#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbw n GLU 2 N 0.00 1.74 -1.65 1.97 2.13 -1.26 -4.96 120.64 118.61 1rbw n GLU 2 Ca 0.00 0.62 -0.31 0.00 0.66 0.00 0.00 57.16 58.14 1rbw n GLU 2 Cb 0.00 -2.26 0.05 0.00 0.27 0.00 0.00 31.44 29.51 1rbw n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1rbw s THR 3 N 0.13 3.83 0.24 6.31 -4.23 -1.26 -4.86 115.64 115.80 1rbw s THR 3 Ca 0.73 0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 61.77 1rbw s THR 3 Cb -0.74 -3.41 0.24 0.00 1.34 0.00 0.00 72.50 69.93 1rbw s THR 3 CO 0.48 -0.78 1.91 0.00 -0.54 0.00 0.00 174.62 175.70 1rbw h ALA 4 N -0.74 1.21 -0.23 3.99 0.00 -1.94 0.57 119.26 122.12 1rbw h ALA 4 Ca -0.45 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1rbw h ALA 4 Cb 1.23 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1rbw h ALA 4 CO 0.59 0.57 0.12 0.00 0.00 0.00 0.00 179.25 180.53 1rbw h ALA 5 N 1.36 0.30 -0.48 0.00 0.00 -1.88 -0.23 119.26 118.32 1rbw h ALA 5 Ca 0.35 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1rbw h ALA 5 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1rbw h ALA 5 CO -0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 179.25 178.97 1rbw h ALA 6 N 0.99 1.04 -0.79 0.00 0.00 -1.82 -2.19 119.26 116.49 1rbw h ALA 6 Ca 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1rbw h ALA 6 Cb 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1rbw h ALA 6 CO -0.01 0.59 0.39 -0.22 0.00 0.00 0.00 179.25 180.00 1rbw h LYS 7 N 0.75 1.14 -0.35 0.00 3.64 -0.49 -1.11 116.57 120.15 1rbw h LYS 7 Ca 0.14 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1rbw h LYS 7 Cb 0.51 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1rbw h LYS 7 CO 0.03 0.87 0.18 0.35 -2.27 0.00 0.00 179.45 178.61 1rbw h PHE 8 N 1.12 0.34 -0.56 1.91 3.04 -0.55 0.39 116.94 122.63 1rbw h PHE 8 Ca 0.27 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.24 1rbw h PHE 8 Cb 0.10 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 1rbw h PHE 8 CO 0.01 0.19 0.37 0.93 -2.02 0.00 0.00 178.31 177.79 1rbw h GLU 9 N 0.38 0.75 -0.37 1.11 5.08 -0.92 0.75 114.58 121.36 1rbw h GLU 9 Ca 0.14 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1rbw h GLU 9 Cb 0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1rbw h GLU 9 CO -0.09 0.51 0.09 -0.09 -1.00 0.00 0.00 179.01 178.43 1rbw h ARG 10 N 0.76 0.59 0.00 2.33 2.43 -0.86 -1.68 114.38 117.96 1rbw h ARG 10 Ca 0.21 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 1rbw h ARG 10 Cb -0.07 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1rbw h ARG 10 CO -0.04 0.63 -0.62 1.96 -1.51 0.00 0.00 179.97 180.38 1rbw h GLN 11 N 0.45 0.00 0.00 0.20 4.20 -0.78 -3.42 115.11 115.76 1rbw h GLN 11 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1rbw h GLN 11 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1rbw h GLN 11 CO 0.00 0.62 -0.20 0.72 -0.67 0.00 0.00 178.83 179.30 1rbw n HIS 12 N -3.32 0.00 -3.61 2.96 8.25 0.24 -4.71 115.22 115.03 1rbw n HIS 12 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 1rbw n HIS 12 Cb 0.76 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.79 1rbw n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rbw s MET 13 N -0.89 4.16 -0.41 -0.41 -1.94 -0.63 0.71 119.30 119.88 1rbw s MET 13 Ca 0.00 0.01 0.06 0.00 -1.71 0.00 0.00 55.69 54.06 1rbw s MET 13 Cb 0.00 -3.39 0.22 0.00 2.01 0.00 0.00 34.83 33.67 1rbw s MET 13 CO 0.00 0.32 0.50 -3.47 -0.01 0.00 0.00 175.02 172.36 1rbw n ASP 14 N 3.34 -0.43 0.19 3.03 2.03 0.24 -4.85 116.55 120.10 1rbw n ASP 14 Ca -0.14 -2.64 0.14 0.00 0.52 0.00 0.00 54.79 52.68 1rbw n ASP 14 Cb 0.52 -0.33 0.58 0.00 -0.72 0.00 0.00 41.12 41.17 1rbw n ASP 14 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1rbw h SER 15 N 4.58 0.00 0.73 1.67 4.64 -1.72 -3.18 113.55 120.27 1rbw h SER 15 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1rbw h SER 15 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1rbw h SER 15 CO 0.40 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.82 