55 3.02 -0.48 -4.86 115.26 108.88 3dxh n ASN 34 Ca 0.21 -0.37 0.08 0.00 -0.03 0.00 0.00 54.58 54.48 3dxh n ASN 34 Cb 0.56 -3.81 0.15 0.00 -0.61 0.00 0.00 39.78 36.07 3dxh n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dxh n LEU 35 N -3.70 2.92 -0.09 3.41 4.77 -0.19 -4.23 117.00 119.90 3dxh n LEU 35 Ca -0.01 -1.54 0.03 0.00 -0.03 0.00 0.00 56.01 54.46 3dxh n LEU 35 Cb 0.55 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.49 3dxh n LEU 35 CO 0.46 0.65 0.44 0.35 -1.33 0.00 0.00 177.39 177.96 3dxh n THR 36 N 0.98 0.93 0.35 -5.08 -2.24 -1.19 -1.80 114.28 106.23 3dxh n THR 36 Ca 0.14 -1.04 -0.15 0.00 -2.27 0.00 0.00 64.05 60.73 3dxh n THR 36 Cb 0.47 0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 69.01 3dxh n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3dxh h LYS 37 N 0.00 -0.89 0.00 -0.78 3.11 -1.89 -3.38 116.57 112.74 3dxh h LYS 37 Ca 0.00 0.06 -0.34 0.00 -2.81 0.00 0.00 60.65 57.56 3dxh h LYS 37 Cb 0.86 0.20 -0.06 0.00 -1.00 0.00 0.00 32.23 32.23 3dxh h LYS 37 CO 0.00 -0.59 -2.25 -0.25 -2.81 0.00 0.00 179.45 173.56 3dxh n ASP 38 N -5.39 0.16 -3.85 4.20 8.00 -1.26 -5.02 116.55 113.38 3dxh n ASP 38 Ca -0.12 0.08 -0.08 0.00 0.71 0.00 0.00 54.79 55.38 3dxh n ASP 38 Cb 0.37 0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 42.28 3dxh n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dxh s ARG 39 N -2.54 1.65 -0.39 -1.24 1.04 -1.26 -5.07 118.95 111.13 3dxh s ARG 39 Ca -0.09 -1.01 -0.26 0.00 -1.04 0.00 0.00 55.73 53.33 3dxh s ARG 39 Cb 0.07 0.56 0.02 0.00 -2.04 0.00 0.00 34.95 33.56 3dxh s ARG 39 CO 0.83 -0.73 0.95 0.00 -0.04 0.00 0.00 175.30 176.31 3dxh s LYS 41 N 3.60 4.17 0.18 0.00 2.20 -0.74 -4.90 119.74 124.25 3dxh s LYS 41 Ca 0.39 2.38 -0.07 0.00 -0.36 0.00 0.00 55.97 58.31 3dxh s LYS 41 Cb -0.11 -4.00 0.08 0.00 -1.51 0.00 0.00 37.83 32.28 3dxh s LYS 41 CO 0.21 -0.88 1.56 -1.35 -0.36 0.00 0.00 175.35 174.53 3dxh h PRO 42 N 9.79 0.85 -3.75 4.03 0.11 -1.94 -3.44 132.00 137.65 3dxh h PRO 42 Ca -0.44 -0.39 -0.38 0.00 0.11 0.00 0.00 66.00 64.90 3dxh h PRO 42 Cb 1.20 -0.01 -0.35 0.00 0.11 0.00 0.00 31.00 31.95 3dxh h PRO 42 CO 0.95 1.03 -0.76 0.08 -0.21 0.00 0.00 178.00 179.09 3dxh s VAL 43 N -4.51 0.28 -0.21 3.15 1.01 -1.26 -0.55 120.40 118.30 3dxh s VAL 43 Ca -0.10 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 3dxh s VAL 43 Cb 0.12 -0.38 0.06 0.00 0.00 0.00 0.00 36.38 36.18 3dxh s VAL 43 CO 0.86 0.19 0.54 0.21 0.00 0.00 0.00 175.10 176.89 3dxh s ASN 44 N 1.28 -0.65 -0.13 3.32 2.47 -0.03 -5.02 114.94 116.20 3dxh s ASN 44 Ca -0.06 1.13 -0.03 0.00 0.42 0.00 0.00 52.86 54.33 3dxh s ASN 44 Cb -0.13 1.07 -0.03 0.00 -1.45 0.00 0.00 41.25 40.70 3dxh s ASN 44 CO -0.02 -0.20 -0.02 -0.89 -3.72 0.00 0.00 177.10 172.24 3dxh s THR 45 N 1.00 4.06 -0.11 -5.21 2.01 -1.26 -0.64 115.64 115.49 3dxh s THR 45 Ca -0.06 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.60 