#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 2.07 -0.13 1.12 -7.23 0.14 -4.05 120.40 112.31 2k22 s VAL 2 Ca 0.00 -1.04 -0.03 0.00 -1.81 0.00 0.00 61.98 59.10 2k22 s VAL 2 Cb 0.00 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 2k22 s VAL 2 CO 0.00 0.56 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.45 2k22 s THR 3 N 0.14 4.16 0.52 5.32 2.01 -1.26 -2.68 115.64 123.86 2k22 s THR 3 Ca -0.13 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.61 2k22 s THR 3 Cb -0.16 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.55 2k22 s THR 3 CO 0.07 0.54 0.08 -0.69 -0.69 0.00 0.00 174.62 173.93 2k22 s VAL 4 N -0.19 1.22 -0.16 3.82 1.01 -1.25 -0.70 120.40 124.15 2k22 s VAL 4 Ca 0.05 -1.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.00 2k22 s VAL 4 Cb -0.13 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.18 2k22 s VAL 4 CO 0.02 0.00 0.40 -0.60 0.00 0.00 0.00 175.10 174.92 2k22 s ARG 5 N -3.97 0.44 0.11 2.72 3.52 -0.97 -4.81 118.95 116.00 2k22 s ARG 5 Ca 0.10 0.63 0.04 0.00 -0.13 0.00 0.00 55.73 56.37 2k22 s ARG 5 Cb 0.01 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.51 2k22 s ARG 5 CO 0.06 -0.09 -0.11 0.71 -0.81 0.00 0.00 175.30 175.06 2k22 s TYR 6 N 0.58 1.16 0.47 5.12 2.02 -1.26 -1.87 117.35 123.57 2k22 s TYR 6 Ca -0.03 -0.66 0.02 0.00 -0.37 0.00 0.00 57.07 56.03 2k22 s TYR 6 Cb -0.05 -0.62 0.02 0.00 -0.40 0.00 0.00 41.96 40.91 2k22 s TYR 6 CO -0.04 0.04 0.15 0.66 -1.57 0.00 0.00 175.55 174.80 2k22 n TYR 7 N 0.40 0.33 -0.04 2.71 4.02 -1.26 -4.95 117.16 118.37 2k22 n TYR 7 Ca -0.15 -2.17 0.24 0.00 -0.01 0.00 0.00 57.90 55.81 2k22 n TYR 7 Cb 0.58 -0.34 0.72 0.00 -0.02 0.00 0.00 39.34 40.28 2k22 n TYR 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k22 h ALA 8 N 1.00 2.50 -0.31 -0.72 0.00 -1.99 0.21 119.26 119.95 2k22 h ALA 8 Ca -0.35 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 2k22 h ALA 8 Cb 1.14 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2k22 h ALA 8 CO 0.57 -0.84 -0.43 1.79 0.00 0.00 0.00 179.25 180.34 2k22 h THR 9 N 0.00 1.29 -0.01 0.00 1.35 -1.99 -2.94 112.91 110.60 2k22 h THR 9 Ca 0.30 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 2k22 h THR 9 Cb 1.33 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2k22 h THR 9 CO -0.00 0.52 -0.19 0.18 -0.25 0.00 0.00 175.52 175.78 2k22 n LEU 10 N -4.03 1.32 0.44 3.87 7.99 0.47 -4.30 117.00 122.74 2k22 n LEU 10 Ca -0.02 -0.40 -0.19 0.00 -0.01 0.00 0.00 56.01 55.38 2k22 n LEU 10 Cb 0.55 -0.07 -0.10 0.00 -0.11 0.00 0.00 43.42 43.70 2k22 n LEU 10 CO 0.48 0.24 0.57 -0.09 -1.51 0.00 0.00 177.39 177.07 2k22 h ARG 11 N 1.78 -1.12 0.00 3.23 1.12 -0.62 0.25 114.38 119.01 2k22 h ARG 11 Ca 0.00 0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.95 2k22 h ARG 11 Cb 0.54 0.25 0.00 0.00 -0.01 0.00 0.00 29.97 30.76 2k22 h ARG 11 CO 0.00 -0.75 0.00 -0.35 -3.11 0.00 0.00 179.97 175.76 2k22 n PRO 12 N -5.60 0.29 -0.11 0.20 -0.04 -1.26 -2.63 135.00 125.85 2k22 n PRO 12 Ca -0.15 0.10 -0.17 0.00 -0.04 0.00 0.00 63.50 63.24 2k22 n PRO 12 Cb 0.48 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.20 1.50 0.26 0.52 5.41 -0.86 -4.36 119.36 120.63 2k22 n ILE 13 Ca 0.08 -0.06 0.16 0.00 1.00 0.00 0.00 62.75 63.93 2k22 n ILE 13 Cb 0.10 -2.15 0.80 0.00 -0.71 0.00 0.00 39.64 37.68 2k22 n ILE 13 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2k22 h THR 14 N -1.00 0.00 -1.27 1.39 1.35 -0.53 -3.45 112.91 109.39 2k22 h THR 14 Ca -0.30 -0.07 -0.42 0.00 -0.55 0.00 0.00 66.41 65.08 2k22 h THR 14 Cb 1.20 0.80 -0.14 0.00 -1.73 0.00 0.00 68.15 68.27 2k22 h THR 14 CO -0.18 0.00 -0.40 1.17 -0.25 0.00 0.00 175.52 175.86 2k22 n LYS 15 N -2.61 -1.46 -3.07 4.72 4.81 -1.08 -4.83 118.16 114.65 2k22 n LYS 15 Ca -0.01 1.19 0.00 0.00 -0.87 0.00 0.00 58.31 58.62 2k22 n LYS 15 Cb 0.09 -5.60 0.00 0.00 0.02 0.00 0.00 35.03 29.54 2k22 n LYS 15 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2k22 n LYS 16 N -2.49 -0.94 -0.32 1.64 4.81 -1.26 -5.10 118.16 114.50 2k22 n LYS 16 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 2k22 n LYS 16 Cb 0.68 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.73 2k22 n LYS 16 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2k22 n LYS 17 N 0.00 0.96 -4.12 1.64 2.85 -1.26 -4.86 118.16 113.36 2k22 n LYS 17 Ca 0.00 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.99 2k22 n LYS 17 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 2k22 n LYS 17 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2k22 s GLU 18 N -1.23 2.71 0.19 -1.58 -6.30 -1.26 -5.06 118.70 106.17 2k22 s GLU 18 Ca 0.00 -0.92 -0.17 0.00 -2.50 0.00 0.00 54.97 51.38 2k22 s GLU 18 Cb 0.00 -2.56 0.03 0.00 0.00 0.00 0.00 34.13 31.60 2k22 s GLU 18 CO 0.00 0.49 0.49 -2.00 0.02 0.00 0.00 175.26 174.27 2k22 s GLU 19 N -2.89 1.33 -0.16 4.30 2.12 -1.26 -5.08 118.70 117.07 2k22 s GLU 19 Ca 0.29 -0.87 -0.09 0.00 0.36 0.00 0.00 54.97 54.66 2k22 s GLU 19 Cb -0.10 0.51 -0.05 0.00 0.26 0.00 0.00 34.13 34.75 2k22 s GLU 19 CO 0.21 -0.56 0.15 0.95 -0.54 0.00 0.00 175.26 175.48 2k22 s THR 20 N -3.87 5.43 0.01 -1.70 -4.23 -1.26 -4.38 115.64 105.65 2k22 s THR 20 Ca 0.09 0.24 0.03 0.00 -1.18 0.00 0.00 61.69 60.87 2k22 s THR 20 Cb -0.00 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.36 2k22 s THR 20 CO -0.04 0.51 -0.08 0.72 -0.54 0.00 0.00 174.62 175.19 2k22 s PHE 21 N -0.21 0.71 0.29 3.99 -0.71 -1.09 -4.91 117.98 116.04 2k22 s PHE 21 Ca 0.12 -0.25 0.06 0.00 -1.04 0.00 0.00 56.93 55.82 2k22 s PHE 21 Cb -0.12 -0.44 -0.02 0.00 -1.21 0.00 0.00 43.02 41.23 2k22 s PHE 21 CO 0.01 -0.02 0.40 0.54 -1.34 0.00 0.00 175.22 174.81 2k22 s ASN 22 N -0.67 6.07 0.00 1.98 2.20 -1.26 -0.69 114.94 122.57 2k22 s ASN 22 Ca -0.01 -0.09 0.00 0.00 -0.94 0.00 0.00 52.86 51.82 2k22 s ASN 22 Cb -0.05 -1.50 0.00 0.00 -2.00 0.00 0.00 41.25 37.69 2k22 s ASN 22 CO 0.00 -0.25 0.00 0.61 -2.94 0.00 0.00 177.10 174.52 2k22 n