1rbw n SER 16 N -2.57 0.00 -3.99 4.97 3.41 -1.26 -4.77 113.62 109.41 1rbw n SER 16 Ca 0.01 0.46 -0.13 0.00 -0.26 0.00 0.00 58.87 58.96 1rbw n SER 16 Cb 0.25 -0.48 -0.13 0.00 -0.26 0.00 0.00 64.21 63.60 1rbw n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rbw s THR 17 N -2.97 0.35 -0.05 6.66 -4.23 -1.20 -5.05 115.64 109.15 1rbw s THR 17 Ca 0.11 -0.66 0.14 0.00 -1.18 0.00 0.00 61.69 60.10 1rbw s THR 17 Cb 0.14 -0.39 0.01 0.00 1.34 0.00 0.00 72.50 73.61 1rbw s THR 17 CO 0.40 -0.21 1.45 -1.28 -0.54 0.00 0.00 174.62 174.43 1rbw h SER 18 N 5.17 0.00 -5.35 3.99 0.87 -1.86 -3.43 113.55 112.95 1rbw h SER 18 Ca -0.31 0.00 0.21 0.00 -1.23 0.00 0.00 61.79 60.46 1rbw h SER 18 Cb 1.20 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.06 1rbw h SER 18 CO 0.45 0.60 0.58 0.00 -0.53 0.00 0.00 176.83 177.93 1rbw s ALA 19 N -2.99 -1.83 0.02 6.23 0.00 -1.26 -4.82 121.76 117.11 1rbw s ALA 19 Ca 0.03 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 1rbw s ALA 19 Cb 0.09 0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.68 1rbw s ALA 19 CO 0.75 -1.00 1.26 0.00 0.00 0.00 0.00 175.76 176.77 1rbw s ALA 20 N -3.02 3.47 -0.80 0.00 0.00 -1.26 -4.94 121.76 115.21 1rbw s ALA 20 Ca 0.12 0.82 0.22 0.00 0.00 0.00 0.00 51.96 53.12 1rbw s ALA 20 Cb 0.00 -3.50 -0.14 0.00 0.00 0.00 0.00 23.12 19.49 1rbw s ALA 20 CO -0.01 -0.63 0.91 -1.13 0.00 0.00 0.00 175.76 174.90 1rbw n SER 21 N 4.53 0.75 -3.85 0.00 3.41 -1.26 -4.96 113.62 112.24 1rbw n SER 21 Ca 0.10 -0.67 -0.09 0.00 -0.26 0.00 0.00 58.87 57.95 1rbw n SER 21 Cb 0.45 1.04 -0.06 0.00 -0.26 0.00 0.00 64.21 65.39 1rbw n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rbw s SER 22 N -3.35 -0.04 0.51 4.04 1.04 -1.26 -5.03 113.70 109.61 1rbw s SER 22 Ca 0.05 -0.67 0.34 0.00 0.48 0.00 0.00 55.95 56.15 1rbw s SER 22 Cb 0.16 0.45 1.79 0.00 0.10 0.00 0.00 66.02 68.52 1rbw s SER 22 CO 0.85 -0.89 2.04 0.77 0.98 0.00 0.00 173.24 176.99 1rbw h SER 23 N 2.49 0.00 0.00 7.02 4.64 -1.94 -2.43 113.55 123.34 1rbw h SER 23 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1rbw h SER 23 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1rbw h SER 23 CO 0.48 0.00 -0.01 0.59 -0.87 0.00 0.00 176.83 177.01 1rbw n ASN 24 N -2.73 1.24 0.01 4.97 3.02 -1.26 -4.36 115.26 116.15 1rbw n ASN 24 Ca -0.02 -1.38 -0.10 0.00 -0.03 0.00 0.00 54.58 53.04 1rbw n ASN 24 Cb 0.09 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 1rbw n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1rbw h TYR 25 N 1.92 -0.80 -0.33 3.10 3.20 -1.84 -1.48 116.97 120.75 1rbw h TYR 25 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1rbw h TYR 25 Cb 0.42 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1rbw h TYR 25 CO 0.00 -0.38 0.22 0.00 -1.64 0.00 0.00 178.16 176.36 1rbw h ASN 27 N 0.45 0.03 -0.17 0.00 2.35 -1.74 0.34 115.58 116.84 1rbw h ASN 27 Ca 0.12 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1rbw h ASN 27 Cb -0.05 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1rbw h ASN 27 CO -0.03 0.05 0.05 1.56 -1.65 0.00 0.00 177.43 177.41 1rbw h GLN 28 N 0.23 0.27 -0.33 0.81 7.50 -0.81 -3.00 115.11 119.78 1rbw h GLN 28 Ca 0.20 -0.06 -0.16 0.00 0.50 0.00 0.00 58.65 59.13 1rbw h GLN 28 Cb 0.23 -0.04 -0.00 0.00 0.05 0.00 0.00 27.48 27.72 1rbw h GLN 28 CO -0.25 0.40 -0.42 0.52 -1.50 0.00 0.00 178.83 177.58 1rbw h MET 29 N 0.09 0.86 -0.94 1.46 2.86 -0.69 -1.10 114.93 117.48 1rbw h MET 29 Ca 0.05 -0.49 0.02 0.00 -2.06 0.00 0.00 59.70 57.22 1rbw h MET 29 Cb 0.25 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 1rbw h MET 29 CO -0.00 1.13 0.62 0.52 1.06 0.00 0.00 176.91 180.24 1rbw h MET 30 N 0.65 1.20 0.23 1.72 2.86 -1.01 -0.32 114.93 120.27 1rbw h MET 30 Ca 0.04 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1rbw h MET 30 Cb 1.02 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.41 1rbw h MET 30 CO 0.10 0.79 -0.11 -0.22 1.06 0.00 0.00 176.91 178.53 1rbw h LYS 31 N 1.23 -0.30 -0.01 1.72 3.11 -1.48 -1.08 116.57 119.77 1rbw h LYS 31 