#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k22 s VAL 2 N 0.00 1.26 -0.10 1.12 -7.23 0.86 -3.64 120.40 112.67 2k22 s VAL 2 Ca 0.00 -0.56 0.02 0.00 -1.81 0.00 0.00 61.98 59.62 2k22 s VAL 2 Cb 0.00 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.79 2k22 s VAL 2 CO 0.00 0.38 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.14 2k22 s THR 3 N 0.53 2.98 -0.00 5.32 2.01 -1.26 -1.86 115.64 123.35 2k22 s THR 3 Ca -0.13 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.20 2k22 s THR 3 Cb -0.15 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 2k22 s THR 3 CO 0.04 0.55 -0.14 0.68 -0.69 0.00 0.00 174.62 175.06 2k22 s VAL 4 N -0.08 1.14 0.22 3.82 -7.23 -1.26 -0.24 120.40 116.79 2k22 s VAL 4 Ca -0.03 -0.67 0.10 0.00 -1.81 0.00 0.00 61.98 59.57 2k22 s VAL 4 Cb -0.14 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 2k22 s VAL 4 CO 0.04 0.28 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.87 2k22 s ARG 5 N -0.45 1.99 -0.03 4.82 0.52 -1.17 -4.57 118.95 120.06 2k22 s ARG 5 Ca 0.05 -1.43 -0.01 0.00 -0.52 0.00 0.00 55.73 53.82 2k22 s ARG 5 Cb -0.06 -2.05 0.02 0.00 0.52 0.00 0.00 34.95 33.38 2k22 s ARG 5 CO -0.00 0.39 0.06 0.71 0.02 0.00 0.00 175.30 176.48 2k22 s TYR 6 N -2.02 -0.05 0.60 -0.53 2.02 -1.26 -3.56 117.35 112.56 2k22 s TYR 6 Ca 0.27 0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 57.16 2k22 s TYR 6 Cb -0.07 -0.09 0.12 0.00 -0.40 0.00 0.00 41.96 41.52 2k22 s TYR 6 CO 0.16 -0.08 0.83 0.66 -1.57 0.00 0.00 175.55 175.55 2k22 n TYR 7 N 3.69 -3.12 -0.22 2.71 4.02 -1.26 -4.76 117.16 118.22 2k22 n TYR 7 Ca -0.21 -1.37 0.27 0.00 -0.01 0.00 0.00 57.90 56.58 2k22 n TYR 7 Cb 0.55 -0.61 0.66 0.00 -0.02 0.00 0.00 39.34 39.92 2k22 n TYR 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k22 h ALA 8 N -0.70 2.68 -0.67 -0.72 0.00 -1.97 0.28 119.26 118.15 2k22 h ALA 8 Ca -0.27 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2k22 h ALA 8 Cb 0.98 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2k22 h ALA 8 CO 0.28 -0.96 0.44 1.79 0.00 0.00 0.00 179.25 180.80 2k22 h THR 9 N 0.13 1.16 -0.35 0.00 1.35 -2.01 -2.59 112.91 110.60 2k22 h THR 9 Ca 0.47 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 2k22 h THR 9 Cb 1.63 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2k22 h THR 9 CO -0.07 0.16 0.00 0.18 -0.25 0.00 0.00 175.52 175.54 2k22 n LEU 10 N -4.63 4.38 0.27 3.87 4.77 0.23 -4.65 117.00 121.25 2k22 n LEU 10 Ca 0.06 -2.98 -0.13 0.00 -0.03 0.00 0.00 56.01 52.93 2k22 n LEU 10 Cb 0.03 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.47 2k22 n LEU 10 CO 0.35 0.67 0.39 -0.09 -1.33 0.00 0.00 177.39 177.38 2k22 h ARG 11 N 2.42 -0.71 0.00 3.23 2.43 -0.15 -1.80 114.38 119.80 2k22 h ARG 11 Ca 0.00 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2k22 h ARG 11 Cb 1.58 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 2k22 h ARG 11 CO 0.29 -0.42 0.00 -0.35 -1.51 0.00 0.00 179.97 177.98 2k22 n PRO 12 N -5.28 0.06 -0.04 0.20 -0.04 -1.26 -0.60 135.00 128.04 2k22 n PRO 12 Ca -0.10 0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 