#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 4.26 0.82 -1.58 2.12 -1.26 -5.03 118.70 118.03 3dxh s GLU 2 Ca 0.00 1.56 -0.11 0.00 0.36 0.00 0.00 54.97 56.79 3dxh s GLU 2 Cb 0.00 -3.69 0.08 0.00 0.26 0.00 0.00 34.13 30.78 3dxh s GLU 2 CO 0.00 -0.64 1.10 0.95 -0.54 0.00 0.00 175.26 176.13 3dxh s THR 3 N 3.19 3.01 0.25 -1.70 -4.23 -1.26 -4.83 115.64 110.08 3dxh s THR 3 Ca 0.51 0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 61.31 3dxh s THR 3 Cb -0.20 -2.72 0.25 0.00 1.34 0.00 0.00 72.50 71.17 3dxh s THR 3 CO 0.13 -0.43 1.89 0.00 -0.54 0.00 0.00 174.62 175.68 3dxh h ALA 4 N -1.33 1.31 -0.58 3.99 0.00 -1.96 -0.44 119.26 120.25 3dxh h ALA 4 Ca -0.44 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3dxh h ALA 4 Cb 1.24 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3dxh h ALA 4 CO 0.50 0.50 0.30 0.00 0.00 0.00 0.00 179.25 180.54 3dxh h ALA 5 N 1.41 0.74 -0.54 0.00 0.00 -1.91 -1.79 119.26 117.17 3dxh h ALA 5 Ca 0.40 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3dxh h ALA 5 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3dxh h ALA 5 CO -0.14 0.28 -0.03 0.00 0.00 0.00 0.00 179.25 179.37 3dxh h ALA 6 N 1.13 0.73 -0.91 0.00 0.00 -1.77 -1.95 119.26 116.48 3dxh h ALA 6 Ca 0.20 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3dxh h ALA 6 Cb 0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3dxh h ALA 6 CO -0.03 0.58 0.61 -0.22 0.00 0.00 0.00 179.25 180.18 3dxh h LYS 7 N 0.85 1.20 -0.60 0.00 3.64 -0.96 -0.50 116.57 120.20 3dxh h LYS 7 Ca 0.15 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3dxh h LYS 7 Cb 0.57 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 3dxh h LYS 7 CO 0.03 0.80 0.30 0.35 -2.27 0.00 0.00 179.45 178.66 3dxh h PHE 8 N 1.24 0.85 -0.74 1.91 3.04 -0.97 0.49 116.94 122.76 3dxh h PHE 8 Ca 0.34 -0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.22 3dxh h PHE 8 Cb -0.14 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.07 3dxh h PHE 8 CO -0.00 0.63 0.32 0.93 -2.02 0.00 0.00 178.31 178.17 3dxh h GLU 9 N 0.81 1.10 -0.43 1.11 5.08 -0.75 0.11 114.58 121.62 3dxh h GLU 9 Ca 0.21 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 3dxh h GLU 9 Cb 0.09 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3dxh h GLU 9 CO -0.03 0.88 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.63 3dxh h ARG 10 N 1.06 0.85 0.00 2.33 2.43 -0.76 -1.55 114.38 118.74 3dxh h ARG 10 Ca 0.25 -0.34 -0.17 0.00 -0.81 0.00 0.00 59.98 58.91 3dxh h ARG 10 Cb 0.18 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3dxh h ARG 10 CO -0.02 0.98 -0.82 1.96 -1.51 0.00 0.00 179.97 180.56 3dxh h GLN 11 N 0.68 0.00 0.00 0.20 4.20 -0.70 -3.41 115.11 116.08 3dxh h GLN 11 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3dxh h GLN 11 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3dxh h GLN 11 CO 0.05 0.74 -0.01 0.72 -0.67 0.00 0.00 178.83 179.66 3dxh n HIS 12 N -3.27 0.00 -3.68 2.96 8.25 0.36 -4.68 115.22 115.17 3dxh n HIS 12 Ca -0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 3dxh n HIS 12 Cb 0.85 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.88 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 -0.41 4.16 -0.42 -0.41 -1.94 -0.59 0.12 119.30 119.81 3dxh s MET 13 Ca 0.00 -0.19 0.05 0.00 -1.71 0.00 0.00 55.69 53.84 3dxh s MET 13 Cb 0.00 -3.46 0.19 0.00 2.01 0.00 0.00 34.83 33.57 3dxh s MET 13 CO 0.00 0.21 0.44 -3.47 -0.01 0.00 0.00 175.02 172.18 3dxh n ASP 14 N 3.81 -0.69 0.24 3.03 2.03 -0.22 -4.83 116.55 119.92 3dxh n ASP 14 Ca -0.15 -2.53 0.16 0.00 0.52 0.00 0.00 54.79 52.79 3dxh n ASP 14 Cb 0.52 -0.28 0.72 0.00 -0.72 0.00 0.00 41.12 41.36 3dxh n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3dxh h SER 15 N 5.12 0.00 0.06 1.67 0.02 -1.75 -3.34 113.55 115.33 3dxh h SER 15 Ca 0.19 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3dxh h SER 15 Cb 0.93 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 3dxh h SER 15 CO 