#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfj n GLU 2 N 0.00 -3.45 -2.36 1.64 2.13 -1.26 -4.99 120.64 112.35 1dfj n GLU 2 Ca 0.00 2.75 -0.37 0.00 0.66 0.00 0.00 57.16 60.20 1dfj n GLU 2 Cb 0.00 -4.81 -0.02 0.00 0.27 0.00 0.00 31.44 26.88 1dfj n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1dfj s THR 3 N -1.16 3.33 0.55 6.31 -4.23 -1.26 -4.79 115.64 114.38 1dfj s THR 3 Ca -0.09 0.98 0.32 0.00 -1.18 0.00 0.00 61.69 61.73 1dfj s THR 3 Cb 0.01 -3.49 0.32 0.00 1.34 0.00 0.00 72.50 70.68 1dfj s THR 3 CO 0.70 -0.03 1.99 0.00 -0.54 0.00 0.00 174.62 176.74 1dfj h ALA 4 N 2.09 1.20 0.01 3.99 0.00 -1.95 0.77 119.26 125.37 1dfj h ALA 4 Ca -0.49 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 1dfj h ALA 4 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1dfj h ALA 4 CO 0.60 -0.20 -0.92 0.00 0.00 0.00 0.00 179.25 178.74 1dfj h ALA 5 N 1.57 0.49 -0.07 0.00 0.00 -1.90 -2.51 119.26 116.83 1dfj h ALA 5 Ca 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 54.91 54.00 1dfj h ALA 5 Cb 0.41 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1dfj h ALA 5 CO 0.00 1.01 -0.47 0.00 0.00 0.00 0.00 179.25 179.79 1dfj h ALA 6 N 1.00 0.15 -0.80 0.00 0.00 0.14 -1.96 119.26 117.78 1dfj h ALA 6 Ca -0.04 -0.50 0.13 0.00 0.00 0.00 0.00 54.91 54.51 1dfj h ALA 6 Cb 1.58 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.28 1dfj h ALA 6 CO 0.13 0.32 0.40 -0.22 0.00 0.00 0.00 179.25 179.88 1dfj h LYS 7 N -0.01 0.58 0.24 0.00 3.64 -1.10 0.15 116.57 120.06 1dfj h LYS 7 Ca -0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1dfj h LYS 7 Cb 1.13 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1dfj h LYS 7 CO 0.10 0.38 -0.11 0.35 -2.27 0.00 0.00 179.45 177.90 1dfj h PHE 8 N 0.60 -0.29 -1.00 1.91 3.57 -1.41 0.39 116.94 120.71 1dfj h PHE 8 Ca 0.43 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 62.10 1dfj h PHE 8 Cb 0.57 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 39.31 1dfj h PHE 8 CO -0.11 -0.06 0.60 0.93 -2.23 0.00 0.00 178.31 177.44 1dfj h GLU 9 N -0.48 0.75 0.03 1.11 5.08 -0.37 0.56 114.58 121.26 1dfj h GLU 9 Ca -0.03 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1dfj h GLU 9 Cb 0.36 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1dfj h GLU 9 CO 0.05 0.50 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.46 1dfj h ARG 10 N 0.78 -0.04 0.00 2.33 2.43 -0.63 -3.14 114.38 116.11 1dfj h ARG 10 Ca 0.57 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.71 1dfj h ARG 10 Cb 0.85 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1dfj h ARG 10 CO -0.37 0.65 -0.13 1.96 -1.51 0.00 0.00 179.97 180.56 1dfj h GLN 11 N -0.87 0.00 0.00 0.20 4.20 0.15 -3.38 115.11 115.41 1dfj h GLN 11 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1dfj h GLN 11 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1dfj h GLN 11 CO 0.01 0.13 -0.18 0.72 -0.67 0.00 0.00 178.83 178.84 1dfj n HIS 12 N -3.31 0.00 -4.77 2.96 8.25 0.15 -4.76 115.22 113.74 1dfj n HIS 12 Ca -0.00 -0.03 -0.33 0.00 -0.26 0.00 0.00 57.72 57.10 1dfj n HIS 12 Cb 0.36 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 31.31 1dfj n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1dfj s MET 13 N -0.07 3.22 -0.42 -0.41 -1.94 -1.18 -1.89 119.30 116.60 1dfj s MET 13 Ca 0.00 -0.67 0.05 0.00 -1.71 0.00 0.00 55.69 53.37 1dfj s MET 13 Cb 0.00 -2.60 0.19 0.00 2.01 0.00 0.00 34.83 34.44 1dfj s MET 13 CO 0.00 0.31 0.45 -3.47 -0.01 0.00 0.00 175.02 172.30 1dfj n ASP 14 N 3.25 -0.78 0.10 3.03 2.03 -0.69 -4.92 116.55 118.58 1dfj n ASP 14 Ca -0.18 -2.54 0.11 0.00 0.52 0.00 0.00 54.79 52.69 1dfj n ASP 14 Cb 0.53 -0.21 0.45 0.00 -0.72 0.00 0.00 41.12 41.16 1dfj n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1dfj n SER 15 N 2.47 0.51 0.02 1.67 7.64 -1.26 -3.90 113.62 120.78 1dfj n SER 15 Ca 0.26 0.64 -0.09 0.00 1.01 0.00 0.00 58.87 60.68 1dfj n SER 15 Cb 0.51 -0.74 -0.07 0.00 -1.01 0.00 0.00 64.21 62.90 1dfj n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1dfj h SER 16 N 