2k22 n PRO 12 Cb 0.32 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.13 2k22 n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2k22 n ILE 13 N -1.44 1.57 -0.49 0.52 5.41 -1.18 -4.06 119.36 119.70 2k22 n ILE 13 Ca 0.04 -0.80 0.08 0.00 1.00 0.00 0.00 62.75 63.07 2k22 n ILE 13 Cb 0.15 -0.96 0.34 0.00 -0.71 0.00 0.00 39.64 38.45 2k22 n ILE 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2k22 n THR 14 N -3.01 1.95 -1.81 1.39 -1.04 -0.68 -4.89 114.28 106.19 2k22 n THR 14 Ca -0.22 -1.12 -0.18 0.00 -2.04 0.00 0.00 64.05 60.49 2k22 n THR 14 Cb 1.07 -0.07 -0.05 0.00 -1.82 0.00 0.00 70.33 69.46 2k22 n THR 14 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2k22 n LYS 15 N 0.82 -1.32 -3.32 -2.82 4.81 -1.14 -3.35 118.16 111.84 2k22 n LYS 15 Ca 0.24 1.05 -0.10 0.00 -0.87 0.00 0.00 58.31 58.62 2k22 n LYS 15 Cb 0.92 -5.39 0.00 0.00 0.02 0.00 0.00 35.03 30.58 2k22 n LYS 15 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2k22 n LYS 16 N -2.57 -1.46 -3.63 1.64 5.02 0.23 -5.02 118.16 112.38 2k22 n LYS 16 Ca -0.19 1.26 -0.04 0.00 -2.02 0.00 0.00 58.31 57.32 2k22 n LYS 16 Cb 0.62 -4.44 -0.06 0.00 -0.02 0.00 0.00 35.03 31.13 2k22 n LYS 16 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2k22 s LYS 17 N -3.66 0.18 0.02 1.97 2.20 -1.21 -5.12 119.74 114.12 2k22 s LYS 17 Ca 0.02 0.11 0.04 0.00 -0.36 0.00 0.00 55.97 55.78 2k22 s LYS 17 Cb -0.00 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 2k22 s LYS 17 CO 0.81 -0.04 -0.13 -2.00 -0.36 0.00 0.00 175.35 173.63 2k22 s GLU 18 N -0.56 0.91 0.18 4.03 -6.30 -1.26 -4.94 118.70 110.76 2k22 s GLU 18 Ca 0.06 -0.62 -0.18 0.00 -2.50 0.00 0.00 54.97 51.73 2k22 s GLU 18 Cb -0.03 -0.90 0.04 0.00 0.00 0.00 0.00 34.13 33.25 2k22 s GLU 18 CO -0.09 0.23 0.52 -1.21 0.02 0.00 0.00 175.26 174.73 2k22 s GLU 19 N -0.80 1.30 0.36 4.30 2.02 -1.26 -5.12 118.70 119.50 2k22 s GLU 19 Ca 0.02 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.32 2k22 s GLU 19 Cb -0.07 0.53 -0.01 0.00 0.10 0.00 0.00 34.13 34.68 2k22 s GLU 19 CO 0.01 -0.55 0.48 0.95 0.02 0.00 0.00 175.26 176.16 2k22 s THR 20 N -3.84 3.67 -0.03 3.63 -4.23 -1.26 -4.33 115.64 109.25 2k22 s THR 20 Ca 0.06 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.48 2k22 s THR 20 Cb -0.01 -3.26 0.01 0.00 1.34 0.00 0.00 72.50 70.58 2k22 s THR 20 CO -0.07 -0.11 0.12 -0.36 -0.54 0.00 0.00 174.62 173.66 2k22 s PHE 21 N -2.25 -0.06 0.30 3.99 0.08 -0.78 -4.96 117.98 114.31 2k22 s PHE 21 Ca 0.47 0.15 0.08 0.00 0.12 0.00 0.00 56.93 57.75 2k22 s PHE 21 Cb -0.09 0.00 -0.04 0.00 -0.57 0.00 0.00 43.02 42.33 2k22 s PHE 21 CO 0.31 -0.13 0.17 0.54 -0.10 0.00 0.00 175.22 176.01 2k22 s ASN 22 N -0.42 5.08 0.00 1.36 2.20 -1.26 -0.10 114.94 121.80 2k22 s ASN 22 Ca -0.05 -0.51 0.00 0.00 -0.94 0.00 0.00 52.86 51.36 2k22 s ASN 22 Cb -0.03 -1.03 0.00 0.00 -2.00 0.00 0.00 41.25 38.19 2k22 s ASN 22 CO 0.00 -0.18 0.00 0.61 -2.94 0.00 0.00 177.10 174.60 2k22 n GLY 23 N -1.17 2.14 3.72 0.45 0.00 -1.26 -4.98 105.19 104.08 2k22 n GLY 23 Ca -0.05 