#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 1.82 -0.06 1.12 -7.23 -0.30 -4.08 120.40 111.67 2k22 s VAL 2 Ca 0.00 -0.98 0.05 0.00 -1.81 0.00 0.00 61.98 59.24 2k22 s VAL 2 Cb 0.00 -1.52 -0.01 0.00 0.56 0.00 0.00 36.38 35.42 2k22 s VAL 2 CO 0.00 0.51 -0.21 -0.89 -0.31 0.00 0.00 175.10 174.20 2k22 s THR 3 N -0.46 1.75 0.16 5.32 2.01 -1.26 -1.59 115.64 121.57 2k22 s THR 3 Ca 0.07 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.28 2k22 s THR 3 Cb -0.10 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2k22 s THR 3 CO -0.00 0.49 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.49 2k22 s VAL 4 N 0.02 2.16 0.16 3.82 1.01 -1.26 -0.08 120.40 126.24 2k22 s VAL 4 Ca -0.06 -1.87 0.11 0.00 0.00 0.00 0.00 61.98 60.16 2k22 s VAL 4 Cb -0.13 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2k22 s VAL 4 CO 0.04 -0.07 -0.25 -0.13 0.00 0.00 0.00 175.10 174.69 2k22 s ARG 5 N -2.40 1.44 -0.11 2.72 0.52 -1.16 -4.60 118.95 115.36 2k22 s ARG 5 Ca 0.16 -1.43 -0.04 0.00 -0.52 0.00 0.00 55.73 53.90 2k22 s ARG 5 Cb -0.09 -1.81 0.06 0.00 0.52 0.00 0.00 34.95 33.63 2k22 s ARG 5 CO 0.07 0.41 0.20 0.71 0.02 0.00 0.00 175.30 176.71 2k22 s TYR 6 N -1.44 -0.28 1.11 -0.53 2.02 -1.26 -3.51 117.35 113.46 2k22 s TYR 6 Ca 0.17 0.73 -0.18 0.00 -0.37 0.00 0.00 57.07 57.42 2k22 s TYR 6 Cb -0.09 -0.18 0.25 0.00 -0.40 0.00 0.00 41.96 41.54 2k22 s TYR 6 CO 0.08 -0.32 1.18 0.71 -1.57 0.00 0.00 175.55 175.63 2k22 s TYR 7 N 2.35 0.95 0.43 2.71 1.51 -1.26 -4.84 117.35 119.19 2k22 s TYR 7 Ca 0.03 0.45 0.14 0.00 -1.01 0.00 0.00 57.07 56.68 2k22 s TYR 7 Cb -0.12 -3.67 1.01 0.00 -0.11 0.00 0.00 41.96 39.07 2k22 s TYR 7 CO -0.07 -3.40 1.96 0.00 -1.11 0.00 0.00 175.55 172.93 2k22 h ALA 8 N -2.22 2.01 -0.48 3.71 0.00 -2.01 -0.36 119.26 119.91 2k22 h ALA 8 Ca -0.45 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.52 2k22 h ALA 8 Cb 1.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2k22 h ALA 8 CO 0.37 -0.16 0.32 1.79 0.00 0.00 0.00 179.25 181.57 2k22 h THR 9 N 0.44 0.94 -1.09 0.00 1.35 -2.01 -1.90 112.91 110.63 2k22 h THR 9 Ca 0.30 -0.12 -0.56 0.00 -0.55 0.00 0.00 66.41 65.48 2k22 h THR 9 Cb 0.60 0.55 -0.22 0.00 -1.73 0.00 0.00 68.15 67.35 2k22 h THR 9 CO -0.09 0.07 0.66 0.18 -0.25 0.00 0.00 175.52 176.09 2k22 n LEU 10 N -4.47 7.01 0.23 3.87 7.99 -0.14 -4.61 117.00 126.88 2k22 n LEU 10 Ca 0.07 -4.09 -0.12 0.00 -0.01 0.00 0.00 56.01 51.86 2k22 n LEU 10 Cb 0.29 -1.09 -0.06 0.00 -0.11 0.00 0.00 43.42 42.44 2k22 n LEU 10 CO 0.35 1.54 0.38 -0.09 -1.51 0.00 0.00 177.39 178.05 2k22 h ARG 11 N 2.35 -0.61 0.00 3.23 2.43 -1.46 -2.76 114.38 117.55 2k22 h ARG 11 Ca 0.46 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 2k22 h ARG 11 Cb 0.65 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2k22 h ARG 11 CO 1.15 -0.33 0.00 -0.35 -1.51 0.00 0.00 179.97 178.93 2k22 n PRO 12 N -5.22 0.25 -0.06 0.20 -0.04 -1.26 -0.20 135.00 128.67 2k22 n PRO 12 Ca -0.09 0.13 -0.03 0.00 -0.04 0.00 0.00 63.50 63.46 2k22 n PRO 12 Cb 0.29 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.24 2k22 n PRO 12 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2k22 h ILE 13 N 0.00 0.02 -0.53 0.52 1.08 -1.87 -3.39 117.51 113.34 2k22 h ILE 13 Ca 0.00 -1.