0.00 -0.14 -3.74 6.43 4.64 -1.90 -3.44 113.55 115.40 1dfj h SER 16 Ca 0.00 -0.37 -0.49 0.00 -0.47 0.00 0.00 61.79 60.46 1dfj h SER 16 Cb 0.30 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1dfj h SER 16 CO 0.00 0.47 0.24 0.42 -0.87 0.00 0.00 176.83 177.09 1dfj s THR 17 N -2.86 4.36 -2.03 2.95 -4.23 -1.25 -4.93 115.64 107.65 1dfj s THR 17 Ca -0.11 1.61 0.25 0.00 -1.18 0.00 0.00 61.69 62.27 1dfj s THR 17 Cb -0.00 -3.97 0.23 0.00 1.34 0.00 0.00 72.50 70.10 1dfj s THR 17 CO 0.40 0.20 1.44 -0.24 -0.54 0.00 0.00 174.62 175.88 1dfj n SER 18 N 0.71 1.51 -3.57 3.99 2.88 -1.26 -4.74 113.62 113.14 1dfj n SER 18 Ca -0.00 -1.23 -0.07 0.00 -1.33 0.00 0.00 58.87 56.24 1dfj n SER 18 Cb 0.50 0.20 -0.03 0.00 -0.75 0.00 0.00 64.21 64.13 1dfj n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dfj s ALA 19 N -2.39 -1.97 0.07 -1.46 0.00 -1.26 -4.86 121.76 109.90 1dfj s ALA 19 Ca 0.25 1.45 -0.31 0.00 0.00 0.00 0.00 51.96 53.36 1dfj s ALA 19 Cb 0.19 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 23.00 1dfj s ALA 19 CO 0.49 -0.52 1.45 0.00 0.00 0.00 0.00 175.76 177.19 1dfj s ALA 20 N -2.17 3.62 0.02 0.00 0.00 -1.26 -4.96 121.76 117.01 1dfj s ALA 20 Ca 0.05 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.98 1dfj s ALA 20 Cb -0.01 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 1dfj s ALA 20 CO -0.05 -0.81 1.16 0.77 0.00 0.00 0.00 175.76 176.84 1dfj h SER 21 N 7.41 -0.36 -2.81 0.00 0.02 -2.00 -3.48 113.55 112.33 1dfj h SER 21 Ca -0.41 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1dfj h SER 21 Cb 1.20 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1dfj h SER 21 CO 0.89 -0.23 0.00 -1.54 -1.14 0.00 0.00 176.83 174.81 1dfj n SER 22 N -3.11 1.94 -0.42 3.07 3.41 -1.26 -5.01 113.62 112.24 1dfj n SER 22 Ca -0.05 -0.92 0.14 0.00 -0.26 0.00 0.00 58.87 57.79 1dfj n SER 22 Cb 0.15 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 64.67 1dfj n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1dfj n SER 23 N -0.98 1.31 -0.84 4.04 3.41 -1.26 -3.64 113.62 115.66 1dfj n SER 23 Ca 0.00 -1.43 0.07 0.00 -0.26 0.00 0.00 58.87 57.26 1dfj n SER 23 Cb 0.00 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.17 1dfj n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1dfj n ASN 24 N 0.02 3.50 0.43 4.04 2.85 -1.26 -4.22 115.26 120.62 1dfj n ASN 24 Ca 0.19 -2.44 -0.17 0.00 -0.11 0.00 0.00 54.58 52.05 1dfj n ASN 24 Cb 0.33 -0.39 -0.08 0.00 1.24 0.00 0.00 39.78 40.87 1dfj n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1dfj h TYR 25 N 2.17 -1.02 -0.29 1.20 3.20 -1.96 -3.33 116.97 116.93 1dfj h TYR 25 Ca 0.00 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.91 1dfj h TYR 25 Cb 1.08 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 39.62 1dfj h TYR 25 CO 0.39 -0.63 -0.19 0.00 -1.64 0.00 0.00 178.16 176.09 1dfj h ASN 27 N -0.16 0.15 0.00 0.00 4.21 -1.85 -0.61 115.58 117.32 1dfj h ASN 27 Ca 0.15 0.07 -0.04 0.00 1.21 0.00 0.00 56.30 57.70 1dfj h ASN 27 Cb 0.40 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.65 1dfj h ASN 27 CO -0.39 -0.07 -0.31 1.56 -1.29 0.00 0.00 177.43 176.93 1dfj h GLN 28 N 0.08 0.00 -0.44 0.81 4.20 -1.46 -3.32 115.11 114.98 1dfj h GLN 28 Ca 0.78 0.00 0.09 0.00 0.06 0.00 0.00 58.65 59.58 1dfj h GLN 28 Cb 2.72 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 30.41 1dfj h GLN 28 CO -0.22 0.44 -0.18 0.52 -0.67 0.00 0.00 178.83 178.72 1dfj h MET 29 N -1.00 -0.09 -0.52 1.46 2.86 -0.85 0.27 114.93 117.07 1dfj h MET 29 Ca -0.06 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.74 1dfj h MET 29 Cb 0.59 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1dfj h MET 29 CO -0.03 -0.06 0.42 0.52 1.06 0.00 0.00 176.91 178.82 1dfj h MET 30 N -0.09 0.00 0.04 1.72 2.86 -1.34 -0.28 114.93 117.85 1dfj h MET 30 Ca 0.21 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.76 1dfj h MET 30 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1dfj h MET 30 CO -0.50 0.00 -0.45 -0.22 1.06 0.00 0.00 176.91 176.80 1dfj h LYS 31 N 