#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k21 h ILE 2 N 0.00 0.00 -0.00 3.17 2.10 -1.95 -0.25 117.51 120.58 2k21 h ILE 2 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2k21 h ILE 2 Cb 0.00 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 36.05 2k21 h ILE 2 CO 0.00 0.00 -0.66 -0.11 -1.08 0.00 0.00 178.15 176.30 2k21 n LEU 3 N -2.30 1.13 0.15 2.19 7.94 -1.26 -4.26 117.00 120.58 2k21 n LEU 3 Ca -0.01 -0.41 0.13 0.00 -1.11 0.00 0.00 56.01 54.61 2k21 n LEU 3 Cb 0.48 -0.07 0.38 0.00 0.53 0.00 0.00 43.42 44.74 2k21 n LEU 3 CO 0.06 0.24 0.87 0.28 -1.11 0.00 0.00 177.39 177.74 2k21 h SER 4 N 0.74 0.00 -0.11 1.96 0.02 -1.46 -2.99 113.55 111.71 2k21 h SER 4 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2k21 h SER 4 Cb 0.56 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 2k21 h SER 4 CO 0.00 0.00 -0.07 -0.55 -1.14 0.00 0.00 176.83 175.07 2k21 h ASN 5 N 0.00 0.24 -0.27 3.07 -1.07 -1.74 -1.18 115.58 114.63 2k21 h ASN 5 Ca 0.00 -0.44 -0.18 0.00 0.07 0.00 0.00 56.30 55.75 2k21 h ASN 5 Cb 0.74 -0.07 -0.00 0.00 -2.07 0.00 0.00 38.32 36.92 2k21 h ASN 5 CO 0.00 0.63 -0.52 0.74 0.07 0.00 0.00 177.43 178.35 2k21 h THR 6 N -0.14 1.28 0.00 6.14 2.02 -1.81 -2.98 112.91 117.41 2k21 h THR 6 Ca 0.02 -1.70 -0.00 0.00 0.77 0.00 0.00 66.41 65.50 2k21 h THR 6 Cb 0.55 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2k21 h THR 6 CO 0.02 0.56 -0.01 0.71 0.37 0.00 0.00 175.52 177.16 2k21 h THR 7 N 0.66 0.03 -0.03 3.16 1.35 -1.58 -2.57 112.91 113.93 2k21 h THR 7 Ca 0.02 -0.63 -0.11 0.00 -0.55 0.00 0.00 66.41 65.14 2k21 h THR 7 Cb 1.12 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.13 2k21 h THR 7 CO 0.12 0.01 -0.50 0.00 -0.25 0.00 0.00 175.52 174.90 2k21 h ALA 8 N 1.99 1.12 -0.00 6.62 0.00 -1.05 -2.91 119.26 125.02 2k21 h ALA 8 Ca -0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 2k21 h ALA 8 Cb 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2k21 h ALA 8 CO 0.00 0.63 -0.82 0.28 0.00 0.00 0.00 179.25 179.34 2k21 h VAL 9 N 0.06 1.53 0.00 0.00 2.07 -1.43 -3.47 116.25 115.01 2k21 h VAL 9 Ca -0.00 -2.65 -0.44 0.00 0.82 0.00 0.00 66.70 64.42 2k21 h VAL 9 Cb 0.90 2.45 -0.06 0.00 -1.52 0.00 0.00 31.29 33.06 2k21 h VAL 9 CO 0.07 0.77 1.28 0.41 0.02 0.00 0.00 177.57 180.12 2k21 n THR 10 N -3.63 0.00 0.14 2.57 -1.04 -1.10 -4.77 114.28 106.44 2k21 n THR 10 Ca -0.02 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.07 2k21 n THR 10 Cb 0.78 -0.39 0.42 0.00 -1.82 0.00 0.00 70.33 69.32 2k21 n THR 10 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2k21 n PRO 11 N 6.43 0.10 0.13 -2.82 -0.02 -1.26 -2.00 135.00 135.56 2k21 n PRO 11 Ca 0.49 0.59 -0.01 0.00 -2.02 0.00 0.00 63.50 62.55 2k21 n PRO 11 Cb 0.01 -1.82 0.23 0.00 -0.02 0.00 0.00 33.50 31.90 2k21 n PRO 11 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2k21 h PHE 12 N 0.00 0.12 0.00 6.00 3.04 -1.98 -3.24 116.94 120.89 2k21 h PHE 12 Ca 0.00 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.87 2k21 h PHE 12 Cb 0.02 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 2k21 h PHE 12 CO 0.00 0.57 -0.18 -0.07 -2.02 0.00 0.00 178.31 176.61 2k21 h LEU 13 N 0.08 0.00 -0.86 0.59 3.38 -1.75 -2.97 115.31 113.78 2k21 h LEU 13 Ca 0.00 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.19 2k21 h LEU 13 Cb 0.89 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.51 2k21 h LEU 13 CO 0.07 0.18 0.26 0.74 0.09 0.00 0.00 178.44 179.78 2k21 h THR 14 N 0.00 0.38 0.02 0.22 2.02 -1.72 0.60 112.91 114.42 2k21 h THR 14 Ca -0.00 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2k21 h THR 14 Cb 0.39 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2k21 h THR 14 CO 0.02 0.05 -0.01 0.11 0.37 0.00 0.00 175.52 176.06 2k21 h LYS 15 N 0.25 -0.03 -0.62 6.66 1.57 -1.74 -0.07 116.57 122.60 2k21 h LYS 15 Ca 0.53 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.27 2k21 h LYS 15 Cb 1.04 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 2k21 h LYS 15 CO -0.61 0.64 0.21 -0.07 -0.57 0.00 0.00 179.45 179.05 2k21 h LEU 16 N -0.73 0.88 -0.54 2.94 4.07 -1.33 0.21 115.31 120.81 2k21 h LEU 16 Ca -0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 2k21 h LEU 16 Cb 0.68 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 2k21 h LEU 16 CO 0.00 0.84 0.30 -0.25 -1.08 0.00 0.00 178.44 178.26 2k21 h TRP 17 N 