0.36 0.00 -0.10 0.28 -1.14 0.00 0.00 176.83 176.23 3dxh h SER 16 N 0.00 0.08 -3.92 3.07 0.02 -1.92 -3.44 113.55 107.45 3dxh h SER 16 Ca 0.00 -0.01 -0.69 0.00 -0.84 0.00 0.00 61.79 60.25 3dxh h SER 16 Cb 0.36 -0.02 -0.22 0.00 0.14 0.00 0.00 62.40 62.66 3dxh h SER 16 CO 0.00 0.19 -0.85 0.28 -1.14 0.00 0.00 176.83 175.31 3dxh s THR 17 N -4.82 2.44 0.03 -2.27 -1.32 -1.25 -5.03 115.64 103.42 3dxh s THR 17 Ca -0.05 -1.59 0.20 0.00 -1.21 0.00 0.00 61.69 59.04 3dxh s THR 17 Cb 0.16 -2.07 0.17 0.00 -1.51 0.00 0.00 72.50 69.25 3dxh s THR 17 CO 0.70 0.15 1.69 0.28 -2.21 0.00 0.00 174.62 175.23 3dxh h SER 18 N 4.02 0.00 0.00 8.08 0.02 -1.89 -3.44 113.55 120.35 3dxh h SER 18 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3dxh h SER 18 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3dxh h SER 18 CO 0.42 0.32 0.00 0.00 -1.14 0.00 0.00 176.83 176.43 3dxh n ALA 19 N -2.23 0.00 0.00 3.77 0.00 -1.26 -4.83 120.51 115.96 3dxh n ALA 19 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3dxh n ALA 19 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3dxh n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxh n ALA 20 N 0.00 0.00 -1.24 0.00 0.00 -1.26 -4.75 120.51 113.26 3dxh n ALA 20 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dxh n ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3dxh n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dxh n SER 21 N -2.65 -1.79 -4.19 0.00 7.64 -1.26 -4.87 113.62 106.49 3dxh n SER 21 Ca 0.00 0.11 -0.29 0.00 1.01 0.00 0.00 58.87 59.70 3dxh n SER 21 Cb 0.00 -0.43 0.27 0.00 -1.01 0.00 0.00 64.21 63.04 3dxh n SER 21 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3dxh n SER 22 N 1.44 -2.44 0.25 6.43 3.41 -1.26 -4.77 113.62 116.68 3dxh n SER 22 Ca -0.00 -0.35 0.15 0.00 -0.26 0.00 0.00 58.87 58.41 3dxh n SER 22 Cb 0.14 -1.17 0.84 0.00 -0.26 0.00 0.00 64.21 63.76 3dxh n SER 22 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3dxh h SER 23 N -2.93 0.00 0.55 4.04 0.87 -1.93 -1.05 113.55 113.11 3dxh h SER 23 Ca -0.58 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 3dxh h SER 23 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 3dxh h SER 23 CO 0.44 0.00 -0.14 0.59 -0.53 0.00 0.00 176.83 177.19 3dxh n ASN 24 N -3.92 0.32 -0.04 6.23 3.02 -1.26 -4.52 115.26 115.09 3dxh n ASN 24 Ca -0.01 -0.23 -0.08 0.00 -0.03 0.00 0.00 54.58 54.23 3dxh n ASN 24 Cb 0.20 -0.14 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 3dxh n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3dxh h TYR 25 N 0.29 -0.30 -0.51 3.10 3.20 -1.48 -2.47 116.97 118.79 3dxh h TYR 25 Ca 0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 3dxh h TYR 25 Cb 0.41 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 3dxh h TYR 25 CO 0.00 -0.19 -0.01 0.00 -1.64 0.00 0.00 178.16 176.32 3dxh h ASN 27 N 0.79 0.42 -0.03 0.00 2.35 -1.74 0.15 115.58 117.52 3dxh h ASN 27 Ca 0.14 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.92 3dxh h ASN 27 Cb 0.54 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 3dxh h ASN 27 CO 0.03 0.24 -0.13 1.56 -1.65 0.00 0.00 177.43 177.48 3dxh h GLN 28 N 0.57 0.14 -0.41 0.81 4.20 -1.22 -3.26 115.11 115.94 3dxh h GLN 28 Ca 0.35 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 3dxh h GLN 28 Cb 0.39 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3dxh h GLN 28 CO -0.28 0.76 -0.14 0.52 -0.67 0.00 0.00 178.83 179.02 3dxh h MET 29 N -0.44 0.83 -0.80 1.46 2.86 -0.63 -2.28 114.93 115.92 3dxh h MET 29 Ca -0.01 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.29 3dxh h MET 29 Cb 0.78 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 3dxh h MET 29 CO 0.03 0.97 0.47 0.52 1.06 0.00 0.00 176.91 179.96 3dxh h MET 30 N 0.65 1.09 0.06 1.72 2.86 -1.12 -1.63 114.93 118.56 3dxh h MET 30 Ca 0.10 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dxh h MET 30 Cb 0.68 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3dxh h MET 30 CO 