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2k22 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k22 s ILE 24 N 0.00 2.83 -0.26 -0.61 -1.09 -1.26 -4.92 121.20 115.89 2k22 s ILE 24 Ca 0.00 0.59 0.12 0.00 -2.23 0.00 0.00 60.65 59.13 2k22 s ILE 24 Cb 0.00 -3.38 0.47 0.00 -1.58 0.00 0.00 42.46 37.97 2k22 s ILE 24 CO 0.00 0.05 1.17 -1.54 -1.23 0.00 0.00 174.94 173.39 2k22 n SER 25 N 3.99 3.68 -3.72 3.58 3.41 -1.26 -4.67 113.62 118.63 2k22 n SER 25 Ca 0.13 -3.30 -0.13 0.00 -0.26 0.00 0.00 58.87 55.31 2k22 n SER 25 Cb 0.40 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 2k22 n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2k22 s LYS 26 N -3.48 0.79 0.40 4.33 1.02 -1.26 -0.24 119.74 121.30 2k22 s LYS 26 Ca 0.44 -0.31 0.21 0.00 0.02 0.00 0.00 55.97 56.32 2k22 s LYS 26 Cb 0.38 0.35 0.77 0.00 -0.52 0.00 0.00 37.83 38.81 2k22 s LYS 26 CO 0.00 -0.25 1.77 0.82 -0.92 0.00 0.00 175.35 176.77 2k22 h ILE 27 N 3.41 0.74 0.33 2.17 1.08 -1.53 -2.10 117.51 121.62 2k22 h ILE 27 Ca -0.31 -1.36 -0.02 0.00 -0.39 0.00 0.00 64.86 62.79 2k22 h ILE 27 Cb 1.19 1.87 0.00 0.00 -3.07 0.00 0.00 36.82 36.81 2k22 h ILE 27 CO 0.43 0.31 -0.16 -1.28 -0.69 0.00 0.00 178.15 176.75 2k22 h SER 28 N 0.00 -0.38 0.62 1.72 0.87 -1.49 0.23 113.55 115.13 2k22 h SER 28 Ca -0.00 -0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.37 2k22 h SER 28 Cb 0.84 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 2k22 h SER 28 CO 0.04 -0.22 -0.74 -0.33 -0.53 0.00 0.00 176.83 175.05 2k22 h GLU 29 N -0.51 0.10 0.11 2.24 5.08 -1.86 -1.65 114.58 118.10 2k22 h GLU 29 Ca -0.05 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2k22 h GLU 29 Cb 0.38 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k22 h GLU 29 CO 0.07 0.79 -0.05 1.25 -1.00 0.00 0.00 179.01 180.07 2k22 h LEU 30 N 0.06 -0.13 -0.61 1.33 6.46 -1.25 -1.62 115.31 119.56 2k22 h LEU 30 Ca -0.02 -0.29 -0.13 0.00 -0.12 0.00 0.00 57.88 57.33 2k22 h LEU 30 Cb 1.30 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.25 2k22 h LEU 30 CO 0.10 0.23 -0.24 -0.07 -0.62 0.00 0.00 178.44 177.84 2k22 h LEU 31 N -0.50 0.87 -0.47 2.25 3.38 -0.60 0.26 115.31 120.50 2k22 h LEU 31 Ca -0.02 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2k22 h LEU 31 Cb 0.41 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2k22 h LEU 31 CO 0.03 1.07 0.31 -0.08 0.09 0.00 0.00 178.44 179.85 2k22 h GLU 32 N 0.73 0.62 0.03 1.13 4.81 -1.30 0.26 114.58 120.85 2k22 h GLU 32 Ca 0.09 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 59.06 2k22 h GLU 32 Cb 0.78 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2k22 h GLU 32 CO 0.06 0.42 -1.03 -0.09 -0.73 0.00 0.00 179.01 177.64 2k22 h ARG 33 N 0.64 0.07 0.12 1.92 9.65 -1.21 -3.15 114.38 122.42 2k22 h ARG 33 Ca 0.17 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 2k22 h ARG 33 Cb -0.07 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 2k22 h ARG 33 CO -0.04 1.03 -0.06 1.25 2.80 0.00 0.00 179.97 184.95 2k22 h LEU 34 N 0.02 -0.14 -1.15 3.80 5.85 -0.18 0.19 115.31 123.71 2k22 h LEU 34 Ca -0.04 -0.32 0.11 0.00 