#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 1.96 -0.10 1.12 -7.23 0.86 -3.92 120.40 113.09 2k22 s VAL 2 Ca 0.00 -0.97 0.01 0.00 -1.81 0.00 0.00 61.98 59.21 2k22 s VAL 2 Cb 0.00 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 2k22 s VAL 2 CO 0.00 0.54 -0.12 -0.89 -0.31 0.00 0.00 175.10 174.32 2k22 s THR 3 N 0.29 3.19 -0.06 5.32 2.01 -1.26 -1.81 115.64 123.32 2k22 s THR 3 Ca -0.16 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.26 2k22 s THR 3 Cb -0.17 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 2k22 s THR 3 CO 0.08 0.55 -0.23 0.68 -0.69 0.00 0.00 174.62 175.01 2k22 s VAL 4 N -0.12 2.26 -0.07 3.82 -7.23 -1.26 -1.22 120.40 116.57 2k22 s VAL 4 Ca -0.01 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.18 2k22 s VAL 4 Cb -0.14 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 2k22 s VAL 4 CO 0.03 0.57 -0.11 -0.60 -0.31 0.00 0.00 175.10 174.69 2k22 s ARG 5 N -0.26 2.76 -0.17 4.82 6.06 -0.94 -4.68 118.95 126.54 2k22 s ARG 5 Ca -0.00 -0.62 -0.01 0.00 -2.50 0.00 0.00 55.73 52.60 2k22 s ARG 5 Cb -0.13 -2.52 0.04 0.00 0.06 0.00 0.00 34.95 32.40 2k22 s ARG 5 CO 0.03 0.58 -0.04 0.71 -2.50 0.00 0.00 175.30 174.07 2k22 s TYR 6 N -0.60 1.65 0.70 5.12 2.02 -1.26 -2.50 117.35 122.47 2k22 s TYR 6 Ca 0.09 -1.07 -0.12 0.00 -0.37 0.00 0.00 57.07 55.60 2k22 s TYR 6 Cb -0.11 -1.29 0.16 0.00 -0.40 0.00 0.00 41.96 40.32 2k22 s TYR 6 CO 0.02 -0.61 0.89 0.66 -1.57 0.00 0.00 175.55 174.94 2k22 n TYR 7 N 4.89 -3.95 -0.02 2.71 4.02 -1.25 -4.80 117.16 118.76 2k22 n TYR 7 Ca -0.11 -0.79 0.23 0.00 -0.01 0.00 0.00 57.90 57.21 2k22 n TYR 7 Cb 0.48 -0.72 0.72 0.00 -0.02 0.00 0.00 39.34 39.80 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 -1.94 2.47 0.00 -0.72 0.00 -1.99 0.29 119.26 117.35 2k22 h ALA 8 Ca -0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2k22 h ALA 8 Cb 0.82 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2k22 h ALA 8 CO 0.21 -0.79 -0.06 0.00 0.00 0.00 0.00 179.25 178.60 2k22 h THR 9 N 0.00 0.61 -0.26 0.00 1.03 -1.93 -1.44 112.91 110.93 2k22 h THR 9 Ca 0.28 -0.25 0.00 0.00 -0.01 0.00 0.00 66.41 66.43 2k22 h THR 9 Cb 1.25 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 69.48 2k22 h THR 9 CO -0.00 0.06 0.00 0.18 -0.01 0.00 0.00 175.52 175.75 2k22 n LEU 10 N -3.85 3.37 0.41 0.00 7.99 0.97 -4.70 117.00 121.20 2k22 n LEU 10 Ca -0.03 -2.62 -0.19 0.00 -0.01 0.00 0.00 56.01 53.17 2k22 n LEU 10 Cb 0.15 -0.40 -0.09 0.00 -0.11 0.00 0.00 43.42 42.97 2k22 n LEU 10 CO 0.29 0.69 0.61 -0.09 -1.51 0.00 0.00 177.39 177.38 2k22 h ARG 11 N 1.69 -1.00 0.00 3.23 9.65 -0.92 0.30 114.38 127.34 2k22 h ARG 11 Ca 0.00 0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2k22 h ARG 11 Cb 1.12 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.93 2k22 h ARG 11 CO 0.12 -0.66 0.00 -0.35 2.80 0.00 0.00 179.97 181.88 2k22 n PRO 12 N -5.54 0.25 0.00 0.20 -0.04 -1.26 -0.23 135.00 128.37 2k22 n PRO 12 Ca -0.14 0.13 0.05 0.00 -0.04 0.00 0.00 63.50 63.50 2k22 n PRO 12 Cb 0.42 