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 2k22 h ILE 13 Cb 0.12 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 33.91 2k22 h ILE 13 CO 0.00 0.01 0.00 1.07 -0.69 0.00 0.00 178.15 178.54 2k22 n THR 14 N -4.67 2.15 -2.94 -0.27 5.66 -1.05 -4.76 114.28 108.41 2k22 n THR 14 Ca -0.05 -1.39 -0.19 0.00 -3.05 0.00 0.00 64.05 59.37 2k22 n THR 14 Cb 0.18 -0.04 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 2k22 n THR 14 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k22 n LYS 15 N 0.60 -3.20 -3.36 1.09 5.02 0.72 -1.89 118.16 117.14 2k22 n LYS 15 Ca 0.25 0.62 -0.18 0.00 -2.02 0.00 0.00 58.31 56.97 2k22 n LYS 15 Cb 0.95 -5.32 0.07 0.00 -0.02 0.00 0.00 35.03 30.71 2k22 n LYS 15 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k22 n LYS 16 N -3.43 -2.74 -3.89 1.97 5.02 -0.79 -5.00 118.16 109.29 2k22 n LYS 16 Ca -0.09 0.79 -0.09 0.00 -2.02 0.00 0.00 58.31 56.91 2k22 n LYS 16 Cb 0.59 -5.56 -0.01 0.00 -0.02 0.00 0.00 35.03 30.03 2k22 n LYS 16 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k22 s LYS 17 N -4.81 1.94 -0.12 1.97 1.02 -0.79 -5.14 119.74 113.80 2k22 s LYS 17 Ca 0.39 -1.30 -0.17 0.00 0.02 0.00 0.00 55.97 54.91 2k22 s LYS 17 Cb -0.07 0.57 0.04 0.00 -0.52 0.00 0.00 37.83 37.86 2k22 s LYS 17 CO 0.76 -0.87 0.43 -2.00 -0.92 0.00 0.00 175.35 172.75 2k22 s GLU 18 N -3.22 0.61 0.18 1.68 2.12 -1.26 -4.78 118.70 114.03 2k22 s GLU 18 Ca 0.17 0.37 -0.18 0.00 0.36 0.00 0.00 54.97 55.69 2k22 s GLU 18 Cb -0.04 0.29 0.04 0.00 0.26 0.00 0.00 34.13 34.67 2k22 s GLU 18 CO 0.11 -0.12 0.52 -1.21 -0.54 0.00 0.00 175.26 174.01 2k22 s GLU 19 N -0.31 1.31 0.28 4.30 2.02 -1.26 -5.11 118.70 119.93 2k22 s GLU 19 Ca -0.05 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.25 2k22 s GLU 19 Cb -0.03 0.52 -0.03 0.00 0.10 0.00 0.00 34.13 34.69 2k22 s GLU 19 CO 0.02 -0.55 0.26 0.95 0.02 0.00 0.00 175.26 175.96 2k22 s THR 20 N -3.84 4.19 0.13 3.63 -4.23 -1.26 -4.15 115.64 110.11 2k22 s THR 20 Ca 0.06 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.29 2k22 s THR 20 Cb -0.01 -3.37 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 2k22 s THR 20 CO -0.06 -0.28 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.27 2k22 s PHE 21 N -2.18 1.22 0.26 3.99 0.40 -0.62 -4.95 117.98 116.10 2k22 s PHE 21 Ca 0.36 -0.72 0.08 0.00 -0.60 0.00 0.00 56.93 56.06 2k22 s PHE 21 Cb -0.07 -0.63 -0.05 0.00 0.51 0.00 0.00 43.02 42.77 2k22 s PHE 21 CO 0.26 0.06 -0.11 0.54 0.70 0.00 0.00 175.22 176.67 2k22 s ASN 22 N -2.93 2.92 0.00 1.36 2.20 -1.26 -1.15 114.94 116.08 2k22 s ASN 22 Ca 0.13 -1.11 0.00 0.00 -0.94 0.00 0.00 52.86 50.94 2k22 s ASN 22 Cb 0.01 -0.19 0.00 0.00 -2.00 0.00 0.00 41.25 