#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rnx s GLU 2 N 0.00 4.67 0.83 -1.58 2.12 -1.26 -5.03 118.70 118.45 1rnx s GLU 2 Ca 0.00 1.54 -0.11 0.00 0.36 0.00 0.00 54.97 56.76 1rnx s GLU 2 Cb 0.00 -3.34 0.09 0.00 0.26 0.00 0.00 34.13 31.14 1rnx s GLU 2 CO 0.00 0.18 1.09 0.95 -0.54 0.00 0.00 175.26 176.94 1rnx s THR 3 N -0.11 3.03 0.23 -1.70 -4.23 -1.26 -4.85 115.64 106.75 1rnx s THR 3 Ca 0.48 0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 61.25 1rnx s THR 3 Cb -0.25 -2.90 0.20 0.00 1.34 0.00 0.00 72.50 70.89 1rnx s THR 3 CO 0.31 -0.44 1.85 0.00 -0.54 0.00 0.00 174.62 175.80 1rnx h ALA 4 N -1.27 1.15 -0.48 3.99 0.00 -1.95 -1.75 119.26 118.94 1rnx h ALA 4 Ca -0.47 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1rnx h ALA 4 Cb 1.26 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1rnx h ALA 4 CO 0.55 0.67 -0.12 0.00 0.00 0.00 0.00 179.25 180.34 1rnx h ALA 5 N 1.26 0.66 -0.33 0.00 0.00 -1.90 -2.42 119.26 116.52 1rnx h ALA 5 Ca 0.31 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1rnx h ALA 5 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1rnx h ALA 5 CO -0.05 0.57 -0.26 0.00 0.00 0.00 0.00 179.25 179.51 1rnx h ALA 6 N 0.88 0.92 -0.52 0.00 0.00 -1.85 -2.20 119.26 116.49 1rnx h ALA 6 Ca 0.12 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1rnx h ALA 6 Cb 0.68 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1rnx h ALA 6 CO 0.05 0.62 -0.02 -0.22 0.00 0.00 0.00 179.25 179.68 1rnx h LYS 7 N 0.59 0.89 -0.44 0.00 3.64 -1.23 -1.37 116.57 118.65 1rnx h LYS 7 Ca 0.08 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1rnx h LYS 7 Cb 0.75 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1rnx h LYS 7 CO 0.06 0.90 0.13 0.35 -2.27 0.00 0.00 179.45 178.61 1rnx h PHE 8 N 0.82 0.72 -0.22 1.91 3.04 -1.18 -0.89 116.94 121.13 1rnx h PHE 8 Ca 0.15 -0.08 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 1rnx h PHE 8 Cb 0.52 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 1rnx h PHE 8 CO 0.03 0.65 0.13 0.93 -2.02 0.00 0.00 178.31 178.03 1rnx h GLU 9 N 0.57 0.30 -0.28 1.11 5.08 -1.14 -0.65 114.58 119.57 1rnx h GLU 9 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1rnx h GLU 9 Cb 0.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1rnx h GLU 9 CO -0.00 0.25 0.18 -0.09 -1.00 0.00 0.00 179.01 178.35 1rnx h ARG 10 N 0.27 0.36 0.00 2.33 2.43 -1.17 -1.19 114.38 117.41 1rnx h ARG 10 Ca 0.08 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 1rnx h ARG 10 Cb 0.03 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1rnx h ARG 10 CO -0.01 0.24 -0.73 1.96 -1.51 0.00 0.00 179.97 179.91 1rnx h GLN 11 N 0.37 0.00 0.00 0.20 4.20 -1.11 -3.40 115.11 115.36 1rnx h GLN 11 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1rnx h GLN 11 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1rnx h GLN 11 CO -0.03 0.73 0.00 0.72 -0.67 0.00 0.00 178.83 179.59 1rnx n HIS 12 N -3.52 0.00 -3.60 2.96 8.25 -0.26 -4.69 115.22 114.35 1rnx n HIS 12 Ca -0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 1rnx n HIS 12 Cb 0.75 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.78 1rnx n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rnx s MET 13 N -0.87 4.17 -0.41 -0.41 -1.94 -0.45 0.23 119.30 119.63 1rnx s MET 13 Ca 0.00 -0.08 0.07 0.00 -1.71 0.00 0.00 55.69 53.96 1rnx s MET 13 Cb 0.00 -3.47 0.22 0.00 2.01 0.00 0.00 34.83 33.59 1rnx s MET 13 CO 0.00 0.16 0.47 -3.47 -0.01 0.00 0.00 175.02 172.17 1rnx n ASP 14 N 3.90 0.10 0.00 3.03 2.03 -0.33 -4.87 116.55 120.40 1rnx n ASP 14 Ca -0.13 -2.62 0.14 0.00 0.52 0.00 0.00 54.79 52.70 1rnx n ASP 14 Cb 0.52 -0.61 0.71 0.00 -0.72 0.00 0.00 41.12 41.01 1rnx n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1rnx n SER 15 N 1.84 0.00 0.10 1.67 7.64 -1.26 -3.65 113.62 119.97 1rnx n SER 15 Ca 0.24 -0.14 0.13 0.00 1.01 0.00 0.00 58.87 60.11 1rnx n SER 15 Cb 0.51 -0.27 0.43 0.00 -1.01 0.00 0.00 64.21 63.86 1rnx n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rnx n SER 16 N -1.27 