#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 0.02 0.67 3.17 -5.35 -1.26 -2.70 119.36 113.91 2k21 n ILE 2 Ca 0.00 -0.09 0.11 0.00 -0.27 0.00 0.00 62.75 62.50 2k21 n ILE 2 Cb 0.00 -0.16 -0.05 0.00 -1.74 0.00 0.00 39.64 37.69 2k21 n ILE 2 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k21 n LEU 3 N -0.58 0.65 0.21 7.28 -0.00 -1.26 -4.44 117.00 118.86 2k21 n LEU 3 Ca 0.20 -0.21 0.04 0.00 -0.00 0.00 0.00 56.01 56.05 2k21 n LEU 3 Cb 0.17 -0.05 0.45 0.00 -0.00 0.00 0.00 43.42 44.00 2k21 n LEU 3 CO 0.16 0.12 0.84 0.77 -0.00 0.00 0.00 177.39 179.28 2k21 h SER 4 N 0.00 0.00 -0.11 1.45 4.64 -1.94 -1.21 113.55 116.38 2k21 h SER 4 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2k21 h SER 4 Cb 0.67 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2k21 h SER 4 CO 0.00 0.25 -0.04 -1.13 -0.87 0.00 0.00 176.83 175.04 2k21 h ASN 5 N 0.00 0.22 0.33 4.97 -0.00 -1.80 -0.04 115.58 119.26 2k21 h ASN 5 Ca -0.00 -0.39 -0.11 0.00 -0.00 0.00 0.00 56.30 55.80 2k21 h ASN 5 Cb 0.45 -0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 38.69 2k21 h ASN 5 CO 0.03 0.56 -0.45 0.71 -0.00 0.00 0.00 177.43 178.28 2k21 h THR 6 N -0.12 1.33 0.00 -3.57 1.35 -1.67 -1.46 112.91 108.77 2k21 h THR 6 Ca 0.03 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 2k21 h THR 6 Cb 0.47 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2k21 h THR 6 CO 0.01 0.47 -0.63 0.71 -0.25 0.00 0.00 175.52 175.83 2k21 h THR 7 N 0.13 0.00 0.00 6.82 1.35 -1.21 -2.92 112.91 117.08 2k21 h THR 7 Ca 0.01 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 2k21 h THR 7 Cb 0.86 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2k21 h THR 7 CO 0.07 0.00 -0.46 0.00 -0.25 0.00 0.00 175.52 174.88 2k21 h ALA 8 N 2.10 0.71 0.00 6.62 0.00 0.04 -3.32 119.26 125.40 2k21 h ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k21 h ALA 8 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k21 h ALA 8 CO 0.00 0.00 -1.04 1.33 0.00 0.00 0.00 179.25 179.54 2k21 n VAL 9 N -2.25 0.00 -1.58 0.00 0.24 -0.86 -5.05 118.33 108.83 2k21 n VAL 9 Ca 0.04 -0.19 -0.39 0.00 -2.04 0.00 0.00 64.34 61.76 2k21 n VAL 9 Cb 0.45 0.76 0.03 0.00 -1.47 0.00 0.00 33.84 33.61 2k21 n VAL 9 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2k21 n THR 10 N -1.58 2.86 0.28 3.34 -2.24 -1.10 -4.91 114.28 110.92 2k21 n THR 10 Ca 0.01 -0.50 0.17 0.00 -2.27 0.00 0.00 64.05 61.46 2k21 n THR 10 Cb 0.31 -1.05 0.69 0.00 -2.10 0.00 0.00 70.33 68.18 2k21 n THR 10 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2k21 h PRO 11 N 0.88 0.00 0.00 -0.78 0.13 -1.95 -2.20 132.00 128.08 2k21 h PRO 11 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 2k21 h PRO 11 Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 2k21 h PRO 11 CO 0.53 0.02 -0.42 0.74 -0.23 0.00 0.00 178.00 178.64 2k21 h PHE 12 N 0.00 0.00 0.00 1.56 0.04 -1.97 -3.07 116.94 113.50 2k21 h PHE 12 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2k21 h PHE 12 Cb 0.51 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 2k21 h PHE 12 CO 0.00 0.42 -0.08 1.25 -0.60 0.00 0.00 178.31 179.30 2k21 h LEU 13 N 0.00 0.00 -0.31 1.54 5.85 -1.71 -2.64 115.31 118.03 2k21 h LEU 13 Ca -0.00 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2k21 h LEU 13 Cb 0.75 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 2k21 h LEU 13 CO 0.05 0.08 -0.04 0.74 -0.34 0.00 0.00 178.44 178.94 2k21 h THR 14 N 0.00 0.73 -0.11 1.05 2.02 -1.69 0.28 112.91 115.19 2k21 h THR 14 Ca -0.00 -0.02 -0.21 0.00 0.77 0.00 0.00 66.41 66.95 2k21 h THR 14 Cb 0.26 0.68 0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2k21 h THR 14 CO 0.01 0.01 -0.76 0.11 0.37 0.00 0.00 175.52 175.26 2k21 h LYS 15 N 0.05 0.71 -0.30 6.66 1.57 -1.70 -0.01 116.57 123.56 2k21 h LYS 15 Ca 0.15 -0.62 -0.09 0.00 -1.87 0.00 0.00 60.65 58.22 2k21 h LYS 15 Cb 0.22 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2k21 h LYS 15 CO -0.28 1.22 -0.16 1.25 -0.57 0.00 0.00 179.45 180.91 2k21 h LEU 16 N 0.41 0.66 -0.50 2.94 7.12 -1.24 0.82 115.31 125.51 2k21 h LEU 16 Ca -0.06 -0.41 -0.17 0.00 0.13 0.00 0.00 57.88 57.37 2k21 h LEU 16 Cb 1.40 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 41.34 2k21 h LEU 16 CO 0.16 0.93 -0.70 -0.25 -0.13 0.00 0.00 178.44 178.45 2k21 h TRP 17 N 0.39 0.37 -0.45 1.25 7.01 -0.41 -0.31 115.95 123.79 2k21 h TRP 17 Ca 0.07 -0.16 -0.05 0.00 2.11 0.00 0.00 58.89 60.85 2k21 h TRP 17 Cb 0.68 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.67 2k21 h TRP 17 CO 0.06 0.88 0.08 0.37 -2.79 0.00 0.00 178.44 177.04 2k21 h GLN 18 N 0.19 0.74 -0.24 2.65 4.15 -1.03 -2.90 115.11 118.66 2k21 h GLN 18 Ca -0.02 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.17 2k21 h GLN 18 Cb 1.25 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 2k21 h GLN 18 CO 0.11 0.76 -0.01 0.93 -1.93 0.00 0.00 178.83 178.69 2k21 h GLU 19 N 0.60 0.36 -0.16 1.69 5.08 -0.10 0.21 114.58 122.27 2k21 h GLU 19 Ca 0.14 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 2k21 h GLU 19 Cb 0.38 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2k21 h GLU 19 CO 0.01 0.40 -0.59 1.79 -1.00 0.00 0.00 179.01 179.62 2k21 h THR 20 N 0.35 1.33 0.18 1.13 1.35 -1.01 0.32 112.91 116.57 2k21 h THR 20 Ca 0.08 -1.87 -0.35 0.00 -0.55 0.00 0.00 66.41 63.73 2k21 h THR 20 Cb 0.26 1.85 0.01 0.00 -1.73 0.00 0.00 68.15 68.54 2k21 h THR 20 CO 0.01 0.57 -1.72 0.58 -0.25 0.00 0.00 175.52 174.72 2k21 h VAL 21 N 0.38 0.98 -0.02 6.82 2.07 -1.15 -2.96 116.25 122.37 2k21 h VAL 21 Ca -0.00 -2.55 -0.06 0.00 0.82 0.00 0.00 66.70 64.90 2k21 h VAL 21 Cb 1.13 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 2k21 h VAL 21 CO 0.11 0.85 -0.24 -0.61 0.02 0.00 0.00 177.57 177.70 2k21 h GLN 22 N 0.11 0.19 0.04 1.57 4.15 -0.61 -3.37 115.11 117.20 2k21 h GLN 22 Ca -0.33 -0.19 -0.33 0.00 0.77 0.00 0.00 58.65 58.57 2k21 h GLN 22 Cb 2.10 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 29.79 2k21 h GLN 22 CO 0.18 0.89 -1.91 0.94 -1.93 0.00 0.00 178.83 177.00 2k21 n GLN 23 N -4.51 0.68 0.00 1.69 7.27 0.10 -5.01 117.38 117.59 2k21 n GLN 23 Ca -0.09 0.25 0.00 0.00 0.07 0.00 0.00 57.00 57.23 2k21 n GLN 23 Cb 0.48 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 31.41 2k21 n GLN 23 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k21 n GLY 24 N 1.76 1.06 2.42 1.69 0.00 -1.14 -4.33 105.19 106.64 2k21 n GLY 24 Ca -0.25 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.59 -0.46 0.07 -0.02 0.00 -1.13 -4.87 105.19 98.20 2k21 n GLY 25 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2k21 n GLY 25 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k21 n ASN 26 N -1.86 0.69 0.18 1.61 3.02 -1.26 -2.73 115.26 114.92 2k21 n ASN 26 Ca -0.18 0.25 0.14 0.00 -0.03 0.00 0.00 54.58 54.75 2k21 n ASN 26 Cb 0.64 -0.15 0.50 0.00 -0.61 0.00 0.00 39.78 40.16 2k21 n ASN 26 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 2k21 h MET 27 N 0.00 0.00 -0.35 3.52 4.05 -1.91 -2.75 114.93 117.49 2k21 h MET 27 Ca 0.00 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 2k21 h MET 27 Cb 0.72 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 2k21 h MET 27 CO 0.00 0.00 0.01 1.03 0.23 0.00 0.00 176.91 178.18 2k21 h SER 28 N 0.00 0.51 0.00 1.39 0.87 -1.93 -3.47 113.55 110.92 2k21 h SER 28 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2k21 h SER 28 Cb 0.54 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2k21 h SER 28 CO 0.00 0.58 0.00 0.61 -0.53 0.00 0.00 176.83 177.49 2k21 n GLY 29 N -0.87 0.54 0.17 5.77 0.00 -1.05 -5.07 105.19 104.67 2k21 n GLY 29 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 2k21 n GLY 29 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k21 n LEU 30 N 0.00 1.23 0.30 0.99 7.94 -1.11 -4.18 117.00 122.16 2k21 n LEU 30 Ca 0.00 -0.60 0.20 0.00 -1.11 0.00 0.00 56.01 54.50 2k21 n LEU 30 Cb 0.00 0.00 1.06 0.00 0.53 0.00 0.00 43.42 45.01 2k21 n LEU 30 CO 0.00 0.26 1.10 0.00 -1.11 0.00 0.00 177.39 177.65 2k21 h ALA 31 N 2.84 1.02 0.00 1.96 0.00 -1.95 -3.09 119.26 120.04 2k21 h ALA 31 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2k21 h ALA 31 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k21 h ALA 31 CO 0.00 -0.02 -0.59 -0.09 0.00 0.00 0.00 179.25 178.55 2k21 h ARG 32 N 0.00 0.00 -7.02 0.00 2.43 -1.93 -3.47 114.38 104.39 2k21 h ARG 32 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 2k21 h ARG 32 Cb 0.04 0.00 0.08 0.00 -0.42 0.00 0.00 29.97 29.67 2k21 h ARG 32 CO 0.00 0.64 0.50 1.03 -1.51 0.00 0.00 179.97 180.63 2k21 s ARG 33 N -2.18 3.57 0.35 0.20 0.52 -1.17 -5.06 118.95 115.19 2k21 s ARG 33 Ca -0.19 1.83 -0.21 0.00 -0.52 0.00 0.00 55.73 56.64 2k21 s ARG 33 Cb 0.02 -2.31 -0.10 0.00 0.52 0.00 0.00 34.95 33.08 2k21 s ARG 