#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxg s GLU 2 N 0.00 4.32 0.68 -1.58 2.12 -1.26 -5.02 118.70 117.96 3dxg s GLU 2 Ca 0.00 1.71 -0.13 0.00 0.36 0.00 0.00 54.97 56.91 3dxg s GLU 2 Cb 0.00 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.80 3dxg s GLU 2 CO 0.00 -0.50 1.08 0.95 -0.54 0.00 0.00 175.26 176.24 3dxg s THR 3 N 2.43 3.63 0.28 -1.70 -4.23 -1.26 -4.84 115.64 109.95 3dxg s THR 3 Ca 0.57 0.64 0.01 0.00 -1.18 0.00 0.00 61.69 61.73 3dxg s THR 3 Cb -0.25 -3.21 0.28 0.00 1.34 0.00 0.00 72.50 70.65 3dxg s THR 3 CO 0.22 -0.58 1.83 0.00 -0.54 0.00 0.00 174.62 175.54 3dxg h ALA 4 N -0.34 1.49 -0.39 3.99 0.00 -1.95 0.74 119.26 122.80 3dxg h ALA 4 Ca -0.45 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3dxg h ALA 4 Cb 1.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3dxg h ALA 4 CO 0.55 0.21 0.23 0.00 0.00 0.00 0.00 179.25 180.23 3dxg h ALA 5 N 1.54 0.50 -0.49 0.00 0.00 -1.91 -1.39 119.26 117.51 3dxg h ALA 5 Ca 0.49 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 3dxg h ALA 5 Cb 0.50 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3dxg h ALA 5 CO -0.27 0.01 -0.09 0.00 0.00 0.00 0.00 179.25 178.90 3dxg h ALA 6 N 1.09 0.93 -0.91 0.00 0.00 -1.70 -2.00 119.26 116.67 3dxg h ALA 6 Ca 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3dxg h ALA 6 Cb 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3dxg h ALA 6 CO -0.02 0.63 0.51 -0.22 0.00 0.00 0.00 179.25 180.14 3dxg h LYS 7 N 0.79 1.27 -0.54 0.00 3.64 -0.71 -0.25 116.57 120.77 3dxg h LYS 7 Ca 0.13 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3dxg h LYS 7 Cb 0.60 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3dxg h LYS 7 CO 0.04 0.92 0.30 0.35 -2.27 0.00 0.00 179.45 178.79 3dxg h PHE 8 N 1.27 0.74 -0.52 1.91 3.04 -0.91 -0.25 116.94 122.22 3dxg h PHE 8 Ca 0.32 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.26 3dxg h PHE 8 Cb 0.02 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.26 3dxg h PHE 8 CO 0.01 0.54 0.34 0.93 -2.02 0.00 0.00 178.31 178.10 3dxg h GLU 9 N 0.73 0.69 -0.32 1.11 5.08 -0.86 0.18 114.58 121.17 3dxg h GLU 9 Ca 0.19 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3dxg h GLU 9 Cb 0.03 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3dxg h GLU 9 CO -0.03 0.46 0.18 -0.09 -1.00 0.00 0.00 179.01 178.53 3dxg h ARG 10 N 0.70 0.45 0.00 2.33 2.43 -0.77 -1.42 114.38 118.10 3dxg h ARG 10 Ca 0.19 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 3dxg h ARG 10 Cb -0.07 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3dxg h ARG 10 CO -0.04 0.37 -0.70 1.96 -1.51 0.00 0.00 179.97 180.05 3dxg h GLN 11 N 0.41 0.00 0.00 0.20 4.20 -0.88 -3.41 115.11 115.63 3dxg h GLN 11 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3dxg h GLN 11 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3dxg h GLN 11 CO -0.02 0.53 0.00 0.72 -0.67 0.00 0.00 178.83 179.39 3dxg n HIS 12 N -3.19 0.00 -3.77 2.96 8.25 0.60 -4.69 115.22 115.39 3dxg n HIS 12 Ca -0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 3dxg n HIS 12 Cb 0.78 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.80 3dxg n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3dxg s MET 13 N -0.35 4.15 -0.43 -0.41 -1.94 -0.54 -0.10 119.30 119.68 3dxg s MET 13 Ca 0.00 -0.23 0.05 0.00 -1.71 0.00 0.00 55.69 53.80 3dxg s MET 13 Cb 0.00 -3.39 0.19 0.00 2.01 0.00 0.00 34.83 33.64 3dxg s MET 13 CO 0.00 0.30 0.47 -3.47 -0.01 0.00 0.00 175.02 172.32 3dxg n ASP 14 N 3.50 -1.03 0.28 3.03 2.03 -0.25 -4.83 116.55 119.27 3dxg n ASP 14 Ca -0.16 -2.58 0.18 0.00 0.52 0.00 0.00 54.79 52.75 3dxg n ASP 14 Cb 0.52 -0.03 0.72 0.00 -0.72 0.00 0.00 41.12 41.61 3dxg n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3dxg h SER 15 N 5.13 0.00 -0.02 1.67 0.02 -1.75 -3.35 113.55 115.25 3dxg h SER 15 Ca 0.17 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3dxg h SER 15 Cb 0.95 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 3dxg h SER 15 CO 0.32 0.00 0.01 0.28 -1.14 0.00 0.00 176.83 