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.25 0.00 -0.01 0.52 5.41 -0.88 -4.52 119.36 118.63 2k22 n ILE 13 Ca 0.08 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.54 2k22 n ILE 13 Cb 0.11 1.04 0.00 0.00 -0.71 0.00 0.00 39.64 40.08 2k22 n ILE 13 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2k22 n THR 14 N -0.95 0.00 -3.04 1.39 5.66 0.10 -4.91 114.28 112.53 2k22 n THR 14 Ca 0.03 -0.47 -0.20 0.00 -3.05 0.00 0.00 64.05 60.36 2k22 n THR 14 Cb 0.19 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 2k22 n THR 14 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2k22 n LYS 15 N -0.81 -3.32 -3.01 1.09 4.81 0.68 -3.21 118.16 114.39 2k22 n LYS 15 Ca 0.00 0.59 -0.12 0.00 -0.87 0.00 0.00 58.31 57.91 2k22 n LYS 15 Cb 0.00 -5.30 0.01 0.00 0.02 0.00 0.00 35.03 29.77 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 -3.52 -2.30 -3.18 1.64 5.02 -1.23 -5.04 118.16 109.55 2k22 n LYS 16 Ca -0.07 1.97 0.05 0.00 -2.02 0.00 0.00 58.31 58.24 2k22 n LYS 16 Cb 0.58 -4.25 -0.02 0.00 -0.02 0.00 0.00 35.03 31.31 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 -2.16 0.12 0.02 1.97 2.20 -1.20 -5.17 119.74 115.52 2k22 s LYS 17 Ca 0.19 0.23 0.06 0.00 -0.36 0.00 0.00 55.97 56.10 2k22 s LYS 17 Cb -0.04 0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 2k22 s LYS 17 CO 0.71 -0.10 -0.19 -2.00 -0.36 0.00 0.00 175.35 173.41 2k22 s GLU 18 N 2.74 1.36 0.18 4.03 2.12 -1.26 -4.99 118.70 122.88 2k22 s GLU 18 Ca -0.04 -0.81 -0.19 0.00 0.36 0.00 0.00 54.97 54.30 2k22 s GLU 18 Cb -0.07 -1.39 0.04 0.00 0.26 0.00 0.00 34.13 32.96 2k22 s GLU 18 CO -0.11 0.37 0.53 -1.83 -0.54 0.00 0.00 175.26 173.67 2k22 s GLU 19 N -0.89 1.33 0.20 4.30 -1.05 -1.26 -5.12 118.70 116.20 2k22 s GLU 19 Ca 0.06 -0.76 0.04 0.00 -0.15 0.00 0.00 54.97 54.17 2k22 s GLU 19 Cb -0.08 0.53 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 2k22 s GLU 19 CO 0.01 -0.57 0.30 0.95 0.95 0.00 0.00 175.26 176.90 2k22 s THR 20 N -3.84 5.18 0.02 1.83 -4.23 -1.26 -4.35 115.64 108.99 2k22 s THR 20 Ca 0.06 -0.89 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 2k22 s THR 20 Cb -0.01 -3.74 -0.01 0.00 1.34 0.00 0.00 72.50 70.08 2k22 s THR 20 CO -0.06 -0.21 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.34 2k22 s PHE 21 N -1.87 0.94 0.29 3.99 0.08 -0.75 -4.96 117.98 115.70 2k22 s PHE 21 Ca 0.34 -0.27 0.07 0.00 0.12 0.00 0.00 56.93 57.19 2k22 s PHE 21 Cb -0.10 -0.58 -0.03 0.00 -0.57 0.00 0.00 43.02 41.74 2k22 s PHE 21 CO 0.28 -0.01 0.24 0.54 -0.10 0.00 0.00 175.22 176.18 2k22 s ASN 22 N -0.72 5.41 0.00 1.36 4.22 -1.26 -0.10 114.94 123.85 2k22 s ASN 22 Ca 0.01 -0.37 0.00 0.00 -2.14 0.00 0.00 52.86 50.36 2k22 s ASN 22 Cb -0.06 -1.19 0.00 0.00 1.28 0.00 0.00 41.25 41.28 2k22 s ASN 22 CO 0.00 -0.20 0.00 0.61 -2.04 0.00 0.00 177.10 175.48 2k22 n GLY 23 N -1.28 1.94 3.77 0.45 0.00 -1.26 -4.97 105.19 103.84 2k22 n GLY 23 Ca -0.05 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 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 