39.06 2k22 s ASN 22 CO 0.00 -0.21 0.00 0.61 -2.94 0.00 0.00 177.10 174.57 2k22 n GLY 23 N -0.54 0.30 3.87 0.45 0.00 -1.26 -5.04 105.19 102.98 2k22 n GLY 23 Ca -0.06 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 5.03 -1.22 -0.61 2.07 -1.26 -4.96 121.20 120.25 2k22 s ILE 24 Ca 0.00 0.42 -0.09 0.00 -1.41 0.00 0.00 60.65 59.57 2k22 s ILE 24 Cb 0.00 -3.65 -0.11 0.00 0.13 0.00 0.00 42.46 38.83 2k22 s ILE 24 CO 0.00 0.12 3.07 -1.20 -1.91 0.00 0.00 174.94 175.02 2k22 n SER 25 N 0.41 7.89 -3.82 4.50 7.64 -1.26 -4.83 113.62 124.15 2k22 n SER 25 Ca -0.04 -2.61 -0.11 0.00 1.01 0.00 0.00 58.87 57.12 2k22 n SER 25 Cb 0.52 -1.51 -0.08 0.00 -1.01 0.00 0.00 64.21 62.13 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 1.58 0.67 0.42 1.43 1.02 -1.26 -0.40 119.74 123.21 2k22 s LYS 26 Ca 0.68 -0.49 0.23 0.00 0.02 0.00 0.00 55.97 56.41 2k22 s LYS 26 Cb 0.22 0.29 0.59 0.00 -0.52 0.00 0.00 37.83 38.40 2k22 s LYS 26 CO -0.05 -0.19 1.69 0.82 -0.92 0.00 0.00 175.35 176.69 2k22 h ILE 27 N 3.63 0.36 -0.20 2.17 1.08 -1.16 -3.15 117.51 120.23 2k22 h ILE 27 Ca -0.31 -1.25 0.06 0.00 -0.39 0.00 0.00 64.86 62.96 2k22 h ILE 27 Cb 1.19 1.97 -0.07 0.00 -3.07 0.00 0.00 36.82 36.84 2k22 h ILE 27 CO 0.45 0.18 -0.25 -1.28 -0.69 0.00 0.00 178.15 176.56 2k22 h SER 28 N 0.00 -0.80 0.27 1.72 0.87 -0.76 0.23 113.55 115.07 2k22 h SER 28 Ca -0.00 0.14 -0.20 0.00 -1.23 0.00 0.00 61.79 60.49 2k22 h SER 28 Cb 0.95 0.37 -0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2k22 h SER 28 CO 0.02 -0.29 -0.82 -0.33 -0.53 0.00 0.00 176.83 174.88 2k22 h GLU 29 N -0.28 0.43 -0.05 2.24 4.39 -1.86 -1.70 114.58 117.75 2k22 h GLU 29 Ca 0.12 -0.40 0.02 0.00 0.34 0.00 0.00 59.36 59.45 2k22 h GLU 29 Cb 0.47 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2k22 h GLU 29 CO -0.36 1.04 -0.06 1.25 -1.16 0.00 0.00 179.01 179.72 2k22 h LEU 30 N 0.27 -0.19 -0.10 1.33 7.12 -1.36 0.26 115.31 122.65 2k22 h LEU 30 Ca -0.05 0.04 -0.07 0.00 0.13 0.00 0.00 57.88 57.93 2k22 h LEU 30 Cb 1.42 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.65 2k22 h LEU 30 CO 0.14 -0.09 -0.21 -0.07 -0.13 0.00 0.00 178.44 178.08 2k22 h LEU 31 N -0.09 0.36 -1.10 2.25 3.38 -0.63 0.03 115.31 119.52 2k22 h LEU 31 Ca 0.04 -0.57 0.09 0.00 0.09 0.00 0.00 57.88 57.53 2k22 h LEU 31 Cb 0.15 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 2k22 h LEU 31 CO -0.11 0.86 0.61 -0.08 0.09 0.00 0.00 178.44 179.82 2k22 h GLU 32 N -0.13 0.98 0.01 1.13 4.57 -1.20 0.28 114.58 120.23 2k22 h GLU 32 Ca 0.00 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2k22 h GLU 32 Cb 0.81 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2k22 h GLU 32 CO 0.05 0.65 -0.01 -0.09 -1.18 0.00 0.00 179.01 178.43 2k22 h ARG 33 N 1.01 -0.01 -0.35 1.92 2.43 -0.46 -3.28 114.38 115.64 2k22 h ARG 33 Ca 0.44 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.67 2k22 h ARG 33 Cb 0.33 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2k22 h ARG 