#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 1.73 -0.14 1.12 -7.23 -0.14 -3.29 120.40 112.44 2k22 s VAL 2 Ca 0.00 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2k22 s VAL 2 Cb 0.00 -1.47 0.02 0.00 0.56 0.00 0.00 36.38 35.50 2k22 s VAL 2 CO 0.00 0.49 -0.13 -0.89 -0.31 0.00 0.00 175.10 174.26 2k22 s THR 3 N -0.17 1.49 -0.12 5.32 2.01 -1.26 -1.55 115.64 121.36 2k22 s THR 3 Ca -0.01 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.42 2k22 s THR 3 Cb -0.12 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 2k22 s THR 3 CO 0.02 0.44 -0.14 0.68 -0.69 0.00 0.00 174.62 174.93 2k22 s VAL 4 N 1.51 2.96 0.32 3.82 -7.23 -1.26 -0.11 120.40 120.41 2k22 s VAL 4 Ca 0.05 -0.70 0.09 0.00 -1.81 0.00 0.00 61.98 59.60 2k22 s VAL 4 Cb -0.13 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 2k22 s VAL 4 CO -0.10 0.53 0.07 -0.60 -0.31 0.00 0.00 175.10 174.69 2k22 s ARG 5 N 0.27 2.27 0.34 4.82 3.52 -1.17 -4.58 118.95 124.42 2k22 s ARG 5 Ca -0.10 -1.58 0.05 0.00 -0.13 0.00 0.00 55.73 53.97 2k22 s ARG 5 Cb -0.16 -2.10 -0.02 0.00 -1.56 0.00 0.00 34.95 31.12 2k22 s ARG 5 CO 0.06 0.17 0.17 0.66 -0.81 0.00 0.00 175.30 175.54 2k22 n TYR 6 N -1.04 -0.12 0.01 5.12 4.01 -1.26 -3.32 117.16 120.56 2k22 n TYR 6 Ca -0.04 -2.38 0.00 0.00 -0.16 0.00 0.00 57.90 55.32 2k22 n TYR 6 Cb 0.61 0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 2k22 n TYR 6 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2k22 n TYR 7 N -0.75 -0.12 0.00 -0.72 9.36 -1.26 -4.93 117.16 118.75 2k22 n TYR 7 Ca -0.02 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2k22 n TYR 7 Cb 0.54 0.38 0.00 0.00 -0.63 0.00 0.00 39.34 39.63 2k22 n TYR 7 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k22 n ALA 8 N -2.56 0.91 0.27 2.98 0.00 -1.26 -4.71 120.51 116.14 2k22 n ALA 8 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2k22 n ALA 8 Cb 0.00 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.21 2k22 n ALA 8 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2k22 h THR 9 N 0.00 0.65 -0.01 0.00 2.02 -1.97 -1.89 112.91 111.72 2k22 h THR 9 Ca 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2k22 h THR 9 Cb 0.00 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2k22 h THR 9 CO 0.00 0.08 -0.40 0.18 0.37 0.00 0.00 175.52 175.75 2k22 n LEU 10 N -3.85 1.35 0.11 2.58 7.99 -1.26 -4.60 117.00 119.32 2k22 n LEU 10 Ca -0.02 -0.70 -0.15 0.00 -0.01 0.00 0.00 56.01 55.12 2k22 n LEU 10 Cb 0.18 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.40 2k22 n LEU 10 CO 0.30 0.27 0.55 -0.09 -1.51 0.00 0.00 177.39 176.91 2k22 h ARG 11 N 1.27 -0.68 0.00 3.23 1.12 -1.62 0.32 114.38 118.03 2k22 h ARG 11 Ca 0.00 0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 2k22 h ARG 11 Cb 0.47 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.59 2k22 h ARG 11 CO 0.00 -0.45 0.00 -0.35 -3.11 0.00 0.00 179.97 176.06 2k22 n PRO 12 N -5.48 0.08 0.01 0.20 -0.04 -1.26 -0.43 135.00 128.09 2k22 n PRO 12 Ca -0.08 0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 2k22 n PRO 12 Cb 0.40 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.42 0.45 0.50 0.52 5.41 -0.16 -4.28 119.36 120.39 2k22 n ILE 13 Ca 0.05 -0.58 0.05 0.00 1.00 0.00 0.00 62.75 63.27 2k22 n ILE 13 Cb 0.15 -0.22 -0.05 0.00 -0.71 0.00 0.00 39.64 38.81 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 -2.49 0.00 -3.12 1.39 5.66 0.96 -4.89 114.28 111.79 2k22 n THR 14 Ca -0.07 -0.27 -0.20 0.00 -3.05 0.00 0.00 64.05 60.46 2k22 n THR 14 Cb 0.67 1.02 0.05 0.00 -1.55 0.00 0.00 70.33 70.51 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 -1.10 -5.25 -3.36 1.09 4.76 0.43 -3.47 118.16 111.26 2k22 n LYS 15 Ca 0.02 0.74 -0.11 0.00 -2.87 0.00 0.00 58.31 56.10 2k22 n LYS 15 Cb 0.17 -5.35 0.00 0.00 -1.84 0.00 0.00 35.03 28.01 2k22 n LYS 15 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k22 n LYS 16 N -3.86 -1.41 -3.15 1.97 5.02 -1.10 -5.01 118.16 110.61 2k22 n LYS 16 Ca -0.05 1.16 0.05 0.00 -2.02 0.00 0.00 58.31 57.44 2k22 n LYS 16 Cb 0.58 -4.42 -0.01 0.00 -0.02 0.00 0.00 35.03 31.17 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 -3.89 0.42 -0.02 1.97 1.02 -1.23 -5.16 119.74 112.85 2k22 s LYS 17 Ca 0.03 0.64 0.01 0.00 0.02 0.00 0.00 55.97 56.68 2k22 s LYS 17 Cb -0.01 0.34 -0.03 0.00 -0.52 0.00 0.00 37.83 37.61 2k22 s LYS 17 CO 0.81 -0.55 -0.01 -2.00 -0.92 0.00 0.00 175.35 172.68 2k22 s GLU 18 N 2.89 2.79 0.17 1.68 2.12 -1.26 -4.95 118.70 122.14 2k22 s GLU 18 Ca 0.13 -0.58 -0.18 0.00 0.36 0.00 0.00 54.97 54.70 2k22 s GLU 18 Cb -0.11 -2.67 0.04 0.00 0.26 0.00 0.00 34.13 31.65 2k22 s GLU 18 CO -0.19 0.64 0.52 -1.21 -0.54 0.00 0.00 175.26 174.47 2k22 s GLU 19 N -1.37 1.30 0.29 4.30 2.02 -1.26 -5.12 118.70 118.86 2k22 s GLU 19 Ca 0.18 -0.75 0.06 0.00 0.02 0.00 0.00 54.97 54.48 2k22 s GLU 19 Cb -0.11 0.53 -0.02 0.00 0.10 0.00 0.00 34.13 34.62 2k22 s GLU 19 CO 0.08 -0.55 0.38 0.95 0.02 0.00 0.00 175.26 176.14 2k22 s THR 20 N -3.83 4.50 0.02 3.63 -4.23 -1.26 -4.31 115.64 110.16 2k22 s THR 20 Ca 0.06 -1.07 0.05 0.00 -1.18 0.00 0.00 61.69 59.55 2k22 s THR 20 Cb -0.00 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.26 2k22 s THR 20 CO -0.07 -0.24 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.27 2k22 s PHE 21 N -2.11 1.24 0.26 3.99 0.40 -0.60 -4.94 117.98 116.21 2k22 s PHE 21 Ca 0.39 -0.31 0.08 0.00 -0.60 0.00 0.00 56.93 56.50 2k22 s PHE 21 Cb -0.09 -0.76 -0.05 0.00 0.51 0.00 0.00 43.02 42.63 2k22 s PHE 21 CO 0.29 0.02 -0.11 1.21 0.70 0.00 0.00 175.22 177.33 2k22 s ASN 22 N -0.82 2.85 0.00 1.36 2.47 -1.26 -0.97 114.94 118.57 2k22 s ASN 22 Ca 0.03 -1.11 0.00 0.00 0.42 0.00 0.00 52.86 52.20 2k22 s ASN 22 Cb -0.07 -0.18 0.00 0.00 -1.45 0.00 0.00 41.25 39.55 2k22 s ASN 22 CO 0.01 -0.23 0.00 0.61 -3.72 0.00 0.00 177.10 173.77 2k22 n GLY 23 N -0.53 3.00 3.54 1.21 0.00 -1.26 -5.05 105.19 106.11 2k22 n GLY 23 Ca -0.06 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 3.18 -0.47 -0.61 2.07 -1.26 -5.05 121.20 119.06 2k22 s ILE 24 Ca 0.00 -1.32 0.05 0.00 -1.41 0.00 0.00 60.65 57.97 2k22 s ILE 24 Cb 0.00 -2.47 0.41 0.00 0.13 0.00 0.00 42.46 40.53 2k22 s ILE 24 CO 0.00 0.13 1.11 -1.20 -1.91 0.00 0.00 174.94 173.08 2k22 n SER 25 N 0.82 4.76 -3.91 4.50 7.64 -1.26 -4.63 113.62 121.53 2k22 n SER 25 Ca -0.14 -3.72 -0.09 0.00 1.01 0.00 0.00 58.87 55.93 2k22 n SER 25 Cb 0.52 -0.49 -0.08 0.00 -1.01 0.00 0.00 64.21 63.15 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 -3.55 0.73 0.34 1.43 1.02 -1.26 -0.35 119.74 118.11 2k22 s LYS 26 Ca 0.48 -0.90 0.18 0.00 0.02 0.00 0.00 55.97 55.75 2k22 s LYS 26 Cb 0.39 0.29 0.41 0.00 -0.52 0.00 0.00 37.83 38.39 2k22 s LYS 26 CO -0.19 -0.20 1.60 0.82 -0.92 0.00 0.00 175.35 176.46 2k22 h ILE 27 N 3.13 0.75 0.19 2.17 1.08 -1.54 -2.85 117.51 120.43 2k22 h ILE 27 Ca -0.33 -1.76 0.01 0.00 -0.39 0.00 0.00 64.86 62.38 2k22 h ILE 27 Cb 1.19 2.15 -0.02 0.00 -3.07 0.00 0.00 36.82 37.06 2k22 h ILE 27 CO 0.55 0.38 -0.22 0.28 -0.69 0.00 0.00 178.15 178.45 2k22 h SER 28 N 0.00 -0.60 0.73 1.72 0.02 -1.82 0.10 113.55 113.71 2k22 h SER 28 Ca -0.00 0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.85 2k22 h SER 28 Cb 1.12 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 2k22 h SER 28 CO 0.05 -0.32 -0.73 -0.33 -1.14 0.00 0.00 176.83 174.37 2k22 h GLU 29 N -0.45 0.00 0.05 3.45 4.39 -1.92 -1.87 114.58 118.23 2k22 h GLU 29 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2k22 h GLU 29 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2k22 h GLU 29 CO -0.07 0.73 -0.02 1.25 -1.16 0.00 0.00 179.01 179.73 2k22 h LEU 30 N 0.00 -0.05 -0.22 1.33 7.12 -1.22 0.24 115.31 122.51 2k22 h LEU 30 Ca -0.01 -0.15 -0.15 0.00 0.13 0.00 0.00 57.88 57.70 2k22 h LEU 30 Cb 1.29 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.43 2k22 h LEU 30 CO 0.09 0.12 -0.45 -0.07 -0.13 0.00 0.00 178.44 178.00 2k22 h LEU 31 N -0.22 0.77 -0.33 2.25 3.38 -0.85 -1.24 115.31 119.06 2k22 h LEU 31 Ca -0.01 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 2k22 h LEU 31 Cb 0.20 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2k22 h LEU 31 CO 0.01 1.18 0.18 -0.08 0.09 0.00 0.00 178.44 179.82 2k22 h GLU 32 N 0.39 0.47 -0.20 1.13 4.57 -1.31 0.26 114.58 119.89 2k22 h GLU 32 Ca 0.00 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 2k22 h GLU 32 Cb 1.06 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 2k22 h GLU 32 CO 0.10 0.40 -0.02 -0.09 -1.18 0.00 0.00 179.01 178.22 2k22 h ARG 33 N 0.41 0.38 -0.10 1.92 2.43 -0.55 -2.94 114.38 115.93 2k22 h ARG 33 Ca 0.12 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2k22 h ARG 33 Cb 0.07 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2k22 h ARG 33 CO -0.02 0.60 