#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 1.59 -0.19 1.12 -7.23 0.85 -3.98 120.40 112.55 2k22 s VAL 2 Ca 0.00 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 2k22 s VAL 2 Cb 0.00 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 35.63 2k22 s VAL 2 CO 0.00 0.45 -0.15 -0.89 -0.31 0.00 0.00 175.10 174.20 2k22 s THR 3 N -0.18 1.89 -0.03 5.32 2.01 -1.26 -1.36 115.64 122.03 2k22 s THR 3 Ca 0.00 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 60.92 2k22 s THR 3 Cb -0.10 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 2k22 s THR 3 CO 0.01 0.32 0.20 -0.69 -0.69 0.00 0.00 174.62 173.77 2k22 s VAL 4 N 1.31 5.42 -0.05 3.82 1.01 -1.25 -0.11 120.40 130.55 2k22 s VAL 4 Ca 0.01 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2k22 s VAL 4 Cb -0.15 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2k22 s VAL 4 CO -0.10 0.41 -0.12 -0.60 0.00 0.00 0.00 175.10 174.69 2k22 s ARG 5 N -1.67 2.56 0.21 2.72 3.52 -0.64 -4.77 118.95 120.88 2k22 s ARG 5 Ca 0.24 -0.66 0.09 0.00 -0.13 0.00 0.00 55.73 55.27 2k22 s ARG 5 Cb -0.13 -2.44 -0.05 0.00 -1.56 0.00 0.00 34.95 30.78 2k22 s ARG 5 CO 0.14 0.63 -0.16 0.71 -0.81 0.00 0.00 175.30 175.81 2k22 s TYR 6 N -0.78 1.83 0.02 5.12 2.02 -1.26 -2.17 117.35 122.13 2k22 s TYR 6 Ca 0.12 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 2k22 s TYR 6 Cb -0.11 -0.86 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 2k22 s TYR 6 CO 0.01 0.41 0.00 0.98 -1.57 0.00 0.00 175.55 175.38 2k22 n TYR 7 N -0.23 -0.10 0.00 2.71 9.36 -1.26 -4.98 117.16 122.65 2k22 n TYR 7 Ca -0.09 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.15 2k22 n TYR 7 Cb 0.59 0.16 0.00 0.00 -0.63 0.00 0.00 39.34 39.46 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 -2.63 1.58 0.22 2.98 0.00 -1.26 -4.84 120.51 116.57 2k22 n ALA 8 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2k22 n ALA 8 Cb 0.00 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.28 2k22 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k22 h THR 9 N 0.00 0.53 -1.22 0.00 1.03 -1.98 -1.73 112.91 109.54 2k22 h THR 9 Ca 0.00 0.00 -0.60 0.00 -0.01 0.00 0.00 66.41 65.80 2k22 h THR 9 Cb 0.00 0.87 -0.39 0.00 -1.07 0.00 0.00 68.15 67.56 2k22 h THR 9 CO 0.00 0.00 -0.38 0.18 -0.01 0.00 0.00 175.52 175.31 2k22 n LEU 10 N -3.89 5.45 -0.07 0.00 4.32 -1.26 -4.76 117.00 116.79 2k22 n LEU 10 Ca 0.01 -4.89 -0.04 0.00 -0.02 0.00 0.00 56.01 51.06 2k22 n LEU 10 Cb 0.28 -0.54 -0.02 0.00 -1.62 0.00 0.00 43.42 41.52 2k22 n LEU 10 CO 0.28 2.05 -0.25 -0.09 -1.22 0.00 0.00 177.39 178.17 2k22 h ARG 11 N 2.41 0.00 0.00 3.23 2.43 -1.63 -3.31 114.38 117.50 2k22 h ARG 11 Ca 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2k22 h ARG 11 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2k22 h ARG 11 CO 0.96 0.07 0.00 -0.35 -1.51 0.00 0.00 179.97 179.14 2k22 n PRO 12 N -4.65 0.32 -0.97 0.20 -0.04 -1.26 -2.41 135.00 126.19 2k22 n PRO 12 Ca -0.06 0.09 0.01 0.00 -0.04 0.00 0.00 