#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwq n GLU 2 N 0.00 0.73 -2.79 1.97 2.13 -1.26 -5.06 120.64 116.36 1qwq n GLU 2 Ca 0.00 0.29 -0.09 0.00 0.66 0.00 0.00 57.16 58.02 1qwq n GLU 2 Cb 0.00 -2.01 -0.02 0.00 0.27 0.00 0.00 31.44 29.68 1qwq n GLU 2 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1qwq n SER 3 N -0.41 1.45 0.00 4.31 2.88 -1.26 -4.60 113.62 115.99 1qwq n SER 3 Ca 0.13 -1.69 0.00 0.00 -1.33 0.00 0.00 58.87 55.98 1qwq n SER 3 Cb 0.48 0.26 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 1qwq n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qwq n ALA 4 N -2.42 0.00 0.14 -1.46 0.00 -1.26 -3.73 120.51 111.78 1qwq n ALA 4 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 1qwq n ALA 4 Cb 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.49 1qwq n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qwq h ALA 5 N -0.49 -0.12 -0.22 0.00 0.00 -1.90 0.16 119.26 116.68 1qwq h ALA 5 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 54.91 54.00 1qwq h ALA 5 Cb 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1qwq h ALA 5 CO 0.00 0.74 0.05 0.00 0.00 0.00 0.00 179.25 180.04 1qwq h ALA 6 N 0.18 0.29 0.21 0.00 0.00 -1.81 0.16 119.26 118.29 1qwq h ALA 6 Ca -0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1qwq h ALA 6 Cb 2.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1qwq h ALA 6 CO 0.26 -0.05 -0.11 0.87 0.00 0.00 0.00 179.25 180.23 1qwq h LYS 7 N 0.17 -0.29 -0.41 0.00 1.57 -1.81 0.54 116.57 116.35 1qwq h LYS 7 Ca 0.07 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.95 1qwq h LYS 7 Cb 0.29 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.58 1qwq h LYS 7 CO 0.00 -0.19 -0.24 0.35 -0.57 0.00 0.00 179.45 178.80 1qwq h PHE 8 N -0.30 -0.62 0.43 -1.35 3.57 -0.60 0.37 116.94 118.43 1qwq h PHE 8 Ca -0.03 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1qwq h PHE 8 Cb 0.24 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1qwq h PHE 8 CO -0.07 -0.32 -0.48 1.49 -2.23 0.00 0.00 178.31 176.71 1qwq h GLU 9 N -0.17 -0.89 -0.50 1.11 4.81 -0.39 0.29 114.58 118.84 1qwq h GLU 9 Ca 0.19 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.58 1qwq h GLU 9 Cb 0.47 0.20 -0.10 0.00 0.63 0.00 0.00 28.75 29.96 1qwq h GLU 9 CO -0.51 -0.59 -0.14 0.00 -0.73 0.00 0.00 179.01 177.04 1qwq h ARG 10 N -0.93 -0.01 0.00 1.92 2.47 -0.35 0.25 114.38 117.72 1qwq h ARG 10 Ca -0.05 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.50 1qwq h ARG 10 Cb 0.82 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.12 1qwq h ARG 10 CO -0.09 -0.01 -1.12 -0.56 0.56 0.00 0.00 179.97 178.74 1qwq h GLN 11 N -0.01 0.00 -0.00 0.04 3.07 -0.78 -3.40 115.11 114.03 1qwq h GLN 11 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.98 1qwq h GLN 11 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1qwq h GLN 11 CO -0.52 0.49 -0.09 1.58 0.09 0.00 0.00 178.83 180.38 1qwq n HIS 12 N -3.08 0.00 -4.64 0.06 -0.00 0.99 -4.88 115.22 103.67 1qwq n HIS 12 Ca -0.06 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.88 1qwq n HIS 12 Cb 0.86 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.58 1qwq n HIS 12 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1qwq s MET 13 N -1.11 1.31 -0.47 1.57 1.75 0.85 -0.46 119.30 122.75 1qwq s MET 13 Ca 0.01 -0.83 0.06 0.00 -1.25 0.00 0.00 55.69 53.68 1qwq s MET 13 Cb 0.02 -1.36 0.30 0.00 2.84 0.00 0.00 34.83 36.63 1qwq s MET 13 CO 0.08 0.35 1.07 -3.47 -0.65 0.00 0.00 175.02 172.41 1qwq n ASP 14 N 2.06 -2.46 -2.71 1.11 2.03 0.02 -4.46 116.55 112.13 1qwq n ASP 14 Ca -0.17 -3.62 -0.17 0.00 0.52 0.00 0.00 54.79 51.35 1qwq n ASP 14 Cb 0.54 1.92 -0.03 0.00 -0.72 0.00 0.00 41.12 42.82 1qwq n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1qwq n SER 15 N 0.63 -0.75 -2.66 1.67 3.41 -1.16 -1.16 113.62 113.60 1qwq n SER 15 Ca 0.07 -0.49 -0.02 0.00 -0.26 0.00 0.00 58.87 58.16 1qwq n SER 15 