#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 -0.29 1.12 5.03 -1.96 -2.51 117.51 118.91 2k21 h ILE 2 Ca 0.00 -0.38 0.00 0.00 -0.12 0.00 0.00 64.86 64.36 2k21 h ILE 2 Cb 0.00 1.36 0.00 0.00 -3.03 0.00 0.00 36.82 35.15 2k21 h ILE 2 CO 0.00 0.00 0.00 0.18 -0.68 0.00 0.00 178.15 177.65 2k21 n LEU 3 N -3.02 3.69 0.10 1.44 4.32 -1.26 -4.29 117.00 117.98 2k21 n LEU 3 Ca -0.00 -2.77 0.10 0.00 -0.02 0.00 0.00 56.01 53.32 2k21 n LEU 3 Cb 0.25 -0.47 0.44 0.00 -1.62 0.00 0.00 43.42 42.02 2k21 n LEU 3 CO 0.25 0.69 0.81 -0.24 -1.22 0.00 0.00 177.39 177.67 2k21 n SER 4 N -0.24 0.48 -0.03 -1.43 2.88 -0.95 -2.40 113.62 111.93 2k21 n SER 4 Ca 0.19 0.64 -0.16 0.00 -1.33 0.00 0.00 58.87 58.21 2k21 n SER 4 Cb 0.79 -0.73 -0.13 0.00 -0.75 0.00 0.00 64.21 63.38 2k21 n SER 4 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2k21 h ASN 5 N 0.00 0.14 -0.46 -3.46 4.21 -1.82 -2.80 115.58 111.40 2k21 h ASN 5 Ca 0.00 -0.99 -0.04 0.00 1.21 0.00 0.00 56.30 56.48 2k21 h ASN 5 Cb 0.26 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.39 2k21 h ASN 5 CO 0.00 1.12 0.15 0.74 -1.29 0.00 0.00 177.43 178.15 2k21 h THR 6 N -0.81 1.21 -0.01 2.81 2.02 -1.78 -2.24 112.91 114.11 2k21 h THR 6 Ca -0.04 -0.74 -0.15 0.00 0.77 0.00 0.00 66.41 66.24 2k21 h THR 6 Cb 1.20 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 2k21 h THR 6 CO 0.05 0.28 -0.72 0.74 0.37 0.00 0.00 175.52 176.24 2k21 h THR 7 N 0.76 1.49 -0.34 3.16 2.02 -1.65 -1.73 112.91 116.62 2k21 h THR 7 Ca 0.17 -2.40 -0.10 0.00 0.77 0.00 0.00 66.41 64.85 2k21 h THR 7 Cb 0.25 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 2k21 h THR 7 CO -0.01 0.69 -0.16 0.00 0.37 0.00 0.00 175.52 176.41 2k21 h ALA 8 N 1.24 0.48 0.00 6.16 0.00 -1.18 -3.16 119.26 122.79 2k21 h ALA 8 Ca -0.01 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2k21 h ALA 8 Cb 1.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2k21 h ALA 8 CO 0.10 0.39 -0.50 -0.39 0.00 0.00 0.00 179.25 178.85 2k21 h VAL 9 N 0.49 0.74 -0.47 0.00 -1.51 -1.39 -3.47 116.25 110.64 2k21 h VAL 9 Ca 0.08 -2.05 -0.62 0.00 -1.23 0.00 0.00 66.70 62.87 2k21 h VAL 9 Cb 0.70 2.34 -0.04 0.00 -2.13 0.00 0.00 31.29 32.16 2k21 h VAL 9 CO 0.05 0.42 1.52 0.41 -1.23 0.00 0.00 177.57 178.74 2k21 n THR 10 N -3.19 0.04 0.31 7.19 -1.04 -0.65 -4.83 114.28 112.11 2k21 n THR 10 Ca 0.02 -0.16 0.20 0.00 -2.04 0.00 0.00 64.05 62.06 2k21 n THR 10 Cb 0.72 -1.06 1.05 0.00 -1.82 0.00 0.00 70.33 69.22 2k21 n THR 10 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2k21 h PRO 11 N 12.02 0.00 -0.10 -2.82 0.11 -1.91 -2.21 132.00 137.09 2k21 h PRO 11 Ca -0.15 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.78 2k21 h PRO 11 Cb 1.