GLY 23 N -1.50 3.29 3.75 0.45 0.00 -1.26 -4.90 105.19 105.01 2k22 n GLY 23 Ca -0.05 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 2k22 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k22 s ILE 24 N 0.00 5.08 -0.29 -0.61 -1.09 -1.26 -5.00 121.20 118.02 2k22 s ILE 24 Ca 0.00 0.06 0.15 0.00 -2.23 0.00 0.00 60.65 58.63 2k22 s ILE 24 Cb 0.00 -3.25 0.48 0.00 -1.58 0.00 0.00 42.46 38.11 2k22 s ILE 24 CO 0.00 0.54 1.12 -1.20 -1.23 0.00 0.00 174.94 174.17 2k22 n SER 25 N 2.76 3.08 -3.68 3.58 7.64 -1.26 -4.59 113.62 121.15 2k22 n SER 25 Ca -0.18 -2.88 -0.13 0.00 1.01 0.00 0.00 58.87 56.69 2k22 n SER 25 Cb 0.53 -0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 63.23 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 -3.64 0.86 0.34 1.43 1.02 -1.26 -1.22 119.74 117.27 2k22 s LYS 26 Ca 0.38 -0.28 0.14 0.00 0.02 0.00 0.00 55.97 56.24 2k22 s LYS 26 Cb 0.37 0.39 0.60 0.00 -0.52 0.00 0.00 37.83 38.67 2k22 s LYS 26 CO -0.02 -0.28 1.73 0.82 -0.92 0.00 0.00 175.35 176.68 2k22 h ILE 27 N 3.24 1.18 0.37 2.17 1.08 -1.66 -0.67 117.51 123.22 2k22 h ILE 27 Ca -0.30 -1.65 -0.02 0.00 -0.39 0.00 0.00 64.86 62.50 2k22 h ILE 27 Cb 1.19 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.87 2k22 h ILE 27 CO 0.42 0.45 -0.18 -1.28 -0.69 0.00 0.00 178.15 176.87 2k22 h SER 28 N 0.00 -0.42 0.69 1.72 0.87 -1.76 0.21 113.55 114.85 2k22 h SER 28 Ca -0.00 -0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.33 2k22 h SER 28 Cb 0.89 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 2k22 h SER 28 CO 0.06 -0.20 -0.75 -0.33 -0.53 0.00 0.00 176.83 175.09 2k22 h GLU 29 N -0.63 0.04 0.03 2.24 4.39 -1.89 -1.17 114.58 117.60 2k22 h GLU 29 Ca -0.05 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2k22 h GLU 29 Cb 0.46 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2k22 h GLU 29 CO 0.08 0.77 -0.02 1.25 -1.16 0.00 0.00 179.01 179.93 2k22 h LEU 30 N 0.03 -0.04 -0.49 1.33 5.85 -1.04 -0.53 115.31 120.41 2k22 h LEU 30 Ca -0.01 -0.37 -0.16 0.00 0.84 0.00 0.00 57.88 58.18 2k22 h LEU 30 Cb 1.32 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2k22 h LEU 30 CO 0.10 0.35 -0.55 -0.07 -0.34 0.00 0.00 178.44 177.93 2k22 h LEU 31 N -0.44 0.65 -0.48 2.25 3.38 -0.65 0.91 115.31 120.93 2k22 h LEU 31 Ca -0.00 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 2k22 h LEU 31 Cb 0.40 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2k22 h LEU 31 CO 0.01 1.07 0.09 -0.08 0.09 0.00 0.00 178.44 179.62 2k22 h GLU 32 N 0.45 0.79 0.00 1.13 4.81 -1.22 0.27 114.58 120.80 2k22 h GLU 32 Ca 0.01 -0.20 -0.19 0.00 -0.13 0.00 0.00 59.36 58.84 2k22 h GLU 32 Cb 1.10 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 2k22 h GLU 32 CO 0.11 0.79 -0.92 -0.09 -0.73 0.00 0.00 179.01 178.16 2k22 h ARG 33 N 0.67 0.00 0.03 1.92 9.65 -1.07 -3.08 114.38 122.50 2k22 h ARG 33 Ca 0.15 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.03 2k22 h ARG 33 Cb 0.