0.75 -4.22 6.43 3.41 -1.26 -4.76 113.62 112.69 1rnx n SER 16 Ca 0.14 0.59 -0.22 0.00 -0.26 0.00 0.00 58.87 59.12 1rnx n SER 16 Cb 0.22 -0.78 -0.13 0.00 -0.26 0.00 0.00 64.21 63.26 1rnx n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rnx s THR 17 N -3.13 1.42 -0.79 6.66 -4.23 -1.24 -5.04 115.64 109.29 1rnx s THR 17 Ca 0.10 -1.34 0.25 0.00 -1.18 0.00 0.00 61.69 59.51 1rnx s THR 17 Cb 0.12 -1.30 0.03 0.00 1.34 0.00 0.00 72.50 72.70 1rnx s THR 17 CO 0.56 -0.07 1.37 -1.54 -0.54 0.00 0.00 174.62 174.39 1rnx n SER 18 N 1.36 0.59 -3.56 3.99 3.41 -1.26 -4.69 113.62 113.46 1rnx n SER 18 Ca -0.20 -0.01 -0.08 0.00 -0.26 0.00 0.00 58.87 58.33 1rnx n SER 18 Cb 0.54 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.65 1rnx n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rnx s ALA 19 N -3.10 -1.94 -0.04 7.33 0.00 -1.26 -4.84 121.76 117.91 1rnx s ALA 19 Ca 0.08 1.40 -0.30 0.00 0.00 0.00 0.00 51.96 53.15 1rnx s ALA 19 Cb 0.15 -0.20 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 1rnx s ALA 19 CO 0.71 -0.52 1.70 0.00 0.00 0.00 0.00 175.76 177.65 1rnx s ALA 20 N -2.17 3.61 0.00 0.00 0.00 -1.26 -4.93 121.76 117.01 1rnx s ALA 20 Ca 0.04 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1rnx s ALA 20 Cb -0.01 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1rnx s ALA 20 CO -0.04 -1.42 0.61 -1.13 0.00 0.00 0.00 175.76 173.78 1rnx n SER 21 N 7.16 0.00 -4.69 0.00 3.41 -1.26 -4.94 113.62 113.30 1rnx n SER 21 Ca 0.18 0.75 -0.28 0.00 -0.26 0.00 0.00 58.87 59.26 1rnx n SER 21 Cb 0.42 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1rnx n SER 21 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1rnx n SER 22 N -1.76 2.94 0.00 4.04 3.41 -1.26 -5.01 113.62 115.98 1rnx n SER 22 Ca 0.00 -2.95 0.14 0.00 -0.26 0.00 0.00 58.87 55.80 1rnx n SER 22 Cb 0.00 0.10 0.77 0.00 -0.26 0.00 0.00 64.21 64.82 1rnx n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1rnx n SER 23 N -1.65 0.00 -0.57 4.04 3.41 -1.26 -2.61 113.62 114.98 1rnx n SER 23 Ca -0.09 -0.37 0.12 0.00 -0.26 0.00 0.00 58.87 58.27 1rnx n SER 23 Cb 0.61 -0.20 0.17 0.00 -0.26 0.00 0.00 64.21 64.53 1rnx n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rnx n ASN 24 N -1.20 2.03 -0.10 4.04 3.02 -1.26 -4.44 115.26 117.35 1rnx n ASN 24 Ca 0.16 -1.53 -0.06 0.00 -0.03 0.00 0.00 54.58 53.13 1rnx n ASN 24 Cb 0.19 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1rnx n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1rnx h TYR 25 N 2.80 -0.36 -0.74 3.10 5.03 -1.90 -2.20 116.97 122.70 1rnx h TYR 25 Ca 0.00 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1rnx h TYR 25 Cb 0.74 0.21 -0.03 0.00 1.55 0.00 0.00 36.73 39.20 1rnx h TYR 25 CO 0.00 -0.23 0.32 0.00 -1.32 0.00 0.00 178.16 176.94 1rnx h ASN 27 N 1.06 1.04 0.07 0.00 -0.26 -1.68 -0.92 115.58 114.88 1rnx h ASN 27 Ca 0.25 -0.18 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1rnx h ASN 27 Cb 0.16 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1rnx h ASN 27 CO -0.03 0.94 -0.03 1.56 -1.06 0.00 0.00 177.43 178.81 1rnx h GLN 28 N 1.07 -0.09 -0.30 0.81 4.20 -1.15 -2.95 115.11 116.70 1rnx h GLN 28 Ca 0.24 0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.81 1rnx h GLN 28 Cb 0.24 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1rnx h GLN 28 CO -0.02 0.21 -0.43 0.52 -0.67 0.00 0.00 178.83 178.44 1rnx h MET 29 N -0.40 0.76 -0.16 1.46 2.86 -1.07 -0.89 114.93 117.49 1rnx h MET 29 Ca -0.01 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.18 1rnx h MET 29 Cb 0.35 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1rnx h MET 29 CO 0.02 1.04 -0.04 0.52 1.06 0.00 0.00 176.91 179.50 1rnx h MET 30 N 0.61 0.24 0.02 1.72 2.86 -1.24 -1.44 114.93 117.71 1rnx h MET 30 Ca 0.04 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1rnx h MET 30 Cb 0.99 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1rnx h MET 30 CO 0.09 0.30 -0.01 -0.22 1.06 0.00 0.00 176.91 178.14 1rnx h LYS 31 N 0.24 -0.03 0.00 1.72 3.64 -1.30 -0.13 116.57 120.71 