#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 0.46 -0.15 1.12 -7.23 0.92 -3.85 120.40 111.68 2k22 s VAL 2 Ca 0.00 -0.10 -0.02 0.00 -1.81 0.00 0.00 61.98 60.05 2k22 s VAL 2 Cb 0.00 -0.49 -0.02 0.00 0.56 0.00 0.00 36.38 36.44 2k22 s VAL 2 CO 0.00 0.20 -0.09 -0.89 -0.31 0.00 0.00 175.10 174.00 2k22 s THR 3 N 0.80 3.33 -0.02 5.32 2.01 -1.26 -1.60 115.64 124.21 2k22 s THR 3 Ca -0.10 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.42 2k22 s THR 3 Cb -0.13 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 2k22 s THR 3 CO -0.00 0.50 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.51 2k22 s VAL 4 N 0.47 1.88 0.25 3.82 1.01 -1.26 -0.89 120.40 125.68 2k22 s VAL 4 Ca -0.07 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 60.99 2k22 s VAL 4 Cb -0.15 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2k22 s VAL 4 CO 0.04 0.53 0.01 -0.60 0.00 0.00 0.00 175.10 175.08 2k22 s ARG 5 N -0.49 2.35 0.01 2.72 3.52 -1.21 -4.60 118.95 121.24 2k22 s ARG 5 Ca 0.07 -1.35 0.00 0.00 -0.13 0.00 0.00 55.73 54.33 2k22 s ARG 5 Cb -0.10 -2.21 -0.01 0.00 -1.56 0.00 0.00 34.95 31.07 2k22 s ARG 5 CO -0.00 0.38 -0.02 0.71 -0.81 0.00 0.00 175.30 175.56 2k22 s TYR 6 N -2.23 0.18 0.40 5.12 2.02 -1.26 -4.03 117.35 117.55 2k22 s TYR 6 Ca 0.31 -0.20 0.05 0.00 -0.37 0.00 0.00 57.07 56.85 2k22 s TYR 6 Cb -0.07 -0.12 0.05 0.00 -0.40 0.00 0.00 41.96 41.42 2k22 s TYR 6 CO 0.20 -0.06 0.41 0.66 -1.57 0.00 0.00 175.55 175.18 2k22 n TYR 7 N 2.51 -1.55 0.05 2.71 4.02 -1.26 -4.92 117.16 118.72 2k22 n TYR 7 Ca -0.16 -1.59 0.21 0.00 -0.01 0.00 0.00 57.90 56.35 2k22 n TYR 7 Cb 0.58 -0.35 0.74 0.00 -0.02 0.00 0.00 39.34 40.29 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 0.50 2.26 -0.04 -0.72 0.00 -1.98 0.30 119.26 119.58 2k22 h ALA 8 Ca -0.22 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2k22 h ALA 8 Cb 0.89 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2k22 h ALA 8 CO 0.34 -0.70 -0.29 1.15 0.00 0.00 0.00 179.25 179.74 2k22 h THR 9 N 0.00 1.23 -0.19 0.00 2.02 -2.00 -2.76 112.91 111.21 2k22 h THR 9 Ca 0.23 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.33 2k22 h THR 9 Cb 1.13 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 2k22 h THR 9 CO -0.00 0.31 0.00 0.18 0.37 0.00 0.00 175.52 176.38 2k22 n LEU 10 N -4.17 3.27 0.51 2.58 4.77 0.93 -4.73 117.00 120.16 2k22 n LEU 10 Ca -0.02 -2.83 -0.20 0.00 -0.03 0.00 0.00 56.01 52.93 2k22 n LEU 10 Cb 0.36 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 2k22 n LEU 10 CO 0.38 0.68 0.53 0.03 -1.33 0.00 0.00 177.39 177.68 2k22 h ARG 11 N 1.29 -1.25 0.00 3.23 3.08 -0.86 0.19 114.38 120.05 2k22 h ARG 11 Ca 0.00 0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2k22 h ARG 11 Cb 1.18 0.29 0.00 0.00 0.08 0.00 0.00 29.97 31.52 2k22 h ARG 11 CO 0.13 -0.84 0.00 -0.35 -1.07 0.00 0.00 179.97 177.84 2k22 n PRO 12 N -5.64 0.07 -0.04 0.04 -0.04 -1.26 -0.52 135.00 127.61 2k22 n PRO 