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 2k22 h ARG 33 CO 0.01 0.92 -0.01 1.25 2.80 0.00 0.00 179.97 184.93 2k22 h LEU 34 N 0.00 -0.03 -1.05 3.80 5.85 -0.66 -0.79 115.31 122.43 2k22 h LEU 34 Ca -0.01 -0.63 0.11 0.00 0.84 0.00 0.00 57.88 58.19 2k22 h LEU 34 Cb 1.64 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.60 2k22 h LEU 34 CO 0.12 0.65 0.63 0.07 -0.34 0.00 0.00 178.44 179.56 2k22 h LYS 35 N -0.75 0.95 0.01 1.25 2.10 -0.59 -1.31 116.57 118.24 2k22 h LYS 35 Ca -0.00 -0.06 -0.22 0.00 -2.00 0.00 0.00 60.65 58.36 2k22 h LYS 35 Cb 0.67 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2k22 h LYS 35 CO 0.01 0.63 -0.96 -0.24 -2.00 0.00 0.00 179.45 176.89 2k22 h VAL 36 N 0.98 1.43 -0.42 0.07 3.04 -1.59 0.34 116.25 120.09 2k22 h VAL 36 Ca 0.48 -2.54 0.09 0.00 -1.01 0.00 0.00 66.70 63.71 2k22 h VAL 36 Cb 0.47 2.48 -0.08 0.00 -2.01 0.00 0.00 31.29 32.15 2k22 h VAL 36 CO -0.24 0.75 -0.12 -0.33 -1.01 0.00 0.00 177.57 176.62 2k22 h GLU 37 N 0.19 -0.02 0.08 4.17 5.08 0.04 -3.08 114.58 121.04 2k22 h GLU 37 Ca -0.08 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.92 2k22 h GLU 37 Cb 1.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.82 2k22 h GLU 37 CO 0.16 -0.01 -2.08 0.66 -1.00 0.00 0.00 179.01 176.74 2k22 n TYR 38 N -5.33 0.92 0.00 4.33 4.01 -1.04 -5.10 117.16 114.95 2k22 n TYR 38 Ca 0.03 0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 2k22 n TYR 38 Cb 0.24 -1.13 0.00 0.00 -0.31 0.00 0.00 39.34 38.14 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 1.98 0.92 0.27 2.72 0.00 0.12 -4.81 105.19 106.39 2k22 n GLY 39 Ca -0.33 -2.19 0.05 0.00 0.00 0.00 0.00 46.02 43.55 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 0.20 -0.99 1.61 0.02 -1.91 -2.26 113.55 110.23 2k22 h SER 40 Ca 0.00 -0.02 0.21 0.00 -0.84 0.00 0.00 61.79 61.14 2k22 h SER 40 Cb 0.00 -0.05 -0.10 0.00 0.14 0.00 0.00 62.40 62.39 2k22 h SER 40 CO 0.00 0.22 0.62 -0.33 -1.14 0.00 0.00 176.83 176.20 2k22 h GLU 41 N 0.23 0.61 -0.01 3.45 3.07 -1.88 0.69 114.58 120.73 2k22 h GLU 41 Ca 0.06 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.78 2k22 h GLU 41 Cb 0.11 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 27.89 2k22 h GLU 41 CO -0.00 0.40 -0.40 0.35 -1.40 0.00 0.00 179.01 177.96 2k22 h PHE 42 N 0.63 0.43 -0.83 4.33 3.57 -1.70 -2.31 116.94 121.04 2k22 h PHE 42 Ca 0.56 -0.22 0.08 0.00 3.53 0.00 0.00 57.97 61.92 2k22 h PHE 42 Cb 1.06 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.68 2k22 h PHE 42 CO -0.00 1.02 0.49 1.15 -2.23 0.00 0.00 178.31 178.74 2k22 h THR 43 N -0.29 0.96 0.00 4.41 2.02 -1.17 0.22 112.91 119.05 2k22 h THR 43 Ca -0.05 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.74 2k22 h THR 43 Cb 1.12 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2k22 h THR 43 CO 0.08 0.16 -0.47 0.11 0.37 0.00 0.00 175.52 175.77 2k22 h LYS 44 N 0.85 0.00 0.00 6.66 1.57 -0.98 0.29 116.57 124.97 2k22 h LYS 44 Ca 0.39 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.10 2k22 h LYS 44 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2k22 h LYS 44 CO -0.22 0.47 -0.33 0.37 -0.57 0.00 0.00 179.45 179.17 2k22 h GLN 45 N 0.00 0.00 -0.13 3.15 5.75 -0.52 -3.25 115.11 120.10 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 1.