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 2k21 h PRO 11 CO 1.17 0.00 -0.72 0.74 -0.21 0.00 0.00 178.00 178.98 2k21 h PHE 12 N 0.00 0.64 -0.18 0.65 -1.00 -1.98 -3.30 116.94 111.78 2k21 h PHE 12 Ca 0.00 -0.28 -0.14 0.00 2.81 0.00 0.00 57.97 60.36 2k21 h PHE 12 Cb 0.13 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 2k21 h PHE 12 CO 0.00 1.04 -0.48 1.25 -1.61 0.00 0.00 178.31 178.52 2k21 h LEU 13 N 0.33 0.50 -0.90 1.54 5.85 -1.73 -3.15 115.31 117.75 2k21 h LEU 13 Ca -0.03 -0.24 0.15 0.00 0.84 0.00 0.00 57.88 58.60 2k21 h LEU 13 Cb 1.30 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.09 2k21 h LEU 13 CO 0.13 0.90 0.50 0.74 -0.34 0.00 0.00 178.44 180.37 2k21 h THR 14 N 0.37 0.75 -0.04 1.05 2.02 -1.60 0.60 112.91 116.06 2k21 h THR 14 Ca 0.02 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2k21 h THR 14 Cb 0.97 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2k21 h THR 14 CO 0.09 0.13 -0.04 0.50 0.37 0.00 0.00 175.52 176.57 2k21 h LYS 15 N 0.71 0.10 -0.36 6.66 3.64 -1.68 -1.48 116.57 124.16 2k21 h LYS 15 Ca 0.49 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.73 2k21 h LYS 15 Cb 0.68 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 2k21 h LYS 15 CO -0.35 0.56 -0.13 1.25 -2.27 0.00 0.00 179.45 178.51 2k21 h LEU 16 N -0.36 0.63 -0.14 5.20 6.46 -1.23 0.35 115.31 126.21 2k21 h LEU 16 Ca 0.01 -0.18 -0.05 0.00 -0.12 0.00 0.00 57.88 57.54 2k21 h LEU 16 Cb 0.54 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2k21 h LEU 16 CO 0.01 0.78 -0.11 -0.25 -0.62 0.00 0.00 178.44 178.26 2k21 h TRP 17 N 0.58 0.37 -0.45 1.25 2.91 0.08 -2.59 115.95 118.11 2k21 h TRP 17 Ca 0.10 -0.10 -0.08 0.00 1.13 0.00 0.00 58.89 59.94 2k21 h TRP 17 Cb 0.56 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.11 2k21 h TRP 17 CO 0.02 0.69 -0.03 0.37 -1.03 0.00 0.00 178.44 178.46 2k21 h GLN 18 N -0.04 0.77 0.00 2.65 4.15 -0.92 -2.55 115.11 119.16 2k21 h GLN 18 Ca 0.03 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.20 2k21 h GLN 18 Cb 0.61 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 2k21 h GLN 18 CO 0.03 0.80 -0.15 1.49 -1.93 0.00 0.00 178.83 179.06 2k21 h GLU 19 N 0.71 0.00 -0.39 1.69 4.81 -0.28 -0.21 114.58 120.91 2k21 h GLU 19 Ca 0.13 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 2k21 h GLU 19 Cb 0.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2k21 h GLU 19 CO 0.02 0.15 -0.24 1.15 -0.73 0.00 0.00 179.01 179.37 2k21 h THR 20 N 0.00 1.28 0.25 0.32 2.02 -1.04 0.62 112.91 116.36 2k21 h THR 20 Ca -0.00 -1.39 -0.34 0.00 0.77 0.00 0.00 66.41 65.45 2k21 h THR 20 Cb 0.31 1.33 0.04 0.00 -1.74 0.00 0.00 68.15 68.08 2k21 h THR 20 CO 0.02 0.46 -1.51 0.58 0.37 0.00 0.00 175.52 175.44 2k21 h VAL 21 N 0.65 1.25 0.02 3.16 2.07 -1.14 -2.71 116.25 119.54 2k21 h VAL 21 Ca 0.08 -2.68 -0.15 0.00 0.82 0.00 0.00 66.70 64.77 2k21 h VAL 21 Cb 0.80 3.02 0.01 0.00 -1.52 0.00 0.00 31.29 33.61 2k21 h VAL 21 CO 0.07 0.81 -0.60 1.56 0.02 