#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 1.28 0.06 2.02 6.09 -1.99 0.19 117.51 125.15 2k21 h ILE 2 Ca 0.00 -1.91 -0.25 0.00 -1.37 0.00 0.00 64.86 61.33 2k21 h ILE 2 Cb 0.00 1.89 0.00 0.00 0.47 0.00 0.00 36.82 39.18 2k21 h ILE 2 CO 0.00 0.61 -1.07 0.25 -3.07 0.00 0.00 178.15 174.87 2k21 h LEU 3 N 0.58 0.49 -2.97 2.19 5.85 -2.02 -3.27 115.31 116.15 2k21 h LEU 3 Ca -0.04 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2k21 h LEU 3 Cb 1.34 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2k21 h LEU 3 CO 0.15 1.28 0.00 -1.20 -0.34 0.00 0.00 178.44 178.33 2k21 n SER 4 N -3.66 4.64 -0.15 1.25 7.64 -1.22 -4.41 113.62 117.71 2k21 n SER 4 Ca -0.08 -2.58 -0.07 0.00 1.01 0.00 0.00 58.87 57.15 2k21 n SER 4 Cb 0.91 -0.60 0.09 0.00 -1.01 0.00 0.00 64.21 63.60 2k21 n SER 4 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k21 h ASN 5 N 3.54 0.90 0.38 6.43 -0.00 -0.68 -1.88 115.58 124.27 2k21 h ASN 5 Ca 0.00 -0.26 -0.12 0.00 -0.00 0.00 0.00 56.30 55.92 2k21 h ASN 5 Cb 1.53 -0.24 -0.01 0.00 -0.00 0.00 0.00 38.32 39.59 2k21 h ASN 5 CO 0.31 0.99 -0.51 0.00 -0.00 0.00 0.00 177.43 178.21 2k21 h THR 6 N 0.84 1.36 0.00 6.14 1.03 -1.82 1.15 112.91 121.60 2k21 h THR 6 Ca 0.15 -1.77 -0.13 0.00 -0.01 0.00 0.00 66.41 64.64 2k21 h THR 6 Cb 0.56 1.89 -0.02 0.00 -1.07 0.00 0.00 68.15 69.51 2k21 h THR 6 CO 0.03 0.52 -0.76 0.71 -0.01 0.00 0.00 175.52 176.01 2k21 h THR 7 N 0.12 0.90 0.10 0.00 1.35 -1.83 -2.96 112.91 110.60 2k21 h THR 7 Ca 0.00 -2.34 -0.30 0.00 -0.55 0.00 0.00 66.41 63.22 2k21 h THR 7 Cb 0.95 2.40 -0.01 0.00 -1.73 0.00 0.00 68.15 69.76 2k21 h THR 7 CO 0.07 0.52 -1.53 0.00 -0.25 0.00 0.00 175.52 174.33 2k21 h ALA 8 N 1.41 0.32 0.00 6.62 0.00 -0.20 -3.37 119.26 124.05 2k21 h ALA 8 Ca -0.04 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.73 2k21 h ALA 8 Cb 1.48 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2k21 h ALA 8 CO 0.07 1.19 0.00 0.28 0.00 0.00 0.00 179.25 180.79 2k21 n VAL 9 N -3.41 0.97 -1.55 0.00 0.31 0.38 -4.67 118.33 110.35 2k21 n VAL 9 Ca -0.16 0.25 -0.45 0.00 -0.01 0.00 0.00 64.34 63.97 2k21 n VAL 9 Cb 1.04 -1.03 -0.02 0.00 -0.91 0.00 0.00 33.84 32.92 2k21 n VAL 9 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2k21 n THR 10 N -1.64 2.00 0.29 2.52 5.66 -1.12 -4.86 114.28 117.13 2k21 n THR 10 Ca 0.03 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.63 2k21 n THR 10 Cb 0.18 -0.80 0.43 0.00 -1.55 0.00 0.00 70.33 68.60 2k21 n THR 10 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2k21 n PRO 11 N 0.76 0.13 0.19 1.09 -0.04 -1.26 -1.91 135.00 133.96 2k21 n PRO 11 Ca 0.11 0.47 0.06 0.00 -0.04 0.00 0.00 63.50 64.10 2k21 n PRO 11 Cb 0.31 -1.80 0.36 0.00 -0.04 0.00 0.00 33.50 32.33 2k21 n PRO 11 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2k21 h PHE 12 N 0.00 0.00 -0.42 0.54 0.04 -1.94 -3.10 116.94 112.06 2k21 h PHE 12 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 2k21 h PHE 12 Cb 0.19 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 2k21 h PHE 12 CO 0.00 0.36 0.08 1.25 -0.60 0.00 0.00 178.31 179.40 2k21 h LEU 13 N 0.00 0.59 -1.84 1.54 5.85 -1.65 -3.05 115.31 116.74 2k21 h LEU 13 Ca -0.00 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.73 2k21 h LEU 13 Cb 0.86 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2k21 h LEU 13 CO 0.05 0.61 0.34 0.74 -0.34 0.00 0.00 178.44 179.84 2k21 h THR 14 N 0.62 0.84 0.11 1.05 2.02 -1.72 0.93 112.91 116.76 2k21 h THR 14 Ca 0.14 -0.06 -0.24 0.00 0.77 0.00 0.00 66.41 67.02 2k21 h THR 14 Cb 0.27 0.65 0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2k21 h THR 14 CO 0.00 0.03 -1.00 0.50 0.37 0.00 0.00 175.52 175.43 2k21 h LYS 15 N 0.17 0.48 -0.23 6.66 3.64 -1.72 -2.13 116.57 123.44 2k21 h LYS 15 Ca 0.23 -0.66 -0.09 0.00 -1.27 0.00 0.00 60.65 58.85 2k21 h LYS 15 Cb 0.67 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2k21 h LYS 15 CO -0.04 1.29 -0.25 1.25 -2.27 0.00 0.00 179.45 179.43 2k21 h LEU 16 N -0.01 0.43 -0.27 5.20 5.85 -0.48 -1.60 115.31 124.44 2k21 h LEU 16 Ca -0.16 -0.14 -0.20 0.00 0.84 0.00 0.00 57.88 58.22 2k21 h LEU 16 Cb 1.72 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.64 2k21 h LEU 16 CO 0.19 0.68 -0.66 -0.25 -0.34 0.00 0.00 178.44 178.06 2k21 h TRP 17 N 0.39 1.01 0.39 1.25 2.91 0.67 0.56 115.95 123.13 2k21 h TRP 17 Ca 0.06 -0.40 -0.02 0.00 1.13 0.00 0.00 58.89 59.66 2k21 h TRP 17 Cb 0.64 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.12 2k21 h TRP 17 CO 0.02 1.22 -0.19 0.37 -1.03 0.00 0.00 178.44 178.83 2k21 h GLN 18 N 0.57 -0.51 -0.48 2.65 4.15 -1.45 -2.57 115.11 117.47 2k21 h GLN 18 Ca -0.02 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2k21 h GLN 18 Cb 1.27 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 29.05 2k21 h GLN 18 CO 0.14 -0.29 0.28 0.93 -1.93 0.00 0.00 178.83 177.96 2k21 h GLU 19 N -0.61 0.65 -0.44 1.69 5.08 -1.05 0.22 114.58 120.11 2k21 h GLU 19 Ca -0.05 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 2k21 h GLU 19 Cb 0.45 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2k21 h GLU 19 CO 0.09 0.47 -0.20 1.15 -1.00 0.00 0.00 179.01 179.51 2k21 h THR 20 N 0.66 1.27 0.17 1.13 2.02 0.14 0.23 112.91 118.53 2k21 h THR 20 Ca 0.17 -1.34 -0.30 0.00 0.77 0.00 0.00 66.41 65.71 2k21 h THR 20 Cb -0.01 1.15 0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2k21 h THR 20 CO -0.03 0.46 -1.44 0.58 0.37 0.00 0.00 175.52 175.46 2k21 h VAL 21 N 0.77 1.12 0.01 3.16 2.07 -0.83 -2.73 116.25 119.82 2k21 h VAL 21 Ca 0.11 -2.51 -0.14 0.00 0.82 0.00 0.00 66.70 64.97 2k21 h VAL 21 Cb 0.75 2.87 0.01 0.00 -1.52 0.00 0.00 31.29 33.40 2k21 h VAL 21 CO 0.06 0.78 -0.57 -0.61 0.02 0.00 0.00 177.57 177.25 2k21 h GLN 22 N -0.10 0.37 0.11 1.57 5.75 -0.48 -3.31 115.11 119.02 2k21 h GLN 22 Ca -0.28 -0.41 -0.31 0.00 -0.15 0.00 0.00 58.65 57.50 2k21 h GLN 22 Cb 1.93 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 30.59 2k21 h GLN 22 CO 0.15 1.09 -1.56 0.37 -2.65 0.00 0.00 178.83 176.24 2k21 h GLN 23 N -0.19 0.24 0.00 1.69 4.15 -0.74 -3.49 115.11 116.78 2k21 h GLN 23 Ca -0.07 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 58.94 2k21 h GLN 23 Cb 1.29 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.14 2k21 h GLN 23 CO 0.11 1.09 0.00 0.41 -1.93 0.00 0.00 178.83 178.51 2k21 n GLY 24 N 1.67 0.53 3.69 2.39 0.00 -1.04 -4.34 105.19 108.10 2k21 n GLY 24 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 -0.47 0.06 -0.02 0.00 -1.17 -4.89 105.19 96.70 2k21 n GLY 25 Ca 0.00 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.40 0.40 0.26 1.61 3.02 -1.26 -2.36 115.26 114.53 2k21 n ASN 26 Ca 0.03 0.56 0.10 0.00 -0.03 0.00 0.00 54.58 55.23 2k21 n ASN 26 Cb 0.52 -0.66 0.68 0.00 -0.61 0.00 0.00 39.78 39.70 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 -0.46 3.52 4.05 -1.92 -2.42 114.93 117.69 2k21 h MET 27 Ca 0.00 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 2k21 h MET 27 Cb 0.51 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 2k21 h MET 27 CO 0.00 0.10 0.02 0.66 0.23 0.00 0.00 176.91 177.91 2k21 h SER 28 N 0.00 0.71 0.00 1.39 4.64 -1.88 -3.47 113.55 114.94 2k21 h SER 28 Ca -0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2k21 h SER 28 Cb 0.20 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2k21 h SER 28 CO 0.01 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 2k21 n GLY 29 N -0.72 1.84 0.00 -0.77 0.00 -0.91 -5.04 105.19 99.59 2k21 n GLY 29 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.00 0.99 7.94 -1.24 -3.43 117.00 121.26 2k21 n LEU 30 Ca 0.00 0.38 0.10 0.00 -1.11 0.00 0.00 56.01 55.37 2k21 n LEU 30 Cb 0.00 -0.38 0.44 0.00 0.53 0.00 0.00 43.42 44.02 2k21 n LEU 30 CO 0.00 -0.02 0.81 0.00 -1.11 0.00 0.00 177.39 177.07 2k21 n ALA 31 N -1.38 1.94 -0.11 1.96 0.00 -1.26 -3.75 120.51 117.92 2k21 n ALA 31 Ca 0.11 -0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.29 2k21 n ALA 31 Cb 0.27 -1.32 -0.12 0.00 0.00 0.00 0.00 19.45 18.27 2k21 n ALA 31 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2k21 n ARG 32 N -1.44 0.67 -3.85 0.00 0.63 -1.22 -4.93 116.66 106.52 2k21 n ARG 32 Ca 0.06 0.16 -0.33 0.00 -0.92 0.00 0.00 57.85 56.82 2k21 n ARG 32 Cb 0.21 -1.54 -0.05 0.00 0.45 0.00 0.00 32.46 31.53 2k21 n ARG 32 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2k21 s ARG 33 N -2.52 3.49 0.32 -0.14 3.52 -1.25 -5.15 118.95 117.23 2k21 s ARG 33 Ca -0.32 -0.25 -0.17 0.00 -0.13 0.00 0.00 55.73 54.86 2k21 s ARG 33 Cb 0.09 -3.06 -0.09 0.00 -1.56 0.00 0.00 34.95 30.33 2k21 s ARG 33 CO 0.63 0.64 0.77 0.45 -0.81 0.00 0.00 175.30 176.98 2k21 s SER 34 N -2.03 6.86 0.00 -2.12 0.15 -1.26 -4.91 113.70 110.39 2k21 s SER 34 Ca 0.30 1.38 