0.05 0.77 -0.03 -0.22 1.06 0.00 0.00 176.91 178.54 3dxh h LYS 31 N 1.11 -0.08 -0.19 1.72 3.64 -1.56 0.07 116.57 121.28 3dxh h LYS 31 Ca 0.29 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.58 3dxh h LYS 31 Cb -0.03 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3dxh h LYS 31 CO -0.05 0.39 -0.28 0.66 -2.27 0.00 0.00 179.45 177.89 3dxh h SER 32 N -0.58 0.36 0.00 4.20 4.64 -1.33 -0.09 113.55 120.75 3dxh h SER 32 Ca -0.01 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3dxh h SER 32 Cb 0.50 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3dxh h SER 32 CO 0.01 0.63 0.00 0.54 -0.87 0.00 0.00 176.83 177.15 3dxh n ARG 33 N -4.12 0.93 -2.87 4.77 5.12 -0.62 -4.88 116.66 114.99 3dxh n ARG 33 Ca -0.01 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.73 3dxh n ARG 33 Cb 0.40 -1.04 0.03 0.00 -1.16 0.00 0.00 32.46 30.69 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 -0.54 -5.24 -1.11 0.55 3.02 -0.05 -4.82 115.26 107.08 3dxh n ASN 34 Ca 0.02 -0.23 0.12 0.00 -0.03 0.00 0.00 54.58 54.45 3dxh n ASN 34 Cb 0.01 -4.08 0.19 0.00 -0.61 0.00 0.00 39.78 35.29 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 -3.29 3.36 0.00 3.41 4.77 -0.00 -4.11 117.00 121.14 3dxh n LEU 35 Ca -0.09 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 3dxh n LEU 35 Cb 0.60 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3dxh n LEU 35 CO 0.38 0.69 0.39 0.35 -1.33 0.00 0.00 177.39 177.87 3dxh n THR 36 N 1.46 0.59 0.02 -5.08 -2.24 -1.13 -2.20 114.28 105.70 3dxh n THR 36 Ca 0.18 -0.78 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 3dxh n THR 36 Cb 0.60 0.72 -0.09 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.06 0.02 -0.78 3.64 -1.88 -3.36 116.57 114.16 3dxh h LYS 37 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 3dxh h LYS 37 Cb 0.33 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 3dxh h LYS 37 CO 0.00 0.30 -2.14 -0.25 -2.27 0.00 0.00 179.45 175.09 3dxh n ASP 38 N -4.95 1.08 -3.41 4.20 8.00 -1.26 -5.02 116.55 115.19 3dxh n ASP 38 Ca -0.08 0.13 -0.11 0.00 0.71 0.00 0.00 54.79 55.44 3dxh n ASP 38 Cb 0.20 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 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 1.89 -0.50 -1.24 1.70 -1.26 -5.11 118.95 111.89 3dxh s ARG 39 Ca -0.16 -1.48 -0.26 0.00 -0.47 0.00 0.00 55.73 53.36 3dxh s ARG 39 Cb 0.07 0.51 0.03 0.00 -0.57 0.00 0.00 34.95 35.00 3dxh s ARG 39 CO 0.77 -0.82 0.97 0.00 -1.08 0.00 0.00 175.30 175.14 3dxh n LYS 41 N 7.44 2.52 -0.23 0.00 4.81 -0.94 -4.89 118.16 126.87 3dxh n LYS 41 Ca 0.05 0.92 -0.07 0.00 -0.87 0.00 0.00 58.31 58.34 3dxh n LYS 41 Cb 0.48 -2.79 0.04 0.00 0.02 0.00 0.00 35.03 32.78 3dxh n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3dxh h PRO 42 N 8.56 0.98 -3.33 1.64 0.11 -1.94 -3.43 132.00 134.59 3dxh h PRO 42 Ca -0.47 -0.19 -0.24 0.00 0.11 0.00 0.00 66.00 65.22 3dxh h PRO 42 Cb 1.24 -0.15 -0.31 0.00 0.11 0.00 0.00 31.00 31.89 3dxh h PRO 42 CO 0.94 0.83 -0.60 0.08 -0.21 0.00 0.00 178.00 179.03 3dxh s VAL 43 N -5.51 -0.04 -0.22 3.15 1.01 -1.26 -0.90 120.40 116.63 3dxh s VAL 43 Ca -0.13 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 3dxh s VAL 43 Cb 0.14 -0.21 0.06 0.00 0.00 0.00 0.00 36.38 36.37 3dxh s VAL 43 CO 0.81 0.06 0.56 0.21 0.00 0.00 0.00 175.10 176.73 3dxh s ASN 44 N 0.87 -0.63 -0.10 3.32 2.47 -0.51 -5.01 114.94 115.35 3dxh s ASN 44 Ca -0.07 1.16 -0.00 0.00 0.42 0.00 0.00 52.86 54.37 3dxh s ASN 44 Cb -0.09 1.13 -0.03 0.00 -1.45 0.00 0.00 41.25 40.81 3dxh s ASN 44 CO -0.04 -0.20 -0.08 -0.89 -3.72 0.00 0.00 177.10 172.17 3dxh s THR 45 N 0.69 3.55 -0.09 -5.21 2.01 -1.26 -0.77 115.64 114.55 3dxh s THR 45 Ca -0.03 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.44 3dxh s THR 45 Cb -0.05 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 3dxh s THR 45 CO -0.05 0.55 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.06 3dxh s PHE 46 N -0.23 3.09 -0.17 4.92 0.08 -0.00 -4.37 117.98 121.29 3dxh s PHE 46 Ca 0.03 0.07 -0.05 0.00 0.12 0.00 0.00 56.93 57.11 3dxh s PHE 46 Cb -0.13 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 3dxh s PHE 46 CO 0.03 0.35 -0.01 0.08 -0.10 0.00 0.00 175.22 175.56 3dxh s VAL 47 N -0.64 4.05 -0.94 -0.44 1.01 0.12 -0.56 120.40 123.00 3dxh s VAL 47 Ca 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 3dxh s VAL 47 Cb -0.12 -2.80 0.30 0.00 0.00 0.00 0.00 36.38 33.77 3dxh s VAL 47 CO 0.02 0.47 1.39 1.41 0.00 0.00 0.00 175.10 178.39 3dxh n HIS 48 N 3.73 2.81 -4.09 5.22 -0.00 0.12 -1.05 115.22 121.97 3dxh n HIS 48 Ca -0.17 -3.00 -0.10 0.00 -0.00 0.00 0.00 57.72 54.45 3dxh n HIS 48 Cb 0.52 -1.03 -0.09 0.00 -0.00 0.00 0.00 29.99 29.39 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 -3.22 0.98 0.66 -0.41 0.41 -1.26 -4.41 118.70 111.46 3dxh s GLU 49 Ca 0.37 -1.35 -0.17 0.00 -0.41 0.00 0.00 54.97 53.40 3dxh s GLU 49 Cb 0.13 0.28 -0.00 0.00 -1.78 0.00 0.00 34.13 32.76 3dxh s GLU 49 CO 0.00 -0.30 1.27 -1.54 -0.49 0.00 0.00 175.26 174.19 3dxh s SER 50 N -3.02 4.56 0.24 -0.19 1.04 -1.26 -4.29 113.70 110.78 3dxh s SER 50 Ca 0.21 2.55 -0.05 0.00 0.48 0.00 0.00 55.95 59.14 3dxh s SER 50 Cb 0.06 -2.61 0.37 0.00 0.10 0.00 0.00 66.02 63.94 3dxh s SER 50 CO 0.01 -2.03 1.80 0.25 0.98 0.00 0.00 173.24 174.24 3dxh h LEU 51 N 0.40 0.58 -0.90 2.42 5.85 -1.99 -2.07 115.31 119.60 3dxh h LEU 51 Ca -0.50 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 3dxh h LEU 51 Cb 1.33 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 3dxh h LEU 51 CO 0.52 0.33 0.14 0.00 -0.34 0.00 0.00 178.44 179.09 3dxh h ALA 52 N 1.45 1.11 -0.40 1.25 0.00 -1.99 0.66 119.26 121.33 3dxh h ALA 52 Ca 0.38 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3dxh h ALA 52 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3dxh h ALA 52 CO -0.26 0.60 -0.11 -0.44 0.00 0.00 0.00 179.25 179.04 3dxh h ASP 53 N 0.91 0.69 -0.03 0.00 3.32 -1.77 -0.30 116.42 119.23 3dxh h ASP 53 Ca 0.19 -0.20 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 3dxh h ASP 53 Cb 0.33 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 39.71 3dxh h ASP 53 CO 0.00 0.83 -0.80 0.58 -1.72 0.00 0.00 179.24 178.13 3dxh h VAL 54 N 0.64 1.34 -0.83 -1.35 2.07 -0.95 -3.16 116.25 114.02 3dxh h VAL 54 Ca 0.11 -2.11 0.08 0.00 0.82 0.00 0.00 66.70 65.60 3dxh h VAL 54 Cb 0.56 2.39 -0.06 0.00 -1.52 0.00 0.00 31.29 32.66 3dxh h VAL 54 CO 0.03 0.64 0.54 1.56 0.02 0.00 0.00 177.57 180.37 3dxh h GLN 55 N 0.21 0.83 0.00 1.57 4.20 -0.77 -1.67 115.11 119.48 3dxh h GLN 55 Ca -0.09 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 3dxh h GLN 55 Cb 1.47 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 3dxh h GLN 55 CO 0.16 0.55 -0.02 0.00 -0.67 0.00 0.00 178.83 178.85 3dxh h ALA 56 N 1.57 1.53 -0.14 3.87 0.00 -1.01 -2.37 119.26 122.71 3dxh h ALA 56 Ca 0.37 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.30 3dxh h ALA 56 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3dxh h ALA 56 CO -0.14 0.02 0.13 0.28 0.00 0.00 0.00 179.25 179.54 3dxh h VAL 57 N 0.00 0.66 0.00 0.00 2.07 -1.33 -1.04 116.25 116.61 3dxh h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3dxh h VAL 57 Cb 0.05 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3dxh h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3dxh n SER 59 N -1.58 2.61 0.00 0.00 3.41 -0.39 -5.01 113.62 112.67 3dxh n SER 59 Ca 0.01 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 3dxh n SER 59 Cb 0.08 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 3dxh n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dxh n GLN 60 N 0.30 2.51 -2.66 4.33 6.02 -0.11 -4.99 117.38 122.78 3dxh n GLN 60 Ca 0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.65 3dxh n GLN 60 Cb 0.37 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.60 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 3.92 -0.02 -1.09 2.20 -0.98 -4.85 119.74 122.84 3dxh s LYS 