2.60 -0.30 -0.61 -1.09 -1.26 -4.94 121.20 115.61 2k22 s ILE 24 Ca 0.00 0.59 0.19 0.00 -2.23 0.00 0.00 60.65 59.21 2k22 s ILE 24 Cb 0.00 -3.37 0.48 0.00 -1.58 0.00 0.00 42.46 37.98 2k22 s ILE 24 CO 0.00 0.13 1.08 -1.20 -1.23 0.00 0.00 174.94 173.72 2k22 n SER 25 N 0.61 1.16 -3.69 3.58 7.64 -1.26 -4.52 113.62 117.13 2k22 n SER 25 Ca 0.01 -2.36 -0.13 0.00 1.01 0.00 0.00 58.87 57.40 2k22 n SER 25 Cb 0.42 -0.36 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 2k22 n SER 25 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k22 s LYS 26 N -3.07 0.85 0.40 1.43 1.02 -1.26 -0.89 119.74 118.21 2k22 s LYS 26 Ca 0.26 -0.27 0.18 0.00 0.02 0.00 0.00 55.97 56.16 2k22 s LYS 26 Cb 0.39 0.38 0.82 0.00 -0.52 0.00 0.00 37.83 38.90 2k22 s LYS 26 CO -0.01 -0.27 1.82 0.82 -0.92 0.00 0.00 175.35 176.78 2k22 h ILE 27 N 3.29 0.96 0.35 2.17 1.08 -1.66 -1.34 117.51 122.36 2k22 h ILE 27 Ca -0.30 -1.30 -0.02 0.00 -0.39 0.00 0.00 64.86 62.85 2k22 h ILE 27 Cb 1.19 1.76 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 2k22 h ILE 27 CO 0.42 0.33 -0.17 -1.28 -0.69 0.00 0.00 178.15 176.77 2k22 h SER 28 N 0.00 -0.40 0.70 1.72 0.87 -1.80 0.24 113.55 114.89 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 0.73 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2k22 h SER 28 CO 0.04 -0.22 -0.73 -0.33 -0.53 0.00 0.00 176.83 175.06 2k22 h GLU 29 N -0.55 0.02 0.02 2.24 4.39 -1.89 -2.43 114.58 116.38 2k22 h GLU 29 Ca -0.05 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2k22 h GLU 29 Cb 0.41 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2k22 h GLU 29 CO 0.08 0.74 -0.01 1.25 -1.16 0.00 0.00 179.01 179.92 2k22 h LEU 30 N 0.01 -0.02 0.07 1.33 7.12 -1.11 -1.34 115.31 121.37 2k22 h LEU 30 Ca -0.01 -0.37 -0.00 0.00 0.13 0.00 0.00 57.88 57.63 2k22 h LEU 30 Cb 1.30 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.43 2k22 h LEU 30 CO 0.10 0.36 -0.03 -0.07 -0.13 0.00 0.00 178.44 178.67 2k22 h LEU 31 N -0.40 -0.07 -1.97 2.25 3.38 -0.59 -2.29 115.31 115.61 2k22 h LEU 31 Ca -0.00 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.85 2k22 h LEU 31 Cb 0.39 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2k22 h LEU 31 CO 0.00 0.13 0.16 -0.08 0.09 0.00 0.00 178.44 178.74 2k22 h GLU 32 N -0.28 0.04 0.04 1.13 4.81 -1.50 0.30 114.58 119.12 2k22 h GLU 32 Ca -0.01 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k22 h GLU 32 Cb 0.25 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2k22 h GLU 32 CO 0.01 0.03 -0.02 -0.09 -0.73 0.00 0.00 179.01 178.21 2k22 h ARG 33 N 0.04 -0.06 -0.04 1.92 9.65 -0.90 -2.91 114.38 122.08 2k22 h ARG 33 Ca 0.10 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.86 2k22 h ARG 33 Cb 0.37 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 2k22 h ARG 33 CO -0.01 0.35 -0.57 -0.07 2.80 0.00 0.00 179.97 182.48 2k22 h LEU 34 N -0.48 0.15 -0.42 3.80 3.38 -0.87 -2.20 115.31 118.68 2k22 h LEU 34 Ca -0.01 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2k22 h LEU 34 Cb 0.43 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2k22 h LEU 34 CO 0.01 0.69 0.16 0.50 0.09 0.00 0.00 178.44 179.89 2k22 h LYS 35 N 0.11 0.33 0.02 1.13 3.64 -0.42 -2.39 116.57 118.98 2k22 h LYS 35 Ca -0.00 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.15 2k22 h LYS 35 Cb 1.