63.50 63.49 2k22 n PRO 12 Cb 0.22 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.34 2k22 n PRO 12 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2k22 n ILE 13 N -1.17 2.05 -0.92 0.52 -5.35 -1.26 -4.60 119.36 108.63 2k22 n ILE 13 Ca 0.09 -3.21 0.00 0.00 -0.27 0.00 0.00 62.75 59.36 2k22 n ILE 13 Cb 0.09 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.74 2k22 n ILE 13 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 2k22 n THR 14 N -0.90 0.06 -2.41 7.28 5.66 -1.01 -4.86 114.28 118.11 2k22 n THR 14 Ca 0.22 -0.07 -0.17 0.00 -3.05 0.00 0.00 64.05 60.98 2k22 n THR 14 Cb 0.78 1.12 -0.01 0.00 -1.55 0.00 0.00 70.33 70.67 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 -0.03 -1.92 -3.86 1.09 3.00 -1.26 -1.79 118.16 113.40 2k22 n LYS 15 Ca 0.00 0.84 -0.25 0.00 -0.00 0.00 0.00 58.31 58.89 2k22 n LYS 15 Cb 0.44 -5.47 0.01 0.00 0.00 0.00 0.00 35.03 30.01 2k22 n LYS 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k22 n LYS 16 N -2.92 -4.40 -3.64 1.64 5.02 -1.25 -4.94 118.16 107.66 2k22 n LYS 16 Ca -0.20 0.53 -0.02 0.00 -2.02 0.00 0.00 58.31 56.59 2k22 n LYS 16 Cb 0.65 -5.03 -0.05 0.00 -0.02 0.00 0.00 35.03 30.58 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 -6.35 0.06 -0.01 1.97 2.20 -0.74 -5.17 119.74 111.70 2k22 s LYS 17 Ca 0.19 0.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.85 2k22 s LYS 17 Cb -0.10 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.22 2k22 s LYS 17 CO 0.85 -0.01 -0.03 -2.00 -0.36 0.00 0.00 175.35 173.79 2k22 s GLU 18 N -0.63 2.71 0.15 4.03 2.12 -1.26 -4.84 118.70 120.98 2k22 s GLU 18 Ca 0.08 -0.63 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 2k22 s GLU 18 Cb -0.02 -2.61 0.00 0.00 0.26 0.00 0.00 34.13 31.76 2k22 s GLU 18 CO -0.11 0.63 0.31 -1.83 -0.54 0.00 0.00 175.26 173.71 2k22 s GLU 19 N -1.40 1.10 0.31 4.30 -1.05 -1.26 -5.14 118.70 115.56 2k22 s GLU 19 Ca 0.18 -1.03 0.06 0.00 -0.15 0.00 0.00 54.97 54.02 2k22 s GLU 19 Cb -0.11 0.40 -0.02 0.00 -0.44 0.00 0.00 34.13 33.96 2k22 s GLU 19 CO 0.08 -0.41 0.42 0.95 0.95 0.00 0.00 175.26 177.25 2k22 s THR 20 N -3.91 4.40 0.01 1.83 -4.23 -1.26 -4.41 115.64 108.07 2k22 s THR 20 Ca 0.12 -1.02 0.04 0.00 -1.18 0.00 0.00 61.69 59.64 2k22 s THR 20 Cb 0.03 -3.53 -0.01 0.00 1.34 0.00 0.00 72.50 70.33 2k22 s THR 20 CO -0.04 -0.21 -0.12 0.12 -0.54 0.00 0.00 174.62 173.83 2k22 s PHE 21 N -2.12 1.02 0.25 3.99 5.36 -0.46 -4.95 117.98 121.06 2k22 s PHE 21 Ca 0.41 -0.27 0.07 0.00 -0.96 0.00 0.00 56.93 56.19 2k22 s PHE 21 Cb -0.09 -0.63 -0.05 0.00 -0.34 0.00 0.00 43.02 41.90 2k22 s PHE 21 CO 0.30 -0.00 -0.11 1.21 -1.46 0.00 0.00 175.22 175.16 2k22 s ASN 22 N -0.70 2.73 0.00 6.13 2.47 -1.26 -0.10 114.94 124.21 2k22 s ASN 22 Ca 0.02 -1.11 0.00 0.00 0.42 0.00 0.00 52.86 52.19 2k22 s ASN 22 Cb -0.06 -0.16 0.00 0.00 -1.45 0.00 0.00 41.25 39.58 2k22 s ASN 22 CO 0.00 -0.24 0.00 0.61 -3.72 0.00 0.00 177.10 173.75 2k22 n GLY 23 N -0.50 2.92 3.54 1.21 0.00 -1.26 -5.03 105.19 