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.79 2k22 h LEU 34 N 0.12 0.15 -0.08 3.80 3.38 -1.11 -0.16 115.31 121.41 2k22 h LEU 34 Ca 0.05 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2k22 h LEU 34 Cb 0.44 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2k22 h LEU 34 CO 0.01 0.35 -0.07 0.50 0.09 0.00 0.00 178.44 179.32 2k22 h LYS 35 N 0.15 -0.08 0.06 1.13 3.64 -0.29 -2.19 116.57 118.98 2k22 h LYS 35 Ca 0.03 0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.17 2k22 h LYS 35 Cb 0.41 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2k22 h LYS 35 CO 0.03 -0.05 -1.06 -0.24 -2.27 0.00 0.00 179.45 175.85 2k22 h VAL 36 N -0.09 1.44 -0.44 2.00 3.04 -1.44 0.43 116.25 121.20 2k22 h VAL 36 Ca 0.06 -2.70 0.09 0.00 -1.01 0.00 0.00 66.70 63.14 2k22 h VAL 36 Cb 0.17 2.64 -0.09 0.00 -2.01 0.00 0.00 31.29 31.99 2k22 h VAL 36 CO -0.13 0.80 -0.17 -0.08 -1.01 0.00 0.00 177.57 176.97 2k22 h GLU 37 N 0.16 -0.08 0.05 4.17 4.57 -0.80 -3.13 114.58 119.52 2k22 h GLU 37 Ca -0.10 0.01 -0.37 0.00 -1.18 0.00 0.00 59.36 57.71 2k22 h GLU 37 Cb 1.73 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 30.29 2k22 h GLU 37 CO 0.18 -0.05 -2.24 0.66 -1.18 0.00 0.00 179.01 176.38 2k22 n TYR 38 N -5.37 0.54 0.00 0.92 4.01 -0.84 -5.08 117.16 111.33 2k22 n TYR 38 Ca 0.03 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 2k22 n TYR 38 Cb 0.28 -1.07 0.00 0.00 -0.31 0.00 0.00 39.34 38.24 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 2.06 0.71 0.19 2.72 0.00 0.15 -4.80 105.19 106.21 2k22 n GLY 39 Ca -0.37 -2.20 -0.02 0.00 0.00 0.00 0.00 46.02 43.43 2k22 n GLY 39 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k22 h SER 40 N 0.00 0.19 -0.49 1.61 0.02 -1.92 -3.14 113.55 109.82 2k22 h SER 40 Ca 0.00 -0.08 0.10 0.00 -0.84 0.00 0.00 61.79 60.96 2k22 h SER 40 Cb 0.00 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.40 2k22 h SER 40 CO 0.00 0.62 -0.05 -0.33 -1.14 0.00 0.00 176.83 175.93 2k22 h GLU 41 N 0.15 0.06 0.23 3.45 3.07 -1.90 0.24 114.58 119.88 2k22 h GLU 41 Ca 0.01 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2k22 h GLU 41 Cb 0.85 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 2k22 h GLU 41 CO 0.07 0.04 -0.11 0.35 -1.40 0.00 0.00 179.01 177.96 2k22 h PHE 42 N 0.07 -0.28 -0.66 4.33 3.57 -1.86 0.58 116.94 122.69 2k22 h PHE 42 Ca 0.24 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.82 2k22 h PHE 42 Cb 0.37 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.14 2k22 h PHE 42 CO -0.35 -0.12 0.32 1.15 -2.23 0.00 0.00 178.31 177.08 2k22 h THR 43 N -0.37 0.87 0.00 4.41 2.02 -1.42 0.16 112.91 118.58 2k22 h THR 43 Ca -0.03 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 2k22 h THR 43 Cb 0.29 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2k22 h THR 43 CO 0.05 0.10 -0.30 0.11 0.37 0.00 0.00 175.52 175.85 2k22 h LYS 44 N 0.57 0.00 0.05 6.66 1.79 -0.37 0.29 116.57 