Cb 0.69 -0.66 0.01 0.00 -0.26 0.00 0.00 64.21 63.99 1qwq n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qwq n GLY 16 N -0.71 -0.90 3.57 5.00 0.00 -1.25 -4.80 105.19 106.09 1qwq n GLY 16 Ca 0.05 0.30 -0.25 0.00 0.00 0.00 0.00 46.02 46.12 1qwq n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qwq s ASN 17 N -2.85 4.90 0.15 1.61 2.20 -0.31 -4.72 114.94 115.92 1qwq s ASN 17 Ca 0.07 -0.85 0.00 0.00 -0.94 0.00 0.00 52.86 51.14 1qwq s ASN 17 Cb -0.01 -2.57 0.00 0.00 -2.00 0.00 0.00 41.25 36.67 1qwq s ASN 17 CO 0.54 -3.05 0.00 -1.54 -2.94 0.00 0.00 177.10 170.11 1qwq n SER 18 N 14.87 -2.84 -4.25 3.54 3.41 -1.26 -4.69 113.62 122.40 1qwq n SER 18 Ca 0.42 0.31 -0.29 0.00 -0.26 0.00 0.00 58.87 59.05 1qwq n SER 18 Cb 0.46 -1.51 0.21 0.00 -0.26 0.00 0.00 64.21 63.11 1qwq n SER 18 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1qwq s PRO 19 N -2.25 -0.35 -0.02 4.33 0.04 -1.26 -4.80 135.00 130.69 1qwq s PRO 19 Ca 0.00 0.17 -0.00 0.00 0.04 0.00 0.00 61.00 61.20 1qwq s PRO 19 Cb 0.00 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 32.86 1qwq s PRO 19 CO 0.00 -3.18 0.93 0.43 0.04 0.00 0.00 177.00 175.22 1qwq n SER 20 N -4.43 0.11 -1.32 6.66 7.64 -1.26 -3.36 113.62 117.66 1qwq n SER 20 Ca 0.09 -1.91 -0.02 0.00 1.01 0.00 0.00 58.87 58.04 1qwq n SER 20 Cb 0.59 -0.41 0.01 0.00 -1.01 0.00 0.00 64.21 63.38 1qwq n SER 20 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1qwq n SER 21 N 4.57 -0.57 -1.97 6.43 2.88 -1.26 -4.99 113.62 118.71 1qwq n SER 21 Ca 0.01 -1.23 -0.09 0.00 -1.33 0.00 0.00 58.87 56.23 1qwq n SER 21 Cb 0.00 0.22 -0.13 0.00 -0.75 0.00 0.00 64.21 63.56 1qwq n SER 21 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1qwq n SER 22 N -0.33 4.77 0.28 -3.46 7.64 -1.21 -4.62 113.62 116.68 1qwq n SER 22 Ca -0.11 -2.37 -0.11 0.00 1.01 0.00 0.00 58.87 57.29 1qwq n SER 22 Cb 0.56 -1.25 -0.05 0.00 -1.01 0.00 0.00 64.21 62.46 1qwq n SER 22 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1qwq h SER 23 N 2.97 -0.59 -0.16 6.43 0.02 -1.86 0.89 113.55 121.24 1qwq h SER 23 Ca 0.15 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1qwq h SER 23 Cb 1.31 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.98 1qwq h SER 23 CO 0.22 -0.42 -0.02 -1.13 -1.14 0.00 0.00 176.83 174.33 1qwq h ASN 24 N -0.70 0.40 -0.49 3.07 -1.24 -1.86 -1.60 115.58 113.17 1qwq h ASN 24 Ca -0.07 -0.07 0.10 0.00 0.71 0.00 0.00 56.30 56.96 1qwq h ASN 24 Cb 0.54 -0.11 -0.09 0.00 0.73 0.00 0.00 38.32 39.39 1qwq h ASN 24 CO 0.12 0.49 -0.12 0.22 -1.29 0.00 0.00 177.43 176.84 1qwq h TYR 25 N 0.42 -0.26 -0.01 0.67 5.03 -1.85 0.17 116.97 121.13 1qwq h TYR 25 Ca 0.09 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 1qwq h TYR 25 Cb 0.32 0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.79 1qwq h TYR 25 CO 0.01 -0.21 -0.02 0.00 -1.32 0.00 0.00 178.16 176.62 1qwq h ASN 27 N -0.48 -0.73 -0.22 0.00 -0.73 -1.20 -1.36 115.58 110.87 1qwq h ASN 27 Ca 0.00 0.14 0.06 0.00 1.87 0.00 0.00 56.30 58.36 1qwq h ASN 27 Cb 0.56 0.35 -0.07 0.00 0.27 0.00 0.00 38.32 39.43 1qwq h ASN 27 CO 0.00 -0.26 -0.26 0.25 -0.37 0.00 0.00 177.43 176.79 1qwq h LEU 28 N -0.23 -0.82 0.13 0.34 5.85 -0.62 0.60 115.31 120.55 1qwq h LEU 28 Ca 0.14 0.14 0.02 0.00 0.84 0.00 0.00 57.88 59.02 1qwq h LEU 28 Cb 0.44 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1qwq h LEU 28 CO -0.38 -0.30 -0.30 -0.03 -0.34 0.00 0.00 178.44 177.09 1qwq h MET 29 N -0.28 -0.51 -0.17 1.25 4.05 -0.16 0.18 114.93 119.29 1qwq h MET 29 Ca 0.13 0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.47 1qwq h MET 29 Cb 0.48 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1qwq h MET 29 CO -0.38 -0.34 -0.38 0.00 0.23 0.00 0.00 176.91 176.04 1qwq h MET 30 N -0.53 0.37 0.06 0.39 -0.00 -1.14 0.58 114.93 114.66 1qwq h MET 30 Ca 0.03 -0.17 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 1qwq h MET 30 Cb 0.55 