106.08 2k22 n GLY 23 Ca -0.06 -0.74 -0.29 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 3.16 -0.51 -0.61 2.07 -1.26 -5.05 121.20 118.99 2k22 s ILE 24 Ca 0.00 -1.39 0.04 0.00 -1.41 0.00 0.00 60.65 57.89 2k22 s ILE 24 Cb 0.00 -2.48 0.40 0.00 0.13 0.00 0.00 42.46 40.51 2k22 s ILE 24 CO 0.00 0.09 1.15 -1.54 -1.91 0.00 0.00 174.94 172.72 2k22 n SER 25 N 0.67 4.89 -3.94 4.50 3.41 -1.26 -4.71 113.62 117.18 2k22 n SER 25 Ca -0.14 -3.72 -0.09 0.00 -0.26 0.00 0.00 58.87 54.66 2k22 n SER 25 Cb 0.53 -0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 63.87 2k22 n SER 25 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2k22 s LYS 26 N -3.58 1.04 0.12 4.33 2.47 -1.26 -0.80 119.74 122.07 2k22 s LYS 26 Ca 0.48 -1.13 0.12 0.00 -1.56 0.00 0.00 55.97 53.88 2k22 s LYS 26 Cb 0.37 0.36 -0.13 0.00 -1.46 0.00 0.00 37.83 36.97 2k22 s LYS 26 CO -0.19 -0.36 1.13 0.82 0.16 0.00 0.00 175.35 176.91 2k22 h ILE 27 N 2.63 1.10 0.36 5.43 1.08 -1.25 -2.74 117.51 124.12 2k22 h ILE 27 Ca -0.33 -2.70 -0.01 0.00 -0.39 0.00 0.00 64.86 61.43 2k22 h ILE 27 Cb 1.22 2.50 -0.01 0.00 -3.07 0.00 0.00 36.82 37.47 2k22 h ILE 27 CO 0.52 0.63 -0.22 -1.28 -0.69 0.00 0.00 178.15 177.10 2k22 h SER 28 N 0.00 -0.56 0.08 1.72 0.87 -0.63 -0.31 113.55 114.72 2k22 h SER 28 Ca -0.09 0.03 -0.23 0.00 -1.23 0.00 0.00 61.79 60.27 2k22 h SER 28 Cb 1.68 0.17 0.01 0.00 -0.44 0.00 0.00 62.40 63.81 2k22 h SER 28 CO 0.09 -0.36 -0.90 -0.08 -0.53 0.00 0.00 176.83 175.05 2k22 h GLU 29 N -0.56 0.62 -0.09 2.24 4.57 -1.85 -1.27 114.58 118.23 2k22 h GLU 29 Ca -0.04 -0.59 0.04 0.00 -1.18 0.00 0.00 59.36 57.59 2k22 h GLU 29 Cb 0.46 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 2k22 h GLU 29 CO 0.04 1.21 -0.16 1.25 -1.18 0.00 0.00 179.01 180.16 2k22 h LEU 30 N 0.38 -0.49 -0.06 1.64 5.85 -1.40 0.25 115.31 121.48 2k22 h LEU 30 Ca -0.08 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 2k22 h LEU 30 Cb 1.54 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.79 2k22 h LEU 30 CO 0.17 -0.21 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.77 2k22 h LEU 31 N -0.22 0.29 -1.30 2.25 3.38 -1.13 -2.64 115.31 115.95 2k22 h LEU 31 Ca 0.08 -0.63 0.16 0.00 0.09 0.00 0.00 57.88 57.58 2k22 h LEU 31 Cb 0.34 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 2k22 h LEU 31 CO -0.22 0.87 0.58 -0.08 0.09 0.00 0.00 178.44 179.68 2k22 h GLU 32 N -0.27 0.63 0.04 1.13 4.81 -1.08 0.33 114.58 120.18 2k22 h GLU 32 Ca -0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2k22 h GLU 32 Cb 0.85 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2k22 h GLU 32 CO 0.05 0.42 -0.02 -0.09 -0.73 0.00 0.00 179.01 178.63 2k22 h ARG 33 N 0.65 -0.05 -0.03 1.92 9.65 -0.50 -3.17 114.38 122.85 2k22 h ARG 33 Ca 0.47 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.32 2k22 h ARG 33 Cb 0.81 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.40 2k22 h ARG 33 CO -0.22 0.45 -0.12 -0.07 2.80 0.00 0.00 179.97 182.81 2k22 h LEU 34 N -0.59 