#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k21 n ILE 2 N 0.00 0.04 -0.06 1.12 2.08 -1.26 -0.53 119.36 120.74 2k21 n ILE 2 Ca 0.00 -0.11 -0.05 0.00 0.56 0.00 0.00 62.75 63.15 2k21 n ILE 2 Cb 0.00 -0.09 -0.12 0.00 -0.75 0.00 0.00 39.64 38.68 2k21 n ILE 2 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2k21 n LEU 3 N -0.48 0.00 -0.04 1.39 7.99 -1.26 -4.43 117.00 120.17 2k21 n LEU 3 Ca 0.19 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.23 2k21 n LEU 3 Cb 0.18 0.30 0.07 0.00 -0.11 0.00 0.00 43.42 43.86 2k21 n LEU 3 CO 0.14 0.30 0.53 -0.24 -1.51 0.00 0.00 177.39 176.62 2k21 n SER 4 N -2.46 2.13 -0.22 -1.43 2.88 -1.19 -4.76 113.62 108.58 2k21 n SER 4 Ca -0.20 -2.52 -0.06 0.00 -1.33 0.00 0.00 58.87 54.75 2k21 n SER 4 Cb 0.88 -0.21 0.04 0.00 -0.75 0.00 0.00 64.21 64.17 2k21 n SER 4 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2k21 h ASN 5 N 0.00 0.76 -0.72 -3.46 -1.24 -1.02 0.71 115.58 110.60 2k21 h ASN 5 Ca 0.00 -0.08 0.05 0.00 0.71 0.00 0.00 56.30 56.98 2k21 h ASN 5 Cb 0.76 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.57 2k21 h ASN 5 CO 0.00 0.62 0.47 0.00 -1.29 0.00 0.00 177.43 177.23 2k21 h THR 6 N 0.83 1.05 0.00 -3.57 1.03 -1.86 -1.18 112.91 109.21 2k21 h THR 6 Ca 0.22 -0.27 -0.03 0.00 -0.01 0.00 0.00 66.41 66.32 2k21 h THR 6 Cb 0.02 0.19 -0.00 0.00 -1.07 0.00 0.00 68.15 67.28 2k21 h THR 6 CO -0.04 0.15 -0.58 0.71 -0.01 0.00 0.00 175.52 175.75 2k21 h THR 7 N 0.80 0.14 0.00 0.00 1.35 -1.82 -3.36 112.91 110.02 2k21 h THR 7 Ca 0.30 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 2k21 h THR 7 Cb 0.18 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2k21 h THR 7 CO -0.10 0.08 -0.18 0.00 -0.25 0.00 0.00 175.52 175.08 2k21 n ALA 8 N -2.17 2.52 0.05 6.62 0.00 0.21 -3.18 120.51 124.55 2k21 n ALA 8 Ca 0.01 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.47 2k21 n ALA 8 Cb 0.59 -1.38 0.59 0.00 0.00 0.00 0.00 19.45 19.25 2k21 n ALA 8 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2k21 h VAL 9 N 0.00 0.89 0.00 0.00 3.04 -1.38 -3.46 116.25 115.34 2k21 h VAL 9 Ca 0.00 -0.06 -0.41 0.00 -1.01 0.00 0.00 66.70 65.21 2k21 h VAL 9 Cb 0.68 0.70 -0.07 0.00 -2.01 0.00 0.00 31.29 30.59 2k21 h VAL 9 CO 0.00 0.03 1.42 0.35 -1.01 0.00 0.00 177.57 178.36 2k21 n THR 10 N -4.46 0.00 0.25 3.17 -2.24 -1.19 -4.77 114.28 105.04 2k21 n THR 10 Ca 0.06 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.99 2k21 n THR 10 Cb 0.34 -0.41 0.84 0.00 -2.10 0.00 0.00 70.33 69.00 2k21 n THR 10 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2k21 h PRO 11 N 9.66 0.00 -0.08 -0.78 0.11 -1.94 -0.75 132.00 138.22 2k21 h PRO 11 Ca -0.04 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 2k21 h PRO 11 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2k21 h PRO 11 CO 1.12 0.00 -0.23 0.74 -0.21 0.00 0.00 178.00 179.42 2k21 h PHE 12 N 0.00 0.14 0.00 0.65 0.04 -1.98 -3.10 116.94 112.69 2k21 h PHE 12 Ca 0.00 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 2k21 h PHE 12 Cb 0.15 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 2k21 h PHE 12 CO 0.00 0.35 -0.02 1.25 -0.60 0.00 0.00 178.31 179.29 2k21 h LEU 13 N 0.12 0.00 -0.42 1.54 5.85 -1.47 -1.13 115.31 119.80 2k21 h LEU 13 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2k21 h LEU 13 Cb 0.47 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2k21 h LEU 13 CO 0.03 0.02 0.26 0.74 -0.34 0.00 0.00 178.44 179.16 2k21 h THR 14 N 0.00 1.12 -0.06 1.05 2.02 -1.70 0.77 112.91 116.11 2k21 h THR 14 Ca -0.00 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 2k21 h THR 14 Cb 0.30 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2k21 h THR 14 CO 0.00 0.12 -0.19 0.11 0.37 0.00 0.00 175.52 175.93 2k21 h LYS 15 N 0.56 0.23 -0.20 6.66 1.79 -1.40 -0.96 116.57 123.25 2k21 h LYS 15 Ca 0.15 -0.17 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 2k21 h LYS 15 Cb -0.03 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2k21 h LYS 15 CO -0.03 0.80 -0.11 -0.07 -1.08 0.00 0.00 179.45 178.95 2k21 h LEU 16 N -0.29 0.30 0.07 2.94 -0.00 -1.25 0.60 115.31 117.69 2k21 h LEU 16 Ca -0.01 -0.06 -0.26 0.00 -0.00 0.00 0.00 57.88 57.55 2k21 h LEU 16 Cb 0.82 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.38 2k21 h LEU 16 CO 0.04 0.45 -1.28 -0.25 -0.00 0.00 0.00 178.44 177.40 2k21 h TRP 17 N 0.30 0.26 -0.32 1.13 7.01 -0.80 0.31 115.95 123.85 2k21 h TRP 17 Ca 0.06 -0.19 -0.13 0.00 2.11 0.00 0.00 58.89 60.74 2k21 h TRP 17 Cb 0.39 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 2k21 h TRP 17 CO 0.01 1.18 -0.31 0.37 -2.79 0.00 0.00 178.44 176.90 2k21 h GLN 18 N 0.04 0.77 0.00 2.65 5.75 -0.78 -3.22 115.11 120.33 2k21 h GLN 18 Ca -0.14 -0.40 -0.09 0.00 -0.15 0.00 0.00 58.65 57.86 2k21 h GLN 18 Cb 1.92 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.47 2k21 h GLN 18 CO 0.15 1.03 -0.45 0.93 -2.65 0.00 0.00 178.83 177.85 2k21 h GLU 19 N 0.54 0.00 -0.41 1.69 5.08 0.50 -1.61 114.58 120.37 2k21 h GLU 19 Ca 0.05 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 2k21 h GLU 19 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2k21 h GLU 19 CO 0.08 0.45 -0.23 1.15 -1.00 0.00 0.00 179.01 179.45 2k21 h THR 20 N 0.00 1.27 0.21 1.13 2.02 -0.42 0.13 112.91 117.24 2k21 h THR 20 Ca -0.00 -1.37 -0.32 0.00 0.77 0.00 0.00 66.41 65.49 2k21 h THR 20 Cb 0.88 1.20 0.02 0.00 -1.74 0.00 0.00 68.15 68.52 2k21 h THR 20 CO 0.06 0.46 -1.47 0.58 0.37 0.00 0.00 175.52 175.52 2k21 h VAL 21 N 0.73 1.28 0.16 3.16 2.07 -1.48 -2.10 116.25 120.06 2k21 h VAL 21 Ca 0.10 -2.77 -0.24 0.00 0.82 0.00 0.00 66.70 64.61 2k21 h VAL 21 Cb 0.77 2.96 0.03 0.00 -1.52 0.00 0.00 31.29 33.52 2k21 h VAL 21 CO 0.06 0.84 -1.02 -0.61 0.02 0.00 0.00 177.57 176.86 2k21 h GLN 22 N 0.12 0.41 0.10 1.57 4.15 -1.17 -3.35 115.11 116.94 2k21 h GLN 22 Ca -0.24 -0.65 -0.36 0.00 0.77 0.00 0.00 58.65 58.17 2k21 h GLN 22 Cb 2.10 0.24 -0.02 0.00 0.21 0.00 0.00 27.48 30.01 2k21 h GLN 22 CO 0.24 1.30 -1.98 1.04 -1.93 0.00 0.00 178.83 177.50 2k21 n GLN 23 N -3.99 0.73 0.00 1.69 6.02 0.45 -5.02 117.38 117.25 2k21 n GLN 23 Ca -0.14 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2k21 n GLN 23 Cb 0.90 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.47 2k21 n GLN 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k21 n GLY 24 N 1.96 1.11 4.15 1.08 0.00 -0.81 -4.67 105.19 107.99 2k21 n GLY 24 Ca -0.33 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 2k21 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k21 n GLY 25 N -0.34 -0.43 0.00 -0.02 0.00 -1.07 -4.76 105.19 98.58 2k21 n GLY 25 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.23 2k21 n GLY 25 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k21 n ASN 26 N -2.72 0.00 -0.27 1.61 0.23 -1.26 -2.66 115.26 110.18 2k21 n ASN 26 Ca 0.02 0.24 -0.02 0.00 -0.53 0.00 0.00 54.58 54.30 2k21 n ASN 26 Cb 0.52 -0.36 0.10 0.00 -2.08 0.00 0.00 39.78 37.95 2k21 n ASN 26 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 2k21 h MET 27 N 0.00 0.88 -0.08 -3.83 2.86 -1.98 -2.92 114.93 109.86 2k21 h MET 27 Ca 0.00 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.43 2k21 h MET 27 Cb 0.16 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 31.63 2k21 h MET 27 CO 0.00 0.58 -0.57 0.66 1.06 0.00 0.00 176.91 178.65 2k21 h SER 28 N 0.91 0.63 0.00 1.22 4.64 -1.92 -3.48 113.55 115.55 2k21 h SER 28 Ca 0.32 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2k21 h SER 28 Cb 0.07 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2k21 h SER 28 CO -0.13 1.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.65 2k21 n GLY 29 N 0.80 0.22 0.62 -0.77 0.00 -1.10 -5.07 105.19 99.89 2k21 n GLY 29 Ca -0.09 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.72 2k21 n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k21 n LEU 30 N 0.00 2.26 0.26 0.99 7.99 -1.26 -4.41 117.00 122.82 2k21 n LEU 30 Ca 0.00 -0.88 0.16 0.00 -0.01 0.00 0.00 56.01 55.28 2k21 n LEU 30 Cb 0.00 0.00 0.63 0.00 -0.11 0.00 0.00 43.42 43.94 2k21 n LEU 30 CO 0.00 0.40 0.97 0.00 -1.51 0.00 0.00 177.39 177.25 2k21 h ALA 31 N 3.65 1.00 0.20 -1.18 0.00 -1.88 -3.29 119.26 117.75 2k21 h ALA 31 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 2k21 h ALA 31 Cb 0.75 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.55 2k21 h ALA 31 CO 0.00 0.00 -1.65 0.00 0.00 0.00 0.00 179.25 177.60 2k21 h ARG 32 N 0.00 0.42 -6.92 0.00 3.08 -1.96 -3.46 114.38 105.54 2k21 h ARG 32 Ca 0.00 -0.71 -0.51 0.00 0.07 0.00 0.00 59.98 58.83 2k21 h ARG 32 Cb 0.53 0.26 0.06 0.00 0.08 0.00 0.00 29.97 30.90 2k21 h ARG 32 CO 0.00 1.34 0.54 0.50 -1.07 0.00 0.00 179.97 181.28 2k21 s ARG 33 N -2.57 4.13 0.25 0.04 6.06 -1.24 -5.06 118.95 120.56 2k21 s ARG 33 Ca -0.15 1.94 -0.30 0.00 -2.50 0.00 0.00 55.73 54.73 2k21 s ARG 33 Cb 0.05 -2.79 -0.09 0.00 0.06 0.00 0.00 34.95 32.18 