176.30 3dxg h SER 16 N 0.00 0.05 -3.13 3.07 0.02 -1.92 -3.44 113.55 108.20 3dxg h SER 16 Ca 0.00 -0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.30 3dxg h SER 16 Cb 0.47 -0.01 -0.17 0.00 0.14 0.00 0.00 62.40 62.83 3dxg h SER 16 CO 0.00 0.05 -0.78 0.28 -1.14 0.00 0.00 176.83 175.24 3dxg s THR 17 N -5.07 2.68 0.05 -2.27 -1.32 -1.26 -5.03 115.64 103.43 3dxg s THR 17 Ca -0.05 -1.88 0.12 0.00 -1.21 0.00 0.00 61.69 58.67 3dxg s THR 17 Cb 0.17 -2.30 -0.04 0.00 -1.51 0.00 0.00 72.50 68.82 3dxg s THR 17 CO 0.68 -0.11 1.45 0.28 -2.21 0.00 0.00 174.62 174.71 3dxg h SER 18 N 3.10 0.00 0.00 8.08 0.02 -1.89 -3.44 113.55 119.42 3dxg h SER 18 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3dxg h SER 18 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3dxg h SER 18 CO 0.50 0.68 0.00 0.00 -1.14 0.00 0.00 176.83 176.87 3dxg n ALA 19 N -2.31 0.00 0.00 3.77 0.00 -1.26 -4.83 120.51 115.88 3dxg n ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dxg n ALA 19 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 3dxg n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxg n ALA 20 N -0.99 0.00 -1.75 0.00 0.00 -1.26 -4.75 120.51 111.76 3dxg n ALA 20 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3dxg n ALA 20 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3dxg n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dxg n SER 21 N 0.00 -1.80 -4.38 0.00 7.64 -1.26 -4.86 113.62 108.95 3dxg n SER 21 Ca 0.00 -0.03 -0.32 0.00 1.01 0.00 0.00 58.87 59.53 3dxg n SER 21 Cb 0.00 -0.51 0.17 0.00 -1.01 0.00 0.00 64.21 62.85 3dxg n SER 21 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3dxg n SER 22 N 0.73 -1.99 0.31 6.43 3.41 -1.26 -4.74 113.62 116.51 3dxg n SER 22 Ca -0.03 0.07 0.19 0.00 -0.26 0.00 0.00 58.87 58.85 3dxg n SER 22 Cb 0.21 -1.12 1.03 0.00 -0.26 0.00 0.00 64.21 64.07 3dxg n SER 22 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3dxg h SER 23 N -1.96 0.00 0.38 4.04 4.64 -1.93 0.48 113.55 119.19 3dxg h SER 23 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3dxg h SER 23 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3dxg h SER 23 CO 0.38 0.00 -0.15 0.59 -0.87 0.00 0.00 176.83 176.78 3dxg n ASN 24 N -3.33 0.55 -0.07 4.97 3.02 -1.26 -4.45 115.26 114.69 3dxg n ASN 24 Ca -0.02 -0.56 -0.07 0.00 -0.03 0.00 0.00 54.58 53.90 3dxg n ASN 24 Cb 0.17 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 3dxg n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3dxg h TYR 25 N 0.63 -0.33 -0.48 3.10 3.20 -1.19 -2.73 116.97 119.17 3dxg h TYR 25 Ca 0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 3dxg h TYR 25 Cb 0.40 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 3dxg h TYR 25 CO 0.00 -0.21 -0.06 0.00 -1.64 0.00 0.00 178.16 176.26 3dxg h ASN 27 N 0.74 0.15 -0.03 0.00 2.35 -1.75 -0.35 115.58 116.69 3dxg h ASN 27 Ca 0.13 0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.94 3dxg h ASN 27 Cb 0.59 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.06 3dxg h ASN 27 CO 0.04 0.08 -0.13 1.56 -1.65 0.00 0.00 177.43 177.33 3dxg h GLN 28 N 0.36 0.14 -0.45 0.81 4.20 -1.27 -3.26 115.11 115.64 3dxg h GLN 28 Ca 0.33 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.81 3dxg h GLN 28 Cb 0.46 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3dxg h GLN 28 CO -0.36 0.76 -0.19 0.52 -0.67 0.00 0.00 178.83 178.90 3dxg h MET 29 N -0.45 0.88 -0.58 1.46 2.86 -0.58 -2.29 114.93 116.24 3dxg h MET 29 Ca -0.01 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.22 3dxg h MET 29 Cb 0.78 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 3dxg h MET 29 CO 0.03 0.99 0.11 0.52 1.06 0.00 0.00 176.91 179.62 3dxg h MET 30 N 0.77 0.93 0.46 1.72 2.86 -1.21 -1.95 114.93 118.51 3dxg h MET 30 Ca 0.11 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 3dxg h MET 30 Cb 0.72 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.26 3dxg h MET 30 CO 0.06 0.85 -0.22 -0.22 1.06 0.00 0.00 176.91 178.43 3dxg h LYS 31 N 0.88 -0.59 -0.20 1.72 3.64 -1.54 0.12 