0.84 0.00 0.00 57.88 58.47 2k22 h LEU 34 Cb 1.77 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.76 2k22 h LEU 34 CO 0.14 0.27 0.60 0.07 -0.34 0.00 0.00 178.44 179.18 2k22 h LYS 35 N -0.58 0.87 0.04 1.25 2.10 -0.62 -1.45 116.57 118.18 2k22 h LYS 35 Ca -0.02 -0.05 -0.24 0.00 -2.00 0.00 0.00 60.65 58.34 2k22 h LYS 35 Cb 0.45 -0.20 0.01 0.00 -0.90 0.00 0.00 32.23 31.59 2k22 h LYS 35 CO 0.03 0.58 -1.03 0.28 -2.00 0.00 0.00 179.45 177.30 2k22 h VAL 36 N 0.90 1.41 -0.43 0.07 2.07 -1.50 0.30 116.25 119.07 2k22 h VAL 36 Ca 0.45 -2.56 0.09 0.00 0.82 0.00 0.00 66.70 65.49 2k22 h VAL 36 Cb 0.48 2.55 -0.08 0.00 -1.52 0.00 0.00 31.29 32.71 2k22 h VAL 36 CO -0.21 0.76 -0.13 -0.08 0.02 0.00 0.00 177.57 177.93 2k22 h GLU 37 N 0.21 -0.03 0.08 1.57 4.81 0.47 -3.03 114.58 118.65 2k22 h GLU 37 Ca -0.10 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.78 2k22 h GLU 37 Cb 1.69 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 31.05 2k22 h GLU 37 CO 0.18 -0.02 -2.01 0.66 -0.73 0.00 0.00 179.01 177.09 2k22 n TYR 38 N -5.34 1.03 0.00 0.92 4.01 -1.04 -5.09 117.16 111.65 2k22 n TYR 38 Ca 0.03 0.25 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 2k22 n TYR 38 Cb 0.25 -1.15 0.00 0.00 -0.31 0.00 0.00 39.34 38.14 2k22 n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k22 n GLY 39 N 1.93 0.26 0.21 2.72 0.00 0.10 -4.74 105.19 105.68 2k22 n GLY 39 Ca -0.31 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.42 2k22 n GLY 39 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2k22 h SER 40 N 0.00 0.22 -0.44 1.61 0.87 -1.91 -2.80 113.55 111.09 2k22 h SER 40 Ca 0.00 -0.07 0.09 0.00 -1.23 0.00 0.00 61.79 60.58 2k22 h SER 40 Cb 0.00 -0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 61.82 2k22 h SER 40 CO 0.00 0.50 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.37 2k22 h GLU 41 N 0.20 0.00 -0.28 2.24 4.39 -1.90 0.25 114.58 119.48 2k22 h GLU 41 Ca 0.03 -0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 2k22 h GLU 41 Cb 0.61 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2k22 h GLU 41 CO 0.04 0.00 -0.37 0.35 -1.16 0.00 0.00 179.01 177.88 2k22 h PHE 42 N 0.00 0.91 -0.70 4.33 3.04 -1.83 -1.83 116.94 120.86 2k22 h PHE 42 Ca 0.21 -0.30 0.05 0.00 3.98 0.00 0.00 57.97 61.92 2k22 h PHE 42 Cb 0.32 -0.18 -0.05 0.00 2.56 0.00 0.00 35.95 38.60 2k22 h PHE 42 CO -0.38 1.07 0.41 1.15 -2.02 0.00 0.00 178.31 178.54 2k22 h THR 43 N 0.48 1.01 0.00 4.41 2.02 -1.09 0.20 112.91 119.93 2k22 h THR 43 Ca 0.03 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 2k22 h THR 43 Cb 0.96 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2k22 h THR 43 CO 0.09 0.14 -0.47 0.11 0.37 0.00 0.00 175.52 175.76 2k22 h LYS 44 N 0.76 0.00 0.00 6.66 1.79 -0.51 0.29 116.57 125.57 2k22 h LYS 44 Ca 0.31 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.61 2k22 h LYS 44 Cb 0.15 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 2k22 h LYS 44 CO -0.16 0.47 -0.79 0.37 -1.08 0.00 0.00 179.45 178.26 2k22 h GLN 45 N 0.00 0.00 -0.21 3.15 5.75 -0.36 -3.23 115.11 120.22 2k22 h GLN 45 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2k22 h GLN 45 Cb 1.