0.00 0.00 177.57 179.43 2k21 h GLN 22 N 0.14 0.38 0.04 1.57 4.20 -1.03 -3.36 115.11 117.05 2k21 h GLN 22 Ca -0.27 -0.43 -0.34 0.00 0.06 0.00 0.00 58.65 57.67 2k21 h GLN 22 Cb 2.16 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 30.02 2k21 h GLN 22 CO 0.27 1.11 -2.02 0.94 -0.67 0.00 0.00 178.83 178.46 2k21 n GLN 23 N -4.23 0.69 0.00 1.46 7.27 0.20 -5.02 117.38 117.74 2k21 n GLN 23 Ca -0.11 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.18 2k21 n GLN 23 Cb 0.68 -1.69 0.00 0.00 2.41 0.00 0.00 30.24 31.64 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 1.82 1.46 3.09 1.69 0.00 -1.04 -4.71 105.19 107.51 2k21 n GLY 24 Ca -0.28 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.47 -1.23 0.24 -0.02 0.00 -1.12 -4.69 105.19 97.89 2k21 n GLY 25 Ca 0.00 0.64 0.07 0.00 0.00 0.00 0.00 46.02 46.73 2k21 n GLY 25 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2k21 h ASN 26 N 0.71 0.00 0.76 1.61 4.21 -1.93 -3.06 115.58 117.88 2k21 h ASN 26 Ca -0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.45 2k21 h ASN 26 Cb 1.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 2k21 h ASN 26 CO 0.29 0.14 -0.93 0.80 -1.29 0.00 0.00 177.43 176.44 2k21 n MET 27 N -4.25 0.42 -0.17 0.81 1.56 -1.26 -3.84 117.12 110.39 2k21 n MET 27 Ca -0.02 0.06 -0.10 0.00 -0.27 0.00 0.00 57.70 57.37 2k21 n MET 27 Cb 0.22 -1.70 0.02 0.00 2.15 0.00 0.00 33.22 33.90 2k21 n MET 27 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2k21 h SER 28 N 0.00 1.02 0.00 6.12 0.87 -1.89 -3.48 113.55 116.19 2k21 h SER 28 Ca 0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2k21 h SER 28 Cb 0.84 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2k21 h SER 28 CO 0.00 1.14 0.00 0.61 -0.53 0.00 0.00 176.83 178.05 2k21 n GLY 29 N -0.25 1.37 0.00 5.77 0.00 -1.24 -5.02 105.19 105.82 2k21 n GLY 29 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.99 4.77 -1.25 -3.52 117.00 117.99 2k21 n LEU 30 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2k21 n LEU 30 Cb 0.00 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.48 2k21 n LEU 30 CO 0.00 0.00 0.69 0.00 -1.33 0.00 0.00 177.39 176.75 2k21 n ALA 31 N -0.68 1.88 -0.12 -1.18 0.00 -1.26 -3.02 120.51 116.14 2k21 n ALA 31 Ca 0.08 -0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.19 2k21 n ALA 31 Cb 0.04 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.14 2k21 n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k21 n ARG 32 N -1.23 0.60 -4.21 0.00 1.74 -1.23 -4.97 116.66 107.37 2k21 n ARG 32 Ca 0.08 0.31 -0.35 0.00 -0.77 0.00 0.00 57.85 57.12 2k21 n ARG 32 Cb 0.10 -1.56 -0.08 0.00 -1.02 0.00 0.00 32.46 29.90 2k21 n ARG 32 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2k21 s ARG 33 N -2.48 3.10 0.39 5.56 0.52 -1.17 -5.14 118.95 119.74 2k21 s ARG 33 Ca -0.35 -0.35 -0.26 0.00 -0.52 