116.57 120.58 3dxg h LYS 31 Ca 0.18 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 3dxg h LYS 31 Cb 0.37 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3dxg h LYS 31 CO 0.01 -0.31 -0.26 0.66 -2.27 0.00 0.00 179.45 177.28 3dxg h SER 32 N -0.82 0.38 -0.01 4.20 4.64 -1.36 -1.14 113.55 119.44 3dxg h SER 32 Ca -0.06 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3dxg h SER 32 Cb 0.56 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3dxg h SER 32 CO 0.10 0.64 0.00 0.54 -0.87 0.00 0.00 176.83 177.24 3dxg n ARG 33 N -4.13 1.03 -2.81 4.77 5.12 -0.74 -4.86 116.66 115.04 3dxg n ARG 33 Ca -0.01 -0.04 -0.18 0.00 -1.93 0.00 0.00 57.85 55.69 3dxg n ARG 33 Cb 0.39 -1.03 0.02 0.00 -1.16 0.00 0.00 32.46 30.69 3dxg n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3dxg n ASN 34 N -0.45 -5.30 -0.85 0.55 3.02 -0.43 -4.80 115.26 107.00 3dxg n ASN 34 Ca 0.00 -0.21 0.12 0.00 -0.03 0.00 0.00 54.58 54.47 3dxg n ASN 34 Cb 0.02 -4.17 0.23 0.00 -0.61 0.00 0.00 39.78 35.25 3dxg n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dxg n LEU 35 N -3.24 2.64 -0.00 3.41 4.77 -0.00 -4.05 117.00 120.53 3dxg n LEU 35 Ca -0.11 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 3dxg n LEU 35 Cb 0.61 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3dxg n LEU 35 CO 0.37 0.47 0.17 0.35 -1.33 0.00 0.00 177.39 177.42 3dxg n THR 36 N 1.04 0.00 -0.03 -5.08 -2.24 -1.03 -2.10 114.28 104.84 3dxg n THR 36 Ca 0.16 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 3dxg n THR 36 Cb 0.53 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 3dxg n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3dxg h LYS 37 N 0.01 0.11 0.00 -0.78 3.64 -1.85 -3.31 116.57 114.39 3dxg h LYS 37 Ca 0.00 -0.01 -0.37 0.00 -1.27 0.00 0.00 60.65 59.00 3dxg h LYS 37 Cb 0.00 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 3dxg h LYS 37 CO 0.00 0.07 -2.39 -0.25 -2.27 0.00 0.00 179.45 174.61 3dxg n ASP 38 N -5.08 0.50 -3.71 4.20 8.00 -1.26 -5.02 116.55 114.18 3dxg n ASP 38 Ca -0.03 -0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.34 3dxg n ASP 38 Cb 0.08 0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 41.83 3dxg n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dxg s ARG 39 N -2.49 1.74 -0.49 -1.24 1.70 -1.25 -5.11 118.95 111.82 3dxg s ARG 39 Ca -0.15 -1.31 -0.26 0.00 -0.47 0.00 0.00 55.73 53.54 3dxg s ARG 39 Cb 0.07 0.51 0.03 0.00 -0.57 0.00 0.00 34.95 34.99 3dxg s ARG 39 CO 0.77 -0.75 0.98 0.00 -1.08 0.00 0.00 175.30 175.22 3dxg n LYS 41 N 7.44 2.42 -0.02 0.00 4.81 -0.89 -4.91 118.16 127.01 3dxg n LYS 41 Ca 0.06 0.88 -0.11 0.00 -0.87 0.00 0.00 58.31 58.27 3dxg n LYS 41 Cb 0.48 -2.73 -0.06 0.00 0.02 0.00 0.00 35.03 32.75 3dxg n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3dxg h PRO 42 N 8.34 0.18 -4.12 1.64 0.11 -1.94 -3.43 132.00 132.78 3dxg h PRO 42 Ca -0.47 -0.03 -0.35 0.00 0.11 0.00 0.00 66.00 65.26 3dxg h PRO 42 Cb 1.25 -0.03 -0.31 0.00 0.11 0.00 0.00 31.00 32.02 3dxg h PRO 42 CO 0.93 0.25 -0.76 0.08 -0.21 0.00 0.00 178.00 178.29 3dxg s VAL 43 N -5.66 0.40 -0.22 3.15 1.01 -1.26 -0.99 120.40 116.82 3dxg s VAL 43 Ca -0.14 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 3dxg s VAL 43 Cb 0.06 -0.39 0.06 0.00 0.00 0.00 0.00 36.38 36.12 3dxg s VAL 43 CO 0.69 0.15 0.58 0.21 0.00 0.00 0.00 175.10 176.73 3dxg s ASN 44 N 0.36 -0.65 -0.09 3.32 2.47 -0.42 -5.01 114.94 114.92 3dxg s ASN 44 Ca -0.04 1.19 0.01 0.00 0.42 0.00 0.00 52.86 54.44 3dxg s ASN 44 Cb -0.08 1.17 -0.02 0.00 -1.45 0.00 0.00 41.25 40.87 3dxg s ASN 44 CO -0.00 -0.21 -0.13 -0.89 -3.72 0.00 0.00 177.10 172.15 3dxg s THR 45 N 0.63 3.14 -0.09 -5.21 2.01 -1.26 -0.81 115.64 114.05 3dxg s THR 45 Ca -0.03 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 3dxg s THR 45 Cb -0.05 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 3dxg s THR 45 CO -0.04 0.56 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.05 3dxg s PHE 46 N -0.20 3.03 -0.20 4.92 0.08 -0.02 -4.36 117.98 121.23 3dxg s PHE 46 Ca 