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.64 2k22 h GLN 45 CO 0.06 0.79 0.00 0.00 -2.65 0.00 0.00 178.83 177.03 2k22 n MET 46 N -3.46 1.80 -3.15 1.69 0.00 0.59 -4.62 117.12 109.97 2k22 n MET 46 Ca -0.00 -1.70 0.06 0.00 0.00 0.00 0.00 57.70 56.06 2k22 n MET 46 Cb 0.80 -1.28 -0.00 0.00 0.00 0.00 0.00 33.22 32.73 2k22 n MET 46 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 2k22 s TYR 47 N -1.05 -0.37 -0.83 3.17 5.04 0.10 -4.70 117.35 118.71 2k22 s TYR 47 Ca 0.21 0.22 -0.16 0.00 -2.44 0.00 0.00 57.07 54.91 2k22 s TYR 47 Cb 0.13 0.07 0.18 0.00 0.35 0.00 0.00 41.96 42.69 2k22 s TYR 47 CO 0.18 -0.22 0.85 0.34 -1.34 0.00 0.00 175.55 175.36 2k22 s ASP 48 N 2.97 6.67 0.00 4.32 2.15 0.86 -3.63 116.67 130.02 2k22 s ASP 48 Ca 0.27 -2.41 0.00 0.00 0.43 0.00 0.00 52.55 50.85 2k22 s ASP 48 Cb -0.02 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 2k22 s ASP 48 CO -0.22 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 174.64 2k22 n GLY 49 N 4.52 1.87 0.00 2.66 0.00 -1.26 -3.18 105.19 109.80 2k22 n GLY 49 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2k22 n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k22 n ASN 50 N 5.38 0.42 -3.74 1.61 4.13 -1.26 -5.07 115.26 116.74 2k22 n ASN 50 Ca 0.00 -0.71 -0.10 0.00 1.68 0.00 0.00 54.58 55.46 2k22 n ASN 50 Cb 0.00 0.47 -0.04 0.00 -1.54 0.00 0.00 39.78 38.67 2k22 n ASN 50 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2k22 s ASN 51 N -0.47 -0.20 0.92 6.41 2.20 -1.19 -5.13 114.94 117.47 2k22 s ASN 51 Ca 0.00 -0.49 -0.14 0.00 -0.94 0.00 0.00 52.86 51.29 2k22 s ASN 51 Cb 0.00 0.52 -0.02 0.00 -2.00 0.00 0.00 41.25 39.76 2k22 s ASN 51 CO 0.00 -0.97 0.17 0.18 -2.94 0.00 0.00 177.10 173.54 2k22 n LEU 52 N -0.28 -1.31 0.01 3.54 7.99 -1.26 -0.10 117.00 125.59 2k22 n LEU 52 Ca -0.11 0.34 -0.01 0.00 -0.01 0.00 0.00 56.01 56.22 2k22 n LEU 52 Cb 0.63 -1.11 -0.01 0.00 -0.11 0.00 0.00 43.42 42.82 2k22 n LEU 52 CO 0.18 -4.07 0.06 0.15 -1.51 0.00 0.00 177.39 172.20 2k22 h PHE 53 N -1.25 -0.08 0.00 -1.77 3.57 -1.82 -3.40 116.94 112.20 2k22 h PHE 53 Ca -0.44 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.00 2k22 h PHE 53 Cb 1.30 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 2k22 h PHE 53 CO 0.34 -0.05 -0.56 -0.22 -2.23 0.00 0.00 178.31 175.59 2k22 h LYS 54 N -0.52 0.00 0.00 1.11 1.63 -1.93 -3.49 116.57 113.38 2k22 h LYS 54 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2k22 h LYS 54 Cb 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2k22 h LYS 54 CO 0.01 0.38 0.00 0.09 -3.45 0.00 0.00 179.45 176.48 2k22 n ASN 55 N -4.60 0.00 -4.77 4.20 3.02 -1.26 -4.96 115.26 106.89 2k22 n ASN 55 Ca -0.13 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 2k22 n ASN 55 Cb 0.35 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 2k22 n ASN 55 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2k22 s VAL 56 N 0.00 2.71 -0.26 2.41 1.01 -1.26 -3.63 120.40 121.37 2k22 s VAL 56 Ca 0.00 0.71 0.02 0.00 0.00 