61 Ca 0.00 0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 56.13 3dxh s LYS 61 Cb 0.00 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 3dxh s LYS 61 CO 0.00 -1.06 1.29 1.21 -0.36 0.00 0.00 175.35 176.44 3dxh s ASN 62 N 1.94 6.96 0.08 1.43 3.04 -1.26 -0.22 114.94 126.91 3dxh s ASN 62 Ca 0.45 1.97 0.02 0.00 0.04 0.00 0.00 52.86 55.34 3dxh s ASN 62 Cb -0.11 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 37.01 3dxh s ASN 62 CO 0.21 -0.64 -0.07 0.68 -3.04 0.00 0.00 177.10 174.24 3dxh s VAL 63 N 2.21 0.62 0.37 -5.21 -7.23 -0.02 -4.93 120.40 106.21 3dxh s VAL 63 Ca 0.60 -1.68 -0.27 0.00 -1.81 0.00 0.00 61.98 58.81 3dxh s VAL 63 Cb -0.28 -1.36 -0.10 0.00 0.56 0.00 0.00 36.38 35.20 3dxh s VAL 63 CO 0.25 -0.74 1.31 0.00 -0.31 0.00 0.00 175.10 175.61 3dxh s ALA 64 N -3.00 3.38 0.54 1.32 0.00 -1.26 -3.05 121.76 119.69 3dxh s ALA 64 Ca 0.05 1.26 -0.14 0.00 0.00 0.00 0.00 51.96 53.13 3dxh s ALA 64 Cb 0.01 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 3dxh s ALA 64 CO -0.04 -0.76 0.99 0.00 0.00 0.00 0.00 175.76 175.96 3dxh h LYS 66 N 0.51 0.39 -0.08 0.00 1.57 -1.92 -0.14 116.57 116.90 3dxh h LYS 66 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3dxh h LYS 66 Cb 1.19 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3dxh h LYS 66 CO 0.62 0.25 0.00 0.27 -0.57 0.00 0.00 179.45 180.02 3dxh n ASN 67 N -4.47 0.86 0.00 0.86 6.94 -1.26 -4.90 115.26 113.29 3dxh n ASN 67 Ca 0.12 -1.55 0.00 0.00 -0.02 0.00 0.00 54.58 53.13 3dxh n ASN 67 Cb 0.46 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 3dxh n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dxh n GLY 68 N 0.98 1.03 3.73 4.83 0.00 -0.06 -5.06 105.19 110.63 3dxh n GLY 68 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.76 1.76 0.00 1.61 -0.21 -1.26 -4.76 119.66 116.03 3dxh s GLN 69 Ca 0.00 1.33 0.18 0.00 0.02 0.00 0.00 55.36 56.90 3dxh s GLN 69 Cb 0.00 -1.83 0.13 0.00 1.00 0.00 0.00 33.01 32.31 3dxh s GLN 69 CO 0.00 -2.05 1.06 0.25 -2.12 0.00 0.00 175.29 172.44 3dxh n THR 70 N -3.79 0.00 -1.20 -0.19 -2.24 -1.26 -0.82 114.28 104.77 3dxh n THR 70 Ca 0.10 -0.48 -0.29 0.00 -2.27 0.00 0.00 64.05 61.11 3dxh n THR 70 Cb 0.53 1.36 0.11 0.00 -2.10 0.00 0.00 70.33 70.23 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 0.92 6.09 -4.89 3.42 6.94 -1.26 -4.69 115.26 121.79 3dxh n ASN 71 Ca 0.10 -3.63 -0.27 0.00 -0.02 0.00 0.00 54.58 50.77 3dxh n ASN 71 Cb 0.45 -0.92 -0.04 0.00 -2.36 0.00 0.00 39.78 36.90 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 -1.70 -0.04 -0.15 0.00 1.51 0.44 -0.84 117.35 116.58 3dxh s TYR 73 Ca 0.33 0.22 -0.05 0.00 -1.01 0.00 0.00 57.07 56.56 3dxh s TYR 73 Cb -0.11 -0.13 -0.03 0.00 -0.11 0.00 0.00 41.96 41.58 3dxh s TYR 73 CO 0.27 -0.09 0.02 -1.14 -1.11 0.00 0.00 175.55 173.50 3dxh s GLN 74 N 0.81 3.65 0.29 -0.62 0.74 0.70 -1.34 119.66 123.89 3dxh s GLN 74 Ca -0.07 -0.40 -0.29 0.00 0.05 0.00 0.00 55.36 54.65 3dxh s GLN 74 Cb -0.09 -3.03 -0.10 0.00 1.10 0.00 0.00 33.01 30.89 3dxh s GLN 74 CO -0.03 0.38 1.39 -1.54 -0.55 0.00 0.00 175.29 174.94 3dxh s SER 75 N 0.04 6.68 0.27 6.67 1.04 -0.21 -2.31 113.70 125.88 3dxh s SER 75 Ca 0.03 2.69 0.01 0.00 0.48 0.00 0.00 55.95 59.17 3dxh s SER 75 Cb -0.13 -2.64 0.38 0.00 0.10 0.00 0.00 66.02 63.74 3dxh s SER 75 CO 0.02 -0.65 1.72 1.88 0.98 0.00 0.00 173.24 177.19 3dxh h TYR 76 N 4.29 0.61 -2.57 5.02 0.05 -1.96 -3.43 116.97 118.98 3dxh h TYR 76 Ca -0.47 -0.12 -0.54 0.00 0.05 0.00 0.00 58.73 57.64 3dxh h TYR 76 Cb 1.22 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.79 3dxh h TYR 76 CO 0.58 0.72 -0.46 -1.12 -1.05 0.00 0.00 178.16 176.84 3dxh s SER 77 N -6.79 6.34 0.66 3.88 0.01 -1.26 -5.06 113.70 111.48 3dxh s SER 77 Ca -0.07 0.19 -0.15 0.00 1.31 0.00 0.00 55.95 57.22 3dxh s SER 77 Cb 0.14 -1.92 -0.00 0.00 0.21 0.00 0.00 66.02 64.45 3dxh s SER 77 CO 0.80 0.05 1.10 0.42 0.41 0.00 0.00 173.24 176.02 3dxh s THR 78 N -1.75 3.31 0.07 1.44 -4.23 -1.26 -4.54 115.64 108.68 3dxh s THR 78 Ca 0.35 0.60 0.05 0.00 -1.18 0.00 0.00 61.69 61.51 3dxh s THR 78 Cb -0.11 -3.13 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 3dxh s THR 78 CO 0.29 -0.38 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.80 3dxh s MET 79 N -4.12 0.84 -0.11 3.99 -1.94 0.49 -4.86 119.30 113.59 3dxh s MET 79 Ca 0.66 -0.96 -0.29 0.00 -1.71 0.00 0.00 55.69 53.39 3dxh s MET 79 Cb -0.20 -0.86 -0.04 0.00 2.01 0.00 0.00 34.83 35.74 3dxh s MET 79 CO 0.42 0.19 1.49 0.45 -0.01 0.00 0.00 175.02 177.56 3dxh s SER 80 N -1.74 6.76 0.13 3.03 0.15 -1.26 -1.54 113.70 119.23 3dxh s SER 80 Ca -0.01 1.97 0.03 0.00 0.70 0.00 0.00 55.95 58.63 3dxh s SER 80 Cb -0.10 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 3dxh s SER 80 CO 0.02 -0.89 -0.07 0.27 1.20 0.00 0.00 173.24 173.78 3dxh s ILE 81 N 3.92 0.90 -0.09 6.45 -4.36 -0.32 0.16 121.20 127.87 3dxh s ILE 81 Ca 0.66 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 3dxh s ILE 81 Cb -0.28 -1.83 0.02 0.00 1.25 0.00 0.00 42.46 41.62 3dxh s ILE 81 CO 0.24 -0.75 -0.08 -0.89 0.24 0.00 0.00 174.94 173.69 3dxh s THR 82 N -3.50 0.97 -0.05 8.37 2.01 0.27 -1.64 115.64 122.08 3dxh s THR 82 Ca 0.16 -0.31 -0.17 0.00 0.31 0.00 0.00 61.69 61.69 3dxh s THR 82 Cb 0.04 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 3dxh s THR 82 CO -0.01 0.34 0.45 -1.81 -0.69 0.00 0.00 174.62 172.90 3dxh s ASP 83 N 1.30 6.77 -0.17 3.53 1.01 0.27 -0.82 116.67 128.55 3dxh s ASP 83 Ca -0.03 0.92 -0.01 0.00 0.71 0.00 0.00 52.55 54.14 3dxh s ASP 83 Cb -0.14 -2.27 -0.00 0.00 1.01 0.00 0.00 42.92 41.52 3dxh s ASP 83 CO -0.03 0.18 -0.13 0.00 0.21 0.00 0.00 175.17 175.40 3dxh s ARG 85 N 0.97 1.27 0.29 0.00 3.52 -0.85 -1.42 118.95 122.72 3dxh s ARG 85 Ca -0.02 -0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.04 3dxh s ARG 85 Cb -0.15 -1.19 -0.11 0.00 -1.56 0.00 0.00 34.95 31.94 3dxh s ARG 85 CO -0.02 -0.08 1.59 -2.00 -0.81 0.00 0.00 175.30 173.99 3dxh s GLU 86 N 1.00 4.13 0.81 5.12 2.12 -0.08 -0.44 118.70 131.35 3dxh s GLU 86 Ca -0.09 2.57 -0.11 0.00 0.36 0.00 0.00 54.97 57.70 3dxh s GLU 86 Cb -0.15 -3.03 0.07 0.00 0.26 0.00 0.00 34.13 31.29 3dxh s GLU 86 CO -0.00 -0.63 1.09 0.95 -0.54 0.00 0.00 175.26 176.13 3dxh s THR 87 N 0.05 3.12 0.36 -1.70 -4.23 -0.33 -4.81 115.64 108.11 3dxh s THR 87 Ca 0.64 0.37 0.03 0.00 -1.18 0.00 0.00 61.69 61.54 3dxh s THR 87 Cb -0.48 -3.02 0.26 0.00 1.34 0.00 0.00 72.50 70.61 3dxh s THR 87 CO 0.47 -0.48 2.01 1.23 -0.54 0.00 0.00 174.62 177.32 3dxh h GLY 88 N -1.16 0.82 0.20 3.99 0.00 -1.93 -3.03 103.07 101.96 3dxh h GLY 88 Ca -0.47 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.55 3dxh h GLY 88 CO 0.57 0.31 -0.33 -1.14 0.00 0.00 0.00 176.54 175.94 3dxh n SER 89 N -4.44 1.07 -4.70 0.19 3.41 -1.26 -4.93 113.62 102.96 3dxh n SER 89 Ca 0.06 -0.88 -0.42 0.00 -0.26 0.00 0.00 58.87 57.37 3dxh n SER 89 Cb 0.05 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.58 6.41 -0.11 4.04 0.15 -1.15 -5.00 113.70 115.47 3dxh s SER 90 Ca 0.22 2.80 -0.01 0.00 0.70 0.00 0.00 55.95 59.65 3dxh s SER 90 Cb 0.19 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 3dxh s SER 90 CO 0.56 -0.99 -0.03 -0.54 1.20 0.00 0.00 173.24 173.44 3dxh s LYS 91 N 2.19 1.03 0.24 5.44 -0.14 -1.22 -4.91 119.74 122.38 3dxh s LYS 91 Ca 0.79 -0.13 -0.29 0.00 -1.36 0.00 0.00 55.97 54.97 3dxh s LYS 91 Cb -0.47 -1.40 -0.15 0.00 -1.68 0.00 0.00 37.83 34.13 3dxh s LYS 91 CO 0.35 -0.33 0.98 0.98 -0.76 0.00 0.00 175.35 176.56 3dxh n TYR 92 N 5.04 1.01 1.73 3.18 9.36 -1.26 -0.20 117.16 136.02 3dxh n TYR 92 Ca -0.10 0.74 0.11 0.00 3.32 0.00 0.00 57.90 61.98 3dxh n TYR 92 Cb 0.50 -2.21 0.56 0.00 -0.63 0.00 0.00 39.34 37.55 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 1.03 1.27 -2.13 2.98 -0.04 -1.26 -4.96 135.00 131.90 3dxh n PRO 93 Ca 0.12 -0.40 -0.41 0.00 -0.04 0.00 0.00 63.50 62.76 3dxh n PRO 93 Cb 0.29 -1.37 -0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.41 