12 Ca -0.16 0.22 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2k22 n PRO 12 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.43 1.05 0.79 0.52 5.41 -1.02 -4.29 119.36 120.40 2k22 n ILE 13 Ca 0.05 -0.73 0.08 0.00 1.00 0.00 0.00 62.75 63.14 2k22 n ILE 13 Cb 0.15 -0.48 -0.07 0.00 -0.71 0.00 0.00 39.64 38.53 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 -2.70 0.00 -2.32 1.39 5.66 0.63 -4.78 114.28 112.16 2k22 n THR 14 Ca -0.19 -0.16 -0.16 0.00 -3.05 0.00 0.00 64.05 60.48 2k22 n THR 14 Cb 0.94 1.06 -0.01 0.00 -1.55 0.00 0.00 70.33 70.77 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 -1.05 -1.35 -3.70 1.09 3.00 0.33 -2.69 118.16 113.78 2k22 n LYS 15 Ca 0.04 0.79 -0.22 0.00 -0.00 0.00 0.00 58.31 58.92 2k22 n LYS 15 Cb 0.29 -5.20 0.04 0.00 0.00 0.00 0.00 35.03 30.15 2k22 n LYS 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2k22 n LYS 16 N -2.58 -5.19 -3.73 1.64 4.81 -1.08 -4.99 118.16 107.03 2k22 n LYS 16 Ca -0.19 0.64 -0.15 0.00 -0.87 0.00 0.00 58.31 57.74 2k22 n LYS 16 Cb 0.65 -5.29 -0.15 0.00 0.02 0.00 0.00 35.03 30.26 2k22 n LYS 16 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2k22 s LYS 17 N -6.02 0.04 0.02 1.64 2.20 -1.10 -5.15 119.74 111.37 2k22 s LYS 17 Ca 0.10 0.38 0.05 0.00 -0.36 0.00 0.00 55.97 56.14 2k22 s LYS 17 Cb -0.05 -0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.02 2k22 s LYS 17 CO 0.81 -0.21 -0.16 -2.00 -0.36 0.00 0.00 175.35 173.43 2k22 s GLU 18 N 1.46 1.12 0.17 4.03 -6.30 -1.26 -4.93 118.70 112.99 2k22 s GLU 18 Ca -0.06 -0.70 -0.18 0.00 -2.50 0.00 0.00 54.97 51.53 2k22 s GLU 18 Cb -0.12 -1.13 0.04 0.00 0.00 0.00 0.00 34.13 32.92 2k22 s GLU 18 CO -0.05 0.29 0.52 -2.00 0.02 0.00 0.00 175.26 174.04 2k22 s GLU 19 N -0.84 1.30 0.17 4.30 2.12 -1.26 -5.11 118.70 119.38 2k22 s GLU 19 Ca 0.04 -0.75 0.04 0.00 0.36 0.00 0.00 54.97 54.66 2k22 s GLU 19 Cb -0.07 0.53 -0.04 0.00 0.26 0.00 0.00 34.13 34.81 2k22 s GLU 19 CO 0.01 -0.55 0.26 0.95 -0.54 0.00 0.00 175.26 175.38 2k22 s THR 20 N -3.83 5.10 0.02 -1.70 -4.23 -1.26 -4.30 115.64 105.43 2k22 s THR 20 Ca 0.06 -0.84 0.05 0.00 -1.18 0.00 0.00 61.69 59.78 2k22 s THR 20 Cb -0.01 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 2k22 s THR 20 CO -0.07 -0.13 -0.14 0.12 -0.54 0.00 0.00 174.62 173.86 2k22 s PHE 21 N -1.79 1.24 0.18 3.99 5.36 -0.63 -4.91 117.98 121.42 2k22 s PHE 21 Ca 0.34 -0.30 0.07 0.00 -0.96 0.00 0.00 56.93 56.08 2k22 s PHE 21 Cb -0.10 -0.76 -0.04 0.00 -0.34 0.00 0.00 43.02 41.77 2k22 s PHE 21 CO 0.27 0.01 -0.14 0.54 -1.46 0.00 0.00 175.22 174.44 2k22 s ASN 22 N -0.78 2.39 0.00 6.13 2.20 -1.26 -0.05 114.94 123.57 2k22 s ASN 22 Ca 0.03 -0.97 0.00 0.00 -0.94 0.00 0.00 52.86 50.98 2k22 s ASN 22 Cb -0.07 -0.11 0.00 0.00 -2.00 0.00 0.00 41.25 39.07 2k22 s ASN 22 CO 0.00 -0.17 0.00 0.61 -2.94 0.00 0.00 177.10 174.60 2k22 n GLY 23 N -0.14 3.39 3.54 0.45 0.00 -1.26 -4.99 105.19 106.18 2k22 n GLY 23 Ca -0.10 