3dxh s THR 45 Cb -0.06 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 3dxh s THR 45 CO -0.09 0.54 0.00 -0.36 -0.69 0.00 0.00 174.62 174.02 3dxh s PHE 46 N -0.14 3.14 -0.19 4.92 0.08 -0.14 -4.33 117.98 121.32 3dxh s PHE 46 Ca 0.03 0.09 -0.06 0.00 0.12 0.00 0.00 56.93 57.11 3dxh s PHE 46 Cb -0.13 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 3dxh s PHE 46 CO 0.02 0.34 0.02 0.08 -0.10 0.00 0.00 175.22 175.58 3dxh s VAL 47 N -0.51 4.23 -0.95 -0.44 1.01 0.11 -0.65 120.40 123.21 3dxh s VAL 47 Ca 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 3dxh s VAL 47 Cb -0.12 -2.91 0.32 0.00 0.00 0.00 0.00 36.38 33.67 3dxh s VAL 47 CO 0.02 0.43 1.53 1.41 0.00 0.00 0.00 175.10 178.50 3dxh n HIS 48 N 4.03 2.89 -4.24 5.22 -0.00 0.73 -1.58 115.22 122.26 3dxh n HIS 48 Ca -0.17 -2.90 -0.14 0.00 -0.00 0.00 0.00 57.72 54.52 3dxh n HIS 48 Cb 0.52 -1.06 -0.10 0.00 -0.00 0.00 0.00 29.99 29.35 3dxh n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3dxh s GLU 49 N -3.68 1.20 0.69 -0.41 0.41 -1.26 -4.44 118.70 111.21 3dxh s GLU 49 Ca 0.39 -1.62 -0.15 0.00 -0.41 0.00 0.00 54.97 53.17 3dxh s GLU 49 Cb 0.16 -0.08 0.02 0.00 -1.78 0.00 0.00 34.13 32.46 3dxh s GLU 49 CO -0.06 -0.26 1.18 -1.54 -0.49 0.00 0.00 175.26 174.09 3dxh s SER 50 N -3.20 4.60 0.25 -0.19 1.04 -1.26 -4.39 113.70 110.54 3dxh s SER 50 Ca 0.32 2.25 -0.05 0.00 0.48 0.00 0.00 55.95 58.95 3dxh s SER 50 Cb 0.07 -2.58 0.33 0.00 0.10 0.00 0.00 66.02 63.94 3dxh s SER 50 CO 0.09 -1.99 1.87 0.25 0.98 0.00 0.00 173.24 174.44 3dxh h LEU 51 N -0.04 0.93 -0.70 2.42 5.85 -1.98 -1.68 115.31 120.12 3dxh h LEU 51 Ca -0.48 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.31 3dxh h LEU 51 Cb 1.28 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 3dxh h LEU 51 CO 0.52 0.62 0.40 0.00 -0.34 0.00 0.00 178.44 179.63 3dxh h ALA 52 N 1.40 0.94 -0.43 1.25 0.00 -1.99 0.12 119.26 120.56 3dxh h ALA 52 Ca 0.38 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 3dxh h ALA 52 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dxh h ALA 52 CO -0.15 0.09 -0.15 -0.44 0.00 0.00 0.00 179.25 178.60 3dxh h ASP 53 N 0.73 0.79 -0.23 0.00 3.32 -1.74 -1.09 116.42 118.21 3dxh h ASP 53 Ca 0.31 -0.26 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 3dxh h ASP 53 Cb 0.18 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3dxh h ASP 53 CO -0.18 0.95 -0.39 0.58 -1.72 0.00 0.00 179.24 178.48 3dxh h VAL 54 N 0.71 1.32 -0.47 -1.35 2.07 -0.92 -3.04 116.25 114.56 3dxh h VAL 54 Ca 0.11 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 3dxh h VAL 54 Cb 0.65 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 3dxh h VAL 54 CO 0.05 0.50 0.27 1.56 0.02 0.00 0.00 177.57 179.96 3dxh h GLN 55 N 0.37 0.64 0.00 1.57 4.20 -0.66 -1.64 115.11 119.59 3dxh h GLN 55 Ca 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3dxh h GLN 55 Cb 0.98 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.63 