6.16 -4.71 3.54 4.13 0.72 -4.97 115.26 119.72 3dxh n ASN 94 Ca 0.17 -3.07 -0.42 0.00 1.68 0.00 0.00 54.58 52.93 3dxh n ASN 94 Cb 0.17 -1.46 -0.03 0.00 -1.54 0.00 0.00 39.78 36.93 3dxh n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dxh s ALA 96 N 1.54 1.54 0.02 0.00 0.00 -1.26 -4.89 121.76 118.71 3dxh s ALA 96 Ca 0.64 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.79 3dxh s ALA 96 Cb -0.35 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 3dxh s ALA 96 CO 0.29 0.37 -0.06 0.71 0.00 0.00 0.00 175.76 177.08 3dxh s TYR 97 N -0.49 0.49 0.01 0.00 1.51 -1.26 -1.19 117.35 116.42 3dxh s TYR 97 Ca 0.07 -0.28 -0.23 0.00 -1.01 0.00 0.00 57.07 55.62 3dxh s TYR 97 Cb -0.07 -0.31 -0.05 0.00 -0.11 0.00 0.00 41.96 41.42 3dxh s TYR 97 CO -0.00 -0.05 0.68 0.21 -1.11 0.00 0.00 175.55 175.27 3dxh s LYS 98 N -0.81 4.40 -0.25 -0.62 2.20 0.42 -4.60 119.74 120.48 3dxh s LYS 98 Ca -0.04 0.88 -0.08 0.00 -0.36 0.00 0.00 55.97 56.37 3dxh s LYS 98 Cb -0.06 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 3dxh s LYS 98 CO -0.00 0.29 0.10 0.99 -0.36 0.00 0.00 175.35 176.37 3dxh s THR 99 N -0.01 4.59 -0.14 3.43 2.01 -1.26 -2.01 115.64 122.25 3dxh s THR 99 Ca 0.35 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.26 3dxh s THR 99 Cb -0.19 -3.15 0.03 0.00 0.01 0.00 0.00 72.50 69.21 3dxh s THR 99 CO 0.20 0.33 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.51 3dxh s THR 100 N 1.51 1.00 0.11 -0.82 2.01 -0.40 -4.97 115.64 114.09 3dxh s THR 100 Ca 0.06 -0.43 -0.20 0.00 0.31 0.00 0.00 61.69 61.43 3dxh s THR 100 Cb -0.15 -1.12 -0.07 0.00 0.01 0.00 0.00 72.50 71.17 3dxh s THR 100 CO 0.05 0.23 0.62 -1.58 -0.69 0.00 0.00 174.62 173.25 3dxh s GLN 101 N 1.70 4.27 0.19 4.92 2.00 -1.26 -0.57 119.66 130.91 3dxh s GLN 101 Ca 0.03 0.83 -0.15 0.00 -2.00 0.00 0.00 55.36 54.06 3dxh s GLN 101 Cb -0.14 -3.20 0.02 0.00 0.80 0.00 0.00 33.01 30.49 3dxh s GLN 101 CO -0.08 0.60 0.46 0.00 -0.50 0.00 0.00 175.29 175.77 3dxh s ALA 102 N -1.17 -0.71 -0.26 1.58 0.00 -0.65 -4.98 121.76 115.57 3dxh s ALA 102 Ca 0.32 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.92 3dxh s ALA 102 Cb -0.20 0.85 0.06 0.00 0.00 0.00 0.00 23.12 23.83 3dxh s ALA 102 CO 0.21 -0.76 -0.09 -0.80 0.00 0.00 0.00 175.76 174.32 3dxh s ASN 103 N -2.89 4.34 0.11 0.00 0.01 -1.26 -1.17 114.94 114.07 3dxh s ASN 103 Ca 0.11 -1.40 -0.04 0.00 -0.71 0.00 0.00 52.86 50.82 3dxh s ASN 103 Cb 0.00 -1.47 -0.02 0.00 0.41 0.00 0.00 41.25 40.17 3dxh s ASN 103 CO -0.02 -0.21 0.11 -0.54 -1.51 0.00 0.00 177.10 174.93 3dxh s LYS 104 N 1.15 0.87 0.12 -0.60 1.02 -0.59 -4.78 119.74 116.93 3dxh s LYS 104 Ca -0.07 -1.21 -0.30 0.00 0.02 0.00 0.00 55.97 54.40 3dxh s LYS 104 Cb -0.20 0.29 -0.06 0.00 -0.52 0.00 0.00 37.83 37.34 3dxh s LYS 104 CO -0.06 -0.26 1.08 -1.01 -0.92 0.00 0.00 175.35 174.19 3dxh s HIS 105 N -3.95 3.61 0.14 3.18 3.76 -0.33 -0.38 115.29 121.32 3dxh s HIS 105 Ca 0.14 1.58 -0.02 0.00 -0.15 0.00 0.00 55.06 56.61 3dxh s HIS 105 Cb 0.06 -3.25 -0.05 0.00 1.11 0.00 0.00 32.58 30.46 3dxh s HIS 105 CO -0.05 -0.53 0.33 0.96 -0.85 0.00 0.00 174.74 174.60 3dxh s ILE 106 N 0.26 5.25 -0.16 0.60 -4.36 -1.26 -0.86 121.20 120.66 3dxh s ILE 106 Ca 0.51 -0.25 0.01 0.00 -0.26 0.00 0.00 60.65 60.66 3dxh s ILE 106 Cb -0.27 -3.67 0.02 0.00 1.25 0.00 0.00 42.46 39.79 3dxh s ILE 106 CO 0.32 -0.01 -0.15 -0.63 0.24 0.00 0.00 174.94 174.71 3dxh s ILE 107 N -1.69 1.69 0.14 8.37 1.01 0.37 -1.04 121.20 130.05 3dxh s ILE 107 Ca 0.38 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 60.38 3dxh s ILE 107 Cb -0.12 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3dxh s ILE 107 CO 0.27 0.44 -0.22 0.68 0.00 0.00 0.00 174.94 176.12 3dxh s VAL 108 N 1.43 1.94 -0.03 2.92 -7.23 -0.45 -0.56 120.40 118.43 3dxh s VAL 108 Ca 0.04 -1.77 -0.14 0.00 -1.81 0.00 0.00 61.98 58.30 3dxh s VAL 108 Cb -0.13 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 3dxh s VAL 108 