Ca 0.35 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.22 1rbw h LYS 31 Cb -0.09 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1rbw h LYS 31 CO -0.09 0.07 0.01 0.66 -2.81 0.00 0.00 179.45 177.29 1rbw h SER 32 N -0.83 0.00 -0.37 4.20 4.64 -1.07 -0.70 113.55 119.42 1rbw h SER 32 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1rbw h SER 32 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1rbw h SER 32 CO 0.05 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.55 1rbw n ARG 33 N -4.34 1.91 -2.37 4.77 5.12 -0.14 -4.93 116.66 116.67 1rbw n ARG 33 Ca -0.03 -1.40 -0.19 0.00 -1.93 0.00 0.00 57.85 54.30 1rbw n ARG 33 Cb 0.09 -1.32 -0.01 0.00 -1.16 0.00 0.00 32.46 30.07 1rbw n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1rbw n ASN 34 N 0.64 -5.44 0.02 0.55 5.03 -0.27 -4.86 115.26 110.93 1rbw n ASN 34 Ca 0.14 -0.02 0.13 0.00 0.87 0.00 0.00 54.58 55.69 1rbw n ASN 34 Cb 0.34 -4.48 0.40 0.00 -1.02 0.00 0.00 39.78 35.01 1rbw n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1rbw n LEU 35 N -2.72 0.35 -0.62 3.41 4.77 -0.41 -3.63 117.00 118.15 1rbw n LEU 35 Ca -0.22 0.27 0.07 0.00 -0.03 0.00 0.00 56.01 56.11 1rbw n LEU 35 Cb 0.67 -0.35 0.19 0.00 -2.33 0.00 0.00 43.42 41.60 1rbw n LEU 35 CO 0.26 0.03 0.65 0.35 -1.33 0.00 0.00 177.39 177.35 1rbw n THR 36 N -1.64 1.80 -0.02 -5.08 -2.24 -1.23 -3.86 114.28 102.02 1rbw n THR 36 Ca 0.06 -1.65 -0.11 0.00 -2.27 0.00 0.00 64.05 60.07 1rbw n THR 36 Cb 0.36 -0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 1rbw n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1rbw h LYS 37 N 1.41 0.15 0.00 -0.78 6.56 -1.90 -3.33 116.57 118.68 1rbw h LYS 37 Ca 0.00 -0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.54 1rbw h LYS 37 Cb 1.12 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.75 1rbw h LYS 37 CO 0.11 0.25 -1.90 -0.25 -2.06 0.00 0.00 179.45 175.60 1rbw n ASP 38 N -4.93 0.11 -3.60 0.86 8.00 -1.26 -5.03 116.55 110.70 1rbw n ASP 38 Ca -0.06 0.04 -0.03 0.00 0.71 0.00 0.00 54.79 55.46 1rbw n ASP 38 Cb 0.11 1.73 -0.02 0.00 -0.02 0.00 0.00 41.12 42.92 1rbw n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rbw s ARG 39 N -3.42 0.42 -0.48 -1.24 1.70 -1.25 -5.12 118.95 109.55 1rbw s ARG 39 Ca -0.07 -0.19 -0.29 0.00 -0.47 0.00 0.00 55.73 54.71 1rbw s ARG 39 Cb 0.13 0.17 0.03 0.00 -0.57 0.00 0.00 34.95 34.71 1rbw s ARG 39 CO 0.89 -0.19 1.18 0.00 -1.08 0.00 0.00 175.30 176.10 1rbw s LYS 41 N 4.58 4.18 0.22 0.00 2.20 -1.25 -4.90 119.74 124.76 1rbw s LYS 41 Ca 0.49 2.40 -0.08 0.00 -0.36 0.00 0.00 55.97 58.42 1rbw s LYS 41 Cb -0.08 -3.67 0.29 0.00 -1.51 0.00 0.00 37.83 32.86 1rbw s LYS 41 CO 0.31 -0.79 1.78 -1.35 -0.36 0.00 0.00 175.35 174.95 1rbw h PRO 42 N 8.66 0.56 -3.75 4.03 0.11 -1.95 -3.44 132.00 136.22 1rbw h PRO 42 Ca -0.44 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1rbw h PRO 42 Cb 1.21 -0.13 -0.20 0.00 0.11 0.00 0.00 31.00 31.99 1rbw h PRO 42 CO 0.94 0.37 -0.56 0.14 -0.21 0.00 0.00 178.00 178.68 1rbw s VAL 43 N -6.08 0.11 -0.15 3.15 -7.23 -1.26 -1.51 120.40 107.43 1rbw s VAL 43 Ca -0.13 -0.91 -0.29 0.00 -1.81 0.00 0.00 61.98 58.85 1rbw s VAL 43 Cb 0.17 -0.56 0.09 0.00 0.56 0.00 0.00 36.38 36.64 1rbw s VAL 43 CO 0.76 -0.50 0.78 0.21 -0.31 0.00 0.00 175.10 176.04 1rbw s ASN 44 N -1.67 -0.61 -0.10 4.85 2.47 -0.44 -5.01 114.94 114.43 1rbw s ASN 44 Ca -0.12 0.86 0.03 0.00 0.42 0.00 0.00 52.86 54.06 1rbw s ASN 44 Cb -0.06 0.77 0.01 0.00 -1.45 0.00 0.00 41.25 40.51 1rbw s ASN 44 CO -0.01 -0.43 -0.20 -0.89 -3.72 0.00 0.00 177.10 171.85 1rbw s THR 45 N -0.64 1.80 -0.03 -5.21 2.01 -1.26 -0.18 115.64 112.13 1rbw s THR 45 Ca -0.05 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.07 1rbw s THR 45 Cb -0.02 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1rbw s THR 45 CO 0.05 0.50 0.10 -0.36 -0.69 0.00 0.00 174.62 174.22 1rbw s PHE 46 N 0.58 3.37 -0.15 4.92 0.08 -0.26 -4.45 117.98 122.08 1rbw s PHE 46 Ca -0.14 0.28 -0.01 0.00 0.12 0.00 0.00 56.93 57.18 1rbw s PHE 46 Cb -0.17 -1.79 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1rbw s PHE 46 CO 0.04 0.59 -0.12 0.08 -0.10 0.00 0.00 175.22 175.71 1rbw s VAL 47 N -1.18 3.06 -1.04 -0.44 1.01 0.22 -1.05 120.40 120.98 1rbw s VAL 47 Ca 0.22 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1rbw s VAL 47 Cb -0.12 -2.30 0.31 0.00 0.00 0.00 0.00 36.38 34.27 1rbw s VAL 47 CO 0.13 0.51 1.56 1.41 0.00 0.00 0.00 175.10 178.70 1rbw n HIS 48 N 3.75 2.48 -4.11 5.22 -0.00 0.11 -0.59 115.22 122.08 1rbw n HIS 48 Ca -0.18 -2.65 -0.11 0.00 -0.00 0.00 0.00 57.72 54.78 1rbw n HIS 48 Cb 0.52 -1.19 -0.08 0.00 -0.00 0.00 0.00 29.99 29.24 1rbw n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1rbw s GLU 49 N -3.29 1.39 0.50 -0.41 0.41 -1.26 -4.62 118.70 111.42 1rbw s GLU 49 Ca 0.34 -1.47 -0.21 0.00 -0.41 0.00 0.00 54.97 53.22 1rbw s GLU 49 Cb 0.10 0.37 -0.07 0.00 -1.78 0.00 0.00 34.13 32.75 1rbw s GLU 49 CO 0.03 -0.52 1.12 -1.54 -0.49 0.00 0.00 175.26 173.85 1rbw s SER 50 N -3.10 6.02 0.23 -0.19 1.04 -1.26 -4.03 113.70 112.41 1rbw s SER 50 Ca 0.31 2.17 -0.06 0.00 0.48 0.00 0.00 55.95 58.85 1rbw s SER 50 Cb 0.03 -2.58 0.35 0.00 0.10 0.00 0.00 66.02 63.92 1rbw s SER 50 CO 0.11 -1.01 1.80 0.25 0.98 0.00 0.00 173.24 175.37 1rbw h LEU 51 N 1.60 0.59 -0.81 2.42 5.85 -1.98 -2.11 115.31 120.87 1rbw h LEU 51 Ca -0.50 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.35 1rbw h LEU 51 Cb 1.25 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.15 1rbw h LEU 51 CO 0.59 0.34 0.47 0.00 -0.34 0.00 0.00 178.44 179.50 1rbw h ALA 52 N 1.43 1.13 -0.10 1.25 0.00 -1.98 0.20 119.26 121.19 1rbw h ALA 52 Ca 0.36 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 1rbw h ALA 52 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1rbw h ALA 52 CO -0.24 0.14 -0.35 -0.44 0.00 0.00 0.00 179.25 178.37 1rbw h ASP 53 N 0.83 0.19 0.14 0.00 3.32 -1.77 -1.05 116.42 118.07 1rbw h ASP 53 Ca 0.37 -0.07 -0.28 0.00 0.02 0.00 0.00 57.03 57.08 1rbw h ASP 53 Cb 0.28 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 39.80 1rbw h ASP 53 CO -0.21 0.53 -1.15 0.58 -1.72 0.00 0.00 179.24 177.27 1rbw h VAL 54 N 0.16 1.30 -0.30 -1.35 2.07 -0.90 -3.20 116.25 114.04 1rbw h VAL 54 Ca 0.02 -2.42 -0.04 0.00 0.82 0.00 0.00 66.70 65.08 1rbw h VAL 54 Cb 0.69 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 33.02 1rbw h VAL 54 CO 0.05 0.74 0.01 1.56 0.02 0.00 0.00 177.57 179.95 1rbw h GLN 55 N 0.30 0.45 0.00 1.57 4.20 -0.41 -2.34 115.11 118.88 1rbw h GLN 55 Ca -0.16 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1rbw h GLN 55 Cb 1.81 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.52 1rbw h GLN 55 CO 0.22 0.47 -0.03 0.00 -0.67 0.00 0.00 178.83 178.82 1rbw h ALA 56 N 1.59 1.26 0.00 3.87 0.00 -1.19 -2.39 119.26 122.41 1rbw h ALA 56 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1rbw h ALA 56 Cb 0.27 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rbw h ALA 56 CO 0.01 0.03 -0.04 0.28 0.00 0.00 0.00 179.25 179.53 1rbw h VAL 57 N 0.00 0.44 0.00 0.00 2.07 -1.47 -1.56 116.25 115.73 1rbw h VAL 57 Ca -0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1rbw h VAL 57 Cb 0.11 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1rbw h VAL 57 CO 0.00 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.63 1rbw n SER 59 N -1.34 2.19 0.00 0.00 3.41 -0.59 -5.03 113.62 112.27 1rbw n SER 59 Ca 0.04 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.68 1rbw n SER 59 Cb 0.08 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1rbw n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rbw n GLN 60 N -1.31 1.80 -2.20 4.33 6.02 -0.12 -5.01 117.38 120.90 1rbw n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1rbw n GLN 60 Cb 0.62 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.86 1rbw n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rbw s LYS 61 N 4.60 3.61 -0.07 -1.09 2.20 -1.06 -4.86 119.74 123.07 1rbw s LYS 61 Ca 0.00 1.31 -0.30 0.00 -0.36 0.00 0.00 55.97 56.62 1rbw s LYS 61 Cb 0.00 -4.06 -0.02 