0.04 -0.44 3.80 -0.00 -0.99 -2.33 115.31 114.80 2k22 h LEU 34 Ca -0.01 -0.01 0.09 0.00 -0.00 0.00 0.00 57.88 57.96 2k22 h LEU 34 Cb 0.53 -0.01 -0.08 0.00 -0.00 0.00 0.00 40.66 41.10 2k22 h LEU 34 CO 0.01 0.17 -0.07 0.50 -0.00 0.00 0.00 178.44 179.05 2k22 h LYS 35 N 0.05 0.04 0.02 1.13 3.64 -0.34 -1.37 116.57 119.73 2k22 h LYS 35 Ca 0.01 -0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 2k22 h LYS 35 Cb 0.24 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2k22 h LYS 35 CO 0.02 0.03 -0.98 0.28 -2.27 0.00 0.00 179.45 176.52 2k22 h VAL 36 N 0.04 1.41 -0.39 2.00 2.07 -1.55 0.41 116.25 120.23 2k22 h VAL 36 Ca 0.22 -2.51 0.08 0.00 0.82 0.00 0.00 66.70 65.31 2k22 h VAL 36 Cb 0.33 2.48 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 2k22 h VAL 36 CO -0.42 0.75 -0.16 -0.33 0.02 0.00 0.00 177.57 177.43 2k22 h GLU 37 N 0.22 -0.07 0.08 1.57 5.08 -0.82 -3.09 114.58 117.54 2k22 h GLU 37 Ca -0.09 0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 57.92 2k22 h GLU 37 Cb 1.63 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.86 2k22 h GLU 37 CO 0.17 -0.05 -2.06 0.66 -1.00 0.00 0.00 179.01 176.73 2k22 n TYR 38 N -5.35 0.93 0.00 4.33 4.01 -0.59 -5.10 117.16 115.39 2k22 n TYR 38 Ca 0.02 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 2k22 n TYR 38 Cb 0.26 -1.13 0.00 0.00 -0.31 0.00 0.00 39.34 38.16 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 1.97 0.37 0.20 2.72 0.00 0.14 -4.77 105.19 105.82 2k22 n GLY 39 Ca -0.32 -2.25 -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 0.26 -0.93 1.61 0.02 -1.92 -2.99 113.55 109.60 2k22 h SER 40 Ca 0.00 -0.10 0.15 0.00 -0.84 0.00 0.00 61.79 61.00 2k22 h SER 40 Cb 0.00 -0.07 -0.10 0.00 0.14 0.00 0.00 62.40 62.37 2k22 h SER 40 CO 0.00 0.62 0.53 -0.33 -1.14 0.00 0.00 176.83 176.52 2k22 h GLU 41 N 0.22 0.73 0.24 3.45 5.08 -1.90 0.44 114.58 122.84 2k22 h GLU 41 Ca 0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2k22 h GLU 41 Cb 0.77 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2k22 h GLU 41 CO 0.06 0.48 -0.12 0.35 -1.00 0.00 0.00 179.01 178.78 2k22 h PHE 42 N 0.75 -0.30 -0.90 4.33 3.57 -1.83 0.26 116.94 122.82 2k22 h PHE 42 Ca 0.51 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.07 2k22 h PHE 42 Cb 0.70 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.47 2k22 h PHE 42 CO -0.04 -0.05 0.56 1.15 -2.23 0.00 0.00 178.31 177.70 2k22 h THR 43 N -0.53 1.02 0.00 4.41 2.02 -1.42 0.31 112.91 118.72 2k22 h THR 43 Ca -0.03 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.71 2k22 h THR 43 Cb 0.39 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2k22 h THR 43 CO 0.05 0.18 -0.48 0.11 0.37 0.00 0.00 175.52 175.75 2k22 h LYS 44 N 0.99 0.00 0.00 6.66 1.57 -0.83 0.28 116.57 125.24 2k22 h LYS 44 Ca 0.40 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.10 2k22 h LYS 44 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2k22 h LYS 44 CO -0.20 0.48 -0.53 0.37 -0.57 0.00 0.00 179.45 179.01 