#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 2.02 -0.11 1.12 -7.23 0.89 -4.02 120.40 113.07 2k22 s VAL 2 Ca 0.00 -1.01 -0.13 0.00 -1.81 0.00 0.00 61.98 59.03 2k22 s VAL 2 Cb 0.00 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 2k22 s VAL 2 CO 0.00 0.55 0.31 -0.89 -0.31 0.00 0.00 175.10 174.76 2k22 s THR 3 N 0.19 5.26 -0.13 5.32 2.01 -1.25 -2.21 115.64 124.82 2k22 s THR 3 Ca -0.14 0.59 0.03 0.00 0.31 0.00 0.00 61.69 62.48 2k22 s THR 3 Cb -0.16 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.73 2k22 s THR 3 CO 0.07 0.48 -0.22 0.68 -0.69 0.00 0.00 174.62 174.94 2k22 s VAL 4 N -0.21 2.05 0.16 3.82 -7.23 -1.24 0.11 120.40 117.85 2k22 s VAL 4 Ca 0.19 -0.98 0.08 0.00 -1.81 0.00 0.00 61.98 59.45 2k22 s VAL 4 Cb -0.14 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 2k22 s VAL 4 CO 0.07 0.55 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.75 2k22 s ARG 5 N 0.73 2.23 -0.03 4.82 3.52 -0.49 -4.32 118.95 125.41 2k22 s ARG 5 Ca -0.09 -1.14 -0.08 0.00 -0.13 0.00 0.00 55.73 54.29 2k22 s ARG 5 Cb -0.16 -2.28 0.01 0.00 -1.56 0.00 0.00 34.95 30.96 2k22 s ARG 5 CO -0.00 0.46 0.18 0.71 -0.81 0.00 0.00 175.30 175.84 2k22 s TYR 6 N -1.61 -0.07 0.27 5.12 2.02 -1.26 -2.68 117.35 119.13 2k22 s TYR 6 Ca 0.25 0.14 0.02 0.00 -0.37 0.00 0.00 57.07 57.12 2k22 s TYR 6 Cb -0.10 0.01 0.02 0.00 -0.40 0.00 0.00 41.96 41.50 2k22 s TYR 6 CO 0.16 -0.24 0.19 0.66 -1.57 0.00 0.00 175.55 174.75 2k22 n TYR 7 N 1.95 -0.96 -0.19 2.71 4.02 -1.26 -4.88 117.16 118.55 2k22 n TYR 7 Ca -0.19 -1.14 0.29 0.00 -0.01 0.00 0.00 57.90 56.85 2k22 n TYR 7 Cb 0.57 -0.22 0.73 0.00 -0.02 0.00 0.00 39.34 40.40 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 0.74 2.87 -0.58 -0.72 0.00 -1.95 0.36 119.26 119.98 2k22 h ALA 8 Ca -0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2k22 h ALA 8 Cb 0.62 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2k22 h ALA 8 CO 0.27 -1.14 0.08 1.79 0.00 0.00 0.00 179.25 180.25 2k22 h THR 9 N 0.00 1.26 -0.40 0.00 1.35 -1.94 -2.94 112.91 110.24 2k22 h THR 9 Ca 0.44 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2k22 h THR 9 Cb 1.77 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2k22 h THR 9 CO -0.00 0.37 0.00 0.18 -0.25 0.00 0.00 175.52 175.81 2k22 n LEU 10 N -4.31 4.51 0.46 3.87 7.99 0.54 -4.65 117.00 125.41 2k22 n LEU 10 Ca 0.03 -2.88 -0.18 0.00 -0.01 0.00 0.00 56.01 52.97 2k22 n LEU 10 Cb 0.28 -0.57 -0.09 0.00 -0.11 0.00 0.00 43.42 42.93 2k22 n LEU 10 CO 0.42 0.68 0.48 0.03 -1.51 0.00 0.00 177.39 177.48 2k22 h ARG 11 N 2.72 -1.13 0.00 3.23 3.08 -0.25 0.78 114.38 122.82 2k22 h ARG 11 Ca 0.00 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2k22 h ARG 11 Cb 1.58 0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.88 2k22 h ARG 11 CO 0.30 -0.75 0.00 -0.35 -1.07 0.00 0.00 179.97 178.09 2k22 n PRO 12 N -5.47 0.09 -0.01 0.04 -0.04 -1.26 -1.53 135.00 126.82 2k22 n PRO 12 Ca -0.15 