0.00 -1.51 0.00 0.00 37.83 32.24 1rbw s LYS 61 CO 0.00 -1.51 1.02 1.21 -0.36 0.00 0.00 175.35 175.70 1rbw s ASN 62 N 4.46 7.26 0.06 1.43 3.04 -1.26 0.35 114.94 130.28 1rbw s ASN 62 Ca 0.69 1.59 -0.04 0.00 0.04 0.00 0.00 52.86 55.14 1rbw s ASN 62 Cb -0.20 -2.56 -0.02 0.00 -1.54 0.00 0.00 41.25 36.93 1rbw s ASN 62 CO 0.31 -0.41 0.06 0.68 -3.04 0.00 0.00 177.10 174.69 1rbw s VAL 63 N 1.77 0.18 0.29 -5.21 -7.23 -0.07 -4.94 120.40 105.19 1rbw s VAL 63 Ca 0.50 -1.51 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 1rbw s VAL 63 Cb -0.20 -1.39 -0.10 0.00 0.56 0.00 0.00 36.38 35.26 1rbw s VAL 63 CO 0.21 -0.83 1.14 0.00 -0.31 0.00 0.00 175.10 175.30 1rbw s ALA 64 N -3.76 3.42 0.99 1.32 0.00 -1.26 -3.00 121.76 119.49 1rbw s ALA 64 Ca 0.05 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 1rbw s ALA 64 Cb 0.06 -3.36 0.19 0.00 0.00 0.00 0.00 23.12 20.01 1rbw s ALA 64 CO -0.10 -0.25 1.09 0.00 0.00 0.00 0.00 175.76 176.51 1rbw h LYS 66 N -1.88 0.60 -0.08 0.00 3.64 -1.91 -0.75 116.57 116.18 1rbw h LYS 66 Ca -0.54 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 1rbw h LYS 66 Cb 1.33 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1rbw h LYS 66 CO 0.58 0.39 0.00 0.27 -2.27 0.00 0.00 179.45 178.42 1rbw n ASN 67 N -4.47 0.92 0.00 4.20 6.94 -1.26 -4.92 115.26 116.67 1rbw n ASN 67 Ca 0.05 -1.56 0.00 0.00 -0.02 0.00 0.00 54.58 53.05 1rbw n ASN 67 Cb 0.09 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 1rbw n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rbw n GLY 68 N 0.99 2.50 3.68 4.83 0.00 -0.29 -5.05 105.19 111.85 1rbw n GLY 68 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1rbw n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rbw n GLN 69 N -2.00 1.00 -0.42 1.61 6.02 -1.26 -4.57 117.38 117.75 1rbw n GLN 69 Ca 0.00 0.39 0.08 0.00 -0.01 0.00 0.00 57.00 57.46 1rbw n GLN 69 Cb 0.00 -2.40 0.26 0.00 1.02 0.00 0.00 30.24 29.13 1rbw n GLN 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1rbw n THR 70 N -1.91 1.69 -1.05 5.09 -2.24 -1.26 0.28 114.28 114.88 1rbw n THR 70 Ca 0.15 -1.33 -0.16 0.00 -2.27 0.00 0.00 64.05 60.44 1rbw n THR 70 Cb 0.48 0.14 0.22 0.00 -2.10 0.00 0.00 70.33 69.07 1rbw n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rbw n ASN 71 N 0.47 4.12 -4.93 3.42 6.94 -1.26 -4.74 115.26 119.26 1rbw n ASN 71 Ca 0.20 -3.38 -0.27 0.00 -0.02 0.00 0.00 54.58 51.10 1rbw n ASN 71 Cb 0.74 -0.79 -0.03 0.00 -2.36 0.00 0.00 39.78 37.34 1rbw n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rbw s TYR 73 N -1.74 0.10 -0.07 0.00 1.51 0.40 -0.89 117.35 116.64 1rbw s TYR 73 Ca 0.36 -0.20 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 1rbw s TYR 73 Cb -0.11 -0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.64 1rbw s TYR 73 CO 0.28 -0.08 -0.10 -1.14 -1.11 0.00 0.00 175.55 173.41 1rbw s GLN 74 N -0.58 2.79 0.28 -0.62 0.74 0.16 -1.16 119.66 121.26 1rbw s GLN 74 Ca -0.06 -0.61 -0.29 0.00 0.05 0.00 0.00 55.36 54.44 1rbw s GLN 74 Cb -0.04 -2.54 -0.10 0.00 1.10 0.00 0.00 33.01 31.43 1rbw s GLN 74 CO -0.00 0.58 1.33 -1.54 -0.55 0.00 0.00 175.29 175.10 1rbw s SER 75 N -0.59 6.79 0.16 6.67 1.04 -0.22 -2.57 113.70 124.98 1rbw s SER 75 Ca 0.09 2.60 -0.12 0.00 0.48 0.00 0.00 55.95 59.00 1rbw s SER 75 Cb -0.12 -2.63 0.06 0.00 0.10 0.00 0.00 66.02 63.43 1rbw s SER 75 CO 0.02 -0.55 1.71 1.88 0.98 0.00 0.00 173.24 177.27 1rbw h TYR 76 N 4.20 0.87 -1.71 5.02 0.05 -1.96 -3.44 116.97 120.01 1rbw h TYR 76 Ca -0.47 -0.08 -0.47 0.00 0.05 0.00 0.00 58.73 57.76 1rbw h TYR 76 Cb 1.22 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.68 1rbw h TYR 76 CO 0.58 0.72 -0.38 -1.54 -1.05 0.00 0.00 178.16 176.49 1rbw s SER 77 N -6.10 5.45 0.64 3.88 1.04 -1.26 -5.06 113.70 112.29 1rbw s SER 77 Ca -0.13 -0.47 -0.11 0.00 0.48 0.00 0.00 55.95 55.73 1rbw s SER 77 Cb 0.12 -0.91 -0.03 0.00 0.10 0.00 0.00 66.02 65.31 1rbw s SER 77 CO 0.79 -0.49 1.04 0.42 0.98 0.00 0.00 173.24 175.98 1rbw s THR 78 N -2.32 4.51 0.04 2.02 -4.23 -1.26 -4.49 115.64 109.91 