#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 2.09 -0.14 1.12 -7.23 0.82 -3.94 120.40 113.12 2k22 s VAL 2 Ca 0.00 -1.02 -0.05 0.00 -1.81 0.00 0.00 61.98 59.11 2k22 s VAL 2 Cb 0.00 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 2k22 s VAL 2 CO 0.00 0.56 0.02 -0.89 -0.31 0.00 0.00 175.10 174.48 2k22 s THR 3 N 0.25 4.46 -0.08 5.32 2.01 -1.26 -2.34 115.64 123.99 2k22 s THR 3 Ca -0.16 -0.17 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 2k22 s THR 3 Cb -0.17 -2.94 0.04 0.00 0.01 0.00 0.00 72.50 69.44 2k22 s THR 3 CO 0.08 0.53 0.16 -0.69 -0.69 0.00 0.00 174.62 174.01 2k22 s VAL 4 N -0.18 -0.15 0.17 3.82 1.01 -1.25 -0.06 120.40 123.77 2k22 s VAL 4 Ca 0.06 0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.37 2k22 s VAL 4 Cb -0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2k22 s VAL 4 CO 0.02 0.11 -0.03 -0.60 0.00 0.00 0.00 175.10 174.59 2k22 s ARG 5 N 1.68 2.29 -0.05 2.72 3.52 -1.20 -4.23 118.95 123.67 2k22 s ARG 5 Ca -0.04 -1.16 0.03 0.00 -0.13 0.00 0.00 55.73 54.43 2k22 s ARG 5 Cb -0.12 -2.29 0.01 0.00 -1.56 0.00 0.00 34.95 30.99 2k22 s ARG 5 CO -0.06 0.45 -0.12 0.71 -0.81 0.00 0.00 175.30 175.47 2k22 s TYR 6 N -1.71 1.38 0.62 5.12 2.02 -1.26 -3.85 117.35 119.66 2k22 s TYR 6 Ca 0.26 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.51 2k22 s TYR 6 Cb -0.09 -0.99 0.12 0.00 -0.40 0.00 0.00 41.96 40.60 2k22 s TYR 6 CO 0.17 -0.22 0.85 0.66 -1.57 0.00 0.00 175.55 175.45 2k22 n TYR 7 N 3.60 -2.95 -0.12 2.71 4.02 -1.26 -4.79 117.16 118.37 2k22 n TYR 7 Ca -0.21 -1.55 0.26 0.00 -0.01 0.00 0.00 57.90 56.39 2k22 n TYR 7 Cb 0.52 -0.62 0.72 0.00 -0.02 0.00 0.00 39.34 39.94 2k22 n TYR 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k22 h ALA 8 N -0.53 2.72 -0.20 -0.72 0.00 -1.98 0.38 119.26 118.92 2k22 h ALA 8 Ca -0.28 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2k22 h ALA 8 Cb 1.06 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2k22 h ALA 8 CO 0.31 -0.98 -0.23 1.79 0.00 0.00 0.00 179.25 180.14 2k22 h THR 9 N 0.00 1.25 -0.01 0.00 1.35 -1.98 -2.77 112.91 110.75 2k22 h THR 9 Ca 0.37 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2k22 h THR 9 Cb 1.52 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 2k22 h THR 9 CO -0.00 0.36 -0.66 0.18 -0.25 0.00 0.00 175.52 175.15 2k22 n LEU 10 N -4.15 1.63 0.09 3.87 4.77 0.97 -4.52 117.00 119.66 2k22 n LEU 10 Ca -0.00 -0.65 -0.16 0.00 -0.03 0.00 0.00 56.01 55.17 2k22 n LEU 10 Cb 0.37 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 2k22 n LEU 10 CO 0.41 0.33 0.51 0.03 -1.33 0.00 0.00 177.39 177.33 2k22 h ARG 11 N 1.52 -0.68 -2.10 3.23 -0.00 -0.27 -2.05 114.38 114.04 2k22 h ARG 11 Ca 0.00 0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.51 2k22 h ARG 11 Cb 0.66 0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.78 2k22 h ARG 11 CO 0.00 -0.45 0.01 -0.35 0.00 0.00 0.00 179.97 179.18 2k22 n PRO 12 N -5.38 0.58 0.00 0.04 -0.04 -1.26 -1.51 135.00 127.44 2k22 n PRO 12 Ca -0.08 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2k22 n PRO 12 Cb 0.40 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 1.96 0.00 0.01 0.52 5.41 -0.79 -4.91 119.36 121.56 2k22 n ILE 13 Ca 0.04 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.87 2k22 n ILE 13 Cb 0.28 -0.06 -0.12 0.00 -0.71 0.00 0.00 39.64 39.03 2k22 n ILE 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2k22 n THR 14 N -1.67 0.00 -4.35 1.39 -1.04 -1.09 -4.98 114.28 102.54 2k22 n THR 14 Ca 0.00 -0.35 -0.39 0.00 -2.04 0.00 0.00 64.05 61.27 2k22 n THR 14 Cb 0.00 0.16 -0.07 0.00 -1.82 0.00 0.00 70.33 68.60 2k22 n THR 14 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2k22 n LYS 15 N -2.03 -1.01 -3.81 -2.82 2.85 -0.57 -4.85 118.16 105.92 2k22 n LYS 15 Ca -0.03 0.14 -0.14 0.00 -1.05 0.00 0.00 58.31 57.22 2k22 n LYS 15 Cb 0.40 -4.71 -0.04 0.00 -0.65 0.00 0.00 35.03 30.03 2k22 n LYS 15 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2k22 n LYS 16 N -3.93 0.55 -0.57 -1.58 4.76 -1.26 -5.14 118.16 111.00 2k22 n LYS 16 Ca 0.11 -2.65 0.00 0.00 -2.87 0.00 0.00 58.31 52.89 2k22 n LYS 16 Cb 0.46 2.43 0.00 0.00 -1.84 0.00 0.00 35.03 36.08 2k22 n LYS 16 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2k22 n LYS 17 N -0.53 1.11 -4.33 1.97 2.85 -1.26 -5.02 118.16 112.94 2k22 n LYS 17 Ca 0.02 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.95 2k22 n LYS 17 Cb 0.53 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.82 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 -1.29 2.83 0.17 -1.58 -6.30 -1.26 -4.94 118.70 106.33 2k22 s GLU 18 Ca 0.00 -0.56 -0.18 0.00 -2.50 0.00 0.00 54.97 51.73 2k22 s GLU 18 Cb 0.00 -2.69 0.04 0.00 0.00 0.00 0.00 34.13 31.47 2k22 s GLU 18 CO 0.00 0.65 0.51 -1.21 0.02 0.00 0.00 175.26 175.23 2k22 s GLU 19 N -1.34 1.30 -0.12 4.30 0.41 -1.26 -5.09 118.70 116.90 2k22 s GLU 19 Ca 0.17 -0.77 -0.04 0.00 -0.41 0.00 0.00 54.97 53.93 2k22 s GLU 19 Cb -0.11 0.52 -0.03 0.00 -1.78 0.00 0.00 34.13 32.72 2k22 s GLU 19 CO 0.08 -0.55 0.01 0.95 -0.49 0.00 0.00 175.26 175.26 2k22 s THR 20 N -3.84 4.35 0.02 3.63 -4.23 -1.26 -4.12 115.64 110.20 2k22 s THR 20 Ca 0.06 -0.21 0.04 0.00 -1.18 0.00 0.00 61.69 60.40 2k22 s THR 20 Cb -0.00 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 2k22 s THR 20 CO -0.06 0.55 -0.13 0.12 -0.54 0.00 0.00 174.62 174.56 2k22 s PHE 21 N -0.33 1.10 0.37 3.99 5.36 -0.99 -4.91 117.98 122.57 2k22 s PHE 21 Ca 0.07 -0.31 0.01 0.00 -0.96 0.00 0.00 56.93 55.74 2k22 s PHE 21 Cb -0.12 -0.67 -0.02 0.00 -0.34 0.00 0.00 43.02 41.86 2k22 s PHE 21 CO 0.02 0.01 0.57 0.54 -1.46 0.00 0.00 175.22 174.90 2k22 s ASN 22 N -0.89 6.17 0.00 6.13 2.20 -1.26 -0.13 114.94 127.15 2k22 s ASN 22 Ca 0.01 0.36 0.00 0.00 -0.94 0.00 0.00 52.86 52.30 2k22 s ASN 22 Cb -0.07 -1.86 0.00 0.00 -2.00 0.00 0.00 41.25 37.32 2k22 s ASN 