0.21 0.05 0.00 -0.04 0.00 0.00 63.50 63.57 2k22 n PRO 12 Cb 0.46 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.41 0.53 0.35 0.52 5.41 -1.08 -4.23 119.36 119.45 2k22 n ILE 13 Ca 0.05 -0.61 0.08 0.00 1.00 0.00 0.00 62.75 63.27 2k22 n ILE 13 Cb 0.15 -0.24 0.11 0.00 -0.71 0.00 0.00 39.64 38.95 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 -2.50 0.34 -1.69 1.39 5.66 0.25 -4.75 114.28 112.97 2k22 n THR 14 Ca -0.11 -0.67 -0.17 0.00 -3.05 0.00 0.00 64.05 60.05 2k22 n THR 14 Cb 0.73 1.05 -0.06 0.00 -1.55 0.00 0.00 70.33 70.50 2k22 n THR 14 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k22 n LYS 15 N 0.88 -1.23 -3.22 1.09 5.02 -0.58 -3.59 118.16 116.53 2k22 n LYS 15 Ca 0.11 1.04 -0.17 0.00 -2.02 0.00 0.00 58.31 57.27 2k22 n LYS 15 Cb 0.42 -5.32 0.01 0.00 -0.02 0.00 0.00 35.03 30.13 2k22 n LYS 15 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k22 n LYS 16 N -2.54 -1.92 -3.62 1.97 5.02 -0.71 -5.03 118.16 111.34 2k22 n LYS 16 Ca -0.18 1.60 0.01 0.00 -2.02 0.00 0.00 58.31 57.72 2k22 n LYS 16 Cb 0.58 -4.21 -0.06 0.00 -0.02 0.00 0.00 35.03 31.33 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 -3.01 0.15 -0.00 1.97 2.20 -1.24 -5.16 119.74 114.66 2k22 s LYS 17 Ca 0.20 0.26 0.05 0.00 -0.36 0.00 0.00 55.97 56.12 2k22 s LYS 17 Cb -0.04 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.29 2k22 s LYS 17 CO 0.81 -0.03 -0.16 -2.00 -0.36 0.00 0.00 175.35 173.61 2k22 s GLU 18 N 1.21 2.29 0.18 4.03 2.12 -1.26 -4.99 118.70 122.29 2k22 s GLU 18 Ca -0.08 -0.84 -0.19 0.00 0.36 0.00 0.00 54.97 54.22 2k22 s GLU 18 Cb -0.03 -2.28 0.04 0.00 0.26 0.00 0.00 34.13 32.12 2k22 s GLU 18 CO -0.12 0.58 0.55 -2.00 -0.54 0.00 0.00 175.26 173.73 2k22 s GLU 19 N -1.12 1.34 -0.09 4.30 2.56 -1.26 -5.07 118.70 119.37 2k22 s GLU 19 Ca 0.13 -0.73 0.00 0.00 0.00 0.00 0.00 54.97 54.37 2k22 s GLU 19 Cb -0.11 0.54 -0.03 0.00 2.00 0.00 0.00 34.13 36.54 2k22 s GLU 19 CO 0.03 -0.58 -0.07 0.95 -0.56 0.00 0.00 175.26 175.04 2k22 s THR 20 N -3.83 3.68 0.02 -1.70 -4.23 -1.26 -3.67 115.64 104.65 2k22 s THR 20 Ca 0.06 -0.48 0.05 0.00 -1.18 0.00 0.00 61.69 60.14 2k22 s THR 20 Cb -0.01 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 2k22 s THR 20 CO -0.06 0.58 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.09 2k22 s PHE 21 N -0.53 1.23 0.30 3.99 0.08 -0.94 -4.88 117.98 117.23 2k22 s PHE 21 Ca 0.08 -0.31 0.08 0.00 0.12 0.00 0.00 56.93 56.91 2k22 s PHE 21 Cb -0.12 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 2k22 s PHE 21 CO 0.02 0.02 0.13 0.54 -0.10 0.00 0.00 175.22 175.82 2k22 s ASN 22 N -0.83 4.89 0.00 1.36 4.22 -1.26 -0.07 114.94 123.25 2k22 s ASN 22 Ca 0.03 -0.59 0.00 0.00 -2.14 0.00 0.00 52.86 50.16 2k22 s ASN 22 Cb -0.07 -0.93 0.00 0.00 1.28 0.00 0.00 41.25 41.53 2k22 s ASN 22 CO 0.01 -0.16 0.00 0.61 -2.04 0.00 0.00 177.10 175.51 2k22 n GLY 23 N -1.11 0.26 3.65 0.45 0.00 -1.26 -4.89 105.19 102.29 2k22 n GLY 23 