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 2k22 n GLY 23 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k22 s ILE 24 N 0.00 3.22 -0.61 -0.61 2.07 -1.26 -5.05 121.20 118.97 2k22 s ILE 24 Ca 0.00 -1.20 0.03 0.00 -1.41 0.00 0.00 60.65 58.07 2k22 s ILE 24 Cb 0.00 -2.46 0.38 0.00 0.13 0.00 0.00 42.46 40.51 2k22 s ILE 24 CO 0.00 0.20 1.30 -1.20 -1.91 0.00 0.00 174.94 173.33 2k22 n SER 25 N 1.04 5.41 -3.86 4.50 7.64 -1.26 -4.79 113.62 122.29 2k22 n SER 25 Ca -0.15 -3.73 -0.09 0.00 1.01 0.00 0.00 58.87 55.91 2k22 n SER 25 Cb 0.52 -0.66 -0.06 0.00 -1.01 0.00 0.00 64.21 63.00 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 -3.70 1.12 0.20 1.43 1.02 -1.26 -1.13 119.74 117.42 2k22 s LYS 26 Ca 0.48 -1.01 0.14 0.00 0.02 0.00 0.00 55.97 55.60 2k22 s LYS 26 Cb 0.35 0.41 -0.03 0.00 -0.52 0.00 0.00 37.83 38.04 2k22 s LYS 26 CO -0.21 -0.42 1.27 0.82 -0.92 0.00 0.00 175.35 175.89 2k22 h ILE 27 N 2.51 0.94 0.11 2.17 1.08 -1.49 -2.94 117.51 119.89 2k22 h ILE 27 Ca -0.32 -2.40 0.02 0.00 -0.39 0.00 0.00 64.86 61.76 2k22 h ILE 27 Cb 1.23 2.42 -0.03 0.00 -3.07 0.00 0.00 36.82 37.37 2k22 h ILE 27 CO 0.48 0.54 -0.24 -1.28 -0.69 0.00 0.00 178.15 176.96 2k22 h SER 28 N 0.00 -0.68 -0.08 1.72 0.87 -1.78 0.16 113.55 113.76 2k22 h SER 28 Ca -0.04 0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 60.38 2k22 h SER 28 Cb 1.51 0.26 0.01 0.00 -0.44 0.00 0.00 62.40 63.75 2k22 h SER 28 CO 0.07 -0.33 -0.80 -0.33 -0.53 0.00 0.00 176.83 174.91 2k22 h GLU 29 N -0.44 0.68 -0.21 2.24 4.39 -1.90 -1.23 114.58 118.10 2k22 h GLU 29 Ca 0.03 -0.63 0.05 0.00 0.34 0.00 0.00 59.36 59.15 2k22 h GLU 29 Cb 0.47 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 2k22 h GLU 29 CO -0.14 1.23 -0.12 1.25 -1.16 0.00 0.00 179.01 180.07 2k22 h LEU 30 N 0.35 -0.40 0.01 1.33 5.85 -1.36 0.26 115.31 121.35 2k22 h LEU 30 Ca -0.08 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2k22 h LEU 30 Cb 1.45 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.69 2k22 h LEU 30 CO 0.16 -0.16 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.03 2k22 h LEU 31 N -0.11 -0.01 -1.97 2.25 3.38 -0.77 -2.78 115.31 115.31 2k22 h LEU 31 Ca 0.12 -0.57 0.19 0.00 0.09 0.00 0.00 57.88 57.72 2k22 h LEU 31 Cb 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2k22 h LEU 31 CO -0.27 0.56 0.49 -0.08 0.09 0.00 0.00 178.44 179.23 2k22 h GLU 32 N -0.60 0.03 -0.08 1.13 4.81 -1.06 0.34 114.58 119.15 2k22 h GLU 32 Ca -0.00 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 2k22 h GLU 32 Cb 0.58 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.96 2k22 h GLU 32 CO 0.00 0.02 -0.42 -0.09 -0.73 0.00 0.00 179.01 177.79 2k22 h ARG 33 N 0.03 0.42 -0.03 1.92 9.65 -0.43 -3.24 114.38 122.71 2k22 h ARG 33 Ca 0.33 -0.35 -0.13 0.00 -1.10 0.00 0.00 59.98 58.72 2k22 h ARG 33 Cb 1.27 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.91 2k22 h ARG 33 CO -0.01 0.99 -0.60 -0.07 2.80 0.00 0.00 