1rnx h LYS 31 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1rnx h LYS 31 Cb 0.23 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1rnx h LYS 31 CO 0.01 0.72 0.00 -1.13 -2.27 0.00 0.00 179.45 176.78 1rnx n SER 32 N -4.71 0.60 -1.06 4.20 3.41 -0.36 -1.15 113.62 114.54 1rnx n SER 32 Ca -0.08 0.67 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 1rnx n SER 32 Cb 0.37 -0.79 0.26 0.00 -0.26 0.00 0.00 64.21 63.79 1rnx n SER 32 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1rnx n ARG 33 N -2.18 2.37 -2.89 4.33 5.12 -0.55 -4.95 116.66 117.92 1rnx n ARG 33 Ca 0.02 -2.09 -0.15 0.00 -1.93 0.00 0.00 57.85 53.70 1rnx n ARG 33 Cb 0.19 -1.49 0.03 0.00 -1.16 0.00 0.00 32.46 30.04 1rnx n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1rnx n ASN 34 N 1.27 -4.74 -0.59 0.55 3.02 -0.30 -4.88 115.26 109.59 1rnx n ASN 34 Ca 0.19 -0.24 0.13 0.00 -0.03 0.00 0.00 54.58 54.63 1rnx n ASN 34 Cb 0.54 -3.54 0.27 0.00 -0.61 0.00 0.00 39.78 36.44 1rnx n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rnx n LEU 35 N -2.99 1.98 -0.30 3.41 4.77 -0.06 -3.89 117.00 119.91 1rnx n LEU 35 Ca -0.06 -0.66 0.08 0.00 -0.03 0.00 0.00 56.01 55.35 1rnx n LEU 35 Cb 0.57 -0.02 0.17 0.00 -2.33 0.00 0.00 43.42 41.81 1rnx n LEU 35 CO 0.35 0.34 0.48 0.35 -1.33 0.00 0.00 177.39 177.58 1rnx n THR 36 N 0.35 2.03 0.01 -5.08 -2.24 -1.20 -2.58 114.28 105.56 1rnx n THR 36 Ca 0.14 -2.69 -0.00 0.00 -2.27 0.00 0.00 64.05 59.23 1rnx n THR 36 Cb 0.45 -0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1rnx n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1rnx h LYS 37 N 0.43 -0.02 0.00 -0.78 3.64 -1.89 -3.37 116.57 114.57 1rnx h LYS 37 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1rnx h LYS 37 Cb 1.00 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1rnx h LYS 37 CO 0.00 -0.02 -0.95 -0.44 -2.27 0.00 0.00 179.45 175.77 1rnx h ASP 38 N -0.03 0.00 -5.13 4.20 3.32 -1.88 -3.48 116.42 113.42 1rnx h ASP 38 Ca -0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.08 1rnx h ASP 38 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1rnx h ASP 38 CO 0.00 0.18 0.37 0.00 -1.72 0.00 0.00 179.24 178.08 1rnx s ARG 39 N -3.21 1.97 -0.32 3.56 1.04 -1.26 -5.08 118.95 115.65 1rnx s ARG 39 Ca 0.00 -1.27 -0.20 0.00 -1.04 0.00 0.00 55.73 53.23 1rnx s ARG 39 Cb 0.09 0.55 -0.01 0.00 -2.04 0.00 0.00 34.95 33.54 1rnx s ARG 39 CO 0.78 -0.92 0.60 0.00 -0.04 0.00 0.00 175.30 175.72 1rnx s LYS 41 N 2.57 4.28 0.22 0.00 2.20 -1.07 -4.91 119.74 123.04 1rnx s LYS 41 Ca 0.23 2.06 -0.06 0.00 -0.36 0.00 0.00 55.97 57.85 1rnx s LYS 41 Cb -0.15 -3.46 0.20 0.00 -1.51 0.00 0.00 37.83 32.92 1rnx s LYS 41 CO 0.12 -0.55 1.72 -1.00 -0.36 0.00 0.00 175.35 175.29 1rnx h PRO 42 N 7.53 0.97 -3.93 4.03 0.13 -1.94 -3.44 132.00 135.35 1rnx h PRO 42 Ca -0.40 -0.26 -0.27 0.00 -0.87 0.00 0.00 66.00 64.19 1rnx h PRO 42 Cb 1.19 -0.11 -0.29 0.00 0.13 0.00 0.00 31.00 31.92 1rnx h PRO 42 CO 0.89 0.93 -0.73 0.08 -0.23 0.00 0.00 178.00 178.93 1rnx s VAL 43 N -5.10 0.16 -0.21 1.56 1.01 -1.26 -1.38 120.40 115.18 1rnx s VAL 43 Ca -0.11 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 1rnx s VAL 43 Cb 0.14 -0.15 0.06 0.00 0.00 0.00 0.00 36.38 36.43 1rnx s VAL 43 CO 0.83 0.05 0.54 0.21 0.00 0.00 0.00 175.10 176.74 1rnx s ASN 44 N 0.06 -0.61 -0.10 3.32 2.47 0.16 -5.01 114.94 115.22 1rnx s ASN 44 Ca -0.00 1.12 0.00 0.00 0.42 0.00 0.00 52.86 54.40 1rnx s ASN 44 Cb -0.02 1.09 -0.02 0.00 -1.45 0.00 0.00 41.25 40.85 1rnx s ASN 44 CO -0.00 -0.20 -0.10 -0.89 -3.72 0.00 0.00 177.10 172.19 1rnx s THR 45 N 0.66 3.34 -0.08 -5.21 2.01 -1.26 -0.88 115.64 114.22 1rnx s THR 45 Ca -0.03 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 1rnx s THR 45 Cb -0.05 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1rnx s THR 45 CO -0.04 0.55 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.06 1rnx s PHE 46 N -0.15 3.10 -0.18 4.92 0.08 -0.15 -4.33 117.98 121.25 1rnx s PHE 46 Ca 0.00 0.14 -0.05 0.00 0.12 0.00 0.00 56.93 57.15 1rnx