2k21 s ARG 33 CO 0.87 -0.28 1.09 -1.12 -2.50 0.00 0.00 175.30 173.36 2k21 s SER 34 N -0.96 7.29 0.27 -2.12 0.01 -1.26 -4.96 113.70 111.97 2k21 s SER 34 Ca 0.55 2.21 0.22 0.00 1.31 0.00 0.00 55.95 60.23 2k21 s SER 34 Cb -0.33 -2.62 1.02 0.00 0.21 0.00 0.00 66.02 64.30 2k21 s SER 34 CO 0.42 -0.15 1.67 -0.81 0.41 0.00 0.00 173.24 174.78 2k21 n PRO 35 N 1.54 0.17 -2.46 12.44 -0.04 -1.26 -4.75 135.00 140.64 2k21 n PRO 35 Ca -0.00 0.50 -0.41 0.00 -0.04 0.00 0.00 63.50 63.55 2k21 n PRO 35 Cb 0.45 -1.89 -0.04 0.00 -0.04 0.00 0.00 33.50 31.99 2k21 n PRO 35 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k21 s ARG 36 N -3.39 4.55 -0.01 0.54 0.52 -1.26 -4.97 118.95 114.92 2k21 s ARG 36 Ca 0.02 1.78 0.15 0.00 -0.52 0.00 0.00 55.73 57.15 2k21 s ARG 36 Cb 0.08 -3.27 -0.20 0.00 0.52 0.00 0.00 34.95 32.08 2k21 s ARG 36 CO 0.31 -0.00 0.42 0.43 0.02 0.00 0.00 175.30 176.47 2k21 n SER 37 N 2.49 1.32 0.00 0.23 7.64 -1.26 -5.09 113.62 118.95 2k21 n SER 37 Ca 0.04 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.64 2k21 n SER 37 Cb 0.46 1.45 0.00 0.00 -1.01 0.00 0.00 64.21 65.11 2k21 n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k21 n GLY 38 N 1.56 1.67 0.13 0.23 0.00 -1.26 -4.74 105.19 102.78 2k21 n GLY 38 Ca -0.01 -0.62 0.15 0.00 0.00 0.00 0.00 46.02 45.54 2k21 n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k21 n ASP 39 N 0.00 0.42 -2.90 1.61 9.92 -1.26 -4.91 116.55 119.43 2k21 n ASP 39 Ca 0.00 -0.97 -0.06 0.00 -0.53 0.00 0.00 54.79 53.23 2k21 n ASP 39 Cb 0.00 -0.04 0.03 0.00 -0.64 0.00 0.00 41.12 40.47 2k21 n ASP 39 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k21 n GLY 40 N 1.11 -0.97 0.05 0.44 0.00 -1.26 -4.93 105.19 99.63 2k21 n GLY 40 Ca 0.20 0.41 0.06 0.00 0.00 0.00 0.00 46.02 46.69 2k21 n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k21 n LYS 41 N -2.31 0.05 0.17 1.61 5.02 -1.26 -2.21 118.16 119.23 2k21 n LYS 41 Ca -0.03 0.43 0.19 0.00 -2.02 0.00 0.00 58.31 56.88 2k21 n LYS 41 Cb 0.55 -1.63 0.78 0.00 -0.02 0.00 0.00 35.03 34.71 2k21 n LYS 41 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2k21 h LEU 42 N 0.00 0.00 -1.47 -0.35 6.46 -1.95 -1.52 115.31 116.49 2k21 h LEU 42 Ca 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2k21 h LEU 42 Cb 0.13 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 2k21 h LEU 42 CO 0.00 0.00 -0.19 -0.33 -0.62 0.00 0.00 178.44 177.30 2k21 h GLU 43 N 0.00 0.00 0.00 1.25 4.39 -1.81 -2.37 114.58 116.04 2k21 h GLU 43 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2k21 h GLU 43 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 2k21 h GLU 43 CO -0.00 0.19 0.00 0.00 -1.16 0.00 0.00 179.01 178.03 2k21 n ALA 44 N -2.25 2.35 -1.01 3.43 0.00 -0.57 -4.98 120.51 117.48 2k21 n ALA 44 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k21 n ALA 44 Cb 0.35 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2k21 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k21 n LEU 45 N -0.85 -3.57 0.04 0.00 4.77 -0.89 -4.51 117.00 111.99 2k21 n LEU 45 Ca 0.13 1.82 -0.07 0.00 -0.03 0.00 0.00 56.01 57.86 2k21 n LEU 45 Cb 0.06 -1.34 0.09 0.00 -2.33 0.00 0.00 43.42 39.90 2k21 n LEU 45 CO 0.10 -0.15 0.47 0.10 -1.33 0.00 0.00 177.39 176.58 2k21 h TYR 46 N 1.46 0.51 0.18 -1.77 -0.00 -1.90 -3.26 116.97 112.19 2k21 h TYR 46 Ca 0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 58.73 58.53 2k21 h TYR 46 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 36.73 36.64 2k21 h TYR 46 CO 0.00 0.89 -0.08 -0.24 -0.00 0.00 0.00 178.16 178.72 2k21 h VAL 47 N 0.30 0.38 -0.57 -0.90 3.04 -1.97 -0.78 116.25 115.75 2k21 h VAL 47 Ca -0.00 -1.02 0.06 0.00 -1.01 0.00 0.00 66.70 64.73 2k21 h VAL 47 Cb 1.10 0.67 -0.03 0.00 -2.01 0.00 0.00 31.29 31.02 2k21 h VAL 47 CO 0.10 0.11 0.38 0.25 -1.01 0.00 0.00 177.57 177.40 2k21 h LEU 48 N -1.01 0.48 -0.21 3.16 5.85 -1.87 -2.40 115.31 119.31 2k21 h LEU 48 Ca -0.02 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.48 2k21 h LEU 48 Cb 0.36 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2k21 h LEU 48 CO 0.04 0.31 -0.92 -0.03 -0.34 0.00 0.00 178.44 177.50 2k21 h MET 49 N 0.55 0.32 -0.55 1.25 4.05 -1.59 -3.15 114.93 115.81 2k21 h MET 49 Ca 0.25 -0.35 0.03 0.00 -0.28 0.00 0.00 59.70 59.35 2k21 h MET 49 Cb 0.28 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.14 2k21 h MET 49 CO -0.07 1.04 0.32 0.28 0.23 0.00 0.00 176.91 178.71 2k21 h VAL 50 N 0.18 