3dxh h GLN 55 CO 0.09 0.46 0.00 0.00 -0.67 0.00 0.00 178.83 178.71 3dxh h ALA 56 N 1.65 1.00 0.00 3.87 0.00 -1.08 -2.13 119.26 122.57 3dxh h ALA 56 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dxh h ALA 56 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dxh h ALA 56 CO -0.03 0.00 -0.02 0.28 0.00 0.00 0.00 179.25 179.48 3dxh h VAL 57 N 0.00 0.67 0.00 0.00 2.07 -1.29 -0.82 116.25 116.87 3dxh h VAL 57 Ca 0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3dxh h VAL 57 Cb 0.09 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3dxh h VAL 57 CO 0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 3dxh n SER 59 N -1.29 2.98 0.00 0.00 7.64 -0.31 -5.01 113.62 117.62 3dxh n SER 59 Ca 0.05 -2.64 0.00 0.00 1.01 0.00 0.00 58.87 57.29 3dxh n SER 59 Cb 0.08 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 3dxh n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dxh n GLN 60 N -0.51 0.00 -2.71 1.43 6.02 -0.15 -5.01 117.38 116.46 3dxh n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 3dxh n GLN 60 Cb 0.62 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.85 3dxh n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3dxh s LYS 61 N 3.92 3.62 0.04 -1.09 2.20 -0.94 -4.89 119.74 122.59 3dxh s LYS 61 Ca 0.00 0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 55.65 3dxh s LYS 61 Cb 0.00 -3.92 -0.06 0.00 -1.51 0.00 0.00 37.83 32.33 3dxh s LYS 61 CO 0.00 -1.32 1.42 1.21 -0.36 0.00 0.00 175.35 176.30 3dxh s ASN 62 N 2.39 6.82 0.07 1.43 3.04 -1.26 -0.32 114.94 127.11 3dxh s ASN 62 Ca 0.42 2.21 -0.00 0.00 0.04 0.00 0.00 52.86 55.53 3dxh s ASN 62 Cb -0.09 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 37.02 3dxh s ASN 62 CO 0.29 -0.71 -0.03 0.68 -3.04 0.00 0.00 177.10 174.29 3dxh s VAL 63 N 2.03 0.33 0.45 -5.21 -7.23 0.05 -4.93 120.40 105.90 3dxh s VAL 63 Ca 0.65 -1.85 -0.23 0.00 -1.81 0.00 0.00 61.98 58.74 3dxh s VAL 63 Cb -0.34 -1.62 -0.08 0.00 0.56 0.00 0.00 36.38 34.91 3dxh s VAL 63 CO 0.28 -0.91 1.15 0.00 -0.31 0.00 0.00 175.10 175.31 3dxh s ALA 64 N -3.86 2.99 0.62 1.32 0.00 -1.26 -2.63 121.76 118.94 3dxh s ALA 64 Ca 0.10 0.91 -0.10 0.00 0.00 0.00 0.00 51.96 52.87 3dxh s ALA 64 Cb 0.07 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3dxh s ALA 64 CO -0.07 -0.60 1.01 0.00 0.00 0.00 0.00 175.76 176.09 3dxh h LYS 66 N -0.30 0.34 -0.01 0.00 1.57 -1.93 -0.65 116.57 115.59 3dxh h LYS 66 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3dxh h LYS 66 Cb 1.21 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3dxh h LYS 66 CO 0.62 0.23 0.00 0.27 -0.57 0.00 0.00 179.45 180.00 3dxh n ASN 67 N -4.47 0.12 0.00 0.86 0.23 -1.26 -4.89 115.26 105.85 3dxh n ASN 67 Ca 0.17 -1.25 0.00 0.00 -0.53 0.00 0.00 54.58 52.97 3dxh n ASN 67 Cb 0.67 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.36 3dxh n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dxh