s PHE 46 Cb -0.13 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 1rnx s PHE 46 CO 0.03 0.44 -0.01 0.08 -0.10 0.00 0.00 175.22 175.65 1rnx s VAL 47 N -0.88 3.93 -1.00 -0.44 1.01 0.14 -0.77 120.40 122.40 1rnx s VAL 47 Ca 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1rnx s VAL 47 Cb -0.11 -2.76 0.32 0.00 0.00 0.00 0.00 36.38 33.83 1rnx s VAL 47 CO 0.03 0.45 1.85 1.41 0.00 0.00 0.00 175.10 178.84 1rnx n HIS 48 N 4.00 2.81 -4.25 5.22 -0.00 0.33 -1.19 115.22 122.15 1rnx n HIS 48 Ca -0.17 -2.54 -0.14 0.00 -0.00 0.00 0.00 57.72 54.87 1rnx n HIS 48 Cb 0.52 -1.19 -0.10 0.00 -0.00 0.00 0.00 29.99 29.22 1rnx n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1rnx s GLU 49 N -4.29 1.17 0.73 -0.41 0.41 -1.26 -4.58 118.70 110.46 1rnx s GLU 49 Ca 0.41 -1.59 -0.13 0.00 -0.41 0.00 0.00 54.97 53.25 1rnx s GLU 49 Cb 0.23 -0.15 0.03 0.00 -1.78 0.00 0.00 34.13 32.46 1rnx s GLU 49 CO -0.17 -0.21 1.11 -1.54 -0.49 0.00 0.00 175.26 173.96 1rnx s SER 50 N -3.19 4.65 0.21 -0.19 1.04 -1.26 -4.28 113.70 110.67 1rnx s SER 50 Ca 0.29 1.98 -0.09 0.00 0.48 0.00 0.00 55.95 58.60 1rnx s SER 50 Cb 0.07 -2.54 0.15 0.00 0.10 0.00 0.00 66.02 63.79 1rnx s SER 50 CO 0.07 -1.94 1.81 0.25 0.98 0.00 0.00 173.24 174.41 1rnx h LEU 51 N -0.56 0.98 -1.01 2.42 5.85 -1.98 -2.38 115.31 118.62 1rnx h LEU 51 Ca -0.45 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.20 1rnx h LEU 51 Cb 1.25 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 1rnx h LEU 51 CO 0.52 0.81 0.66 0.00 -0.34 0.00 0.00 178.44 180.09 1rnx h ALA 52 N 1.20 1.36 -0.21 1.25 0.00 -1.99 -0.07 119.26 120.80 1rnx h ALA 52 Ca 0.27 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1rnx h ALA 52 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1rnx h ALA 52 CO -0.04 0.52 -0.32 -0.44 0.00 0.00 0.00 179.25 178.97 1rnx h ASP 53 N 1.24 0.43 -0.11 0.00 5.19 -1.81 -1.77 116.42 119.58 1rnx h ASP 53 Ca 0.41 -0.16 -0.17 0.00 -0.62 0.00 0.00 57.03 56.49 1rnx h ASP 53 Cb 0.06 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 39.46 1rnx h ASP 53 CO -0.14 0.73 -0.60 0.58 -3.12 0.00 0.00 179.24 176.69 1rnx h VAL 54 N 0.36 1.34 -0.58 -1.35 2.07 -0.92 -3.11 116.25 114.06 1rnx h VAL 54 Ca 0.05 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.67 1rnx h VAL 54 Cb 0.74 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.63 1rnx h VAL 54 CO 0.06 0.58 0.32 1.56 0.02 0.00 0.00 177.57 180.10 1rnx h GLN 55 N 0.25 0.79 0.00 1.57 4.20 -0.92 -2.31 115.11 118.68 1rnx h GLN 55 Ca -0.04 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1rnx h GLN 55 Cb 1.24 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 1rnx h GLN 55 CO 0.12 0.58 -0.00 0.00 -0.67 0.00 0.00 178.83 178.87 1rnx h ALA 56 N 1.55 1.09 0.00 3.87 0.00 -1.25 -2.15 119.26 122.37 1rnx h ALA 56 Ca 0.21 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1rnx h ALA 56 Cb 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1rnx h ALA 56 CO -0.03 0.00 -0.08 0.28 0.00 0.00 0.00 179.25 179.41 1rnx h VAL 57 N 0.00 0.80 0.00 0.00 2.07 -1.45 -1.84 116.25 115.83 1rnx h VAL 57 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1rnx h VAL 57 Cb 0.01 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1rnx h VAL 57 CO 0.00 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1rnx n SER 59 N -1.24 2.05 0.00 0.00 3.41 -0.69 -5.02 113.62 112.13 1rnx n SER 59 Ca 0.04 -2.73 0.00 0.00 -0.26 0.00 0.00 58.87 55.92 1rnx n SER 59 Cb 0.06 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1rnx n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rnx n GLN 60 N -1.10 3.12 -2.23 4.33 6.02 -0.53 -5.01 117.38 121.97 1rnx n GLN 60 Ca 0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 1rnx n GLN 60 Cb 0.56 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.79 1rnx n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rnx s LYS 61 N 4.86 3.77 -0.11 -1.09 2.47 -1.11 -4.85 119.74 123.67 1rnx s LYS 61 Ca 0.00 1.42 -0.30 0.00 -1.56 0.00 0.00 55.97 55.54 1rnx s LYS 61 Cb 0.00 -4.00 -0.02 0.00 -1.46 0.00 0.00 37.83 32.35 1rnx s LYS 61 CO 0.00 -1.32 1.25 1.21 0.16 0.00 0.00 175.35 176.66 1rnx s ASN 62 N 3.90 6.97 0.24 1.43 3.04 -1.26 -0.45 114.94 128.81 1rnx s ASN 62 Ca 0.66 1.77 0.01 0.00 0.04 0.00 0.00 52.86 55.34 1rnx s ASN 62 Cb -0.21 -2.55 -0.05 0.00 -1.54 0.00 0.00 41.25 36.91 1rnx s ASN 62 CO 0.28 -0.69 0.09 0.68 -3.04 0.00 0.00 177.10 174.42 1rnx s VAL 63 N 2.95 0.46 0.40 -5.21 -7.23 -0.30 -4.94 120.40 106.54 1rnx s VAL 63 Ca 0.56 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.53 1rnx s VAL 63 Cb -0.24 -2.57 -0.11 0.00 0.56 0.00 0.00 36.38 34.03 1rnx s VAL 63 CO 0.18 -0.04 0.91 0.00 -0.31 0.00 0.00 175.10 175.84 1rnx s ALA 64 N -3.82 3.10 0.48 1.32 0.00 -1.26 -3.17 121.76 118.41 1rnx s ALA 64 Ca 0.37 0.34 -0.08 0.00 0.00 0.00 0.00 51.96 52.60 1rnx s ALA 64 Cb 0.08 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1rnx s ALA 64 CO 0.13 0.17 0.82 0.00 0.00 0.00 0.00 175.76 176.87 1rnx h LYS 66 N 0.45 0.00 -0.00 0.00 1.57 -1.93 -0.25 116.57 116.41 1rnx h LYS 66 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1rnx h LYS 66 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1rnx h LYS 66 CO 0.62 0.00 -0.01 0.27 -0.57 0.00 0.00 179.45 179.76 1rnx n ASN 67 N -4.33 0.18 0.00 0.86 0.23 -1.26 -4.90 115.26 106.04 1rnx n ASN 67 Ca 0.04 -0.88 0.00 0.00 -0.53 0.00 0.00 54.58 53.21 1rnx n ASN 67 Cb 0.39 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 1rnx n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rnx n GLY 68 N 1.08 0.97 3.76 4.83 0.00 -0.11 -5.06 105.19 110.67 1rnx n GLY 68 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1rnx n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rnx s GLN 69 N -0.78 2.05 -0.25 1.61 -0.21 -1.26 -4.73 119.66 116.10 1rnx s GLN 69 Ca 0.00 1.00 0.10 0.00 0.02 0.00 0.00 55.36 56.48 1rnx s GLN 69 Cb 0.00 -1.89 0.46 0.00 1.00 0.00 0.00 33.01 32.59 1rnx s GLN 69 CO 0.00 -1.74 1.34 0.25 -2.12 0.00 0.00 175.29 173.03 1rnx n THR 70 N -3.57 2.37 -1.45 -0.19 -2.24 -1.26 -0.92 114.28 107.03 1rnx n THR 70 Ca 0.08 -2.95 -0.15 0.00 -2.27 0.00 0.00 64.05 58.76 1rnx n THR 70 Cb 0.54 -0.28 0.16 0.00 -2.10 0.00 0.00 70.33 68.65 1rnx n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rnx n ASN 71 N -1.12 3.69 -4.90 3.42 2.04 -1.26 -4.77 115.26 112.35 1rnx n ASN 71 Ca 0.26 -3.75 -0.34 0.00 -0.44 0.00 0.00 54.58 50.32 1rnx n ASN 71 Cb 0.86 -0.70 -0.05 0.00 -2.53 0.00 0.00 39.78 37.36 1rnx n ASN 71 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1rnx s TYR 73 N -1.36 0.45 -0.19 0.00 1.51 -0.06 -1.15 117.35 116.55 1rnx s TYR 73 Ca 0.29 -0.08 -0.08 0.00 -1.01 0.00 0.00 57.07 56.20 1rnx s TYR 73 Cb -0.13 -0.39 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 1rnx s TYR 73 CO 0.19 -0.08 0.08 -1.14 -1.11 0.00 0.00 175.55 173.48 1rnx s GLN 74 N 0.47 4.01 0.47 -0.62 0.74 0.40 -1.44 119.66 123.69 1rnx s GLN 74 Ca -0.05 -0.32 -0.24 0.00 0.05 0.00 0.00 55.36 54.80 1rnx s GLN 74 Cb -0.08 -3.27 -0.07 0.00 1.10 0.00 0.00 33.01 30.69 1rnx s GLN 74 CO -0.01 0.26 1.28 -1.54 -0.55 0.00 0.00 175.29 174.73 1rnx s SER 75 N 0.42 5.91 0.19 6.67 1.04 -0.14 -2.77 113.70 125.01 1rnx s SER 75 Ca 0.04 2.58 -0.05 0.00 0.48 0.00 0.00 55.95 59.00 1rnx s SER 75 Cb -0.12 -2.63 0.10 0.00 0.10 0.00 0.00 66.02 63.47 1rnx s SER 75 CO 0.00 -1.12 1.53 1.88 0.98 0.00 0.00 173.24 176.51 1rnx h TYR 76 N 2.06 0.84 -1.41 5.02 0.05 -1.96 -3.43 116.97 118.14 1rnx h TYR 76 Ca -0.50 -0.26 -0.55 0.00 0.05 0.00 0.00 58.73 57.47 1rnx h TYR 76 Cb 1.26 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 38.77 1rnx h TYR 76 CO 0.51 1.01 -0.43 -1.54 -1.05 0.00 0.00 178.16 176.65 1rnx s SER 77 N -6.87 4.64 0.59 3.88 1.04 -1.26 -5.06 113.70 110.65 1rnx s SER 77 Ca -0.09 -1.01 -0.10 0.00 0.48 0.00 0.00 55.95 55.23 1rnx s SER 77 Cb 0.12 -0.37 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 1rnx s SER 77 CO 0.85 -0.66 0.97 0.42 0.98 0.00 0.00 173.24 175.80 1rnx s THR 78 N -2.59 4.75 0.09 2.02 -4.23 -1.26 -4.41 115.64 