0.00 0.09 -0.97 1.72 3.64 -0.95 0.29 116.57 120.39 1dfj h LYS 31 Ca 0.25 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1dfj h LYS 31 Cb 1.09 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1dfj h LYS 31 CO -0.00 1.07 0.04 -1.13 -2.27 0.00 0.00 179.45 177.16 1dfj n SER 32 N -4.42 2.30 -0.24 4.20 3.41 0.71 -2.49 113.62 117.08 1dfj n SER 32 Ca -0.15 -2.18 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 1dfj n SER 32 Cb 0.62 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1dfj n SER 32 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1dfj n ARG 33 N 0.17 0.00 -2.37 4.33 5.12 -0.63 -4.98 116.66 118.29 1dfj n ARG 33 Ca 0.06 -0.56 -0.15 0.00 -1.93 0.00 0.00 57.85 55.26 1dfj n ARG 33 Cb 0.51 -0.38 -0.01 0.00 -1.16 0.00 0.00 32.46 31.42 1dfj n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1dfj n ASN 34 N 0.00 -4.60 0.11 0.55 4.13 -1.04 -4.83 115.26 109.58 1dfj n ASN 34 Ca 0.00 0.13 0.12 0.00 1.68 0.00 0.00 54.58 56.52 1dfj n ASN 34 Cb 0.57 -3.89 0.25 0.00 -1.54 0.00 0.00 39.78 35.18 1dfj n ASN 34 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1dfj h LEU 35 N 0.00 0.00 -3.35 3.41 3.38 -1.19 -3.19 115.31 114.37 1dfj h LEU 35 Ca -0.36 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.32 1dfj h LEU 35 Cb 1.26 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.86 1dfj h LEU 35 CO 0.43 0.03 -0.28 0.35 0.09 0.00 0.00 178.44 179.06 1dfj n THR 36 N -2.40 2.51 0.00 0.22 -2.24 -1.07 -1.60 114.28 109.70 1dfj n THR 36 Ca 0.04 -3.17 -0.01 0.00 -2.27 0.00 0.00 64.05 58.64 1dfj n THR 36 Cb 0.46 -0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1dfj n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1dfj h LYS 37 N 1.25 -0.06 0.17 -0.78 3.64 -1.86 -3.41 116.57 115.53 1dfj h LYS 37 Ca 0.20 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.29 1dfj h LYS 37 Cb 1.41 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.26 1dfj h LYS 37 CO 0.40 -0.04 -1.36 -0.44 -2.27 0.00 0.00 179.45 175.74 1dfj h ASP 38 N -0.48 0.56 -5.04 4.20 3.32 -1.87 -3.48 116.42 113.64 1dfj h ASP 38 Ca -0.01 -0.62 -0.03 0.00 0.02 0.00 0.00 57.03 56.39 1dfj h ASP 38 Cb 0.05 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1dfj h ASP 38 CO 0.01 1.49 0.24 0.00 -1.72 0.00 0.00 179.24 179.26 1dfj s ARG 39 N -2.63 2.19 -0.15 3.56 1.70 -1.26 -5.04 118.95 117.32 1dfj s ARG 39 Ca -0.06 -1.44 -0.22 0.00 -0.47 0.00 0.00 55.73 53.54 1dfj s ARG 39 Cb 0.06 0.61 -0.03 0.00 -0.57 0.00 0.00 34.95 35.03 1dfj s ARG 39 CO 0.90 -1.02 0.67 0.00 -1.08 0.00 0.00 175.30 174.78 1dfj s LYS 41 N 1.53 4.24 0.25 0.00 2.20 -0.63 -4.89 119.74 122.44 1dfj s LYS 41 Ca 0.33 2.11 -0.04 0.00 -0.36 0.00 0.00 55.97 58.00 1dfj s LYS 41 Cb -0.16 -3.61 0.46 0.00 -1.51 0.00 0.00 37.83 33.00 1dfj s LYS 41 CO 0.13 -0.65 1.74 -1.35 -0.36 0.00 0.00 175.35 174.86 1dfj h PRO 42 N 8.13 0.48 -3.04 4.03 0.11 -1.94 -3.44 132.00 136.33 1dfj h PRO 42 Ca -0.39 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.61 1dfj h PRO 42 Cb 1.18 -0.11 -0.17 0.00 0.11 0.00 0.00 31.00 32.02 1dfj h PRO 42 CO 0.92 0.32 -0.12 0.08 -0.21 0.00 0.00 178.00 178.99 1dfj s VAL 43 N -6.01 0.06 -0.20 3.15 1.01 -1.26 -2.72 120.40 114.42 1dfj s VAL 43 Ca -0.12 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 1dfj s VAL 43 Cb 0.20 -0.94 0.09 0.00 0.00 0.00 0.00 36.38 35.74 1dfj s VAL 43 CO 0.77 -0.26 0.84 0.21 0.00 0.00 0.00 175.10 176.66 1dfj s ASN 44 N -1.98 -0.58 0.00 3.32 2.47 -0.89 -5.02 114.94 112.26 1dfj s ASN 44 Ca -0.06 0.91 0.07 0.00 0.42 0.00 0.00 52.86 54.21 1dfj s ASN 44 Cb -0.01 0.85 -0.02 0.00 -1.45 0.00 0.00 41.25 40.62 1dfj s ASN 44 CO -0.02 -0.33 -0.23 -0.89 -3.72 0.00 0.00 177.10 171.91 1dfj s THR 45 N -0.35 1.81 -0.06 -5.21 2.01 -1.26 -0.52 115.64 112.06 1dfj s THR 45 Ca -0.02 -1.06 0.04 0.00 0.31 0.00 0.00 61.69 60.95 1dfj s THR 45 Cb -0.03 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 1dfj s THR 45 CO 0.02 0.43 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.85 1dfj s PHE 46 N -0.61 