Ca -0.05 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 3.50 -1.34 -0.61 -1.09 -1.26 -4.88 121.20 115.52 2k22 s ILE 24 Ca 0.00 0.59 -0.09 0.00 -2.23 0.00 0.00 60.65 58.92 2k22 s ILE 24 Cb 0.00 -3.42 -0.11 0.00 -1.58 0.00 0.00 42.46 37.35 2k22 s ILE 24 CO 0.00 -0.10 3.04 -1.54 -1.23 0.00 0.00 174.94 175.11 2k22 n SER 25 N 7.77 8.16 -3.68 3.58 3.41 -1.26 -4.69 113.62 126.90 2k22 n SER 25 Ca 0.19 -2.59 -0.13 0.00 -0.26 0.00 0.00 58.87 56.07 2k22 n SER 25 Cb 0.43 -1.52 -0.07 0.00 -0.26 0.00 0.00 64.21 62.79 2k22 n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2k22 s LYS 26 N 1.76 0.86 0.42 4.33 1.02 -1.26 -1.87 119.74 124.99 2k22 s LYS 26 Ca 0.69 -0.28 0.22 0.00 0.02 0.00 0.00 55.97 56.61 2k22 s LYS 26 Cb 0.20 0.39 0.81 0.00 -0.52 0.00 0.00 37.83 38.71 2k22 s LYS 26 CO -0.05 -0.28 1.78 0.82 -0.92 0.00 0.00 175.35 176.70 2k22 h ILE 27 N 3.23 0.65 0.11 2.17 1.08 -1.54 -2.65 117.51 120.57 2k22 h ILE 27 Ca -0.31 -1.27 0.01 0.00 -0.39 0.00 0.00 64.86 62.91 2k22 h ILE 27 Cb 1.19 1.84 -0.03 0.00 -3.07 0.00 0.00 36.82 36.75 2k22 h ILE 27 CO 0.43 0.27 -0.20 -1.28 -0.69 0.00 0.00 178.15 176.68 2k22 h SER 28 N 0.00 -0.55 -0.10 1.72 0.87 -1.81 0.15 113.55 113.84 2k22 h SER 28 Ca -0.00 0.06 -0.24 0.00 -1.23 0.00 0.00 61.79 60.38 2k22 h SER 28 Cb 0.81 0.21 0.01 0.00 -0.44 0.00 0.00 62.40 63.00 2k22 h SER 28 CO 0.04 -0.28 -0.87 -0.08 -0.53 0.00 0.00 176.83 175.11 2k22 h GLU 29 N -0.38 0.77 -0.04 2.24 4.22 -1.89 -1.08 114.58 118.42 2k22 h GLU 29 Ca 0.02 -0.69 0.03 0.00 0.08 0.00 0.00 59.36 58.81 2k22 h GLU 29 Cb 0.40 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2k22 h GLU 29 CO -0.11 1.28 -0.14 1.25 -2.18 0.00 0.00 179.01 179.11 2k22 h LEU 30 N 0.50 -0.42 -0.23 1.64 6.46 -1.31 0.26 115.31 122.20 2k22 h LEU 30 Ca -0.08 0.07 -0.14 0.00 -0.12 0.00 0.00 57.88 57.61 2k22 h LEU 30 Cb 1.50 0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 41.62 2k22 h LEU 30 CO 0.18 -0.19 -0.40 -0.07 -0.62 0.00 0.00 178.44 177.33 2k22 h LEU 31 N -0.22 0.75 -1.46 2.25 3.38 -0.77 -2.01 115.31 117.23 2k22 h LEU 31 Ca 0.06 -0.53 0.04 0.00 0.09 0.00 0.00 57.88 57.54 2k22 h LEU 31 Cb 0.30 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2k22 h LEU 31 CO -0.16 1.14 0.40 -0.08 0.09 0.00 0.00 178.44 179.83 2k22 h GLU 32 N 0.39 0.67 0.03 1.13 4.81 -0.95 0.29 114.58 120.96 2k22 h GLU 32 Ca 0.02 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 58.99 2k22 h GLU 32 Cb 0.99 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2k22 h GLU 32 CO 0.09 0.44 -0.99 -0.09 -0.73 0.00 0.00 179.01 177.74 2k22 h ARG 33 N 0.69 0.16 -0.07 1.92 1.12 -0.42 -2.66 114.38 115.11 2k22 h ARG 33 Ca 0.25 -0.22 -0.24 0.00 -1.11 0.00 0.00 59.98 58.66 2k22 h ARG 33 Cb 0.13 0.07 0.01 0.00 -0.01 0.00 0.00 29.97 30.17 2k22 h ARG 33 CO -0.07 1.02 -0.91 -0.07 -3.11 0.00 0.00 179.97 176.83 2k22 h LEU 34 N 0.07 0.90 -0.67 3.80 3.38 -0.53 -0.62 115.31 121.65 2k22 