22 CO 0.01 -0.39 0.00 0.61 -2.94 0.00 0.00 177.10 174.38 2k22 n GLY 23 N -1.84 1.33 3.75 0.45 0.00 -1.26 -4.90 105.19 102.72 2k22 n GLY 23 Ca -0.03 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 2.75 -0.18 -0.61 -1.09 -1.26 -4.91 121.20 115.90 2k22 s ILE 24 Ca 0.00 0.64 0.15 0.00 -2.23 0.00 0.00 60.65 59.21 2k22 s ILE 24 Cb 0.00 -3.41 0.44 0.00 -1.58 0.00 0.00 42.46 37.91 2k22 s ILE 24 CO 0.00 0.11 1.20 -1.54 -1.23 0.00 0.00 174.94 173.47 2k22 n SER 25 N 2.17 2.08 -3.73 3.58 3.41 -1.26 -4.69 113.62 115.18 2k22 n SER 25 Ca 0.06 -3.30 -0.13 0.00 -0.26 0.00 0.00 58.87 55.24 2k22 n SER 25 Cb 0.41 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.60 0.80 0.37 4.33 2.20 -1.26 -1.33 119.74 122.25 2k22 s LYS 26 Ca 0.38 -0.34 0.19 0.00 -0.36 0.00 0.00 55.97 55.84 2k22 s LYS 26 Cb 0.38 0.35 0.68 0.00 -1.51 0.00 0.00 37.83 37.72 2k22 s LYS 26 CO -0.07 -0.25 1.73 0.82 -0.36 0.00 0.00 175.35 177.22 2k22 h ILE 27 N 3.38 0.88 0.35 5.43 1.08 -1.62 -1.49 117.51 125.52 2k22 h ILE 27 Ca -0.31 -1.52 -0.02 0.00 -0.39 0.00 0.00 64.86 62.63 2k22 h ILE 27 Cb 1.19 1.93 0.00 0.00 -3.07 0.00 0.00 36.82 36.87 2k22 h ILE 27 CO 0.43 0.37 -0.17 -1.28 -0.69 0.00 0.00 178.15 176.81 2k22 h SER 28 N 0.00 -0.39 0.72 1.72 0.87 -1.81 0.95 113.55 115.61 2k22 h SER 28 Ca -0.00 -0.08 -0.15 0.00 -1.23 0.00 0.00 61.79 60.32 2k22 h SER 28 Cb 0.90 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 2k22 h SER 28 CO 0.05 -0.15 -0.73 -0.33 -0.53 0.00 0.00 176.83 175.13 2k22 h GLU 29 N -0.63 0.01 0.01 2.24 3.07 -1.90 -1.79 114.58 115.59 2k22 h GLU 29 Ca -0.05 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2k22 h GLU 29 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2k22 h GLU 29 CO 0.08 0.74 -0.01 1.25 -1.40 0.00 0.00 179.01 179.67 2k22 h LEU 30 N 0.01 -0.02 -0.38 1.33 7.12 -1.20 -0.09 115.31 122.07 2k22 h LEU 30 Ca -0.01 -0.34 -0.14 0.00 0.13 0.00 0.00 57.88 57.52 2k22 h LEU 30 Cb 1.30 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.42 2k22 h LEU 30 CO 0.10 0.33 -0.30 -0.07 -0.13 0.00 0.00 178.44 178.37 2k22 h LEU 31 N -0.37 0.93 -0.76 2.25 3.38 -0.86 0.23 115.31 120.10 2k22 h LEU 31 Ca -0.00 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 2k22 h LEU 31 Cb 0.36 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2k22 h LEU 31 CO 0.00 1.18 0.30 -0.33 0.09 0.00 0.00 178.44 179.68 2k22 h GLU 32 N 0.69 1.15 0.00 1.13 4.39 -1.34 0.27 114.58 120.86 2k22 h GLU 32 Ca 0.07 -0.21 -0.20 0.00 0.34 0.00 0.00 59.36 59.35 2k22 h GLU 32 Cb 0.88 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 2k22 h GLU 32 CO 0.08 0.94 -0.97 -0.09 -1.16 0.00 0.00 179.01 177.81 2k22 h ARG 33 N 1.11 0.00 0.07 2.33 2.43 -0.94 -3.12 114.38 116.26 2k22 h ARG 33 Ca 0.25 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2k22 h ARG 33 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2k22 h ARG 33 CO -0.02 0.97 -0.03 1.25 -1.51 