0.00 0.00 55.73 54.25 2k21 s ARG 33 Cb 0.12 -2.90 -0.09 0.00 0.52 0.00 0.00 34.95 32.60 2k21 s ARG 33 CO 0.55 0.71 1.18 -1.12 0.02 0.00 0.00 175.30 176.63 2k21 s SER 34 N -1.04 6.57 0.00 0.23 0.01 -1.26 -4.86 113.70 113.34 2k21 s SER 34 Ca 0.15 2.36 0.10 0.00 1.31 0.00 0.00 55.95 59.87 2k21 s SER 34 Cb -0.12 -2.62 0.46 0.00 0.21 0.00 0.00 66.02 63.96 2k21 s SER 34 CO 0.04 -0.64 1.24 -0.81 0.41 0.00 0.00 173.24 173.48 2k21 n PRO 35 N 0.17 0.09 -3.94 12.44 -0.04 -1.26 -4.65 135.00 137.81 2k21 n PRO 35 Ca 0.04 0.24 -0.35 0.00 -0.04 0.00 0.00 63.50 63.39 2k21 n PRO 35 Cb 0.46 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.73 3.85 -0.03 0.54 0.52 -1.26 -5.00 118.95 114.84 2k21 s ARG 36 Ca 0.08 -0.27 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 2k21 s ARG 36 Cb 0.06 -3.23 -0.05 0.00 0.52 0.00 0.00 34.95 32.26 2k21 s ARG 36 CO 0.16 0.42 0.02 0.45 0.02 0.00 0.00 175.30 176.37 2k21 n SER 37 N 3.10 4.08 0.00 0.23 2.88 -1.26 -5.14 113.62 117.50 2k21 n SER 37 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2k21 n SER 37 Cb 0.53 0.68 0.00 0.00 -0.75 0.00 0.00 64.21 64.67 2k21 n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k21 n GLY 38 N 2.70 -0.64 0.03 0.46 0.00 -1.26 -4.93 105.19 101.54 2k21 n GLY 38 Ca -0.05 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.87 2k21 n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k21 n ASP 39 N 0.00 0.15 -1.29 1.61 9.92 -1.26 -4.99 116.55 120.69 2k21 n ASP 39 Ca 0.00 0.55 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 2k21 n ASP 39 Cb 0.00 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 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 -0.58 -4.39 0.17 0.44 0.00 -1.26 -4.86 105.19 94.71 2k21 n GLY 40 Ca 0.02 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.64 2k21 n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k21 n LYS 41 N 0.85 1.22 0.00 1.61 4.81 -1.26 -3.15 118.16 122.24 2k21 n LYS 41 Ca 0.00 -0.33 0.13 0.00 -0.87 0.00 0.00 58.31 57.24 2k21 n LYS 41 Cb 0.00 -1.28 0.74 0.00 0.02 0.00 0.00 35.03 34.52 2k21 n LYS 41 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k21 n LEU 42 N -0.41 0.00 0.24 3.14 4.32 -1.26 -2.55 117.00 120.47 2k21 n LEU 42 Ca 0.12 0.07 0.16 0.00 -0.02 0.00 0.00 56.01 56.34 2k21 n LEU 42 Cb 0.13 -0.07 0.82 0.00 -1.62 0.00 0.00 43.42 42.68 2k21 n LEU 42 CO 0.10 -0.01 0.98 -0.33 -1.22 0.00 0.00 177.39 176.91 2k21 h GLU 43 N 0.00 0.00 0.00 3.23 5.08 -1.87 -1.39 114.58 119.63 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 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k21 h GLU 43 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2k21 n ALA 44 N -1.93 1.90 -0.87 3.43 0.00 -1.06 -4.97 120.51 117.02 2k21 n ALA 44 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2k21 n ALA 44 Cb 