h LEU 34 Ca -0.06 -0.66 -0.12 0.00 0.09 0.00 0.00 57.88 57.14 2k22 h LEU 34 Cb 1.67 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2k22 h LEU 34 CO 0.15 1.46 -0.27 0.07 0.09 0.00 0.00 178.44 179.94 2k22 h LYS 35 N 0.46 0.74 0.04 1.13 2.10 -0.53 -0.35 116.57 120.16 2k22 h LYS 35 Ca -0.09 -0.32 -0.24 0.00 -2.00 0.00 0.00 60.65 58.00 2k22 h LYS 35 Cb 1.55 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.86 2k22 h LYS 35 CO 0.18 0.93 -1.04 -0.24 -2.00 0.00 0.00 179.45 177.28 2k22 h VAL 36 N 0.64 1.43 0.05 0.07 3.04 -1.50 0.44 116.25 120.42 2k22 h VAL 36 Ca 0.08 -2.64 -0.00 0.00 -1.01 0.00 0.00 66.70 63.13 2k22 h VAL 36 Cb 0.78 2.59 0.00 0.00 -2.01 0.00 0.00 31.29 32.65 2k22 h VAL 36 CO 0.06 0.78 -0.02 -0.08 -1.01 0.00 0.00 177.57 177.30 2k22 h GLU 37 N 0.17 -0.06 0.19 4.17 4.57 -1.02 -3.32 114.58 119.28 2k22 h GLU 37 Ca -0.10 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.78 2k22 h GLU 37 Cb 1.70 0.01 0.02 0.00 -0.16 0.00 0.00 28.75 30.33 2k22 h GLU 37 CO 0.18 0.42 -1.36 1.88 -1.18 0.00 0.00 179.01 178.94 2k22 h TYR 38 N -0.58 0.80 0.00 0.92 0.05 -1.17 -3.51 116.97 113.48 2k22 h TYR 38 Ca -0.01 -0.57 0.00 0.00 0.05 0.00 0.00 58.73 58.20 2k22 h TYR 38 Cb 0.51 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2k22 h TYR 38 CO 0.09 1.44 0.00 0.41 -1.05 0.00 0.00 178.16 179.05 2k22 n GLY 39 N 1.60 1.92 0.24 3.88 0.00 0.16 -4.78 105.19 108.21 2k22 n GLY 39 Ca -0.13 -2.13 0.02 0.00 0.00 0.00 0.00 46.02 43.78 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 0.27 -0.91 1.61 0.02 -1.91 -2.56 113.55 110.07 2k22 h SER 40 Ca 0.00 -0.06 0.14 0.00 -0.84 0.00 0.00 61.79 61.04 2k22 h SER 40 Cb 0.00 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.40 2k22 h SER 40 CO 0.00 0.42 0.58 -0.33 -1.14 0.00 0.00 176.83 176.36 2k22 h GLU 41 N 0.27 0.71 0.20 3.45 4.39 -1.88 0.82 114.58 122.54 2k22 h GLU 41 Ca 0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2k22 h GLU 41 Cb 0.37 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2k22 h GLU 41 CO 0.02 0.47 -0.10 0.35 -1.16 0.00 0.00 179.01 178.60 2k22 h PHE 42 N 0.74 -0.25 -0.84 4.33 3.57 -1.76 0.20 116.94 122.93 2k22 h PHE 42 Ca 0.46 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.96 2k22 h PHE 42 Cb 0.70 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 2k22 h PHE 42 CO -0.00 0.04 0.54 1.79 -2.23 0.00 0.00 178.31 178.44 2k22 h THR 43 N -0.54 1.22 0.00 4.41 1.35 -1.43 0.16 112.91 118.08 2k22 h THR 43 Ca -0.03 -0.44 -0.10 0.00 -0.55 0.00 0.00 66.41 65.29 2k22 h THR 43 Cb 0.40 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.81 2k22 h THR 43 CO 0.05 0.22 -0.48 0.11 -0.25 0.00 0.00 175.52 175.17 2k22 h LYS 44 N 1.15 0.00 0.00 4.72 1.57 -0.79 0.32 116.57 123.54 2k22 h LYS 44 Ca 0.31 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.97 2k22 h LYS 44 Cb -0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2k22 h LYS 44 CO -0.06 0.48 -0.76 