110.01 1rnx s THR 78 Ca 0.42 0.73 0.03 0.00 -1.18 0.00 0.00 61.69 61.68 1rnx s THR 78 Cb 0.01 -3.87 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 1rnx s THR 78 CO 0.24 -1.07 -0.08 -0.04 -0.54 0.00 0.00 174.62 173.12 1rnx s MET 79 N -5.05 0.78 -0.10 3.99 -1.94 0.20 -4.83 119.30 112.35 1rnx s MET 79 Ca 0.53 -1.13 -0.30 0.00 -1.71 0.00 0.00 55.69 53.09 1rnx s MET 79 Cb -0.11 -0.38 -0.02 0.00 2.01 0.00 0.00 34.83 36.33 1rnx s MET 79 CO 0.51 0.04 1.18 0.45 -0.01 0.00 0.00 175.02 177.20 1rnx s SER 80 N -2.45 7.05 0.12 3.03 0.15 -1.26 -1.19 113.70 119.15 1rnx s SER 80 Ca 0.04 1.72 0.00 0.00 0.70 0.00 0.00 55.95 58.42 1rnx s SER 80 Cb -0.02 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1rnx s SER 80 CO -0.01 -0.61 -0.01 0.27 1.20 0.00 0.00 173.24 174.08 1rnx s ILE 81 N 2.55 0.43 -0.11 6.45 -4.36 0.01 -0.51 121.20 125.66 1rnx s ILE 81 Ca 0.54 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 59.02 1rnx s ILE 81 Cb -0.22 -1.87 0.02 0.00 1.25 0.00 0.00 42.46 41.64 1rnx s ILE 81 CO 0.19 -0.68 -0.09 -0.89 0.24 0.00 0.00 174.94 173.70 1rnx s THR 82 N -3.81 1.11 -0.14 8.37 2.01 0.05 -1.53 115.64 121.71 1rnx s THR 82 Ca 0.17 -0.37 -0.18 0.00 0.31 0.00 0.00 61.69 61.62 1rnx s THR 82 Cb 0.07 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1rnx s THR 82 CO -0.02 0.37 0.48 -0.62 -0.69 0.00 0.00 174.62 174.15 1rnx s ASP 83 N 1.42 6.64 -0.16 3.53 2.15 0.70 -0.98 116.67 129.96 1rnx s ASP 83 Ca 0.00 0.76 -0.00 0.00 0.43 0.00 0.00 52.55 53.74 1rnx s ASP 83 Cb -0.13 -2.28 -0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1rnx s ASP 83 CO -0.06 -0.05 -0.14 0.00 -0.17 0.00 0.00 175.17 174.76 1rnx s ARG 85 N 0.93 -0.02 0.43 0.00 3.52 -1.09 -0.67 118.95 122.05 1rnx s ARG 85 Ca -0.03 0.16 -0.26 0.00 -0.13 0.00 0.00 55.73 55.48 1rnx s ARG 85 Cb -0.15 -0.19 -0.09 0.00 -1.56 0.00 0.00 34.95 32.96 1rnx s ARG 85 CO -0.02 -0.14 1.41 -1.21 -0.81 0.00 0.00 175.30 174.54 1rnx s GLU 86 N 0.86 3.82 0.64 5.12 2.02 -0.48 -0.10 118.70 130.58 1rnx s GLU 86 Ca -0.07 2.39 -0.07 0.00 0.02 0.00 0.00 54.97 57.24 1rnx s GLU 86 Cb -0.10 -2.73 0.03 0.00 0.10 0.00 0.00 34.13 31.42 1rnx s GLU 86 CO -0.03 -0.70 0.96 0.95 0.02 0.00 0.00 175.26 176.46 1rnx s THR 87 N -1.20 3.22 0.60 3.63 -4.23 -0.72 -4.79 115.64 112.14 1rnx s THR 87 Ca 0.59 -0.03 0.30 0.00 -1.18 0.00 0.00 61.69 61.36 1rnx s THR 87 Cb -0.43 -3.32 0.36 0.00 1.34 0.00 0.00 72.50 70.45 1rnx s THR 87 CO 0.56 -0.34 2.16 1.23 -0.54 0.00 0.00 174.62 177.69 1rnx h GLY 88 N -0.35 0.00 -3.68 3.99 0.00 -1.94 -2.16 103.07 98.93 1rnx h GLY 88 Ca -0.45 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.36 1rnx h GLY 88 CO 0.61 0.00 0.52 -1.14 0.00 0.00 0.00 176.54 176.53 1rnx n SER 89 N -3.75 4.86 -4.88 0.19 3.41 -1.26 -4.98 113.62 107.21 1rnx n SER 89 Ca -0.00 -3.71 -0.36 0.00 -0.26 0.00 0.00 58.87 54.55 1rnx n SER 89 Cb 0.23 -0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 63.31 1rnx n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rnx s SER 90 N -1.81 6.46 -0.22 4.04 0.15 -0.81 -4.80 113.70 116.71 1rnx s SER 90 Ca 0.57 0.53 -0.07 0.00 0.70 0.00 0.00 55.95 57.68 1rnx s SER 90 Cb 0.47 -2.08 0.10 0.00 -1.71 0.00 0.00 66.02 62.81 1rnx s SER 90 CO 0.05 0.32 0.45 -1.59 1.20 0.00 0.00 173.24 173.67 1rnx s LYS 91 N -1.45 0.37 0.16 5.44 0.00 -0.31 -4.89 119.74 119.06 1rnx s LYS 91 Ca 0.22 1.04 -0.34 0.00 0.00 0.00 0.00 55.97 56.89 1rnx s LYS 91 Cb -0.13 0.33 -0.15 0.00 0.00 0.00 0.00 37.83 37.88 1rnx s LYS 91 CO 0.12 -0.30 1.42 0.98 0.00 0.00 0.00 175.35 177.57 1rnx n TYR 92 N 5.40 1.91 -0.31 1.78 9.36 -1.26 0.31 117.16 134.35 1rnx n TYR 92 Ca -0.08 0.46 0.07 0.00 3.32 0.00 0.00 57.90 61.67 1rnx n TYR 92 Cb 0.49 -2.43 0.31 0.00 -0.63 0.00 0.00 39.34 37.08 1rnx n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rnx n PRO 93 N 2.68 3.48 -3.32 2.98 -0.04 -1.26 -4.98 135.00 134.54 1rnx n PRO 93 Ca 0.16 -2.43 -0.42 0.00 -0.04 0.00 0.00 63.50 60.77 1rnx n PRO 93 Cb 0.26 -1.86 -0.01 0.00 -0.04 0.00 0.00 33.50 31.84 1rnx