33 CO -0.19 0.78 0.24 -0.07 -1.51 0.00 0.00 179.97 179.22 2k22 h LEU 34 N -0.86 0.15 -0.33 3.80 3.38 -0.72 -1.21 115.31 119.52 2k22 h LEU 34 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2k22 h LEU 34 Cb 0.80 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 2k22 h LEU 34 CO 0.00 0.10 -0.10 0.50 0.09 0.00 0.00 178.44 179.03 2k22 h LYS 35 N 0.18 -0.02 0.06 1.13 3.64 -0.50 -1.98 116.57 119.08 2k22 h LYS 35 Ca 0.16 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.29 2k22 h LYS 35 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2k22 h LYS 35 CO -0.02 -0.01 -1.08 0.28 -2.27 0.00 0.00 179.45 176.34 2k22 h VAL 36 N -0.02 1.47 -0.49 2.00 2.07 -1.52 0.52 116.25 120.29 2k22 h VAL 36 Ca 0.16 -2.80 0.10 0.00 0.82 0.00 0.00 66.70 64.98 2k22 h VAL 36 Cb 0.27 2.70 -0.10 0.00 -1.52 0.00 0.00 31.29 32.64 2k22 h VAL 36 CO -0.36 0.82 -0.19 -0.33 0.02 0.00 0.00 177.57 177.53 2k22 h GLU 37 N 0.13 -0.08 0.00 1.57 4.39 -0.69 -3.19 114.58 116.71 2k22 h GLU 37 Ca -0.10 0.01 -0.39 0.00 0.34 0.00 0.00 59.36 59.22 2k22 h GLU 37 Cb 1.76 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 30.36 2k22 h GLU 37 CO 0.18 -0.05 -2.45 0.66 -1.16 0.00 0.00 179.01 176.18 2k22 n TYR 38 N -5.40 0.04 0.00 4.33 4.01 -0.80 -5.09 117.16 114.26 2k22 n TYR 38 Ca 0.04 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2k22 n TYR 38 Cb 0.30 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.33 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 2.17 2.51 0.38 2.72 0.00 0.18 -4.79 105.19 108.37 2k22 n GLY 39 Ca -0.43 -2.07 0.18 0.00 0.00 0.00 0.00 46.02 43.70 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 0.17 -0.72 1.61 4.64 -1.92 -1.13 113.55 116.21 2k22 h SER 40 Ca 0.00 0.01 0.12 0.00 -0.47 0.00 0.00 61.79 61.45 2k22 h SER 40 Cb 0.00 -0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 61.98 2k22 h SER 40 CO 0.00 0.09 0.29 -0.08 -0.87 0.00 0.00 176.83 176.26 2k22 h GLU 41 N 0.19 0.44 0.25 4.77 4.57 -1.88 0.22 114.58 123.13 2k22 h GLU 41 Ca 0.31 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 2k22 h GLU 41 Cb 0.97 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 2k22 h GLU 41 CO -0.05 0.29 -0.12 0.35 -1.18 0.00 0.00 179.01 178.30 2k22 h PHE 42 N 0.45 -0.31 -0.51 0.92 3.57 -1.51 0.26 116.94 119.80 2k22 h PHE 42 Ca 0.38 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.93 2k22 h PHE 42 Cb 0.54 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 2k22 h PHE 42 CO -0.16 -0.06 0.22 1.15 -2.23 0.00 0.00 178.31 177.23 2k22 h THR 43 N -0.54 0.88 0.00 4.41 2.02 -1.39 0.29 112.91 118.59 2k22 h THR 43 Ca -0.03 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 2k22 h THR 43 Cb 0.40 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2k22 h THR 43 CO 0.06 0.08 -0.36 0.11 0.37 0.00 0.00 175.52 175.77 2k22 h LYS 44 N 0.43 0.00 0.01 6.66 1.79 -0.53 0.28 116.57 125.20 2k22 h LYS 44 Ca 0.24 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.48 