125.56 2k22 h LYS 44 Ca 0.32 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.53 2k22 h LYS 44 Cb 0.31 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2k22 h LYS 44 CO -0.25 0.30 -1.05 0.37 -1.08 0.00 0.00 179.45 177.75 2k22 h GLN 45 N 0.00 0.62 -0.37 3.15 -0.00 0.10 -3.10 115.11 115.51 2k22 h GLN 45 Ca -0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 58.65 57.91 2k22 h GLN 45 Cb 0.71 0.22 0.00 0.00 0.00 0.00 0.00 27.48 28.42 2k22 h GLN 45 CO 0.04 1.32 0.00 -0.12 0.00 0.00 0.00 178.83 180.07 2k22 n MET 46 N -3.90 2.26 -3.15 1.69 1.56 0.38 -4.26 117.12 111.71 2k22 n MET 46 Ca -0.12 -1.92 0.06 0.00 -0.27 0.00 0.00 57.70 55.45 2k22 n MET 46 Cb 0.89 -1.47 0.00 0.00 2.15 0.00 0.00 33.22 34.79 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 -1.52 -0.05 -0.70 1.12 5.04 0.10 -4.70 117.35 116.64 2k22 s TYR 47 Ca 0.37 0.03 -0.06 0.00 -2.44 0.00 0.00 57.07 54.97 2k22 s TYR 47 Cb 0.21 0.01 0.18 0.00 0.35 0.00 0.00 41.96 42.71 2k22 s TYR 47 CO 0.29 -0.03 0.56 0.34 -1.34 0.00 0.00 175.55 175.37 2k22 s ASP 48 N 2.99 5.71 0.00 4.32 2.15 -0.80 -3.55 116.67 127.49 2k22 s ASP 48 Ca 0.33 -2.87 0.00 0.00 0.43 0.00 0.00 52.55 50.44 2k22 s ASP 48 Cb 0.01 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 40.67 2k22 s ASP 48 CO -0.22 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 174.98 2k22 n GLY 49 N 3.54 1.37 0.00 2.66 0.00 -1.26 -3.73 105.19 107.77 2k22 n GLY 49 Ca 0.10 -0.43 0.01 0.00 0.00 0.00 0.00 46.02 45.71 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 3.80 4.36 -3.99 1.61 3.02 -1.26 -5.07 115.26 117.73 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 1.08 -0.08 0.00 -0.61 0.00 0.00 39.78 40.17 2k22 n ASN 50 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2k22 s ASN 51 N -2.41 0.16 0.92 6.41 -0.87 -1.24 -5.12 114.94 112.79 2k22 s ASN 51 Ca -0.01 -0.91 -0.14 0.00 -1.57 0.00 0.00 52.86 50.23 2k22 s ASN 51 Cb 0.02 0.36 -0.01 0.00 -0.02 0.00 0.00 41.25 41.60 2k22 s ASN 51 CO 0.12 -0.80 0.21 0.18 -2.57 0.00 0.00 177.10 174.24 2k22 n LEU 52 N -0.13 -1.11 0.01 0.60 7.99 -1.26 -1.90 117.00 121.20 2k22 n LEU 52 Ca -0.09 0.34 -0.01 0.00 -0.01 0.00 0.00 56.01 56.24 2k22 n LEU 52 Cb 0.63 -1.13 -0.01 0.00 -0.11 0.00 0.00 43.42 42.80 2k22 n LEU 52 CO 0.26 -3.99 0.06 0.15 -1.51 0.00 0.00 177.39 172.35 2k22 h PHE 53 N -1.30 -0.07 0.00 -1.77 3.57 -1.78 -3.43 116.94 112.16 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 0.35 -0.04 -0.58 -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 0.41 0.00 0.09 -3.45 0.00 0.00 179.45 176.51 2k22 n ASN 55 N -4.59 0.00 -4.77 4.20 3.02 -1.26 -4.93 115.26 106.92 2k22 n ASN 55 Ca -0.14 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 2k22 n ASN 55 Cb 0.36 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 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 -0.24 2.41 1.01 -1.26 -3.69 120.40 121.33 2k22 s VAL 56 