0.87 0.74 -0.36 1.13 2.91 0.12 0.25 115.95 121.62 2k21 h TRP 17 Ca 0.20 -0.01 -0.12 0.00 1.13 0.00 0.00 58.89 60.09 2k21 h TRP 17 Cb 0.26 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 2k21 h TRP 17 CO 0.02 0.53 -0.23 0.37 -1.03 0.00 0.00 178.44 178.10 2k21 h GLN 18 N 0.73 0.79 -0.57 2.65 5.75 -0.96 -1.98 115.11 121.50 2k21 h GLN 18 Ca 0.19 -0.37 -0.06 0.00 -0.15 0.00 0.00 58.65 58.26 2k21 h GLN 18 Cb 0.03 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 2k21 h GLN 18 CO -0.03 0.99 0.11 1.49 -2.65 0.00 0.00 178.83 178.74 2k21 h GLU 19 N 0.57 0.94 -0.42 1.69 4.57 -0.53 0.18 114.58 121.59 2k21 h GLU 19 Ca 0.07 -0.24 -0.09 0.00 -1.18 0.00 0.00 59.36 57.92 2k21 h GLU 19 Cb 0.79 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 2k21 h GLU 19 CO 0.06 0.89 -0.12 1.15 -1.18 0.00 0.00 179.01 179.81 2k21 h THR 20 N 0.84 1.26 0.09 0.32 2.02 -0.70 0.37 112.91 117.11 2k21 h THR 20 Ca 0.18 -1.17 -0.16 0.00 0.77 0.00 0.00 66.41 66.03 2k21 h THR 20 Cb 0.39 1.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2k21 h THR 20 CO 0.01 0.40 -0.74 0.58 0.37 0.00 0.00 175.52 176.13 2k21 h VAL 21 N 0.68 1.46 -0.00 3.16 2.07 -0.93 -2.88 116.25 119.81 2k21 h VAL 21 Ca 0.11 -2.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.19 2k21 h VAL 21 Cb 0.59 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 2k21 h VAL 21 CO 0.04 0.66 -0.01 -0.61 0.02 0.00 0.00 177.57 177.67 2k21 h GLN 22 N -0.56 0.01 0.08 1.57 -0.00 -0.35 -3.34 115.11 112.52 2k21 h GLN 22 Ca -0.15 -0.01 -0.26 0.00 -0.00 0.00 0.00 58.65 58.23 2k21 h GLN 22 Cb 1.48 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.95 2k21 h GLN 22 CO 0.07 0.68 -1.19 0.37 0.00 0.00 0.00 178.83 178.76 2k21 h GLN 23 N -0.65 0.18 0.00 1.69 5.75 -0.45 -3.48 115.11 118.15 2k21 h GLN 23 Ca -0.00 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 2k21 h GLN 23 Cb 0.68 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.34 2k21 h GLN 23 CO 0.00 1.13 0.00 0.41 -2.65 0.00 0.00 178.83 177.72 2k21 n GLY 24 N 1.48 0.81 4.26 2.39 0.00 -1.13 -4.23 105.19 108.77 2k21 n GLY 24 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.02 -0.12 0.00 -0.02 0.00 -1.10 -4.88 105.19 97.05 2k21 n GLY 25 Ca 0.00 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.78 0.00 -0.23 1.61 3.02 -1.26 -3.31 115.26 112.30 2k21 n ASN 26 Ca -0.32 -1.04 -0.03 0.00 -0.03 0.00 0.00 54.58 53.17 2k21 n ASN 26 Cb 0.68 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.93 2k21 n ASN 26 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2k21 h MET 27 N 0.00 0.74 -0.64 3.52 2.86 -1.94 -2.62 114.93 116.85 2k21 h MET 27 Ca 0.00 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2k21 h MET 27 Cb 0.00 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.46 2k21 h MET 27 CO 0.00 0.49 0.26 0.77 1.06 0.00 0.00 176.91 179.49 2k21 h SER 28 N 0.76 0.88 0.00 1.22 0.02 -1.96 -3.48 113.55 110.99 2k21 h SER 28 Ca 0.28 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2k21 h SER 28 Cb 0.08 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2k21 h SER 28 CO -0.13 0.80 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 2k21 n GLY 29 N -0.85 2.77 0.00 -3.77 0.00 -0.99 -4.81 105.19 97.54 2k21 n GLY 29 Ca 0.04 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.14 0.99 7.99 -1.26 -2.70 117.00 122.16 2k21 n LEU 30 Ca 0.00 0.36 0.13 0.00 -0.01 0.00 0.00 56.01 56.49 2k21 n LEU 30 Cb 0.00 -0.36 0.43 0.00 -0.11 0.00 0.00 43.42 43.38 2k21 n LEU 30 CO 0.00 -0.10 0.88 0.00 -1.51 0.00 0.00 177.39 176.66 2k21 h ALA 31 N 2.94 1.00 0.00 -1.18 0.00 -1.87 -3.21 119.26 116.93 2k21 h ALA 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k21 h ALA 31 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k21 h ALA 31 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.12 2k21 n ARG 32 N -2.41 0.07 -1.42 0.00 0.63 -1.10 -4.84 116.66 107.60 2k21 n ARG 32 Ca 0.04 0.27 -0.42 0.00 -0.92 0.00 0.00 57.85 56.82 2k21 n ARG 32 Cb 0.36 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.66 2k21 n ARG 32 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2k21 n ARG 33 N -1.74 0.43 -1.54 -0.14 0.63 -1.22 -4.91 116.66 108.17 2k21 n ARG 33 Ca 0.04 0.16 -0.37 0.00 -0.92 0.00 0.00 57.85 56.75 2k21 n ARG 33 Cb 0.22 -1.39 0.06 0.00 0.45 0.00 0.00 32.46 31.80 2k21 n ARG 33 