0.18 0.00 0.70 0.00 0.00 55.95 58.51 2k21 s SER 34 Cb -0.13 -2.41 1.08 0.00 -1.71 0.00 0.00 66.02 62.85 2k21 s SER 34 CO 0.20 -0.19 1.51 -0.81 1.20 0.00 0.00 173.24 175.15 2k21 n PRO 35 N -0.23 0.53 -2.18 5.44 -0.04 -1.26 -4.82 135.00 132.45 2k21 n PRO 35 Ca 0.03 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 2k21 n PRO 35 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2k21 n PRO 35 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2k21 s ARG 36 N -2.08 4.28 -0.02 0.54 3.52 -1.26 -4.96 118.95 118.97 2k21 s ARG 36 Ca 0.26 2.03 -0.05 0.00 -0.13 0.00 0.00 55.73 57.84 2k21 s ARG 36 Cb 0.13 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 2k21 s ARG 36 CO 0.22 -0.56 -0.11 0.43 -0.81 0.00 0.00 175.30 174.48 2k21 n SER 37 N 5.09 0.98 0.00 -2.12 7.64 -1.26 -5.17 113.62 118.79 2k21 n SER 37 Ca 0.13 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2k21 n SER 37 Cb 0.43 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 2.57 -0.59 3.69 0.23 0.00 -1.26 -5.14 105.19 104.70 2k21 n GLY 38 Ca -0.04 0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 2k21 n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k21 n ASP 39 N 0.00 3.57 -4.51 1.61 5.68 -1.26 -4.83 116.55 116.81 2k21 n ASP 39 Ca 0.00 1.07 -0.34 0.00 -0.50 0.00 0.00 54.79 55.01 2k21 n ASP 39 Cb 0.00 -1.50 -0.14 0.00 -1.14 0.00 0.00 41.12 38.34 2k21 n ASP 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k21 n GLY 40 N 3.73 -0.34 0.08 6.12 0.00 -1.26 -4.83 105.19 108.69 2k21 n GLY 40 Ca 0.17 0.78 -0.09 0.00 0.00 0.00 0.00 46.02 46.88 2k21 n GLY 40 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k21 h LYS 41 N 13.35 0.02 0.00 1.61 3.11 -2.02 -3.34 116.57 129.31 2k21 h LYS 41 Ca -0.07 -0.04 -0.11 0.00 -2.81 0.00 0.00 60.65 57.63 2k21 h LYS 41 Cb 1.25 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.48 2k21 h LYS 41 CO 1.36 0.73 -0.50 -0.07 -2.81 0.00 0.00 179.45 178.16 2k21 h LEU 42 N 0.01 0.00 -0.88 5.20 4.07 -1.98 -2.98 115.31 118.75 2k21 h LEU 42 Ca -0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.77 2k21 h LEU 42 Cb 1.93 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.67 2k21 h LEU 42 CO 0.10 0.50 0.00 -0.62 -1.08 0.00 0.00 178.44 177.35 2k21 n GLU 43 N -3.54 0.16 0.00 1.13 1.02 -1.25 -2.22 120.64 115.93 2k21 n GLU 43 Ca -0.00 0.49 0.03 0.00 -0.02 0.00 0.00 57.16 57.65 2k21 n GLU 43 Cb 0.60 -1.87 0.15 0.00 -0.02 0.00 0.00 31.44 30.31 2k21 n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k21 n ALA 44 N -1.75 2.14 -1.91 0.62 0.00 -1.13 -4.94 120.51 113.54 2k21 n ALA 44 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 2k21 n ALA 44 Cb 0.15 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.63 -3.87 0.29 0.00 4.77 -0.94 -4.43 117.00 112.19 2k21 n LEU 45 Ca 0.04 1.07 0.16 0.00 -0.03 0.00 0.00 56.01 57.25 2k21 n LEU 45 Cb 0.02 -2.01 0.92 0.00 -2.33 0.00 0.00 43.42 40.01 2k21 n LEU 45 CO 0.03 -1.71 1.13 0.22 -1.33 0.00 0.00 177.39 175.73 2k21 h TYR 46 N 1.83 0.00 0.15 -1.77 3.20 -1.90 -2.76 116.97 115.72 2k21 h TYR 46 Ca -0.21 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.65 2k21 h TYR 46 Cb 0.48 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.75 2k21 h TYR 46 CO 0.00 0.00 -0.07 0.28 -1.64 0.00 0.00 178.16 176.73 2k21 h VAL 47 N 0.00 0.27 -0.26 1.81 2.07 -1.94 -0.35 116.25 117.85 2k21 h VAL 47 Ca 0.01 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 2k21 h VAL 47 Cb 0.06 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2k21 h VAL 47 CO -0.00 0.08 -0.05 0.25 0.02 0.00 0.00 177.57 177.87 2k21 h LEU 48 N -1.03 0.38 -0.12 2.57 5.85 -1.85 -2.38 115.31 118.73 2k21 h LEU 48 Ca -0.02 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 2k21 h LEU 48 Cb 0.29 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2k21 h LEU 48 CO 0.03 0.49 -0.25 -0.03 -0.34 0.00 0.00 178.44 178.34 2k21 h MET 49 N 0.39 0.38 -0.72 1.25 4.05 -1.57 -3.26 114.93 115.44 2k21 h MET 49 Ca 0.08 -0.25 0.15 0.00 -0.28 0.00 0.00 59.70 59.40 2k21 h MET 49 Cb 0.34 0.03 -0.10 0.00 -0.80 0.00 0.00 31.60 31.07 2k21 h MET 49 CO 0.01 0.85 0.21 0.28 0.23 0.00 0.00 176.91 178.49 2k21 h VAL 50 N -0.04 0.57 -0.66 -5.77 2.07 -0.86 -0.10 116.25 111.45 2k21 h VAL 50 Ca 0.00 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.42 2k21 h VAL 50 Cb 0.84 