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2k21 n ALA 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k21 n LEU 45 N -0.60 -4.02 0.24 0.00 7.94 -0.52 -4.50 117.00 115.55 2k21 n LEU 45 Ca 0.02 1.52 0.10 0.00 -1.11 0.00 0.00 56.01 56.54 2k21 n LEU 45 Cb 0.01 -0.93 0.61 0.00 0.53 0.00 0.00 43.42 43.64 2k21 n LEU 45 CO 0.01 -0.29 0.90 0.22 -1.11 0.00 0.00 177.39 177.13 2k21 h TYR 46 N 1.40 0.00 0.11 1.96 3.20 -1.94 -3.25 116.97 118.45 2k21 h TYR 46 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2k21 h TYR 46 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2k21 h TYR 46 CO 0.00 0.18 -0.05 0.28 -1.64 0.00 0.00 178.16 176.93 2k21 h VAL 47 N 0.00 0.84 -0.24 1.81 2.07 -1.95 -2.42 116.25 116.36 2k21 h VAL 47 Ca -0.00 -1.32 0.04 0.00 0.82 0.00 0.00 66.70 66.23 2k21 h VAL 47 Cb 0.46 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2k21 h VAL 47 CO 0.02 0.25 0.16 0.25 0.02 0.00 0.00 177.57 178.27 2k21 h LEU 48 N -0.93 0.14 -0.59 2.57 6.46 -1.81 -2.05 115.31 119.11 2k21 h LEU 48 Ca -0.01 -0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.59 2k21 h LEU 48 Cb 0.51 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 2k21 h LEU 48 CO 0.02 0.10 -0.52 -0.03 -0.62 0.00 0.00 178.44 177.39 2k21 h MET 49 N 0.17 0.50 -0.78 1.25 4.05 -1.61 -3.22 114.93 115.30 2k21 h MET 49 Ca 0.10 -0.30 0.12 0.00 -0.28 0.00 0.00 59.70 59.35 2k21 h MET 49 Cb 0.21 0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 30.95 2k21 h MET 49 CO -0.02 0.90 0.37 0.28 0.23 0.00 0.00 176.91 178.68 2k21 h VAL 50 N 0.39 0.76 -0.11 -5.77 2.07 -0.84 0.35 116.25 113.10 2k21 h VAL 50 Ca 0.01 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2k21 h VAL 50 Cb 1.04 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2k21 h VAL 50 CO 0.10 0.11 0.06 0.25 0.02 0.00 0.00 177.57 178.10 2k21 h LEU 51 N 0.58 0.13 -0.37 2.57 5.85 -1.55 0.62 115.31 123.15 2k21 h LEU 51 Ca 0.41 -0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.87 2k21 h LEU 51 Cb 0.53 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2k21 h LEU 51 CO -0.33 0.16 -0.63 1.23 -0.34 0.00 0.00 178.44 178.53 2k21 h GLY 52 N 0.09 0.73 1.06 3.75 0.00 -1.38 -1.84 103.07 105.47 2k21 h GLY 52 Ca 0.04 -0.91 -0.07 0.00 0.00 0.00 0.00 47.33 46.38 2k21 h GLY 52 CO -0.01 0.82 0.15 -2.75 0.00 0.00 0.00 176.54 174.75 2k21 h PHE 53 N 0.49 1.16 -0.36 5.60 3.04 -0.23 -2.93 116.94 123.70 2k21 h PHE 53 Ca -0.01 -0.14 -0.03 0.00 3.98 0.00 0.00 57.97 61.76 2k21 h PHE 53 Cb 1.21 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 39.38 2k21 h PHE 53 CO 0.06 0.95 0.08 0.35 -2.02 0.00 0.00 178.31 177.74 2k21 h PHE 54 N 1.03 0.54 -0.33 0.41 3.04 0.67 -0.21 116.94 122.09 2k21 h PHE 54 Ca 0.21 -0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.18 2k21 h PHE 54 Cb 0.39 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.69 