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.63 2k22 h GLN 45 CO 0.06 0.33 0.00 0.00 -2.65 0.00 0.00 178.83 176.57 2k22 n MET 46 N -3.18 1.54 -3.15 1.69 0.00 0.61 -4.66 117.12 109.96 2k22 n MET 46 Ca 0.03 -1.45 0.06 0.00 0.00 0.00 0.00 57.70 56.34 2k22 n MET 46 Cb 0.67 -1.17 -0.01 0.00 0.00 0.00 0.00 33.22 32.70 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 -0.84 -0.14 -0.81 3.17 5.04 0.10 -4.70 117.35 119.17 2k22 s TYR 47 Ca 0.13 0.12 -0.12 0.00 -2.44 0.00 0.00 57.07 54.76 2k22 s TYR 47 Cb 0.08 0.04 0.21 0.00 0.35 0.00 0.00 41.96 42.64 2k22 s TYR 47 CO 0.11 -0.08 0.73 0.34 -1.34 0.00 0.00 175.55 175.31 2k22 s ASP 48 N 2.99 6.54 0.00 4.32 2.15 0.89 -3.62 116.67 129.93 2k22 s ASP 48 Ca 0.08 -2.77 0.00 0.00 0.43 0.00 0.00 52.55 50.29 2k22 s ASP 48 Cb -0.05 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 2k22 s ASP 48 CO -0.13 -0.53 0.00 0.61 -0.17 0.00 0.00 175.17 174.95 2k22 n GLY 49 N 3.83 1.77 0.00 2.66 0.00 -1.26 -3.32 105.19 108.87 2k22 n GLY 49 Ca 0.13 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 5.14 1.13 -3.94 1.61 3.02 -1.26 -5.06 115.26 115.90 2k22 n ASN 50 Ca 0.00 -0.42 -0.09 0.00 -0.03 0.00 0.00 54.58 54.04 2k22 n ASN 50 Cb 0.00 1.02 -0.07 0.00 -0.61 0.00 0.00 39.78 40.12 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 -1.41 0.10 0.89 6.41 0.01 -1.21 -5.13 114.94 114.60 2k22 s ASN 51 Ca 0.00 -0.81 -0.15 0.00 -0.71 0.00 0.00 52.86 51.20 2k22 s ASN 51 Cb 0.01 0.39 -0.02 0.00 0.41 0.00 0.00 41.25 42.04 2k22 s ASN 51 CO 0.07 -0.82 0.18 0.18 -1.51 0.00 0.00 177.10 175.21 2k22 n LEU 52 N -0.14 -1.23 0.01 0.60 7.99 -1.26 -0.08 117.00 122.89 2k22 n LEU 52 Ca -0.10 0.37 -0.01 0.00 -0.01 0.00 0.00 56.01 56.26 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 0.24 -4.02 0.06 0.15 -1.51 0.00 0.00 177.39 172.30 2k22 h PHE 53 N -1.12 -0.07 0.00 -1.77 3.04 -1.83 -3.40 116.94 111.79 2k22 h PHE 53 Ca -0.44 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.44 2k22 h PHE 53 Cb 1.31 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.83 2k22 h PHE 53 CO 0.34 -0.04 -0.58 -0.22 -2.02 0.00 0.00 178.31 175.79 2k22 h LYS 54 N -0.49 0.00 0.00 1.11 1.63 -1.92 -3.49 116.57 113.41 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 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2k22 h LYS 54 CO 0.01 0.39 0.00 0.09 -3.45 0.00 0.00 179.45 176.49 2k22 n ASN 55 N -4.59 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 54.91 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 2.68 -0.27 2.41 1.01 -1.26 -3.63 120.40 121.34 2k22 s VAL 56 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.69 2k22 s VAL 56 Cb 0.00 