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.14 1qwq h MET 30 CO -0.17 0.70 -0.07 0.00 -0.00 0.00 0.00 176.91 177.37 1qwq h ARG 33 N 0.73 0.00 -5.83 0.00 9.65 -0.52 -3.46 114.38 114.95 1qwq h ARG 33 Ca 0.31 0.00 -0.37 0.00 -1.10 0.00 0.00 59.98 58.82 1qwq h ARG 33 Cb 0.19 0.00 0.12 0.00 -1.39 0.00 0.00 29.97 28.90 1qwq h ARG 33 CO -0.18 0.00 -0.77 1.63 2.80 0.00 0.00 179.97 183.45 1qwq n LYS 34 N -3.33 -6.38 -0.53 0.20 5.02 0.32 -4.92 118.16 108.55 1qwq n LYS 34 Ca -0.03 0.78 0.04 0.00 -2.02 0.00 0.00 58.31 57.07 1qwq n LYS 34 Cb 0.07 -5.68 0.20 0.00 -0.02 0.00 0.00 35.03 29.60 1qwq n LYS 34 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1qwq n MET 35 N -4.35 1.96 -0.52 1.97 2.81 -1.15 -4.68 117.12 113.16 1qwq n MET 35 Ca -0.22 -2.99 0.05 0.00 -1.81 0.00 0.00 57.70 52.72 1qwq n MET 35 Cb 0.64 -1.73 0.23 0.00 -0.71 0.00 0.00 33.22 31.66 1qwq n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1qwq n THR 36 N -1.03 2.34 -1.68 2.03 -2.24 -1.26 -4.40 114.28 108.04 1qwq n THR 36 Ca 0.24 -2.19 -0.41 0.00 -2.27 0.00 0.00 64.05 59.42 1qwq n THR 36 Cb 0.86 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1qwq n THR 36 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1qwq s GLN 37 N -2.97 2.91 0.00 -0.78 0.74 -1.26 -3.67 119.66 114.63 1qwq s GLN 37 Ca 0.42 1.73 0.00 0.00 0.05 0.00 0.00 55.36 57.56 1qwq s GLN 37 Cb 0.36 -4.39 0.00 0.00 1.10 0.00 0.00 33.01 30.07 1qwq s GLN 37 CO 0.05 -2.35 0.00 0.41 -0.55 0.00 0.00 175.29 172.85 1qwq n GLY 38 N 5.76 1.45 3.23 2.59 0.00 -1.26 -4.80 105.19 112.17 1qwq n GLY 38 Ca 0.30 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 1qwq n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qwq s LYS 39 N 0.00 1.03 0.24 1.61 1.02 -1.24 -3.03 119.74 119.37 1qwq s LYS 39 Ca 0.00 -1.44 -0.07 0.00 0.02 0.00 0.00 55.97 54.48 1qwq s LYS 39 Cb 0.00 -0.48 -0.06 0.00 -0.52 0.00 0.00 37.83 36.76 1qwq s LYS 39 CO 0.00 0.02 0.53 0.00 -0.92 0.00 0.00 175.35 174.98 1qwq n LYS 41 N -0.45 1.21 0.17 0.00 4.01 -1.26 -4.94 118.16 116.89 1qwq n LYS 41 Ca -0.01 0.45 -0.14 0.00 -0.51 0.00 0.00 58.31 58.11 1qwq n LYS 41 Cb 0.53 -2.29 -0.08 0.00 -0.51 0.00 0.00 35.03 32.68 1qwq n LYS 41 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1qwq h PRO 42 N 0.92 -0.42 -3.07 1.97 0.13 -1.97 -3.40 132.00 126.16 1qwq h PRO 42 Ca -0.49 0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 1qwq h PRO 42 Cb 1.34 0.09 -0.22 0.00 0.13 0.00 0.00 31.00 32.35 1qwq h PRO 42 CO 0.54 -0.12 -0.32 0.08 -0.23 0.00 0.00 178.00 177.94 1qwq s VAL 43 N -4.98 0.04 -0.17 1.56 1.01 -1.26 -0.93 120.40 115.67 1qwq s VAL 43 Ca -0.15 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 1qwq s VAL 43 Cb 0.03 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 35.91 1qwq s VAL 43 CO 0.57 -0.20 0.48 0.54 0.00 0.00 0.00 175.10 176.48 1qwq s ASN 44 N -0.91 -0.49 0.29 3.32 4.22 0.15 -4.99 114.94 116.53 1qwq s ASN 44 Ca -0.10 0.93 -0.25 0.00 -2.14 0.00 0.00 52.86 51.30 1qwq s ASN 44 Cb -0.05 0.95 -0.09 0.00 1.28 0.00 0.00 41.25 43.34 1qwq s ASN 44 CO 0.03 -0.19 0.90 -0.89 -2.04 0.00 0.00 177.10 174.91 1qwq s THR 45 N 0.17 4.26 -0.48 0.54 2.01 -1.26 -0.45 115.64 120.42 1qwq s THR 45 Ca -0.01 1.77 0.04 0.00 0.31 0.00 0.00 61.69 63.79 1qwq s THR 45 Cb -0.03 -4.04 0.12 0.00 0.01 0.00 0.00 72.50 68.56 1qwq s THR 45 CO 0.01 0.22 0.22 -0.36 -0.69 0.00 0.00 174.62 174.03 1qwq s PHE 46 N -1.51 3.33 0.78 4.92 0.08 0.47 -4.51 117.98 121.54 1qwq s PHE 46 Ca 0.47 -3.11 -0.13 0.00 0.12 0.00 0.00 56.93 54.28 1qwq s PHE 46 Cb -0.20 -2.87 0.07 0.00 -0.57 0.00 0.00 43.02 39.45 1qwq s PHE 46 CO 0.25 -0.79 1.19 0.08 -0.10 0.00 0.00 175.22 175.84 1qwq s VAL 47 N -0.00 2.22 -0.40 -0.44 1.01 0.39 -0.99 120.40 122.19 1qwq s VAL 47 Ca 0.16 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1qwq s VAL 47 Cb -0.24 -2.53 0.12 0.00 0.00 0.00 0.00 36.38 33.73 1qwq s VAL 47 CO -0.02 -0.07 0.18 -2.28 0.00 0.00 0.00 175.10 172.92 1qwq s HIS 48 N -2.17 2.10 0.20 5.22 2.46 -1.26 -0.80 115.29 121.04 1qwq s HIS 48 Ca 0.72 -2.31 -0.18 0.00 0.47 0.00 0.00 55.06 53.76 1qwq s HIS 48 Cb -0.28 -1.96 0.03 0.00 -0.13 0.00 0.00 32.58 30.24 1qwq s HIS 48 CO 0.49 -0.82 0.54 -1.21 -2.47 0.00 0.00 174.74 171.27 1qwq s GLU 49 N 0.72 1.41 0.35 2.88 2.02 -1.26 -4.64 118.70 120.18 1qwq s GLU 49 Ca 0.15 -0.87 -0.18 0.00 0.02 0.00 0.00 54.97 54.08 1qwq s GLU 49 Cb -0.22 0.53 -0.10 0.00 0.10 0.00 0.00 34.13 34.44 1qwq s GLU 49 CO -0.07 -0.60 0.83 0.45 0.02 0.00 0.00 175.26 175.89 1qwq s SER 50 N -2.88 6.91 0.31 -0.19 0.15 -1.26 -4.47 113.70 112.26 1qwq s SER 50 Ca 0.10 1.49 0.08 0.00 0.70 0.00 0.00 55.95 58.31 1qwq s SER 50 Cb -0.01 -2.45 0.81 0.00 -1.71 0.00 0.00 66.02 62.65 1qwq s SER 50 CO -0.02 -0.23 1.75 0.25 1.20 0.00 0.00 173.24 176.19 1qwq h LEU 51 N 2.31 0.72 -0.48 3.45 5.85 -2.01 0.92 115.31 126.08 1qwq h LEU 51 Ca -0.48 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.42 1qwq h LEU 51 Cb 1.18 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 1qwq h LEU 51 CO 0.64 0.18 0.17 0.00 -0.34 0.00 0.00 178.44 179.09 1qwq h ALA 52 N 1.69 0.58 -0.14 1.25 0.00 -1.99 0.16 119.26 120.81 1qwq h ALA 52 Ca 0.61 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.58 1qwq h ALA 52 Cb 1.06 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1qwq h ALA 52 CO -0.43 -0.22 0.07 -0.44 0.00 0.00 0.00 179.25 178.23 1qwq h ASP 53 N 0.34 0.18 -0.90 0.00 3.32 -1.26 -0.00 116.42 118.10 1qwq h ASP 53 Ca 0.23 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1qwq h ASP 53 Cb 0.23 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1qwq h ASP 53 CO -0.23 0.23 0.59 0.58 -1.72 0.00 0.00 179.24 178.69 1qwq h VAL 54 N 0.12 1.24 -0.43 -1.35 2.07 -0.55 0.13 116.25 117.48 1qwq h VAL 54 Ca 0.05 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1qwq h VAL 54 Cb 0.10 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 1qwq h VAL 54 CO -0.01 0.23 0.05 0.50 0.02 0.00 0.00 177.57 178.36 1qwq h LYS 55 N 1.23 0.73 0.19 1.57 3.11 -0.43 0.82 116.57 123.79 1qwq h LYS 55 Ca 0.33 -0.20 0.01 0.00 -2.81 0.00 0.00 60.65 57.98 1qwq h LYS 55 Cb -0.13 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 30.98 1qwq h LYS 55 CO -0.07 0.77 -0.41 0.00 -2.81 0.00 0.00 179.45 176.93 1qwq h ALA 56 N 0.93 -0.77 -0.80 5.00 0.00 -0.22 -2.42 119.26 120.98 1qwq h ALA 56 Ca 0.13 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1qwq h ALA 56 Cb 0.41 0.67 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 1qwq h ALA 56 CO 0.01 -0.99 -0.27 0.28 0.00 0.00 0.00 179.25 178.28 1qwq h VAL 57 N -0.69 0.14 0.00 0.00 2.07 -0.59 0.11 116.25 117.30 1qwq h VAL 57 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1qwq h VAL 57 Cb 0.69 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1qwq h VAL 57 CO -0.20 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.52 1qwq n SER 59 N -2.61 2.27 -0.02 0.00 2.88 0.21 -4.93 113.62 111.43 1qwq n SER 59 Ca -0.02 -2.46 -0.02 0.00 -1.33 0.00 0.00 58.87 55.04 1qwq n SER 59 Cb 0.17 -0.44 -0.01 0.00 -0.75 0.00 0.00 64.21 63.18 1qwq n SER 59 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1qwq n GLN 60 N -0.55 0.14 -3.44 -1.46 7.27 0.12 -4.96 117.38 114.51 1qwq n GLN 60 Ca 0.15 0.06 -0.27 0.00 0.07 0.00 0.00 57.00 57.01 1qwq n GLN 60 Cb 0.86 -0.72 -0.11 0.00 2.41 0.00 0.00 30.24 32.68 1qwq n GLN 60 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1qwq s LYS 61 N -1.53 0.56 0.32 3.69 2.47 -1.25 -5.07 119.74 118.93 1qwq s LYS 61 Ca -0.08 -1.23 -0.29 0.00 -1.56 0.00 0.00 55.97 52.81 1qwq s LYS 61 Cb 0.01 -1.18 -0.12 0.00 -1.46 0.00 0.00 37.83 35.09 1qwq s LYS 61 CO 0.12 -1.21 1.50 1.17 0.16 0.00 0.00 175.35 177.09 1qwq n LYS 62 N 4.09 2.56 -4.07 4.03 4.81 -1.26 -0.91 118.16 127.41 1qwq n LYS 62 Ca 0.12 0.90 -0.09 0.00 -0.87 0.00 0.00 