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2k22 h LYS 35 CO 0.08 0.22 -0.93 -0.24 -2.27 0.00 0.00 179.45 176.31 2k22 h VAL 36 N 0.33 1.52 -0.56 2.00 3.04 -1.48 0.54 116.25 121.64 2k22 h VAL 36 Ca 0.19 -2.74 0.11 0.00 -1.01 0.00 0.00 66.70 63.25 2k22 h VAL 36 Cb 0.16 2.56 -0.11 0.00 -2.01 0.00 0.00 31.29 31.89 2k22 h VAL 36 CO -0.18 0.80 -0.21 -0.33 -1.01 0.00 0.00 177.57 176.64 2k22 h GLU 37 N 0.10 -0.07 0.00 4.17 4.39 -0.88 -3.22 114.58 119.07 2k22 h GLU 37 Ca -0.05 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.34 2k22 h GLU 37 Cb 1.58 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 30.19 2k22 h GLU 37 CO 0.14 -0.05 -2.19 0.98 -1.16 0.00 0.00 179.01 176.73 2k22 n TYR 38 N -5.42 0.00 0.00 4.33 9.36 -1.08 -5.10 117.16 119.24 2k22 n TYR 38 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 2k22 n TYR 38 Cb 0.32 -0.81 0.00 0.00 -0.63 0.00 0.00 39.34 38.22 2k22 n TYR 38 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k22 n GLY 39 N 2.42 0.40 0.13 2.98 0.00 0.19 -4.71 105.19 106.59 2k22 n GLY 39 Ca -0.36 -2.08 -0.04 0.00 0.00 0.00 0.00 46.02 43.55 2k22 n GLY 39 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k22 h SER 40 N 0.00 0.09 -0.40 1.61 4.64 -1.95 -3.06 113.55 114.49 2k22 h SER 40 Ca 0.00 -0.06 0.08 0.00 -0.47 0.00 0.00 61.79 61.34 2k22 h SER 40 Cb 0.00 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 61.98 2k22 h SER 40 CO 0.00 0.75 -0.11 -0.33 -0.87 0.00 0.00 176.83 176.27 2k22 h GLU 41 N 0.05 -0.02 0.07 4.77 4.39 -1.91 0.31 114.58 122.25 2k22 h GLU 41 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2k22 h GLU 41 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2k22 h GLU 41 CO 0.10 -0.01 -0.03 0.35 -1.16 0.00 0.00 179.01 178.25 2k22 h PHE 42 N -0.02 -0.08 -0.07 4.33 3.04 -1.87 -2.36 116.94 119.92 2k22 h PHE 42 Ca 0.19 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.18 2k22 h PHE 42 Cb 0.31 0.03 -0.06 0.00 2.56 0.00 0.00 35.95 38.79 2k22 h PHE 42 CO -0.37 0.32 -0.35 1.15 -2.02 0.00 0.00 178.31 177.04 2k22 h THR 43 N -0.50 0.25 -0.06 4.41 2.02 -1.37 0.69 112.91 118.35 2k22 h THR 43 Ca -0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.19 2k22 h THR 43 Cb 0.44 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2k22 h THR 43 CO 0.01 0.00 0.06 0.11 0.37 0.00 0.00 175.52 176.08 2k22 h LYS 44 N -0.47 0.00 -0.44 6.66 1.57 -0.45 0.47 116.57 123.91 2k22 h LYS 44 Ca 0.07 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 2k22 h LYS 44 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2k22 h LYS 44 CO -0.33 0.00 -0.18 0.37 -0.57 0.00 0.00 179.45 178.75 2k22 h GLN 45 N 0.00 0.89 -0.43 3.15 5.75 -0.32 -2.16 115.11 121.99 2k22 h GLN 45 Ca 