2k22 h GLN 45 N 0.00 0.00 -0.18 3.15 5.75 0.10 -3.27 115.11 120.66 2k22 h GLN 45 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2k22 h GLN 45 Cb 1.11 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.66 2k22 h GLN 45 CO 0.06 0.36 0.00 0.00 -2.65 0.00 0.00 178.83 176.60 2k22 n MET 46 N -3.14 1.76 -3.15 1.69 0.00 0.96 -4.65 117.12 110.59 2k22 n MET 46 Ca 0.01 -1.59 0.06 0.00 0.00 0.00 0.00 57.70 56.18 2k22 n MET 46 Cb 0.70 -1.22 -0.01 0.00 0.00 0.00 0.00 33.22 32.69 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 -0.92 -0.26 -0.76 3.17 5.04 0.98 -4.67 117.35 119.92 2k22 s TYR 47 Ca 0.17 0.23 -0.10 0.00 -2.44 0.00 0.00 57.07 54.93 2k22 s TYR 47 Cb 0.10 0.07 0.20 0.00 0.35 0.00 0.00 41.96 42.68 2k22 s TYR 47 CO 0.13 -0.14 0.66 0.34 -1.34 0.00 0.00 175.55 175.20 2k22 s ASP 48 N 2.98 6.21 0.00 4.32 2.15 0.84 -3.67 116.67 129.50 2k22 s ASP 48 Ca 0.05 -2.78 0.00 0.00 0.43 0.00 0.00 52.55 50.25 2k22 s ASP 48 Cb -0.06 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 2k22 s ASP 48 CO -0.13 -0.49 0.00 0.61 -0.17 0.00 0.00 175.17 174.99 2k22 n GLY 49 N 3.75 1.57 0.00 2.66 0.00 -1.26 -3.43 105.19 108.48 2k22 n GLY 49 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2k22 n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k22 n ASN 50 N 4.70 0.41 -3.75 1.61 2.85 -1.26 -5.07 115.26 114.74 2k22 n ASN 50 Ca 0.00 -0.70 -0.10 0.00 -0.11 0.00 0.00 54.58 53.67 2k22 n ASN 50 Cb 0.00 0.47 -0.04 0.00 1.24 0.00 0.00 39.78 41.44 2k22 n ASN 50 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2k22 s ASN 51 N -0.47 -0.21 0.98 1.20 -0.87 -1.22 -5.14 114.94 109.22 2k22 s ASN 51 Ca 0.00 -0.51 -0.15 0.00 -1.57 0.00 0.00 52.86 50.63 2k22 s ASN 51 Cb 0.00 0.53 -0.01 0.00 -0.02 0.00 0.00 41.25 41.76 2k22 s ASN 51 CO 0.00 -0.99 0.02 0.18 -2.57 0.00 0.00 177.10 173.74 2k22 n LEU 52 N -0.30 -1.88 0.01 0.60 7.99 -1.26 -0.11 117.00 122.05 2k22 n LEU 52 Ca -0.11 0.23 -0.01 0.00 -0.01 0.00 0.00 56.01 56.12 2k22 n LEU 52 Cb 0.63 -1.05 -0.01 0.00 -0.11 0.00 0.00 43.42 42.88 2k22 n LEU 52 CO 0.18 -4.09 0.06 0.15 -1.51 0.00 0.00 177.39 172.18 2k22 h PHE 53 N -1.47 -0.07 0.00 -1.77 3.57 -1.82 -3.40 116.94 111.98 2k22 h PHE 53 Ca -0.44 -0.00 -0.06 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 0.31 -0.04 -0.57 -0.22 -2.23 0.00 0.00 178.31 175.56 2k22 h LYS 54 N -0.50 0.00 0.00 1.11 3.64 -1.93 -3.49 116.57 115.40 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 0.36 0.00 0.09 -2.27 0.00 0.00 179.45 177.64 2k22 n ASN 55 N -4.60 0.00 -4.77 4.20 5.03 -1.26 -4.97 115.26 108.89 2k22 n ASN 55 Ca -0.13 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.92 2k22 n ASN 55 Cb 0.35 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.09 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 -0.25 2.41 1.01 -1.26 -3.77 120.40 121.23 2k22 s VAL 56 Ca 0.00 0.70 0.01 0.00 0.00 0.00 0.00 61.98 62.68 2k22 s VAL 56 Cb 0.00 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 