0.00 0.00 61.98 62.72 2k22 s VAL 56 Cb 0.00 -3.45 0.07 0.00 0.00 0.00 0.00 36.38 32.99 2k22 s VAL 56 CO 0.00 0.17 -0.07 -0.63 0.00 0.00 0.00 175.10 174.57 2k22 s ILE 57 N -1.14 1.96 -0.05 2.22 1.01 0.81 -4.88 121.20 121.13 2k22 s ILE 57 Ca 0.49 -1.58 0.05 0.00 0.00 0.00 0.00 60.65 59.61 2k22 s ILE 57 Cb -0.40 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 2k22 s ILE 57 CO 0.53 -0.13 -0.21 -0.51 0.00 0.00 0.00 174.94 174.62 2k22 s ILE 58 N 1.18 1.77 0.24 2.92 2.07 -1.26 -0.21 121.20 127.91 2k22 s ILE 58 Ca -0.06 -0.91 0.07 0.00 -1.41 0.00 0.00 60.65 58.35 2k22 s ILE 58 Cb -0.19 -1.51 -0.05 0.00 0.13 0.00 0.00 42.46 40.83 2k22 s ILE 58 CO -0.06 0.50 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.60 2k22 s LEU 59 N -0.06 2.51 -0.04 8.50 1.43 -0.95 -4.90 118.68 125.16 2k22 s LEU 59 Ca -0.04 -1.10 0.02 0.00 -1.03 0.00 0.00 54.13 51.98 2k22 s LEU 59 Cb -0.13 -0.65 0.01 0.00 0.03 0.00 0.00 46.19 45.45 2k22 s LEU 59 CO 0.03 -0.25 -0.10 0.54 0.23 0.00 0.00 176.35 176.80 2k22 s VAL 60 N -3.00 0.93 -1.15 -1.59 0.11 -0.94 -1.53 120.40 113.23 2k22 s VAL 60 Ca 0.26 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2k22 s VAL 60 Cb 0.01 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 2k22 s VAL 60 CO 0.09 0.30 0.00 -3.20 -3.33 0.00 0.00 175.10 168.96 2k22 n ASN 61 N 3.54 -4.04 -2.24 3.54 5.15 0.84 -0.95 115.26 121.10 2k22 n ASN 61 Ca -0.21 0.19 -0.12 0.00 -0.60 0.00 0.00 54.58 53.84 2k22 n ASN 61 Cb 0.53 -3.45 0.05 0.00 -0.53 0.00 0.00 39.78 36.37 2k22 n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k22 n GLY 62 N -0.77 0.10 3.65 8.20 0.00 -1.26 -4.91 105.19 110.20 2k22 n GLY 62 Ca -0.15 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 2k22 n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k22 s ASN 63 N -3.33 -0.17 0.43 1.61 2.47 -0.12 -5.16 114.94 110.68 2k22 s ASN 63 Ca 0.24 0.32 -0.24 0.00 0.42 0.00 0.00 52.86 53.60 2k22 s ASN 63 Cb -0.10 0.35 -0.08 0.00 -1.45 0.00 0.00 41.25 39.96 2k22 s ASN 63 CO 0.40 -0.06 1.18 0.54 -3.72 0.00 0.00 177.10 175.44 2k22 s ASN 64 N 0.11 6.32 0.21 -4.21 2.20 -1.26 -2.22 114.94 116.09 2k22 s ASN 64 Ca 0.06 2.35 0.08 0.00 -0.94 0.00 0.00 52.86 54.41 2k22 s ASN 64 Cb -0.05 -2.61 0.12 0.00 -2.00 0.00 0.00 41.25 36.71 2k22 s ASN 64 CO -0.13 -0.82 1.47 0.16 -2.94 0.00 0.00 177.10 174.84 2k22 h ILE 65 N 2.09 1.54 -0.11 0.54 3.07 -1.87 -3.12 117.51 119.65 2k22 h ILE 65 Ca -0.49 -2.62 0.03 0.00 1.55 0.00 0.00 64.86 63.33 2k22 h ILE 65 Cb 1.24 2.42 -0.00 0.00 -0.27 0.00 0.00 36.82 40.20 2k22 h ILE 65 CO 0.61 0.75 0.10 0.71 -1.05 0.00 0.00 178.15 179.27 2k22 h THR 66 N 0.02 0.64 -0.75 0.16 1.35 -1.85 -1.56 112.91 110.92 2k22 h THR 66 Ca -0.01 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.01 2k22 h THR 66 Cb 1.37 0.92 -0.11 0.00 -1.73 0.00 0.00 68.15 68.61 2k22 h THR 66 CO 0.10 0.00 0.21 -1.28 -0.25 0.00 0.00 175.52 174.31 2k22 h SER 67 N 0.00 0.08 0.00 5.36 0.87 -1.94 -3.40 113.55 114.51 2k22 h SER 67 Ca 0.05 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2k22 h SER 67 Cb 0.25 