2.65 -0.14 4.92 0.08 -0.42 -4.55 117.98 119.90 1dfj s PHE 46 Ca 0.09 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.70 1dfj s PHE 46 Cb -0.09 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 1dfj s PHE 46 CO -0.00 0.02 0.09 0.08 -0.10 0.00 0.00 175.22 175.31 1dfj s VAL 47 N -0.41 5.06 -0.36 -0.44 1.01 -0.79 -1.10 120.40 123.37 1dfj s VAL 47 Ca 0.04 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.15 1dfj s VAL 47 Cb -0.12 -3.22 0.65 0.00 0.00 0.00 0.00 36.38 33.69 1dfj s VAL 47 CO 0.02 0.55 1.76 1.41 0.00 0.00 0.00 175.10 178.84 1dfj n HIS 48 N 2.66 2.36 -3.61 5.22 8.25 0.16 -1.70 115.22 128.56 1dfj n HIS 48 Ca -0.18 -1.54 -0.22 0.00 -0.26 0.00 0.00 57.72 55.52 1dfj n HIS 48 Cb 0.54 -0.74 -0.02 0.00 1.12 0.00 0.00 29.99 30.88 1dfj n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1dfj s GLU 49 N -3.17 2.47 0.65 -0.41 0.41 -1.26 -4.65 118.70 112.74 1dfj s GLU 49 Ca 0.53 -1.63 -0.14 0.00 -0.41 0.00 0.00 54.97 53.32 1dfj s GLU 49 Cb 0.45 -2.33 -0.00 0.00 -1.78 0.00 0.00 34.13 30.46 1dfj s GLU 49 CO 0.09 -0.29 1.08 -1.54 -0.49 0.00 0.00 175.26 174.12 1dfj s SER 50 N -4.17 5.30 0.23 -0.19 1.04 -1.26 -4.23 113.70 110.42 1dfj s SER 50 Ca 0.46 1.87 -0.07 0.00 0.48 0.00 0.00 55.95 58.69 1dfj s SER 50 Cb -0.03 -2.53 0.26 0.00 0.10 0.00 0.00 66.02 63.82 1dfj s SER 50 CO 0.27 -1.50 1.89 0.25 0.98 0.00 0.00 173.24 175.13 1dfj h LEU 51 N -0.06 0.95 -0.99 2.42 5.85 -1.98 -2.56 115.31 118.95 1dfj h LEU 51 Ca -0.46 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 1dfj h LEU 51 Cb 1.23 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1dfj h LEU 51 CO 0.55 0.66 -0.49 0.00 -0.34 0.00 0.00 178.44 178.82 1dfj h ALA 52 N 1.36 1.13 0.00 1.25 0.00 -1.98 0.36 119.26 121.38 1dfj h ALA 52 Ca 0.34 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dfj h ALA 52 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1dfj h ALA 52 CO -0.11 0.61 0.00 -3.47 0.00 0.00 0.00 179.25 176.28 1dfj n ASP 53 N -3.87 0.00 -0.08 0.00 2.03 -0.99 -2.72 116.55 110.92 1dfj n ASP 53 Ca -0.01 0.46 -0.11 0.00 0.52 0.00 0.00 54.79 55.65 1dfj n ASP 53 Cb 0.52 -0.48 -0.09 0.00 -0.72 0.00 0.00 41.12 40.35 1dfj n ASP 53 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1dfj n VAL 54 N -1.48 0.97 0.36 5.18 0.31 -0.43 -4.47 118.33 118.77 1dfj n VAL 54 Ca 0.05 -0.42 0.12 0.00 -0.01 0.00 0.00 64.34 64.08 1dfj n VAL 54 Cb 0.22 -1.01 0.51 0.00 -0.91 0.00 0.00 33.84 32.64 1dfj n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dfj n GLN 55 N -2.90 0.19 0.00 5.55 6.02 0.11 -2.30 117.38 124.05 1dfj n GLN 55 Ca -0.29 0.46 0.15 0.00 -0.01 0.00 0.00 57.00 57.31 1dfj n GLN 55 Cb 0.85 -1.89 0.71 0.00 1.02 0.00 0.00 30.24 30.93 1dfj n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1dfj n ALA 56 N -1.78 2.57 0.30 -1.58 0.00 -1.10 -3.46 120.51 115.46 1dfj n ALA 56 Ca 0.02 -0.18 0.15 0.00 0.00 0.00 0.00 53.44 53.43 1dfj n ALA 56 Cb 0.20 -1.44 0.51 0.00 0.00 0.00 0.00 19.45 18.71 1dfj n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dfj h VAL 57 N 0.13 0.00 0.00 0.00 2.07 -1.73 -3.18 116.25 113.55 1dfj h VAL 57 Ca 0.00 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1dfj h VAL 57 Cb 0.32 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1dfj h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1dfj n SER 59 N -2.74 2.95 0.00 0.00 3.41 -1.20 -4.94 113.62 111.09 1dfj n SER 59 Ca 0.01 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.36 1dfj n SER 59 Cb 0.25 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1dfj n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dfj n GLN 60 N -0.98 3.70 -1.69 4.33 6.02 -0.72 -5.04 117.38 123.00 1dfj n GLN 60 Ca 0.22 0.00 -0.51 0.00 -0.01 0.00 0.00 57.00 56.70 1dfj n GLN 60 Cb 0.82 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 32.03 1dfj n GLN 60 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1dfj n LYS 61 N 0.00 1.91 -3.08 -1.09 4.81 -1.23 -4.85 118.16 114.63 1dfj n LYS 61 Ca 0.00 0.70 -0.40 0.00 -0.87 0.00 0.00 58.31 57.74 1dfj n LYS 61 Cb 0.00 -2.50 -0.05 0.00 0.02 0.00 0.00 35.03 32.50 1dfj n LYS 61 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1dfj s ASN 62 N 3.80 6.78 0.11 3.14 3.84 -1.26 0.03 114.94 131.38 1dfj s ASN 62 Ca 0.94 0.94 0.03 0.00 0.21 0.00 0.00 52.86 54.98 1dfj s ASN 62 Cb -0.79 -2.37 -0.04 0.00 -0.55 0.00 0.00 41.25 37.50 1dfj s ASN 62 CO 0.55 -0.26 -0.09 -0.69 -2.79 0.00 0.00 177.10 173.83 1dfj s VAL 63 N 1.71 0.90 0.06 -5.21 1.01 0.21 -4.90 120.40 114.18 1dfj s VAL 63 Ca 0.31 -1.