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 33.01 2k22 s VAL 56 CO 0.00 0.16 -0.07 -0.63 0.00 0.00 0.00 175.10 174.57 2k22 s ILE 57 N -1.15 2.03 -0.04 2.22 1.01 0.84 -4.88 121.20 121.23 2k22 s ILE 57 Ca 0.49 -1.67 0.05 0.00 0.00 0.00 0.00 60.65 59.52 2k22 s ILE 57 Cb -0.40 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 2k22 s ILE 57 CO 0.53 -0.16 -0.21 -0.51 0.00 0.00 0.00 174.94 174.60 2k22 s ILE 58 N 1.13 1.71 0.26 2.92 2.07 -1.26 -0.44 121.20 127.59 2k22 s ILE 58 Ca -0.05 -0.88 0.09 0.00 -1.41 0.00 0.00 60.65 58.40 2k22 s ILE 58 Cb -0.20 -1.45 -0.05 0.00 0.13 0.00 0.00 42.46 40.89 2k22 s ILE 58 CO -0.06 0.48 -0.12 -0.76 -1.91 0.00 0.00 174.94 172.57 2k22 s LEU 59 N -0.13 2.56 -0.03 8.50 1.43 -1.06 -4.91 118.68 125.05 2k22 s LEU 59 Ca -0.02 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 2k22 s LEU 59 Cb -0.12 -0.80 0.03 0.00 0.03 0.00 0.00 46.19 45.33 2k22 s LEU 59 CO 0.02 -0.18 0.01 0.54 0.23 0.00 0.00 176.35 176.97 2k22 s VAL 60 N -2.84 0.10 -1.27 -1.59 0.11 -1.25 -2.06 120.40 111.61 2k22 s VAL 60 Ca 0.28 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 2k22 s VAL 60 Cb 0.00 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 2k22 s VAL 60 CO 0.11 0.12 0.00 -3.20 -3.33 0.00 0.00 175.10 168.81 2k22 n ASN 61 N 4.13 -4.22 -2.82 3.54 5.15 -0.71 -1.09 115.26 119.24 2k22 n ASN 61 Ca -0.27 0.19 -0.16 0.00 -0.60 0.00 0.00 54.58 53.74 2k22 n ASN 61 Cb 0.50 -3.62 0.06 0.00 -0.53 0.00 0.00 39.78 36.19 2k22 n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k22 n GLY 62 N -0.73 -0.17 3.22 8.20 0.00 -1.26 -4.94 105.19 109.50 2k22 n GLY 62 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.49 -0.03 0.37 1.61 0.01 -0.25 -5.15 114.94 108.01 2k22 s ASN 63 Ca 0.30 0.04 -0.26 0.00 -0.71 0.00 0.00 52.86 52.23 2k22 s ASN 63 Cb -0.13 1.03 -0.12 0.00 0.41 0.00 0.00 41.25 42.44 2k22 s ASN 63 CO 0.55 -0.01 0.95 -0.46 -1.51 0.00 0.00 177.10 176.62 2k22 n ASN 64 N 4.36 0.98 0.23 -1.22 6.94 -1.26 -3.78 115.26 121.51 2k22 n ASN 64 Ca -0.07 1.08 0.07 0.00 -0.02 0.00 0.00 54.58 55.63 2k22 n ASN 64 Cb 0.56 -1.29 0.53 0.00 -2.36 0.00 0.00 39.78 37.21 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 1.62 1.02 -0.11 1.53 3.07 -1.87 -2.23 117.51 120.54 2k22 h ILE 65 Ca -0.42 -0.72 0.03 0.00 1.55 0.00 0.00 64.86 65.30 2k22 h ILE 65 Cb 1.35 1.40 -0.00 0.00 -0.27 0.00 0.00 36.82 39.29 2k22 h ILE 65 CO 0.58 0.20 0.10 0.71 -1.05 0.00 0.00 178.15 178.69 2k22 h THR 66 N 0.00 0.60 -0.71 0.16 1.35 -1.85 -1.83 112.91 110.63 2k22 h THR 66 Ca -0.00 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.01 2k22 h THR 66 Cb 0.38 0.92 -0.11 0.00 -1.73 0.00 0.00 68.15 67.61 2k22 h THR 66 CO 0.03 0.00 0.11 -1.28 -0.25 0.00 0.00 175.52 174.12 2k22 h SER 67 N 0.00 -0.11 0.00 5.36 0.87 -1.75 -3.40 113.55 114.51 2k22 h SER 67 Ca 0.05 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2k22 h SER 67 Cb 0.26 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2k22 