0.03 -0.37 0.00 0.00 -0.15 0.00 0.00 58.65 58.15 2k22 h GLN 45 Cb 0.16 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.67 2k22 h GLN 45 CO -0.00 1.02 0.00 -0.12 -2.65 0.00 0.00 178.83 177.08 2k22 n MET 46 N -4.21 2.48 -2.70 1.69 1.56 -0.59 -4.46 117.12 110.89 2k22 n MET 46 Ca -0.01 -2.29 0.00 0.00 -0.27 0.00 0.00 57.70 55.14 2k22 n MET 46 Cb 0.42 -1.49 0.02 0.00 2.15 0.00 0.00 33.22 34.32 2k22 n MET 46 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 2k22 s TYR 47 N -1.34 -0.19 -0.94 1.12 5.04 0.15 -4.69 117.35 116.51 2k22 s TYR 47 Ca 0.38 -0.00 -0.19 0.00 -2.44 0.00 0.00 57.07 54.82 2k22 s TYR 47 Cb 0.22 0.04 0.13 0.00 0.35 0.00 0.00 41.96 42.70 2k22 s TYR 47 CO 0.30 -0.14 1.13 0.34 -1.34 0.00 0.00 175.55 175.84 2k22 s ASP 48 N 1.64 6.64 0.00 4.32 2.15 -0.77 -3.69 116.67 126.96 2k22 s ASP 48 Ca 0.17 -2.07 0.00 0.00 0.43 0.00 0.00 52.55 51.09 2k22 s ASP 48 Cb 0.07 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 2k22 s ASP 48 CO -0.14 -1.05 0.00 0.61 -0.17 0.00 0.00 175.17 174.41 2k22 n GLY 49 N 5.46 1.56 0.01 2.66 0.00 -1.26 -3.63 105.19 109.99 2k22 n GLY 49 Ca 0.24 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 4.27 3.45 -4.07 1.61 3.02 -1.26 -5.06 115.26 117.22 2k22 n ASN 50 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 2k22 n ASN 50 Cb 0.00 1.07 -0.09 0.00 -0.61 0.00 0.00 39.78 40.14 2k22 n ASN 50 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2k22 s ASN 51 N -3.15 0.28 0.88 6.41 2.20 -1.24 -5.09 114.94 115.24 2k22 s ASN 51 Ca -0.03 -1.04 -0.14 0.00 -0.94 0.00 0.00 52.86 50.71 2k22 s ASN 51 Cb 0.03 0.30 -0.01 0.00 -2.00 0.00 0.00 41.25 39.57 2k22 s ASN 51 CO 0.27 -0.73 0.28 0.18 -2.94 0.00 0.00 177.10 174.16 2k22 n LEU 52 N -0.06 -0.74 0.01 3.54 7.99 -1.26 -1.84 117.00 124.63 2k22 n LEU 52 Ca -0.09 0.39 -0.01 0.00 -0.01 0.00 0.00 56.01 56.29 2k22 n LEU 52 Cb 0.63 -1.15 -0.01 0.00 -0.11 0.00 0.00 43.42 42.79 2k22 n LEU 52 CO 0.28 -3.82 0.06 0.15 -1.51 0.00 0.00 177.39 172.55 2k22 h PHE 53 N -1.12 -0.08 0.00 -1.77 3.57 -1.78 -3.43 116.94 112.34 2k22 h PHE 53 Ca -0.44 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 60.98 2k22 h PHE 53 Cb 1.31 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2k22 h PHE 53 CO 0.35 -0.05 -0.64 -0.22 -2.23 0.00 0.00 178.31 175.52 2k22 h LYS 54 N -0.53 0.00 0.00 1.11 3.64 -1.93 -3.49 116.57 115.37 2k22 h LYS 54 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2k22 h LYS 54 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2k22 h LYS 54 CO 0.01 0.43 0.00 0.09 -2.27 0.00 0.00 179.45 177.71 2k22 n ASN 55 N -4.58 0.00 -4.77 4.20 3.02 -1.26 -4.96 115.26 106.92 2k22 n ASN 55 Ca -0.15 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.00 2k22 n ASN 55 Cb 0.39 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.53 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 2.74 -0.23 2.41 1.01 -1.26 -3.73 120.40 121.34 2k22 s VAL 56 Ca 0.00 0.74 -0.00 0.00 0.00 0.00 0.00 61.98 62.72 2k22 s VAL 56 Cb 0.00 -3.47 