33 CO 0.45 -0.72 0.88 -1.54 0.02 0.00 0.00 175.30 174.39 2k21 s SER 34 N -1.35 7.04 0.00 0.23 1.04 -1.26 -4.95 113.70 114.44 2k21 s SER 34 Ca 0.67 1.63 0.18 0.00 0.48 0.00 0.00 55.95 58.90 2k21 s SER 34 Cb -0.30 -2.51 0.90 0.00 0.10 0.00 0.00 66.02 64.21 2k21 s SER 34 CO 0.36 -0.20 1.55 -0.81 0.98 0.00 0.00 173.24 175.11 2k21 n PRO 35 N -0.08 0.24 -2.31 4.02 -0.04 -1.26 -4.78 135.00 130.79 2k21 n PRO 35 Ca 0.04 0.12 -0.43 0.00 -0.04 0.00 0.00 63.50 63.19 2k21 n PRO 35 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.61 4.12 -0.30 0.54 1.81 -1.26 -4.95 118.95 116.31 2k21 s ARG 36 Ca 0.16 1.70 -0.18 0.00 -1.72 0.00 0.00 55.73 55.69 2k21 s ARG 36 Cb 0.12 -3.86 0.17 0.00 -0.45 0.00 0.00 34.95 30.94 2k21 s ARG 36 CO 0.28 -0.86 1.23 -1.54 -0.68 0.00 0.00 175.30 173.73 2k21 s SER 37 N 2.62 -0.05 0.00 0.23 1.04 -1.26 -5.19 113.70 111.09 2k21 s SER 37 Ca 0.60 0.02 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2k21 s SER 37 Cb -0.23 1.04 0.00 0.00 0.10 0.00 0.00 66.02 66.92 2k21 s SER 37 CO 0.20 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2k21 n GLY 38 N 5.39 -1.57 2.70 7.32 0.00 -1.26 -4.74 105.19 113.04 2k21 n GLY 38 Ca -0.05 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.78 7.07 -0.74 1.61 8.00 -1.26 -4.68 116.55 124.78 2k21 n ASP 39 Ca 0.00 -3.71 0.00 0.00 0.71 0.00 0.00 54.79 51.79 2k21 n ASP 39 Cb 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 2k21 n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k21 n GLY 40 N -0.15 -1.32 0.22 0.44 0.00 -1.26 -4.91 105.19 98.20 2k21 n GLY 40 Ca 0.46 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2k21 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k21 h LYS 41 N 0.00 0.29 0.00 1.61 1.79 -1.85 -3.07 116.57 115.33 2k21 h LYS 41 Ca 0.00 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2k21 h LYS 41 Cb 0.00 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2k21 h LYS 41 CO 0.00 0.57 0.00 -0.07 -1.08 0.00 0.00 179.45 178.87 2k21 h LEU 42 N 0.25 0.00 -0.65 2.94 -0.00 -1.95 -3.22 115.31 112.68 2k21 h LEU 42 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2k21 h LEU 42 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 2k21 h LEU 42 CO 0.05 0.00 -0.19 1.21 -0.00 0.00 0.00 178.44 179.51 2k21 n GLU 43 N -2.71 1.09 0.00 1.13 4.07 -1.16 -3.53 120.64 119.52 2k21 n GLU 43 Ca 0.04 -0.65 0.06 0.00 -0.06 0.00 0.00 57.16 56.56 2k21 n GLU 43 Cb 0.43 -1.49 0.39 0.00 -0.06 0.00 0.00 31.44 30.71 2k21 n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k21 n ALA 44 N -0.39 2.55 -2.03 4.31 0.00 -1.19 -5.00 120.51 118.75 2k21 n ALA 44 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2k21 n ALA 44 Cb 0.36 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.71 -5.98 0.04 0.00 7.99 -1.23 -4.76 117.00 112.34 2k21 n LEU 45 Ca 0.10 3.15 -0.20 0.00 -0.01 0.00 0.00 56.01 59.04 2k21 n LEU 45 Cb 0.04 -3.09 -0.14 0.00 -0.11 0.00 0.00 43.42 40.12 2k21 n LEU 45 CO 0.07 -1.76 -0.09 0.22 -1.51 0.00 0.00 177.39 174.32 2k21 h TYR 46 N 4.18 0.51 0.16 -1.77 3.20 -1.89 -3.37 116.97 117.99 2k21 h TYR 46 Ca 0.00 -0.37 -0.01 0.00 3.14 0.00 0.00 58.73 61.49 2k21 h TYR 46 Cb 0.00 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2k21 h TYR 46 CO 0.00 1.38 -0.08 0.28 -1.64 0.00 0.00 178.16 178.10 2k21 h VAL 47 N -0.36 0.19 -0.92 1.81 2.07 -1.97 0.23 116.25 117.30 2k21 h VAL 47 Ca -0.19 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.42 2k21 h VAL 47 Cb 1.67 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 2k21 h VAL 47 CO 0.12 0.06 0.60 0.25 0.02 0.00 0.00 177.57 178.62 2k21 h LEU 48 N -1.04 1.00 -0.42 2.57 6.46 -1.96 -2.74 115.31 119.19 2k21 h LEU 48 Ca -0.02 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.67 2k21 h LEU 48 Cb 0.26 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 2k21 h LEU 48 CO 0.04 0.70 0.04 -0.03 -0.62 0.00 0.00 178.44 178.56 2k21 h MET 49 N 1.17 0.71 -0.65 1.25 4.05 -1.73 -3.13 114.93 116.60 2k21 h MET 49 Ca 0.36 -0.20 0.14 0.00 -0.28 0.00 0.00 59.70 59.71 2k21 h MET 49 Cb -0.01 -0.07 -0.10 0.00 -0.80 0.00 0.00 31.60 30.61 2k21 h MET 49 CO -0.10 0.76 0.07 0.28 0.23 0.00 0.00 176.91 178.15 2k21 h VAL 50 N 0.55 0.52 -0.12 -5.77 2.07 -0.66 0.73 116.25 113.57 2k21 h VAL 50 Ca 0.12 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2k21 h VAL 50 Cb 0.42 