2k22 h LYS 44 Cb 0.21 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.88 2k22 h LYS 44 CO -0.21 0.36 -0.90 0.37 -1.08 0.00 0.00 179.45 178.00 2k22 h GLN 45 N 0.00 0.60 -0.31 3.15 -0.00 0.89 -3.01 115.11 116.42 2k22 h GLN 45 Ca -0.00 -0.65 0.00 0.00 -0.00 0.00 0.00 58.65 57.99 2k22 h GLN 45 Cb 0.83 0.19 0.00 0.00 0.00 0.00 0.00 27.48 28.50 2k22 h GLN 45 CO 0.05 1.26 0.00 0.00 0.00 0.00 0.00 178.83 180.13 2k22 n MET 46 N -3.98 2.22 -3.00 1.69 0.00 0.90 -4.47 117.12 110.49 2k22 n MET 46 Ca -0.11 -1.85 0.04 0.00 0.00 0.00 0.00 57.70 55.79 2k22 n MET 46 Cb 0.81 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.57 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 -1.60 -0.25 -0.94 3.17 5.04 0.98 -4.70 117.35 119.05 2k22 s TYR 47 Ca 0.36 0.11 -0.19 0.00 -2.44 0.00 0.00 57.07 54.91 2k22 s TYR 47 Cb 0.21 0.04 0.13 0.00 0.35 0.00 0.00 41.96 42.69 2k22 s TYR 47 CO 0.29 -0.15 1.14 0.34 -1.34 0.00 0.00 175.55 175.83 2k22 s ASP 48 N 2.61 6.63 0.00 4.32 2.15 0.87 -3.58 116.67 129.68 2k22 s ASP 48 Ca 0.25 -2.05 0.00 0.00 0.43 0.00 0.00 52.55 51.18 2k22 s ASP 48 Cb 0.01 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 2k22 s ASP 48 CO -0.20 -1.07 0.00 0.61 -0.17 0.00 0.00 175.17 174.34 2k22 n GLY 49 N 5.51 2.26 0.00 2.66 0.00 -1.26 -2.92 105.19 111.44 2k22 n GLY 49 Ca 0.25 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.25 2k22 n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k22 n ASN 50 N 5.92 3.04 -3.88 1.61 0.23 -1.26 -5.06 115.26 115.86 2k22 n ASN 50 Ca 0.00 -0.14 -0.09 0.00 -0.53 0.00 0.00 54.58 53.81 2k22 n ASN 50 Cb 0.00 1.17 -0.06 0.00 -2.08 0.00 0.00 39.78 38.81 2k22 n ASN 50 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2k22 s ASN 51 N -2.30 -0.01 0.91 0.53 4.22 -1.15 -5.10 114.94 112.04 2k22 s ASN 51 Ca -0.01 -0.72 -0.14 0.00 -2.14 0.00 0.00 52.86 49.84 2k22 s ASN 51 Cb 0.03 0.44 -0.02 0.00 1.28 0.00 0.00 41.25 42.98 2k22 s ASN 51 CO 0.20 -0.88 0.18 0.18 -2.04 0.00 0.00 177.10 174.74 2k22 n LEU 52 N -0.20 -1.24 0.01 3.54 7.99 -1.26 -0.09 117.00 125.74 2k22 n LEU 52 Ca -0.10 0.35 -0.01 0.00 -0.01 0.00 0.00 56.01 56.24 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 0.22 -4.04 0.06 0.15 -1.51 0.00 0.00 177.39 172.27 2k22 h PHE 53 N -1.21 -0.07 0.00 -1.77 3.57 -1.78 -3.41 116.94 112.28 2k22 h PHE 53 Ca -0.44 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 60.99 2k22 h PHE 53 Cb 1.30 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 2k22 h PHE 53 CO 0.34 -0.04 -0.58 -0.22 -2.23 0.00 0.00 178.31 175.58 2k22 h LYS 54 N -0.51 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 0.40 0.00 0.09 -3.45 0.00 0.00 179.45 176.50 2k22 n ASN 55 N -4.59 0.00 -4.77 4.20 5.03 -1.26 -4.99 115.26 108.88 2k22 n ASN 55 Ca -0.13 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.91 2k22 n ASN 55 Cb 0.36 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.10 2k22 n ASN 55 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2k22 