0.00 0.00 179.97 180.62 2k22 h LEU 34 N 0.00 -0.08 -0.97 3.80 5.85 -0.24 -0.20 115.31 123.47 2k22 h LEU 34 Ca -0.01 -0.54 0.13 0.00 0.84 0.00 0.00 57.88 58.30 2k22 h LEU 34 Cb 1.73 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.69 2k22 h LEU 34 CO 0.13 0.57 0.60 0.07 -0.34 0.00 0.00 178.44 179.46 2k22 h LYS 35 N -0.79 0.88 0.03 1.25 5.09 -0.60 -1.13 116.57 121.29 2k22 h LYS 35 Ca -0.01 -0.05 -0.23 0.00 0.09 0.00 0.00 60.65 60.45 2k22 h LYS 35 Cb 0.61 -0.20 0.00 0.00 0.10 0.00 0.00 32.23 32.75 2k22 h LYS 35 CO 0.02 0.58 -0.99 -0.24 -2.09 0.00 0.00 179.45 176.72 2k22 h VAL 36 N 0.90 1.43 -0.42 0.07 3.04 -1.60 0.43 116.25 120.10 2k22 h VAL 36 Ca 0.50 -2.59 0.09 0.00 -1.01 0.00 0.00 66.70 63.69 2k22 h VAL 36 Cb 0.57 2.53 -0.08 0.00 -2.01 0.00 0.00 31.29 32.29 2k22 h VAL 36 CO -0.29 0.77 -0.14 -0.08 -1.01 0.00 0.00 177.57 176.82 2k22 h GLU 37 N 0.18 -0.04 0.06 4.17 4.57 0.26 -3.12 114.58 120.66 2k22 h GLU 37 Ca -0.09 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.73 2k22 h GLU 37 Cb 1.65 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 30.20 2k22 h GLU 37 CO 0.17 -0.03 -2.17 0.66 -1.18 0.00 0.00 179.01 176.46 2k22 n TYR 38 N -5.34 0.68 0.00 0.92 4.01 -1.01 -5.09 117.16 111.33 2k22 n TYR 38 Ca 0.03 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 2k22 n TYR 38 Cb 0.25 -1.10 0.00 0.00 -0.31 0.00 0.00 39.34 38.19 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 2.02 0.60 0.22 2.72 0.00 0.15 -4.78 105.19 106.12 2k22 n GLY 39 Ca -0.35 -2.22 0.03 0.00 0.00 0.00 0.00 46.02 43.48 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 0.10 -0.92 1.61 4.64 -1.92 -2.77 113.55 114.29 2k22 h SER 40 Ca 0.00 -0.02 0.19 0.00 -0.47 0.00 0.00 61.79 61.49 2k22 h SER 40 Cb 0.00 -0.03 -0.11 0.00 -0.31 0.00 0.00 62.40 61.95 2k22 h SER 40 CO 0.00 0.33 0.49 -0.33 -0.87 0.00 0.00 176.83 176.45 2k22 h GLU 41 N 0.10 0.57 -0.01 4.77 4.39 -1.89 0.25 114.58 122.76 2k22 h GLU 41 Ca 0.02 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 2k22 h GLU 41 Cb 0.45 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2k22 h GLU 41 CO 0.03 0.38 -0.60 0.35 -1.16 0.00 0.00 179.01 178.01 2k22 h PHE 42 N 0.59 0.62 -1.00 4.33 3.04 -1.81 -2.56 116.94 120.16 2k22 h PHE 42 Ca 0.54 -0.33 0.05 0.00 3.98 0.00 0.00 57.97 62.21 2k22 h PHE 42 Cb 0.91 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 39.28 2k22 h PHE 42 CO -0.07 1.14 0.65 1.15 -2.02 0.00 0.00 178.31 179.16 2k22 h THR 43 N -0.08 1.13 0.00 4.41 2.02 -1.15 -0.88 112.91 118.36 2k22 h THR 43 Ca -0.07 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.60 2k22 h THR 43 Cb 1.30 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2k22 h THR 43 CO 0.12 0.22 -0.45 0.11 0.37 0.00 0.00 175.52 175.89 2k22 h LYS 44 N 1.21 0.00 -0.01 6.66 1.79 -0.59 0.30 116.57 125.94 2k22 h LYS 44 Ca 0.41 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.74 2k22 h LYS 44 Cb 