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2k21 h VAL 50 CO 0.06 0.06 0.44 0.25 0.02 0.00 0.00 177.57 178.39 2k21 h LEU 51 N 0.32 0.76 0.33 2.57 5.85 -1.54 2.42 115.31 126.02 2k21 h LEU 51 Ca 0.40 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 2k21 h LEU 51 Cb 0.66 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2k21 h LEU 51 CO -0.47 0.55 -0.23 1.23 -0.34 0.00 0.00 178.44 179.18 2k21 h GLY 52 N 0.90 -0.58 0.94 3.75 0.00 -1.46 -1.74 103.07 104.89 2k21 h GLY 52 Ca 0.24 0.26 -0.15 0.00 0.00 0.00 0.00 47.33 47.69 2k21 h GLY 52 CO -0.05 -0.23 -0.46 0.74 0.00 0.00 0.00 176.54 176.54 2k21 h PHE 53 N -0.55 0.79 -0.34 5.60 -1.00 0.85 -2.52 116.94 119.77 2k21 h PHE 53 Ca -0.03 -0.31 0.07 0.00 2.81 0.00 0.00 57.97 60.51 2k21 h PHE 53 Cb 0.47 -0.14 -0.07 0.00 3.61 0.00 0.00 35.95 39.83 2k21 h PHE 53 CO -0.11 1.08 -0.09 0.35 -1.61 0.00 0.00 178.31 177.93 2k21 h PHE 54 N 0.27 -0.20 -0.33 -0.55 3.57 0.40 0.16 116.94 120.26 2k21 h PHE 54 Ca -0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2k21 h PHE 54 Cb 1.08 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 2k21 h PHE 54 CO 0.10 -0.15 -0.07 0.78 -2.23 0.00 0.00 178.31 176.73 2k21 h GLY 55 N -0.01 0.59 0.56 2.40 0.00 -0.89 0.28 103.07 106.01 2k21 h GLY 55 Ca 0.16 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 2k21 h GLY 55 CO -0.35 0.36 -0.46 0.74 0.00 0.00 0.00 176.54 176.82 2k21 h PHE 56 N 0.51 0.40 0.00 5.60 0.04 -1.41 -3.20 116.94 118.89 2k21 h PHE 56 Ca 0.10 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 2k21 h PHE 56 Cb 0.45 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 2k21 h PHE 56 CO 0.02 1.10 -0.08 0.35 -0.60 0.00 0.00 178.31 179.09 2k21 h PHE 57 N -0.40 0.00 -0.17 -0.55 3.04 0.85 1.12 116.94 120.83 2k21 h PHE 57 Ca -0.07 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.83 2k21 h PHE 57 Cb 1.25 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.76 2k21 h PHE 57 CO 0.18 0.08 -0.09 1.15 -2.02 0.00 0.00 178.31 177.62 2k21 h THR 58 N 0.00 1.31 0.00 4.41 2.02 -0.56 -2.44 112.91 117.65 2k21 h THR 58 Ca -0.00 -1.14 -0.06 0.00 0.77 0.00 0.00 66.41 65.98 2k21 h THR 58 Cb 0.15 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2k21 h THR 58 CO 0.01 0.34 -0.28 0.25 0.37 0.00 0.00 175.52 176.21 2k21 h LEU 59 N 0.03 0.00 0.00 2.58 7.12 -1.51 -3.16 115.31 120.36 2k21 h LEU 59 Ca 0.04 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.05 2k21 h LEU 59 Cb 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 2k21 h LEU 59 CO 0.03 0.28 0.00 0.61 -0.13 0.00 0.00 178.44 179.22 2k21 n GLY 60 N 0.88 -0.91 0.36 3.75 0.00 0.38 -1.71 105.19 107.94 2k21 n GLY 60 Ca 0.02 -0.07 0.27 0.00 0.00 0.00 0.00 46.02 46.25 2k21 n GLY 60 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2k21 h ILE 61 N 0.00 0.24 0.00 -0.61 2.10 -1.43 -2.17 117.51 115.63 2k21 h ILE 61 Ca 0.00 -0.08 -0.01 0.00 1.08 0.00 0.00 64.86 65.85 2k21 h ILE 61 Cb 0.20 -0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 35.91 2k21 h ILE 61 CO 0.00 0.04 -0.04 0.24 -1.08 0.00 0.00 178.15 177.32 2k21 h MET 62 N 0.24 0.00 -0.99 2.19 2.86 -1.62 -0.87 114.93 116.73 2k21 h MET 62 Ca 0.76 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 58.44 2k21 h MET 62 Cb 1.92 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.52 2k21 h MET 62 CO -0.57 0.04 0.65 -0.07 1.06 0.00 0.00 176.91 178.02 2k21 h LEU 63 N 0.00 1.07 -0.49 1.22 3.38 -1.63 0.56 115.31 119.42 2k21 h LEU 63 Ca -0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2k21 h LEU 63 Cb 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2k21 h LEU 63 CO 0.00 0.72 -0.41 -1.28 0.09 0.00 0.00 178.44 177.57 2k21 h SER 64 N 1.23 0.84 -0.14 -0.43 0.87 -1.33 0.46 113.55 115.06 2k21 h SER 64 Ca 0.40 -0.39 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 2k21 h SER 64 Cb 0.04 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2k21 h SER 64 CO -0.13 1.14 -0.28 1.88 -0.53 0.00 0.00 176.83 178.91 2k21 h TYR 65 N 0.64 0.55 0.00 2.24 -1.99 -1.36 -3.22 116.97 113.83 2k21 h TYR 65 Ca 0.05 -0.20 -0.00 0.00 2.00 0.00 0.00 58.73 60.58 2k21 h TYR 65 Cb 0.97 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.60 2k21 h TYR 65 CO 0.05 0.90 -0.00 0.82 -0.00 0.00 0.00 178.16 179.93 2k21 h ILE 66 N 0.03 0.01 -0.15 -2.88 2.04 0.21 -3.08 117.51 113.69 2k21 h ILE 66 Ca 0.00 