0.01 0.01 -0.06 0.00 0.12 0.00 0.00 56.93 57.01 3dxg s PHE 46 Cb -0.13 -1.79 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 3dxg s PHE 46 CO 0.03 0.30 0.02 0.08 -0.10 0.00 0.00 175.22 175.55 3dxg s VAL 47 N -0.58 4.15 -1.04 -0.44 1.01 0.85 -0.56 120.40 123.80 3dxg s VAL 47 Ca 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 3dxg s VAL 47 Cb -0.12 -2.88 0.31 0.00 0.00 0.00 0.00 36.38 33.69 3dxg s VAL 47 CO 0.02 0.43 1.50 1.41 0.00 0.00 0.00 175.10 178.46 3dxg n HIS 48 N 4.12 2.44 -4.08 5.22 -0.00 0.84 -1.09 115.22 122.66 3dxg n HIS 48 Ca -0.17 -2.68 -0.10 0.00 -0.00 0.00 0.00 57.72 54.77 3dxg n HIS 48 Cb 0.52 -1.19 -0.09 0.00 -0.00 0.00 0.00 29.99 29.24 3dxg n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3dxg s GLU 49 N -3.10 1.04 0.67 -0.41 0.41 -1.26 -4.39 118.70 111.67 3dxg s GLU 49 Ca 0.33 -1.35 -0.17 0.00 -0.41 0.00 0.00 54.97 53.38 3dxg s GLU 49 Cb 0.09 0.30 0.01 0.00 -1.78 0.00 0.00 34.13 32.74 3dxg s GLU 49 CO 0.05 -0.34 1.24 -1.54 -0.49 0.00 0.00 175.26 174.18 3dxg s SER 50 N -3.03 4.55 0.20 -0.19 1.04 -1.26 -4.30 113.70 110.71 3dxg s SER 50 Ca 0.22 2.45 -0.10 0.00 0.48 0.00 0.00 55.95 59.00 3dxg s SER 50 Cb 0.06 -2.60 0.22 0.00 0.10 0.00 0.00 66.02 63.80 3dxg s SER 50 CO 0.02 -2.03 1.78 0.25 0.98 0.00 0.00 173.24 174.24 3dxg h LEU 51 N 0.24 0.39 -1.22 2.42 5.85 -1.99 -2.08 115.31 118.93 3dxg h LEU 51 Ca -0.49 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.29 3dxg h LEU 51 Cb 1.31 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 3dxg h LEU 51 CO 0.52 0.25 0.53 0.00 -0.34 0.00 0.00 178.44 179.41 3dxg h ALA 52 N 1.35 1.45 -0.37 1.25 0.00 -1.98 0.15 119.26 121.10 3dxg h ALA 52 Ca 0.28 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3dxg h ALA 52 Cb 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3dxg h ALA 52 CO -0.21 0.50 -0.23 -0.44 0.00 0.00 0.00 179.25 178.87 3dxg h ASP 53 N 1.07 0.74 0.08 0.00 3.32 -1.77 -0.26 116.42 119.61 3dxg h ASP 53 Ca 0.30 -0.26 -0.27 0.00 0.02 0.00 0.00 57.03 56.82 3dxg h ASP 53 Cb -0.09 -0.20 0.02 0.00 0.22 0.00 0.00 39.33 39.28 3dxg h ASP 53 CO -0.07 0.95 -1.07 0.58 -1.72 0.00 0.00 179.24 177.91 3dxg h VAL 54 N 0.64 1.30 -0.76 -1.35 2.07 -0.84 -3.14 116.25 114.17 3dxg h VAL 54 Ca 0.09 -2.32 0.02 0.00 0.82 0.00 0.00 66.70 65.30 3dxg h VAL 54 Cb 0.72 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.90 3dxg h VAL 54 CO 0.06 0.71 0.50 1.56 0.02 0.00 0.00 177.57 180.42 3dxg h GLN 55 N 0.35 0.97 -0.11 1.57 4.20 -0.61 -1.76 115.11 119.73 3dxg h GLN 55 Ca -0.13 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.55 3dxg h GLN 55 Cb 1.73 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 29.28 3dxg h GLN 55 CO 0.21 0.64 0.11 0.00 -0.67 0.00 0.00 178.83 179.12 3dxg h ALA 56 N 1.54 1.79 -0.10 3.87 0.00 -0.99 -2.20 119.26 123.16 3dxg h ALA 56 Ca 0.29 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3dxg h ALA 56 Cb -0.07 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3dxg h ALA 56 CO -0.07 -0.16 0.09 0.28 0.00 0.00 0.00 179.25 179.38 3dxg h VAL 57 N 0.00 0.69 0.00 0.00 2.07 -1.34 -0.62 116.25 117.05 3dxg h VAL 57 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3dxg h VAL 57 Cb 0.27 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3dxg h VAL 57 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3dxg n SER 59 N -1.50 2.66 0.00 0.00 3.41 -0.24 -5.01 113.62 112.95 3dxg n SER 59 Ca 0.01 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 3dxg n SER 59 Cb 0.06 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 3dxg n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dxg n GLN 60 N -0.42 2.66 -2.65 4.33 6.02 -0.11 -5.00 117.38 122.21 3dxg n GLN 60 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 3dxg n GLN 60 Cb 0.49 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.73 3dxg n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3dxg s LYS 61 N 4.33 3.94 -0.05 -1.09 2.20 -0.92 -4.85 119.74 123.31 3dxg s LYS 61 Ca 0.00 0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 