0.08 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 2k22 h LYS 44 CO -0.15 0.45 -0.66 0.37 -1.08 0.00 0.00 179.45 178.38 2k22 h GLN 45 N 0.00 0.05 -0.20 3.15 -0.00 -0.76 -3.11 115.11 114.24 2k22 h GLN 45 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2k22 h GLN 45 Cb 1.06 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.55 2k22 h GLN 45 CO 0.06 0.69 0.00 -0.12 0.00 0.00 0.00 178.83 179.46 2k22 n MET 46 N -3.77 1.90 0.00 1.69 1.56 -0.62 -4.61 117.12 113.28 2k22 n MET 46 Ca -0.01 -1.65 0.00 0.00 -0.27 0.00 0.00 57.70 55.77 2k22 n MET 46 Cb 0.65 -1.23 0.00 0.00 2.15 0.00 0.00 33.22 34.80 2k22 n MET 46 CO 0.00 0.00 0.00 0.98 -0.73 0.00 0.00 175.97 176.22 2k22 n TYR 47 N 0.49 0.00 -3.39 1.12 9.36 0.11 -4.70 117.16 120.13 2k22 n TYR 47 Ca 0.09 0.00 -0.45 0.00 3.32 0.00 0.00 57.90 60.86 2k22 n TYR 47 Cb 0.35 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.03 2k22 n TYR 47 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2k22 s ASP 48 N 0.00 6.51 0.00 2.98 2.15 -0.99 -3.52 116.67 123.80 2k22 s ASP 48 Ca 0.00 -2.73 0.00 0.00 0.43 0.00 0.00 52.55 50.25 2k22 s ASP 48 Cb 0.00 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 2k22 s ASP 48 CO 0.00 -0.54 0.00 0.61 -0.17 0.00 0.00 175.17 175.07 2k22 n GLY 49 N 3.88 2.15 0.00 2.66 0.00 -1.26 -3.86 105.19 108.76 2k22 n GLY 49 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 4.55 2.60 -4.34 1.61 2.85 -1.26 -5.10 115.26 116.17 2k22 n ASN 50 Ca 0.00 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.29 2k22 n ASN 50 Cb 0.00 0.04 -0.10 0.00 1.24 0.00 0.00 39.78 40.96 2k22 n ASN 50 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2k22 s ASN 51 N -3.44 2.15 0.97 1.20 2.20 -1.25 -5.05 114.94 111.72 2k22 s ASN 51 Ca 0.00 -1.14 -0.14 0.00 -0.94 0.00 0.00 52.86 50.64 2k22 s ASN 51 Cb 0.00 -0.06 0.02 0.00 -2.00 0.00 0.00 41.25 39.21 2k22 s ASN 51 CO 0.00 -0.39 0.24 0.18 -2.94 0.00 0.00 177.10 174.20 2k22 n LEU 52 N -0.41 -0.98 0.01 3.54 7.99 -1.26 -2.34 117.00 123.55 2k22 n LEU 52 Ca -0.07 0.29 -0.01 0.00 -0.01 0.00 0.00 56.01 56.21 2k22 n LEU 52 Cb 0.63 -1.14 -0.01 0.00 -0.11 0.00 0.00 43.42 42.79 2k22 n LEU 52 CO 0.36 -3.86 0.06 0.15 -1.51 0.00 0.00 177.39 172.59 2k22 h PHE 53 N -1.53 -0.07 0.00 -1.77 3.57 -1.81 -3.43 116.94 111.89 2k22 h PHE 53 Ca -0.44 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 60.98 2k22 h PHE 53 Cb 1.29 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 2k22 h PHE 53 CO 0.36 -0.04 -0.65 -0.22 -2.23 0.00 0.00 178.31 175.52 2k22 h LYS 54 N -0.52 0.00 0.00 1.11 1.63 -1.93 -3.49 116.57 113.37 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 -4.58 0.00 -4.76 4.20 3.02 -1.26 -4.94 115.26 106.94 2k22 n ASN 55 Ca -0.15 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.99 2k22 n ASN 55 Cb 0.38 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.53 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 