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2k22 h SER 67 CO -0.00 -0.01 0.00 1.15 -0.53 0.00 0.00 176.83 177.44 2k22 n MET 68 N -5.12 0.00 -5.08 2.24 -0.00 -0.88 -5.08 117.12 103.20 2k22 n MET 68 Ca 0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 57.70 57.54 2k22 n MET 68 Cb 0.46 0.00 -0.17 0.00 -0.00 0.00 0.00 33.22 33.51 2k22 n MET 68 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2k22 s LYS 69 N -0.41 2.73 0.00 3.17 -0.14 -0.64 -5.07 119.74 119.38 2k22 s LYS 69 Ca 0.00 -0.77 0.00 0.00 -1.36 0.00 0.00 55.97 53.84 2k22 s LYS 69 Cb 0.00 -2.09 0.00 0.00 -1.68 0.00 0.00 37.83 34.06 2k22 s LYS 69 CO 0.00 0.15 0.00 0.41 -0.76 0.00 0.00 175.35 175.15 2k22 n GLY 70 N 3.57 -2.15 0.14 -3.33 0.00 -1.22 -3.12 105.19 99.08 2k22 n GLY 70 Ca -0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.95 2k22 n GLY 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k22 h LEU 71 N 0.00 0.00 0.00 0.99 4.07 -1.94 -2.88 115.31 115.56 2k22 h LEU 71 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2k22 h LEU 71 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2k22 h LEU 71 CO 0.00 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 177.83 2k22 n ASP 72 N -2.38 0.00 -4.72 -0.43 8.00 -1.26 -1.39 116.55 114.36 2k22 n ASP 72 Ca 0.04 -0.80 -0.42 0.00 0.71 0.00 0.00 54.79 54.32 2k22 n ASP 72 Cb 0.36 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 2k22 n ASP 72 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2k22 s THR 73 N -2.10 2.13 0.23 -3.53 2.01 -1.09 -4.89 115.64 108.40 2k22 s THR 73 Ca 0.42 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.41 2k22 s THR 73 Cb 0.20 -3.06 -0.07 0.00 0.01 0.00 0.00 72.50 69.58 2k22 s THR 73 CO 0.36 0.01 0.56 -1.83 -0.69 0.00 0.00 174.62 173.03 2k22 s GLU 74 N 0.92 3.82 -0.02 4.92 -1.05 -1.26 -2.20 118.70 123.82 2k22 s GLU 74 Ca 0.72 0.31 -0.00 0.00 -0.15 0.00 0.00 54.97 55.85 2k22 s GLU 74 Cb -0.48 -2.64 0.03 0.00 -0.44 0.00 0.00 34.13 30.60 2k22 s GLU 74 CO 0.34 0.31 0.04 0.96 0.95 0.00 0.00 175.26 177.86 2k22 s ILE 75 N -1.82 -0.06 0.49 1.83 -4.36 0.67 -4.92 121.20 113.03 2k22 s ILE 75 Ca 0.48 0.21 0.08 0.00 -0.26 0.00 0.00 60.65 61.15 2k22 s ILE 75 Cb -0.11 -0.10 0.03 0.00 1.25 0.00 0.00 42.46 43.54 2k22 s ILE 75 CO 0.21 0.08 0.58 -0.54 0.24 0.00 0.00 174.94 175.51 2k22 s LYS 76 N 1.05 2.49 0.54 0.37 -0.14 -1.26 -4.37 119.74 118.43 2k22 s LYS 76 Ca -0.09 -1.57 0.30 0.00 -1.36 0.00 0.00 55.97 53.26 2k22 s LYS 76 Cb -0.12 -2.54 1.47 0.00 -1.68 0.00 0.00 37.83 34.96 2k22 s LYS 76 CO -0.03 -0.51 1.90 0.38 -0.76 0.00 0.00 175.35 176.33 2k22 h ASP 77 N 0.58 0.00 0.00 2.83 2.03 -1.97 0.12 116.42 120.01 2k22 h ASP 77 Ca -0.36 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 55.67 2k22 h ASP 77 Cb 1.28 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.80 2k22 h ASP 77 CO 0.48 0.00 -1.03 0.44 -1.03 0.00 0.00 179.24 178.10 2k22 h ASP 78 N 0.00 0.91 -3.33 4.15 3.32 -1.94 -3.41 116.42 116.11 2k22 h ASP 78 Ca 0.38 -0.74 -0.57 0.00 0.02 0.00 0.00 57.03 56.12 2k22 h ASP 78 Cb 1.55 -0.28 0.17 0.00 0.22 