s VAL 56 N 0.00 2.69 -0.30 2.41 1.01 -1.26 -3.71 120.40 121.25 2k22 s VAL 56 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2k22 s VAL 56 Cb 0.00 -3.44 0.06 0.00 0.00 0.00 0.00 36.38 33.00 2k22 s VAL 56 CO 0.00 0.17 -0.02 -0.63 0.00 0.00 0.00 175.10 174.62 2k22 s ILE 57 N -1.12 2.66 -0.04 2.22 1.01 -0.00 -4.88 121.20 121.04 2k22 s ILE 57 Ca 0.49 -1.62 0.05 0.00 0.00 0.00 0.00 60.65 59.57 2k22 s ILE 57 Cb -0.40 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 2k22 s ILE 57 CO 0.53 -0.17 -0.21 -0.51 0.00 0.00 0.00 174.94 174.58 2k22 s ILE 58 N 1.16 1.70 -0.01 2.92 2.07 -1.26 -0.81 121.20 126.97 2k22 s ILE 58 Ca -0.04 -0.88 0.08 0.00 -1.41 0.00 0.00 60.65 58.40 2k22 s ILE 58 Cb -0.20 -1.44 -0.02 0.00 0.13 0.00 0.00 42.46 40.93 2k22 s ILE 58 CO -0.03 0.48 -0.24 -0.76 -1.91 0.00 0.00 174.94 172.48 2k22 s LEU 59 N -0.16 2.07 -0.26 8.50 1.43 -1.05 -4.78 118.68 124.42 2k22 s LEU 59 Ca -0.01 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2k22 s LEU 59 Cb -0.11 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 44.90 2k22 s LEU 59 CO 0.02 0.29 -0.03 -0.69 0.23 0.00 0.00 176.35 176.16 2k22 s VAL 60 N -0.60 3.04 -1.71 -1.59 1.01 -0.53 -2.35 120.40 117.66 2k22 s VAL 60 Ca 0.09 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2k22 s VAL 60 Cb -0.09 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2k22 s VAL 60 CO -0.00 0.13 0.00 -3.20 0.00 0.00 0.00 175.10 172.03 2k22 n ASN 61 N 4.69 -5.34 -0.40 3.32 4.05 -0.84 -2.09 115.26 118.65 2k22 n ASN 61 Ca -0.16 0.13 -0.01 0.00 0.45 0.00 0.00 54.58 54.99 2k22 n ASN 61 Cb 0.47 -4.42 0.00 0.00 1.23 0.00 0.00 39.78 37.06 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 -0.92 0.60 3.64 8.20 0.00 -1.26 -4.97 105.19 110.49 2k22 n GLY 62 Ca -0.21 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.98 -0.16 0.06 1.61 3.84 -0.89 -5.13 114.94 111.29 2k22 s ASN 63 Ca 0.02 0.28 -0.31 0.00 0.21 0.00 0.00 52.86 53.06 2k22 s ASN 63 Cb -0.01 0.28 -0.06 0.00 -0.55 0.00 0.00 41.25 40.91 2k22 s ASN 63 CO 0.02 -0.07 1.32 0.54 -2.79 0.00 0.00 177.10 176.13 2k22 s ASN 64 N -0.11 6.92 0.47 -4.21 4.22 -1.26 -1.46 114.94 119.51 2k22 s ASN 64 Ca 0.06 2.15 0.13 0.00 -2.14 0.00 0.00 52.86 53.06 2k22 s ASN 64 Cb -0.04 -2.58 1.09 0.00 1.28 0.00 0.00 41.25 41.00 2k22 s ASN 64 CO -0.12 -0.61 2.08 0.16 -2.04 0.00 0.00 177.10 176.58 2k22 h ILE 65 N 4.53 1.01 -0.11 0.54 3.07 -1.86 -0.93 117.51 123.75 2k22 h ILE 65 Ca -0.41 -0.09 0.03 0.00 1.55 0.00 0.00 64.86 65.94 2k22 h ILE 65 Cb 1.20 0.71 -0.00 0.00 -0.27 0.00 0.00 36.82 38.46 2k22 h ILE 65 CO 0.86 0.05 0.10 0.71 -1.05 0.00 0.00 178.15 178.82 2k22 h THR 66 N 0.27 0.66 -0.84 0.16 1.35 -1.85 -1.12 112.91 111.54 2k22 h THR 66 Ca 0.12 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.15 2k22 h THR 66 Cb 0.13 0.92 -0.11 0.00 -1.73 0.00 0.00 68.15 67.37 2k22 h THR 66 CO -0.02 0.00 0.38 -1.28 -0.25 0.00 0.00 175.52 174.35 2k22 h SER 