1rbw s THR 78 Ca 0.45 0.81 0.01 0.00 -1.18 0.00 0.00 61.69 61.79 1rbw s THR 78 Cb -0.07 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 1rbw s THR 78 CO 0.29 -1.06 -0.05 -0.04 -0.54 0.00 0.00 174.62 173.21 1rbw s MET 79 N -5.16 0.49 -0.18 3.99 -1.94 0.12 -4.88 119.30 111.74 1rbw s MET 79 Ca 0.56 -0.81 -0.29 0.00 -1.71 0.00 0.00 55.69 53.43 1rbw s MET 79 Cb -0.12 -0.09 -0.01 0.00 2.01 0.00 0.00 34.83 36.63 1rbw s MET 79 CO 0.54 -0.01 1.19 0.45 -0.01 0.00 0.00 175.02 177.18 1rbw s SER 80 N -1.83 7.00 0.13 3.03 0.15 -1.26 -1.36 113.70 119.56 1rbw s SER 80 Ca -0.08 1.60 0.04 0.00 0.70 0.00 0.00 55.95 58.21 1rbw s SER 80 Cb -0.07 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 1rbw s SER 80 CO -0.02 -0.72 -0.10 0.27 1.20 0.00 0.00 173.24 173.87 1rbw s ILE 81 N 3.32 1.10 -0.12 6.45 -4.36 -0.20 -0.72 121.20 126.69 1rbw s ILE 81 Ca 0.51 -1.94 0.01 0.00 -0.26 0.00 0.00 60.65 58.97 1rbw s ILE 81 Cb -0.20 -1.72 0.02 0.00 1.25 0.00 0.00 42.46 41.82 1rbw s ILE 81 CO 0.12 -0.69 -0.13 -0.89 0.24 0.00 0.00 174.94 173.59 1rbw s THR 82 N -3.08 1.41 -0.11 8.37 2.01 -0.22 -1.27 115.64 122.75 1rbw s THR 82 Ca 0.14 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 61.43 1rbw s THR 82 Cb 0.01 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.16 1rbw s THR 82 CO 0.00 0.43 0.33 -1.81 -0.69 0.00 0.00 174.62 172.88 1rbw s ASP 83 N 1.23 6.56 -0.12 3.53 1.11 0.11 -1.11 116.67 127.98 1rbw s ASP 83 Ca -0.02 0.66 0.03 0.00 0.18 0.00 0.00 52.55 53.40 1rbw s ASP 83 Cb -0.14 -2.20 0.00 0.00 1.07 0.00 0.00 42.92 41.65 1rbw s ASP 83 CO -0.05 0.17 -0.21 0.00 1.18 0.00 0.00 175.17 176.26 1rbw s ARG 85 N 0.54 0.29 0.36 0.00 3.52 -0.91 -1.32 118.95 121.42 1rbw s ARG 85 Ca -0.13 0.02 -0.28 0.00 -0.13 0.00 0.00 55.73 55.21 1rbw s ARG 85 Cb -0.17 -0.41 -0.12 0.00 -1.56 0.00 0.00 34.95 32.69 1rbw s ARG 85 CO 0.04 -0.07 1.30 0.39 -0.81 0.00 0.00 175.30 176.15 1rbw n GLU 86 N 3.79 2.14 -2.64 5.12 1.02 -0.57 0.44 120.64 129.95 1rbw n GLU 86 Ca -0.23 0.75 -0.23 0.00 -0.02 0.00 0.00 57.16 57.43 1rbw n GLU 86 Cb 0.53 -2.37 0.03 0.00 -0.02 0.00 0.00 31.44 29.61 1rbw n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1rbw s THR 87 N -1.11 3.20 0.48 2.62 -4.23 -0.53 -4.76 115.64 111.31 1rbw s THR 87 Ca 0.56 -0.44 0.22 0.00 -1.18 0.00 0.00 61.69 60.86 1rbw s THR 87 Cb -0.55 -3.23 0.27 0.00 1.34 0.00 0.00 72.50 70.33 1rbw s THR 87 CO 0.62 -0.19 2.10 1.23 -0.54 0.00 0.00 174.62 177.84 1rbw h GLY 88 N 0.03 0.00 -0.45 3.99 0.00 -1.95 -2.17 103.07 102.52 1rbw h GLY 88 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1rbw h GLY 88 CO 0.56 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.54 1rbw n SER 89 N -4.03 1.39 -4.68 0.19 7.64 -1.26 -4.92 113.62 107.94 1rbw n SER 89 Ca -0.02 -1.54 -0.42 0.00 1.01 0.00 0.00 58.87 57.89 1rbw n SER 89 Cb 0.18 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 1rbw n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1rbw s SER 90 N -1.81 6.82 -0.12 6.43 0.15 -0.82 -4.83 113.70 119.52 1rbw s SER 90 Ca 0.36 2.12 -0.04 0.00 0.70 0.00 0.00 55.95 59.08 1rbw s SER 90 Cb 0.19 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 62.01 1rbw s SER 90 CO 0.30 -0.77 0.24 -0.75 1.20 0.00 0.00 173.24 173.47 1rbw s LYS 91 N 2.76 0.12 0.26 5.44 2.47 -0.82 -4.87 119.74 125.11 1rbw s LYS 91 Ca 0.65 0.71 -0.30 0.00 -1.56 0.00 0.00 55.97 55.48 1rbw s LYS 91 Cb -0.31 -0.08 -0.14 0.00 -1.46 0.00 0.00 37.83 35.84 1rbw s LYS 91 CO 0.26 -0.29 1.18 0.98 0.16 0.00 0.00 175.35 177.64 1rbw n TYR 92 N 5.34 1.65 1.82 4.03 9.36 -1.26 0.65 117.16 138.75 1rbw n TYR 92 Ca -0.06 0.61 0.15 0.00 3.32 0.00 0.00 57.90 61.93 1rbw n TYR 92 Cb 0.50 -2.33 0.81 0.00 -0.63 0.00 0.00 39.34 37.69 1rbw n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rbw n PRO 93 N 1.19 1.16 -2.50 2.98 -0.04 -1.26 -4.95 135.00 131.58 1rbw n PRO 93 Ca 0.10 -0.28 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 1rbw n PRO 93 Cb 0.31 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1rbw