58.31 58.37 1qwq n LYS 62 Cb 0.39 -2.63 -0.10 0.00 0.02 0.00 0.00 35.03 32.70 1qwq n LYS 62 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1qwq s VAL 63 N -0.51 0.32 0.10 3.15 -7.23 0.36 -4.86 120.40 111.73 1qwq s VAL 63 Ca 0.60 -1.46 -0.31 0.00 -1.81 0.00 0.00 61.98 59.00 1qwq s VAL 63 Cb -0.51 -1.05 -0.07 0.00 0.56 0.00 0.00 36.38 35.31 1qwq s VAL 63 CO 0.55 -0.74 1.29 -0.89 -0.31 0.00 0.00 175.10 175.00 1qwq s THR 64 N -2.78 3.64 0.84 5.32 2.01 -1.26 0.01 115.64 123.41 1qwq s THR 64 Ca -0.01 1.19 -0.10 0.00 0.31 0.00 0.00 61.69 63.07 1qwq s THR 64 Cb -0.00 -3.76 0.10 0.00 0.01 0.00 0.00 72.50 68.84 1qwq s THR 64 CO -0.05 0.10 1.12 0.00 -0.69 0.00 0.00 174.62 175.10 1qwq h LYS 66 N -1.47 0.00 0.00 0.00 3.11 -1.95 0.62 116.57 116.88 1qwq h LYS 66 Ca -0.43 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 1qwq h LYS 66 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 1qwq h LYS 66 CO 0.47 0.00 0.00 -0.40 -2.81 0.00 0.00 179.45 176.71 1qwq n ASP 67 N -4.21 0.25 -1.11 4.20 5.68 -1.26 -4.86 116.55 115.23 1qwq n ASP 67 Ca -0.01 0.59 -0.12 0.00 -0.50 0.00 0.00 54.79 54.75 1qwq n ASP 67 Cb 0.17 -0.63 -0.03 0.00 -1.14 0.00 0.00 41.12 39.49 1qwq n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qwq n GLY 68 N -0.81 0.54 1.48 6.12 0.00 0.21 -4.85 105.19 107.88 1qwq n GLY 68 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1qwq n GLY 68 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1qwq n GLN 69 N -2.37 0.00 -2.65 1.61 7.27 -1.26 -5.02 117.38 114.97 1qwq n GLN 69 Ca -0.13 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.64 1qwq n GLN 69 Cb 0.50 -0.19 -0.03 0.00 2.41 0.00 0.00 30.24 32.93 1qwq n GLN 69 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1qwq s THR 70 N -1.72 4.71 -0.79 1.69 -4.23 -1.26 -4.90 115.64 109.14 1qwq s THR 70 Ca 0.00 0.80 -0.25 0.00 -1.18 0.00 0.00 61.69 61.06 1qwq s THR 70 Cb 0.00 -3.74 0.04 0.00 1.34 0.00 0.00 72.50 70.14 1qwq s THR 70 CO 0.00 -0.62 1.26 0.54 -0.54 0.00 0.00 174.62 175.26 1qwq s ASN 71 N -3.23 6.25 0.70 3.99 4.22 -1.26 -0.72 114.94 124.88 1qwq s ASN 71 Ca 0.54 -0.78 -0.11 0.00 -2.14 0.00 0.00 52.86 50.36 1qwq s ASN 71 Cb -0.10 -2.54 0.01 0.00 1.28 0.00 0.00 41.25 39.90 1qwq s ASN 71 CO 0.33 -1.69 1.08 0.00 -2.04 0.00 0.00 177.10 174.78 1qwq s TYR 73 N -3.33 0.15 0.37 0.00 2.02 0.85 -0.48 117.35 116.92 1qwq s TYR 73 Ca 0.58 0.18 -0.25 0.00 -0.37 0.00 0.00 57.07 57.21 1qwq s TYR 73 Cb -0.11 -0.53 -0.09 0.00 -0.40 0.00 0.00 41.96 40.82 1qwq s TYR 73 CO 0.51 -0.22 1.01 -1.14 -1.57 0.00 0.00 175.55 174.15 1qwq s GLN 74 N 2.14 4.33 -0.42 -0.62 0.74 -0.09 -0.87 119.66 124.88 1qwq s GLN 74 Ca 0.05 1.44 -0.26 0.00 0.05 0.00 0.00 55.36 56.64 1qwq s GLN 74 Cb -0.12 -2.63 0.02 0.00 1.10 0.00 0.00 33.01 31.38 1qwq s GLN 74 CO -0.03 0.02 0.95 -1.12 -0.55 0.00 0.00 175.29 174.56 1qwq s SER 75 N -1.59 6.61 0.30 6.67 0.01 0.50 -4.12 113.70 122.08 1qwq s SER 75 Ca 0.55 0.40 0.01 0.00 1.31 0.00 0.00 55.95 58.22 1qwq s SER 75 Cb -0.20 -2.47 0.54 0.00 0.21 0.00 0.00 66.02 64.10 1qwq s SER 75 CO 0.26 -0.98 1.89 0.50 0.41 0.00 0.00 173.24 175.32 1qwq h LYS 76 N 8.78 0.98 -6.89 12.44 3.64 -1.96 -3.41 116.57 130.15 1qwq h LYS 76 Ca -0.23 -0.06 -0.48 0.00 -1.27 0.00 0.00 60.65 58.60 1qwq h LYS 76 Cb 1.07 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1qwq h LYS 76 CO 1.02 0.65 0.18 -1.54 -2.27 0.00 0.00 179.45 177.49 1qwq s SER 77 N -5.93 6.66 0.48 4.20 1.04 -1.26 -5.00 113.70 113.87 1qwq s SER 77 Ca -0.12 1.31 -0.05 0.00 0.48 0.00 0.00 55.95 57.57 1qwq s SER 77 Cb 0.20 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.90 1qwq s SER 77 CO 0.80 -0.37 0.78 0.42 0.98 0.00 0.00 173.24 175.85 1qwq s THR 78 N -2.28 4.92 0.11 2.02 -4.23 -1.26 -4.44 115.64 110.47 1qwq s THR 78 Ca 0.55 0.17 -0.18 0.00 -1.18 0.00 0.00 61.69 61.05 1qwq s THR 78 Cb -0.10 -3.86 0.04 0.00 1.34 0.00 0.00 72.50 