0.06 0.00 0.00 0.00 0.00 36.38 32.97 2k22 s VAL 56 CO 0.00 0.18 -0.02 -0.63 0.00 0.00 0.00 175.10 174.63 2k22 s ILE 57 N -1.09 1.25 -0.05 2.22 1.01 -0.51 -4.88 121.20 119.14 2k22 s ILE 57 Ca 0.49 -1.10 0.06 0.00 0.00 0.00 0.00 60.65 60.10 2k22 s ILE 57 Cb -0.40 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 2k22 s ILE 57 CO 0.52 -0.19 -0.22 -0.51 0.00 0.00 0.00 174.94 174.54 2k22 s ILE 58 N 1.51 1.82 0.30 2.92 2.07 -1.26 -0.35 121.20 128.22 2k22 s ILE 58 Ca -0.03 -0.95 0.10 0.00 -1.41 0.00 0.00 60.65 58.36 2k22 s ILE 58 Cb -0.18 -1.54 -0.06 0.00 0.13 0.00 0.00 42.46 40.81 2k22 s ILE 58 CO -0.08 0.51 -0.13 -0.76 -1.91 0.00 0.00 174.94 172.57 2k22 s LEU 59 N -0.18 2.63 -0.07 8.50 1.43 -1.03 -4.93 118.68 125.04 2k22 s LEU 59 Ca -0.01 -1.12 0.01 0.00 -1.03 0.00 0.00 54.13 51.98 2k22 s LEU 59 Cb -0.12 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 45.18 2k22 s LEU 59 CO 0.02 -0.15 -0.09 0.54 0.23 0.00 0.00 176.35 176.91 2k22 s VAL 60 N -2.68 0.93 -1.32 -1.59 0.11 0.88 -2.33 120.40 114.39 2k22 s VAL 60 Ca 0.30 -0.33 -0.05 0.00 -2.93 0.00 0.00 61.98 58.97 2k22 s VAL 60 Cb -0.00 -0.89 0.03 0.00 -1.53 0.00 0.00 36.38 33.99 2k22 s VAL 60 CO 0.14 0.32 0.36 -3.20 -3.33 0.00 0.00 175.10 169.39 2k22 n ASN 61 N 4.07 -4.50 -2.40 3.54 4.05 -0.10 -1.53 115.26 118.40 2k22 n ASN 61 Ca -0.22 -0.19 -0.11 0.00 0.45 0.00 0.00 54.58 54.51 2k22 n ASN 61 Cb 0.51 -3.72 0.05 0.00 1.23 0.00 0.00 39.78 37.86 2k22 n ASN 61 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k22 n GLY 62 N -1.16 0.00 0.00 8.20 0.00 -1.26 -4.94 105.19 106.03 2k22 n GLY 62 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2k22 n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k22 n ASN 63 N -1.90 0.00 -4.86 1.61 4.13 -0.58 -5.16 115.26 108.50 2k22 n ASN 63 Ca -0.11 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.80 2k22 n ASN 63 Cb 0.58 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.76 2k22 n ASN 63 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2k22 s ASN 64 N 0.00 6.70 0.28 6.41 2.20 -1.26 -0.08 114.94 129.19 2k22 s ASN 64 Ca 0.00 0.90 0.11 0.00 -0.94 0.00 0.00 52.86 52.92 2k22 s ASN 64 Cb 0.00 -2.22 0.37 0.00 -2.00 0.00 0.00 41.25 37.40 2k22 s ASN 64 CO 0.00 0.14 1.62 0.16 -2.94 0.00 0.00 177.10 176.07 2k22 h ILE 65 N 2.80 1.41 -0.06 0.54 3.07 -1.87 -2.99 117.51 120.41 2k22 h ILE 65 Ca -0.49 -2.10 0.02 0.00 1.55 0.00 0.00 64.86 63.84 2k22 h ILE 65 Cb 1.19 2.14 -0.00 0.00 -0.27 0.00 0.00 36.82 39.88 2k22 h ILE 65 CO 0.66 0.59 0.05 0.71 -1.05 0.00 0.00 178.15 179.12 2k22 h THR 66 N 0.00 0.65 -0.71 0.16 1.35 -1.85 -1.68 112.91 110.83 2k22 h THR 66 Ca -0.01 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.00 2k22 h THR 66 Cb 1.09 0.96 -0.10 0.00 -1.73 0.00 0.00 68.15 68.36 2k22 h THR 66 CO 0.08 0.00 0.16 -1.28 -0.25 0.00 0.00 175.52 174.23 2k22 h SER 67 N 0.00 0.00 0.00 5.36 0.87 -1.94 -3.41 113.55 114.43 2k22 h SER 67 Ca 0.03 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2k22 h SER 67 Cb 