h SER 67 CO -0.00 -0.08 0.00 1.15 -0.53 0.00 0.00 176.83 177.37 2k22 n MET 68 N -5.21 0.00 -5.09 2.24 -0.00 -0.90 -5.08 117.12 103.07 2k22 n MET 68 Ca 0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 57.70 57.53 2k22 n MET 68 Cb 0.43 -0.00 -0.17 0.00 -0.00 0.00 0.00 33.22 33.49 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 -0.36 2.58 0.00 3.17 -0.14 -0.74 -5.07 119.74 119.18 2k22 s LYS 69 Ca 0.00 -0.78 0.00 0.00 -1.36 0.00 0.00 55.97 53.83 2k22 s LYS 69 Cb 0.00 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 34.11 2k22 s LYS 69 CO 0.00 0.21 0.00 0.41 -0.76 0.00 0.00 175.35 175.21 2k22 n GLY 70 N 3.40 -2.07 0.11 -3.33 0.00 -1.22 -3.13 105.19 98.93 2k22 n GLY 70 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 2k22 n GLY 70 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k22 n LEU 71 N 0.00 0.69 -0.10 0.99 7.94 -1.26 -2.64 117.00 122.61 2k22 n LEU 71 Ca 0.00 0.60 0.10 0.00 -1.11 0.00 0.00 56.01 55.60 2k22 n LEU 71 Cb 0.00 -0.43 0.55 0.00 0.53 0.00 0.00 43.42 44.06 2k22 n LEU 71 CO 0.00 -0.32 0.86 0.47 -1.11 0.00 0.00 177.39 177.29 2k22 n ASP 72 N -2.19 0.32 -4.78 1.96 9.92 -1.26 -2.60 116.55 117.93 2k22 n ASP 72 Ca 0.04 -1.44 -0.41 0.00 -0.53 0.00 0.00 54.79 52.45 2k22 n ASP 72 Cb 0.34 -0.02 -0.00 0.00 -0.64 0.00 0.00 41.12 40.80 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 -1.96 2.07 -0.09 -3.53 2.01 -1.08 -4.90 115.64 108.16 2k22 s THR 73 Ca 0.30 0.07 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 2k22 s THR 73 Cb 0.14 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 2k22 s THR 73 CO 0.24 0.02 0.03 -1.83 -0.69 0.00 0.00 174.62 172.38 2k22 s GLU 74 N -2.12 3.06 -0.09 4.92 -1.05 -1.26 -2.65 118.70 119.50 2k22 s GLU 74 Ca 0.53 -0.37 0.02 0.00 -0.15 0.00 0.00 54.97 55.01 2k22 s GLU 74 Cb -0.46 -2.86 0.01 0.00 -0.44 0.00 0.00 34.13 30.38 2k22 s GLU 74 CO 0.62 0.71 -0.16 0.96 0.95 0.00 0.00 175.26 178.35 2k22 s ILE 75 N -0.92 1.47 0.50 1.83 -4.36 -0.36 -4.96 121.20 114.40 2k22 s ILE 75 Ca 0.14 -0.65 0.09 0.00 -0.26 0.00 0.00 60.65 59.96 2k22 s ILE 75 Cb -0.11 -1.33 0.05 0.00 1.25 0.00 0.00 42.46 42.32 2k22 s ILE 75 CO 0.03 0.43 0.66 -0.54 0.24 0.00 0.00 174.94 175.76 2k22 s LYS 76 N 0.76 2.53 0.54 0.37 -0.14 -1.26 -4.45 119.74 118.09 2k22 s LYS 76 Ca -0.12 -1.49 0.31 0.00 -1.36 0.00 0.00 55.97 53.32 2k22 s LYS 76 Cb -0.16 -2.66 1.48 0.00 -1.68 0.00 0.00 37.83 34.81 2k22 s LYS 76 CO 0.02 -0.57 1.89 -0.44 -0.76 0.00 0.00 175.35 175.49 2k22 h ASP 77 N 0.44 0.00 0.06 2.83 5.19 -1.99 0.06 116.42 123.01 2k22 h ASP 77 Ca -0.35 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.90 2k22 h ASP 77 Cb 1.28 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.81 2k22 h ASP 77 CO 0.44 0.00 -0.66 0.44 -3.12 0.00 0.00 179.24 176.34 2k22 h ASP 78 N 0.00 0.47 -3.22 6.45 3.32 -1.94 -3.46 116.42 118.05 2k22 h ASP 78 Ca 0.40 -0.85 -0.57 0.00 0.02 0.00 0.00 57.03 56.04 2k22 h ASP 78 