n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rbw n ASN 94 N -0.67 5.26 -4.74 3.54 3.02 0.21 -4.98 115.26 116.90 1rbw n ASN 94 Ca 0.22 -3.13 -0.41 0.00 -0.03 0.00 0.00 54.58 51.23 1rbw n ASN 94 Cb 0.19 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 37.86 1rbw n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rbw s ALA 96 N -0.05 1.30 0.09 0.00 0.00 -1.26 -4.92 121.76 116.92 1rbw s ALA 96 Ca 0.55 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.85 1rbw s ALA 96 Cb -0.35 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1rbw s ALA 96 CO 0.39 0.31 -0.12 0.71 0.00 0.00 0.00 175.76 177.05 1rbw s TYR 97 N -0.42 1.16 -0.22 0.00 1.51 -1.26 -1.45 117.35 116.68 1rbw s TYR 97 Ca 0.06 -0.57 -0.11 0.00 -1.01 0.00 0.00 57.07 55.44 1rbw s TYR 97 Cb -0.06 -0.64 -0.05 0.00 -0.11 0.00 0.00 41.96 41.10 1rbw s TYR 97 CO -0.00 0.05 0.18 0.21 -1.11 0.00 0.00 175.55 174.88 1rbw s LYS 98 N -2.40 4.14 -0.19 -0.62 2.47 0.17 -4.64 119.74 118.67 1rbw s LYS 98 Ca 0.03 -0.18 -0.14 0.00 -1.56 0.00 0.00 55.97 54.12 1rbw s LYS 98 Cb -0.06 -3.49 -0.04 0.00 -1.46 0.00 0.00 37.83 32.78 1rbw s LYS 98 CO 0.01 0.15 0.33 0.99 0.16 0.00 0.00 175.35 176.99 1rbw s THR 99 N 0.78 5.26 -0.16 3.43 2.01 -1.26 -2.15 115.64 123.55 1rbw s THR 99 Ca 0.10 0.58 -0.02 0.00 0.31 0.00 0.00 61.69 62.66 1rbw s THR 99 Cb -0.13 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.77 1rbw s THR 99 CO 0.02 0.32 0.01 -0.89 -0.69 0.00 0.00 174.62 173.40 1rbw s THR 100 N 0.92 0.61 0.15 -0.82 2.01 -0.37 -4.98 115.64 113.16 1rbw s THR 100 Ca 0.17 -0.43 -0.19 0.00 0.31 0.00 0.00 61.69 61.55 1rbw s THR 100 Cb -0.14 -0.98 -0.07 0.00 0.01 0.00 0.00 72.50 71.32 1rbw s THR 100 CO 0.06 -0.04 0.65 -1.58 -0.69 0.00 0.00 174.62 173.01 1rbw s GLN 101 N 1.83 4.22 0.26 4.92 2.00 -1.26 0.10 119.66 131.73 1rbw s GLN 101 Ca 0.01 0.78 -0.21 0.00 -2.00 0.00 0.00 55.36 53.93 1rbw s GLN 101 Cb -0.16 -3.05 0.03 0.00 0.80 0.00 0.00 33.01 30.64 1rbw s GLN 101 CO -0.07 0.51 0.78 0.00 -0.50 0.00 0.00 175.29 176.01 1rbw s ALA 102 N -1.34 -1.29 -0.25 1.58 0.00 -0.40 -4.96 121.76 115.11 1rbw s ALA 102 Ca 0.37 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.08 1rbw s ALA 102 Cb -0.18 0.79 0.07 0.00 0.00 0.00 0.00 23.12 23.80 1rbw s ALA 102 CO 0.21 -1.04 -0.03 -0.80 0.00 0.00 0.00 175.76 174.10 1rbw s ASN 103 N -2.95 3.88 0.17 0.00 0.01 -1.26 -1.03 114.94 113.76 1rbw s ASN 103 Ca 0.12 -1.27 -0.03 0.00 -0.71 0.00 0.00 52.86 50.97 1rbw s ASN 103 Cb -0.05 -1.15 -0.03 0.00 0.41 0.00 0.00 41.25 40.43 1rbw s ASN 103 CO 0.06 -0.27 0.14 -0.54 -1.51 0.00 0.00 177.10 174.98 1rbw s LYS 104 N 1.41 1.09 0.44 -0.60 1.02 -0.47 -4.78 119.74 117.85 1rbw s LYS 104 Ca -0.03 -1.46 -0.20 0.00 0.02 0.00 0.00 55.97 54.30 1rbw s LYS 104 Cb -0.19 0.28 -0.10 0.00 -0.52 0.00 0.00 37.83 37.30 1rbw s LYS 104 CO -0.08 -0.35 0.94 -1.01 -0.92 0.00 0.00 175.35 173.93 1rbw s HIS 105 N -4.08 3.34 0.21 3.18 3.76 -1.26 0.13 115.29 120.57 1rbw s HIS 105 Ca 0.28 1.56 0.10 0.00 -0.15 0.00 0.00 55.06 56.86 1rbw s HIS 105 Cb 0.06 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.89 1rbw s HIS 105 CO 0.06 -0.14 -0.13 0.96 -0.85 0.00 0.00 174.74 174.64 1rbw s ILE 106 N -2.24 2.96 -0.11 0.60 -4.36 -1.26 -0.36 121.20 116.42 1rbw s ILE 106 Ca 0.61 -1.88 0.01 0.00 -0.26 0.00 0.00 60.65 59.13 1rbw s ILE 106 Cb -0.09 -2.49 0.02 0.00 1.25 0.00 0.00 42.46 41.15 1rbw s ILE 106 CO 0.16 -0.19 -0.13 -0.63 0.24 0.00 0.00 174.94 174.39 1rbw s ILE 107 N -1.91 1.37 0.18 8.37 1.01 0.76 -1.06 121.20 129.92 1rbw s ILE 107 Ca 0.26 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.43 1rbw s ILE 107 Cb -0.08 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1rbw s ILE 107 CO 0.15 0.42 -0.14 0.68 0.00 0.00 0.00 174.94 176.04 1rbw s VAL 108 N 1.15 1.60 -0.12 2.92 -7.23 -0.31 -0.37 120.40 118.05 1rbw s VAL 108 Ca -0.04 -2.07 -0.06 0.00 -1.81 0.00 0.00 61.98 58.01 1rbw s VAL 108 Cb -0.14 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1rbw s VAL 108 CO -0.03 -0.55 