n GLY 68 N 0.91 1.83 3.74 4.83 0.00 -0.25 -5.05 105.19 111.20 3dxh n GLY 68 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3dxh n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dxh s GLN 69 N -0.46 1.50 -0.20 1.61 -0.21 -1.26 -4.75 119.66 115.89 3dxh s GLN 69 Ca 0.00 0.85 0.12 0.00 0.02 0.00 0.00 55.36 56.34 3dxh s GLN 69 Cb 0.00 -1.84 0.42 0.00 1.00 0.00 0.00 33.01 32.60 3dxh s GLN 69 CO 0.00 -2.08 1.22 0.25 -2.12 0.00 0.00 175.29 172.56 3dxh n THR 70 N -3.77 2.12 -1.19 -0.19 -2.24 -1.26 -0.49 114.28 107.25 3dxh n THR 70 Ca 0.07 -3.19 -0.15 0.00 -2.27 0.00 0.00 64.05 58.51 3dxh n THR 70 Cb 0.55 -0.22 0.23 0.00 -2.10 0.00 0.00 70.33 68.79 3dxh n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3dxh n ASN 71 N -1.02 4.00 -4.93 3.42 6.94 -1.26 -4.73 115.26 117.68 3dxh n ASN 71 Ca 0.20 -3.48 -0.28 0.00 -0.02 0.00 0.00 54.58 50.99 3dxh n ASN 71 Cb 0.73 -0.78 -0.03 0.00 -2.36 0.00 0.00 39.78 37.33 3dxh n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dxh s TYR 73 N -1.78 0.14 -0.18 0.00 1.51 0.44 -0.77 117.35 116.72 3dxh s TYR 73 Ca 0.37 0.04 -0.09 0.00 -1.01 0.00 0.00 57.07 56.38 3dxh s TYR 73 Cb -0.11 -0.23 -0.05 0.00 -0.11 0.00 0.00 41.96 41.46 3dxh s TYR 73 CO 0.28 -0.07 0.12 -1.14 -1.11 0.00 0.00 175.55 173.63 3dxh s GLN 74 N 0.69 4.02 0.30 -0.62 0.74 0.57 -1.15 119.66 124.20 3dxh s GLN 74 Ca -0.06 -0.22 -0.29 0.00 0.05 0.00 0.00 55.36 54.83 3dxh s GLN 74 Cb -0.09 -3.35 -0.11 0.00 1.10 0.00 0.00 33.01 30.56 3dxh s GLN 74 CO -0.02 0.39 1.52 -1.54 -0.55 0.00 0.00 175.29 175.09 3dxh s SER 75 N 0.10 6.45 0.19 6.67 1.04 0.12 -2.22 113.70 126.04 3dxh s SER 75 Ca 0.09 2.90 -0.08 0.00 0.48 0.00 0.00 55.95 59.33 3dxh s SER 75 Cb -0.11 -2.64 0.10 0.00 0.10 0.00 0.00 66.02 63.47 3dxh s SER 75 CO -0.01 -0.84 1.67 1.88 0.98 0.00 0.00 173.24 176.92 3dxh h TYR 76 N 4.40 1.15 -2.74 5.02 0.05 -1.94 -3.43 116.97 119.48 3dxh h TYR 76 Ca -0.48 -0.19 -0.50 0.00 0.05 0.00 0.00 58.73 57.61 3dxh h TYR 76 Cb 1.22 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.65 3dxh h TYR 76 CO 0.58 1.00 -0.29 -1.12 -1.05 0.00 0.00 178.16 177.27 3dxh s SER 77 N -6.57 6.35 0.61 3.88 0.01 -1.26 -5.04 113.70 111.68 3dxh s SER 77 Ca -0.12 0.38 -0.16 0.00 1.31 0.00 0.00 55.95 57.37 3dxh s SER 77 Cb 0.14 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 3dxh s SER 77 CO 0.85 -0.13 1.08 0.42 0.41 0.00 0.00 173.24 175.87 3dxh s THR 78 N -2.04 3.56 0.10 1.44 -4.23 -1.26 -4.43 115.64 108.78 3dxh s THR 78 Ca 0.38 0.75 0.06 0.00 -1.18 0.00 0.00 61.69 61.71 3dxh s THR 78 Cb -0.10 -3.27 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 3dxh s THR 78 CO 0.31 -0.42 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.78 3dxh s MET 79 N -4.01 0.94 -0.05 3.99 -1.94 0.84 -4.85 119.30 114.22 3dxh s MET 79 Ca 0.65 -1.10 -0.30 0.00 -1.71 0.00 0.00 55.69 53.24 3dxh s MET 79 Cb -0.18 -0.93 -0.05 0.00 2.01 0.00 0.00 