179.97 183.08 2k22 h LEU 34 N -0.03 0.10 -0.33 3.80 4.07 -0.82 -2.56 115.31 119.54 2k22 h LEU 34 Ca -0.03 -0.06 0.07 0.00 0.08 0.00 0.00 57.88 57.94 2k22 h LEU 34 Cb 1.08 -0.03 -0.07 0.00 1.08 0.00 0.00 40.66 42.72 2k22 h LEU 34 CO 0.09 0.67 -0.11 0.50 -1.08 0.00 0.00 178.44 178.51 2k22 h LYS 35 N 0.06 -0.04 -0.03 1.13 3.64 -0.43 0.23 116.57 121.13 2k22 h LYS 35 Ca -0.01 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 2k22 h LYS 35 Cb 1.07 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2k22 h LYS 35 CO 0.08 -0.02 -0.86 -0.24 -2.27 0.00 0.00 179.45 176.13 2k22 h VAL 36 N -0.04 1.39 -0.03 2.00 3.04 -1.59 0.17 116.25 121.20 2k22 h VAL 36 Ca 0.16 -2.33 0.00 0.00 -1.01 0.00 0.00 66.70 63.53 2k22 h VAL 36 Cb 0.29 2.30 -0.00 0.00 -2.01 0.00 0.00 31.29 31.86 2k22 h VAL 36 CO -0.36 0.70 0.01 -0.08 -1.01 0.00 0.00 177.57 176.82 2k22 h GLU 37 N 0.26 0.02 -0.63 4.17 4.57 -0.96 -2.63 114.58 119.37 2k22 h GLU 37 Ca -0.06 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2k22 h GLU 37 Cb 1.48 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.07 2k22 h GLU 37 CO 0.15 0.01 0.00 0.66 -1.18 0.00 0.00 179.01 178.65 2k22 n TYR 38 N -5.09 0.84 -0.57 0.92 4.01 0.74 -5.07 117.16 112.95 2k22 n TYR 38 Ca -0.06 -0.42 0.07 0.00 -0.16 0.00 0.00 57.90 57.33 2k22 n TYR 38 Cb 0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 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 1.56 -2.17 0.27 2.72 0.00 0.60 -3.63 105.19 104.53 2k22 n GLY 39 Ca 0.22 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.54 0.19 -0.87 1.61 4.64 -1.88 -1.95 113.55 114.75 2k22 h SER 40 Ca -0.03 -0.02 0.25 0.00 -0.47 0.00 0.00 61.79 61.52 2k22 h SER 40 Cb 0.53 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 2k22 h SER 40 CO 0.02 0.21 0.62 -0.33 -0.87 0.00 0.00 176.83 176.47 2k22 h GLU 41 N 0.22 0.05 0.08 4.77 4.39 -1.88 0.29 114.58 122.50 2k22 h GLU 41 Ca 0.05 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2k22 h GLU 41 Cb 0.10 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2k22 h GLU 41 CO -0.00 0.03 -0.04 0.35 -1.16 0.00 0.00 179.01 178.20 2k22 h PHE 42 N 0.05 -0.10 -0.54 4.33 3.04 -1.41 -1.02 116.94 121.29 2k22 h PHE 42 Ca 0.42 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.36 2k22 h PHE 42 Cb 1.59 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 40.10 2k22 h PHE 42 CO -0.00 0.45 0.30 1.15 -2.02 0.00 0.00 178.31 178.20 2k22 h THR 43 N -0.88 1.16 -0.07 4.41 2.02 -1.34 -0.99 112.91 117.21 2k22 h THR 43 Ca -0.01 -0.39 -0.21 0.00 0.77 0.00 0.00 66.41 66.57 2k22 h THR 43 Cb 0.59 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2k22 h THR 43 CO 0.02 0.18 -0.78 0.11 0.37 0.00 0.00 175.52 175.41 2k22 h LYS 44 N 0.74 0.66 -0.77 6.66 1.57 -0.52 0.29 116.57 125.21 2k22 h LYS 44 Ca 0.19 -0.61 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 2k22 h LYS 44 Cb 0.00 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2k22 h