69.91 1qwq s THR 78 CO 0.25 -0.84 0.43 -0.32 -0.54 0.00 0.00 174.62 173.61 1qwq s MET 79 N -4.72 1.06 -1.30 3.99 1.75 -0.32 -4.89 119.30 114.87 1qwq s MET 79 Ca 0.47 -0.58 -0.16 0.00 -1.25 0.00 0.00 55.69 54.17 1qwq s MET 79 Cb -0.10 0.47 0.09 0.00 2.84 0.00 0.00 34.83 38.13 1qwq s MET 79 CO 0.44 -0.41 1.75 0.54 -0.65 0.00 0.00 175.02 176.69 1qwq n ARG 80 N -0.05 3.21 -3.21 4.11 1.74 -1.26 -3.06 116.66 118.15 1qwq n ARG 80 Ca -0.17 -3.32 -0.32 0.00 -0.77 0.00 0.00 57.85 53.27 1qwq n ARG 80 Cb 0.63 -3.36 -0.06 0.00 -1.02 0.00 0.00 32.46 28.65 1qwq n ARG 80 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1qwq s ILE 81 N 3.43 4.75 0.08 0.55 -4.36 0.24 -4.60 121.20 121.28 1qwq s ILE 81 Ca 0.50 0.81 -0.05 0.00 -0.26 0.00 0.00 60.65 61.65 1qwq s ILE 81 Cb 0.04 -3.61 -0.05 0.00 1.25 0.00 0.00 42.46 40.09 1qwq s ILE 81 CO 0.04 -0.16 0.31 -0.89 0.24 0.00 0.00 174.94 174.48 1qwq s THR 82 N -1.95 5.25 -0.14 8.37 2.01 -0.16 -0.56 115.64 128.46 1qwq s THR 82 Ca 0.52 0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.52 1qwq s THR 82 Cb -0.10 -3.61 0.05 0.00 0.01 0.00 0.00 72.50 68.85 1qwq s THR 82 CO 0.19 0.19 0.06 -1.81 -0.69 0.00 0.00 174.62 172.56 1qwq s ASP 83 N -2.14 2.12 -0.07 3.53 1.01 0.42 -0.40 116.67 121.15 1qwq s ASP 83 Ca 0.35 -0.45 -0.02 0.00 0.71 0.00 0.00 52.55 53.13 1qwq s ASP 83 Cb -0.13 -0.32 -0.04 0.00 1.01 0.00 0.00 42.92 43.44 1qwq s ASP 83 CO 0.22 -0.30 0.05 0.00 0.21 0.00 0.00 175.17 175.35 1qwq s ARG 85 N -1.16 0.98 -0.29 0.00 1.04 0.72 -0.67 118.95 119.58 1qwq s ARG 85 Ca 0.16 -0.36 -0.29 0.00 -1.04 0.00 0.00 55.73 54.20 1qwq s ARG 85 Cb -0.12 0.44 -0.06 0.00 -2.04 0.00 0.00 34.95 33.17 1qwq s ARG 85 CO 0.06 -0.35 2.26 0.39 -0.04 0.00 0.00 175.30 177.62 1qwq n GLU 86 N 0.38 1.68 -0.32 3.89 1.02 -0.11 0.73 120.64 127.92 1qwq n GLU 86 Ca -0.18 0.41 0.06 0.00 -0.02 0.00 0.00 57.16 57.43 1qwq n GLU 86 Cb 0.60 -3.15 0.14 0.00 -0.02 0.00 0.00 31.44 29.01 1qwq n GLU 86 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1qwq n THR 87 N 7.73 -0.37 0.00 2.62 -1.04 0.17 -4.71 114.28 118.69 1qwq n THR 87 Ca 0.33 2.01 0.00 0.00 -2.04 0.00 0.00 64.05 64.35 1qwq n THR 87 Cb 0.43 -2.80 0.00 0.00 -1.82 0.00 0.00 70.33 66.14 1qwq n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qwq n GLY 88 N -1.54 -0.27 0.00 3.41 0.00 -1.26 -5.00 105.19 100.52 1qwq n GLY 88 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1qwq n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qwq n SER 89 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.14 113.62 112.24 1qwq n SER 89 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1qwq n SER 89 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1qwq n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1qwq n SER 90 N 0.00 0.00 -3.57 4.04 2.88 -1.26 -4.96 113.62 110.75 1qwq n SER 90 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1qwq n SER 90 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1qwq n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1qwq s LYS 91 N 0.00 0.23 0.24 -1.46 2.20 0.13 -4.79 119.74 116.30 1qwq s LYS 91 Ca 0.00 0.68 -0.31 0.00 -0.36 0.00 0.00 55.97 55.98 1qwq s LYS 91 Cb 0.00 -0.24 -0.14 0.00 -1.51 0.00 0.00 37.83 35.94 1qwq s LYS 91 CO 0.00 -0.41 1.34 0.98 -0.36 0.00 0.00 175.35 176.90 1qwq n TYR 92 N 5.36 1.99 0.21 4.03 9.36 -1.17 -0.28 117.16 136.65 1qwq n TYR 92 Ca -0.06 0.49 0.09 0.00 3.32 0.00 0.00 57.90 61.75 1qwq n TYR 92 Cb 0.50 -2.42 0.34 0.00 -0.63 0.00 0.00 39.34 37.13 1qwq n TYR 92 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1qwq h PRO 93 N 3.83 0.00 -2.53 2.98 0.13 -1.96 -3.46 132.00 130.99 1qwq h PRO 93 Ca -0.45 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.32 1qwq h PRO 93 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1qwq h PRO 93 CO 0.73 0.24 1.44 0.09 -0.23 0.00 0.00 178.00 180.26 1qwq n ASN 94 N -3.28 6.22 -4.70 