CO -0.11 -0.12 0.37 0.00 -0.31 0.00 0.00 175.10 174.93 3dxh s ALA 109 N -1.50 3.71 0.05 1.32 0.00 0.06 -0.42 121.76 124.98 3dxh s ALA 109 Ca 0.13 -0.29 0.09 0.00 0.00 0.00 0.00 51.96 51.89 3dxh s ALA 109 Cb -0.08 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 3dxh s ALA 109 CO 0.06 0.46 -0.24 0.00 0.00 0.00 0.00 175.76 176.04 3dxh s GLU 111 N -1.36 0.98 0.00 0.00 2.02 -0.64 -4.88 118.70 114.81 3dxh s GLU 111 Ca 0.13 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.25 3dxh s GLU 111 Cb -0.10 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.53 3dxh s GLU 111 CO 0.03 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.37 3dxh n GLY 112 N -0.15 0.71 2.88 -1.39 0.00 -1.26 -2.10 105.19 103.88 3dxh n GLY 112 Ca -0.15 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.31 3.93 0.68 1.61 2.47 -1.26 -2.34 114.94 119.71 3dxh s ASN 113 Ca 0.00 -1.39 -0.15 0.00 0.42 0.00 0.00 52.86 51.74 3dxh s ASN 113 Cb 0.00 -1.11 0.01 0.00 -1.45 0.00 0.00 41.25 38.69 3dxh s ASN 113 CO 0.00 -0.31 1.12 -2.16 -3.72 0.00 0.00 177.10 172.03 3dxh s PRO 114 N 1.42 2.68 -0.59 0.43 0.04 -1.26 -5.11 135.00 132.61 3dxh s PRO 114 Ca 0.01 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.20 3dxh s PRO 114 Cb -0.18 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.46 3dxh s PRO 114 CO -0.11 -1.35 1.09 -0.47 0.04 0.00 0.00 177.00 176.21 3dxh s TYR 115 N -2.34 2.64 0.14 0.56 5.04 -0.99 -4.86 117.35 117.54 3dxh s TYR 115 Ca 0.67 0.14 0.02 0.00 -2.44 0.00 0.00 57.07 55.46 3dxh s TYR 115 Cb -0.21 -4.35 -0.04 0.00 0.35 0.00 0.00 41.96 37.71 3dxh s TYR 115 CO 0.43 -1.56 -0.03 0.14 -1.34 0.00 0.00 175.55 173.19 3dxh s VAL 116 N 4.61 0.66 0.24 3.14 -7.23 -0.89 -4.86 120.40 116.06 3dxh s VAL 116 Ca 0.36 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 3dxh s VAL 116 Cb -0.10 -1.92 -0.10 0.00 0.56 0.00 0.00 36.38 34.82 3dxh s VAL 116 CO 0.21 -0.65 1.47 -2.84 -0.31 0.00 0.00 175.10 172.98 3dxh s PRO 117 N -3.89 4.25 0.00 4.82 0.02 -1.26 -1.63 135.00 137.32 3dxh s PRO 117 Ca 0.19 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3dxh s PRO 117 Cb 0.06 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.46 3dxh s PRO 117 CO -0.00 -0.46 0.09 1.33 -0.33 0.00 0.00 177.00 177.63 3dxh n VAL 118 N 2.60 0.00 -3.68 3.83 0.24 0.28 -4.43 118.33 117.17 3dxh n VAL 118 Ca 0.08 -0.33 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 3dxh n VAL 118 Cb 0.40 1.09 -0.09 0.00 -1.47 0.00 0.00 33.84 33.77 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 -0.48 -0.66 -0.30 6.34 5.65 -1.15 -4.67 115.29 120.03 3dxh s HIS 119 Ca 0.00 1.53 -0.17 0.00 0.25 0.00 0.00 55.06 56.67 3dxh s HIS 119 Cb 0.00 0.26 -0.02 0.00 -1.18 0.00 0.00 32.58 31.64 3dxh s HIS 119 CO 0.00 -0.32 0.45 0.12 -0.65 0.00 0.00 174.74 174.34 3dxh s PHE 120 N 0.58 3.23 -0.21 3.88 5.36 -1.26 -0.76 117.98 128.80 3dxh s PHE 120 Ca -0.02 0.37 -0.10 0.00 -0.96 0.00 0.00 56.93 56.21 3dxh s PHE 120 Cb -0.05 -2.73 -0.19 0.00 -0.34 0.00 0.00 43.02 39.72 3dxh s PHE 120 CO -0.03 -0.35 0.04 -3.47 -1.46 0.00 0.00 175.22 169.94 3dxh n ASP 121 N 5.52 1.99 -3.66 6.13 2.03 0.28 -4.95 116.55 123.89 3dxh n ASP 121 Ca -0.06 0.21 -0.01 0.00 0.52 0.00 0.00 54.79 55.45 3dxh n ASP 121 Cb 0.50 -0.78 -0.01 0.00 -0.72 0.00 0.00 41.12 40.11 3dxh n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dxh s ALA 122 N -2.49 -2.02 0.07 -1.67 0.00 -1.04 -4.94 121.76 109.67 3dxh s ALA 122 Ca -0.30 0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.31 3dxh s ALA 122 Cb 0.09 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 3dxh s ALA 122 CO 0.63 -1.00 -0.15 -1.54 0.00 0.00 0.00 175.76 173.70 3dxh s SER 123 N -2.88 1.76 0.00 0.00 1.04 -1.26 -0.47 113.70 111.88 3dxh s SER 123 Ca 0.13 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3dxh s SER 123 Cb 0.02 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3dxh s SER 123 CO -0.02 -0.04 0.00 1.33 0.98 0.00 0.00 173.24 175.49