LYS 44 CO -0.03 1.22 0.38 0.37 -0.57 0.00 0.00 179.45 180.81 2k22 h GLN 45 N 0.32 1.10 -0.36 3.15 5.75 -0.79 -0.96 115.11 123.32 2k22 h GLN 45 Ca -0.08 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 2k22 h GLN 45 Cb 1.44 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.79 2k22 h GLN 45 CO 0.16 0.85 0.00 0.00 -2.65 0.00 0.00 178.83 177.19 2k22 n MET 46 N -4.39 2.40 -2.75 1.69 0.00 -0.41 -4.44 117.12 109.22 2k22 n MET 46 Ca 0.07 -2.11 -0.00 0.00 0.00 0.00 0.00 57.70 55.65 2k22 n MET 46 Cb 0.13 -1.50 0.02 0.00 0.00 0.00 0.00 33.22 31.87 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 -1.53 -0.48 -0.59 3.17 5.04 0.10 -4.64 117.35 118.42 2k22 s TYR 47 Ca 0.38 -0.03 -0.16 0.00 -2.44 0.00 0.00 57.07 54.82 2k22 s TYR 47 Cb 0.22 0.09 0.14 0.00 0.35 0.00 0.00 41.96 42.76 2k22 s TYR 47 CO 0.31 -0.35 0.57 0.34 -1.34 0.00 0.00 175.55 175.09 2k22 s ASP 48 N 1.53 6.26 0.00 4.32 2.15 0.10 -3.61 116.67 127.42 2k22 s ASP 48 Ca 0.19 -1.84 0.00 0.00 0.43 0.00 0.00 52.55 51.33 2k22 s ASP 48 Cb 0.06 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 2k22 s ASP 48 CO -0.12 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.61 2k22 n GLY 49 N 5.11 0.99 2.51 2.66 0.00 -1.26 -3.99 105.19 111.21 2k22 n GLY 49 Ca -0.10 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 0.75 -4.99 -3.62 1.61 4.13 -1.26 -4.94 115.26 106.94 2k22 n ASN 50 Ca 0.00 0.33 -0.11 0.00 1.68 0.00 0.00 54.58 56.49 2k22 n ASN 50 Cb 0.25 -3.67 -0.04 0.00 -1.54 0.00 0.00 39.78 34.77 2k22 n ASN 50 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2k22 s ASN 51 N -2.70 -0.27 0.25 6.41 3.84 -1.26 -5.11 114.94 116.11 2k22 s ASN 51 Ca 0.00 -0.26 -0.31 0.00 0.21 0.00 0.00 52.86 52.50 2k22 s ASN 51 Cb 0.00 0.48 -0.12 0.00 -0.55 0.00 0.00 41.25 41.06 2k22 s ASN 51 CO 0.00 -0.85 1.64 0.18 -2.79 0.00 0.00 177.10 175.28 2k22 n LEU 52 N -0.18 4.04 -0.01 3.21 4.77 -1.26 0.01 117.00 127.58 2k22 n LEU 52 Ca -0.16 1.11 -0.00 0.00 -0.03 0.00 0.00 56.01 56.92 2k22 n LEU 52 Cb 0.64 -1.56 -0.00 0.00 -2.33 0.00 0.00 43.42 40.16 2k22 n LEU 52 CO 0.17 0.09 0.03 0.15 -1.33 0.00 0.00 177.39 176.50 2k22 h PHE 53 N 5.65 -0.03 0.00 -1.77 3.57 -1.83 -3.44 116.94 119.10 2k22 h PHE 53 Ca -0.45 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 60.96 2k22 h PHE 53 Cb 1.22 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 2k22 h PHE 53 CO 0.61 -0.02 -0.70 -0.22 -2.23 0.00 0.00 178.31 175.75 2k22 h LYS 54 N -0.40 0.00 0.00 1.11 1.63 -1.93 -3.49 116.57 113.50 2k22 h LYS 54 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2k22 h LYS 54 Cb 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2k22 h LYS 54 CO 0.00 0.45 0.00 0.09 -3.45 0.00 0.00 179.45 176.54 2k22 n ASN 55 N -4.57 0.00 -4.75 4.20 3.02 -1.26 -4.88 115.26 107.03 2k22 n ASN 55 Ca -0.16 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.98 2k22 n ASN 55 Cb 0.41 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.55 