1.03 0.20 -5.77 2.07 -0.72 0.17 116.25 113.40 2k21 h VAL 50 Ca -0.07 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2k21 h VAL 50 Cb 1.55 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2k21 h VAL 50 CO 0.15 0.11 -0.10 0.25 0.02 0.00 0.00 177.57 178.01 2k21 h LEU 51 N 0.63 -0.23 -0.94 2.57 5.85 -1.50 1.33 115.31 123.01 2k21 h LEU 51 Ca 0.23 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2k21 h LEU 51 Cb 0.06 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2k21 h LEU 51 CO -0.12 -0.06 0.58 1.23 -0.34 0.00 0.00 178.44 179.74 2k21 h GLY 52 N -0.40 1.36 1.06 3.75 0.00 -1.48 -2.73 103.07 104.63 2k21 h GLY 52 Ca -0.03 -0.55 -0.18 0.00 0.00 0.00 0.00 47.33 46.57 2k21 h GLY 52 CO 0.05 0.54 -0.61 -2.75 0.00 0.00 0.00 176.54 173.76 2k21 h PHE 53 N 1.30 0.95 -0.90 5.60 3.57 -0.49 -3.10 116.94 123.86 2k21 h PHE 53 Ca 0.34 -0.39 0.06 0.00 3.53 0.00 0.00 57.97 61.51 2k21 h PHE 53 Cb -0.08 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.45 2k21 h PHE 53 CO 0.00 1.20 0.58 0.35 -2.23 0.00 0.00 178.31 178.22 2k21 h PHE 54 N 0.42 1.04 -0.26 0.41 3.57 0.19 0.88 116.94 123.19 2k21 h PHE 54 Ca -0.03 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 2k21 h PHE 54 Cb 1.24 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2k21 h PHE 54 CO 0.09 0.56 -0.42 0.78 -2.23 0.00 0.00 178.31 177.09 2k21 h GLY 55 N 1.04 0.69 0.59 2.40 0.00 -1.43 0.24 103.07 106.59 2k21 h GLY 55 Ca 0.38 -0.71 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 2k21 h GLY 55 CO -0.14 0.64 -0.48 0.74 0.00 0.00 0.00 176.54 177.31 2k21 h PHE 56 N 0.52 0.43 -0.27 5.60 0.04 -1.27 -3.34 116.94 118.63 2k21 h PHE 56 Ca 0.04 -0.25 -0.08 0.00 2.80 0.00 0.00 57.97 60.48 2k21 h PHE 56 Cb 0.95 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 2k21 h PHE 56 CO 0.04 1.10 -0.17 0.35 -0.60 0.00 0.00 178.31 179.03 2k21 h PHE 57 N -0.36 0.52 -0.70 -0.55 3.57 0.89 -0.82 116.94 119.49 2k21 h PHE 57 Ca -0.07 -0.09 0.12 0.00 3.53 0.00 0.00 57.97 61.46 2k21 h PHE 57 Cb 1.25 -0.14 -0.08 0.00 2.79 0.00 0.00 35.95 39.77 2k21 h PHE 57 CO 0.18 0.62 0.29 1.15 -2.23 0.00 0.00 178.31 178.32 2k21 h THR 58 N 0.43 0.72 0.00 4.41 2.02 -0.69 -1.27 112.91 118.54 2k21 h THR 58 Ca 0.08 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 2k21 h THR 58 Cb 0.55 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2k21 h THR 58 CO 0.04 0.08 -0.39 0.25 0.37 0.00 0.00 175.52 175.87 2k21 h LEU 59 N 0.46 0.00 -2.01 2.58 5.85 -1.65 -3.31 115.31 117.23 2k21 h LEU 59 Ca 0.37 0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.23 2k21 h LEU 59 Cb 0.50 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2k21 h LEU 59 CO -0.35 0.39 0.37 1.23 -0.34 0.00 0.00 178.44 179.74 2k21 h GLY 60 N 3.10 0.00 0.53 3.75 0.00 0.08 0.42 103.07 110.95 2k21 h GLY 60 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2k21 h GLY 60 CO 0.05 0.00 -0.07 -2.22 0.00 0.00 0.00 176.54 174.30 2k21 h ILE 61 N 0.00 0.99 -0.74 2.60 5.03 -1.60 -1.08 117.51 122.70 2k21 h ILE 61 Ca 0.24 -0.93 -0.00 0.00 -0.12 0.00 0.00 64.86 64.04 2k21 h ILE 61 Cb 0.98 1.53 -0.04 0.00 -3.03 0.00 0.00 36.82 36.27 2k21 h ILE 61 CO -0.00 0.21 0.45 0.24 -0.68 0.00 0.00 178.15 178.37 2k21 h MET 62 N -0.68 1.00 -0.09 2.37 2.86 -1.27 -0.54 114.93 118.59 2k21 h MET 62 Ca -0.02 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.36 2k21 h MET 62 Cb 0.50 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 2k21 h MET 62 CO 0.03 0.70 -0.70 -0.07 1.06 0.00 0.00 176.91 177.93 2k21 h LEU 63 N 1.02 0.50 -0.07 1.22 3.38 -1.07 0.18 115.31 120.48 2k21 h LEU 63 Ca 0.27 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2k21 h LEU 63 Cb -0.05 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2k21 h LEU 63 CO -0.05 1.05 -0.01 -1.28 0.09 0.00 0.00 178.44 178.25 2k21 h SER 64 N 0.30 0.13 0.01 -0.43 0.87 -1.13 -3.04 113.55 110.26 2k21 h SER 64 Ca -0.03 -0.33 -0.16 0.00 -1.23 0.00 0.00 61.79 60.04 2k21 h SER 64 Cb 1.27 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2k21 h SER 64 CO 0.12 0.43 -0.54 0.22 -0.53 0.00 0.00 176.83 176.53 2k21 h TYR 65 N -0.18 0.70 0.34 2.24 3.20 -0.78 0.14 116.97 122.64 2k21 h TYR 65 Ca 0.02 -0.25 -0.00 0.00 3.14 0.00 0.00 58.73 61.64 2k21 h TYR 65 Cb 0.37 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2k21 h TYR 65 CO 0.04 0.98 -0.39 0.82 -1.64 0.00 0.00 178.16 177.97 2k21 h ILE 66 N 0.44 0.21 0.00 1.81 2.04 -0.78 -2.21 