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.69 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 -0.02 -0.63 0.00 0.00 0.00 175.10 174.62 2k22 s ILE 57 N -1.10 1.37 -0.04 2.22 1.01 -0.44 -4.88 121.20 119.34 2k22 s ILE 57 Ca 0.49 -1.22 0.05 0.00 0.00 0.00 0.00 60.65 59.97 2k22 s ILE 57 Cb -0.40 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 2k22 s ILE 57 CO 0.53 -0.21 -0.20 -0.51 0.00 0.00 0.00 174.94 174.54 2k22 s ILE 58 N 1.45 1.67 -0.05 2.92 2.07 -1.26 -0.59 121.20 127.41 2k22 s ILE 58 Ca -0.02 -0.87 0.06 0.00 -1.41 0.00 0.00 60.65 58.41 2k22 s ILE 58 Cb -0.18 -1.42 -0.01 0.00 0.13 0.00 0.00 42.46 40.98 2k22 s ILE 58 CO -0.09 0.47 -0.24 -0.76 -1.91 0.00 0.00 174.94 172.42 2k22 s LEU 59 N -0.15 2.04 -0.28 8.50 1.43 -0.88 -4.89 118.68 124.45 2k22 s LEU 59 Ca -0.01 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 2k22 s LEU 59 Cb -0.11 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 2k22 s LEU 59 CO 0.02 0.24 0.12 -0.69 0.23 0.00 0.00 176.35 176.27 2k22 s VAL 60 N -0.20 4.53 -1.22 -1.59 1.01 -1.24 -1.36 120.40 120.32 2k22 s VAL 60 Ca -0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 2k22 s VAL 60 Cb -0.13 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.04 2k22 s VAL 60 CO 0.03 0.19 1.04 -3.20 0.00 0.00 0.00 175.10 173.16 2k22 n ASN 61 N 4.96 -5.93 -3.47 3.32 4.05 0.82 -2.29 115.26 116.73 2k22 n ASN 61 Ca -0.15 -0.47 -0.25 0.00 0.45 0.00 0.00 54.58 54.16 2k22 n ASN 61 Cb 0.50 -4.56 0.03 0.00 1.23 0.00 0.00 39.78 36.99 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 -1.84 -0.51 3.27 8.20 0.00 -1.26 -4.93 105.19 108.11 2k22 n GLY 62 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.00 -0.34 0.06 1.61 3.84 -0.97 -5.13 114.94 111.01 2k22 s ASN 63 Ca 0.49 0.42 -0.36 0.00 0.21 0.00 0.00 52.86 53.61 2k22 s ASN 63 Cb -0.23 1.37 -0.15 0.00 -0.55 0.00 0.00 41.25 41.68 2k22 s ASN 63 CO 0.60 -0.06 1.52 -0.46 -2.79 0.00 0.00 177.10 175.90 2k22 n ASN 64 N 4.89 2.41 0.12 -4.21 0.23 -1.26 -3.65 115.26 113.80 2k22 n ASN 64 Ca -0.08 1.09 0.18 0.00 -0.53 0.00 0.00 54.58 55.25 2k22 n ASN 64 Cb 0.54 -1.29 0.76 0.00 -2.08 0.00 0.00 39.78 37.72 2k22 n ASN 64 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 2k22 h ILE 65 N 3.82 0.53 -0.04 1.53 3.07 -1.83 0.71 117.51 125.31 2k22 h ILE 65 Ca -0.47 0.00 0.01 0.00 1.55 0.00 0.00 64.86 65.95 2k22 h ILE 65 Cb 1.30 0.77 -0.00 0.00 -0.27 0.00 0.00 36.82 38.61 2k22 h ILE 65 CO 0.85 0.00 0.03 0.71 -1.05 0.00 0.00 178.15 178.70 2k22 h THR 66 N 0.00 0.65 -0.77 0.16 1.35 -1.85 -1.72 112.91 110.72 2k22 h THR 66 Ca 0.15 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.19 2k22 h THR 66 Cb 0.76 0.97 -0.12 0.00 -1.73 0.00 0.00 68.15 68.04 2k22 h THR 66 CO -0.00 0.00 0.20 -1.28 -0.25 0.00 0.00 175.52 174.19 2k22 h SER 67 N 0.00 0.04 0.00 5.36 0.87 -1.20 -3.40 113.55 115.22 2k22 h SER 67 Ca 0.02 