34.83 35.68 3dxh s MET 79 CO 0.38 0.20 1.42 0.45 -0.01 0.00 0.00 175.02 177.45 3dxh s SER 80 N -2.05 6.84 0.13 3.03 0.15 -1.26 -1.61 113.70 118.92 3dxh s SER 80 Ca 0.04 2.05 0.03 0.00 0.70 0.00 0.00 55.95 58.76 3dxh s SER 80 Cb -0.08 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3dxh s SER 80 CO 0.03 -0.77 -0.07 0.27 1.20 0.00 0.00 173.24 173.91 3dxh s ILE 81 N 2.95 0.85 -0.14 6.45 -4.36 -0.03 -0.20 121.20 126.73 3dxh s ILE 81 Ca 0.64 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 3dxh s ILE 81 Cb -0.30 -1.82 0.02 0.00 1.25 0.00 0.00 42.46 41.62 3dxh s ILE 81 CO 0.25 -0.76 -0.15 -0.89 0.24 0.00 0.00 174.94 173.62 3dxh s THR 82 N -3.53 1.62 -0.16 8.37 2.01 0.18 -1.22 115.64 122.91 3dxh s THR 82 Ca 0.16 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.27 3dxh s THR 82 Cb 0.05 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 3dxh s THR 82 CO -0.01 0.47 0.62 -1.81 -0.69 0.00 0.00 174.62 173.19 3dxh s ASP 83 N 1.31 6.74 -0.24 3.53 1.01 0.21 -0.97 116.67 128.25 3dxh s ASP 83 Ca 0.01 0.90 -0.06 0.00 0.71 0.00 0.00 52.55 54.11 3dxh s ASP 83 Cb -0.14 -2.35 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 3dxh s ASP 83 CO -0.08 -0.20 0.03 0.00 0.21 0.00 0.00 175.17 175.13 3dxh s ARG 85 N 1.57 1.36 0.42 0.00 3.52 -0.97 -0.85 118.95 123.99 3dxh s ARG 85 Ca 0.06 -0.29 -0.25 0.00 -0.13 0.00 0.00 55.73 55.12 3dxh s ARG 85 Cb -0.15 -1.19 -0.10 0.00 -1.56 0.00 0.00 34.95 31.95 3dxh s ARG 85 CO 0.01 -0.02 1.26 -1.91 -0.81 0.00 0.00 175.30 173.83 3dxh n GLU 86 N 3.94 1.90 -1.53 5.12 2.13 0.29 -1.16 120.64 131.33 3dxh n GLU 86 Ca -0.23 0.68 -0.31 0.00 0.66 0.00 0.00 57.16 57.96 3dxh n GLU 86 Cb 0.51 -2.37 0.06 0.00 0.27 0.00 0.00 31.44 29.92 3dxh n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3dxh s THR 87 N -1.20 3.83 0.48 6.31 -4.23 -0.28 -4.77 115.64 115.78 3dxh s THR 87 Ca 0.61 0.59 0.26 0.00 -1.18 0.00 0.00 61.69 61.98 3dxh s THR 87 Cb -0.51 -3.30 0.30 0.00 1.34 0.00 0.00 72.50 70.33 3dxh s THR 87 CO 0.58 -0.78 2.13 1.23 -0.54 0.00 0.00 174.62 177.24 3dxh h GLY 88 N -0.82 0.00 -0.69 3.99 0.00 -1.93 -2.82 103.07 100.81 3dxh h GLY 88 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3dxh h GLY 88 CO 0.56 0.00 -0.28 -1.14 0.00 0.00 0.00 176.54 175.68 3dxh n SER 89 N -3.82 1.80 -4.74 0.19 3.41 -1.26 -4.97 113.62 104.23 3dxh n SER 89 Ca -0.02 -1.39 -0.41 0.00 -0.26 0.00 0.00 58.87 56.78 3dxh n SER 89 Cb 0.18 0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 3dxh n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dxh s SER 90 N -2.36 6.64 -0.10 4.04 0.15 -1.07 -5.01 113.70 115.99 3dxh s SER 90 Ca 0.24 2.66 -0.04 0.00 0.70 0.00 0.00 55.95 59.51 3dxh s SER 90 Cb 0.19 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.93 3dxh s SER 90 CO 0.49 -0.71 0.21 -0.75 1.20 0.00 0.00 173.24 173.68 3dxh s LYS 91 N -0.25 0.11 0.36 5.44 2.20 -1.24 -4.94 119.74 121.42 3dxh s LYS 