2k21 h PHE 54 CO 0.03 0.47 0.05 0.78 -2.02 0.00 0.00 178.31 177.63 2k21 h GLY 55 N 0.76 0.37 1.73 2.40 0.00 -1.18 -1.69 103.07 105.46 2k21 h GLY 55 Ca 0.12 -0.01 -0.20 0.00 0.00 0.00 0.00 47.33 47.24 2k21 h GLY 55 CO -0.00 -0.03 -0.90 0.74 0.00 0.00 0.00 176.54 176.35 2k21 h PHE 56 N 0.17 0.36 -0.68 5.60 -1.00 -1.28 -2.57 116.94 117.53 2k21 h PHE 56 Ca 0.16 -0.20 -0.07 0.00 2.81 0.00 0.00 57.97 60.67 2k21 h PHE 56 Cb 0.18 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.67 2k21 h PHE 56 CO -0.19 1.02 0.16 0.35 -1.61 0.00 0.00 178.31 178.04 2k21 h PHE 57 N 0.13 1.14 0.38 -0.55 3.04 -1.01 -1.05 116.94 119.02 2k21 h PHE 57 Ca -0.05 -0.13 -0.02 0.00 3.98 0.00 0.00 57.97 61.75 2k21 h PHE 57 Cb 1.53 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.72 2k21 h PHE 57 CO 0.04 0.93 -0.18 1.15 -2.02 0.00 0.00 178.31 178.22 2k21 h THR 58 N 1.03 0.63 0.00 4.41 2.02 -0.87 -2.56 112.91 117.57 2k21 h THR 58 Ca 0.22 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2k21 h THR 58 Cb 0.36 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2k21 h THR 58 CO 0.00 0.02 0.00 0.17 0.37 0.00 0.00 175.52 176.08 2k21 h LEU 59 N -0.57 0.00 -1.15 2.58 -0.00 -1.71 -3.22 115.31 111.23 2k21 h LEU 59 Ca -0.05 0.00 0.19 0.00 -0.00 0.00 0.00 57.88 58.01 2k21 h LEU 59 Cb 0.43 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.00 2k21 h LEU 59 CO 0.09 0.00 0.61 1.23 -0.00 0.00 0.00 178.44 180.37 2k21 h GLY 60 N 2.80 1.52 0.81 0.17 0.00 -0.76 0.89 103.07 108.50 2k21 h GLY 60 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.03 2k21 h GLY 60 CO 0.00 -0.02 -0.04 -2.22 0.00 0.00 0.00 176.54 174.26 2k21 h ILE 61 N 0.70 0.88 -0.25 2.60 2.04 -1.55 -3.09 117.51 118.84 2k21 h ILE 61 Ca 0.54 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.32 2k21 h ILE 61 Cb 0.93 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2k21 h ILE 61 CO -0.31 0.00 -0.21 0.24 0.00 0.00 0.00 178.15 177.87 2k21 h MET 62 N -0.03 0.45 -0.88 2.37 2.86 -1.10 -2.93 114.93 115.67 2k21 h MET 62 Ca 0.04 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2k21 h MET 62 Cb 0.09 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 2k21 h MET 62 CO -0.09 0.64 0.58 -0.07 1.06 0.00 0.00 176.91 179.03 2k21 h LEU 63 N 0.40 0.99 -1.40 1.22 4.07 -1.11 0.39 115.31 119.87 2k21 h LEU 63 Ca 0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 2k21 h LEU 63 Cb 0.59 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 2k21 h LEU 63 CO 0.04 0.71 0.16 0.28 -1.08 0.00 0.00 178.44 178.55 2k21 h SER 64 N 1.17 0.51 0.12 -0.43 0.02 -1.43 1.81 113.55 115.32 2k21 h SER 64 Ca 0.33 -0.05 -0.35 0.00 -0.84 0.00 0.00 61.79 60.88 2k21 h SER 64 Cb -0.10 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2k21 h SER 64 CO -0.08 0.47 -1.86 0.22 -1.14 0.00 0.00 176.83 174.44 