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2k22 h SER 67 Cb 0.09 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2k22 h SER 67 CO -0.00 -0.05 0.00 1.15 -0.53 0.00 0.00 176.83 177.40 2k22 n MET 68 N -5.16 0.00 -4.98 2.24 -0.00 -0.94 -5.08 117.12 103.20 2k22 n MET 68 Ca 0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.57 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 -0.46 2.52 0.00 3.17 1.02 -0.69 -5.06 119.74 120.24 2k22 s LYS 69 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.29 2k22 s LYS 69 Cb 0.00 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 2k22 s LYS 69 CO 0.00 0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 2k22 n GLY 70 N 3.61 -1.88 0.15 -3.33 0.00 -1.22 -2.98 105.19 99.54 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 -2.94 115.31 117.25 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 -2.51 0.00 -4.70 1.25 9.92 -1.26 -2.97 116.55 116.27 2k22 n ASP 72 Ca 0.04 0.46 -0.42 0.00 -0.53 0.00 0.00 54.79 54.34 2k22 n ASP 72 Cb 0.39 -0.49 -0.03 0.00 -0.64 0.00 0.00 41.12 40.36 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 -2.97 2.38 0.62 -3.53 2.01 -1.11 -4.87 115.64 108.17 2k22 s THR 73 Ca 0.12 0.10 -0.10 0.00 0.31 0.00 0.00 61.69 62.12 2k22 s THR 73 Cb 0.15 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 2k22 s THR 73 CO 0.41 0.00 1.00 -1.83 -0.69 0.00 0.00 174.62 173.51 2k22 s GLU 74 N 2.02 3.37 -0.18 4.92 -1.05 -1.26 -2.28 118.70 124.23 2k22 s GLU 74 Ca 0.77 0.54 -0.05 0.00 -0.15 0.00 0.00 54.97 56.09 2k22 s GLU 74 Cb -0.47 -2.13 0.09 0.00 -0.44 0.00 0.00 34.13 31.19 2k22 s GLU 74 CO 0.34 -0.63 0.32 0.96 0.95 0.00 0.00 175.26 177.20 2k22 s ILE 75 N -3.14 -0.50 0.61 1.83 -4.36 0.53 -4.85 121.20 111.31 2k22 s ILE 75 Ca 0.54 0.12 0.02 0.00 -0.26 0.00 0.00 60.65 61.08 2k22 s ILE 75 Cb -0.11 -0.62 0.08 0.00 1.25 0.00 0.00 42.46 43.06 2k22 s ILE 75 CO 0.51 0.01 0.84 -0.54 0.24 0.00 0.00 174.94 176.00 2k22 s LYS 76 N 2.48 2.20 0.62 0.37 1.02 -1.26 -4.18 119.74 120.99 2k22 s LYS 76 Ca 0.04 -1.09 0.32 0.00 0.02 0.00 0.00 55.97 55.26 2k22 s LYS 76 Cb -0.13 -2.48 1.83 0.00 -0.52 0.00 0.00 37.83 36.53 2k22 s LYS 76 CO -0.12 -0.98 2.14 0.38 -0.92 0.00 0.00 175.35 175.85 2k22 h ASP 77 N -0.09 0.00 1.25 2.83 2.03 -1.96 0.18 116.42 120.66 2k22 h ASP 77 Ca -0.38 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 55.80 2k22 h ASP 77 Cb 1.28 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.76 2k22 h ASP 77 CO 0.45 0.00 -0.61 -0.78 -1.03 0.00 0.00 179.24 177.28 2k22 h ASP 78 N 0.00 0.00 -4.28 4.15 3.58 -1.93 -3.42 116.42 114.51 2k22 h ASP 78 Ca 0.05 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.98 2k22 h ASP 78 Cb 0.39 0.00 0.16 0.00 1.72 0.00 0.00 39.33 41.60 2k22 h ASP 78 CO -0.00 0.61 0.29 -1.81 -2.88 0.00 0.00 179.24 175.44 2k22 s ASP 79 N -6.53 3.85 -0.11 2.28 1.11 0.63 -5.06 116.67 112.85 2k22 s ASP 79 Ca 0.02 2.02 -0.10 