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2k21 h VAL 50 CO 0.01 0.03 -0.05 0.25 0.02 0.00 0.00 177.57 177.84 2k21 h LEU 51 N 0.18 -0.17 -0.47 2.57 5.85 -1.45 3.68 115.31 125.50 2k21 h LEU 51 Ca 0.35 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.96 2k21 h LEU 51 Cb 0.57 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2k21 h LEU 51 CO -0.51 -0.07 -0.37 1.23 -0.34 0.00 0.00 178.44 178.38 2k21 h GLY 52 N -0.04 0.93 1.34 3.75 0.00 -1.23 -2.47 103.07 105.34 2k21 h GLY 52 Ca 0.06 -0.93 -0.26 0.00 0.00 0.00 0.00 47.33 46.20 2k21 h GLY 52 CO -0.14 0.84 -1.05 -2.75 0.00 0.00 0.00 176.54 173.44 2k21 h PHE 53 N 0.70 0.89 -0.49 5.60 3.57 0.18 -2.46 116.94 124.93 2k21 h PHE 53 Ca 0.06 -0.50 0.07 0.00 3.53 0.00 0.00 57.97 61.14 2k21 h PHE 53 Cb 0.95 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.53 2k21 h PHE 53 CO 0.06 1.33 0.13 0.35 -2.23 0.00 0.00 178.31 177.95 2k21 h PHE 54 N 0.32 0.22 -0.67 0.41 3.57 0.69 0.42 116.94 121.90 2k21 h PHE 54 Ca -0.12 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.46 2k21 h PHE 54 Cb 1.70 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 40.36 2k21 h PHE 54 CO 0.09 0.04 0.37 0.78 -2.23 0.00 0.00 178.31 177.36 2k21 h GLY 55 N 0.28 0.98 0.79 2.40 0.00 -1.35 0.35 103.07 106.52 2k21 h GLY 55 Ca 0.24 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 2k21 h GLY 55 CO -0.28 0.15 -0.37 -2.75 0.00 0.00 0.00 176.54 173.29 2k21 h PHE 56 N 0.68 0.58 -0.02 5.60 3.57 -1.06 -3.22 116.94 123.07 2k21 h PHE 56 Ca 0.30 -0.24 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 2k21 h PHE 56 Cb 0.20 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2k21 h PHE 56 CO -0.08 0.98 -0.71 0.35 -2.23 0.00 0.00 178.31 176.62 2k21 h PHE 57 N 0.01 0.15 0.84 0.41 3.57 0.52 -1.28 116.94 121.15 2k21 h PHE 57 Ca -0.02 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 2k21 h PHE 57 Cb 0.99 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.72 2k21 h PHE 57 CO 0.11 0.78 -0.40 1.15 -2.23 0.00 0.00 178.31 177.72 2k21 h THR 58 N 0.07 0.00 0.00 4.41 2.02 -0.36 -2.39 112.91 116.66 2k21 h THR 58 Ca -0.01 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2k21 h THR 58 Cb 1.25 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2k21 h THR 58 CO 0.10 0.00 -0.06 0.17 0.37 0.00 0.00 175.52 176.10 2k21 h LEU 59 N -1.27 0.00 -1.96 2.58 8.10 -1.71 -3.23 115.31 117.83 2k21 h LEU 59 Ca -0.12 0.00 0.05 0.00 0.11 0.00 0.00 57.88 57.92 2k21 h LEU 59 Cb 0.86 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.07 2k21 h LEU 59 CO 0.19 0.06 0.14 1.23 -4.11 0.00 0.00 178.44 175.95 2k21 h GLY 60 N 0.31 0.07 0.86 0.17 0.00 -0.87 -1.48 103.07 102.13 2k21 h GLY 60 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 2k21 h GLY 60 CO 0.01 0.02 -0.19 -2.22 0.00 0.00 0.00 176.54 174.16 2k21 h ILE 61 N 0.06 0.62 -0.55 2.60 2.04 -1.45 -1.87 117.51 118.95 2k21 h ILE 61 Ca 0.09 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 2k21 h ILE 61 Cb 0.30 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2k21 h ILE 61 CO -0.01 0.05 0.06 0.24 0.00 0.00 0.00 178.15 178.49 2k21 h MET 62 N -0.66 0.90 -0.24 2.37 2.86 -1.47 -0.39 114.93 118.29 2k21 h MET 62 Ca -0.05 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.26 2k21 h MET 62 Cb 0.48 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2k21 h MET 62 CO 0.09 0.86 -0.28 -0.07 1.06 0.00 0.00 176.91 178.56 2k21 h LEU 63 N 0.84 0.48 -0.10 1.22 3.38 -1.49 0.11 115.31 119.76 2k21 h LEU 63 Ca 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k21 h LEU 63 Cb 0.42 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2k21 h LEU 63 CO 0.01 0.75 0.05 -1.28 0.09 0.00 0.00 178.44 178.06 2k21 h SER 64 N 0.41 0.13 -0.24 -0.43 0.87 -0.71 -2.78 113.55 110.81 2k21 h SER 64 Ca 0.06 -0.11 -0.16 0.00 -1.23 0.00 0.00 61.79 60.34 2k21 h SER 64 Cb 0.71 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2k21 h SER 64 CO 0.05 0.21 -0.49 0.22 -0.53 0.00 0.00 176.83 176.29 2k21 h TYR 65 N 0.05 0.96 0.27 2.24 3.20 -0.61 -1.37 116.97 121.71 2k21 h TYR 65 Ca 0.04 -0.35 0.01 0.00 3.14 0.00 0.00 58.73 61.56 2k21 h TYR 65 Cb 0.11 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 2k21 h TYR 65 CO -0.03 1.15 -0.37 0.82 -1.64 0.00 0.00 178.16 178.09 2k21 h ILE 66 N 0.50 0.24 0.00 1.81 2.04 -0.88 -1.31 117.51 119.91 2k21 h ILE 66 Ca 