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2k21 n SER 34 N 1.51 0.28 0.00 6.15 7.64 -1.26 -4.87 113.62 123.07 2k21 n SER 34 Ca 0.12 0.75 0.04 0.00 1.01 0.00 0.00 58.87 60.79 2k21 n SER 34 Cb 0.39 -1.34 0.23 0.00 -1.01 0.00 0.00 64.21 62.48 2k21 n SER 34 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2k21 n PRO 35 N -0.99 0.49 -2.04 1.43 -0.04 -1.26 -4.79 135.00 127.80 2k21 n PRO 35 Ca 0.13 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 2k21 n PRO 35 Cb 0.48 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 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 -2.00 4.13 -0.32 0.54 0.52 -1.26 -4.97 118.95 115.59 2k21 s ARG 36 Ca 0.12 2.10 0.06 0.00 -0.52 0.00 0.00 55.73 57.48 2k21 s ARG 36 Cb 0.05 -3.98 0.19 0.00 0.52 0.00 0.00 34.95 31.73 2k21 s ARG 36 CO 0.09 -0.90 0.57 0.45 0.02 0.00 0.00 175.30 175.53 2k21 s SER 37 N 3.40 -1.24 1.13 0.23 0.15 -1.26 -5.12 113.70 110.99 2k21 s SER 37 Ca 0.72 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.17 2k21 s SER 37 Cb -0.32 1.84 0.00 0.00 -1.71 0.00 0.00 66.02 65.84 2k21 s SER 37 CO 0.28 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2k21 n GLY 38 N 5.11 1.82 0.01 9.45 0.00 -1.26 -3.28 105.19 117.03 2k21 n GLY 38 Ca 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 9.99 4.43 0.00 1.61 9.92 -1.26 -5.05 116.55 136.19 2k21 n ASP 39 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2k21 n ASP 39 Cb 0.00 0.79 0.00 0.00 -0.64 0.00 0.00 41.12 41.27 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 2.65 2.91 0.13 0.44 0.00 -1.21 -5.04 105.19 105.07 2k21 n GLY 40 Ca -0.02 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 0.33 0.00 1.61 6.56 -1.94 -3.27 116.57 119.86 2k21 h LYS 41 Ca 0.00 -0.56 -0.08 0.00 -1.06 0.00 0.00 60.65 58.95 2k21 h LYS 41 Cb 0.00 0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 2k21 h LYS 41 CO 0.00 1.23 -0.37 1.37 -2.06 0.00 0.00 179.45 179.61 2k21 h LEU 42 N 0.09 0.00 -0.10 2.94 -0.00 -1.95 -3.04 115.31 113.25 2k21 h LEU 42 Ca -0.34 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.42 2k21 h LEU 42 Cb 2.07 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.71 2k21 h LEU 42 CO 0.15 0.37 -0.59 -0.33 -0.00 0.00 0.00 178.44 178.05 2k21 h GLU 43 N 0.00 0.00 -0.59 0.17 5.08 -1.97 -3.18 114.58 114.09 2k21 h GLU 43 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k21 h GLU 43 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2k21 h GLU 43 CO 0.05 0.59 0.00 0.00 -1.00 0.00 0.00 179.01 178.65 2k21 n ALA 44 N -2.26 2.70 -2.13 3.43 0.00 -1.15 -5.01 120.51 116.09 2k21 n ALA 44 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2k21 n ALA 44 Cb 0.75 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 0.13 -5.47 0.23 0.00 4.77 -1.20 -4.58 117.00 110.88 2k21 n LEU 45 Ca 0.07 2.94 0.11 0.00 -0.03 0.00 0.00 56.01 59.10 2k21 n LEU 45 Cb 0.36 -3.01 0.48 0.00 -2.33 0.00 0.00 43.42 38.92 2k21 n LEU 45 CO 0.07 -1.99 0.82 0.10 -1.33 0.00 0.00 177.39 175.07 2k21 h TYR 46 N 4.30 0.00 0.00 -1.77 -0.00 -1.76 -3.15 116.97 114.58 2k21 h TYR 46 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.73 2k21 h TYR 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 2k21 h TYR 46 CO 0.00 0.19 -0.00 0.28 -0.00 0.00 0.00 178.16 178.63 2k21 h VAL 47 N 0.00 0.49 -0.99 -0.90 2.07 -1.95 -2.64 116.25 112.32 2k21 h VAL 47 Ca -0.00 -1.37 0.18 0.00 0.82 0.00 0.00 66.70 66.33 2k21 h VAL 47 Cb 0.73 0.93 -0.10 0.00 -1.52 0.00 0.00 31.29 31.33 2k21 h VAL 47 CO 0.02 0.17 0.62 0.25 0.02 0.00 0.00 177.57 178.65 2k21 h LEU 48 N -1.00 0.78 -0.54 2.57 5.85 -1.88 -1.38 115.31 119.72 2k21 h LEU 48 Ca -0.00 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2k21 h LEU 48 Cb 0.27 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2k21 h LEU 48 CO 0.00 0.32 0.15 0.24 -0.34 0.00 0.00 178.44 178.81 2k21 h MET 49 N 0.78 0.85 -0.64 1.25 2.86 -1.65 -3.00 114.93 115.38 2k21 h MET 49 Ca 0.55 -0.20 0.12 0.00 -2.06 0.00 0.00 59.70 58.11 2k21 h MET 49 Cb 0.83 -0.12 -0.08 0.00 0.06 0.00 0.00 31.60 32.29 2k21 h MET 49 CO -0.33 0.79 0.20 0.28 1.06 0.00 0.00 176.91 178.91 2k21 h VAL 50 N 0.76 0.68 -0.14 -2.22 2.07 -0.87 0.28 116.25 116.81 2k21 h VAL 50 Ca 0.17 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2k21 h VAL 50 Cb 0.31 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2k21 h VAL 50 CO -0.00 