2.70 -0.24 2.41 1.01 -1.26 -3.72 120.40 121.29 2k22 s VAL 56 Ca 0.00 0.65 -0.00 0.00 0.00 0.00 0.00 61.98 62.63 2k22 s VAL 56 Cb 0.00 -3.42 0.07 0.00 0.00 0.00 0.00 36.38 33.03 2k22 s VAL 56 CO 0.00 0.14 0.00 -0.63 0.00 0.00 0.00 175.10 174.61 2k22 s ILE 57 N -0.70 1.22 -0.06 2.22 1.01 -0.37 -4.88 121.20 119.64 2k22 s ILE 57 Ca 0.53 -1.16 0.05 0.00 0.00 0.00 0.00 60.65 60.07 2k22 s ILE 57 Cb -0.41 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 2k22 s ILE 57 CO 0.50 -0.26 -0.21 -0.51 0.00 0.00 0.00 174.94 174.46 2k22 s ILE 58 N 1.51 1.78 0.20 2.92 2.07 -1.26 0.11 121.20 128.54 2k22 s ILE 58 Ca -0.01 -0.91 0.09 0.00 -1.41 0.00 0.00 60.65 58.42 2k22 s ILE 58 Cb -0.18 -1.52 -0.04 0.00 0.13 0.00 0.00 42.46 40.84 2k22 s ILE 58 CO -0.10 0.50 -0.08 -0.76 -1.91 0.00 0.00 174.94 172.59 2k22 s LEU 59 N -0.00 2.99 -0.12 8.50 1.43 -0.39 -4.93 118.68 126.16 2k22 s LEU 59 Ca -0.06 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 2k22 s LEU 59 Cb -0.13 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2k22 s LEU 59 CO 0.04 0.08 -0.22 -0.69 0.23 0.00 0.00 176.35 175.79 2k22 s VAL 60 N -1.88 1.97 -1.59 -1.59 1.01 -1.23 -2.00 120.40 115.09 2k22 s VAL 60 Ca 0.26 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2k22 s VAL 60 Cb -0.08 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2k22 s VAL 60 CO 0.16 0.54 0.00 -3.20 0.00 0.00 0.00 175.10 172.60 2k22 n ASN 61 N 3.82 -4.91 -1.79 3.32 5.15 0.85 -1.17 115.26 120.54 2k22 n ASN 61 Ca -0.20 0.18 -0.12 0.00 -0.60 0.00 0.00 54.58 53.85 2k22 n ASN 61 Cb 0.52 -4.20 0.03 0.00 -0.53 0.00 0.00 39.78 35.59 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 -0.74 0.11 3.41 8.20 0.00 -1.25 -4.84 105.19 110.08 2k22 n GLY 62 Ca -0.20 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.96 -0.11 0.05 1.61 0.01 -0.32 -5.13 114.94 108.09 2k22 s ASN 63 Ca 0.20 0.17 -0.36 0.00 -0.71 0.00 0.00 52.86 52.16 2k22 s ASN 63 Cb -0.09 1.10 -0.15 0.00 0.41 0.00 0.00 41.25 42.52 2k22 s ASN 63 CO 0.25 -0.02 1.53 -0.46 -1.51 0.00 0.00 177.10 176.88 2k22 n ASN 64 N 3.93 2.44 0.17 -1.22 0.23 -1.26 -3.53 115.26 116.02 2k22 n ASN 64 Ca -0.12 1.09 0.18 0.00 -0.53 0.00 0.00 54.58 55.20 2k22 n ASN 64 Cb 0.56 -1.29 0.80 0.00 -2.08 0.00 0.00 39.78 37.76 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 3.87 0.47 -0.10 1.53 3.07 -1.84 0.29 117.51 124.81 2k22 h ILE 65 Ca -0.47 0.00 0.03 0.00 1.55 0.00 0.00 64.86 65.97 2k22 h ILE 65 Cb 1.30 0.79 -0.00 0.00 -0.27 0.00 0.00 36.82 38.63 2k22 h ILE 65 CO 0.86 0.00 0.09 0.71 -1.05 0.00 0.00 178.15 178.76 2k22 h THR 66 N 0.00 0.61 -0.78 0.16 1.35 -1.86 -1.85 112.91 110.53 2k22 h THR 66 Ca 0.12 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.16 2k22 h THR 66 Cb 0.66 0.93 -0.12 0.00 -1.73 0.00 0.00 68.15 67.89 2k22 h THR 66 CO -0.00 0.00 0.19 -1.28 -0.25 0.00 0.00 175.52 174.18 2k22 h SER 67 N 0.00 0.00 0.00 5.36 