33.00 2k22 s VAL 56 CO 0.00 0.16 -0.02 -0.63 0.00 0.00 0.00 175.10 174.61 2k22 s ILE 57 N -1.10 1.49 -0.06 2.22 1.01 -0.28 -4.87 121.20 119.61 2k22 s ILE 57 Ca 0.49 -1.32 0.05 0.00 0.00 0.00 0.00 60.65 59.88 2k22 s ILE 57 Cb -0.40 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 2k22 s ILE 57 CO 0.53 -0.21 -0.23 -0.51 0.00 0.00 0.00 174.94 174.52 2k22 s ILE 58 N 1.39 1.90 0.10 2.92 2.07 -1.26 0.19 121.20 128.51 2k22 s ILE 58 Ca -0.03 -0.97 0.10 0.00 -1.41 0.00 0.00 60.65 58.34 2k22 s ILE 58 Cb -0.19 -1.62 -0.04 0.00 0.13 0.00 0.00 42.46 40.75 2k22 s ILE 58 CO -0.08 0.53 -0.25 -0.76 -1.91 0.00 0.00 174.94 172.47 2k22 s LEU 59 N -0.04 2.28 -0.08 8.50 1.43 0.16 -4.89 118.68 126.04 2k22 s LEU 59 Ca -0.06 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 52.38 2k22 s LEU 59 Cb -0.14 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 2k22 s LEU 59 CO 0.04 0.17 -0.16 0.54 0.23 0.00 0.00 176.35 177.17 2k22 s VAL 60 N -1.02 2.86 -1.68 -1.59 0.11 -1.21 -0.77 120.40 117.11 2k22 s VAL 60 Ca 0.12 -0.77 -0.21 0.00 -2.93 0.00 0.00 61.98 58.19 2k22 s VAL 60 Cb -0.10 -2.14 0.20 0.00 -1.53 0.00 0.00 36.38 32.81 2k22 s VAL 60 CO 0.05 0.56 0.58 -0.46 -3.33 0.00 0.00 175.10 172.50 2k22 n ASN 61 N 2.87 -2.08 -3.48 3.54 6.94 0.10 -0.16 115.26 123.00 2k22 n ASN 61 Ca -0.18 -1.03 -0.19 0.00 -0.02 0.00 0.00 54.58 53.17 2k22 n ASN 61 Cb 0.52 -1.79 0.07 0.00 -2.36 0.00 0.00 39.78 36.22 2k22 n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k22 n GLY 62 N -1.07 -0.58 3.17 4.83 0.00 -1.26 -4.93 105.19 105.34 2k22 n GLY 62 Ca 0.10 0.25 0.04 0.00 0.00 0.00 0.00 46.02 46.41 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 -4.06 -0.00 0.42 1.61 0.01 0.78 -5.15 114.94 108.54 2k22 s ASN 63 Ca 0.15 0.00 -0.26 0.00 -0.71 0.00 0.00 52.86 52.04 2k22 s ASN 63 Cb -0.03 1.00 -0.10 0.00 0.41 0.00 0.00 41.25 42.54 2k22 s ASN 63 CO 0.77 -0.00 1.40 -0.46 -1.51 0.00 0.00 177.10 177.30 2k22 n ASN 64 N 4.45 3.24 0.08 -1.22 6.94 -1.26 -3.32 115.26 124.17 2k22 n ASN 64 Ca -0.06 1.15 -0.10 0.00 -0.02 0.00 0.00 54.58 55.55 2k22 n ASN 64 Cb 0.56 -1.58 -0.01 0.00 -2.36 0.00 0.00 39.78 36.39 2k22 n ASN 64 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 2k22 h ILE 65 N 2.45 1.45 -0.20 1.53 3.07 -1.87 -3.15 117.51 120.78 2k22 h ILE 65 Ca -0.50 -2.50 0.06 0.00 1.55 0.00 0.00 64.86 63.47 2k22 h ILE 65 Cb 1.27 2.41 -0.01 0.00 -0.27 0.00 0.00 36.82 40.22 2k22 h ILE 65 CO 0.62 0.74 0.20 0.71 -1.05 0.00 0.00 178.15 179.36 2k22 h THR 66 N 0.16 0.57 -0.71 0.16 1.35 -1.85 -1.51 112.91 111.09 2k22 h THR 66 Ca -0.05 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.95 2k22 h THR 66 Cb 1.50 0.85 -0.10 0.00 -1.73 0.00 0.00 68.15 68.68 2k22 h THR 66 CO 0.14 0.00 0.22 -1.28 -0.25 0.00 0.00 175.52 174.35 2k22 h SER 67 N 0.00 0.13 0.00 5.36 0.87 -1.94 -3.41 113.55 114.57 2k22 h SER 67 Ca 0.10 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2k22 h SER 67 Cb 0.49 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2k22 