0.00 0.00 39.33 41.00 2k22 h ASP 78 CO -0.00 1.53 -0.17 0.47 -1.72 0.00 0.00 179.24 179.35 2k22 n ASP 79 N -3.87 -0.32 -3.77 6.45 9.92 0.41 -4.97 116.55 120.41 2k22 n ASP 79 Ca -0.11 0.71 -0.13 0.00 -0.53 0.00 0.00 54.79 54.73 2k22 n ASP 79 Cb 0.88 -1.28 -0.12 0.00 -0.64 0.00 0.00 41.12 39.96 2k22 n ASP 79 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2k22 s LYS 80 N -2.64 0.31 -0.10 -1.24 -2.85 -1.26 -4.43 119.74 107.53 2k22 s LYS 80 Ca 0.71 0.42 -0.04 0.00 -1.00 0.00 0.00 55.97 56.06 2k22 s LYS 80 Cb -0.40 0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.45 2k22 s LYS 80 CO 0.52 -0.06 0.06 0.42 0.10 0.00 0.00 175.35 176.39 2k22 s ILE 81 N 0.34 4.84 0.01 3.79 1.09 0.67 -0.12 121.20 131.82 2k22 s ILE 81 Ca -0.02 -0.04 0.04 0.00 -1.10 0.00 0.00 60.65 59.53 2k22 s ILE 81 Cb -0.03 -3.07 -0.01 0.00 -1.06 0.00 0.00 42.46 38.28 2k22 s ILE 81 CO -0.01 0.61 -0.11 -0.62 -0.10 0.00 0.00 174.94 174.70 2k22 s ASP 82 N -0.93 1.33 -0.18 3.58 -1.08 -0.58 -3.06 116.67 115.74 2k22 s ASP 82 Ca 0.14 -0.28 -0.02 0.00 -0.52 0.00 0.00 52.55 51.87 2k22 s ASP 82 Cb -0.12 -0.12 -0.01 0.00 -1.46 0.00 0.00 42.92 41.21 2k22 s ASP 82 CO 0.03 0.09 -0.09 -0.22 0.52 0.00 0.00 175.17 175.50 2k22 s LEU 83 N -0.54 2.78 -0.06 -1.34 1.98 -1.23 -2.24 118.68 118.03 2k22 s LEU 83 Ca 0.03 -0.38 0.05 0.00 -2.89 0.00 0.00 54.13 50.95 2k22 s LEU 83 Cb -0.05 -1.67 -0.01 0.00 0.66 0.00 0.00 46.19 45.11 2k22 s LEU 83 CO 0.00 0.06 -0.23 -0.36 -1.89 0.00 0.00 176.35 173.93 2k22 s PHE 84 N 1.00 2.49 0.87 5.38 0.08 0.71 -4.40 117.98 124.11 2k22 s PHE 84 Ca -0.01 -0.63 -0.11 0.00 0.12 0.00 0.00 56.93 56.30 2k22 s PHE 84 Cb -0.15 -1.61 0.12 0.00 -0.57 0.00 0.00 43.02 40.80 2k22 s PHE 84 CO -0.01 -0.15 1.09 -1.25 -0.10 0.00 0.00 175.22 174.80 2k22 s PRO 85 N -0.23 1.43 0.55 0.24 0.04 -1.26 -0.14 135.00 135.64 2k22 s PRO 85 Ca -0.01 0.88 -0.19 0.00 0.04 0.00 0.00 61.00 61.72 2k22 s PRO 85 Cb -0.13 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2k22 s PRO 85 CO 0.03 -2.14 1.13 -1.25 0.04 0.00 0.00 177.00 174.81 2k22 s PRO 86 N -4.93 3.30 0.57 0.56 0.04 -1.24 -4.46 135.00 128.84 2k22 s PRO 86 Ca 0.63 1.58 0.27 0.00 0.04 0.00 0.00 61.00 63.52 2k22 s PRO 86 Cb -0.18 -2.00 1.57 0.00 0.04 0.00 0.00 34.50 33.93 2k22 s PRO 86 CO 0.57 -0.88 2.07 -0.39 0.04 0.00 0.00 177.00 178.41 2k22 h VAL 87 N 1.08 0.56 -1.23 -0.36 -1.51 -1.94 -1.25 116.25 111.61 2k22 h VAL 87 Ca -0.50 0.00 -0.64 0.00 -1.23 0.00 0.00 66.70 64.33 2k22 h VAL 87 Cb 1.26 0.82 -0.35 0.00 -2.13 0.00 0.00 31.29 30.89 2k22 h VAL 87 CO 0.57 0.00 0.08 0.00 -1.23 0.00 0.00 177.57 176.98 2k22 n ALA 88 N -2.41 5.72 -1.67 5.19 0.00 -1.26 -5.04 120.51 121.05 2k22 n ALA 88 Ca 0.03 -3.87 -0.48 0.00 0.00 0.00 0.00 53.44 49.12 2k22 n ALA 88 Cb 0.37 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 2k22 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k22 n GLY 89 N -0.69 1.15 3.32 0.00 0.00 -0.47 -5.08 105.19 103.41 2k22 n GLY 89 Ca 0.51 0.75 0.00 0.00 0.00 0.00 0.00 46.02 47.28 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93