0.87 -1.28 -3.40 113.55 115.10 2k22 h SER 67 Ca 0.05 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2k22 h SER 67 Cb 0.23 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2k22 h SER 67 CO -0.00 -0.07 0.00 1.15 -0.53 0.00 0.00 176.83 177.38 2k22 n MET 68 N -5.18 0.00 -4.98 2.24 -0.00 -0.90 -5.09 117.12 103.21 2k22 n MET 68 Ca 0.16 0.00 -0.28 0.00 -0.00 0.00 0.00 57.70 57.58 2k22 n MET 68 Cb 0.52 0.00 -0.16 0.00 -0.00 0.00 0.00 33.22 33.58 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 -0.42 2.24 0.00 3.17 1.02 -0.75 -5.07 119.74 119.94 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 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.47 2k22 s LYS 69 CO 0.00 0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.06 2k22 n GLY 70 N 3.31 -2.05 0.15 -3.33 0.00 -1.23 -3.21 105.19 98.83 2k22 n GLY 70 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.92 115.31 117.28 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 -2.52 0.00 -4.70 1.25 9.92 -1.26 -2.98 116.55 116.26 2k22 n ASP 72 Ca 0.04 0.09 -0.42 0.00 -0.53 0.00 0.00 54.79 53.97 2k22 n ASP 72 Cb 0.39 -0.34 -0.03 0.00 -0.64 0.00 0.00 41.12 40.50 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 -2.68 2.52 0.01 -3.53 2.01 -1.10 -4.91 115.64 107.95 2k22 s THR 73 Ca 0.20 0.14 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 2k22 s THR 73 Cb 0.16 -3.09 -0.06 0.00 0.01 0.00 0.00 72.50 69.52 2k22 s THR 73 CO 0.38 0.00 0.47 -1.83 -0.69 0.00 0.00 174.62 172.96 2k22 s GLU 74 N 2.28 4.06 -0.20 4.92 1.03 -1.26 -2.46 118.70 127.07 2k22 s GLU 74 Ca 0.78 0.53 -0.03 0.00 0.03 0.00 0.00 54.97 56.27 2k22 s GLU 74 Cb -0.46 -3.25 -0.01 0.00 -0.80 0.00 0.00 34.13 29.61 2k22 s GLU 74 CO 0.34 0.61 -0.06 0.96 -1.33 0.00 0.00 175.26 175.79 2k22 s ILE 75 N -0.89 3.35 0.77 1.83 -4.36 -0.44 -4.95 121.20 116.52 2k22 s ILE 75 Ca 0.26 -0.51 -0.07 0.00 -0.26 0.00 0.00 60.65 60.07 2k22 s ILE 75 Cb -0.17 -2.50 0.12 0.00 1.25 0.00 0.00 42.46 41.15 2k22 s ILE 75 CO 0.15 0.44 1.08 -0.54 0.24 0.00 0.00 174.94 176.32 2k22 s LYS 76 N 1.22 1.64 0.46 0.37 1.02 -1.26 -4.41 119.74 118.79 2k22 s LYS 76 Ca 0.03 -0.57 0.14 0.00 0.02 0.00 0.00 55.97 55.59 2k22 s LYS 76 Cb -0.14 -2.14 1.05 0.00 -0.52 0.00 0.00 37.83 36.07 2k22 s LYS 76 CO -0.02 -1.59 2.03 -0.44 -0.92 0.00 0.00 175.35 174.41 2k22 h ASP 77 N -0.83 0.03 0.69 2.83 5.19 -1.97 -2.26 116.42 120.09 2k22 h ASP 77 Ca -0.42 -0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.74 2k22 h ASP 77 Cb 1.28 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 2k22 h ASP 77 CO 0.48 0.16 -1.11 0.44 -3.12 0.00 0.00 179.24 176.09 2k22 h ASP 78 N 0.03 0.31 -3.21 6.45 3.32 -1.94 -3.41 116.42 117.98 2k22 h ASP 78 Ca 0.01 -0.31 -0.57 0.00 0.02 0.00 0.00 57.03 56.18 2k22 h ASP 78 Cb 0.23 -0.10 0.18 0.00 0.22 0.00 0.00 39.33 39.87 2k22 h ASP 78 CO 0.02 1.21 -0.35 0.47 -1.72 0.00 0.00 179.24 178.87 2k22 n ASP 