h SER 67 CO -0.00 0.04 0.00 1.15 -0.53 0.00 0.00 176.83 177.49 2k22 n MET 68 N -5.08 0.00 -5.18 2.24 -0.00 -0.77 -5.08 117.12 103.24 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 0.40 -0.00 -0.17 0.00 -0.00 0.00 0.00 33.22 33.46 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 -0.30 2.68 0.00 3.17 -0.14 -0.64 -5.07 119.74 119.44 2k22 s LYS 69 Ca 0.00 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 53.76 2k22 s LYS 69 Cb 0.00 -2.14 0.00 0.00 -1.68 0.00 0.00 37.83 34.01 2k22 s LYS 69 CO 0.00 0.26 0.00 0.41 -0.76 0.00 0.00 175.35 175.26 2k22 n GLY 70 N 3.27 -2.08 0.15 -3.33 0.00 -1.23 -3.28 105.19 98.69 2k22 n GLY 70 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 3.38 -1.92 -2.91 115.31 114.86 2k22 h LEU 71 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k22 h LEU 71 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2k22 h LEU 71 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 2k22 n ASP 72 N -2.49 0.00 -4.69 -0.43 8.00 -1.26 0.08 116.55 115.76 2k22 n ASP 72 Ca 0.04 -0.25 -0.42 0.00 0.71 0.00 0.00 54.79 54.87 2k22 n ASP 72 Cb 0.38 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 2k22 n ASP 72 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2k22 s THR 73 N -2.43 2.52 0.50 -3.53 2.01 -1.10 -4.83 115.64 108.78 2k22 s THR 73 Ca 0.27 0.07 -0.16 0.00 0.31 0.00 0.00 61.69 62.18 2k22 s THR 73 Cb 0.17 -3.05 -0.08 0.00 0.01 0.00 0.00 72.50 69.55 2k22 s THR 73 CO 0.35 0.00 0.96 -1.83 -0.69 0.00 0.00 174.62 173.42 2k22 s GLU 74 N 2.59 3.95 -0.16 4.92 -1.05 -1.26 -1.95 118.70 125.74 2k22 s GLU 74 Ca 0.80 0.92 -0.04 0.00 -0.15 0.00 0.00 54.97 56.49 2k22 s GLU 74 Cb -0.46 -2.17 0.08 0.00 -0.44 0.00 0.00 34.13 31.14 2k22 s GLU 74 CO 0.36 -0.23 0.26 0.96 0.95 0.00 0.00 175.26 177.56 2k22 s ILE 75 N -2.57 -0.41 0.97 1.83 -4.36 0.02 -4.91 121.20 111.77 2k22 s ILE 75 Ca 0.58 0.15 -0.15 0.00 -0.26 0.00 0.00 60.65 60.98 2k22 s ILE 75 Cb -0.10 -0.53 0.18 0.00 1.25 0.00 0.00 42.46 43.26 2k22 s ILE 75 CO 0.30 0.02 1.20 -0.54 0.24 0.00 0.00 174.94 176.16 2k22 s LYS 76 N 2.41 0.65 0.44 0.37 1.02 -1.26 -4.38 119.74 118.99 2k22 s LYS 76 Ca 0.04 -0.03 0.17 0.00 0.02 0.00 0.00 55.97 56.17 2k22 s LYS 76 Cb -0.13 -1.81 1.03 0.00 -0.52 0.00 0.00 37.83 36.40 2k22 s LYS 76 CO -0.10 -2.47 1.96 0.38 -0.92 0.00 0.00 175.35 174.20 2k22 h ASP 77 N -1.69 0.00 1.31 2.83 2.03 -1.98 -2.12 116.42 116.80 2k22 h ASP 77 Ca -0.47 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.72 2k22 h ASP 77 Cb 1.29 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.78 2k22 h ASP 77 CO 0.50 0.22 -0.55 0.44 -1.03 0.00 0.00 179.24 178.82 2k22 h ASP 78 N 0.00 0.00 -4.04 4.15 3.32 -1.93 -3.39 116.42 114.53 2k22 h ASP 78 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.51 2k22 h ASP 78 Cb 0.42 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.09 2k22 h ASP 78 CO 0.03 0.55 0.55 -1.81 -1.72 0.00 0.00 179.24 176.83 2k22 s ASP 79 N -6.49 5.50 -0.01 6.45 1.11 -0.80 -5.04 116.67 117.40 2k22 s ASP 79 Ca 0.03 2.57 0.01 0.00 0.18 0.00 0.00 52.55 55.34 2k22 s ASP 79 Cb 0.08 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.46 2k22 s ASP 79 CO 0.74 -1.39 -0.04 -1.59 1.18 0.00 0.00 175.17 174.07 2k22 s LYS 80 N -2.92 0.37 -0.11 8.23 -2.85 -1.26 -4.34 119.74 116.86 2k22 s LYS 80 Ca 0.70 -0.12 -0.05 0.00 -1.00 0.00 0.00 55.97 55.51 2k22 s LYS 80 Cb -0.35 -0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 35.00 2k22 s LYS 80 CO 0.41 0.05 0.07 0.42 0.10 0.00 0.00 175.35 176.40 2k22 s ILE 81 N 0.11 4.87 -0.04 3.79 1.09 0.85 0.01 121.20 131.87 2k22 s ILE 81 Ca -0.01 -0.03 0.02 0.00 -1.10 0.00 0.00 60.65 59.53 2k22 s ILE 81 Cb -0.04 -3.09 0.01 0.00 -1.06 0.00 0.00 42.46 38.28 2k22 s ILE 81 CO -0.00 0.60 -0.08 -1.81 -0.10 0.00 0.00 174.94 173.54 2k22 s ASP 82 N -0.83 1.20 -0.03 3.58 1.01 0.05 -1.61 116.67 120.04 2k22 s ASP 82 Ca 0.13 -0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.22 2k22 s ASP 82 Cb -0.12 -0.45 -0.03 0.00 1.01 0.00 0.00 42.92 43.33 2k22 s ASP 82 CO 0.03 0.02 -0.04 -0.22 0.21 0.00 0.00 175.17 175.17 2k22 s LEU 83 N 0.51 3.34 0.03 1.23 0.20 -0.92 -0.66 118.68 122.41 2k22 s LEU 83 Ca -0.08 -0.03 0.05 0.00 0.69 0.00 0.00 54.13 54.76 2k22 s LEU 83 Cb -0.12 -1.85 -0.02 0.00 -0.43 0.00 0.00 46.19 43.78 2k22 s LEU 83 CO 0.01 0.32 -0.15 -0.36 -0.29 0.00 0.00 176.35 175.87 2k22 s PHE 84 N -0.96 1.35 0.89 5.38 0.40 0.13 -4.50 117.98 120.67 2k22 s PHE 84 Ca 0.16 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 56.04 2k22 s PHE 84 Cb -0.11 -0.81 0.13 0.00 0.51 0.00 0.00 43.02 42.73 2k22 s PHE 84 CO 0.06 0.04 1.09 -1.25 0.70 0.00 0.00 175.22 175.86 2k22 s PRO 85 N -1.02 1.28 0.59 0.24 0.04 -1.26 -1.12 135.00 133.74 2k22 s PRO 85 Ca 0.03 0.82 -0.18 0.00 0.04 0.00 0.00 61.00 61.72 2k22 s PRO 85 Cb -0.08 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2k22 s PRO 85 CO 0.01 -2.23 1.12 -1.25 0.04 0.00 0.00 177.00 174.70 2k22 s PRO 86 N -4.94 3.14 0.58 0.56 0.04 -1.25 -4.46 135.00 128.67 2k22 s PRO 86 Ca 0.63 1.53 0.28 0.00 0.04 0.00 0.00 61.00 63.48 2k22 s PRO 86 Cb -0.18 -1.98 1.56 0.00 0.04 0.00 0.00 34.50 33.94 2k22 s PRO 86 CO 0.57 -1.01 2.03 -0.39 0.04 0.00 0.00 177.00 178.24 2k22 h VAL 87 N 0.74 0.48 0.05 -0.36 -1.51 -1.94 -0.11 116.25 113.60 2k22 h VAL 87 Ca -0.49 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 64.69 2k22 h VAL 87 Cb 1.26 0.76 -0.03 0.00 -2.13 0.00 0.00 31.29 31.15 2k22 h VAL 87 CO 0.56 0.00 -1.61 0.00 -1.23 0.00 0.00 177.57 175.29 2k22 h ALA 88 N 1.68 0.55 -0.53 5.19 0.00 -1.93 -3.50 119.26 120.71 2k22 h ALA 88 Ca 0.14 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2k22 h ALA 88 Cb 0.74 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2k22 h ALA 88 CO -0.00 1.40 0.00 0.41 0.00 0.00 0.00 179.25 181.06 2k22 n GLY 89 N 1.62 -0.45 0.00 0.00 0.00 -0.05 -5.21 105.19 101.09 2k22 n GLY 89 Ca -0.17 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93