Cb 1.65 -0.15 0.18 0.00 0.22 0.00 0.00 39.33 41.23 2k22 h ASP 78 CO -0.00 1.28 -0.30 0.47 -1.72 0.00 0.00 179.24 178.96 2k22 n ASP 79 N -4.20 -0.80 -3.76 6.45 9.92 0.01 -4.98 116.55 119.19 2k22 n ASP 79 Ca -0.12 0.67 -0.13 0.00 -0.53 0.00 0.00 54.79 54.68 2k22 n ASP 79 Cb 0.72 -1.24 -0.11 0.00 -0.64 0.00 0.00 41.12 39.85 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 -2.59 0.32 -0.10 -1.24 -2.85 -1.26 -4.43 119.74 107.59 2k22 s LYS 80 Ca 0.68 0.44 -0.04 0.00 -1.00 0.00 0.00 55.97 56.06 2k22 s LYS 80 Cb -0.39 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.46 2k22 s LYS 80 CO 0.55 -0.07 0.05 0.42 0.10 0.00 0.00 175.35 176.40 2k22 s ILE 81 N 0.39 4.70 0.01 3.79 1.09 0.12 -1.74 121.20 129.56 2k22 s ILE 81 Ca -0.02 -0.10 0.03 0.00 -1.10 0.00 0.00 60.65 59.47 2k22 s ILE 81 Cb -0.04 -3.01 -0.01 0.00 -1.06 0.00 0.00 42.46 38.35 2k22 s ILE 81 CO -0.02 0.61 -0.10 -1.81 -0.10 0.00 0.00 174.94 173.52 2k22 s ASP 82 N -0.90 1.21 -0.24 3.58 1.11 -0.87 -2.30 116.67 118.25 2k22 s ASP 82 Ca 0.14 -0.26 -0.02 0.00 0.18 0.00 0.00 52.55 52.59 2k22 s ASP 82 Cb -0.12 -0.11 0.02 0.00 1.07 0.00 0.00 42.92 43.79 2k22 s ASP 82 CO 0.03 0.08 -0.06 -0.22 1.18 0.00 0.00 175.17 176.17 2k22 s LEU 83 N -0.51 3.11 -0.09 1.23 1.98 -0.78 -2.56 118.68 121.06 2k22 s LEU 83 Ca 0.02 -0.79 0.01 0.00 -2.89 0.00 0.00 54.13 50.48 2k22 s LEU 83 Cb -0.05 -1.67 -0.02 0.00 0.66 0.00 0.00 46.19 45.11 2k22 s LEU 83 CO 0.00 -0.11 -0.11 -0.36 -1.89 0.00 0.00 176.35 173.89 2k22 s PHE 84 N 1.35 2.84 0.89 5.38 0.08 0.41 -4.21 117.98 124.72 2k22 s PHE 84 Ca 0.01 -0.28 -0.11 0.00 0.12 0.00 0.00 56.93 56.67 2k22 s PHE 84 Cb -0.16 -1.76 0.13 0.00 -0.57 0.00 0.00 43.02 40.66 2k22 s PHE 84 CO -0.05 0.07 1.09 -1.25 -0.10 0.00 0.00 175.22 174.99 2k22 s PRO 85 N -0.27 1.29 0.54 0.24 0.04 -1.26 -0.11 135.00 135.47 2k22 s PRO 85 Ca 0.03 0.84 -0.20 0.00 0.04 0.00 0.00 61.00 61.71 2k22 s PRO 85 Cb -0.13 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2k22 s PRO 85 CO 0.03 -2.22 1.13 -1.25 0.04 0.00 0.00 177.00 174.73 2k22 s PRO 86 N -4.93 3.40 0.56 0.56 0.04 -1.24 -4.45 135.00 128.95 2k22 s PRO 86 Ca 0.63 1.62 0.26 0.00 0.04 0.00 0.00 61.00 63.56 2k22 s PRO 86 Cb -0.18 -2.04 1.52 0.00 0.04 0.00 0.00 34.50 33.84 2k22 s PRO 86 CO 0.57 -0.82 2.05 -0.39 0.04 0.00 0.00 177.00 178.45 2k22 h VAL 87 N 1.26 0.60 -1.24 -0.36 -1.51 -1.94 -1.16 116.25 111.91 2k22 h VAL 87 Ca -0.50 0.00 -0.64 0.00 -1.23 0.00 0.00 66.70 64.33 2k22 h VAL 87 Cb 1.26 0.80 -0.35 0.00 -2.13 0.00 0.00 31.29 30.86 2k22 h VAL 87 CO 0.57 0.00 0.08 0.00 -1.23 0.00 0.00 177.57 176.99 2k22 n ALA 88 N -2.45 5.72 -0.68 5.19 0.00 -1.26 -5.05 120.51 121.97 2k22 n ALA 88 Ca 0.04 -3.88 -0.32 0.00 0.00 0.00 0.00 53.44 49.29 2k22 n ALA 88 Cb 0.43 -1.13 0.17 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.69 -1.80 0.00 0.00 0.00 -0.44 -5.08 105.19 97.18 2k22 n GLY 89 Ca 0.51 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93