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 2.91 -0.25 2.41 1.01 -1.26 -3.80 120.40 121.42 2k22 s VAL 56 Ca 0.00 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.76 2k22 s VAL 56 Cb 0.00 -3.50 0.07 0.00 0.00 0.00 0.00 36.38 32.95 2k22 s VAL 56 CO 0.00 0.13 -0.03 -0.63 0.00 0.00 0.00 175.10 174.58 2k22 s ILE 57 N -0.14 1.45 -0.09 2.22 1.01 -0.76 -4.90 121.20 119.99 2k22 s ILE 57 Ca 0.56 -1.27 0.03 0.00 0.00 0.00 0.00 60.65 59.97 2k22 s ILE 57 Cb -0.39 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.29 2k22 s ILE 57 CO 0.42 -0.20 -0.18 -0.51 0.00 0.00 0.00 174.94 174.47 2k22 s ILE 58 N 1.41 1.66 -0.07 2.92 2.07 -1.26 -1.32 121.20 126.62 2k22 s ILE 58 Ca -0.03 -0.78 0.04 0.00 -1.41 0.00 0.00 60.65 58.48 2k22 s ILE 58 Cb -0.19 -1.47 -0.01 0.00 0.13 0.00 0.00 42.46 40.92 2k22 s ILE 58 CO -0.08 0.47 -0.21 -0.76 -1.91 0.00 0.00 174.94 172.45 2k22 s LEU 59 N 0.60 2.32 -0.08 8.50 1.43 -1.10 -4.91 118.68 125.44 2k22 s LEU 59 Ca -0.14 -0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 52.39 2k22 s LEU 59 Cb -0.17 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 2k22 s LEU 59 CO 0.05 0.24 0.37 0.54 0.23 0.00 0.00 176.35 177.78 2k22 s VAL 60 N -0.13 5.18 -1.75 -1.59 0.11 -1.20 -1.84 120.40 119.18 2k22 s VAL 60 Ca -0.04 0.74 -0.22 0.00 -2.93 0.00 0.00 61.98 59.54 2k22 s VAL 60 Cb -0.14 -3.69 0.21 0.00 -1.53 0.00 0.00 36.38 31.23 2k22 s VAL 60 CO 0.04 0.47 0.60 -0.46 -3.33 0.00 0.00 175.10 172.42 2k22 n ASN 61 N 2.75 -2.10 -3.46 3.54 0.23 0.94 -0.28 115.26 116.88 2k22 n ASN 61 Ca -0.12 -1.10 -0.19 0.00 -0.53 0.00 0.00 54.58 52.64 2k22 n ASN 61 Cb 0.52 -1.81 0.07 0.00 -2.08 0.00 0.00 39.78 36.48 2k22 n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k22 n GLY 62 N -1.09 -0.67 3.18 4.83 0.00 -1.26 -4.89 105.19 105.29 2k22 n GLY 62 Ca 0.10 0.30 0.04 0.00 0.00 0.00 0.00 46.02 46.47 2k22 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k22 s ASN 63 N -3.95 -0.01 0.36 1.61 0.02 0.61 -5.15 114.94 108.42 2k22 s ASN 63 Ca 0.20 0.02 -0.29 0.00 -1.02 0.00 0.00 52.86 51.77 2k22 s ASN 63 Cb -0.04 1.01 -0.11 0.00 0.02 0.00 0.00 41.25 42.14 2k22 s ASN 63 CO 0.77 -0.00 1.53 0.54 0.02 0.00 0.00 177.10 179.95 2k22 s ASN 64 N 1.97 6.33 0.20 -1.22 4.22 -1.26 -3.24 114.94 121.93 2k22 s ASN 64 Ca 0.01 3.05 0.06 0.00 -2.14 0.00 0.00 52.86 53.83 2k22 s ASN 64 Cb -0.00 -2.66 0.11 0.00 1.28 0.00 0.00 41.25 39.98 2k22 s ASN 64 CO -0.16 -0.90 1.46 0.16 -2.04 0.00 0.00 177.10 175.62 2k22 h ILE 65 N 3.08 1.50 -0.09 0.54 3.07 -1.87 -3.11 117.51 120.63 2k22 h ILE 65 Ca -0.50 -2.50 0.03 0.00 1.55 0.00 0.00 64.86 63.44 2k22 h ILE 65 Cb 1.23 2.36 -0.00 0.00 -0.27 0.00 0.00 36.82 40.14 2k22 h ILE 65 CO 0.68 0.72 0.08 0.71 -1.05 0.00 0.00 178.15 179.30 2k22 h THR 66 N 0.07 0.67 -0.69 0.16 1.35 -1.84 -1.24 112.91 111.38 2k22 h THR 66 Ca -0.02 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.98 2k22 h THR 66 Cb 1.36 0.94 -0.10 0.00 -1.73 0.00 0.00 68.15 68.62 2k22 h THR 66 CO 0.11 0.00 0.18 -1.28 -0.25 0.00 0.00 175.52 174.28 2k22 h SER 67 N 0.00 0.05 0.00 5.36 0.87 -1.93 -3.40 113.55 114.49 2k22 h SER 67 Ca 0.04 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2k22 h SER 67 Cb 0.21 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2k22 h SER 67 CO -0.00 0.00 0.00 1.15 -0.53 0.00 0.00 176.83 177.45 2k22 n MET 68 N -5.12 0.00 -4.86 2.24 -0.00 -0.88 -5.07 117.12 103.42 2k22 n MET 68 Ca 0.12 0.00 -0.30 0.00 -0.00 0.00 0.00 57.70 57.52 2k22 n MET 68 Cb 0.40 -0.01 -0.17 0.00 -0.00 0.00 0.00 33.22 33.44 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 -0.47 2.68 0.00 3.17 -0.14 -0.52 -5.07 119.74 119.39 2k22 s LYS 69 Ca 0.00 -0.74 0.00 0.00 -1.36 0.00 0.00 55.97 53.87 2k22 s LYS 69 Cb 0.00 -2.11 0.00 0.00 -1.68 0.00 0.00 37.83 34.04 2k22 s LYS 69 CO 0.00 0.07 0.00 0.41 -0.76 0.00 0.00 175.35 175.07 2k22 n GLY 70 N 3.81 -1.94 0.15 -3.33 0.00 -1.20 -3.01 105.19 99.67 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 -2.93 115.31 117.26 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 -2.50 0.00 -4.72 1.25 9.92 -1.26 -2.64 116.55 116.60 2k22 n ASP 72 Ca 0.04 -0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.88 2k22 n ASP 72 Cb 0.39 -0.31 -0.03 0.00 -0.64 0.00 0.00 41.12 40.53 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 -2.62 2.18 0.62 -3.53 2.01 -1.11 -4.87 115.64 108.32 2k22 s THR 73 Ca 0.22 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.28 2k22 s THR 73 Cb 0.16 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.63 2k22 s THR 73 CO 0.38 0.01 0.92 -1.83 -0.69 0.00 0.00 174.62 173.41 2k22 s GLU 74 N 1.26 2.63 0.03 4.92 -1.05 -1.26 -1.98 118.70 123.24 2k22 s GLU 74 Ca 0.74 -0.19 -0.09 0.00 -0.15 0.00 0.00 54.97 55.28 2k22 s GLU 74 Cb -0.48 -2.27 0.00 0.00 -0.44 0.00 0.00 34.13 30.94 2k22 s GLU 74 CO 0.32 -0.88 0.18 0.96 0.95 0.00 0.00 175.26 176.79 2k22 s ILE 75 N -3.04 0.10 0.48 1.83 -4.36 -0.28 -4.85 121.20 111.08 2k22 s ILE 75 Ca 0.56 -0.86 0.07 0.00 -0.26 0.00 0.00 60.65 60.16 2k22 s ILE 75 Cb -0.11 -0.81 0.01 0.00 1.25 0.00 0.00 42.46 42.80 2k22 s ILE 75 CO 0.44 -0.47 0.38 -0.54 0.24 0.00 0.00 174.94 174.99 2k22 s LYS 76 N -2.29 2.35 0.20 0.37 1.02 -1.26 -4.56 119.74 115.57 2k22 s LYS 76 Ca -0.07 -1.81 -0.05 0.00 0.02 0.00 0.00 55.97 54.05 2k22 s LYS 76 Cb -0.02 -2.20 0.13 0.00 -0.52 0.00 0.00 37.83 35.22 2k22 s LYS 76 CO -0.02 -0.41 1.57 0.38 -0.92 0.00 0.00 175.35 175.95 2k22 h ASP 77 N 0.92 0.78 0.97 2.83 2.03 -1.98 -2.97 116.42 118.99 2k22 h ASP 77 Ca -0.39 -0.33 -0.13 0.00 -0.73 0.00 0.00 57.03 55.45 2k22 h ASP 77 Cb 1.28 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 39.55 2k22 h ASP 77 CO 0.58 1.05 -0.61 -0.78 -1.03 0.00 0.00 179.24 178.45 2k22 h ASP 78 N 0.62 0.00 -3.29 4.15 1.82 -1.97 -3.39 116.42 114.36 2k22 h ASP 78 Ca 0.06 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.15 