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 2k21 h ILE 66 Cb 0.87 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 2k21 h ILE 66 CO 0.06 0.00 -0.16 -0.09 0.00 0.00 0.00 178.15 177.96 2k21 h ARG 67 N 0.00 0.38 0.00 2.37 9.65 -0.16 0.14 114.38 126.76 2k21 h ARG 67 Ca -0.00 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 58.67 2k21 h ARG 67 Cb 0.46 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.05 2k21 h ARG 67 CO 0.00 0.77 -0.03 1.03 2.80 0.00 0.00 179.97 184.54 2k21 h SER 68 N 0.01 0.00 0.10 -3.80 0.87 -1.54 -1.87 113.55 107.33 2k21 h SER 68 Ca 0.02 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.23 2k21 h SER 68 Cb 0.70 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2k21 h SER 68 CO 0.04 0.03 -1.96 0.29 -0.53 0.00 0.00 176.83 174.70 2k21 n LYS 69 N -3.50 0.73 0.00 2.24 5.02 -1.14 -4.29 118.16 117.22 2k21 n LYS 69 Ca -0.02 0.29 0.09 0.00 -2.02 0.00 0.00 58.31 56.64 2k21 n LYS 69 Cb 0.13 -1.70 0.46 0.00 -0.02 0.00 0.00 35.03 33.90 2k21 n LYS 69 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k21 n LYS 70 N -3.59 0.33 0.00 1.97 4.81 0.46 -2.41 118.16 119.73 2k21 n LYS 70 Ca -0.33 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.20 2k21 n LYS 70 Cb 1.00 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.55 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 -1.21 0.06 0.33 3.14 7.94 -0.73 -2.56 117.00 123.97 2k21 n LEU 71 Ca 0.10 -0.03 0.21 0.00 -1.11 0.00 0.00 56.01 55.18 2k21 n LEU 71 Cb 0.12 -0.03 1.14 0.00 0.53 0.00 0.00 43.42 45.18 2k21 n LEU 71 CO 0.12 0.01 1.18 -0.33 -1.11 0.00 0.00 177.39 177.26 2k21 h GLU 72 N 0.11 0.00 -6.98 1.96 5.08 -1.81 -3.44 114.58 109.50 2k21 h GLU 72 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2k21 h GLU 72 Cb 0.03 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.39 2k21 h GLU 72 CO 0.00 0.00 0.67 -1.01 -1.00 0.00 0.00 179.01 177.67 2k21 s HIS 73 N -4.21 2.53 -0.09 4.33 3.76 -1.06 -4.97 115.29 115.58 2k21 s HIS 73 Ca -0.05 1.30 -0.29 0.00 -0.15 0.00 0.00 55.06 55.87 2k21 s HIS 73 Cb 0.13 -3.85 -0.06 0.00 1.11 0.00 0.00 32.58 29.90 2k21 s HIS 73 CO 0.41 -2.74 1.97 -1.12 -0.85 0.00 0.00 174.74 172.41 2k21 s SER 74 N -0.60 6.14 1.08 1.40 0.01 -1.26 -5.02 113.70 115.45 2k21 s SER 74 Ca 0.61 2.22 -0.17 0.00 1.31 0.00 0.00 55.95 59.92 2k21 s SER 74 Cb -0.42 -2.52 0.09 0.00 0.21 0.00 0.00 66.02 63.37 2k21 s SER 74 CO 0.54 -1.37 0.10 -0.46 0.41 0.00 0.00 173.24 172.46 2k21 n ASN 75 N 8.98 -2.32 -4.27 2.44 0.23 -1.26 -5.04 115.26 114.03 2k21 n ASN 75 Ca 0.23 -0.01 -0.44 0.00 -0.53 0.00 0.00 54.58 53.83 2k21 n ASN 75 Cb 0.43 -1.02 -0.06 0.00 -2.08 0.00 0.00 39.78 37.05 2k21 n ASN 75 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 2k21 s ASP 76 N -1.88 6.02 0.44 0.53 -4.77 -1.26 -4.99 116.67 110.77 2k21 s ASP 76 Ca 0.56 -1.92 0.30 0.00 -3.30 0.00 0.00 52.55 48.19 2k21 s ASP 76 Cb -0.14 -2.13 1.62 0.00 -1.09 0.00 0.00 42.92 41.18 2k21 s ASP 76 CO 0.67 -0.77 1.92 -0.65 0.70 0.00 0.00 175.17 177.03 2k21 h PRO 77 N 8.61 0.00 -0.10 2.11 0.11 -2.01 -2.06 132.00 138.66 2k21 h PRO 77 Ca -0.23 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.80 2k21 h PRO 77 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2k21 h PRO 77 CO 0.95 0.00 -0.30 0.74 -0.21 0.00 0.00 178.00 179.17 2k21 h PHE 78 N 0.00 0.21 -0.01 0.65 0.04 -1.99 -3.29 116.94 112.55 2k21 h PHE 78 Ca 0.00 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2k21 h PHE 78 Cb 0.01 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.11 2k21 h PHE 78 CO 0.00 0.48 -0.52 -1.71 -0.60 0.00 0.00 178.31 175.96 2k21 n ASN 79 N -4.13 1.74 0.07 2.17 5.15 -0.78 -4.17 115.26 115.31 2k21 n ASN 79 Ca -0.01 -1.34 -0.21 0.00 -0.60 0.00 0.00 54.58 52.42 2k21 n ASN 79 Cb 0.39 0.50 -0.11 0.00 -0.53 0.00 0.00 39.78 40.02 2k21 n ASN 79 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2k21 h VAL 80 N 1.91 1.29 -0.19 3.44 2.07 -1.61 -3.38 116.25 119.79 2k21 h VAL 80 Ca 0.00 -2.37 -0.13 0.00 0.82 0.00 0.00 66.70 65.02 2k21 h VAL 80 Cb 0.69 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 2k21 h VAL 80 CO 0.00 0.73 -0.43 0.22 0.02 0.00 0.00 177.57 178.10 2k21 h TYR 81 N 0.33 0.53 -3.98 1.57 5.03 -1.72 -3.44 116.97 115.29 2k21 h TYR 81 Ca -0.16 -0.16 -0.69 0.00 2.58 0.00 0.00 58.73 60.31 2k21 h TYR 81 Cb 1.80 -0.11 -0.22 0.00 1.55 0.00 0.00 