2k21 h TYR 65 N 0.56 0.48 0.00 3.45 3.20 -1.28 -3.25 116.97 120.13 2k21 h TYR 65 Ca 0.14 -0.35 -0.08 0.00 3.14 0.00 0.00 58.73 61.57 2k21 h TYR 65 Cb 0.12 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2k21 h TYR 65 CO 0.01 1.73 -0.40 0.82 -1.64 0.00 0.00 178.16 178.68 2k21 h ILE 66 N -0.04 0.99 0.01 1.81 2.04 0.16 -3.17 117.51 119.30 2k21 h ILE 66 Ca -0.40 -1.54 -0.00 0.00 1.00 0.00 0.00 64.86 63.92 2k21 h ILE 66 Cb 1.96 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 2k21 h ILE 66 CO 0.08 0.39 -0.01 -0.09 0.00 0.00 0.00 178.15 178.52 2k21 h ARG 67 N 0.00 -0.01 -0.74 2.37 2.43 0.26 -0.44 114.38 118.25 2k21 h ARG 67 Ca -0.00 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.32 2k21 h ARG 67 Cb 0.88 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.38 2k21 h ARG 67 CO 0.05 0.27 0.50 0.66 -1.51 0.00 0.00 179.97 179.94 2k21 h SER 68 N -0.30 0.34 0.16 -3.80 4.64 -1.58 -0.82 113.55 112.19 2k21 h SER 68 Ca -0.00 0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.06 2k21 h SER 68 Cb 0.30 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2k21 h SER 68 CO 0.00 0.18 -1.30 0.11 -0.87 0.00 0.00 176.83 174.95 2k21 h LYS 69 N 0.37 0.34 0.00 4.77 1.57 -1.60 -3.37 116.57 118.65 2k21 h LYS 69 Ca 0.36 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2k21 h LYS 69 Cb 0.89 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2k21 h LYS 69 CO -0.11 1.28 0.00 1.63 -0.57 0.00 0.00 179.45 181.69 2k21 n LYS 70 N -3.89 0.26 0.00 3.15 4.76 -0.18 -1.38 118.16 120.88 2k21 n LYS 70 Ca -0.20 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 2k21 n LYS 70 Cb 0.95 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.64 2k21 n LYS 70 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2k21 n LEU 71 N -1.21 0.74 0.00 -0.35 7.94 -0.37 -3.79 117.00 119.96 2k21 n LEU 71 Ca 0.08 -0.37 0.03 0.00 -1.11 0.00 0.00 56.01 54.64 2k21 n LEU 71 Cb 0.09 -0.37 0.21 0.00 0.53 0.00 0.00 43.42 43.88 2k21 n LEU 71 CO 0.10 0.19 0.41 -0.62 -1.11 0.00 0.00 177.39 176.36 2k21 n GLU 72 N 0.02 0.40 -1.97 1.96 -0.58 -0.48 -4.80 120.64 115.18 2k21 n GLU 72 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 2k21 n GLU 72 Cb 0.19 -1.28 0.03 0.00 -0.57 0.00 0.00 31.44 29.81 2k21 n GLU 72 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2k21 s HIS 73 N -2.00 2.39 -0.34 -0.32 2.46 -1.25 -4.94 115.29 111.29 2k21 s HIS 73 Ca 0.10 1.49 -0.28 0.00 0.47 0.00 0.00 55.06 56.84 2k21 s HIS 73 Cb 0.05 -3.55 -0.02 0.00 -0.13 0.00 0.00 32.58 28.93 2k21 s HIS 73 CO 0.08 -2.34 1.80 0.45 -2.47 0.00 0.00 174.74 172.26 2k21 s SER 74 N -1.43 5.88 -0.49 9.88 0.15 -1.26 -4.97 113.70 121.45 2k21 s SER 74 Ca 0.76 1.27 -0.12 0.00 0.70 0.00 0.00 55.95 58.56 2k21 s SER 74 Cb -0.33 -2.53 0.12 0.00 -1.71 0.00 0.00 66.02 61.57 2k21 s SER 74 CO 0.36 -1.72 0.40 0.54 