79 N -3.53 -0.99 -3.78 6.45 9.92 -0.85 -5.01 116.55 118.77 2k22 n ASP 79 Ca -0.06 0.63 -0.13 0.00 -0.53 0.00 0.00 54.79 54.71 2k22 n ASP 79 Cb 0.96 -1.23 -0.12 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 -2.66 0.25 -0.09 -1.24 -2.85 -1.26 -4.18 119.74 107.71 2k22 s LYS 80 Ca 0.67 0.37 -0.03 0.00 -1.00 0.00 0.00 55.97 55.99 2k22 s LYS 80 Cb -0.37 0.07 -0.03 0.00 -2.06 0.00 0.00 37.83 35.43 2k22 s LYS 80 CO 0.56 -0.06 0.03 0.42 0.10 0.00 0.00 175.35 176.40 2k22 s ILE 81 N 0.41 4.54 -0.02 3.79 1.09 0.92 -0.11 121.20 131.82 2k22 s ILE 81 Ca -0.02 -0.16 0.00 0.00 -1.10 0.00 0.00 60.65 59.37 2k22 s ILE 81 Cb -0.04 -2.93 0.02 0.00 -1.06 0.00 0.00 42.46 38.46 2k22 s ILE 81 CO -0.02 0.61 0.01 -1.81 -0.10 0.00 0.00 174.94 173.63 2k22 s ASP 82 N -0.90 0.20 -0.03 3.58 1.01 -0.85 -3.21 116.67 116.47 2k22 s ASP 82 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 52.55 53.40 2k22 s ASP 82 Cb -0.11 -0.11 -0.03 0.00 1.01 0.00 0.00 42.92 43.68 2k22 s ASP 82 CO 0.03 -0.08 -0.01 -0.22 0.21 0.00 0.00 175.17 175.10 2k22 s LEU 83 N 0.77 3.49 0.00 1.23 0.20 -1.25 -1.26 118.68 121.86 2k22 s LEU 83 Ca -0.07 0.03 0.06 0.00 0.69 0.00 0.00 54.13 54.84 2k22 s LEU 83 Cb -0.10 -1.92 -0.02 0.00 -0.43 0.00 0.00 46.19 43.73 2k22 s LEU 83 CO -0.02 0.32 -0.17 0.12 -0.29 0.00 0.00 176.35 176.31 2k22 s PHE 84 N -0.99 1.53 0.87 5.38 5.36 0.12 -4.53 117.98 125.71 2k22 s PHE 84 Ca 0.17 -0.31 -0.11 0.00 -0.96 0.00 0.00 56.93 55.72 2k22 s PHE 84 Cb -0.11 -0.96 0.12 0.00 -0.34 0.00 0.00 43.02 41.72 2k22 s PHE 84 CO 0.07 0.00 1.09 -1.25 -1.46 0.00 0.00 175.22 173.67 2k22 s PRO 85 N -0.63 1.44 0.60 10.12 0.04 -1.26 -1.23 135.00 144.08 2k22 s PRO 85 Ca 0.06 0.89 -0.17 0.00 0.04 0.00 0.00 61.00 61.81 2k22 s PRO 85 Cb -0.07 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2k22 s PRO 85 CO 0.00 -2.13 1.12 -1.25 0.04 0.00 0.00 177.00 174.78 2k22 s PRO 86 N -4.93 3.08 0.47 0.56 0.04 -1.24 -4.52 135.00 128.46 2k22 s PRO 86 Ca 0.63 1.50 0.14 0.00 0.04 0.00 0.00 61.00 63.30 2k22 s PRO 86 Cb -0.18 -1.98 1.11 0.00 0.04 0.00 0.00 34.50 33.50 2k22 s PRO 86 CO 0.57 -1.05 2.08 -0.39 0.04 0.00 0.00 177.00 178.25 2k22 h VAL 87 N 0.60 1.00 -0.91 -0.36 -1.51 -1.93 -1.10 116.25 112.03 2k22 h VAL 87 Ca -0.48 -0.08 -0.53 0.00 -1.23 0.00 0.00 66.70 64.38 2k22 h VAL 87 Cb 1.25 0.74 -0.28 0.00 -2.13 0.00 0.00 31.29 30.87 2k22 h VAL 87 CO 0.55 0.04 0.67 0.00 -1.23 0.00 0.00 177.57 177.61 2k22 n ALA 88 N -2.53 5.62 -2.45 5.19 0.00 -1.26 -4.94 120.51 120.14 2k22 n ALA 88 Ca 0.02 -2.83 -0.22 0.00 0.00 0.00 0.00 53.44 50.41 2k22 n ALA 88 Cb 0.17 -1.52 -0.10 0.00 0.00 0.00 0.00 19.45 18.00 2k22 n ALA 88 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k22 s GLY 89 N -1.24 2.11 0.00 0.00 0.00 -0.42 -5.10 107.32 102.67 2k22 s GLY 89 Ca 0.55 -1.98 0.00 0.00 0.00 0.00 0.00 44.72 43.29 2k22 s GLY 89 CO 0.06 -1.81 0.00 0.61 0.00 0.00 0.00 173.10 171.96