0.06 0.08 0.25 0.02 0.00 0.00 177.57 177.98 2k21 h LEU 51 N 0.35 0.17 -0.27 2.57 5.85 -1.33 1.89 115.31 124.55 2k21 h LEU 51 Ca 0.34 -0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.78 2k21 h LEU 51 Cb 0.49 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2k21 h LEU 51 CO -0.38 0.20 -0.63 1.23 -0.34 0.00 0.00 178.44 178.52 2k21 h GLY 52 N 0.13 0.89 0.95 3.75 0.00 -1.27 -2.76 103.07 104.77 2k21 h GLY 52 Ca 0.05 -1.12 -0.04 0.00 0.00 0.00 0.00 47.33 46.22 2k21 h GLY 52 CO -0.01 1.00 0.13 -2.75 0.00 0.00 0.00 176.54 174.91 2k21 h PHE 53 N 0.60 0.73 -0.58 5.60 3.57 0.19 -2.95 116.94 124.10 2k21 h PHE 53 Ca -0.01 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 2k21 h PHE 53 Cb 1.24 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 2k21 h PHE 53 CO 0.07 0.67 0.22 0.35 -2.23 0.00 0.00 178.31 177.39 2k21 h PHE 54 N 0.59 0.86 -0.11 0.41 3.57 0.30 0.49 116.94 123.05 2k21 h PHE 54 Ca 0.14 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 2k21 h PHE 54 Cb 0.29 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2k21 h PHE 54 CO 0.02 0.67 -0.43 0.78 -2.23 0.00 0.00 178.31 177.12 2k21 h GLY 55 N 0.96 0.28 0.37 2.40 0.00 -1.46 0.33 103.07 105.95 2k21 h GLY 55 Ca 0.20 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 2k21 h GLY 55 CO -0.02 0.25 -0.43 -2.75 0.00 0.00 0.00 176.54 173.59 2k21 h PHE 56 N 0.21 0.29 -0.02 5.60 3.57 -1.27 -3.34 116.94 121.98 2k21 h PHE 56 Ca 0.02 -0.21 -0.08 0.00 3.53 0.00 0.00 57.97 61.23 2k21 h PHE 56 Cb 0.85 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 2k21 h PHE 56 CO 0.02 1.16 -0.37 0.35 -2.23 0.00 0.00 178.31 177.24 2k21 h PHE 57 N -0.65 0.05 0.00 0.41 3.57 0.17 0.60 116.94 121.09 2k21 h PHE 57 Ca -0.07 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 2k21 h PHE 57 Cb 1.33 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 2k21 h PHE 57 CO 0.23 0.41 -0.03 1.15 -2.23 0.00 0.00 178.31 177.84 2k21 h THR 58 N 0.04 0.98 0.00 4.41 2.02 -0.50 -2.71 112.91 117.15 2k21 h THR 58 Ca 0.00 -0.11 -0.19 0.00 0.77 0.00 0.00 66.41 66.88 2k21 h THR 58 Cb 0.67 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 2k21 h THR 58 CO 0.05 0.03 -2.11 -0.11 0.37 0.00 0.00 175.52 173.75 2k21 n LEU 59 N -4.44 0.00 0.02 2.58 7.94 -1.13 -4.60 117.00 117.36 2k21 n LEU 59 Ca -0.03 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.06 2k21 n LEU 59 Cb 0.12 0.25 0.67 0.00 0.53 0.00 0.00 43.42 44.99 2k21 n LEU 59 CO 0.34 0.25 1.17 1.23 -1.11 0.00 0.00 177.39 179.27 2k21 h GLY 60 N 3.66 0.04 0.63 -3.96 0.00 0.52 0.83 103.07 104.79 2k21 h GLY 60 Ca -0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2k21 h GLY 60 CO 0.02 0.00 -0.03 0.16 0.00 0.00 0.00 176.54 176.69 2k21 h ILE 61 N 0.02 1.34 -0.31 2.60 3.07 -1.75 -0.04 117.51 122.44 2k21 h ILE 61 Ca 0.23 -1.06 -0.13 0.00 1.55 0.00 0.00 64.86 65.46 2k21 h ILE 61 Cb 0.89 1.94 -0.01 0.00 -0.27 0.00 0.00 36.82 39.38 2k21 h ILE 61 CO -0.01 0.29 -0.32 -0.03 -1.05 0.00 0.00 178.15 177.02 2k21 h MET 62 N -0.29 0.67 0.00 0.16 4.05 -1.18 -1.58 114.93 116.76 2k21 h MET 62 Ca 0.01 -0.31 -0.11 0.00 -0.28 0.00 0.00 59.70 59.01 2k21 h MET 62 Cb 0.48 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 2k21 h MET 62 CO 0.01 0.91 -0.54 -0.07 0.23 0.00 0.00 176.91 177.45 2k21 h LEU 63 N 0.57 0.00 -0.24 3.39 3.38 -1.08 -0.57 115.31 120.76 2k21 h LEU 63 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2k21 h LEU 63 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2k21 h LEU 63 CO 0.07 0.54 -0.13 -1.28 0.09 0.00 0.00 178.44 177.72 2k21 h SER 64 N 0.00 0.52 -0.41 -0.43 0.87 -0.86 -3.18 113.55 110.06 2k21 h SER 64 Ca -0.01 -0.42 -0.07 0.00 -1.23 0.00 0.00 61.79 60.06 2k21 h SER 64 Cb 1.00 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 2k21 h SER 64 CO 0.07 0.83 -0.03 0.22 -0.53 0.00 0.00 176.83 177.39 2k21 h TYR 65 N 0.22 0.82 0.14 2.24 3.20 -0.58 0.20 116.97 123.21 2k21 h TYR 65 Ca 0.05 -0.15 0.02 0.00 3.14 0.00 0.00 58.73 61.79 2k21 h TYR 65 Cb 0.64 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 2k21 h TYR 65 CO 0.07 0.83 -0.35 0.82 -1.64 0.00 0.00 178.16 177.89 2k21 h ILE 66 N 0.57 0.27 0.00 1.81 2.04 -1.27 0.46 117.51 121.38 2k21 h ILE 66 Ca 0.11 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.91 2k21 h ILE 66 Cb 0.52 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2k21 