0.37 -0.57 0.00 0.00 179.45 178.90 2k22 h GLN 45 N 0.00 0.00 -0.23 3.15 5.75 0.38 -3.29 115.11 120.87 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 0.44 0.00 -0.12 -2.65 0.00 0.00 178.83 176.56 2k22 n MET 46 N -3.13 2.01 -3.17 1.69 1.56 0.45 -4.50 117.12 112.05 2k22 n MET 46 Ca -0.01 -1.73 0.05 0.00 -0.27 0.00 0.00 57.70 55.74 2k22 n MET 46 Cb 0.76 -1.25 -0.02 0.00 2.15 0.00 0.00 33.22 34.86 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 -0.98 -0.52 -0.54 1.12 5.04 0.11 -4.71 117.35 116.88 2k22 s TYR 47 Ca 0.20 0.58 0.03 0.00 -2.44 0.00 0.00 57.07 55.44 2k22 s TYR 47 Cb 0.11 0.19 0.14 0.00 0.35 0.00 0.00 41.96 42.75 2k22 s TYR 47 CO 0.15 -0.28 0.29 0.34 -1.34 0.00 0.00 175.55 174.71 2k22 s ASP 48 N 2.89 4.44 0.00 4.32 2.15 -0.52 -3.65 116.67 126.31 2k22 s ASP 48 Ca -0.01 -3.01 0.00 0.00 0.43 0.00 0.00 52.55 49.96 2k22 s ASP 48 Cb -0.10 -1.67 0.00 0.00 -0.30 0.00 0.00 42.92 40.85 2k22 s ASP 48 CO -0.11 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 2k22 n GLY 49 N 3.13 1.87 0.01 2.66 0.00 -1.26 -3.38 105.19 108.22 2k22 n GLY 49 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 5.36 4.51 -4.17 1.61 3.02 -1.26 -5.07 115.26 119.26 2k22 n ASN 50 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 2k22 n ASN 50 Cb 0.00 0.83 -0.10 0.00 -0.61 0.00 0.00 39.78 39.90 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 -2.74 0.71 1.03 6.41 -0.87 -1.22 -5.12 114.94 113.15 2k22 s ASN 51 Ca -0.01 -1.14 -0.16 0.00 -1.57 0.00 0.00 52.86 49.98 2k22 s ASN 51 Cb 0.01 0.20 0.04 0.00 -0.02 0.00 0.00 41.25 41.48 2k22 s ASN 51 CO 0.08 -0.63 0.06 0.18 -2.57 0.00 0.00 177.10 174.23 2k22 n LEU 52 N -0.10 -1.64 -0.00 0.60 7.99 -1.26 -1.43 117.00 121.16 2k22 n LEU 52 Ca -0.08 0.11 -0.01 0.00 -0.01 0.00 0.00 56.01 56.02 2k22 n LEU 52 Cb 0.63 -1.04 -0.00 0.00 -0.11 0.00 0.00 43.42 42.90 2k22 n LEU 52 CO 0.31 -3.50 0.04 0.15 -1.51 0.00 0.00 177.39 172.88 2k22 h PHE 53 N -1.72 -0.04 0.00 -1.77 3.57 -1.80 -3.42 116.94 111.76 2k22 h PHE 53 Ca -0.48 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 60.89 2k22 h PHE 53 Cb 1.32 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 2k22 h PHE 53 CO 0.26 -0.03 -0.86 1.57 -2.23 0.00 0.00 178.31 177.02 2k22 h LYS 54 N -0.47 0.00 0.00 1.11 2.10 -1.93 -3.48 116.57 113.89 2k22 h LYS 54 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k22 h LYS 54 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2k22 h LYS 54 CO 0.01 0.70 0.00 0.09 -2.00 0.00 0.00 179.45 178.25 2k22 n ASN 55 N -4.52 0.00 -4.77 7.07 5.03 -1.26 -5.00 115.26 111.81 2k22 n ASN 55 Ca -0.22 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 54.83 2k22 n ASN 55 Cb 0.52 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.26 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 2.67 -0.25 2.41 1.01 -1.26 -3.65 120.40 121.33 2k22 s VAL 56 Ca 0.00 0.65 0.01 0.00 0.00 0.00 0.00 61.98 62.64 2k22 s VAL 