0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 2k21 h ILE 66 Cb 1.10 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2k21 h ILE 66 CO 0.11 0.00 -0.23 0.03 0.00 0.00 0.00 178.15 178.06 2k21 h ARG 67 N -0.70 0.00 -0.03 2.37 3.08 -1.25 0.34 114.38 118.19 2k21 h ARG 67 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 2k21 h ARG 67 Cb 0.66 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.73 2k21 h ARG 67 CO -0.13 0.23 -0.80 1.03 -1.07 0.00 0.00 179.97 179.23 2k21 h SER 68 N 0.00 0.75 -0.00 7.04 0.87 -1.24 -3.30 113.55 117.67 2k21 h SER 68 Ca -0.00 -0.72 -0.21 0.00 -1.23 0.00 0.00 61.79 59.62 2k21 h SER 68 Cb 0.60 -0.23 0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2k21 h SER 68 CO 0.03 1.37 -0.82 0.50 -0.53 0.00 0.00 176.83 177.38 2k21 h LYS 69 N 0.20 0.57 -1.43 2.24 3.64 -0.14 -3.31 116.57 118.34 2k21 h LYS 69 Ca -0.09 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 2k21 h LYS 69 Cb 1.47 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 2k21 h LYS 69 CO 0.16 1.22 0.00 1.17 -2.27 0.00 0.00 179.45 179.73 2k21 n LYS 70 N -4.03 0.47 0.00 1.90 4.81 0.11 -3.93 118.16 117.49 2k21 n LYS 70 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 2k21 n LYS 70 Cb 0.78 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 34.57 2k21 n LYS 70 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2k21 n LEU 71 N 0.72 0.46 0.00 3.14 0.00 -1.24 -3.37 117.00 116.70 2k21 n LEU 71 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 56.01 55.78 2k21 n LEU 71 Cb 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2k21 n LEU 71 CO 0.00 0.11 0.46 -0.62 0.00 0.00 0.00 177.39 177.34 2k21 n GLU 72 N 0.08 0.00 -1.00 1.96 -0.58 -1.25 -4.69 120.64 115.16 2k21 n GLU 72 Ca 0.00 0.37 -0.34 0.00 -0.42 0.00 0.00 57.16 56.77 2k21 n GLU 72 Cb 0.11 -1.55 0.10 0.00 -0.57 0.00 0.00 31.44 29.54 2k21 n GLU 72 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2k21 n HIS 73 N -1.36 -0.88 -1.77 -0.32 8.25 -1.22 -4.95 115.22 112.97 2k21 n HIS 73 Ca 0.00 0.30 -0.43 0.00 -0.26 0.00 0.00 57.72 57.33 2k21 n HIS 73 Cb 0.05 -1.87 -0.03 0.00 1.12 0.00 0.00 29.99 29.26 2k21 n HIS 73 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2k21 s SER 74 N -1.84 5.96 -0.09 0.41 1.04 -1.26 -4.99 113.70 112.93 2k21 s SER 74 Ca 0.62 1.98 0.01 0.00 0.48 0.00 0.00 55.95 59.04 2k21 s SER 74 Cb -0.27 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.35 2k21 s SER 74 CO 0.62 -1.55 -0.08 0.21 0.98 0.00 0.00 173.24 173.42 2k21 s ASN 75 N 6.19 1.85 0.51 7.02 2.47 -1.26 -5.16 114.94 126.55 2k21 s ASN 75 Ca 0.89 -0.27 -0.21 0.00 0.42 0.00 0.00 52.86 53.69 2k21 s ASN 75 Cb -0.33 -0.77 -0.06 0.00 -1.45 0.00 0.00 41.25 38.65 2k21 s ASN 75 CO 0.35 -0.06 1.19 -1.81 -3.72 0.00 0.00 177.10 173.06 2k21 s ASP 76 N 1.25 5.80 0.00 -4.21 1.11 -1.26 -4.94 116.67 114.41 2k21 s ASP 76 Ca -0.04 2.36 0.15 0.00 0.18 0.00 0.00 52.55 55.20 2k21 s ASP 76 Cb -0.14 -2.60 0.83 0.00 1.07 0.00 0.00 42.92 42.08 2k21 s ASP 76 CO -0.03 -1.18 1.35 -0.81 1.18 0.00 0.00 175.17 175.68 2k21 n PRO 77 N -0.89 0.36 0.06 8.23 -0.04 -1.26 -2.19 135.00 139.27 2k21 n PRO 77 Ca 0.10 0.06 0.02 0.00 -0.04 0.00 0.00 63.50 63.64 2k21 n PRO 77 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.08 0.54 -1.00 -2.00 -3.29 116.94 111.27 2k21 h PHE 78 Ca 0.00 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.45 2k21 h PHE 78 Cb 0.06 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 2k21 h PHE 78 CO 0.00 0.47 -1.81 -1.71 -1.61 0.00 0.00 178.31 173.65 2k21 n ASN 79 N -2.91 2.05 -0.01 2.17 2.85 -0.93 -4.23 115.26 114.25 2k21 n ASN 79 Ca -0.06 0.27 -0.03 0.00 -0.11 0.00 0.00 54.58 54.64 2k21 n ASN 79 Cb 0.77 -0.89 0.20 0.00 1.24 0.00 0.00 39.78 41.11 2k21 n ASN 79 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2k21 h VAL 80 N -0.26 1.25 0.02 3.44 -1.51 -1.70 -3.18 116.25 114.31 2k21 h VAL 80 Ca -0.41 -1.14 -0.22 0.00 -1.23 0.00 0.00 66.70 63.70 2k21 h VAL 80 Cb 1.82 1.19 -0.00 0.00 -2.13 0.00 0.00 31.29 32.16 2k21 h VAL 80 CO -0.01 0.37 -0.97 1.88 -1.23 0.00 0.00 177.57 177.61 2k21 h TYR 81 N 0.51 0.46 -3.60 5.19 0.05 -1.81 -3.45 116.97 114.31 2k21 h TYR 81 Ca 0.09 -0.27 -0.51 0.00 0.05 0.00 0.00 58.73 58.09 2k21 h TYR 81 Cb 0.58 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 2k21 h TYR 81 CO 0.02 1.10 0.18 0.42 -1.05 0.00 0.00 178.16 178.83 2k21 s