0.00 0.18 0.00 0.00 52.55 54.68 2k22 s ASP 79 Cb 0.09 -2.55 0.03 0.00 1.07 0.00 0.00 42.92 41.56 2k22 s ASP 79 CO 0.75 -2.48 0.29 -1.59 1.18 0.00 0.00 175.17 173.33 2k22 s LYS 80 N -4.69 0.33 -0.13 8.23 0.00 -1.26 -4.47 119.74 117.75 2k22 s LYS 80 Ca 0.65 0.44 -0.05 0.00 0.00 0.00 0.00 55.97 57.00 2k22 s LYS 80 Cb -0.20 0.13 -0.04 0.00 0.00 0.00 0.00 37.83 37.72 2k22 s LYS 80 CO 0.55 -0.06 0.06 0.42 0.00 0.00 0.00 175.35 176.33 2k22 s ILE 81 N 0.32 4.83 -0.02 3.79 1.09 0.85 -0.13 121.20 131.93 2k22 s ILE 81 Ca -0.01 -0.04 0.08 0.00 -1.10 0.00 0.00 60.65 59.58 2k22 s ILE 81 Cb -0.03 -3.11 -0.02 0.00 -1.06 0.00 0.00 42.46 38.24 2k22 s ILE 81 CO -0.01 0.56 -0.25 -1.81 -0.10 0.00 0.00 174.94 173.32 2k22 s ASP 82 N -0.49 3.10 -0.19 3.58 1.01 -0.47 -3.01 116.67 120.20 2k22 s ASP 82 Ca 0.10 -0.46 0.01 0.00 0.71 0.00 0.00 52.55 52.91 2k22 s ASP 82 Cb -0.12 -0.37 0.04 0.00 1.01 0.00 0.00 42.92 43.48 2k22 s ASP 82 CO 0.02 0.32 -0.11 -0.22 0.21 0.00 0.00 175.17 175.39 2k22 s LEU 83 N -0.61 2.21 -0.07 1.23 1.98 -1.21 -2.08 118.68 120.13 2k22 s LEU 83 Ca 0.10 -0.83 0.03 0.00 -2.89 0.00 0.00 54.13 50.54 2k22 s LEU 83 Cb -0.10 -1.23 -0.02 0.00 0.66 0.00 0.00 46.19 45.49 2k22 s LEU 83 CO -0.01 -0.13 -0.16 -0.36 -1.89 0.00 0.00 176.35 173.80 2k22 s PHE 84 N 1.40 2.66 0.86 5.38 0.08 0.24 -4.24 117.98 124.37 2k22 s PHE 84 Ca -0.00 -0.36 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 2k22 s PHE 84 Cb -0.16 -1.66 0.11 0.00 -0.57 0.00 0.00 43.02 40.74 2k22 s PHE 84 CO -0.09 0.03 1.09 -1.25 -0.10 0.00 0.00 175.22 174.90 2k22 s PRO 85 N -0.40 1.56 0.55 0.24 0.04 -1.26 -1.33 135.00 134.40 2k22 s PRO 85 Ca 0.04 0.93 -0.19 0.00 0.04 0.00 0.00 61.00 61.82 2k22 s PRO 85 Cb -0.12 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2k22 s PRO 85 CO 0.02 -2.06 1.13 -1.25 0.04 0.00 0.00 177.00 174.88 2k22 s PRO 86 N -4.92 3.32 0.51 0.56 0.04 -1.24 -4.57 135.00 128.70 2k22 s PRO 86 Ca 0.63 1.60 0.28 0.00 0.04 0.00 0.00 61.00 63.55 2k22 s PRO 86 Cb -0.18 -2.00 1.40 0.00 0.04 0.00 0.00 34.50 33.76 2k22 s PRO 86 CO 0.57 -0.87 1.88 -0.39 0.04 0.00 0.00 177.00 178.23 2k22 h VAL 87 N 1.12 0.58 0.00 -0.36 -1.51 -1.92 -2.65 116.25 111.51 2k22 h VAL 87 Ca -0.50 -0.03 -0.01 0.00 -1.23 0.00 0.00 66.70 64.93 2k22 h VAL 87 Cb 1.26 0.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2k22 h VAL 87 CO 0.57 0.02 -0.21 0.00 -1.23 0.00 0.00 177.57 176.71 2k22 h ALA 88 N 1.57 0.01 0.00 5.19 0.00 -1.93 -3.51 119.26 120.59 2k22 h ALA 88 Ca 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2k22 h ALA 88 Cb 1.59 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2k22 h ALA 88 CO -0.05 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2k22 n GLY 89 N 1.70 1.35 0.48 0.00 0.00 -1.00 -5.21 105.19 102.51 2k22 n GLY 89 Ca -0.04 -2.25 0.14 0.00 0.00 0.00 0.00 46.02 43.87 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93