1.44 4.13 0.61 -4.88 115.26 114.80 1qwq n ASN 94 Ca 0.01 -2.45 -0.41 0.00 1.68 0.00 0.00 54.58 53.41 1qwq n ASN 94 Cb 0.50 -1.37 -0.04 0.00 -1.54 0.00 0.00 39.78 37.34 1qwq n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qwq s ALA 96 N 1.46 3.39 -0.57 0.00 0.00 -1.26 -4.88 121.76 119.90 1qwq s ALA 96 Ca 0.44 -3.47 -0.21 0.00 0.00 0.00 0.00 51.96 48.72 1qwq s ALA 96 Cb -0.18 -2.12 0.07 0.00 0.00 0.00 0.00 23.12 20.88 1qwq s ALA 96 CO 0.19 -2.06 0.77 -0.47 0.00 0.00 0.00 175.76 174.20 1qwq s TYR 97 N -0.80 2.91 0.31 0.00 5.04 -1.26 -0.65 117.35 122.89 1qwq s TYR 97 Ca 0.22 -0.53 -0.30 0.00 -2.44 0.00 0.00 57.07 54.01 1qwq s TYR 97 Cb -0.14 -3.90 -0.11 0.00 0.35 0.00 0.00 41.96 38.15 1qwq s TYR 97 CO -0.09 -1.28 1.59 1.17 -1.34 0.00 0.00 175.55 175.60 1qwq n LYS 98 N 6.78 2.73 -3.74 4.97 3.00 0.22 -4.63 118.16 127.49 1qwq n LYS 98 Ca -0.05 0.97 -0.36 0.00 -0.00 0.00 0.00 58.31 58.86 1qwq n LYS 98 Cb 0.45 -2.75 -0.11 0.00 0.00 0.00 0.00 35.03 32.62 1qwq n LYS 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1qwq s THR 99 N -0.19 3.52 0.73 3.15 2.01 -1.26 -0.20 115.64 123.40 1qwq s THR 99 Ca 0.62 -2.46 -0.03 0.00 0.31 0.00 0.00 61.69 60.13 1qwq s THR 99 Cb -0.49 -3.35 0.12 0.00 0.01 0.00 0.00 72.50 68.79 1qwq s THR 99 CO 0.51 -0.78 1.01 -0.89 -0.69 0.00 0.00 174.62 173.78 1qwq s THR 100 N 0.60 2.19 0.21 -0.82 2.01 0.70 -4.51 115.64 116.02 1qwq s THR 100 Ca 0.12 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 61.46 1qwq s THR 100 Cb -0.22 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.62 1qwq s THR 100 CO -0.04 0.00 0.50 0.00 -0.69 0.00 0.00 174.62 174.40 1qwq s GLN 101 N -5.20 1.44 -0.04 4.92 1.03 -1.26 -0.43 119.66 120.12 1qwq s GLN 101 Ca 0.66 -1.02 -0.15 0.00 0.04 0.00 0.00 55.36 54.89 1qwq s GLN 101 Cb -0.06 0.50 0.03 0.00 0.03 0.00 0.00 33.01 33.51 1qwq s GLN 101 CO 0.45 -0.60 0.34 0.54 -2.54 0.00 0.00 175.29 173.47 1qwq s VAL 102 N -3.93 0.04 -0.67 3.63 0.11 0.27 -4.87 120.40 114.99 1qwq s VAL 102 Ca 0.14 -0.37 0.05 0.00 -2.93 0.00 0.00 61.98 58.87 1qwq s VAL 102 Cb -0.01 -0.62 0.18 0.00 -1.53 0.00 0.00 36.38 34.40 1qwq s VAL 102 CO 0.02 -0.20 0.52 -0.62 -3.33 0.00 0.00 175.10 171.48 1qwq n GLU 103 N 1.51 1.78 -1.57 1.54 1.02 -1.26 -0.59 120.64 123.07 1qwq n GLU 103 Ca -0.20 -4.38 -0.02 0.00 -0.02 0.00 0.00 57.16 52.54 1qwq n GLU 103 Cb 0.56 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 1qwq n GLU 103 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1qwq n LYS 104 N 1.85 0.21 -3.38 3.49 5.02 -1.17 -4.82 118.16 119.36 1qwq n LYS 104 Ca 0.22 -0.43 -0.34 0.00 -2.02 0.00 0.00 58.31 55.74 1qwq n LYS 104 Cb 0.37 0.52 -0.06 0.00 -0.02 0.00 0.00 35.03 35.85 1qwq n LYS 104 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1qwq s HIS 105 N -7.44 3.55 0.13 2.13 -3.43 -0.74 -1.17 115.29 108.32 1qwq s HIS 105 Ca 0.03 1.00 0.02 0.00 -0.80 0.00 0.00 55.06 55.31 1qwq s HIS 105 Cb -0.01 -2.33 -0.04 0.00 -1.43 0.00 0.00 32.58 28.77 1qwq s HIS 105 CO 0.02 0.39 0.27 0.96 -2.00 0.00 0.00 174.74 174.38 1qwq s ILE 106 N -1.56 5.31 -0.23 -5.38 -4.36 -1.26 -0.99 121.20 112.74 1qwq s ILE 106 Ca 0.40 -0.65 0.02 0.00 -0.26 0.00 0.00 60.65 60.17 1qwq s ILE 106 Cb -0.14 -3.71 0.04 0.00 1.25 0.00 0.00 42.46 39.90 1qwq s ILE 106 CO 0.20 -0.05 -0.14 -0.63 0.24 0.00 0.00 174.94 174.55 1qwq s ILE 107 N -1.70 2.06 0.30 8.37 1.09 0.50 -0.37 121.20 131.44 1qwq s ILE 107 Ca 0.34 -1.32 0.04 0.00 -1.10 0.00 0.00 60.65 58.61 1qwq s ILE 107 Cb -0.11 -2.06 0.04 0.00 -1.06 0.00 0.00 42.46 39.26 1qwq s ILE 107 CO 0.28 0.19 0.33 1.33 -0.10 0.00 0.00 174.94 176.97 1qwq n VAL 108 N 4.53 0.00 -3.90 2.92 0.24 -0.05 -0.40 118.33 121.67 1qwq n VAL 108 Ca -0.16 -1.10 -0.11 0.00 -2.04 0.00 0.00 64.34 60.93 1qwq n VAL 108 Cb 0.45 -0.50 -0.11 0.00 -1.47 0.00 0.00 33.84 32.21 1qwq n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qwq s ALA 109 N -2.40 -0.13 0.03 2.33 0.00 0.13 -0.11 121.76 121.61 1qwq s ALA 109 Ca 0.25 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.06 1qwq s ALA 109 Cb -0.02 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1qwq s ALA 109 CO 0.16 -0.15 -0.14 0.00 0.00 0.00 0.00 175.76 175.64 1qwq s GLY 111 N -1.46 1.58 0.75 0.00 0.00 0.37 -4.72 107.32 103.85 1qwq s GLY 111 Ca 0.16 -0.70 -0.14 0.00 0.00 0.00 0.00 44.72 44.03 1qwq s GLY 111 CO 0.06 0.05 1.18 -0.32 0.00 0.00 0.00 173.10 174.08 1qwq s GLY 112 N -3.77 2.20 -0.26 0.20 0.00 -1.26 -4.22 107.32 100.21 1qwq s GLY 112 Ca 0.68 0.78 -0.33 0.00 0.00 0.00 0.00 44.72 45.86 1qwq s GLY 112 CO 0.56 1.18 1.05 0.28 0.00 0.00 0.00 173.10 176.18 1qwq n LYS 113 N -2.97 0.00 -2.41 2.90 5.02 -1.26 -4.42 118.16 115.03 1qwq n LYS 113 Ca 0.13 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.08 1qwq n LYS 113 Cb 0.51 -1.08 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 1qwq n LYS 113 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qwq s PRO 114 N 1.56 3.69 -1.09 1.97 0.04 -1.26 -5.06 135.00 134.85 1qwq s PRO 114 Ca 0.73 1.29 -0.23 0.00 0.04 0.00 0.00 61.00 62.84 1qwq s PRO 114 Cb -1.04 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 1qwq s PRO 114 CO 0.54 -0.52 1.84 -1.54 0.04 0.00 0.00 177.00 177.37 1qwq s SER 115 N -2.26 5.54 0.03 6.66 1.04 -1.26 -4.52 113.70 118.92 1qwq s SER 115 Ca 0.66 -1.44 0.07 0.00 0.48 0.00 0.00 55.95 55.72 1qwq s SER 115 Cb -0.16 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 1qwq s SER 115 CO 0.25 -2.47 -0.18 0.68 0.98 0.00 0.00 173.24 172.50 1qwq s VAL 116 N 8.87 2.81 0.37 5.02 -7.23 -1.26 -4.90 120.40 124.07 1qwq s VAL 116 Ca 0.64 -1.12 -0.28 0.00 -1.81 0.00 0.00 61.98 59.41 1qwq s VAL 116 Cb -0.02 -2.16 -0.11 0.00 0.56 0.00 0.00 36.38 34.65 1qwq s VAL 116 CO 0.05 0.38 1.48 -2.16 -0.31 0.00 0.00 175.10 174.54 1qwq s PRO 117 N -1.31 4.13 0.00 4.82 0.04 -1.26 -0.48 135.00 140.94 1qwq s PRO 117 Ca 0.14 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1qwq s PRO 117 Cb -0.10 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1qwq s PRO 117 CO 0.04 -0.51 0.00 1.55 0.04 0.00 0.00 177.00 178.13 1qwq n VAL 118 N 0.62 0.00 -4.45 -0.36 3.14 0.41 -3.80 118.33 113.90 1qwq n VAL 118 Ca 0.01 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.18 1qwq n VAL 118 Cb 0.39 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.04 1qwq n VAL 118 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1qwq s HIS 119 N -0.88 1.30 -0.40 1.45 2.46 -0.60 -4.87 115.29 113.75 1qwq s HIS 119 Ca 0.00 -0.33 -0.17 0.00 0.47 0.00 0.00 55.06 55.03 1qwq s HIS 119 Cb 0.00 -0.78 0.01 0.00 -0.13 0.00 0.00 32.58 31.68 1qwq s HIS 119 CO 0.00 0.03 0.45 0.12 -2.47 0.00 0.00 174.74 172.87 1qwq s PHE 120 N -0.72 3.17 -0.08 3.88 5.36 -1.26 0.18 117.98 128.49 1qwq s PHE 120 Ca 0.03 -0.22 -0.11 0.00 -0.96 0.00 0.00 56.93 55.67 1qwq s PHE 120 Cb -0.07 -2.90 -0.09 0.00 -0.34 0.00 0.00 43.02 39.62 1qwq s PHE 120 CO 0.01 -0.65 0.41 0.22 -1.46 0.00 0.00 175.22 173.74 1qwq h ASP 121 N 8.67 -0.13 -1.74 6.13 1.82 -0.98 -3.48 116.42 126.71 1qwq h ASP 121 Ca -0.27 -0.22 0.15 0.00 -0.39 0.00 0.00 57.03 56.31 1qwq h ASP 121 Cb 1.12 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 41.13 1qwq h ASP 121 CO 0.78 0.45 0.47 0.00 -1.61 0.00 0.00 179.24 179.34 1qwq n ALA 122 N -2.71 -2.03 -2.67 -0.78 0.00 -0.85 -5.02 120.51 106.45 1qwq n ALA 122 Ca -0.04 -0.63 -0.09 0.00 0.00 0.00 0.00 53.44 52.68 1qwq n ALA 122 Cb 0.17 0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 1qwq n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qwq s SER 123 N -2.73 0.22 0.00 0.00 1.04 -1.26 -0.37 113.70 110.59 1qwq s SER 123 Ca 0.17 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1qwq s SER 123 Cb -0.01 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1qwq s SER 123 CO 0.02 -0.51 0.00 0.55 0.98 0.00 0.00 173.24 174.29