ILE 82 N -3.13 4.43 0.24 -2.88 1.09 -1.20 -5.12 121.20 114.63 2k21 s ILE 82 Ca -0.04 1.53 0.06 0.00 -1.10 0.00 0.00 60.65 61.10 2k21 s ILE 82 Cb 0.09 -3.99 -0.03 0.00 -1.06 0.00 0.00 42.46 37.47 2k21 s ILE 82 CO 0.85 0.32 0.30 -0.70 -0.10 0.00 0.00 174.94 175.61 2k21 s GLU 83 N -1.68 3.25 0.53 2.79 2.56 -1.26 -4.85 118.70 120.04 2k21 s GLU 83 Ca 0.41 -0.87 0.30 0.00 0.00 0.00 0.00 54.97 54.81 2k21 s GLU 83 Cb -0.19 -2.77 1.43 0.00 2.00 0.00 0.00 34.13 34.60 2k21 s GLU 83 CO 0.23 0.42 2.03 1.03 -0.56 0.00 0.00 175.26 178.42 2k21 h SER 84 N 1.29 0.00 0.28 -1.70 0.87 -1.99 -2.77 113.55 109.53 2k21 h SER 84 Ca -0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2k21 h SER 84 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2k21 h SER 84 CO 0.61 0.10 -0.81 -0.90 -0.53 0.00 0.00 176.83 175.30 2k21 n ASP 85 N -3.40 0.72 0.26 6.23 5.68 -1.26 -4.07 116.55 120.71 2k21 n ASP 85 Ca -0.01 -0.55 0.18 0.00 -0.50 0.00 0.00 54.79 53.91 2k21 n ASP 85 Cb 0.28 0.67 0.82 0.00 -1.14 0.00 0.00 41.12 41.74 2k21 n ASP 85 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k21 h ALA 86 N 2.91 1.00 -5.48 2.12 0.00 -1.89 -3.47 119.26 114.45 2k21 h ALA 86 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2k21 h ALA 86 Cb 0.54 0.00 0.20 0.00 0.00 0.00 0.00 17.79 18.53 2k21 h ALA 86 CO 0.00 0.00 -0.86 0.91 0.00 0.00 0.00 179.25 179.30 2k21 n TRP 87 N -2.85 -2.44 -3.13 0.00 7.02 -1.26 -5.02 117.44 109.77 2k21 n TRP 87 Ca -0.01 0.85 0.00 0.00 -1.02 0.00 0.00 57.50 57.33 2k21 n TRP 87 Cb 0.18 -4.16 0.00 0.00 -2.42 0.00 0.00 31.31 24.92 2k21 n TRP 87 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 2k21 n GLN 88 N -3.30 0.00 -0.56 -0.99 7.27 -1.26 -5.13 117.38 113.41 2k21 n GLN 88 Ca -0.08 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.73 2k21 n GLN 88 Cb 0.62 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.22 2k21 n GLN 88 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2k21 n GLU 89 N 0.00 0.00 -0.16 3.69 0.00 -1.26 -4.87 120.64 118.05 2k21 n GLU 89 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 2k21 n GLU 89 Cb 0.00 -0.63 0.11 0.00 0.00 0.00 0.00 31.44 30.93 2k21 n GLU 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2k21 n LYS 90 N 2.86 1.70 -3.80 3.44 5.02 -1.26 -4.93 118.16 121.19 2k21 n LYS 90 Ca 0.21 -0.92 -0.25 0.00 -2.02 0.00 0.00 58.31 55.32 2k21 n LYS 90 Cb -0.02 -1.28 0.03 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.23 -2.78 0.26 4.39 9.92 -1.26 -4.83 116.55 122.48 2k21 n ASP 91 Ca 0.09 -0.80 0.10 0.00 -0.53 0.00 0.00 54.79 53.64 2k21 n ASP 91 Cb 0.27 -3.97 0.68 0.00 -0.64 0.00 0.00 41.12 37.46 2k21 n ASP 91 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2k21 h LYS 92 N -1.98 0.00 -0.74 -1.24 3.64 -1.98 -1.29 116.57 112.98 2k21 h LYS 92 Ca -0.60 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.85 2k21 h LYS 92 Cb 1.37 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.12 2k21 h LYS 92 CO 0.61 0.09 0.42 0.00 -2.27 0.00 0.00 179.45 178.30 2k21 h ALA 93 N 1.91 1.02 0.10 5.00 0.00 -1.99 0.60 119.26 125.90 2k21 h ALA 93 Ca -0.00 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2k21 h ALA 93 Cb 0.19 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k21 h ALA 93 CO 0.01 0.08 -0.63 -0.92 0.00 0.00 0.00 179.25 177.80 2k21 h TYR 94 N 0.74 0.43 0.00 0.00 3.20 -1.74 -3.30 116.97 116.31 2k21 h TYR 94 Ca 0.34 -0.31 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 2k21 h TYR 94 Cb 0.25 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 2k21 h TYR 94 CO -0.07 1.23 -0.27 0.28 -1.64 0.00 0.00 178.16 177.69 2k21 h VAL 95 N -0.49 1.16 -0.42 1.81 2.07 -0.84 -2.10 116.25 117.44 2k21 h VAL 95 Ca -0.11 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 2k21 h VAL 95 Cb 1.48 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 2k21 h VAL 95 CO 0.12 0.27 0.14 -0.61 0.02 0.00 0.00 177.57 177.50 2k21 h GLN 96 N 0.00 0.65 -0.19 1.57 -0.00 0.08 0.80 115.11 118.02 2k21 h GLN 96 Ca -0.00 -0.14 -0.19 0.00 -0.00 0.00 0.00 58.65 58.32 2k21 h GLN 96 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.88 2k21 h GLN 96 CO 0.04 0.64 -0.64 0.00 0.00 0.00 0.00 178.83 178.86 2k21 h ALA 97 N 0.99 0.51 -0.51 3.38 0.00 -1.60 -3.22 119.26 118.80 2k21 h ALA 97 Ca 0.14 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 2k21 h ALA 97 