3dxg s LYS 61 Cb 0.00 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 3dxg s LYS 61 CO 0.00 -1.04 1.22 1.21 -0.36 0.00 0.00 175.35 176.39 3dxg s ASN 62 N 1.90 7.03 0.09 1.43 3.04 -1.26 -0.13 114.94 127.04 3dxg s ASN 62 Ca 0.45 1.85 0.02 0.00 0.04 0.00 0.00 52.86 55.23 3dxg s ASN 62 Cb -0.11 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 37.01 3dxg s ASN 62 CO 0.20 -0.60 -0.08 0.68 -3.04 0.00 0.00 177.10 174.26 3dxg s VAL 63 N 2.23 0.76 0.35 -5.21 -7.23 0.02 -4.93 120.40 106.38 3dxg s VAL 63 Ca 0.57 -1.75 -0.28 0.00 -1.81 0.00 0.00 61.98 58.71 3dxg s VAL 63 Cb -0.25 -1.46 -0.10 0.00 0.56 0.00 0.00 36.38 35.13 3dxg s VAL 63 CO 0.22 -0.72 1.34 0.00 -0.31 0.00 0.00 175.10 175.64 3dxg s ALA 64 N -2.99 3.49 0.58 1.32 0.00 -1.26 -2.95 121.76 119.95 3dxg s ALA 64 Ca 0.07 1.32 -0.14 0.00 0.00 0.00 0.00 51.96 53.21 3dxg s ALA 64 Cb 0.01 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 3dxg s ALA 64 CO -0.02 -0.73 1.01 0.00 0.00 0.00 0.00 175.76 176.02 3dxg h LYS 66 N 0.24 0.48 -0.11 0.00 1.57 -1.92 0.46 116.57 117.29 3dxg h LYS 66 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3dxg h LYS 66 Cb 1.19 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3dxg h LYS 66 CO 0.61 0.32 0.00 0.27 -0.57 0.00 0.00 179.45 180.08 3dxg n ASN 67 N -4.52 1.23 0.00 0.86 0.23 -1.26 -4.90 115.26 106.90 3dxg n ASN 67 Ca 0.17 -1.60 0.00 0.00 -0.53 0.00 0.00 54.58 52.61 3dxg n ASN 67 Cb 0.56 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 3dxg n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dxg n GLY 68 N 1.05 0.40 3.70 4.83 0.00 0.15 -5.06 105.19 110.26 3dxg n GLY 68 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3dxg n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dxg s GLN 69 N -0.87 1.48 0.00 1.61 -0.21 -1.26 -4.75 119.66 115.67 3dxg s GLN 69 Ca 0.00 1.52 0.18 0.00 0.02 0.00 0.00 55.36 57.09 3dxg s GLN 69 Cb 0.00 -1.78 0.16 0.00 1.00 0.00 0.00 33.01 32.39 3dxg s GLN 69 CO 0.00 -2.28 1.10 0.25 -2.12 0.00 0.00 175.29 172.24 3dxg n THR 70 N -3.79 0.05 -1.18 -0.19 -2.24 -1.26 -0.73 114.28 104.94 3dxg n THR 70 Ca 0.12 -0.52 -0.28 0.00 -2.27 0.00 0.00 64.05 61.09 3dxg n THR 70 Cb 0.52 1.34 0.11 0.00 -2.10 0.00 0.00 70.33 70.19 3dxg n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3dxg n ASN 71 N 1.04 6.12 -4.86 3.42 6.94 -1.26 -4.70 115.26 121.96 3dxg n ASN 71 Ca 0.11 -3.60 -0.28 0.00 -0.02 0.00 0.00 54.58 50.79 3dxg n ASN 71 Cb 0.46 -0.93 -0.05 0.00 -2.36 0.00 0.00 39.78 36.91 3dxg n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dxg s TYR 73 N -1.63 0.02 -0.17 0.00 1.51 0.44 -0.80 117.35 116.72 3dxg s TYR 73 Ca 0.32 0.12 -0.07 0.00 -1.01 0.00 0.00 57.07 56.44 3dxg s TYR 73 Cb -0.11 -0.22 -0.04 0.00 -0.11 0.00 0.00 41.96 41.48 3dxg s TYR 73 CO 0.26 -0.08 0.07 -1.14 -1.11 0.00 0.00 175.55 173.55 3dxg s GLN 74 N 0.98 3.87 0.28 -0.62 0.74 0.82 -1.46 119.66 124.27 3dxg s GLN 74 Ca -0.08 -0.31 -0.30 0.00 0.05 0.00 0.00 55.36 54.72 3dxg s GLN 74 Cb -0.12 -3.20 -0.11 0.00 1.10 0.00 0.00 33.01 30.69 3dxg s GLN 74 CO -0.03 0.37 1.47 -1.54 -0.55 0.00 0.00 175.29 175.01 3dxg s SER 75 N 0.11 6.56 0.30 6.67 1.04 -0.30 -2.16 113.70 125.92 3dxg s SER 75 Ca 0.06 2.78 0.03 0.00 0.48 0.00 0.00 55.95 59.30 3dxg s SER 75 Cb -0.12 -2.63 0.47 0.00 0.10 0.00 0.00 66.02 63.84 3dxg s SER 75 CO 0.00 -0.76 1.77 1.88 0.98 0.00 0.00 173.24 177.11 3dxg h TYR 76 N 4.65 0.53 -2.57 5.02 0.05 -1.95 -3.43 116.97 119.26 3dxg h TYR 76 Ca -0.47 -0.09 -0.54 0.00 0.05 0.00 0.00 58.73 57.67 3dxg h TYR 76 Cb 1.22 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.79 3dxg h TYR 76 CO 0.59 0.64 -0.50 -1.12 -1.05 0.00 0.00 178.16 176.72 3dxg s SER 77 N -6.79 6.05 0.65 3.88 0.01 -1.26 -5.08 113.70 111.16 3dxg s SER 77 Ca -0.07 0.06 -0.15 0.00 1.31 0.00 0.00 55.95 57.10 3dxg s SER 77 Cb 0.14 -1.74 -0.01 0.00 0.21 0.00 0.00 66.02 64.62 3dxg s SER 77 CO 0.78 0.05 1.10 0.42 0.41 0.00 0.00 173.24 176.00 3dxg s THR 78 N -1.77 3.37 0.07 1.44 -4.23 -1.26 -4.53 