56 Cb 0.00 -3.41 0.07 0.00 0.00 0.00 0.00 36.38 33.04 2k22 s VAL 56 CO 0.00 0.14 -0.04 -0.63 0.00 0.00 0.00 175.10 174.57 2k22 s ILE 57 N -1.18 1.59 -0.05 2.22 1.01 -0.68 -4.86 121.20 119.25 2k22 s ILE 57 Ca 0.52 -1.35 0.05 0.00 0.00 0.00 0.00 60.65 59.87 2k22 s ILE 57 Cb -0.39 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2k22 s ILE 57 CO 0.52 -0.18 -0.21 -0.51 0.00 0.00 0.00 174.94 174.56 2k22 s ILE 58 N 1.35 1.74 0.31 2.92 2.07 -1.26 0.07 121.20 128.40 2k22 s ILE 58 Ca -0.04 -0.90 0.09 0.00 -1.41 0.00 0.00 60.65 58.40 2k22 s ILE 58 Cb -0.19 -1.48 -0.05 0.00 0.13 0.00 0.00 42.46 40.88 2k22 s ILE 58 CO -0.08 0.49 0.02 -0.76 -1.91 0.00 0.00 174.94 172.70 2k22 s LEU 59 N -0.13 3.08 -0.08 8.50 1.43 -0.74 -4.92 118.68 125.83 2k22 s LEU 59 Ca -0.02 -0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 52.24 2k22 s LEU 59 Cb -0.12 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.59 2k22 s LEU 59 CO 0.02 -0.15 -0.01 -0.69 0.23 0.00 0.00 176.35 175.76 2k22 s VAL 60 N -2.43 0.45 -1.42 -1.59 1.01 0.81 -2.36 120.40 114.86 2k22 s VAL 60 Ca 0.34 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 2k22 s VAL 60 Cb -0.03 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.79 2k22 s VAL 60 CO 0.20 0.26 1.08 -3.20 0.00 0.00 0.00 175.10 173.44 2k22 n ASN 61 N 5.12 -5.33 -3.11 3.32 2.85 0.82 -1.80 115.26 117.14 2k22 n ASN 61 Ca -0.08 -0.65 -0.21 0.00 -0.11 0.00 0.00 54.58 53.53 2k22 n ASN 61 Cb 0.50 -4.53 0.06 0.00 1.24 0.00 0.00 39.78 37.06 2k22 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k22 n GLY 62 N -1.83 -0.35 3.60 8.20 0.00 -1.26 -4.87 105.19 108.69 2k22 n GLY 62 Ca -0.00 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.21 -0.16 -0.17 1.61 3.84 -0.74 -5.14 114.94 110.96 2k22 s ASN 63 Ca 0.48 0.06 -0.19 0.00 0.21 0.00 0.00 52.86 53.41 2k22 s ASN 63 Cb -0.21 0.16 -0.03 0.00 -0.55 0.00 0.00 41.25 40.61 2k22 s ASN 63 CO 0.59 -0.23 0.56 0.54 -2.79 0.00 0.00 177.10 175.77 2k22 s ASN 64 N -1.87 6.66 0.50 -4.21 2.20 -1.26 -0.14 114.94 116.83 2k22 s ASN 64 Ca 0.08 0.80 0.21 0.00 -0.94 0.00 0.00 52.86 53.01 2k22 s ASN 64 Cb -0.01 -2.32 1.28 0.00 -2.00 0.00 0.00 41.25 38.21 2k22 s ASN 64 CO -0.05 -0.16 2.00 0.16 -2.94 0.00 0.00 177.10 176.11 2k22 h ILE 65 N 5.02 0.80 -0.16 0.54 3.07 -1.86 0.54 117.51 125.46 2k22 h ILE 65 Ca -0.35 -0.04 0.05 0.00 1.55 0.00 0.00 64.86 66.06 2k22 h ILE 65 Cb 1.16 0.67 -0.01 0.00 -0.27 0.00 0.00 36.82 38.38 2k22 h ILE 65 CO 0.75 0.02 0.15 0.71 -1.05 0.00 0.00 178.15 178.73 2k22 h THR 66 N 0.11 0.62 -0.76 0.16 1.35 -1.85 -1.44 112.91 111.10 2k22 h THR 66 Ca 0.24 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.27 2k22 h THR 66 Cb 0.81 0.89 -0.11 0.00 -1.73 0.00 0.00 68.15 68.01 2k22 h THR 66 CO -0.03 0.00 0.24 -1.28 -0.25 0.00 0.00 175.52 174.20 2k22 h SER 67 N 0.00 0.12 0.00 5.36 0.87 -1.29 -3.40 113.55 115.20 2k22 h SER 67 Ca 0.07 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2k22 