117.51 119.01 2k21 h ILE 66 Ca 0.01 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 2k21 h ILE 66 Cb 1.08 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2k21 h ILE 66 CO 0.10 0.00 -0.31 -0.09 0.00 0.00 0.00 178.15 177.86 2k21 h ARG 67 N -0.77 0.00 -0.08 2.37 1.12 -1.13 -2.50 114.38 113.38 2k21 h ARG 67 Ca -0.02 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 2k21 h ARG 67 Cb 0.71 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.66 2k21 h ARG 67 CO -0.09 0.31 0.02 0.77 -3.11 0.00 0.00 179.97 177.87 2k21 h SER 68 N 0.00 0.13 0.12 -3.80 0.02 -0.82 -1.61 113.55 107.59 2k21 h SER 68 Ca -0.00 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 2k21 h SER 68 Cb 0.81 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 2k21 h SER 68 CO 0.04 0.31 -0.09 0.11 -1.14 0.00 0.00 176.83 176.06 2k21 h LYS 69 N -0.07 0.00 0.11 3.45 1.79 -1.02 1.77 116.57 122.60 2k21 h LYS 69 Ca 0.03 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.21 2k21 h LYS 69 Cb 0.23 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2k21 h LYS 69 CO -0.00 0.09 -1.38 0.87 -1.08 0.00 0.00 179.45 177.96 2k21 h LYS 70 N 0.00 0.24 -0.02 3.15 1.79 -1.41 -3.39 116.57 116.93 2k21 h LYS 70 Ca -0.00 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2k21 h LYS 70 Cb 0.18 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2k21 h LYS 70 CO 0.01 1.14 0.00 -0.11 -1.08 0.00 0.00 179.45 179.41 2k21 n LEU 71 N -3.47 2.27 -0.19 2.94 7.94 -0.07 -4.75 117.00 121.67 2k21 n LEU 71 Ca -0.12 -2.63 -0.07 0.00 -1.11 0.00 0.00 56.01 52.09 2k21 n LEU 71 Cb 1.03 -0.26 0.09 0.00 0.53 0.00 0.00 43.42 44.81 2k21 n LEU 71 CO 0.52 0.63 0.89 -0.08 -1.11 0.00 0.00 177.39 178.24 2k21 h GLU 72 N 0.11 1.00 -5.88 1.96 4.57 0.24 -3.36 114.58 113.21 2k21 h GLU 72 Ca 0.00 -0.27 -0.48 0.00 -1.18 0.00 0.00 59.36 57.43 2k21 h GLU 72 Cb 0.81 -0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 29.21 2k21 h GLU 72 CO 0.01 0.94 1.29 -1.01 -1.18 0.00 0.00 179.01 179.06 2k21 s HIS 73 N -5.12 2.26 -0.67 0.92 3.76 -1.26 -4.88 115.29 110.30 2k21 s HIS 73 Ca -0.11 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 54.50 2k21 s HIS 73 Cb 0.14 -4.42 0.17 0.00 1.11 0.00 0.00 32.58 29.58 2k21 s HIS 73 CO 0.84 -1.78 0.47 -1.12 -0.85 0.00 0.00 174.74 172.29 2k21 s SER 74 N 6.06 4.99 -1.22 1.40 0.01 -1.26 -5.07 113.70 118.62 2k21 s SER 74 Ca 0.57 -3.35 -0.14 0.00 1.31 0.00 0.00 55.95 54.34 2k21 s SER 74 Cb -0.02 -1.74 0.17 0.00 0.21 0.00 0.00 66.02 64.64 2k21 s SER 74 CO -0.02 -0.21 1.46 0.20 0.41 0.00 0.00 173.24 175.07 2k21 s ASN 75 N -0.37 7.07 -0.01 2.44 0.02 -1.26 -4.83 114.94 118.00 2k21 s ASN 75 Ca 0.21 -2.98 0.06 0.00 -1.02 0.00 0.00 52.86 49.13 2k21 s ASN 75 Cb -0.15 -2.41 -0.03 0.00 0.02 0.00 0.00 41.25 38.68 2k21 s ASN 75 CO -0.08 -0.76 -0.19 -1.81 0.02 0.00 0.00 177.10 174.28 2k21 s ASP 76 N 2.90 3.66 0.03 -1.22 1.11 -1.26 -5.05 116.67 116.84 2k21 s ASP 76 Ca 0.43 -0.36 0.16 0.00 0.18 0.00 0.00 52.55 52.96 2k21 s ASP 76 Cb -0.02 -0.61 0.67 0.00 1.07 0.00 0.00 42.92 44.03 2k21 s ASP 76 CO 0.01 0.30 1.50 -0.81 1.18 0.00 0.00 175.17 177.35 2k21 n PRO 77 N 2.06 0.02 0.01 8.23 -0.04 -1.26 -1.32 135.00 142.70 2k21 n PRO 77 Ca -0.17 0.27 -0.05 0.00 -0.04 0.00 0.00 63.50 63.51 2k21 n PRO 77 Cb 0.52 -1.55 -0.11 0.00 -0.04 0.00 0.00 33.50 32.32 2k21 n PRO 77 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2k21 h PHE 78 N 0.00 0.00 0.00 0.54 0.04 -1.97 -3.36 116.94 112.19 2k21 h PHE 78 Ca 0.00 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 2k21 h PHE 78 Cb 0.27 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.36 2k21 h PHE 78 CO 0.00 0.86 -2.23 0.09 -0.60 0.00 0.00 178.31 176.43 2k21 n ASN 79 N -3.04 0.85 -0.03 2.17 4.13 -0.80 -3.88 115.26 114.65 2k21 n ASN 79 Ca -0.12 -0.02 -0.14 0.00 1.68 0.00 0.00 54.58 55.98 2k21 n ASN 79 Cb 0.97 0.76 -0.09 0.00 -1.54 0.00 0.00 39.78 39.87 2k21 n ASN 79 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2k21 h VAL 80 N 0.00 1.43 0.07 2.41 2.07 -1.45 -3.35 116.25 117.44 2k21 h VAL 80 Ca -0.48 -1.55 -0.27 0.00 0.82 0.00 0.00 66.70 65.22 2k21 h VAL 80 Cb 2.05 2.30 0.02 0.00 -1.52 0.00 0.00 31.29 34.13 2k21 h VAL 80 CO 0.01 0.43 -1.13 0.22 0.02 0.00 0.00 177.57 177.13 2k21 h TYR 81 N -0.29 0.82 -3.84 1.57 3.20 -1.79 -3.44 116.97 113.19 2k21 h TYR 81 Ca -0.00 -0.49 -0.52 0.00 3.14 0.00 0.00 58.73 60.85 2k21 h TYR 81 Cb 0.79 -0.07 -0.31 0.00 