115.64 108.72 3dxg s THR 78 Ca 0.33 0.64 0.05 0.00 -1.18 0.00 0.00 61.69 61.53 3dxg s THR 78 Cb -0.10 -3.16 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 3dxg s THR 78 CO 0.27 -0.39 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.78 3dxg s MET 79 N -4.10 0.78 -0.09 3.99 -1.94 0.89 -4.86 119.30 113.97 3dxg s MET 79 Ca 0.66 -0.92 -0.30 0.00 -1.71 0.00 0.00 55.69 53.42 3dxg s MET 79 Cb -0.20 -0.76 -0.04 0.00 2.01 0.00 0.00 34.83 35.84 3dxg s MET 79 CO 0.41 0.17 1.47 0.45 -0.01 0.00 0.00 175.02 177.50 3dxg s SER 80 N -1.70 6.80 0.10 3.03 0.15 -1.26 -1.45 113.70 119.37 3dxg s SER 80 Ca -0.03 2.01 0.03 0.00 0.70 0.00 0.00 55.95 58.66 3dxg s SER 80 Cb -0.10 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 3dxg s SER 80 CO 0.02 -0.84 -0.09 0.27 1.20 0.00 0.00 173.24 173.81 3dxg s ILE 81 N 3.64 0.88 -0.11 6.45 -4.36 -0.38 -0.11 121.20 127.20 3dxg s ILE 81 Ca 0.65 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 59.26 3dxg s ILE 81 Cb -0.28 -1.52 0.02 0.00 1.25 0.00 0.00 42.46 41.93 3dxg s ILE 81 CO 0.23 -0.69 -0.14 -0.89 0.24 0.00 0.00 174.94 173.69 3dxg s THR 82 N -2.95 1.42 -0.02 8.37 2.01 0.28 -1.57 115.64 123.19 3dxg s THR 82 Ca 0.09 -0.58 -0.19 0.00 0.31 0.00 0.00 61.69 61.32 3dxg s THR 82 Cb 0.01 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 3dxg s THR 82 CO -0.01 0.43 0.53 -1.81 -0.69 0.00 0.00 174.62 173.06 3dxg s ASP 83 N 1.15 6.88 -0.18 3.53 1.01 0.31 -0.84 116.67 128.54 3dxg s ASP 83 Ca -0.03 1.05 -0.01 0.00 0.71 0.00 0.00 52.55 54.27 3dxg s ASP 83 Cb -0.14 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.47 3dxg s ASP 83 CO -0.04 0.14 -0.13 0.00 0.21 0.00 0.00 175.17 175.36 3dxg s ARG 85 N 1.14 1.72 0.24 0.00 3.52 -0.91 -1.31 118.95 123.35 3dxg s ARG 85 Ca 0.01 -0.40 -0.31 0.00 -0.13 0.00 0.00 55.73 54.90 3dxg s ARG 85 Cb -0.14 -1.50 -0.11 0.00 -1.56 0.00 0.00 34.95 31.64 3dxg s ARG 85 CO -0.04 -0.04 1.60 -2.00 -0.81 0.00 0.00 175.30 174.00 3dxg s GLU 86 N 0.91 4.16 0.79 5.12 2.12 -0.16 -0.75 118.70 130.89 3dxg s GLU 86 Ca -0.10 2.51 -0.11 0.00 0.36 0.00 0.00 54.97 57.63 3dxg s GLU 86 Cb -0.15 -3.07 0.07 0.00 0.26 0.00 0.00 34.13 31.24 3dxg s GLU 86 CO 0.01 -0.62 1.09 0.95 -0.54 0.00 0.00 175.26 176.14 3dxg s THR 87 N 0.48 3.24 0.37 -1.70 -4.23 0.14 -4.84 115.64 109.12 3dxg s THR 87 Ca 0.67 0.40 0.06 0.00 -1.18 0.00 0.00 61.69 61.64 3dxg s THR 87 Cb -0.47 -2.98 0.21 0.00 1.34 0.00 0.00 72.50 70.60 3dxg s THR 87 CO 0.40 -0.53 1.96 1.23 -0.54 0.00 0.00 174.62 177.15 3dxg h GLY 88 N -1.16 0.54 -0.53 3.99 0.00 -1.93 -2.91 103.07 101.07 3dxg h GLY 88 Ca -0.46 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.61 3dxg h GLY 88 CO 0.54 0.25 -0.18 -1.14 0.00 0.00 0.00 176.54 176.02 3dxg n SER 89 N -4.37 1.65 -4.71 0.19 3.41 -1.26 -4.94 113.62 103.59 3dxg n SER 89 Ca 0.02 -1.36 -0.42 0.00 -0.26 0.00 0.00 58.87 56.85 3dxg n SER 89 Cb 0.16 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 3dxg n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dxg s SER 90 N -2.27 6.40 -0.22 4.04 0.15 -1.10 -4.99 113.70 115.71 3dxg s SER 90 Ca 0.28 2.84 -0.00 0.00 0.70 0.00 0.00 55.95 59.76 3dxg s SER 90 Cb 0.20 -2.59 0.06 0.00 -1.71 0.00 0.00 66.02 61.97 3dxg s SER 90 CO 0.44 -0.97 -0.03 -0.54 1.20 0.00 0.00 173.24 173.34 3dxg s LYS 91 N 1.45 1.30 0.18 5.44 -0.14 -1.16 -4.89 119.74 121.92 3dxg s LYS 91 Ca 0.76 -0.78 -0.32 0.00 -1.36 0.00 0.00 55.97 54.27 3dxg s LYS 91 Cb -0.49 -2.40 -0.16 0.00 -1.68 0.00 0.00 37.83 33.11 3dxg s LYS 91 CO 0.33 -0.60 1.06 0.98 -0.76 0.00 0.00 175.35 176.36 3dxg n TYR 92 N 4.81 1.05 1.68 3.18 9.36 -1.26 0.26 117.16 136.24 3dxg n TYR 92 Ca -0.11 0.74 0.14 0.00 3.32 0.00 0.00 57.90 61.99 3dxg n TYR 92 Cb 0.45 -2.23 0.65 0.00 -0.63 0.00 0.00 39.34 37.59 3dxg n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dxg n PRO 93 N 1.50 1.38 -2.09 2.98 -0.04 -1.26 -4.97 135.00 132.51 3dxg n PRO 93 Ca 0.15 -0.56 -0.42 0.00 -0.04 0.00 0.00 63.50 62.63 3dxg n PRO 93 Cb 0.25 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 