h ILE 66 CO 0.03 0.00 -0.29 0.03 0.00 0.00 0.00 178.15 177.92 2k21 h ARG 67 N -0.59 0.00 -0.15 2.37 2.47 -1.43 -1.89 114.38 115.16 2k21 h ARG 67 Ca 0.02 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.53 2k21 h ARG 67 Cb 0.61 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.94 2k21 h ARG 67 CO -0.19 0.29 -0.75 1.03 0.56 0.00 0.00 179.97 180.91 2k21 h SER 68 N 0.00 0.86 1.17 7.04 0.87 -0.86 -2.42 113.55 120.21 2k21 h SER 68 Ca -0.00 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2k21 h SER 68 Cb 0.64 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2k21 h SER 68 CO 0.04 1.35 0.00 0.50 -0.53 0.00 0.00 176.83 178.18 2k21 h LYS 69 N 0.51 0.00 0.00 2.24 3.64 -0.28 1.31 116.57 123.99 2k21 h LYS 69 Ca -0.04 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.10 2k21 h LYS 69 Cb 1.37 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.15 2k21 h LYS 69 CO 0.15 0.00 -1.48 0.87 -2.27 0.00 0.00 179.45 176.72 2k21 h LYS 70 N 0.00 0.00 0.00 1.90 1.57 -1.36 -3.40 116.57 115.28 2k21 h LYS 70 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k21 h LYS 70 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 2k21 h LYS 70 CO 0.00 0.50 -0.13 1.28 -0.57 0.00 0.00 179.45 180.54 2k21 n LEU 71 N -3.05 2.32 -0.12 2.94 4.32 -0.58 -4.76 117.00 118.07 2k21 n LEU 71 Ca -0.12 -3.16 -0.01 0.00 -0.02 0.00 0.00 56.01 52.71 2k21 n LEU 71 Cb 0.97 -0.43 0.25 0.00 -1.62 0.00 0.00 43.42 42.59 2k21 n LEU 71 CO 0.44 0.83 1.07 1.05 -1.22 0.00 0.00 177.39 179.56 2k21 h GLU 72 N 0.20 0.80 -5.35 3.23 4.11 0.14 -3.33 114.58 114.38 2k21 h GLU 72 Ca -0.00 -0.11 -0.67 0.00 0.07 0.00 0.00 59.36 58.64 2k21 h GLU 72 Cb 1.02 -0.15 -0.15 0.00 0.50 0.00 0.00 28.75 29.98 2k21 h GLU 72 CO 0.00 0.65 1.19 -1.01 0.07 0.00 0.00 179.01 179.91 2k21 s HIS 73 N -5.40 2.98 -0.78 2.06 3.76 -1.26 -4.91 115.29 111.74 2k21 s HIS 73 Ca -0.10 -1.35 -0.01 0.00 -0.15 0.00 0.00 55.06 53.45 2k21 s HIS 73 Cb 0.16 -4.44 0.19 0.00 1.11 0.00 0.00 32.58 29.61 2k21 s HIS 73 CO 0.78 -1.63 0.63 -1.12 -0.85 0.00 0.00 174.74 172.55 2k21 s SER 74 N 3.95 5.58 -1.11 1.40 0.01 -1.25 -5.06 113.70 117.23 2k21 s SER 74 Ca 0.39 -3.45 -0.16 0.00 1.31 0.00 0.00 55.95 54.05 2k21 s SER 74 Cb -0.03 -1.86 0.15 0.00 0.21 0.00 0.00 66.02 64.50 2k21 s SER 74 CO -0.07 -0.23 1.34 0.54 0.41 0.00 0.00 173.24 175.22 2k21 s ASN 75 N -0.03 6.89 0.05 2.44 6.03 -1.26 -4.85 114.94 124.21 2k21 s ASN 75 Ca 0.24 -2.59 0.05 0.00 -1.03 0.00 0.00 52.86 49.52 2k21 s ASN 75 Cb -0.11 -2.41 -0.04 0.00 -3.03 0.00 0.00 41.25 35.66 2k21 s ASN 75 CO -0.10 -0.90 -0.08 -1.81 -2.03 0.00 0.00 177.10 172.19 2k21 s ASP 76 N 3.23 4.53 0.15 3.54 1.01 -1.26 -5.02 116.67 122.84 2k21 s ASP 76 Ca 0.40 -0.26 0.12 0.00 0.71 0.00 0.00 52.55 53.52 2k21 s ASP 76 Cb -0.03 -0.97 0.61 0.00 1.01 0.00 0.00 42.92 43.54 2k21 s ASP 76 CO -0.03 0.23 1.37 -0.81 0.21 0.00 0.00 175.17 176.14 2k21 n PRO 77 N 1.12 0.07 -0.06 8.23 -0.04 -1.26 -1.39 135.00 141.67 2k21 n PRO 77 Ca -0.14 0.52 -0.17 0.00 -0.04 0.00 0.00 63.50 63.67 2k21 n PRO 77 Cb 0.52 -1.71 -0.14 0.00 -0.04 0.00 0.00 33.50 32.14 2k21 n PRO 77 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2k21 n PHE 78 N -1.86 0.60 0.24 0.54 3.72 -1.26 -3.96 117.46 115.48 2k21 n PHE 78 Ca 0.00 0.15 0.12 0.00 -0.05 0.00 0.00 57.45 57.67 2k21 n PHE 78 Cb 0.06 -1.09 0.04 0.00 -0.94 0.00 0.00 39.48 37.55 2k21 n PHE 78 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2k21 h ASN 79 N 0.03 0.00 -0.00 4.37 4.21 -1.41 -2.90 115.58 119.87 2k21 h ASN 79 Ca -0.48 -0.07 -0.02 0.00 1.21 0.00 0.00 56.30 56.94 2k21 h ASN 79 Cb 2.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.22 2k21 h ASN 79 CO 0.02 0.03 -0.08 0.58 -1.29 0.00 0.00 177.43 176.69 2k21 h VAL 80 N 0.00 1.61 0.00 2.81 2.07 -1.46 -3.39 116.25 117.89 2k21 h VAL 80 Ca 0.00 -1.90 -0.15 0.00 0.82 0.00 0.00 66.70 65.47 2k21 h VAL 80 Cb 0.93 2.87 -0.02 0.00 -1.52 0.00 0.00 31.29 33.54 2k21 h VAL 80 CO 0.00 0.50 -0.83 0.22 0.02 0.00 0.00 177.57 177.48 2k21 h TYR 81 N -0.70 0.00 -4.05 1.57 3.20 -1.70 -3.44 116.97 111.84 2k21 h TYR 81 Ca -0.01 0.00 -0.56 0.00 3.14 0.00 0.00 58.73 61.30 2k21 h TYR 81 Cb 0.87 0.00 -0.24 0.00 1.54 0.00 0.00 36.73 38.90 2k21 h TYR 81 CO 0.20 0.66 -0.83 0.42 -1.64 0.00 0.00 178.16 176.96 2k21 s ILE 82 N -2.88 1.66 -0.07 1.81 -1.09 -1.10 -5.10 121.20 