67 N 0.00 0.39 0.00 5.36 0.87 -1.55 -3.40 113.55 115.21 2k22 h SER 67 Ca 0.05 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2k22 h SER 67 Cb 0.26 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2k22 h SER 67 CO -0.00 0.11 0.00 1.15 -0.53 0.00 0.00 176.83 177.56 2k22 n MET 68 N -4.97 0.00 -4.87 2.24 -0.00 -0.82 -5.09 117.12 103.61 2k22 n MET 68 Ca 0.18 0.00 -0.27 0.00 -0.00 0.00 0.00 57.70 57.61 2k22 n MET 68 Cb 0.51 0.00 -0.17 0.00 -0.00 0.00 0.00 33.22 33.56 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 -0.48 2.16 0.00 3.17 -0.14 -0.49 -5.07 119.74 118.90 2k22 s LYS 69 Ca 0.00 -0.62 0.00 0.00 -1.36 0.00 0.00 55.97 53.99 2k22 s LYS 69 Cb 0.00 -1.74 0.00 0.00 -1.68 0.00 0.00 37.83 34.41 2k22 s LYS 69 CO 0.00 0.14 0.00 0.41 -0.76 0.00 0.00 175.35 175.14 2k22 n GLY 70 N 3.52 -2.02 0.16 -3.33 0.00 -1.22 -3.13 105.19 99.16 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 -1.91 -2.93 115.31 115.53 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 -2.57 0.00 -4.70 -0.43 9.92 -1.26 -0.07 116.55 117.43 2k22 n ASP 72 Ca 0.04 -0.07 -0.42 0.00 -0.53 0.00 0.00 54.79 53.81 2k22 n ASP 72 Cb 0.39 -0.28 -0.03 0.00 -0.64 0.00 0.00 41.12 40.56 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 -2.57 2.36 0.35 -3.53 2.01 -1.11 -4.83 115.64 108.33 2k22 s THR 73 Ca 0.23 0.09 -0.26 0.00 0.31 0.00 0.00 61.69 62.06 2k22 s THR 73 Cb 0.16 -3.06 -0.09 0.00 0.01 0.00 0.00 72.50 69.52 2k22 s THR 73 CO 0.37 0.00 1.00 -1.83 -0.69 0.00 0.00 174.62 173.48 2k22 s GLU 74 N 2.00 4.42 -0.10 4.92 -1.05 -1.26 -2.00 118.70 125.63 2k22 s GLU 74 Ca 0.77 1.45 -0.03 0.00 -0.15 0.00 0.00 54.97 57.01 2k22 s GLU 74 Cb -0.47 -2.73 0.05 0.00 -0.44 0.00 0.00 34.13 30.54 2k22 s GLU 74 CO 0.34 0.10 0.12 0.96 0.95 0.00 0.00 175.26 177.73 2k22 s ILE 75 N -1.59 -0.18 0.83 1.83 -4.36 0.47 -4.90 121.20 113.31 2k22 s ILE 75 Ca 0.53 0.20 -0.11 0.00 -0.26 0.00 0.00 60.65 61.01 2k22 s ILE 75 Cb -0.21 -0.36 0.13 0.00 1.25 0.00 0.00 42.46 43.27 2k22 s ILE 75 CO 0.27 0.02 1.16 -0.54 0.24 0.00 0.00 174.94 176.09 2k22 s LYS 76 N 2.22 1.48 0.60 0.37 1.02 -1.26 -4.22 119.74 119.95 2k22 s LYS 76 Ca 0.04 -0.36 0.31 0.00 0.02 0.00 0.00 55.97 55.98 2k22 s LYS 76 Cb -0.13 -2.02 1.87 0.00 -0.52 0.00 0.00 37.83 37.02 2k22 s LYS 76 CO -0.06 -1.79 2.26 0.38 -0.92 0.00 0.00 175.35 175.22 2k22 h ASP 77 N -1.08 0.00 0.69 2.83 3.04 -2.01 -1.24 116.42 118.65 2k22 h ASP 77 Ca -0.44 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.11 2k22 h ASP 77 Cb 1.28 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.57 2k22 h ASP 77 CO 0.50 0.00 -1.12 0.44 -2.04 0.00 0.00 179.24 177.03 2k22 h ASP 78 N 0.00 0.32 -3.28 4.15 3.32 -1.92 -3.40 116.42 115.60 2k22 h ASP 78 Ca -0.00 -0.32 -0.56 0.00 0.02 0.00 0.00 57.03 56.17 2k22 h ASP 78 Cb 0.01 -0.10 0.19 0.00 0.22 0.00 0.00 39.33 39.65 2k22 h ASP 78 CO 0.00 1.22 -0.35 0.47 -1.72 0.00 0.00 179.24 178.86 2k22 n ASP 79 N -3.52 -1.07 -3.76 6.45 9.92 -0.47 -5.02 116.55 119.07 2k22 n ASP 79 Ca -0.06 0.58 -0.13 0.00 -0.53 0.00 0.00 54.79 54.66 2k22 n ASP 79 Cb 0.96 -1.24 -0.11 0.00 -0.64 0.00 0.00 41.12 40.09 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 -2.87 0.32 -0.10 -1.24 -2.85 -1.26 -4.45 119.74 107.29 2k22 s LYS 80 Ca 0.66 0.44 -0.04 0.00 -1.00 0.00 0.00 55.97 56.03 2k22 s LYS 80 Cb -0.34 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.50 2k22 s LYS 80 CO 0.58 -0.07 0.06 0.42 0.10 0.00 0.00 175.35 176.44 2k22 s ILE 81 N 0.40 4.79 -0.00 3.79 1.09 0.89 -1.99 121.20 130.17 2k22 s ILE 81 Ca -0.02 -0.06 0.04 0.00 -1.10 0.00 0.00 60.65 59.51 2k22 s ILE 81 Cb -0.04 -3.05 -0.01 0.00 -1.06 0.00 0.00 42.46 38.30 2k22 s ILE 81 CO -0.02 0.61 -0.14 -1.81 -0.10 0.00 0.00 174.94 173.48 2k22 s ASP 82 N -0.92 1.66 -0.18 3.58 1.11 -0.99 -2.97 116.67 117.97 2k22 s ASP 82 Ca 0.14 -0.29 0.01 0.00 0.18 0.00 0.00 52.55 52.58 2k22 s ASP 82 Cb -0.12 -0.17 0.02 0.00 1.07 0.00 0.00 42.92 43.72 2k22 s ASP 82 CO 0.03 0.15 -0.19 -0.22 1.18 0.00 0.00 175.17 176.11 2k22 s LEU 83 N -0.49 2.18 0.01 1.23 1.98 -1.23 -2.54 118.68 119.82 2k22 s LEU 83 Ca 0.05 -0.62 0.08 0.00 -2.89 0.00 0.00 54.13 50.74 2k22 s LEU 83 Cb -0.06 -1.49 -0.03 0.00 0.66 0.00 0.00 46.19 45.27 2k22 s LEU 83 CO -0.00 0.01 -0.23 -0.36 -1.89 0.00 0.00 176.35 173.88 2k22 s PHE 84 N 1.21 2.43 0.85 5.38 0.40 0.01 -4.24 117.98 124.02 2k22 s PHE 84 Ca 0.03 -0.35 -0.11 0.00 -0.60 0.00 0.00 56.93 55.89 2k22 s PHE 84 Cb -0.14 -1.48 0.10 0.00 0.51 0.00 0.00 43.02 42.02 2k22 s PHE 84 CO -0.10 0.10 1.09 -1.25 0.70 0.00 0.00 175.22 175.76 2k22 s PRO 85 N -0.99 1.61 0.60 0.24 0.04 -1.26 -0.82 135.00 134.42 2k22 s PRO 85 Ca 0.12 0.95 -0.17 0.00 0.04 0.00 0.00 61.00 61.93 2k22 s PRO 85 Cb -0.10 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 2k22 s PRO 85 CO 0.01 -2.03 1.12 -1.25 0.04 0.00 0.00 177.00 174.90 2k22 s PRO 86 N -4.92 3.10 0.57 0.56 0.04 -1.24 -4.43 135.00 128.68 2k22 s PRO 86 Ca 0.63 1.50 0.26 0.00 0.04 0.00 0.00 61.00 63.43 2k22 s PRO 86 Cb -0.18 -1.98 1.66 0.00 0.04 0.00 0.00 34.50 34.04 2k22 s PRO 86 CO 0.57 -1.03 2.21 -0.39 0.04 0.00 0.00 177.00 178.39 2k22 h VAL 87 N 0.65 0.64 0.00 -0.36 -1.51 -1.95 -3.13 116.25 110.60 2k22 h VAL 87 Ca -0.48 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 64.95 2k22 h VAL 87 Cb 1.25 0.97 -0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2k22 h VAL 87 CO 0.56 0.00 -0.56 0.00 -1.23 0.00 0.00 177.57 176.34 2k22 h ALA 88 N 1.97 0.04 0.00 5.19 0.00 -1.93 -3.51 119.26 121.01 2k22 h ALA 88 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2k22 h ALA 88 Cb 0.08 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k22 h ALA 88 CO -0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 2k22 n GLY 89 N 1.61 1.88 0.83 0.00 0.00 -1.18 -5.21 105.19 103.12 2k22 n GLY 89 Ca -0.10 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.22 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93