91 Ca 0.60 0.62 -0.27 0.00 -0.36 0.00 0.00 55.97 56.57 3dxh s LYS 91 Cb -0.42 -0.15 -0.12 0.00 -1.51 0.00 0.00 37.83 35.63 3dxh s LYS 91 CO 0.42 -0.27 1.13 0.98 -0.36 0.00 0.00 175.35 177.26 3dxh n TYR 92 N 5.11 1.67 1.88 4.03 9.36 -1.26 -0.99 117.16 136.96 3dxh n TYR 92 Ca -0.10 0.59 0.13 0.00 3.32 0.00 0.00 57.90 61.85 3dxh n TYR 92 Cb 0.50 -2.31 0.74 0.00 -0.63 0.00 0.00 39.34 37.64 3dxh n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dxh n PRO 93 N 0.41 1.14 -2.86 2.98 -0.04 -1.26 -4.95 135.00 130.41 3dxh n PRO 93 Ca 0.08 -0.21 -0.43 0.00 -0.04 0.00 0.00 63.50 62.90 3dxh n PRO 93 Cb 0.36 -1.43 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 3dxh n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dxh n ASN 94 N -0.69 6.48 -4.72 3.54 3.02 -0.16 -5.01 115.26 117.72 3dxh n ASN 94 Ca 0.20 -3.42 -0.42 0.00 -0.03 0.00 0.00 54.58 50.91 3dxh n ASN 94 Cb 0.15 -1.28 -0.03 0.00 -0.61 0.00 0.00 39.78 38.01 3dxh n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dxh s ALA 96 N 1.12 1.23 0.05 0.00 0.00 -1.26 -4.95 121.76 117.95 3dxh s ALA 96 Ca 0.66 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 52.12 3dxh s ALA 96 Cb -0.39 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 3dxh s ALA 96 CO 0.31 0.24 -0.15 0.71 0.00 0.00 0.00 175.76 176.87 3dxh s TYR 97 N -0.02 1.29 -0.11 0.00 2.02 -1.26 -1.13 117.35 118.14 3dxh s TYR 97 Ca -0.01 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.15 3dxh s TYR 97 Cb -0.09 -0.75 -0.05 0.00 -0.40 0.00 0.00 41.96 40.67 3dxh s TYR 97 CO 0.01 0.05 0.41 0.15 -1.57 0.00 0.00 175.55 174.60 3dxh s LYS 98 N -1.29 4.25 -0.23 -0.62 -0.14 -0.31 -4.67 119.74 116.72 3dxh s LYS 98 Ca 0.01 0.33 -0.14 0.00 -1.36 0.00 0.00 55.97 54.82 3dxh s LYS 98 Cb -0.08 -3.40 -0.04 0.00 -1.68 0.00 0.00 37.83 32.62 3dxh s LYS 98 CO 0.02 0.26 0.30 0.99 -0.76 0.00 0.00 175.35 176.16 3dxh s THR 99 N 0.32 5.25 -0.14 2.17 2.01 -1.26 -2.30 115.64 121.69 3dxh s THR 99 Ca 0.23 0.47 -0.01 0.00 0.31 0.00 0.00 61.69 62.69 3dxh s THR 99 Cb -0.15 -3.63 0.04 0.00 0.01 0.00 0.00 72.50 68.77 3dxh s THR 99 CO 0.09 0.26 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.36 3dxh s THR 100 N 1.40 0.83 0.25 -0.82 2.01 -0.54 -4.96 115.64 113.81 3dxh s THR 100 Ca 0.14 -0.37 -0.24 0.00 0.31 0.00 0.00 61.69 61.53 3dxh s THR 100 Cb -0.15 -1.02 -0.09 0.00 0.01 0.00 0.00 72.50 71.26 3dxh s THR 100 CO 0.07 0.16 0.83 -1.10 -0.69 0.00 0.00 174.62 173.89 3dxh s GLN 101 N 1.76 4.47 0.17 4.92 -0.21 -1.26 -0.62 119.66 128.90 3dxh s GLN 101 Ca 0.02 1.14 -0.18 0.00 0.02 0.00 0.00 55.36 56.36 3dxh s GLN 101 Cb -0.14 -2.93 0.03 0.00 1.00 0.00 0.00 33.01 30.97 3dxh s GLN 101 CO -0.07 0.38 0.50 0.00 -2.12 0.00 0.00 175.29 173.98 3dxh s ALA 102 N -1.48 -0.98 -0.29 6.09 0.00 -0.36 -4.95 121.76 119.78 3dxh s ALA 102 Ca 0.45 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.31 3dxh s ALA 102 Cb -0.19 0.82 