36.73 39.75 2k21 h TYR 81 CO 0.11 0.80 -0.82 0.96 -1.32 0.00 0.00 178.16 177.89 2k21 s ILE 82 N -4.16 2.70 0.64 1.81 -4.36 -1.26 -5.16 121.20 111.41 2k21 s ILE 82 Ca -0.06 -1.27 -0.12 0.00 -0.26 0.00 0.00 60.65 58.94 2k21 s ILE 82 Cb 0.13 -2.14 -0.02 0.00 1.25 0.00 0.00 42.46 41.67 2k21 s ILE 82 CO 0.81 0.30 1.04 -0.70 0.24 0.00 0.00 174.94 176.64 2k21 s GLU 83 N -1.52 3.28 0.00 0.37 2.56 -1.26 -4.70 118.70 117.44 2k21 s GLU 83 Ca 0.15 0.94 0.08 0.00 0.00 0.00 0.00 54.97 56.13 2k21 s GLU 83 Cb -0.10 -2.04 0.39 0.00 2.00 0.00 0.00 34.13 34.38 2k21 s GLU 83 CO 0.05 -0.82 1.11 0.45 -0.56 0.00 0.00 175.26 175.49 2k21 n SER 84 N -2.69 0.00 -0.08 -1.70 2.88 -1.26 -2.64 113.62 108.13 2k21 n SER 84 Ca 0.07 0.18 -0.22 0.00 -1.33 0.00 0.00 58.87 57.57 2k21 n SER 84 Cb 0.54 -0.29 -0.12 0.00 -0.75 0.00 0.00 64.21 63.59 2k21 n SER 84 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k21 n ASP 85 N -1.29 2.01 0.03 -3.46 8.00 -1.26 -4.60 116.55 115.99 2k21 n ASP 85 Ca 0.04 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.58 2k21 n ASP 85 Cb 0.06 -0.75 -0.09 0.00 -0.02 0.00 0.00 41.12 40.32 2k21 n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k21 h ALA 86 N -0.24 -0.10 -5.74 2.24 0.00 -1.89 -3.49 119.26 110.03 2k21 h ALA 86 Ca -0.50 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 2k21 h ALA 86 Cb 1.79 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2k21 h ALA 86 CO -0.11 -0.36 -0.93 0.91 0.00 0.00 0.00 179.25 178.76 2k21 n TRP 87 N -4.95 -2.62 -0.08 0.00 7.02 -1.18 -5.06 117.44 110.56 2k21 n TRP 87 Ca -0.08 1.12 -0.07 0.00 -1.02 0.00 0.00 57.50 57.44 2k21 n TRP 87 Cb 0.22 -2.85 -0.02 0.00 -2.42 0.00 0.00 31.31 26.23 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 0.48 0.49 -2.64 -0.99 7.27 -1.26 -5.05 117.38 115.69 2k21 n GLN 88 Ca 0.01 0.33 -0.23 0.00 0.07 0.00 0.00 57.00 57.18 2k21 n GLN 88 Cb 0.35 -1.52 0.03 0.00 2.41 0.00 0.00 30.24 31.52 2k21 n GLN 88 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2k21 s GLU 89 N -2.64 2.68 0.00 3.69 2.02 -1.26 -5.02 118.70 118.16 2k21 s GLU 89 Ca -0.23 -0.53 0.23 0.00 0.02 0.00 0.00 54.97 54.45 2k21 s GLU 89 Cb 0.03 -2.43 0.07 0.00 0.10 0.00 0.00 34.13 31.90 2k21 s GLU 89 CO 0.35 -0.67 1.14 1.63 0.02 0.00 0.00 175.26 177.72 2k21 n LYS 90 N -2.39 1.64 -3.33 1.61 5.02 -1.26 -4.95 118.16 114.51 2k21 n LYS 90 Ca 0.06 -1.35 -0.24 0.00 -2.02 0.00 0.00 58.31 54.76 2k21 n LYS 90 Cb 0.59 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 34.16 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 0.50 -4.99 0.09 4.39 9.92 -1.26 -4.87 116.55 120.34 2k21 n ASP 91 Ca 0.11 -0.42 0.17 0.00 -0.53 0.00 0.00 54.79 54.12 2k21 n ASP 91 Cb 0.51 -4.04 0.71 0.00 -0.64 0.00 0.00 41.12 37.66 2k21 n ASP 91 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 2k21 h LYS 92 N -1.41 0.00 0.13 -1.24 5.09 -1.97 0.23 116.57 117.40 2k21 h LYS 92 Ca -0.50 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.23 2k21 h LYS 92 Cb 1.34 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.67 2k21 h LYS 92 CO 0.57 0.00 -0.06 0.00 -2.09 0.00 0.00 179.45 177.87 2k21 h ALA 93 N 1.78 -0.18 0.12 0.07 0.00 -2.00 -2.24 119.26 116.81 2k21 h ALA 93 Ca 0.17 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 2k21 h ALA 93 Cb 0.71 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2k21 h ALA 93 CO -0.00 -0.41 -1.38 1.88 0.00 0.00 0.00 179.25 179.34 2k21 h TYR 94 N -0.56 0.46 -0.59 0.00 -1.99 -1.28 -3.07 116.97 109.94 2k21 h TYR 94 Ca -0.02 -0.34 0.05 0.00 2.00 0.00 0.00 58.73 60.43 2k21 h TYR 94 Cb 0.44 -0.02 -0.05 0.00 2.00 0.00 0.00 36.73 39.10 2k21 h TYR 94 CO 0.05 1.32 0.31 0.28 -0.00 0.00 0.00 178.16 180.12 2k21 h VAL 95 N 0.07 0.96 -0.51 -2.88 2.07 -0.78 0.51 116.25 115.69 2k21 h VAL 95 Ca -0.19 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 2k21 h VAL 95 Cb 1.99 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2k21 h VAL 95 CO 0.18 0.11 -0.16 -0.61 0.02 0.00 0.00 177.57 177.11 2k21 h GLN 96 N 0.59 1.01 -0.03 1.57 5.75 -1.39 1.76 115.11 124.37 2k21 h GLN 96 Ca 0.26 -0.40 -0.20 0.00 -0.15 0.00 0.00 58.65 58.16 2k21 h GLN 96 Cb 0.16 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 2k21 h GLN 96 CO -0.17 1.08 -0.85 0.00 -2.65 0.00 0.00 178.83 176.24 2k21 h ALA 97 N 0.92 0.48 0.23 3.38 0.00 -1.28 -3.27 119.26 119.74 2k21 