3dxg n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dxg n ASN 94 N -0.30 4.48 -4.69 3.54 5.03 0.14 -4.97 115.26 118.49 3dxg n ASN 94 Ca 0.20 -2.95 -0.42 0.00 0.87 0.00 0.00 54.58 52.27 3dxg n ASN 94 Cb 0.24 -1.60 -0.03 0.00 -1.02 0.00 0.00 39.78 37.38 3dxg n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dxg s ALA 96 N 2.43 2.03 0.02 0.00 0.00 -1.26 -4.86 121.76 120.11 3dxg s ALA 96 Ca 0.61 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.51 3dxg s ALA 96 Cb -0.29 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 3dxg s ALA 96 CO 0.25 0.49 -0.06 0.71 0.00 0.00 0.00 175.76 177.15 3dxg s TYR 97 N -0.61 0.53 -0.07 0.00 1.51 -1.26 -0.68 117.35 116.76 3dxg s TYR 97 Ca 0.10 -0.29 -0.21 0.00 -1.01 0.00 0.00 57.07 55.66 3dxg s TYR 97 Cb -0.09 -0.33 -0.04 0.00 -0.11 0.00 0.00 41.96 41.38 3dxg s TYR 97 CO -0.00 -0.05 0.59 0.21 -1.11 0.00 0.00 175.55 175.19 3dxg s LYS 98 N -0.82 4.37 -0.26 -0.62 2.20 0.07 -4.60 119.74 120.09 3dxg s LYS 98 Ca -0.04 0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 56.14 3dxg s LYS 98 Cb -0.06 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 3dxg s LYS 98 CO 0.00 0.16 0.22 0.99 -0.36 0.00 0.00 175.35 176.36 3dxg s THR 99 N 0.53 5.30 -0.16 3.43 2.01 -1.26 -2.15 115.64 123.34 3dxg s THR 99 Ca 0.32 0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.58 3dxg s THR 99 Cb -0.17 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 68.83 3dxg s THR 99 CO 0.15 0.27 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.41 3dxg s THR 100 N 1.50 1.06 0.11 -0.82 2.01 -0.25 -4.96 115.64 114.28 3dxg s THR 100 Ca 0.09 -0.58 -0.21 0.00 0.31 0.00 0.00 61.69 61.30 3dxg s THR 100 Cb -0.15 -1.23 -0.07 0.00 0.01 0.00 0.00 72.50 71.06 3dxg s THR 100 CO 0.08 0.14 0.65 -1.58 -0.69 0.00 0.00 174.62 173.22 3dxg s GLN 101 N 1.66 4.34 0.21 4.92 2.00 -1.26 -0.53 119.66 130.99 3dxg s GLN 101 Ca 0.01 0.89 -0.19 0.00 -2.00 0.00 0.00 55.36 54.07 3dxg s GLN 101 Cb -0.15 -3.24 0.03 0.00 0.80 0.00 0.00 33.01 30.45 3dxg s GLN 101 CO -0.08 0.61 0.57 0.00 -0.50 0.00 0.00 175.29 175.90 3dxg s ALA 102 N -1.13 -1.08 -0.25 1.58 0.00 -0.61 -4.99 121.76 115.29 3dxg s ALA 102 Ca 0.32 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.17 3dxg s ALA 102 Cb -0.21 0.86 0.06 0.00 0.00 0.00 0.00 23.12 23.83 3dxg s ALA 102 CO 0.22 -0.84 -0.11 -0.80 0.00 0.00 0.00 175.76 174.22 3dxg s ASN 103 N -2.87 4.34 0.12 0.00 0.01 -1.26 -1.24 114.94 114.04 3dxg s ASN 103 Ca 0.09 -1.34 -0.05 0.00 -0.71 0.00 0.00 52.86 50.85 3dxg s ASN 103 Cb -0.02 -1.53 -0.02 0.00 0.41 0.00 0.00 41.25 40.09 3dxg s ASN 103 CO -0.02 -0.18 0.13 -0.54 -1.51 0.00 0.00 177.10 174.98 3dxg s LYS 104 N 1.12 0.93 0.14 -0.60 1.02 -0.53 -4.79 119.74 117.03 3dxg s LYS 104 Ca -0.08 -1.24 -0.30 0.00 0.02 0.00 0.00 55.97 54.37 3dxg s LYS 104 Cb -0.19 0.29 -0.07 0.00 -0.52 0.00 0.00 37.83 37.34 3dxg s LYS 104 CO -0.06 -0.29 1.07 -1.01 -0.92 0.00 0.00 175.35 174.15 3dxg s HIS 105 N -3.97 3.63 0.14 3.18 3.76 -0.28 -0.08 115.29 121.68 3dxg s HIS 105 Ca 0.16 1.62 -0.02 0.00 -0.15 0.00 0.00 55.06 56.66 3dxg s HIS 105 Cb 0.06 -3.23 -0.05 0.00 1.11 0.00 0.00 32.58 30.47 3dxg s HIS 105 CO -0.03 -0.47 0.34 0.96 -0.85 0.00 0.00 174.74 174.70 3dxg s ILE 106 N 0.03 5.23 -0.16 0.60 -4.36 -1.26 -0.88 121.20 120.40 3dxg s ILE 106 Ca 0.50 -0.19 0.01 0.00 -0.26 0.00 0.00 60.65 60.70 3dxg s ILE 106 Cb -0.28 -3.66 0.02 0.00 1.25 0.00 0.00 42.46 39.80 3dxg s ILE 106 CO 0.33 -0.01 -0.15 -0.63 0.24 0.00 0.00 174.94 174.72 3dxg s ILE 107 N -1.69 1.68 0.15 8.37 1.01 0.41 -1.15 121.20 129.98 3dxg s ILE 107 Ca 0.39 -0.74 0.09 0.00 0.00 0.00 0.00 60.65 60.40 3dxg s ILE 107 Cb -0.12 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3dxg s ILE 107 CO 0.27 0.45 -0.21 0.68 0.00 0.00 0.00 174.94 176.12 3dxg s VAL 108 N 1.44 1.97 -0.08 2.92 -7.23 -0.54 -0.58 120.40 118.29 3dxg s VAL 108 Ca 0.04 -1.83 -0.11 0.00 -1.81 0.00 0.00 61.98 58.27 3dxg s VAL 108 Cb -0.13 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 