0.08 0.00 0.00 0.00 0.00 23.12 23.83 3dxh s ALA 102 CO 0.24 -0.76 -0.02 1.21 0.00 0.00 0.00 175.76 176.43 3dxh s ASN 103 N -2.85 4.40 0.09 0.00 3.84 -1.26 -0.85 114.94 118.31 3dxh s ASN 103 Ca 0.07 -1.67 -0.04 0.00 0.21 0.00 0.00 52.86 51.44 3dxh s ASN 103 Cb -0.00 -1.43 -0.03 0.00 -0.55 0.00 0.00 41.25 39.24 3dxh s ASN 103 CO -0.06 -0.30 0.08 -0.54 -2.79 0.00 0.00 177.10 173.49 3dxh s LYS 104 N 1.14 0.80 0.34 0.43 1.02 -0.63 -4.79 119.74 118.05 3dxh s LYS 104 Ca 0.01 -1.20 -0.27 0.00 0.02 0.00 0.00 55.97 54.53 3dxh s LYS 104 Cb -0.19 0.27 -0.09 0.00 -0.52 0.00 0.00 37.83 37.30 3dxh s LYS 104 CO -0.08 -0.22 1.12 -1.01 -0.92 0.00 0.00 175.35 174.24 3dxh s HIS 105 N -3.94 3.34 0.09 3.18 3.76 -0.05 -0.11 115.29 121.56 3dxh s HIS 105 Ca 0.11 1.63 0.03 0.00 -0.15 0.00 0.00 55.06 56.68 3dxh s HIS 105 Cb 0.07 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 30.41 3dxh s HIS 105 CO -0.07 -0.86 0.13 0.96 -0.85 0.00 0.00 174.74 174.05 3dxh s ILE 106 N -1.33 4.76 -0.15 0.60 -4.36 -1.26 -0.71 121.20 118.75 3dxh s ILE 106 Ca 0.51 -0.74 0.01 0.00 -0.26 0.00 0.00 60.65 60.18 3dxh s ILE 106 Cb -0.30 -3.33 0.02 0.00 1.25 0.00 0.00 42.46 40.09 3dxh s ILE 106 CO 0.38 0.07 -0.19 -0.63 0.24 0.00 0.00 174.94 174.82 3dxh s ILE 107 N -1.50 1.87 0.10 8.37 1.01 0.64 -0.71 121.20 130.98 3dxh s ILE 107 Ca 0.31 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 60.19 3dxh s ILE 107 Cb -0.12 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3dxh s ILE 107 CO 0.24 0.51 -0.18 0.68 0.00 0.00 0.00 174.94 176.20 3dxh s VAL 108 N 1.13 1.47 0.04 2.92 -7.23 -0.30 -0.31 120.40 118.12 3dxh s VAL 108 Ca -0.01 -1.52 -0.20 0.00 -1.81 0.00 0.00 61.98 58.44 3dxh s VAL 108 Cb -0.14 -1.42 -0.06 0.00 0.56 0.00 0.00 36.38 35.32 3dxh s VAL 108 CO -0.07 -0.19 0.59 0.00 -0.31 0.00 0.00 175.10 175.12 3dxh s ALA 109 N -1.41 3.53 0.00 1.32 0.00 -0.19 -0.42 121.76 124.60 3dxh s ALA 109 Ca 0.05 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.13 3dxh s ALA 109 Cb -0.09 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 3dxh s ALA 109 CO 0.04 0.28 -0.23 0.00 0.00 0.00 0.00 175.76 175.85 3dxh s GLU 111 N -0.94 1.04 0.02 0.00 2.12 -0.54 -4.89 118.70 115.51 3dxh s GLU 111 Ca 0.12 -0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.35 3dxh s GLU 111 Cb -0.10 0.49 0.00 0.00 0.26 0.00 0.00 34.13 34.77 3dxh s GLU 111 CO 0.01 -0.40 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 3dxh n GLY 112 N 0.25 -3.68 2.83 -1.50 0.00 -1.26 -2.98 105.19 98.85 3dxh n GLY 112 Ca -0.16 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 3dxh n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dxh s ASN 113 N -0.80 3.26 0.67 1.61 3.04 -1.26 -2.02 114.94 119.43 3dxh s ASN 113 Ca 0.00 -0.94 -0.17 0.00 0.04 0.00 0.00 52.86 51.79 3dxh s ASN 113 Cb 0.00 -0.85 0.00 0.00 -1.54 0.00 0.00 41.25 38.87 3dxh s ASN 113 CO 0.00 -0.27 1.21 -2.16 -3.04 