h ALA 97 Ca 0.13 -0.67 -0.33 0.00 0.00 0.00 0.00 54.91 54.03 2k21 h ALA 97 Cb 0.73 -0.05 0.04 0.00 0.00 0.00 0.00 17.79 18.51 2k21 h ALA 97 CO 0.06 0.82 -1.44 0.00 0.00 0.00 0.00 179.25 178.68 2k21 h ARG 98 N 0.22 0.53 -0.43 0.00 2.47 0.63 -3.14 114.38 114.67 2k21 h ARG 98 Ca -0.05 -0.89 0.09 0.00 -1.26 0.00 0.00 59.98 57.87 2k21 h ARG 98 Cb 1.46 0.33 -0.09 0.00 -1.65 0.00 0.00 29.97 30.01 2k21 h ARG 98 CO 0.14 1.42 -0.27 0.28 0.56 0.00 0.00 179.97 182.11 2k21 h VAL 99 N 0.16 0.30 -0.48 2.04 2.07 0.26 2.67 116.25 123.26 2k21 h VAL 99 Ca -0.24 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 2k21 h VAL 99 Cb 2.13 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2k21 h VAL 99 CO 0.27 0.00 0.14 0.25 0.02 0.00 0.00 177.57 178.25 2k21 h LEU 100 N -0.19 0.71 0.20 2.57 5.85 -1.65 0.27 115.31 123.06 2k21 h LEU 100 Ca 0.20 -0.22 -0.32 0.00 0.84 0.00 0.00 57.88 58.38 2k21 h LEU 100 Cb 0.50 -0.19 0.04 0.00 0.37 0.00 0.00 40.66 41.38 2k21 h LEU 100 CO -0.54 0.74 -1.36 -0.08 -0.34 0.00 0.00 178.44 176.86 2k21 h GLU 101 N 0.65 0.58 -0.73 1.25 4.81 -0.87 -3.17 114.58 117.09 2k21 h GLU 101 Ca 0.15 -0.88 -0.04 0.00 -0.13 0.00 0.00 59.36 58.46 2k21 h GLU 101 Cb 0.29 0.31 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 2k21 h GLU 101 CO -0.00 1.41 0.32 0.77 -0.73 0.00 0.00 179.01 180.78 2k21 h SER 102 N 0.19 0.99 -0.51 1.04 0.02 0.50 -0.61 113.55 115.17 2k21 h SER 102 Ca -0.23 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.51 2k21 h SER 102 Cb 2.05 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 64.31 2k21 h SER 102 CO 0.26 0.87 0.13 1.88 -1.14 0.00 0.00 176.83 178.84 2k21 h TYR 103 N 1.04 0.89 0.09 3.45 -1.99 -0.50 2.83 116.97 122.79 2k21 h TYR 103 Ca 0.25 -0.08 -0.29 0.00 2.00 0.00 0.00 58.73 60.60 2k21 h TYR 103 Cb 0.18 -0.26 0.03 0.00 2.00 0.00 0.00 36.73 38.67 2k21 h TYR 103 CO 0.01 0.74 -1.21 0.87 -0.00 0.00 0.00 178.16 178.58 2k21 h LYS 104 N 0.83 0.65 0.00 4.88 6.56 -1.51 -3.32 116.57 124.65 2k21 h LYS 104 Ca 0.18 -0.82 0.00 0.00 -1.06 0.00 0.00 60.65 58.95 2k21 h LYS 104 Cb 0.30 0.26 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 2k21 h LYS 104 CO -0.00 1.37 0.00 0.43 -2.06 0.00 0.00 179.45 179.19 2k21 n SER 105 N -3.81 0.44 0.17 0.86 7.64 -0.10 -3.06 113.62 115.76 2k21 n SER 105 Ca -0.13 0.55 0.13 0.00 1.01 0.00 0.00 58.87 60.44 2k21 n SER 105 Cb 0.97 -0.67 0.46 0.00 -1.01 0.00 0.00 64.21 63.96 2k21 n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k21 h TYR 107 N 0.00 -0.93 -3.60 0.00 3.20 -1.70 -3.34 116.97 110.59 2k21 h TYR 107 Ca 0.00 0.10 -0.67 0.00 3.14 0.00 0.00 58.73 61.30 2k21 h TYR 107 Cb 0.61 0.55 -0.33 0.00 1.54 0.00 0.00 36.73 39.10 2k21 h TYR 107 CO 0.00 -0.41 -0.75 0.14 -1.64 0.00 0.00 178.16 175.50 2k21 s VAL 108 N -6.04 2.79 0.15 1.81 -7.23 -1.21 -4.90 120.40 105.77 2k21 s VAL 108 Ca -0.14 -1.19 0.06 0.00 -1.81 0.00 0.00 61.98 58.90 2k21 s VAL 108 Cb 0.22 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 2k21 s VAL 108 CO 0.73 0.10 -0.14 0.68 -0.31 0.00 0.00 175.10 176.17 2k21 s VAL 109 N 1.28 1.41 0.00 1.32 -7.23 -1.26 -5.00 120.40 110.93 2k21 s VAL 109 Ca -0.02 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 2k21 s VAL 109 Cb -0.18 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.04 2k21 s VAL 109 CO -0.04 -0.52 0.00 -0.62 -0.31 0.00 0.00 175.10 173.61 2k21 n GLU 110 N 0.17 0.00 -4.29 4.82 1.02 -1.26 -4.26 120.64 116.84 2k21 n GLU 110 Ca -0.13 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.76 2k21 n GLU 110 Cb 0.58 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.92 2k21 n GLU 110 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2k21 s ASN 111 N -0.32 4.33 -0.59 1.62 -0.87 -1.26 -5.06 114.94 112.79 2k21 s ASN 111 Ca 0.00 -0.61 -0.26 0.00 -1.57 0.00 0.00 52.86 50.42 2k21 s ASN 111 Cb 0.00 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.25 40.42 2k21 s ASN 111 CO 0.00 0.07 2.18 -1.38 -2.57 0.00 0.00 177.10 175.41 2k21 s HIS 112 N -1.90 1.33 -0.15 2.20 -3.43 -1.26 -4.94 115.29 107.14 2k21 s HIS 112 Ca 0.27 1.27 -0.29 0.00 -0.80 0.00 0.00 55.06 55.51 2k21 s HIS 112 Cb -0.08 -3.78 -0.04 0.00 -1.43 0.00 0.00 32.58 27.25 2k21 s HIS 112 CO 0.17 -2.31 1.75 -0.51 -2.00 0.00 0.00 174.74 171.83 2k21 s LEU 113 N 11.21 4.01 0.00 5.38 1.43 -1.26 -4.92 118.68 134.52 2k21 s LEU 113 Ca 