2k22 h ASP 78 Cb 0.87 0.00 0.19 0.00 0.68 0.00 0.00 39.33 41.07 2k22 h ASP 78 CO 0.08 0.61 -0.38 0.47 -1.61 0.00 0.00 179.24 178.41 2k22 n ASP 79 N -3.49 -1.19 -3.80 2.28 9.92 -1.12 -5.02 116.55 114.13 2k22 n ASP 79 Ca 0.00 0.56 -0.13 0.00 -0.53 0.00 0.00 54.79 54.69 2k22 n ASP 79 Cb 0.69 -1.23 -0.13 0.00 -0.64 0.00 0.00 41.12 39.81 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 -2.95 0.17 -0.10 -1.24 -2.85 -1.26 -4.33 119.74 107.18 2k22 s LYS 80 Ca 0.65 0.26 -0.04 0.00 -1.00 0.00 0.00 55.97 55.84 2k22 s LYS 80 Cb -0.33 0.04 -0.04 0.00 -2.06 0.00 0.00 37.83 35.44 2k22 s LYS 80 CO 0.59 -0.05 0.06 0.42 0.10 0.00 0.00 175.35 176.47 2k22 s ILE 81 N 0.32 4.84 0.15 3.79 1.09 -0.07 -0.04 121.20 131.28 2k22 s ILE 81 Ca -0.02 -0.05 0.11 0.00 -1.10 0.00 0.00 60.65 59.59 2k22 s ILE 81 Cb -0.03 -3.07 -0.04 0.00 -1.06 0.00 0.00 42.46 38.25 2k22 s ILE 81 CO -0.01 0.61 -0.23 -1.81 -0.10 0.00 0.00 174.94 173.40 2k22 s ASP 82 N -0.96 3.55 -0.10 3.58 1.01 -0.76 -3.36 116.67 119.62 2k22 s ASP 82 Ca 0.14 -0.74 0.00 0.00 0.71 0.00 0.00 52.55 52.66 2k22 s ASP 82 Cb -0.12 -0.34 0.02 0.00 1.01 0.00 0.00 42.92 43.50 2k22 s ASP 82 CO 0.03 0.15 -0.09 -0.22 0.21 0.00 0.00 175.17 175.26 2k22 s LEU 83 N -2.37 1.30 -0.05 1.23 1.98 -1.26 -2.71 118.68 116.81 2k22 s LEU 83 Ca 0.18 -0.30 0.06 0.00 -2.89 0.00 0.00 54.13 51.18 2k22 s LEU 83 Cb -0.09 -0.84 -0.02 0.00 0.66 0.00 0.00 46.19 45.90 2k22 s LEU 83 CO 0.09 -0.08 -0.22 -0.36 -1.89 0.00 0.00 176.35 173.89 2k22 s PHE 84 N 1.46 2.50 0.86 5.38 0.08 -0.43 -4.45 117.98 123.37 2k22 s PHE 84 Ca 0.00 -0.48 -0.11 0.00 0.12 0.00 0.00 56.93 56.46 2k22 s PHE 84 Cb -0.13 -1.59 0.11 0.00 -0.57 0.00 0.00 43.02 40.83 2k22 s PHE 84 CO -0.06 -0.06 1.09 -1.25 -0.10 0.00 0.00 175.22 174.85 2k22 s PRO 85 N -0.41 1.56 0.52 0.24 0.04 -1.26 -1.82 135.00 133.87 2k22 s PRO 85 Ca 0.04 0.93 -0.20 0.00 0.04 0.00 0.00 61.00 61.81 2k22 s PRO 85 Cb -0.12 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 2k22 s PRO 85 CO 0.02 -2.06 1.14 -1.25 0.04 0.00 0.00 177.00 174.88 2k22 s PRO 86 N -4.92 3.46 0.57 0.56 0.04 -1.25 -4.59 135.00 128.86 2k22 s PRO 86 Ca 0.63 1.64 0.27 0.00 0.04 0.00 0.00 61.00 63.58 2k22 s PRO 86 Cb -0.18 -2.10 1.51 0.00 0.04 0.00 0.00 34.50 33.78 2k22 s PRO 86 CO 0.57 -0.77 2.03 -0.39 0.04 0.00 0.00 177.00 178.47 2k22 h VAL 87 N 1.36 0.56 -1.13 -0.36 -1.51 -1.90 -0.72 116.25 112.55 2k22 h VAL 87 Ca -0.50 0.00 -0.65 0.00 -1.23 0.00 0.00 66.70 64.33 2k22 h VAL 87 Cb 1.26 0.77 -0.34 0.00 -2.13 0.00 0.00 31.29 30.84 2k22 h VAL 87 CO 0.58 0.00 0.24 0.00 -1.23 0.00 0.00 177.57 177.16 2k22 n ALA 88 N -2.45 5.85 -1.38 5.19 0.00 -1.26 -4.78 120.51 121.69 2k22 n ALA 88 Ca 0.05 -3.76 0.00 0.00 0.00 0.00 0.00 53.44 49.74 2k22 n ALA 88 Cb 0.48 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.75 0.38 0.00 0.00 0.00 -0.28 -5.08 105.19 99.45 2k22 n GLY 89 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93