0.14 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2k22 h SER 67 CO -0.00 -0.03 0.00 1.15 -0.53 0.00 0.00 176.83 177.42 2k22 n MET 68 N -5.15 0.00 -5.06 2.24 -0.00 -0.92 -5.08 117.12 103.15 2k22 n MET 68 Ca 0.13 0.00 -0.31 0.00 -0.00 0.00 0.00 57.70 57.52 2k22 n MET 68 Cb 0.43 -0.00 -0.17 0.00 -0.00 0.00 0.00 33.22 33.47 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 -0.33 2.85 0.00 3.17 -0.14 -0.68 -5.07 119.74 119.54 2k22 s LYS 69 Ca 0.00 -0.81 0.00 0.00 -1.36 0.00 0.00 55.97 53.80 2k22 s LYS 69 Cb 0.00 -2.18 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 2k22 s LYS 69 CO 0.00 0.13 0.00 0.41 -0.76 0.00 0.00 175.35 175.13 2k22 n GLY 70 N 3.63 -2.05 0.13 -3.33 0.00 -1.21 -3.14 105.19 99.22 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 -2.00 0.00 0.00 0.00 173.32 171.32 2k22 h LEU 71 N 0.00 0.00 0.00 0.99 5.85 -1.96 -2.90 115.31 117.29 2k22 h LEU 71 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k22 h LEU 71 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2k22 h LEU 71 CO 0.00 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 178.57 2k22 n ASP 72 N -2.33 0.00 -4.77 1.25 9.92 -1.26 -2.90 116.55 116.45 2k22 n ASP 72 Ca 0.04 -0.86 -0.41 0.00 -0.53 0.00 0.00 54.79 53.03 2k22 n ASP 72 Cb 0.37 -0.03 -0.00 0.00 -0.64 0.00 0.00 41.12 40.81 2k22 n ASP 72 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2k22 s THR 73 N -2.06 2.07 0.10 -3.53 2.01 -1.10 -4.93 115.64 108.20 2k22 s THR 73 Ca 0.44 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.53 2k22 s THR 73 Cb 0.21 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2k22 s THR 73 CO 0.36 0.02 0.18 -1.61 -0.69 0.00 0.00 174.62 172.88 2k22 s GLU 74 N -1.82 3.23 -0.07 4.92 2.02 -1.26 -2.66 118.70 123.07 2k22 s GLU 74 Ca 0.54 -0.59 -0.02 0.00 0.02 0.00 0.00 54.97 54.93 2k22 s GLU 74 Cb -0.46 -2.90 0.03 0.00 0.10 0.00 0.00 34.13 30.90 2k22 s GLU 74 CO 0.60 0.57 0.04 0.96 0.02 0.00 0.00 175.26 177.45 2k22 s ILE 75 N -1.55 0.08 0.78 -1.63 -4.36 -0.06 -4.93 121.20 109.52 2k22 s ILE 75 Ca 0.33 0.24 -0.08 0.00 -0.26 0.00 0.00 60.65 60.88 2k22 s ILE 75 Cb -0.12 -0.35 0.12 0.00 1.25 0.00 0.00 42.46 43.36 2k22 s ILE 75 CO 0.26 0.15 1.09 -0.54 0.24 0.00 0.00 174.94 176.15 2k22 s LYS 76 N 2.09 1.63 0.57 0.37 1.02 -1.26 -4.41 119.74 119.74 2k22 s LYS 76 Ca 0.05 -0.54 0.28 0.00 0.02 0.00 0.00 55.97 55.78 2k22 s LYS 76 Cb -0.13 -2.13 1.50 0.00 -0.52 0.00 0.00 37.83 36.56 2k22 s LYS 76 CO -0.04 -1.62 1.97 0.38 -0.92 0.00 0.00 175.35 175.12 2k22 h ASP 77 N -0.86 0.00 0.40 2.83 2.03 -1.97 0.64 116.42 119.49 2k22 h ASP 77 Ca -0.42 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 55.58 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 0.49 0.00 -1.29 0.44 -1.03 0.00 0.00 179.24 177.85 2k22 h ASP 78 N 0.00 0.65 -3.25 4.15 3.32 -1.92 -3.41 116.42 115.96 2k22 h ASP 78 Ca 0.21 -0.65 -0.57 0.00 0.02 0.00 0.00 57.03 56.03 2k22 h ASP 78 Cb 0.99 -0.21 0.17 0.00 0.22 0.00 0.00 39.33 40.50 2k22 h ASP 78 CO -0.00 1.50 -0.18 0.47 -1.72 0.00 0.00 179.24 179.30 2k22 n ASP 79 N -3.66 -0.33 -3.77 6.45 9.92 0.21 -5.00 116.55 120.37 2k22 n ASP 79 Ca -0.12 0.74 -0.13 0.00 -0.53 0.00 0.00 54.79 54.76 2k22 n ASP 79 Cb 1.02 -1.27 -0.12 0.00 -0.64 0.00 0.00 41.12 40.12 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 -2.45 0.31 -0.10 -1.24 -2.85 -1.26 -4.44 119.74 107.71 2k22 s LYS 80 Ca 0.72 0.42 -0.04 0.00 -1.00 0.00 0.00 55.97 56.07 2k22 s LYS 80 Cb -0.42 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.43 2k22 s LYS 80 CO 0.51 -0.06 0.06 0.42 0.10 0.00 0.00 175.35 176.38 2k22 s ILE 81 N 0.35 4.79 -0.02 3.79 1.09 -0.36 -0.92 121.20 129.91 2k22 s ILE 81 Ca -0.02 -0.07 0.02 0.00 -1.10 0.00 0.00 60.65 59.48 2k22 s ILE 81 Cb -0.03 -3.05 0.00 0.00 -1.06 0.00 0.00 42.46 38.32 2k22 s ILE 81 CO -0.01 0.61 -0.08 -0.62 -0.10 0.00 0.00 174.94 174.74 2k22 s ASP 82 N -0.96 1.01 -0.24 3.58 -1.08 -0.98 -2.22 116.67 115.76 2k22 s ASP 82 Ca 0.14 -0.15 -0.07 0.00 -0.52 0.00 0.00 52.55 51.95 2k22 s ASP 82 Cb -0.12 -0.23 -0.03 0.00 -1.46 0.00 0.00 42.92 41.09 2k22 s ASP 82 CO 0.03 0.06 0.07 -0.22 0.52 0.00 0.00 175.17 175.63 2k22 s LEU 83 N 0.12 3.46 -0.10 -1.34 1.98 -1.04 -2.45 118.68 119.30 2k22 s LEU 83 Ca -0.01 -0.19 -0.01 0.00 -2.89 0.00 0.00 54.13 51.02 2k22 s LEU 83 Cb -0.07 -1.92 -0.03 0.00 0.66 0.00 0.00 46.19 44.83 2k22 s LEU 83 CO 0.00 -0.02 -0.05 0.12 -1.89 0.00 0.00 176.35 174.51 2k22 s PHE 84 N 1.53 3.01 0.79 5.38 5.36 0.53 -3.89 117.98 130.70 2k22 s PHE 84 Ca 0.06 -0.05 -0.11 0.00 -0.96 0.00 0.00 56.93 55.87 2k22 s PHE 84 Cb -0.15 -1.81 0.07 0.00 -0.34 0.00 0.00 43.02 40.79 2k22 s PHE 84 CO 0.04 0.24 1.09 -1.25 -1.46 0.00 0.00 175.22 173.87 2k22 s PRO 85 N -0.44 2.10 0.59 10.12 0.04 -1.26 -1.43 135.00 144.71 2k22 s PRO 85 Ca 0.07 1.11 -0.18 0.00 0.04 0.00 0.00 61.00 62.04 2k22 s PRO 85 Cb -0.12 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2k22 s PRO 85 CO 0.02 -1.74 1.12 -1.25 0.04 0.00 0.00 177.00 175.20 2k22 s PRO 86 N -4.91 3.15 0.49 0.56 0.04 -1.24 -4.56 135.00 128.53 2k22 s PRO 86 Ca 0.61 1.53 0.24 0.00 0.04 0.00 0.00 61.00 63.43 2k22 s PRO 86 Cb -0.17 -1.99 1.30 0.00 0.04 0.00 0.00 34.50 33.68 2k22 s PRO 86 CO 0.56 -0.99 1.93 -0.39 0.04 0.00 0.00 177.00 178.15 2k22 h VAL 87 N 0.78 0.68 0.02 -0.36 -1.51 -1.93 0.75 116.25 114.68 2k22 h VAL 87 Ca -0.49 -0.05 -0.26 0.00 -1.23 0.00 0.00 66.70 64.67 2k22 h VAL 87 Cb 1.26 0.52 -0.03 0.00 -2.13 0.00 0.00 31.29 30.91 2k22 h VAL 87 CO 0.56 0.03 -1.34 0.00 -1.23 0.00 0.00 177.57 175.58 2k22 h ALA 88 N 1.64 0.47 -0.04 5.19 0.00 -1.93 -3.50 119.26 121.09 2k22 h ALA 88 Ca 0.36 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2k22 h ALA 88 Cb 1.20 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2k22 h ALA 88 CO -0.06 1.34 0.00 0.41 0.00 0.00 0.00 179.25 180.94 2k22 n GLY 89 N 1.48 0.77 0.67 0.00 0.00 0.25 -5.21 105.19 103.15 2k22 n GLY 89 Ca -0.09 -1.28 0.08 0.00 0.00 0.00 0.00 46.02 44.74 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93