0.84 1.94 0.18 0.00 -1.03 0.00 0.00 54.13 56.06 2k21 s LEU 113 Cb -0.14 -3.53 0.87 0.00 0.03 0.00 0.00 46.19 43.41 2k21 s LEU 113 CO 0.21 -1.25 1.57 0.00 0.23 0.00 0.00 176.35 177.11 2k21 n ALA 114 N 8.45 1.92 -0.10 4.21 0.00 -1.26 -4.14 120.51 129.59 2k21 n ALA 114 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2k21 n ALA 114 Cb 0.44 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.37 0.00 -3.29 0.00 5.41 -1.26 -4.82 119.36 114.03 2k21 n ILE 115 Ca 0.07 0.94 -0.33 0.00 1.00 0.00 0.00 62.75 64.44 2k21 n ILE 115 Cb 0.17 -1.89 -0.06 0.00 -0.71 0.00 0.00 39.64 37.15 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 -1.84 3.92 0.33 0.38 2.02 -1.26 -5.08 118.70 117.17 2k21 s GLU 116 Ca 0.00 0.48 -0.15 0.00 0.02 0.00 0.00 54.97 55.31 2k21 s GLU 116 Cb 0.00 -2.61 -0.09 0.00 0.10 0.00 0.00 34.13 31.53 2k21 s GLU 116 CO 0.00 0.28 0.75 -0.65 0.02 0.00 0.00 175.26 175.66 2k21 s GLN 117 N -2.75 4.02 0.20 1.61 -0.21 -1.26 -4.81 119.66 116.45 2k21 s GLN 117 Ca 0.49 0.70 -0.31 0.00 0.02 0.00 0.00 55.36 56.26 2k21 s GLN 117 Cb -0.11 -2.41 -0.10 0.00 1.00 0.00 0.00 33.01 31.39 2k21 s GLN 117 CO 0.19 0.14 1.45 -1.25 -2.12 0.00 0.00 175.29 173.71 2k21 s PRO 118 N -3.00 4.27 0.22 2.91 0.04 -1.26 -5.05 135.00 133.14 2k21 s PRO 118 Ca 0.55 2.26 0.08 0.00 0.04 0.00 0.00 61.00 63.93 2k21 s PRO 118 Cb -0.10 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2k21 s PRO 118 CO 0.17 -0.45 0.02 0.54 0.04 0.00 0.00 177.00 177.32 2k21 s ASN 119 N 0.67 4.74 -0.31 6.66 2.20 -1.26 -5.13 114.94 122.51 2k21 s ASN 119 Ca 0.63 -0.49 -0.29 0.00 -0.94 0.00 0.00 52.86 51.76 2k21 s ASN 119 Cb -0.41 -0.98 0.02 0.00 -2.00 0.00 0.00 41.25 37.88 2k21 s ASN 119 CO 0.38 0.04 1.09 0.42 -2.94 0.00 0.00 177.10 176.09 2k21 s THR 120 N -2.04 4.48 0.35 0.54 -4.23 -1.26 -5.00 115.64 108.49 2k21 s THR 120 Ca 0.30 1.71 -0.06 0.00 -1.18 0.00 0.00 61.69 62.47 2k21 s THR 120 Cb -0.08 -4.39 -0.05 0.00 1.34 0.00 0.00 72.50 69.32 2k21 s THR 120 CO 0.20 -0.47 0.64 -1.38 -0.54 0.00 0.00 174.62 173.07 2k21 s HIS 121 N 3.69 3.49 0.33 3.99 -3.43 -1.26 -5.11 115.29 116.99 2k21 s HIS 121 Ca 0.46 0.73 0.09 0.00 -0.80 0.00 0.00 55.06 55.54 2k21 s HIS 121 Cb -0.13 -2.19 -0.04 0.00 -1.43 0.00 0.00 32.58 28.79 2k21 s HIS 121 CO 0.16 0.03 0.10 -0.51 -2.00 0.00 0.00 174.74 172.51 2k21 s LEU 122 N -3.89 3.20 0.48 5.38 1.43 -1.26 -5.11 118.68 118.90 2k21 s LEU 122 Ca 0.46 -0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 52.53 2k21 s LEU 122 Cb -0.10 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.37 2k21 s LEU 122 CO 0.33 -0.25 0.98 -2.65 0.23 0.00 0.00 176.35 174.99 2k21 n PRO 123 N -1.08 1.21 -1.68 1.29 -0.02 -1.26 -4.97 135.00 128.50 2k21 n PRO 123 Ca -0.04 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.49 2k21 n PRO 123 Cb 0.61 -2.07 0.03 0.00 -0.02 0.00 0.00 33.50 32.06 2k21 n PRO 123 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2k21 n GLU 124 N -0.16 1.54 -4.56 -0.52 0.28 -1.26 -5.05 120.64 110.91 2k21 n GLU 124 Ca 0.10 0.56 -0.33 0.00 -0.16 0.00 0.00 57.16 57.33 2k21 n GLU 124 Cb 0.42 -2.36 -0.15 0.00 1.43 0.00 0.00 31.44 30.78 2k21 n GLU 124 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2k21 s THR 125 N -1.31 2.83 0.57 3.84 2.01 -1.26 -5.15 115.64 117.16 2k21 s THR 125 Ca 0.68 -0.72 -0.19 0.00 0.31 0.00 0.00 61.69 61.77 2k21 s THR 125 Cb -0.46 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 2k21 s THR 125 CO 0.52 0.51 1.20 -1.59 -0.69 0.00 0.00 174.62 174.57 2k21 s LYS 126 N 0.72 3.14 0.75 4.92 -2.85 -1.26 -5.05 119.74 120.11 2k21 s LYS 126 Ca -0.06 1.80 -0.13 0.00 -1.00 0.00 0.00 55.97 56.58 2k21 s LYS 126 Cb -0.15 -2.01 0.05 0.00 -2.06 0.00 0.00 37.83 33.66 2k21 s LYS 126 CO 0.01 -1.07 1.14 -1.25 0.10 0.00 0.00 175.35 174.29 2k21 s PRO 127 N -3.24 2.18 0.45 1.78 0.04 -1.26 -5.05 135.00 129.91 2k21 s PRO 127 Ca 0.75 1.49 -0.21 0.00 0.04 0.00 0.00 61.00 63.07 2k21 s PRO 127 Cb -0.29 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 2k21 s PRO 127 CO 0.33 -1.75 0.99 -1.54 0.04 0.00 0.00 177.00 175.07 2k21 s SER 128 N -2.59 6.70 0.00 6.66 1.04 -1.26 -5.33 113.70 118.92 2k21 s SER 128 Ca 0.68 1.80 0.22 0.00 0.48 0.00 0.00 55.95 59.14 2k21 s SER 128 Cb -0.23 -2.55 1.34 0.00 0.10 0.00 0.00 66.02 64.68 2k21 s SER 128 CO 0.48 -0.53 1.71 -0.81 0.98 0.00 0.00 173.24 175.08