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.20 1dfj s VAL 63 Cb -0.16 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 1dfj s VAL 63 CO 0.12 -0.73 0.70 0.00 0.00 0.00 0.00 175.10 175.18 1dfj s ALA 64 N -3.14 3.44 1.17 5.51 0.00 -1.26 -2.16 121.76 125.31 1dfj s ALA 64 Ca 0.11 0.20 -0.18 0.00 0.00 0.00 0.00 51.96 52.09 1dfj s ALA 64 Cb 0.02 -2.88 0.27 0.00 0.00 0.00 0.00 23.12 20.53 1dfj s ALA 64 CO -0.02 0.17 1.12 0.00 0.00 0.00 0.00 175.76 177.03 1dfj h LYS 66 N -2.46 0.00 -0.61 0.00 1.57 -1.95 -1.49 116.57 111.64 1dfj h LYS 66 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1dfj h LYS 66 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1dfj h LYS 66 CO 0.37 0.05 0.00 0.27 -0.57 0.00 0.00 179.45 179.57 1dfj n ASN 67 N -3.31 5.04 0.00 0.86 6.94 -1.26 -4.96 115.26 118.58 1dfj n ASN 67 Ca -0.01 -2.62 0.00 0.00 -0.02 0.00 0.00 54.58 51.92 1dfj n ASN 67 Cb 0.21 -0.61 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 1dfj n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1dfj n GLY 68 N 0.90 0.92 3.85 4.83 0.00 -0.56 -5.03 105.19 110.09 1dfj n GLY 68 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1dfj n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dfj s GLN 69 N -0.01 3.96 0.00 1.61 -0.21 -1.26 -4.81 119.66 118.94 1dfj s GLN 69 Ca 0.00 0.72 0.27 0.00 0.02 0.00 0.00 55.36 56.37 1dfj s GLN 69 Cb 0.00 -2.34 0.80 0.00 1.00 0.00 0.00 33.01 32.47 1dfj s GLN 69 CO 0.00 0.01 1.60 0.25 -2.12 0.00 0.00 175.29 175.03 1dfj n THR 70 N -0.85 0.00 -0.94 -0.19 -2.24 -1.26 -0.77 114.28 108.02 1dfj n THR 70 Ca 0.04 -0.29 -0.22 0.00 -2.27 0.00 0.00 64.05 61.30 1dfj n THR 70 Cb 0.54 0.74 0.07 0.00 -2.10 0.00 0.00 70.33 69.58 1dfj n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1dfj n ASN 71 N 0.36 6.11 -4.21 3.42 6.94 -1.26 -4.51 115.26 122.10 1dfj n ASN 71 Ca 0.17 -3.30 -0.37 0.00 -0.02 0.00 0.00 54.58 51.05 1dfj n ASN 71 Cb 0.41 -0.95 -0.12 0.00 -2.36 0.00 0.00 39.78 36.76 1dfj n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1dfj s TYR 73 N 1.31 3.46 -0.15 0.00 1.51 -0.59 0.65 117.35 123.53 1dfj s TYR 73 Ca 0.01 1.01 -0.08 0.00 -1.01 0.00 0.00 57.07 57.00 1dfj s TYR 73 Cb -0.21 -2.75 -0.04 0.00 -0.11 0.00 0.00 41.96 38.84 1dfj s TYR 73 CO -0.00 -0.04 0.14 -1.14 -1.11 0.00 0.00 175.55 173.40 1dfj s GLN 74 N 1.36 3.74 0.47 -0.62 0.74 0.10 -2.54 119.66 122.92 1dfj s GLN 74 Ca 0.30 -0.16 -0.19 0.00 0.05 0.00 0.00 55.36 55.36 1dfj s GLN 74 Cb -0.16 -3.28 -0.10 0.00 1.10 0.00 0.00 33.01 30.57 1dfj s GLN 74 CO 0.12 0.59 0.97 -1.54 -0.55 0.00 0.00 175.29 174.88 1dfj s SER 75 N -0.47 6.74 -0.07 6.67 1.04 -1.13 -3.49 113.70 123.00 1dfj s SER 75 Ca 0.12 1.68 -0.24 0.00 0.48 0.00 0.00 55.95 57.99 1dfj s SER 75 Cb -0.12 -2.53 -0.28 0.00 0.10 0.00 0.00 66.02 63.19 1dfj s SER 75 CO 0.02 -0.50 0.89 1.88 0.98 0.00 0.00 173.24 176.51 1dfj h TYR 76 N 1.52 0.36 -3.51 5.02 0.05 -1.98 -3.40 116.97 115.04 1dfj h TYR 76 Ca -0.48 -0.25 -0.52 0.00 0.05 0.00 0.00 58.73 57.52 1dfj h TYR 76 Cb 1.19 -0.02 0.05 0.00 1.01 0.00 0.00 36.73 38.95 1dfj h TYR 76 CO 0.62 1.17 0.67 -1.12 -1.05 0.00 0.00 178.16 178.45 1dfj s SER 77 N -6.67 6.82 -0.34 3.88 0.01 -1.26 -4.92 113.70 111.23 1dfj s SER 77 Ca -0.15 2.53 -0.29 0.00 1.31 0.00 0.00 55.95 59.35 1dfj s SER 77 Cb -0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.61 1dfj s SER 77 CO 0.78 -0.56 1.30 0.42 0.41 0.00 0.00 173.24 175.59 1dfj s THR 78 N -0.24 4.11 0.20 1.44 -4.23 -1.26 -4.46 115.64 111.21 1dfj s