h SER 67 Cb 0.37 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2k22 h SER 67 CO -0.00 -0.00 0.00 1.15 -0.53 0.00 0.00 176.83 177.45 2k22 n MET 68 N -5.11 0.00 -4.97 2.24 -0.00 -0.84 -5.09 117.12 103.36 2k22 n MET 68 Ca 0.15 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.57 2k22 n MET 68 Cb 0.48 0.00 -0.17 0.00 -0.00 0.00 0.00 33.22 33.53 2k22 n MET 68 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2k22 s LYS 69 N -0.48 2.34 0.00 3.17 1.02 -0.60 -5.06 119.74 120.12 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 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 2k22 s LYS 69 CO 0.00 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 2k22 n GLY 70 N 3.44 -2.00 0.16 -3.33 0.00 -1.23 -3.05 105.19 99.18 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 -1.95 -2.93 115.31 117.27 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 -2.57 0.00 -4.71 1.25 9.92 -1.26 -2.85 116.55 116.33 2k22 n ASP 72 Ca 0.04 0.50 -0.42 0.00 -0.53 0.00 0.00 54.79 54.37 2k22 n ASP 72 Cb 0.40 -0.50 -0.03 0.00 -0.64 0.00 0.00 41.12 40.35 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 -3.00 2.30 0.81 -3.53 2.01 -1.11 -4.87 115.64 108.25 2k22 s THR 73 Ca 0.11 0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.10 2k22 s THR 73 Cb 0.15 -3.07 0.08 0.00 0.01 0.00 0.00 72.50 69.66 2k22 s THR 73 CO 0.42 0.01 1.16 -1.83 -0.69 0.00 0.00 174.62 173.68 2k22 s GLU 74 N 1.68 2.01 -0.14 4.92 -1.05 -1.26 -2.30 118.70 122.56 2k22 s GLU 74 Ca 0.76 0.19 -0.08 0.00 -0.15 0.00 0.00 54.97 55.68 2k22 s GLU 74 Cb -0.47 -1.95 0.05 0.00 -0.44 0.00 0.00 34.13 31.32 2k22 s GLU 74 CO 0.33 -1.58 0.34 0.96 0.95 0.00 0.00 175.26 176.26 2k22 s ILE 75 N -3.51 -0.03 0.42 1.83 -4.36 -0.78 -4.80 121.20 109.97 2k22 s ILE 75 Ca 0.62 0.10 0.08 0.00 -0.26 0.00 0.00 60.65 61.19 2k22 s ILE 75 Cb -0.11 -0.51 0.01 0.00 1.25 0.00 0.00 42.46 43.10 2k22 s ILE 75 CO 0.50 0.04 0.57 -1.59 0.24 0.00 0.00 174.94 174.70 2k22 s LYS 76 N 1.19 2.81 0.56 0.37 -2.85 -1.26 -4.45 119.74 116.10 2k22 s LYS 76 Ca -0.08 -1.26 0.26 0.00 -1.00 0.00 0.00 55.97 53.89 2k22 s LYS 76 Cb -0.08 -2.74 1.49 0.00 -2.06 0.00 0.00 37.83 34.44 2k22 s LYS 76 CO -0.09 -0.28 2.03 0.38 0.10 0.00 0.00 175.35 177.49 2k22 h ASP 77 N 0.65 0.00 1.39 0.03 2.03 -2.01 0.24 116.42 118.75 2k22 h ASP 77 Ca -0.40 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.79 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 0.46 0.00 -0.55 -0.78 -1.03 0.00 0.00 179.24 177.33 2k22 h ASP 78 N 0.00 0.00 -3.01 4.15 3.58 -1.94 -3.41 116.42 115.78 2k22 h ASP 78 Ca 0.17 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 57.03 2k22 h ASP 78 Cb 0.78 0.00 0.16 0.00 1.72 0.00 0.00 39.33 41.98 2k22 h ASP 78 CO -0.00 0.55 -0.16 -0.90 -2.88 0.00 0.00 179.24 175.85 2k22 n ASP 79 N -3.26 -0.12 -3.71 2.28 5.75 0.86 -4.98 116.55 113.36 2k22 n ASP 79 Ca 0.02 0.85 -0.13 0.00 -0.01 0.00 0.00 54.79 55.51 2k22 n ASP 79 Cb 0.74 -1.25 -0.13 0.00 -1.03 0.00 0.00 41.12 39.45 2k22 n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2k22 s LYS 80 N -2.13 0.18 -0.11 0.11 1.02 -1.26 -3.82 119.74 113.72 2k22 s LYS 80 Ca 0.68 0.57 -0.04 0.00 0.02 0.00 0.00 55.97 57.20 2k22 s LYS 80 Cb -0.49 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 36.67 2k22 s LYS 80 CO 0.54 -0.20 0.05 0.42 -0.92 0.00 0.00 175.35 175.24 2k22 s ILE 81 N 1.56 4.74 -0.02 2.17 1.09 0.12 -0.13 121.20 130.74 2k22 s ILE 81 Ca -0.06 -0.08 0.00 0.00 -1.10 0.00 0.00 60.65 59.41 2k22 s ILE 81 Cb -0.11 -3.05 0.02 0.00 -1.06 0.00 0.00 42.46 38.26 2k22 s ILE 81 CO -0.08 0.58 0.00 -1.81 -0.10 0.00 0.00 174.94 173.53 2k22 s ASP 82 N -0.68 0.26 -0.16 3.58 1.01 -1.00 -1.40 116.67 118.28 2k22 s ASP 82 Ca 0.12 -0.01 -0.07 0.00 0.71 0.00 0.00 52.55 53.29 2k22 s ASP 82 Cb -0.12 -0.12 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 2k22 s ASP 82 CO 0.02 -0.07 0.09 -0.76 0.21 0.00 0.00 175.17 174.67 2k22 s LEU 83 N 0.69 4.02 0.07 1.23 1.43 -1.09 -1.79 118.68 123.24 2k22 s LEU 83 Ca -0.06 0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.34 2k22 s LEU 83 Cb -0.09 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 2k22 s LEU 83 CO -0.02 0.25 -0.23 -0.36 0.23 0.00 0.00 176.35 176.23 2k22 s PHE 84 N -0.10 2.01 0.79 0.29 0.08 0.11 -4.02 117.98 117.14 2k22 s PHE 84 Ca 0.08 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.63 2k22 s PHE 84 Cb -0.12 -1.15 0.07 0.00 -0.57 0.00 0.00 43.02 41.24 2k22 s PHE 84 CO 0.01 0.17 1.09 -1.25 -0.10 0.00 0.00 175.22 175.14 2k22 s PRO 85 N -1.53 2.14 0.52 0.24 0.04 -1.26 -1.68 135.00 133.47 2k22 s PRO 85 Ca 0.09 1.12 -0.20 0.00 0.04 0.00 0.00 61.00 62.05 2k22 s PRO 85 Cb -0.10 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 2k22 s PRO 85 CO 0.03 -1.71 1.14 -1.25 0.04 0.00 0.00 177.00 175.25 2k22 s PRO 86 N -4.91 3.46 0.47 0.56 0.04 -1.24 -4.51 135.00 128.86 2k22 s PRO 86 Ca 0.61 1.65 0.20 0.00 0.04 0.00 0.00 61.00 63.50 2k22 s PRO 86 Cb -0.17 -2.11 1.19 0.00 0.04 0.00 0.00 34.50 33.45 2k22 s PRO 86 CO 0.56 -0.77 1.95 -0.39 0.04 0.00 0.00 177.00 178.39 2k22 h VAL 87 N 1.37 0.78 0.00 -0.36 -1.51 -1.96 -2.39 116.25 112.18 2k22 h VAL 87 Ca -0.50 -0.08 -0.00 0.00 -1.23 0.00 0.00 66.70 64.89 2k22 h VAL 87 Cb 1.26 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 2k22 h VAL 87 CO 0.58 0.04 -0.00 0.00 -1.23 0.00 0.00 177.57 176.96 2k22 h ALA 88 N 1.68 -0.01 -2.32 5.19 0.00 -1.92 -3.46 119.26 118.43 2k22 h ALA 88 Ca 0.32 -0.43 -0.52 0.00 0.00 0.00 0.00 54.91 54.27 2k22 h ALA 88 Cb 0.90 0.00 0.18 0.00 0.00 0.00 0.00 17.79 18.87 2k22 h ALA 88 CO -0.07 -0.03 0.26 0.20 0.00 0.00 0.00 179.25 179.61 2k22 s GLY 89 N -4.06 1.74 0.00 0.00 0.00 -0.90 -5.22 107.32 98.87 2k22 s GLY 89 Ca -0.17 0.55 0.25 0.00 0.00 0.00 0.00 44.72 45.35 2k22 s GLY 89 CO 0.63 0.95 1.39 0.61 0.00 0.00 0.00 173.10 176.68