114.44 2k21 s ILE 82 Ca 0.02 -1.35 0.03 0.00 -2.23 0.00 0.00 60.65 57.12 2k21 s ILE 82 Cb 0.08 -1.48 -0.02 0.00 -1.58 0.00 0.00 42.46 39.46 2k21 s ILE 82 CO 0.78 0.08 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.79 2k21 s GLU 83 N -1.51 2.68 0.52 2.79 0.41 -1.26 -4.15 118.70 118.19 2k21 s GLU 83 Ca 0.07 -0.73 0.29 0.00 -0.41 0.00 0.00 54.97 54.19 2k21 s GLU 83 Cb -0.09 -2.39 1.40 0.00 -1.78 0.00 0.00 34.13 31.27 2k21 s GLU 83 CO 0.03 0.50 2.03 1.03 -0.49 0.00 0.00 175.26 178.35 2k21 h SER 84 N 5.75 0.00 0.59 -0.19 0.87 -1.96 -3.07 113.55 115.54 2k21 h SER 84 Ca -0.40 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.01 2k21 h SER 84 Cb 1.17 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 2k21 h SER 84 CO 0.51 0.11 -0.69 0.44 -0.53 0.00 0.00 176.83 176.67 2k21 h ASP 85 N 0.00 0.10 0.03 6.23 3.32 -2.01 -3.24 116.42 120.85 2k21 h ASP 85 Ca -0.00 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 2k21 h ASP 85 Cb 0.43 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2k21 h ASP 85 CO 0.01 0.76 -0.01 0.00 -1.72 0.00 0.00 179.24 178.28 2k21 h ALA 86 N 1.24 -0.04 -5.23 3.45 0.00 -1.98 -3.51 119.26 113.20 2k21 h ALA 86 Ca -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.56 2k21 h ALA 86 Cb 1.23 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 2k21 h ALA 86 CO 0.10 -0.08 -1.01 1.87 0.00 0.00 0.00 179.25 180.13 2k21 n TRP 87 N -4.72 -3.07 0.00 0.00 -0.00 -1.17 -5.10 117.44 103.38 2k21 n TRP 87 Ca -0.08 1.80 0.00 0.00 -0.00 0.00 0.00 57.50 59.22 2k21 n TRP 87 Cb 0.34 -2.96 0.00 0.00 -0.00 0.00 0.00 31.31 28.69 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 1.99 0.00 -1.72 5.87 1.13 -1.26 -5.13 117.38 118.26 2k21 n GLN 88 Ca -0.24 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.53 2k21 n GLN 88 Cb 0.37 0.00 0.13 0.00 0.11 0.00 0.00 30.24 30.85 2k21 n GLN 88 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2k21 s GLU 89 N 0.00 1.21 0.00 -1.09 2.56 -1.26 -4.94 118.70 115.18 2k21 s GLU 89 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 54.97 55.09 2k21 s GLU 89 Cb 0.00 -1.87 0.23 0.00 2.00 0.00 0.00 34.13 34.49 2k21 s GLU 89 CO 0.00 -2.11 1.16 1.63 -0.56 0.00 0.00 175.26 175.39 2k21 n LYS 90 N -3.66 1.21 -2.26 4.30 5.02 -1.26 -4.86 118.16 116.65 2k21 n LYS 90 Ca 0.09 -0.32 -0.19 0.00 -2.02 0.00 0.00 58.31 55.87 2k21 n LYS 90 Cb 0.60 -1.11 -0.02 0.00 -0.02 0.00 0.00 35.03 34.48 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 -0.28 -5.39 0.19 4.39 9.92 -1.26 -4.89 116.55 119.23 2k21 n ASP 91 Ca 0.05 0.11 0.03 0.00 -0.53 0.00 0.00 54.79 54.45 2k21 n ASP 91 Cb 0.09 -4.55 0.36 0.00 -0.64 0.00 0.00 41.12 36.37 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 0.00 0.00 -0.08 -1.24 3.64 -1.97 0.37 116.57 117.29 2k21 h LYS 92 Ca -0.44 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.74 2k21 h LYS 92 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2k21 h LYS 92 CO 0.54 0.39 -0.78 0.00 -2.27 0.00 0.00 179.45 177.33 2k21 h ALA 93 N 1.61 0.49 0.14 5.00 0.00 -2.00 -1.65 119.26 122.85 2k21 h ALA 93 Ca -0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 54.91 54.01 2k21 h ALA 93 Cb 0.74 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.50 2k21 h ALA 93 CO 0.05 0.75 -1.35 1.88 0.00 0.00 0.00 179.25 180.59 2k21 h TYR 94 N 0.33 0.53 -0.23 0.00 0.05 -1.26 -3.22 116.97 113.17 2k21 h TYR 94 Ca -0.05 -0.38 -0.04 0.00 0.05 0.00 0.00 58.73 58.31 2k21 h TYR 94 Cb 1.38 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.08 2k21 h TYR 94 CO 0.06 1.52 -0.05 0.28 -1.05 0.00 0.00 178.16 178.92 2k21 h VAL 95 N -0.24 1.17 -0.25 -2.88 2.07 -0.43 0.33 116.25 116.02 2k21 h VAL 95 Ca -0.28 -0.71 -0.11 0.00 0.82 0.00 0.00 66.70 66.42 2k21 h VAL 95 Cb 1.80 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2k21 h VAL 95 CO 0.10 0.23 -0.28 -0.61 0.02 0.00 0.00 177.57 177.03 2k21 h GLN 96 N 0.34 0.63 -0.08 1.57 4.15 -1.40 2.77 115.11 123.10 2k21 h GLN 96 Ca 0.07 -0.35 -0.22 0.00 0.77 0.00 0.00 58.65 58.93 2k21 h GLN 96 Cb 0.32 0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.03 2k21 h GLN 96 CO 0.01 0.95 -0.84 0.00 -1.93 0.00 0.00 178.83 177.03 2k21 h ALA 97 N 0.67 0.37 -0.10 3.38 0.00 -1.37 -3.28 119.26 118.94 2k21 h ALA 97 Ca 0.04 -0.64 -0.21 0.00 0.00 0.00 0.00 54.91 54.09 2k21 h ALA 97 Cb 0.85 