1.54 0.00 0.00 36.73 38.67 2k21 h TYR 81 CO 0.13 1.34 -0.82 0.42 -1.64 0.00 0.00 178.16 177.58 2k21 s ILE 82 N -3.07 1.24 0.46 1.81 1.01 -1.25 -5.10 121.20 116.30 2k21 s ILE 82 Ca -0.07 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 2k21 s ILE 82 Cb 0.07 -1.08 -0.06 0.00 0.01 0.00 0.00 42.46 41.41 2k21 s ILE 82 CO 0.90 0.36 0.84 -1.61 0.00 0.00 0.00 174.94 175.44 2k21 s GLU 83 N 0.12 3.74 0.00 2.79 2.02 -1.25 -3.69 118.70 122.43 2k21 s GLU 83 Ca -0.04 0.53 0.13 0.00 0.02 0.00 0.00 54.97 55.61 2k21 s GLU 83 Cb -0.11 -2.31 0.66 0.00 0.10 0.00 0.00 34.13 32.47 2k21 s GLU 83 CO 0.02 -0.17 1.32 0.45 0.02 0.00 0.00 175.26 176.89 2k21 n SER 84 N -1.70 0.00 0.04 -0.19 2.88 -1.26 -2.11 113.62 111.27 2k21 n SER 84 Ca 0.03 0.06 -0.21 0.00 -1.33 0.00 0.00 58.87 57.42 2k21 n SER 84 Cb 0.54 -0.26 -0.14 0.00 -0.75 0.00 0.00 64.21 63.60 2k21 n SER 84 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2k21 h ASP 85 N 0.00 0.49 -0.17 -3.46 3.58 -2.01 -3.36 116.42 111.49 2k21 h ASP 85 Ca 0.00 -0.88 -0.09 0.00 0.42 0.00 0.00 57.03 56.48 2k21 h ASP 85 Cb 0.11 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 2k21 h ASP 85 CO 0.00 1.76 -0.26 0.00 -2.88 0.00 0.00 179.24 177.86 2k21 h ALA 86 N 0.16 0.26 -3.19 -0.78 0.00 -1.82 -3.50 119.26 110.40 2k21 h ALA 86 Ca -0.37 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2k21 h ALA 86 Cb 2.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2k21 h ALA 86 CO 0.13 0.24 -0.12 1.87 0.00 0.00 0.00 179.25 181.37 2k21 n TRP 87 N -4.41 -0.65 0.00 0.00 -0.00 -1.18 -5.07 117.44 106.13 2k21 n TRP 87 Ca -0.06 0.39 0.00 0.00 -0.00 0.00 0.00 57.50 57.83 2k21 n TRP 87 Cb 0.45 -0.91 0.00 0.00 -0.00 0.00 0.00 31.31 30.85 2k21 n TRP 87 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 2k21 n GLN 88 N 1.53 0.37 -4.43 5.87 6.02 -1.26 -5.12 117.38 120.36 2k21 n GLN 88 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 2k21 n GLN 88 Cb 0.00 -0.65 -0.10 0.00 1.02 0.00 0.00 30.24 30.51 2k21 n GLN 88 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2k21 s GLU 89 N -1.29 1.56 -0.07 -1.09 0.41 -1.26 -5.06 118.70 111.90 2k21 s GLU 89 Ca 0.00 -1.78 0.18 0.00 -0.41 0.00 0.00 54.97 52.96 2k21 s GLU 89 Cb 0.00 -1.25 0.62 0.00 -1.78 0.00 0.00 34.13 31.72 2k21 s GLU 89 CO 0.00 0.09 1.52 1.63 -0.49 0.00 0.00 175.26 178.00 2k21 n LYS 90 N -0.58 3.13 -2.99 1.61 5.02 -1.26 -4.93 118.16 118.16 2k21 n LYS 90 Ca -0.06 -2.48 -0.22 0.00 -2.02 0.00 0.00 58.31 53.53 2k21 n LYS 90 Cb 0.63 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 33.94 2k21 n LYS 90 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k21 n ASP 91 N 1.13 -5.69 0.01 4.39 8.00 -1.26 -4.85 116.55 118.29 2k21 n ASP 91 Ca 0.23 -0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.36 2k21 n ASP 91 Cb 0.72 -4.63 -0.06 0.00 -0.02 0.00 0.00 41.12 37.14 2k21 n ASP 91 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2k21 h LYS 92 N -1.14 0.04 -0.60 -1.24 1.57 -1.97 1.23 116.57 114.46 2k21 h LYS 92 Ca -0.51 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.34 2k21 h LYS 92 Cb 1.35 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.59 2k21 h LYS 92 CO 0.56 0.03 0.29 0.00 -0.57 0.00 0.00 179.45 179.76 2k21 h ALA 93 N 1.05 0.79 0.11 3.86 0.00 -2.01 -2.39 119.26 120.67 2k21 h ALA 93 Ca 0.03 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 2k21 h ALA 93 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2k21 h ALA 93 CO -0.04 -0.07 -1.20 -0.92 0.00 0.00 0.00 179.25 177.02 2k21 h TYR 94 N 0.55 0.46 -0.61 0.00 3.20 -1.20 -3.08 116.97 116.28 2k21 h TYR 94 Ca 0.28 -0.33 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 2k21 h TYR 94 Cb 0.23 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2k21 h TYR 94 CO -0.11 1.25 0.33 0.28 -1.64 0.00 0.00 178.16 178.27 2k21 h VAL 95 N 0.08 1.20 -0.10 1.81 2.07 0.14 0.56 116.25 121.99 2k21 h VAL 95 Ca -0.12 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2k21 h VAL 95 Cb 1.93 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2k21 h VAL 95 CO 0.20 0.22 0.04 1.56 0.02 0.00 0.00 177.57 179.60 2k21 h GLN 96 N 0.82 0.16 -0.16 1.57 4.20 -1.44 2.47 115.11 122.73 2k21 h GLN 96 Ca 0.21 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.75 2k21 h GLN 96 Cb 0.05 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2k21 h GLN 96 CO -0.03 0.29 -0.49 0.00 -0.67 0.00 0.00 178.83 177.93 2k21 h ALA 97 N 0.87 0.86 