3dxg s VAL 108 CO -0.11 -0.15 0.27 0.00 -0.31 0.00 0.00 175.10 174.79 3dxg s ALA 109 N -1.61 3.76 0.07 1.32 0.00 -0.08 -0.42 121.76 124.80 3dxg s ALA 109 Ca 0.14 -0.45 0.10 0.00 0.00 0.00 0.00 51.96 51.75 3dxg s ALA 109 Cb -0.08 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 3dxg s ALA 109 CO 0.07 0.46 -0.26 0.00 0.00 0.00 0.00 175.76 176.04 3dxg s GLU 111 N -1.55 1.03 0.29 0.00 2.02 -0.64 -4.88 118.70 114.98 3dxg s GLU 111 Ca 0.13 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.27 3dxg s GLU 111 Cb -0.10 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.55 3dxg s GLU 111 CO 0.04 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.35 3dxg n GLY 112 N -0.18 -2.43 2.62 -1.39 0.00 -1.26 -2.27 105.19 100.28 3dxg n GLY 112 Ca -0.14 -1.81 -0.27 0.00 0.00 0.00 0.00 46.02 43.79 3dxg n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dxg s ASN 113 N -2.91 2.83 0.75 1.61 3.84 -1.26 -2.82 114.94 116.99 3dxg s ASN 113 Ca 0.00 -0.88 -0.12 0.00 0.21 0.00 0.00 52.86 52.07 3dxg s ASN 113 Cb 0.00 -0.36 0.05 0.00 -0.55 0.00 0.00 41.25 40.39 3dxg s ASN 113 CO 0.00 -0.37 1.11 -2.16 -2.79 0.00 0.00 177.10 172.89 3dxg s PRO 114 N 2.06 2.24 -0.51 0.43 0.04 -1.26 -5.10 135.00 132.90 3dxg s PRO 114 Ca 0.04 1.34 -0.24 0.00 0.04 0.00 0.00 61.00 62.18 3dxg s PRO 114 Cb -0.16 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.53 3dxg s PRO 114 CO -0.17 -1.68 0.88 -0.47 0.04 0.00 0.00 177.00 175.60 3dxg s TYR 115 N -2.63 2.87 0.12 0.56 5.04 -1.13 -4.86 117.35 117.32 3dxg s TYR 115 Ca 0.65 0.03 0.01 0.00 -2.44 0.00 0.00 57.07 55.32 3dxg s TYR 115 Cb -0.20 -3.93 -0.04 0.00 0.35 0.00 0.00 41.96 38.14 3dxg s TYR 115 CO 0.51 -1.21 -0.02 0.14 -1.34 0.00 0.00 175.55 173.63 3dxg s VAL 116 N 3.68 0.51 0.22 3.14 -7.23 -0.96 -4.86 120.40 114.89 3dxg s VAL 116 Ca 0.30 -1.92 -0.31 0.00 -1.81 0.00 0.00 61.98 58.24 3dxg s VAL 116 Cb -0.13 -1.83 -0.10 0.00 0.56 0.00 0.00 36.38 34.88 3dxg s VAL 116 CO 0.20 -0.72 1.48 -2.84 -0.31 0.00 0.00 175.10 172.92 3dxg s PRO 117 N -3.91 4.25 0.00 4.82 0.02 -1.26 -1.61 135.00 137.31 3dxg s PRO 117 Ca 0.16 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.51 3dxg s PRO 117 Cb 0.06 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.46 3dxg s PRO 117 CO -0.02 -0.49 0.15 1.33 -0.33 0.00 0.00 177.00 177.64 3dxg n VAL 118 N 2.90 0.00 -3.67 3.83 0.24 0.24 -4.44 118.33 117.44 3dxg n VAL 118 Ca 0.09 -0.38 -0.12 0.00 -2.04 0.00 0.00 64.34 61.90 3dxg n VAL 118 Cb 0.40 1.10 -0.08 0.00 -1.47 0.00 0.00 33.84 33.78 3dxg n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3dxg s HIS 119 N -0.45 -0.73 -0.30 6.34 5.65 -1.15 -4.69 115.29 119.95 3dxg s HIS 119 Ca 0.00 1.68 -0.17 0.00 0.25 0.00 0.00 55.06 56.81 3dxg s HIS 119 Cb 0.00 0.31 -0.02 0.00 -1.18 0.00 0.00 32.58 31.69 3dxg s HIS 119 CO 0.00 -0.36 0.47 0.12 -0.65 0.00 0.00 174.74 174.32 3dxg s PHE 120 N 0.72 3.22 -0.19 3.88 5.36 -1.26 -0.91 117.98 128.80 3dxg s PHE 120 Ca -0.03 0.36 -0.13 0.00 -0.96 0.00 0.00 56.93 56.17 3dxg s PHE 120 Cb -0.05 -2.77 -0.20 0.00 -0.34 0.00 0.00 43.02 39.66 3dxg s PHE 120 CO -0.05 -0.39 0.13 -3.47 -1.46 0.00 0.00 175.22 169.99 3dxg n ASP 121 N 5.57 1.98 -3.62 6.13 2.03 0.25 -4.96 116.55 123.93 3dxg n ASP 121 Ca -0.06 0.28 -0.02 0.00 0.52 0.00 0.00 54.79 55.51 3dxg n ASP 121 Cb 0.50 -0.85 -0.01 0.00 -0.72 0.00 0.00 41.12 40.03 3dxg n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dxg s ALA 122 N -2.47 -2.04 0.10 -1.67 0.00 -1.04 -4.94 121.76 109.70 3dxg s ALA 122 Ca -0.29 0.93 0.08 0.00 0.00 0.00 0.00 51.96 52.68 3dxg s ALA 122 Cb 0.08 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 3dxg s ALA 122 CO 0.64 -0.86 -0.21 -1.54 0.00 0.00 0.00 175.76 173.79 3dxg s SER 123 N -2.66 2.53 0.00 0.00 1.04 -1.26 -0.44 113.70 112.90 3dxg s SER 123 Ca 0.11 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.87 3dxg s SER 123 Cb 0.01 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3dxg s SER 123 CO -0.04 0.07 0.06 1.33 0.98 0.00 0.00 173.24 175.64