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.63 2k21 h ALA 97 CO 0.07 0.73 -0.81 0.00 0.00 0.00 0.00 179.25 179.25 2k21 h ARG 98 N 0.38 0.61 -0.23 0.00 2.47 -0.08 -3.16 114.38 114.37 2k21 h ARG 98 Ca -0.06 -0.53 0.05 0.00 -1.26 0.00 0.00 59.98 58.18 2k21 h ARG 98 Cb 1.46 0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 29.82 2k21 h ARG 98 CO 0.16 1.15 -0.39 0.28 0.56 0.00 0.00 179.97 181.73 2k21 h VAL 99 N 0.40 0.18 -0.80 2.04 2.07 0.48 1.66 116.25 122.27 2k21 h VAL 99 Ca -0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2k21 h VAL 99 Cb 1.42 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2k21 h VAL 99 CO 0.15 0.00 0.39 0.25 0.02 0.00 0.00 177.57 178.38 2k21 h LEU 100 N -0.41 1.04 0.19 2.57 5.85 -1.62 1.27 115.31 124.21 2k21 h LEU 100 Ca 0.11 -0.12 -0.32 0.00 0.84 0.00 0.00 57.88 58.38 2k21 h LEU 100 Cb 0.59 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 41.37 2k21 h LEU 100 CO -0.45 0.88 -1.55 -0.08 -0.34 0.00 0.00 178.44 176.90 2k21 h GLU 101 N 1.14 0.40 -0.19 1.25 4.81 -1.16 -3.13 114.58 117.70 2k21 h GLU 101 Ca 0.28 -0.68 -0.13 0.00 -0.13 0.00 0.00 59.36 58.70 2k21 h GLU 101 Cb 0.11 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2k21 h GLU 101 CO -0.04 1.32 -0.45 0.66 -0.73 0.00 0.00 179.01 179.77 2k21 h SER 102 N -0.00 0.50 -0.58 1.04 4.64 0.33 -2.24 113.55 117.24 2k21 h SER 102 Ca -0.30 -0.24 -0.04 0.00 -0.47 0.00 0.00 61.79 60.74 2k21 h SER 102 Cb 2.02 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 63.94 2k21 h SER 102 CO 0.18 0.89 0.22 0.22 -0.87 0.00 0.00 176.83 177.46 2k21 h TYR 103 N 0.38 0.93 0.00 4.77 3.20 0.15 1.41 116.97 127.81 2k21 h TYR 103 Ca 0.02 -0.07 -0.20 0.00 3.14 0.00 0.00 58.73 61.63 2k21 h TYR 103 Cb 0.95 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2k21 h TYR 103 CO 0.03 0.73 -0.88 -0.22 -1.64 0.00 0.00 178.16 176.19 2k21 h LYS 104 N 0.90 0.19 0.00 1.82 3.64 -1.49 -3.29 116.57 118.34 2k21 h LYS 104 Ca 0.21 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2k21 h LYS 104 Cb 0.22 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2k21 h LYS 104 CO -0.01 0.95 -0.69 1.03 -2.27 0.00 0.00 179.45 178.46 2k21 h SER 105 N 0.11 0.00 0.33 4.20 0.87 -0.62 -3.34 113.55 115.10 2k21 h SER 105 Ca -0.04 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2k21 h SER 105 Cb 1.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 2k21 h SER 105 CO 0.13 0.08 0.00 0.00 -0.53 0.00 0.00 176.83 176.52 2k21 h TYR 107 N 0.00 1.13 -2.64 0.00 3.20 -1.70 -3.44 116.97 113.53 2k21 h TYR 107 Ca 0.00 -0.26 -0.58 0.00 3.14 0.00 0.00 58.73 61.03 2k21 h TYR 107 Cb 0.17 -0.27 -0.10 0.00 1.54 0.00 0.00 36.73 38.07 2k21 h TYR 107 CO 0.00 1.08 -0.64 0.14 -1.64 0.00 0.00 178.16 177.10 2k21 s VAL 108 N -4.73 3.73 0.15 1.81 -7.23 -1.17 -5.16 120.40 107.80 2k21 s VAL 108 Ca -0.11 -1.54 0.09 0.00 -1.81 0.00 0.00 61.98 58.60 2k21 s VAL 108 Cb 0.13 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 2k21 s VAL 108 CO 0.87 -0.20 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.57 2k21 s VAL 109 N -1.92 1.86 0.18 1.32 1.01 -1.26 -4.98 120.40 116.61 2k21 s VAL 109 Ca 0.29 -1.82 -0.10 0.00 0.00 0.00 0.00 61.98 60.35 2k21 s VAL 109 Cb -0.08 -1.80 0.07 0.00 0.00 0.00 0.00 36.38 34.57 2k21 s VAL 109 CO 0.20 -0.21 1.66 1.05 0.00 0.00 0.00 175.10 177.80 2k21 h GLU 110 N 3.50 1.05 -4.80 2.72 9.09 -2.01 -3.42 114.58 120.71 2k21 h GLU 110 Ca -0.44 -0.30 -0.62 0.00 0.05 0.00 0.00 59.36 58.05 2k21 h GLU 110 Cb 1.20 -0.11 -0.35 0.00 -1.65 0.00 0.00 28.75 27.83 2k21 h GLU 110 CO 0.47 0.99 -0.84 -0.80 0.05 0.00 0.00 179.01 178.88 2k21 s ASN 111 N -6.47 2.75 -0.02 3.06 -0.87 -1.26 -5.12 114.94 107.02 2k21 s ASN 111 Ca -0.12 -0.51 -0.30 0.00 -1.57 0.00 0.00 52.86 50.36 2k21 s ASN 111 Cb 0.14 -1.24 -0.07 0.00 -0.02 0.00 0.00 41.25 40.06 2k21 s ASN 111 CO 0.84 -0.02 1.72 -1.38 -2.57 0.00 0.00 177.10 175.69 2k21 s HIS 112 N 1.29 1.90 0.35 2.20 -3.43 -1.26 -5.02 115.29 111.31 2k21 s HIS 112 Ca 0.02 0.07 -0.27 0.00 -0.80 0.00 0.00 55.06 54.08 2k21 s HIS 112 Cb -0.13 -3.99 -0.09 0.00 -1.43 0.00 0.00 32.58 26.93 2k21 s HIS 112 CO -0.08 -4.22 1.19 -0.51 -2.00 0.00 0.00 174.74 169.12 2k21 s LEU 113 N 3.91 4.36 0.40 5.38 2.01 -1.26 -4.99 118.68 128.49 2k21 s LEU 113 Ca 0.77 2.43 0.20 0.00 0.01 0.00 0.00 54.13 57.54 2k21 s LEU 113 Cb -0.36 -3.80 0.79 0.00 0.01 