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2k21 h ALA 97 CO -0.01 0.70 -0.17 -0.09 0.00 0.00 0.00 179.25 179.68 2k21 h ARG 98 N 0.50 1.02 -0.35 0.00 9.65 -0.88 -3.24 114.38 121.08 2k21 h ARG 98 Ca -0.01 -0.42 0.06 0.00 -1.10 0.00 0.00 59.98 58.51 2k21 h ARG 98 Cb 1.23 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.71 2k21 h ARG 98 CO 0.13 1.10 0.02 0.28 2.80 0.00 0.00 179.97 184.30 2k21 h VAL 99 N 0.89 0.76 -0.02 0.20 2.07 0.53 0.39 116.25 121.06 2k21 h VAL 99 Ca 0.12 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 2k21 h VAL 99 Cb 0.75 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2k21 h VAL 99 CO 0.06 0.02 -0.21 -0.07 0.02 0.00 0.00 177.57 177.40 2k21 h LEU 100 N 0.12 0.03 0.09 2.57 3.38 -1.58 3.14 115.31 123.06 2k21 h LEU 100 Ca 0.17 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2k21 h LEU 100 Cb 0.23 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.98 2k21 h LEU 100 CO -0.27 0.24 -0.67 -0.08 0.09 0.00 0.00 178.44 177.75 2k21 h GLU 101 N 0.03 0.18 0.00 1.13 4.81 -1.56 -3.33 114.58 115.85 2k21 h GLU 101 Ca 0.00 -0.31 -0.08 0.00 -0.13 0.00 0.00 59.36 58.85 2k21 h GLU 101 Cb 0.38 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2k21 h GLU 101 CO 0.03 1.15 -0.36 1.03 -0.73 0.00 0.00 179.01 180.13 2k21 h SER 102 N -0.59 0.00 -0.39 1.04 0.87 0.17 -3.06 113.55 111.59 2k21 h SER 102 Ca -0.13 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.47 2k21 h SER 102 Cb 1.44 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.36 2k21 h SER 102 CO 0.07 0.36 0.16 0.22 -0.53 0.00 0.00 176.83 177.11 2k21 h TYR 103 N 0.00 0.28 -0.52 2.24 3.20 0.55 -0.18 116.97 122.55 2k21 h TYR 103 Ca -0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2k21 h TYR 103 Cb 0.67 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 2k21 h TYR 103 CO 0.00 0.12 0.15 -0.22 -1.64 0.00 0.00 178.16 176.57 2k21 h LYS 104 N 0.33 0.81 -0.29 1.82 3.64 -1.64 0.55 116.57 121.79 2k21 h LYS 104 Ca 0.18 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2k21 h LYS 104 Cb 0.14 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2k21 h LYS 104 CO -0.16 0.76 -0.18 1.03 -2.27 0.00 0.00 179.45 178.63 2k21 h SER 105 N 0.71 0.66 -0.16 4.20 0.87 -1.51 -3.26 113.55 115.06 2k21 h SER 105 Ca 0.17 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2k21 h SER 105 Cb 0.30 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2k21 h SER 105 CO -0.00 0.95 0.00 0.00 -0.53 0.00 0.00 176.83 177.24 2k21 n TYR 107 N 0.93 0.00 -3.60 0.00 4.02 0.19 -4.86 117.16 113.83 2k21 n TYR 107 Ca 0.17 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.90 2k21 n TYR 107 Cb 0.49 -1.08 -0.07 0.00 -0.02 0.00 0.00 39.34 38.66 2k21 n TYR 107 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2k21 s VAL 108 N -0.44 0.01 -0.55 -0.72 1.01 -0.85 -4.68 120.40 114.16 2k21 s VAL 108 Ca 0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 2k21 s VAL 108 Cb 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.48 2k21 s VAL 108 CO 0.00 -0.03 1.34 0.68 0.00 0.00 0.00 175.10 177.09 2k21 s VAL 109 N -0.54 3.88 0.09 2.92 -7.23 -1.26 -4.47 120.40 113.78 2k21 s VAL 109 Ca -0.07 0.78 0.00 0.00 -1.81 0.00 0.00 61.98 60.88 2k21 s VAL 109 Cb -0.03 -4.52 0.00 0.00 0.56 0.00 0.00 36.38 32.40 2k21 s VAL 109 CO 0.05 -1.19 0.00 -0.62 -0.31 0.00 0.00 175.10 173.03 2k21 n GLU 110 N 8.53 0.00 -3.56 4.82 4.71 -1.26 -5.10 120.64 128.78 2k21 n GLU 110 Ca 0.11 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 57.10 2k21 n GLU 110 Cb 0.49 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.86 2k21 n GLU 110 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2k21 s ASN 111 N -1.31 -0.55 -0.75 1.62 2.47 -1.26 -5.11 114.94 110.05 2k21 s ASN 111 Ca 0.00 0.48 -0.27 0.00 0.42 0.00 0.00 52.86 53.49 2k21 s ASN 111 Cb 0.00 0.50 0.03 0.00 -1.45 0.00 0.00 41.25 40.33 2k21 s ASN 111 CO 0.00 -0.63 1.29 -1.38 -3.72 0.00 0.00 177.10 172.66 2k21 s HIS 112 N -1.62 2.29 0.26 0.43 0.00 -1.26 -4.66 115.29 110.73 2k21 s HIS 112 Ca -0.09 -0.08 -0.14 0.00 -3.00 0.00 0.00 55.06 51.74 2k21 s HIS 112 Cb -0.01 -4.63 -0.08 0.00 -4.00 0.00 0.00 32.58 23.86 2k21 s HIS 112 CO 0.05 -2.08 0.66 -0.51 -1.00 0.00 0.00 174.74 171.87 2k21 s LEU 113 N 5.73 4.17 -0.11 5.38 1.43 -1.26 -5.00 118.68 129.02 2k21 s LEU 113 Ca 0.36 1.18 0.18 0.00 -1.03 0.00 0.00 54.13 54.82 2k21 