0.00 0.00 177.10 172.84 3dxh s PRO 114 N 1.66 2.55 -0.70 0.43 0.04 -1.26 -5.09 135.00 132.63 3dxh s PRO 114 Ca -0.03 1.78 -0.25 0.00 0.04 0.00 0.00 61.00 62.53 3dxh s PRO 114 Cb -0.18 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.53 3dxh s PRO 114 CO -0.07 -1.52 1.15 -0.47 0.04 0.00 0.00 177.00 176.13 3dxh s TYR 115 N -1.82 2.45 0.20 0.56 5.04 -0.86 -4.86 117.35 118.07 3dxh s TYR 115 Ca 0.75 -0.21 0.01 0.00 -2.44 0.00 0.00 57.07 55.19 3dxh s TYR 115 Cb -0.29 -4.49 -0.05 0.00 0.35 0.00 0.00 41.96 37.48 3dxh s TYR 115 CO 0.40 -1.88 0.04 0.14 -1.34 0.00 0.00 175.55 172.91 3dxh s VAL 116 N 5.05 0.60 0.28 3.14 -7.23 -1.16 -4.85 120.40 116.24 3dxh s VAL 116 Ca 0.31 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 3dxh s VAL 116 Cb -0.11 -2.32 -0.10 0.00 0.56 0.00 0.00 36.38 34.41 3dxh s VAL 116 CO 0.14 -0.29 1.34 -2.84 -0.31 0.00 0.00 175.10 173.14 3dxh s PRO 117 N -3.97 4.34 0.00 4.82 0.02 -1.26 -1.47 135.00 137.48 3dxh s PRO 117 Ca 0.29 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3dxh s PRO 117 Cb 0.07 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.48 3dxh s PRO 117 CO 0.08 -0.26 0.25 1.33 -0.33 0.00 0.00 177.00 178.07 3dxh n VAL 118 N 1.60 0.00 -3.61 3.83 0.24 0.11 -4.46 118.33 116.04 3dxh n VAL 118 Ca 0.03 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.34 61.86 3dxh n VAL 118 Cb 0.42 1.27 -0.07 0.00 -1.47 0.00 0.00 33.84 33.99 3dxh n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3dxh s HIS 119 N -0.14 -0.73 -0.34 6.34 5.65 -1.19 -4.69 115.29 120.19 3dxh s HIS 119 Ca 0.00 1.66 -0.15 0.00 0.25 0.00 0.00 55.06 56.82 3dxh s HIS 119 Cb 0.00 0.31 -0.01 0.00 -1.18 0.00 0.00 32.58 31.70 3dxh s HIS 119 CO 0.00 -0.42 0.34 0.12 -0.65 0.00 0.00 174.74 174.13 3dxh s PHE 120 N -0.02 3.21 -0.13 3.88 2.19 -1.26 -1.02 117.98 124.83 3dxh s PHE 120 Ca -0.02 -0.04 -0.16 0.00 0.33 0.00 0.00 56.93 57.04 3dxh s PHE 120 Cb -0.04 -2.63 -0.25 0.00 -1.31 0.00 0.00 43.02 38.79 3dxh s PHE 120 CO 0.02 -0.41 0.43 0.22 1.83 0.00 0.00 175.22 177.32 3dxh h ASP 121 N 8.46 0.28 -5.27 6.13 3.58 -1.01 -3.49 116.42 125.10 3dxh h ASP 121 Ca -0.30 -0.79 0.30 0.00 0.42 0.00 0.00 57.03 56.65 3dxh h ASP 121 Cb 1.15 -0.09 -0.14 0.00 1.72 0.00 0.00 39.33 41.97 3dxh h ASP 121 CO 0.68 1.62 0.81 0.00 -2.88 0.00 0.00 179.24 179.47 3dxh s ALA 122 N -2.46 -2.16 0.06 -0.78 0.00 -1.09 -4.97 121.76 110.37 3dxh s ALA 122 Ca -0.23 0.96 0.08 0.00 0.00 0.00 0.00 51.96 52.77 3dxh s ALA 122 Cb 0.05 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 3dxh s ALA 122 CO 0.72 -0.91 -0.19 -1.54 0.00 0.00 0.00 175.76 173.84 3dxh s SER 123 N -2.73 3.72 0.00 0.00 1.04 -1.26 -0.26 113.70 114.21 3dxh s SER 123 Ca 0.12 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.07 3dxh s SER 123 Cb 0.03 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.61 3dxh s SER 123 CO -0.04 0.24 0.22 1.33 0.98 0.00 0.00 173.24 175.96