THR 78 Ca 0.55 1.23 -0.02 0.00 -1.18 0.00 0.00 61.69 62.27 1dfj s THR 78 Cb -0.38 -4.21 -0.05 0.00 1.34 0.00 0.00 72.50 69.20 1dfj s THR 78 CO 0.43 -0.57 0.41 -0.04 -0.54 0.00 0.00 174.62 174.31 1dfj s MET 79 N 4.32 3.55 -0.33 3.99 -1.94 0.12 -4.70 119.30 124.30 1dfj s MET 79 Ca 0.56 -0.24 -0.29 0.00 -1.71 0.00 0.00 55.69 54.01 1dfj s MET 79 Cb -0.15 -2.81 0.02 0.00 2.01 0.00 0.00 34.83 33.89 1dfj s MET 79 CO 0.25 0.38 1.10 0.45 -0.01 0.00 0.00 175.02 177.20 1dfj s SER 80 N -3.03 6.88 0.47 3.03 0.15 -1.26 -0.98 113.70 118.96 1dfj s SER 80 Ca 0.40 1.00 0.02 0.00 0.70 0.00 0.00 55.95 58.07 1dfj s SER 80 Cb -0.11 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.64 1dfj s SER 80 CO 0.28 -0.93 0.06 0.27 1.20 0.00 0.00 173.24 174.12 1dfj s ILE 81 N 3.78 0.87 -0.18 6.45 -4.36 0.25 0.39 121.20 128.40 1dfj s ILE 81 Ca 0.46 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.78 1dfj s ILE 81 Cb -0.12 -2.21 0.08 0.00 1.25 0.00 0.00 42.46 41.46 1dfj s ILE 81 CO 0.18 0.00 0.39 -0.89 0.24 0.00 0.00 174.94 174.86 1dfj s THR 82 N -3.02 -0.49 -0.37 8.37 2.01 -0.25 -2.60 115.64 119.29 1dfj s THR 82 Ca 0.13 0.17 -0.19 0.00 0.31 0.00 0.00 61.69 62.11 1dfj s THR 82 Cb 0.02 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1dfj s THR 82 CO 0.08 0.07 0.54 -1.81 -0.69 0.00 0.00 174.62 172.81 1dfj s ASP 83 N 2.34 6.32 -0.17 3.53 1.01 -0.10 -1.31 116.67 128.28 1dfj s ASP 83 Ca -0.03 -0.13 -0.13 0.00 0.71 0.00 0.00 52.55 52.98 1dfj s ASP 83 Cb -0.11 -2.28 -0.05 0.00 1.01 0.00 0.00 42.92 41.49 1dfj s ASP 83 CO -0.12 -0.55 0.24 0.00 0.21 0.00 0.00 175.17 174.94 1dfj s ARG 85 N 0.42 -0.00 0.36 0.00 3.52 -1.08 -2.10 118.95 120.07 1dfj s ARG 85 Ca 0.14 0.40 -0.24 0.00 -0.13 0.00 0.00 55.73 55.90 1dfj s ARG 85 Cb -0.12 -0.59 -0.14 0.00 -1.56 0.00 0.00 34.95 32.54 1dfj s ARG 85 CO 0.02 -0.37 0.52 -1.91 -0.81 0.00 0.00 175.30 172.75 1dfj n GLU 86 N 5.31 0.46 -3.41 5.12 2.13 -1.10 -0.43 120.64 128.73 1dfj n GLU 86 Ca -0.04 0.17 -0.19 0.00 0.66 0.00 0.00 57.16 57.75 1dfj n GLU 86 Cb 0.50 -1.37 -0.00 0.00 0.27 0.00 0.00 31.44 30.84 1dfj n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1dfj s THR 87 N -1.36 4.06 0.58 6.31 -4.23 0.25 -4.69 115.64 116.56 1dfj s THR 87 Ca 0.62 -0.94 0.28 0.00 -1.18 0.00 0.00 61.69 60.47 1dfj s THR 87 Cb -0.68 -3.41 0.36 0.00 1.34 0.00 0.00 72.50 70.10 1dfj s THR 87 CO 0.59 -0.18 2.12 1.23 -0.54 0.00 0.00 174.62 177.84 1dfj h GLY 88 N 0.83 0.00 -3.42 3.99 0.00 -1.94 -2.16 103.07 100.37 1dfj h GLY 88 Ca -0.46 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.50 1dfj h GLY 88 CO 0.53 0.00 0.48 1.44 0.00 0.00 0.00 176.54 178.99 1dfj n SER 89 N -3.91 4.36 -3.75 0.19 7.64 -1.26 -4.76 113.62 112.13 1dfj n SER 89 Ca 0.01 -3.14 -0.40 0.00 1.01 0.00 0.00 58.87 56.36 1dfj n SER 89 Cb 0.29 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1dfj n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1dfj n SER 90 N -0.48 6.34 -4.42 6.43 2.88 -0.82 -4.67 113.62 118.89 1dfj n SER 90 Ca 0.41 -3.53 -0.44 0.00 -1.33 0.00 0.00 58.87 53.98 1dfj n SER 90 Cb 1.12 -1.13 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 1dfj n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1dfj s LYS 91 N -3.32 3.08 0.30 -1.46 2.20 0.21 -4.76 119.74 115.99 1dfj s LYS 91 Ca 0.36 -1.07 -0.28 0.00 -0.36 0.00 0.00 55.97 54.61 1dfj s LYS 91 Cb 0.12 -4.25 -0.13 0.00 -1.51 0.00 0.00 37.83 32.06 1dfj s LYS 91 CO 0.00 -1.69 1.13 0.98 -0.36 0.00 0.00 175.35 175.42 1dfj n TYR 92 N 7.05 1.68 0.22 4.03 9.36 -1.26 -0.06 117.16 138.18 1dfj n TYR 92 Ca -0.06 0.64 0.13 0.00 3.32 0.00 0.00 57.90 61.92 1dfj n TYR 92 Cb 0.44 -2.32 0.70 0.00 -0.63 0.00 0.00 39.34 37.53 1dfj n TYR 92 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1dfj h PRO 93 N 2.34 0.00 -6.07 2.98 0.13 -1.96 -3.50 132.00 125.93 1dfj h PRO 93 Ca -0.42 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.13 1dfj h PRO 93 Cb 1.32 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.34 1dfj h PRO 93 CO 0.62 0.00 0.82 -0.80 -0.23 0.00 0.00 178.00 178.41 1dfj s ASN 94 N -4.19 6.25 -0.10 1.44 0.01 0.92 -5.00 114.94 114.27 1dfj s ASN 94 Ca -0.03 -0.47 -0.04 0.00 -0.71 0.00 0.00 52.86 51.61 1dfj s ASN 94 Cb 0.07 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 1dfj s ASN 94 CO 0.23 -1.56 0.06 0.00 -1.51 0.00 0.00 177.10 174.33 1dfj s ALA 96 N -0.95 -0.27 0.07 0.00 0.00 -1.26 -4.98 121.76 114.35 1dfj s ALA 96 Ca 0.14 0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.30 1dfj s ALA 96 Cb -0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1dfj s ALA 96 CO 0.03 -0.10 -0.13 0.71 0.00 0.00 0.00 175.76 176.27 1dfj s TYR 97 N -0.42 1.09 -0.24 0.00 1.51 -1.26 -0.58 117.35 117.45 1dfj s TYR 97 Ca -0.05 -0.48 -0.08 0.00 -1.01 0.00 0.00 57.07 55.45 1dfj s TYR 97 Cb -0.03 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.16 1dfj s TYR 97 CO 0.00 0.02 0.09 0.21 -1.11 0.00 0.00 175.55 174.77 1dfj s LYS 98 N -1.76 3.78 -0.14 -0.62 2.20 0.43 -4.73 119.74 118.91 1dfj s LYS 98 Ca -0.03 -0.42 -0.16 0.00 -0.36 0.00 0.00 55.97 54.99 1dfj s LYS 98 Cb -0.10 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1dfj s LYS 98 CO 0.02 -0.07 0.40 0.99 -0.36 0.00 0.00 175.35 176.33 1dfj s THR 99 N 1.33 5.23 -0.09 3.43 2.01 -1.26 -2.64 115.64 123.66 1dfj s THR 99 Ca 0.05 0.79 -0.00 0.00 0.31 0.00 0.00 61.69 62.84 1dfj s THR 99 Cb -0.15 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.64 1dfj s THR 99 CO 0.04 0.34 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.36 1dfj s THR 100 N 0.63 0.83 0.24 -0.82 2.01 -1.06 -4.92 115.64 112.56 1dfj s THR 100 Ca 0.22 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 1dfj s THR 100 Cb -0.14 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1dfj s THR 100 CO 0.08 0.33 0.46 -1.58 -0.69 0.00 0.00 174.62 173.22 1dfj s GLN 101 N 1.56 3.57 -0.21 4.92 -0.44 -1.26 -0.93 119.66 126.86 1dfj s GLN 101 Ca 0.01 -0.20 -0.32 0.00 -2.50 0.00 0.00 55.36 52.35 1dfj s GLN 101 Cb -0.13 -2.75 0.15 0.00 -1.64 0.00 0.00 33.01 28.64 1dfj s GLN 101 CO -0.05 0.32 1.22 0.00 0.50 0.00 0.00 175.29 177.27 1dfj s ALA 102 N -1.97 -2.06 -0.25 1.58 0.00 -1.07 -4.94 121.76 113.05 1dfj s ALA 102 Ca 0.41 1.69 -0.04 0.00 0.00 0.00 0.00 51.96 54.01 1dfj s ALA 102 Cb -0.11 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1dfj s ALA 102 CO 0.30 -0.44 -0.00 -0.80 0.00 0.00 0.00 175.76 174.82 1dfj s ASN 103 N -1.63 4.59 0.22 0.00 -0.87 -1.26 -0.58 114.94 115.40 1dfj s ASN 103 Ca 0.07 -0.57 -0.11 0.00 -1.57 0.00 0.00 52.86 50.68 1dfj s ASN 103 Cb -0.01 -1.77 -0.01 0.00 -0.02 0.00 0.00 41.25 39.44 1dfj s ASN 103 CO -0.05 -0.09 0.39 -0.54 -2.57 0.00 0.00 177.10 174.24 1dfj s LYS 104 N 1.46 1.41 0.42 -0.60 1.02 -0.16 -4.82 119.74 118.47 1dfj s LYS 104 Ca 0.04 -1.27 -0.23 0.00 0.02 0.00 0.00 55.97 54.53 1dfj s LYS 104 Cb -0.16 0.42 -0.09 0.00 -0.52 0.00 0.00 37.83 37.49 1dfj s LYS 104 CO -0.01 -0.56 1.03 -1.01 -0.92 0.00 0.00 175.35 173.87 1dfj s HIS 105 N -4.02 3.23 -0.16 3.18 3.76 -1.25 0.11 115.29 120.12 1dfj s HIS 105 Ca 0.23 1.63 0.00 0.00 -0.15 0.00 0.00 55.06 56.78 1dfj s HIS 105 Cb 0.01 -3.07 0.03 0.00 1.11 0.00 0.00 32.58 30.67 1dfj s HIS 105 CO 0.07 -0.57 -0.10 0.96 -0.85 0.00 0.00 174.74 174.25 1dfj s ILE 106 N -1.80 1.43 0.09 0.60 -5.25 -1.26 -0.91 121.20 114.11 1dfj s ILE 106 Ca 0.60 -0.72 -0.21 0.00 -0.99 0.00 0.00 60.65 59.33 1dfj s ILE 106 Cb -0.19 -1.47 -0.07 0.00 2.95 0.00 0.00 42.46 43.69 1dfj s ILE 106 CO 0.24 0.28 0.62 -0.63 -1.79 0.00 0.00 174.94 173.66 1dfj s ILE 107 N 1.51 4.66 0.11 8.37 1.01 0.18 -2.83 121.20 134.22 1dfj s ILE 107 Ca 0.02 1.34 -0.07 0.00 0.00 0.00 0.00 60.65 61.94 1dfj s ILE 107 Cb -0.14 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 1dfj s ILE 107 CO -0.09 0.54 0.18 0.68 0.00 0.00 0.00 174.94 176.25 1dfj s VAL 108 N -1.06 0.12 0.05 2.92 -7.23 -1.05 -1.90 120.40 112.24 1dfj s VAL 108 Ca 0.31 -1.40 -0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1dfj s VAL 108 Cb -0.20 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 