0.10 0.00 -0.31 0.00 0.00 175.10 174.31 1rbw s ALA 109 N -2.75 3.71 0.13 1.32 0.00 -0.02 -0.46 121.76 123.69 1rbw s ALA 109 Ca 0.18 -0.69 0.10 0.00 0.00 0.00 0.00 51.96 51.55 1rbw s ALA 109 Cb -0.02 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1rbw s ALA 109 CO 0.05 0.56 -0.23 0.00 0.00 0.00 0.00 175.76 176.15 1rbw s GLU 111 N -2.19 1.10 0.32 0.00 -1.05 -0.60 -4.91 118.70 111.36 1rbw s GLU 111 Ca 0.12 -0.53 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 1rbw s GLU 111 Cb -0.09 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 1rbw s GLU 111 CO 0.06 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.19 1rbw n GLY 112 N -0.38 -2.49 2.71 -3.83 0.00 -1.26 -2.35 105.19 97.59 1rbw n GLY 112 Ca -0.08 -1.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.03 1rbw n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rbw s ASN 113 N -2.67 1.63 0.55 1.61 3.84 -1.26 -2.49 114.94 116.16 1rbw s ASN 113 Ca 0.00 -0.30 -0.21 0.00 0.21 0.00 0.00 52.86 52.56 1rbw s ASN 113 Cb 0.00 0.18 -0.05 0.00 -0.55 0.00 0.00 41.25 40.82 1rbw s ASN 113 CO 0.00 -0.33 1.22 -0.81 -2.79 0.00 0.00 177.10 174.40 1rbw n PRO 114 N 5.31 1.45 -2.31 0.43 -0.04 -1.26 -5.08 135.00 133.50 1rbw n PRO 114 Ca -0.06 0.54 -0.39 0.00 -0.04 0.00 0.00 63.50 63.55 1rbw n PRO 114 Cb 0.49 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 1rbw n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1rbw s TYR 115 N -1.34 2.01 0.34 0.54 5.04 -1.04 -4.88 117.35 118.02 1rbw s TYR 115 Ca 0.72 0.29 0.06 0.00 -2.44 0.00 0.00 57.07 55.69 1rbw s TYR 115 Cb -0.43 -4.38 -0.07 0.00 0.35 0.00 0.00 41.96 37.43 1rbw s TYR 115 CO 0.49 -2.15 0.01 0.14 -1.34 0.00 0.00 175.55 172.70 1rbw s VAL 116 N 7.33 1.58 0.32 3.14 -7.23 -0.99 -4.82 120.40 119.72 1rbw s VAL 116 Ca 0.51 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 58.35 1rbw s VAL 116 Cb -0.09 -2.75 -0.10 0.00 0.56 0.00 0.00 36.38 34.00 1rbw s VAL 116 CO 0.15 -0.09 1.27 -2.84 -0.31 0.00 0.00 175.10 173.28 1rbw s PRO 117 N -3.79 4.41 0.00 4.82 0.02 -1.26 -1.56 135.00 137.64 1rbw s PRO 117 Ca 0.34 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.50 1rbw s PRO 117 Cb 0.07 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.50 1rbw s PRO 117 CO 0.15 -0.12 0.03 1.33 -0.33 0.00 0.00 177.00 178.07 1rbw n VAL 118 N 0.94 0.00 -3.69 3.83 0.24 0.23 -4.50 118.33 115.39 1rbw n VAL 118 Ca 0.00 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 1rbw n VAL 118 Cb 0.42 1.07 -0.09 0.00 -1.47 0.00 0.00 33.84 33.77 1rbw n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1rbw s HIS 119 N -0.43 -0.61 -0.30 6.34 5.65 -1.19 -4.65 115.29 120.11 1rbw s HIS 119 Ca 0.00 1.43 -0.16 0.00 0.25 0.00 0.00 55.06 56.58 1rbw s HIS 119 Cb 0.00 0.24 -0.02 0.00 -1.18 0.00 0.00 32.58 31.61 1rbw s HIS 119 CO 0.00 -0.30 0.43 0.12 -0.65 0.00 0.00 174.74 174.34 1rbw s PHE 120 N 0.53 3.23 -0.17 3.88 2.19 -1.26 -0.84 117.98 125.54 1rbw s PHE 120 Ca -0.02 0.35 -0.13 0.00 0.33 0.00 0.00 56.93 57.45 1rbw s PHE 120 Cb -0.04 -2.70 -0.22 0.00 -1.31 0.00 0.00 43.02 38.74 1rbw s PHE 120 CO -0.03 -0.34 0.26 -3.47 1.83 0.00 0.00 175.22 173.47 1rbw n ASP 121 N 5.48 2.00 -3.59 6.13 2.03 0.51 -4.96 116.55 124.14 1rbw n ASP 121 Ca -0.07 0.30 0.02 0.00 0.52 0.00 0.00 54.79 55.57 1rbw n ASP 121 Cb 0.50 -0.90 -0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1rbw n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rbw s ALA 122 N -2.47 -2.35 -0.02 -1.67 0.00 -1.07 -4.92 121.76 109.26 1rbw s ALA 122 Ca -0.26 0.88 0.05 0.00 0.00 0.00 0.00 51.96 52.63 1rbw s ALA 122 Cb 0.07 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 1rbw s ALA 122 CO 0.68 -1.02 -0.16 -1.54 0.00 0.00 0.00 175.76 173.72 1rbw s SER 123 N -2.93 1.88 0.00 0.00 1.04 -1.26 -0.17 113.70 112.25 1rbw s SER 123 Ca 0.14 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1rbw s SER 123 Cb 0.06 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1rbw s SER 123 CO -0.05 0.17 0.12 1.33 0.98 0.00 0.00 173.24 175.80