n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rnx n ASN 94 N 0.84 5.44 -4.73 3.54 4.13 0.91 -5.02 115.26 120.37 1rnx n ASN 94 Ca 0.22 -3.16 -0.42 0.00 1.68 0.00 0.00 54.58 52.91 1rnx n ASN 94 Cb 0.82 -1.27 -0.03 0.00 -1.54 0.00 0.00 39.78 37.76 1rnx n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rnx s ALA 96 N 0.53 1.10 0.09 0.00 0.00 -1.26 -4.91 121.76 117.32 1rnx s ALA 96 Ca 0.57 -0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.25 1rnx s ALA 96 Cb -0.33 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1rnx s ALA 96 CO 0.33 0.12 -0.21 0.71 0.00 0.00 0.00 175.76 176.71 1rnx s TYR 97 N 0.53 1.78 -0.16 0.00 1.51 -1.26 -1.76 117.35 118.00 1rnx s TYR 97 Ca -0.10 -0.41 -0.15 0.00 -1.01 0.00 0.00 57.07 55.40 1rnx s TYR 97 Cb -0.14 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.68 1rnx s TYR 97 CO 0.02 0.18 0.35 0.21 -1.11 0.00 0.00 175.55 175.20 1rnx s LYS 98 N -1.78 4.26 -0.24 -0.62 2.20 0.86 -4.67 119.74 119.75 1rnx s LYS 98 Ca 0.06 0.18 -0.10 0.00 -0.36 0.00 0.00 55.97 55.75 1rnx s LYS 98 Cb -0.10 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 1rnx s LYS 98 CO 0.04 0.17 0.16 0.99 -0.36 0.00 0.00 175.35 176.35 1rnx s THR 99 N 0.66 5.34 -0.23 3.43 2.01 -1.26 -2.67 115.64 122.92 1rnx s THR 99 Ca 0.19 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 1rnx s THR 99 Cb -0.14 -3.49 0.07 0.00 0.01 0.00 0.00 72.50 68.95 1rnx s THR 99 CO 0.06 0.34 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.43 1rnx s THR 100 N 1.11 1.14 0.13 -0.82 2.01 -0.51 -4.98 115.64 113.72 1rnx s THR 100 Ca 0.07 -1.05 -0.26 0.00 0.31 0.00 0.00 61.69 60.77 1rnx s THR 100 Cb -0.14 -1.55 -0.07 0.00 0.01 0.00 0.00 72.50 70.75 1rnx s THR 100 CO 0.05 -0.21 0.79 -1.58 -0.69 0.00 0.00 174.62 172.98 1rnx s GLN 101 N 1.56 4.57 0.26 4.92 2.00 -1.26 -0.21 119.66 131.49 1rnx s GLN 101 Ca -0.02 1.17 -0.20 0.00 -2.00 0.00 0.00 55.36 54.30 1rnx s GLN 101 Cb -0.18 -3.30 0.02 0.00 0.80 0.00 0.00 33.01 30.36 1rnx s GLN 101 CO -0.09 0.47 0.67 0.00 -0.50 0.00 0.00 175.29 175.85 1rnx s ALA 102 N -0.80 -1.17 -0.33 1.58 0.00 -0.58 -4.98 121.76 115.48 1rnx s ALA 102 Ca 0.37 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.12 1rnx s ALA 102 Cb -0.23 0.87 0.10 0.00 0.00 0.00 0.00 23.12 23.86 1rnx s ALA 102 CO 0.26 -0.98 0.04 -0.80 0.00 0.00 0.00 175.76 174.28 1rnx s ASN 103 N -2.90 4.64 0.30 0.00 -0.87 -1.26 -0.81 114.94 114.03 1rnx s ASN 103 Ca 0.10 -2.02 -0.10 0.00 -1.57 0.00 0.00 52.86 49.27 1rnx s ASN 103 Cb -0.05 -1.52 0.01 0.00 -0.02 0.00 0.00 41.25 39.67 1rnx s ASN 103 CO 0.04 -0.37 0.53 -1.59 -2.57 0.00 0.00 177.10 173.15 1rnx s LYS 104 N 1.01 1.78 0.44 -0.60 -2.85 -0.33 -4.75 119.74 114.44 1rnx s LYS 104 Ca 0.09 -1.43 -0.23 0.00 -1.00 0.00 0.00 55.97 53.40 1rnx s LYS 104 Cb -0.19 0.49 -0.08 0.00 -2.06 0.00 0.00 37.83 35.99 1rnx s LYS 104 CO -0.10 -0.76 1.10 -1.01 0.10 0.00 0.00 175.35 174.69 1rnx s HIS 105 N -3.44 3.04 0.12 1.78 3.76 -1.26 -0.62 115.29 118.66 1rnx s HIS 105 Ca 0.24 1.58 0.07 0.00 -0.15 0.00 0.00 55.06 56.80 1rnx s HIS 105 Cb -0.01 -3.24 -0.04 0.00 1.11 0.00 0.00 32.58 30.39 1rnx s HIS 105 CO 0.13 -1.09 -0.05 0.96 -0.85 0.00 0.00 174.74 173.84 1rnx s ILE 106 N -1.64 3.61 -0.16 0.60 -4.36 -1.26 -0.77 121.20 117.22 1rnx s ILE 106 Ca 0.62 -1.26 0.01 0.00 -0.26 0.00 0.00 60.65 59.76 1rnx s ILE 106 Cb -0.25 -2.74 0.02 0.00 1.25 0.00 0.00 42.46 40.75 1rnx s ILE 106 CO 0.30 0.04 -0.18 -0.63 0.24 0.00 0.00 174.94 174.72 1rnx s ILE 107 N -1.40 1.84 0.12 8.37 1.01 -0.08 -0.97 121.20 130.09 1rnx s ILE 107 Ca 0.24 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 60.15 1rnx s ILE 107 Cb -0.11 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1rnx s ILE 107 CO 0.16 0.50 -0.16 0.68 0.00 0.00 0.00 174.94 176.13 1rnx s VAL 108 N 1.26 1.45 -0.01 2.92 -7.23 -0.52 -0.96 120.40 117.31 1rnx s VAL 108 Ca 0.02 -1.69 -0.15 0.00 -1.81 0.00 0.00 61.98 58.35 1rnx s VAL 108 Cb -0.13 -1.54 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 1rnx s VAL 108 