1dfj s VAL 108 CO 0.21 -0.55 0.22 0.00 -0.31 0.00 0.00 175.10 174.67 1dfj s ALA 109 N -3.92 3.97 0.06 1.32 0.00 -0.48 -1.54 121.76 121.17 1dfj s ALA 109 Ca 0.11 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.37 1dfj s ALA 109 Cb 0.05 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 1dfj s ALA 109 CO -0.06 0.78 -0.20 0.00 0.00 0.00 0.00 175.76 176.28 1dfj s GLU 111 N -1.37 0.22 1.63 0.00 2.12 -0.47 -4.90 118.70 115.92 1dfj s GLU 111 Ca 0.07 0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.82 1dfj s GLU 111 Cb -0.09 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.28 1dfj s GLU 111 CO 0.02 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 1dfj n GLY 112 N 3.69 -1.05 3.27 -1.50 0.00 -1.26 -3.94 105.19 104.40 1dfj n GLY 112 Ca -0.20 -1.46 0.03 0.00 0.00 0.00 0.00 46.02 44.39 1dfj n GLY 112 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dfj s ASN 113 N -4.00 -0.97 -0.31 1.61 0.01 -1.26 -3.76 114.94 106.27 1dfj s ASN 113 Ca 0.00 0.82 -0.42 0.00 -0.71 0.00 0.00 52.86 52.55 1dfj s ASN 113 Cb 0.00 1.90 -0.17 0.00 0.41 0.00 0.00 41.25 43.39 1dfj s ASN 113 CO 0.00 -0.18 1.67 -0.81 -1.51 0.00 0.00 177.10 176.26 1dfj n PRO 114 N 5.37 0.83 -2.17 -0.60 -0.04 -1.26 -5.05 135.00 132.07 1dfj n PRO 114 Ca -0.06 0.30 -0.31 0.00 -0.04 0.00 0.00 63.50 63.40 1dfj n PRO 114 Cb 0.52 -1.93 -0.05 0.00 -0.04 0.00 0.00 33.50 32.00 1dfj n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1dfj s TYR 115 N 3.12 2.11 0.30 0.54 5.04 -1.25 -4.87 117.35 122.35 1dfj s TYR 115 Ca 0.99 0.07 0.03 0.00 -2.44 0.00 0.00 57.07 55.72 1dfj s TYR 115 Cb -1.18 -4.14 -0.03 0.00 0.35 0.00 0.00 41.96 36.96 1dfj s TYR 115 CO 0.68 -1.32 0.46 0.14 -1.34 0.00 0.00 175.55 174.18 1dfj s VAL 116 N 9.74 5.04 0.17 3.14 -7.23 -1.25 -4.74 120.40 125.26 1dfj s VAL 116 Ca 0.66 -0.75 -0.23 0.00 -1.81 0.00 0.00 61.98 59.85 1dfj s VAL 116 Cb 0.00 -3.81 -0.08 0.00 0.56 0.00 0.00 36.38 33.05 1dfj s VAL 116 CO 0.12 -0.41 0.74 -2.16 -0.31 0.00 0.00 175.10 173.07 1dfj s PRO 117 N -4.16 4.44 -0.04 4.82 0.04 -1.26 -1.37 135.00 137.46 1dfj s PRO 117 Ca 0.38 1.03 0.06 0.00 0.04 0.00 0.00 61.00 62.51 1dfj s PRO 117 Cb -0.09 -3.15 0.09 0.00 0.04 0.00 0.00 34.50 31.38 1dfj s PRO 117 CO 0.33 0.53 1.04 1.33 0.04 0.00 0.00 177.00 180.26 1dfj n VAL 118 N 1.38 0.60 0.00 -0.36 0.24 0.17 -4.67 118.33 115.68 1dfj n VAL 118 Ca -0.05 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1dfj n VAL 118 Cb 0.50 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 1dfj n VAL 118 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1dfj n HIS 119 N -0.45 0.00 -2.85 6.34 -0.00 -1.25 -4.81 115.22 112.20 1dfj n HIS 119 Ca 0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.35 1dfj n HIS 119 Cb 0.67 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.63 1dfj n HIS 119 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 1dfj s PHE 120 N 0.00 3.40 -0.21 1.57 2.19 -1.26 -1.38 117.98 122.28 1dfj s PHE 120 Ca 0.00 1.28 -0.16 0.00 0.33 0.00 0.00 56.93 58.39 1dfj s PHE 120 Cb 0.00 -3.06 -0.09 0.00 -1.31 0.00 0.00 43.02 38.56 1dfj s PHE 120 CO 0.00 -0.29 -0.28 -3.47 1.83 0.00 0.00 175.22 173.01 1dfj n ASP 121 N 5.46 1.92 -3.63 6.13 2.03 -0.80 -4.98 116.55 122.69 1dfj n ASP 121 Ca 0.06 0.38 -0.02 0.00 0.52 0.00 0.00 54.79 55.73 1dfj n ASP 121 Cb 0.48 -0.80 -0.01 0.00 -0.72 0.00 0.00 41.12 40.07 1dfj n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dfj s ALA 122 N -2.70 -2.02 0.19 -1.67 0.00 -1.11 -5.00 121.76 109.44 1dfj s ALA 122 Ca -0.31 0.83 0.10 0.00 0.00 0.00 0.00 51.96 52.57 1dfj s ALA 122 Cb 0.08 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 1dfj s ALA 122 CO 0.44 -0.90 -0.13 -1.54 0.00 0.00 0.00 175.76 173.64 1dfj s SER 123 N -2.72 4.07 0.00 0.00 1.04 -1.26 0.48 113.70 115.31 1dfj s SER 123 Ca 0.11 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1dfj s SER 123 Cb 0.01 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1dfj s SER 123 CO -0.03 0.10 0.00 1.33 0.98 0.00 0.00 173.24 175.62