s LEU 113 Cb -0.08 -3.78 -0.25 0.00 0.03 0.00 0.00 46.19 42.11 2k21 s LEU 113 CO 0.14 -0.09 0.33 0.00 0.23 0.00 0.00 176.35 176.96 2k21 n ALA 114 N 0.03 1.88 -1.16 4.21 0.00 -1.26 -4.39 120.51 119.82 2k21 n ALA 114 Ca 0.01 -0.98 -0.07 0.00 0.00 0.00 0.00 53.44 52.40 2k21 n ALA 114 Cb 0.52 -0.48 0.08 0.00 0.00 0.00 0.00 19.45 19.57 2k21 n ALA 114 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k21 n ILE 115 N -2.68 0.00 -4.04 0.00 5.41 -1.26 -5.06 119.36 111.73 2k21 n ILE 115 Ca -0.21 -0.24 -0.35 0.00 1.00 0.00 0.00 62.75 62.95 2k21 n ILE 115 Cb 0.96 -1.43 -0.09 0.00 -0.71 0.00 0.00 39.64 38.37 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 -3.90 3.74 0.30 0.38 2.02 -1.26 -5.00 118.70 114.98 2k21 s GLU 116 Ca 0.25 -0.31 0.08 0.00 0.02 0.00 0.00 54.97 55.01 2k21 s GLU 116 Cb -0.02 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 2k21 s GLU 116 CO 0.18 0.43 0.11 -0.65 0.02 0.00 0.00 175.26 175.34 2k21 s GLN 117 N -0.07 2.46 0.79 1.61 -1.52 -1.26 -5.14 119.66 116.53 2k21 s GLN 117 Ca 0.07 -1.40 -0.11 0.00 -1.95 0.00 0.00 55.36 51.97 2k21 s GLN 117 Cb -0.12 -2.25 0.07 0.00 -0.22 0.00 0.00 33.01 30.49 2k21 s GLN 117 CO 0.01 0.25 1.09 -1.25 -0.25 0.00 0.00 175.29 175.14 2k21 s PRO 118 N -3.79 2.10 -0.14 2.91 0.04 -1.26 -4.94 135.00 129.92 2k21 s PRO 118 Ca 0.35 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 2k21 s PRO 118 Cb -0.05 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2k21 s PRO 118 CO 0.22 -1.75 1.97 1.21 0.04 0.00 0.00 177.00 178.69 2k21 s ASN 119 N -3.37 6.03 0.08 6.66 3.84 -1.26 -4.95 114.94 121.97 2k21 s ASN 119 Ca 0.62 2.06 0.06 0.00 0.21 0.00 0.00 52.86 55.81 2k21 s ASN 119 Cb -0.17 -2.52 -0.03 0.00 -0.55 0.00 0.00 41.25 37.97 2k21 s ASN 119 CO 0.56 -1.48 -0.17 0.42 -2.79 0.00 0.00 177.10 173.65 2k21 s THR 120 N 6.21 1.35 -0.05 -5.21 -4.23 -1.26 -5.17 115.64 107.28 2k21 s THR 120 Ca 0.88 -1.38 -0.01 0.00 -1.18 0.00 0.00 61.69 60.01 2k21 s THR 120 Cb -0.34 -1.26 0.03 0.00 1.34 0.00 0.00 72.50 72.27 2k21 s THR 120 CO 0.36 -0.14 0.02 -2.28 -0.54 0.00 0.00 174.62 172.03 2k21 s HIS 121 N -1.20 0.38 0.22 3.99 5.04 -1.26 -4.98 115.29 117.48 2k21 s HIS 121 Ca 0.02 0.00 0.09 0.00 -1.54 0.00 0.00 55.06 53.63 2k21 s HIS 121 Cb -0.10 -0.57 -0.04 0.00 0.04 0.00 0.00 32.58 31.91 2k21 s HIS 121 CO 0.03 -0.21 -0.03 -0.51 -2.34 0.00 0.00 174.74 171.68 2k21 s LEU 122 N 1.64 3.16 0.53 8.88 1.02 -1.26 -5.13 118.68 127.51 2k21 s LEU 122 Ca -0.01 -0.57 -0.21 0.00 0.02 0.00 0.00 54.13 53.36 2k21 s LEU 122 Cb -0.13 -1.76 -0.06 0.00 0.02 0.00 0.00 46.19 44.27 2k21 s LEU 122 CO -0.03 0.05 1.22 -2.16 0.02 0.00 0.00 176.35 175.44 2k21 s PRO 123 N -3.28 3.36 0.98 1.29 0.04 -1.26 -5.03 135.00 131.10 2k21 s PRO 123 Ca 0.29 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 2k21 s PRO 123 Cb -0.08 -2.20 0.18 0.00 0.04 0.00 0.00 34.50 32.45 2k21 s PRO 123 CO 0.18 -0.91 1.11 -1.83 0.04 0.00 0.00 177.00 175.59 2k21 s GLU 124 N -2.98 0.54 -0.00 4.56 -1.05 -1.26 -5.09 118.70 113.41 2k21 s GLU 124 Ca 0.70 1.30 0.04 0.00 -0.15 0.00 0.00 54.97 56.87 2k21 s GLU 124 Cb -0.31 -1.69 -0.01 0.00 -0.44 0.00 0.00 34.13 31.68 2k21 s GLU 124 CO 0.36 -2.88 -0.13 0.95 0.95 0.00 0.00 175.26 174.51 2k21 s THR 125 N -2.62 1.06 0.36 1.83 -4.23 -1.26 -5.16 115.64 105.62 2k21 s THR 125 Ca 0.67 -0.64 -0.26 0.00 -1.18 0.00 0.00 61.69 60.28 2k21 s THR 125 Cb -0.23 -0.90 -0.09 0.00 1.34 0.00 0.00 72.50 72.62 2k21 s THR 125 CO 0.60 0.25 1.12 -0.54 -0.54 0.00 0.00 174.62 175.51 2k21 s LYS 126 N -0.45 4.26 0.44 3.99 1.02 -1.26 -5.02 119.74 122.73 2k21 s LYS 126 Ca 0.05 1.75 -0.25 0.00 0.02 0.00 0.00 55.97 57.53 2k21 s LYS 126 Cb -0.06 -2.80 -0.08 0.00 -0.52 0.00 0.00 37.83 34.37 2k21 s LYS 126 CO -0.00 -0.11 1.36 -1.25 -0.92 0.00 0.00 175.35 174.43 2k21 s PRO 127 N -2.09 3.77 0.73 -1.68 0.04 -1.26 -5.05 135.00 129.46 2k21 s PRO 127 Ca 0.53 2.27 -0.11 0.00 0.04 0.00 0.00 61.00 63.74 2k21 s PRO 127 Cb -0.29 -2.66 0.03 0.00 0.04 0.00 0.00 34.50 31.62 2k21 s PRO 127 CO 0.37 -0.70 1.07 -1.54 0.04 0.00 0.00 177.00 176.24 2k21 s SER 128 N -0.67 5.05 0.00 6.66 1.04 -1.26 -5.28 113.70 119.25 2k21 s SER 128 Ca 0.60 1.60 0.00 0.00 0.48 0.00 0.00 55.95 58.63 2k21 s SER 128 Cb -0.41 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.29 2k21 s SER 128 CO 0.52 -1.65 0.27 -2.65 0.98 0.00 0.00 173.24 170.71