CO -0.09 -0.33 0.41 0.00 -0.31 0.00 0.00 175.10 174.78 1rnx s ALA 109 N -1.90 3.69 0.13 1.32 0.00 -0.36 -0.88 121.76 123.77 1rnx s ALA 109 Ca 0.09 -0.22 0.09 0.00 0.00 0.00 0.00 51.96 51.92 1rnx s ALA 109 Cb -0.06 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 1rnx s ALA 109 CO 0.04 0.45 -0.21 0.00 0.00 0.00 0.00 175.76 176.03 1rnx s GLU 111 N -2.26 1.42 1.29 0.00 2.02 -0.76 -4.90 118.70 115.51 1rnx s GLU 111 Ca 0.12 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1rnx s GLU 111 Cb -0.09 0.56 0.00 0.00 0.10 0.00 0.00 34.13 34.70 1rnx s GLU 111 CO 0.06 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.11 1rnx n GLY 112 N -0.40 -1.86 2.66 -1.39 0.00 -1.26 -2.09 105.19 100.85 1rnx n GLY 112 Ca -0.10 -1.36 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 1rnx n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rnx s ASN 113 N -4.00 3.01 0.68 1.61 3.84 -1.26 -1.63 114.94 117.20 1rnx s ASN 113 Ca 0.00 -0.96 -0.13 0.00 0.21 0.00 0.00 52.86 51.98 1rnx s ASN 113 Cb 0.00 -0.47 0.01 0.00 -0.55 0.00 0.00 41.25 40.24 1rnx s ASN 113 CO 0.00 -0.36 1.08 -2.16 -2.79 0.00 0.00 177.10 172.87 1rnx s PRO 114 N 1.96 2.81 -0.66 0.43 0.04 -1.26 -5.08 135.00 133.25 1rnx s PRO 114 Ca 0.03 1.16 -0.26 0.00 0.04 0.00 0.00 61.00 61.97 1rnx s PRO 114 Cb -0.17 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.44 1rnx s PRO 114 CO -0.17 -1.21 1.17 -0.47 0.04 0.00 0.00 177.00 176.36 1rnx s TYR 115 N -2.72 2.49 0.26 0.56 5.04 -0.65 -4.85 117.35 117.49 1rnx s TYR 115 Ca 0.62 0.03 0.04 0.00 -2.44 0.00 0.00 57.07 55.31 1rnx s TYR 115 Cb -0.17 -4.48 -0.06 0.00 0.35 0.00 0.00 41.96 37.61 1rnx s TYR 115 CO 0.48 -1.78 0.01 0.14 -1.34 0.00 0.00 175.55 173.06 1rnx s VAL 116 N 5.06 1.09 0.20 3.14 -7.23 -0.89 -4.83 120.40 116.95 1rnx s VAL 116 Ca 0.35 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 58.17 1rnx s VAL 116 Cb -0.10 -2.49 -0.11 0.00 0.56 0.00 0.00 36.38 34.25 1rnx s VAL 116 CO 0.18 -0.22 1.61 -2.84 -0.31 0.00 0.00 175.10 173.52 1rnx s PRO 117 N -3.87 4.18 0.00 4.82 0.02 -1.26 -1.83 135.00 137.06 1rnx s PRO 117 Ca 0.31 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.79 1rnx s PRO 117 Cb 0.06 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1rnx s PRO 117 CO 0.11 -0.64 0.10 1.33 -0.33 0.00 0.00 177.00 177.57 1rnx n VAL 118 N 3.58 0.00 -3.66 3.83 0.24 0.25 -4.56 118.33 118.00 1rnx n VAL 118 Ca 0.13 -0.34 -0.14 0.00 -2.04 0.00 0.00 64.34 61.95 1rnx n VAL 118 Cb 0.37 1.09 -0.08 0.00 -1.47 0.00 0.00 33.84 33.76 1rnx n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1rnx s HIS 119 N -0.49 -0.65 -0.39 6.34 5.65 -1.18 -4.71 115.29 119.87 1rnx s HIS 119 Ca 0.00 1.55 -0.16 0.00 0.25 0.00 0.00 55.06 56.70 1rnx s HIS 119 Cb 0.00 0.23 0.01 0.00 -1.18 0.00 0.00 32.58 31.64 1rnx s HIS 119 CO 0.00 -0.34 0.41 0.12 -0.65 0.00 0.00 174.74 174.28 1rnx s PHE 120 N 0.19 3.19 -0.16 3.88 2.19 -1.26 -1.22 117.98 124.78 1rnx s PHE 120 Ca -0.01 -0.24 -0.22 0.00 0.33 0.00 0.00 56.93 56.78 1rnx s PHE 120 Cb -0.04 -2.80 -0.23 0.00 -1.31 0.00 0.00 43.02 38.64 1rnx s PHE 120 CO 0.01 -0.60 0.45 0.22 1.83 0.00 0.00 175.22 177.14 1rnx h ASP 121 N 8.62 0.09 -5.77 6.13 3.58 -1.40 -3.49 116.42 124.19 1rnx h ASP 121 Ca -0.28 -0.73 0.32 0.00 0.42 0.00 0.00 57.03 56.76 1rnx h ASP 121 Cb 1.12 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 42.07 1rnx h ASP 121 CO 0.76 1.39 0.85 0.00 -2.88 0.00 0.00 179.24 179.35 1rnx s ALA 122 N -2.35 -2.31 0.09 -0.78 0.00 -1.13 -4.96 121.76 110.32 1rnx s ALA 122 Ca -0.24 0.14 0.05 0.00 0.00 0.00 0.00 51.96 51.91 1rnx s ALA 122 Cb 0.03 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 1rnx s ALA 122 CO 0.66 -1.12 -0.14 -1.54 0.00 0.00 0.00 175.76 173.63 1rnx s SER 123 N -3.57 1.77 0.00 0.00 1.04 -1.26 -0.90 113.70 110.78 1rnx s SER 123 Ca 0.25 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1rnx s SER 123 Cb 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1rnx s SER 123 CO -0.01 -0.12 0.17 0.52 0.98 0.00 0.00 173.24 174.79