0.00 0.00 46.19 42.82 2k21 s LEU 113 CO 0.32 -0.48 1.78 0.00 1.01 0.00 0.00 176.35 178.98 2k21 h ALA 114 N 3.19 1.03 0.00 4.21 0.00 -1.95 -2.82 119.26 122.92 2k21 h ALA 114 Ca -0.48 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2k21 h ALA 114 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k21 h ALA 114 CO 0.65 0.40 -0.26 0.82 0.00 0.00 0.00 179.25 180.85 2k21 h ILE 115 N 0.00 0.00 -2.19 0.00 5.03 -1.97 -3.46 117.51 114.91 2k21 h ILE 115 Ca -0.00 -0.65 -0.49 0.00 -0.12 0.00 0.00 64.86 63.59 2k21 h ILE 115 Cb 0.81 1.50 -0.04 0.00 -3.03 0.00 0.00 36.82 36.06 2k21 h ILE 115 CO 0.04 0.00 -0.50 -0.70 -0.68 0.00 0.00 178.15 176.31 2k21 s GLU 116 N -3.17 3.07 0.67 2.37 2.12 -1.06 -5.14 118.70 117.55 2k21 s GLU 116 Ca 0.08 -0.98 -0.16 0.00 0.36 0.00 0.00 54.97 54.27 2k21 s GLU 116 Cb 0.11 -2.65 0.01 0.00 0.26 0.00 0.00 34.13 31.85 2k21 s GLU 116 CO 0.66 0.40 1.17 1.14 -0.54 0.00 0.00 175.26 178.10 2k21 s GLN 117 N -3.88 2.57 0.18 4.30 -2.07 -1.26 -4.71 119.66 114.79 2k21 s GLN 117 Ca 0.33 1.63 -0.30 0.00 -1.82 0.00 0.00 55.36 55.20 2k21 s GLN 117 Cb -0.08 -1.90 -0.08 0.00 -1.09 0.00 0.00 33.01 29.86 2k21 s GLN 117 CO 0.26 -1.48 1.24 -1.25 -1.32 0.00 0.00 175.29 172.75 2k21 s PRO 118 N -3.85 4.44 0.02 9.60 0.04 -1.26 -4.85 135.00 139.14 2k21 s PRO 118 Ca 0.72 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.72 2k21 s PRO 118 Cb -0.26 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 2k21 s PRO 118 CO 0.41 -0.17 0.02 -0.80 0.04 0.00 0.00 177.00 176.50 2k21 s ASN 119 N 0.27 5.21 -0.17 6.66 0.02 -1.26 -5.11 114.94 120.55 2k21 s ASN 119 Ca 0.55 -0.01 -0.29 0.00 -1.02 0.00 0.00 52.86 52.09 2k21 s ASN 119 Cb -0.34 -1.37 -0.04 0.00 0.02 0.00 0.00 41.25 39.52 2k21 s ASN 119 CO 0.37 0.26 1.84 0.28 0.02 0.00 0.00 177.10 179.87 2k21 s THR 120 N -1.15 3.38 -0.17 1.60 -1.32 -1.26 -5.02 115.64 111.70 2k21 s THR 120 Ca 0.21 0.43 -0.23 0.00 -1.21 0.00 0.00 61.69 60.89 2k21 s THR 120 Cb -0.12 -3.39 -0.02 0.00 -1.51 0.00 0.00 72.50 67.46 2k21 s THR 120 CO 0.13 -0.17 0.74 -1.00 -2.21 0.00 0.00 174.62 172.11 2k21 s HIS 121 N 5.85 3.42 0.15 9.09 0.09 -1.26 -5.06 115.29 127.57 2k21 s HIS 121 Ca 0.82 1.13 0.01 0.00 -0.00 0.00 0.00 55.06 57.03 2k21 s HIS 121 Cb -0.30 -2.91 -0.04 0.00 -0.00 0.00 0.00 32.58 29.33 2k21 s HIS 121 CO 0.33 -0.18 0.29 -0.48 -0.00 0.00 0.00 174.74 174.71 2k21 s LEU 122 N 1.93 4.32 0.06 0.89 2.34 -1.26 -5.10 118.68 121.86 2k21 s LEU 122 Ca 0.35 0.23 -0.31 0.00 0.06 0.00 0.00 54.13 54.46 2k21 s LEU 122 Cb -0.16 -2.97 -0.08 0.00 -0.56 0.00 0.00 46.19 42.42 2k21 s LEU 122 CO 0.12 0.05 1.56 -2.16 -1.06 0.00 0.00 176.35 174.86 2k21 s PRO 123 N -3.14 4.23 0.04 1.48 0.04 -1.26 -5.04 135.00 131.35 2k21 s PRO 123 Ca 0.35 2.22 -0.01 0.00 0.04 0.00 0.00 61.00 63.61 2k21 s PRO 123 Cb -0.11 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 2k21 s PRO 123 CO 0.28 -0.66 0.20 -2.00 0.04 0.00 0.00 177.00 174.86 2k21 s GLU 124 N 2.36 3.42 0.26 4.56 2.12 -1.26 -5.16 118.70 125.00 2k21 s GLU 124 Ca 0.70 -0.42 0.10 0.00 0.36 0.00 0.00 54.97 55.71 2k21 s GLU 124 Cb -0.38 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 2k21 s GLU 124 CO 0.30 0.62 -0.06 -0.08 -0.54 0.00 0.00 175.26 175.50 2k21 s THR 125 N -1.46 3.17 0.37 -1.70 -1.32 -1.26 -5.16 115.64 108.28 2k21 s THR 125 Ca 0.33 -2.01 -0.27 0.00 -1.21 0.00 0.00 61.69 58.53 2k21 s THR 125 Cb -0.13 -2.67 -0.09 0.00 -1.51 0.00 0.00 72.50 68.10 2k21 s THR 125 CO 0.25 -0.35 1.22 -0.54 -2.21 0.00 0.00 174.62 172.99 2k21 s LYS 126 N -3.54 4.20 0.09 7.08 3.01 -1.26 -4.99 119.74 124.32 2k21 s LYS 126 Ca 0.30 1.98 -0.31 0.00 -1.01 0.00 0.00 55.97 56.94 2k21 s LYS 126 Cb -0.06 -2.86 -0.09 0.00 -1.01 0.00 0.00 37.83 33.81 2k21 s LYS 126 CO 0.18 -0.24 1.71 -1.25 0.51 0.00 0.00 175.35 176.26 2k21 s PRO 127 N -2.04 4.18 0.23 -1.68 0.04 -1.26 -5.04 135.00 129.43 2k21 s PRO 127 Ca 0.53 2.41 -0.17 0.00 0.04 0.00 0.00 61.00 63.82 2k21 s PRO 127 Cb -0.34 -3.60 -0.08 0.00 0.04 0.00 0.00 34.50 30.51 2k21 s PRO 127 CO 0.44 -0.77 0.68 -1.12 0.04 0.00 0.00 177.00 176.28 2k21 s SER 128 N 2.52 6.92 0.00 6.66 0.01 -1.26 -5.35 113.70 123.20 2k21 s SER 128 Ca 0.76 1.29 0.20 0.00 1.31 0.00 0.00 55.95 59.51 2k21 s SER 128 Cb -0.42 -2.37 1.19 0.00 0.21 0.00 0.00 66.02 64.63 2k21 s SER 128 CO 0.34 -0.02 1.58 -0.81 0.41 0.00 0.00 173.24 174.73