0.14 3.87 0.00 -1.35 -3.29 119.26 120.36 2k21 h ALA 97 Ca 0.03 -0.48 -0.29 0.00 0.00 0.00 0.00 54.91 54.17 2k21 h ALA 97 Cb 0.19 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.91 2k21 h ALA 97 CO -0.00 0.66 -1.27 -0.09 0.00 0.00 0.00 179.25 178.55 2k21 h ARG 98 N 0.35 0.49 -0.33 0.00 2.43 0.69 -3.18 114.38 114.82 2k21 h ARG 98 Ca 0.02 -0.72 0.07 0.00 -0.81 0.00 0.00 59.98 58.54 2k21 h ARG 98 Cb 0.98 0.25 -0.08 0.00 -0.42 0.00 0.00 29.97 30.70 2k21 h ARG 98 CO 0.09 1.32 -0.37 0.28 -1.51 0.00 0.00 179.97 179.78 2k21 h VAL 99 N 0.19 0.19 -0.53 0.20 2.07 0.42 2.13 116.25 120.91 2k21 h VAL 99 Ca -0.18 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2k21 h VAL 99 Cb 1.96 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2k21 h VAL 99 CO 0.23 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 177.93 2k21 h LEU 100 N -0.32 0.71 0.06 2.57 3.38 -1.64 1.78 115.31 121.85 2k21 h LEU 100 Ca 0.14 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2k21 h LEU 100 Cb 0.57 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.14 2k21 h LEU 100 CO -0.51 0.67 -0.43 -0.08 0.09 0.00 0.00 178.44 178.17 2k21 h GLU 101 N 0.76 0.19 -0.12 1.13 4.22 -1.18 -3.32 114.58 116.25 2k21 h GLU 101 Ca 0.18 -0.28 -0.14 0.00 0.08 0.00 0.00 59.36 59.19 2k21 h GLU 101 Cb 0.20 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2k21 h GLU 101 CO -0.01 1.09 -0.52 1.03 -2.18 0.00 0.00 179.01 178.41 2k21 h SER 102 N -0.56 0.38 -0.36 1.04 0.87 0.52 -3.14 113.55 112.30 2k21 h SER 102 Ca -0.07 -0.20 0.05 0.00 -1.23 0.00 0.00 61.79 60.34 2k21 h SER 102 Cb 1.29 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 63.09 2k21 h SER 102 CO 0.08 0.84 0.11 0.22 -0.53 0.00 0.00 176.83 177.55 2k21 h TYR 103 N 0.27 0.19 -0.19 2.24 3.20 0.25 0.87 116.97 123.80 2k21 h TYR 103 Ca 0.01 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 2k21 h TYR 103 Cb 1.01 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 2k21 h TYR 103 CO 0.03 0.07 -0.10 1.57 -1.64 0.00 0.00 178.16 178.09 2k21 h LYS 104 N 0.25 0.30 0.00 1.82 2.10 -1.66 -3.25 116.57 116.13 2k21 h LYS 104 Ca 0.17 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.73 2k21 h LYS 104 Cb 0.16 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2k21 h LYS 104 CO -0.19 0.42 -0.78 1.03 -2.00 0.00 0.00 179.45 177.93 2k21 h SER 105 N 0.29 0.00 1.00 7.07 0.87 -1.32 -3.34 113.55 118.12 2k21 h SER 105 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2k21 h SER 105 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2k21 h SER 105 CO 0.02 0.07 0.00 0.00 -0.53 0.00 0.00 176.83 176.39 2k21 h TYR 107 N 0.00 -0.04 -3.31 0.00 0.05 -1.68 -3.44 116.97 108.55 2k21 h TYR 107 Ca 0.00 -0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.21 2k21 h TYR 107 Cb 0.50 0.01 -0.05 0.00 1.01 0.00 0.00 36.73 38.21 2k21 h TYR 107 CO 0.00 0.24 0.01 0.14 -1.05 0.00 0.00 178.16 177.50 2k21 s VAL 108 N -5.09 4.79 -0.05 -2.88 -7.23 -1.10 -4.78 120.40 104.05 2k21 s VAL 108 Ca -0.15 1.30 0.01 0.00 -1.81 0.00 0.00 61.98 61.34 2k21 s VAL 108 Cb 0.03 -3.95 0.02 0.00 0.56 0.00 0.00 36.38 33.04 2k21 s VAL 108 CO 0.66 0.47 -0.07 0.68 -0.31 0.00 0.00 175.10 176.53 2k21 s VAL 109 N -0.59 0.70 -2.75 1.32 -7.23 -1.26 -4.93 120.40 105.66 2k21 s VAL 109 Ca 0.31 -0.22 0.25 0.00 -1.81 0.00 0.00 61.98 60.51 2k21 s VAL 109 Cb -0.19 -0.69 0.34 0.00 0.56 0.00 0.00 36.38 36.40 2k21 s VAL 109 CO 0.19 0.26 1.45 1.21 -0.31 0.00 0.00 175.10 177.90 2k21 n GLU 110 N 3.98 2.09 -4.10 4.82 2.13 -1.26 -4.90 120.64 123.39 2k21 n GLU 110 Ca -0.24 -1.59 -0.35 0.00 0.66 0.00 0.00 57.16 55.64 2k21 n GLU 110 Cb 0.51 -1.47 -0.14 0.00 0.27 0.00 0.00 31.44 30.62 2k21 n GLU 110 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2k21 s ASN 111 N -1.93 4.33 -0.30 4.31 -0.87 -1.26 -5.00 114.94 114.23 2k21 s ASN 111 Ca 0.32 -0.34 -0.29 0.00 -1.57 0.00 0.00 52.86 50.98 2k21 s ASN 111 Cb 0.20 -1.73 -0.02 0.00 -0.02 0.00 0.00 41.25 39.69 2k21 s ASN 111 CO 0.31 0.03 1.70 -2.28 -2.57 0.00 0.00 177.10 174.30 2k21 s HIS 112 N 1.16 1.95 0.50 2.20 5.65 -1.26 -5.04 115.29 120.46 2k21 s HIS 112 Ca 0.02 0.59 -0.17 0.00 0.25 0.00 0.00 55.06 55.74 2k21 s HIS 112 Cb -0.14 -4.10 -0.08 0.00 -1.18 0.00 0.00 32.58 27.07 2k21 s HIS 112 CO -0.01 -2.90 0.98 -0.51 -0.65 0.00 0.00 174.74 171.66 2k21 s LEU 113 N 6.16 3.68 0.26 8.88 1.02 -1.26 -4.78 118.68 132.64 2k21 s LEU 113 Ca 0.76 1.61 -0.04 0.00 0.02 0.00 0.00 54.13 56.48 2k21 s LEU 113 Cb -0.23 -4.52 0.33 0.00 0.02 0.00 0.00 46.19 41.80 2k21 s LEU 113 CO 0.32 -0.58 1.92 0.00 0.02 0.00 0.00 176.35 178.03 2k21 h ALA 114 N 1.08 1.34 -3.00 4.21 0.00 -1.96 -3.41 119.26 117.52 2k21 h ALA 114 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2k21 h ALA 114 Cb 1.19 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2k21 h ALA 114 CO 0.61 0.58 0.00 -0.89 0.00 0.00 0.00 179.25 179.55 2k21 n ILE 115 N -4.42 0.00 -3.55 0.00 5.41 -1.26 -4.99 119.36 110.55 2k21 n ILE 115 Ca 0.13 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.85 2k21 n ILE 115 Cb 0.06 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.94 2k21 n ILE 115 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2k21 s GLU 116 N 0.09 0.50 0.66 0.38 2.02 -1.26 -5.18 118.70 115.91 2k21 s GLU 116 Ca 0.00 1.22 -0.17 0.00 0.02 0.00 0.00 54.97 56.04 2k21 s GLU 116 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 34.13 34.84 2k21 s GLU 116 CO 0.00 -0.31 1.20 1.14 0.02 0.00 0.00 175.26 177.30 2k21 s GLN 117 N 2.80 2.56 0.65 1.61 0.00 -1.26 -5.06 119.66 120.97 2k21 s GLN 117 Ca 0.01 1.75 -0.15 0.00 -0.00 0.00 0.00 55.36 56.97 2k21 s GLN 117 Cb -0.13 -1.89 -0.00 0.00 0.00 0.00 0.00 33.01 30.99 2k21 s GLN 117 CO -0.18 -1.51 1.10 -1.25 0.00 0.00 0.00 175.29 173.46 2k21 s PRO 118 N -3.69 2.86 -0.19 9.60 0.04 -1.26 -4.97 135.00 137.38 2k21 s PRO 118 Ca 0.75 1.36 -0.28 0.00 0.04 0.00 0.00 61.00 62.87 2k21 s PRO 118 Cb -0.29 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 2k21 s PRO 118 CO 0.40 -1.20 2.19 0.54 0.04 0.00 0.00 177.00 178.96 2k21 s ASN 119 N -2.62 5.56 0.04 6.66 2.20 -1.26 -4.97 114.94 120.54 2k21 s ASN 119 Ca 0.66 1.97 -0.06 0.00 -0.94 0.00 0.00 52.86 54.49 2k21 s ASN 119 Cb -0.20 -2.51 -0.01 0.00 -2.00 0.00 0.00 41.25 36.53 2k21 s ASN 119 CO 0.41 -1.87 0.11 0.28 -2.94 0.00 0.00 177.10 173.10 2k21 s THR 120 N 7.90 0.13 -0.43 0.54 -1.32 -1.26 -5.08 115.64 116.12 2k21 s THR 120 Ca 0.99 -1.09 -0.15 0.00 -1.21 0.00 0.00 61.69 60.23 2k21 s THR 120 Cb -0.34 -0.93 0.04 0.00 -1.51 0.00 0.00 72.50 69.76 2k21 s THR 120 CO 0.36 -0.60 0.34 -2.28 -2.21 0.00 0.00 174.62 170.22 2k21 s HIS 121 N -2.68 3.24 0.10 9.09 2.46 -1.26 -5.12 115.29 121.12 2k21 s HIS 121 Ca -0.04 -0.71 0.02 0.00 0.47 0.00 0.00 55.06 54.80 2k21 s HIS 121 Cb -0.01 -2.81 -0.04 0.00 -0.13 0.00 0.00 32.58 29.60 2k21 s HIS 121 CO -0.05 -0.67 0.17 -0.48 -2.47 0.00 0.00 174.74 171.24 2k21 s LEU 122 N 1.67 4.09 0.56 8.88 2.34 -1.26 -4.98 118.68 129.98 2k21 s LEU 122 Ca 0.05 0.10 -0.19 0.00 0.06 0.00 0.00 54.13 54.14 2k21 s LEU 122 Cb -0.21 -2.71 -0.05 0.00 -0.56 0.00 0.00 46.19 42.66 2k21 s LEU 122 CO 0.09 0.13 1.17 -2.16 -1.06 0.00 0.00 176.35 174.52 2k21 s PRO 123 N -2.69 3.19 0.18 1.48 0.04 -1.26 -4.99 135.00 130.94 2k21 s PRO 123 Ca 0.32 1.72 -0.32 0.00 0.04 0.00 0.00 61.00 62.77 2k21 s PRO 123 Cb -0.12 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 2k21 s PRO 123 CO 0.25 -1.01 1.72 -2.00 0.04 0.00 0.00 177.00 176.01 2k21 s GLU 124 N -3.28 4.15 0.21 4.56 2.56 -1.26 -5.04 118.70 120.59 2k21 s GLU 124 Ca 0.75 2.55 0.11 0.00 0.00 0.00 0.00 54.97 58.38 2k21 s GLU 124 Cb -0.27 -3.23 -0.05 0.00 2.00 0.00 0.00 34.13 32.59 2k21 s GLU 124 CO 0.30 -0.75 -0.20 0.99 -0.56 0.00 0.00 175.26 175.04 2k21 s THR 125 N 1.58 2.54 0.48 -1.70 2.01 -1.26 -5.17 115.64 114.12 2k21 s THR 125 Ca 0.75 -2.06 -0.20 0.00 0.31 0.00 0.00 61.69 60.49 2k21 s THR 125 Cb -0.47 -2.25 -0.09 0.00 0.01 0.00 0.00 72.50 69.69 2k21 s THR 125 CO 0.33 -0.19 1.01 -0.54 -0.69 0.00 0.00 174.62 174.54 2k21 s LYS 126 N -2.91 3.90 0.46 4.92 3.01 -1.26 -5.04 119.74 122.83 2k21 s LYS 126 Ca 0.24 1.28 -0.24 0.00 -1.01 0.00 0.00 55.97 56.23 2k21 s LYS 126 Cb -0.07 -2.12 -0.07 0.00 -1.01 0.00 0.00 37.83 34.56 2k21 s LYS 126 CO 0.12 -0.33 1.33 -1.25 0.51 0.00 0.00 175.35 175.72 2k21 s PRO 127 N -3.28 3.63 0.14 -1.68 0.04 -1.26 -5.05 135.00 127.54 2k21 s PRO 127 Ca 0.65 2.18 -0.14 0.00 0.04 0.00 0.00 61.00 63.73 2k21 s PRO 127 Cb -0.14 -2.54 -0.07 0.00 0.04 0.00 0.00 34.50 31.80 2k21 s PRO 127 CO 0.19 -0.78 0.54 0.45 0.04 0.00 0.00 177.00 177.44 2k21 s SER 128 N -0.84 6.83 0.00 6.66 0.15 -1.26 -5.31 113.70 119.92 2k21 s SER 128 Ca 0.63 1.07 0.27 0.00 0.70 0.00 0.00 55.95 58.62 2k21 s SER 128 Cb -0.39 -2.28 1.59 0.00 -1.71 0.00 0.00 66.02 63.23 2k21 s SER 128 CO 0.48 0.12 1.94 -0.81 1.20 0.00 0.00 173.24 176.17