1.20 0.00 0.00 173.24 174.02 2k21 s ASN 75 N 6.12 5.91 0.88 5.45 6.03 -1.26 -5.09 114.94 132.98 2k21 s ASN 75 Ca 0.79 -1.79 -0.11 0.00 -1.03 0.00 0.00 52.86 50.72 2k21 s ASN 75 Cb -0.22 -2.10 0.13 0.00 -3.03 0.00 0.00 41.25 36.03 2k21 s ASN 75 CO 0.33 -0.74 1.16 -1.81 -2.03 0.00 0.00 177.10 174.01 2k21 s ASP 76 N 2.97 3.14 0.07 3.54 1.11 -1.26 -4.91 116.67 121.33 2k21 s ASP 76 Ca 0.04 2.22 0.14 0.00 0.18 0.00 0.00 52.55 55.13 2k21 s ASP 76 Cb -0.27 -2.57 0.60 0.00 1.07 0.00 0.00 42.92 41.75 2k21 s ASP 76 CO 0.01 -2.96 1.43 -0.81 1.18 0.00 0.00 175.17 174.02 2k21 n PRO 77 N -3.99 0.05 0.23 8.23 -0.04 -1.26 -2.46 135.00 135.76 2k21 n PRO 77 Ca 0.12 0.36 0.10 0.00 -0.04 0.00 0.00 63.50 64.05 2k21 n PRO 77 Cb 0.52 -1.60 0.55 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.01 0.54 -1.00 -1.99 0.12 116.94 114.62 2k21 h PHE 78 Ca 0.00 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.40 2k21 h PHE 78 Cb 0.20 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.70 2k21 h PHE 78 CO 0.00 0.20 -2.38 -1.71 -1.61 0.00 0.00 178.31 172.81 2k21 n ASN 79 N -3.50 1.50 0.09 2.17 2.85 -1.03 -4.31 115.26 113.02 2k21 n ASN 79 Ca -0.01 -0.05 -0.15 0.00 -0.11 0.00 0.00 54.58 54.27 2k21 n ASN 79 Cb 0.37 -0.12 -0.09 0.00 1.24 0.00 0.00 39.78 41.18 2k21 n ASN 79 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2k21 h VAL 80 N 0.01 1.44 -0.33 3.44 2.07 -1.53 -3.32 116.25 118.03 2k21 h VAL 80 Ca -0.55 -2.73 -0.14 0.00 0.82 0.00 0.00 66.70 64.11 2k21 h VAL 80 Cb 2.00 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 34.43 2k21 h VAL 80 CO -0.04 0.81 -0.36 0.22 0.02 0.00 0.00 177.57 178.22 2k21 h TYR 81 N 0.15 0.88 -3.09 1.57 3.20 -1.03 -3.44 116.97 115.22 2k21 h TYR 81 Ca -0.11 -0.25 -0.46 0.00 3.14 0.00 0.00 58.73 61.05 2k21 h TYR 81 Cb 1.77 -0.19 0.04 0.00 1.54 0.00 0.00 36.73 39.89 2k21 h TYR 81 CO 0.06 0.99 0.03 -1.50 -1.64 0.00 0.00 178.16 176.10 2k21 s ILE 82 N -4.38 3.60 0.17 1.81 1.10 -1.25 -5.11 121.20 117.14 2k21 s ILE 82 Ca -0.09 -0.33 0.11 0.00 -0.51 0.00 0.00 60.65 59.83 2k21 s ILE 82 Cb 0.12 -3.38 -0.04 0.00 0.15 0.00 0.00 42.46 39.31 2k21 s ILE 82 CO 0.85 -0.32 -0.23 -1.61 -2.11 0.00 0.00 174.94 171.52 2k21 s GLU 83 N -4.78 1.56 0.00 3.50 2.02 -1.26 -4.87 118.70 114.87 2k21 s GLU 83 Ca 0.52 -1.45 0.15 0.00 0.02 0.00 0.00 54.97 54.21 2k21 s GLU 83 Cb -0.10 -1.90 0.88 0.00 0.10 0.00 0.00 34.13 33.10 2k21 s GLU 83 CO 0.41 0.42 1.33 0.45 0.02 0.00 0.00 175.26 177.88 2k21 n SER 84 N 0.41 0.00 -0.08 -0.19 2.88 -1.26 -2.85 113.62 112.53 2k21 n SER 84 Ca -0.14 -0.39 -0.22 0.00 -1.33 0.00 0.00 58.87 56.79 2k21 n SER 84 Cb 0.55 -0.04 -0.12 0.00 -0.75 0.00 0.00 64.21 63.85 2k21 n SER 84 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k21 n ASP 85 N -1.04 1.99 -0.02 -3.46 -0.08 -1.26 -4.52 116.55 108.15 2k21 n ASP 85 Ca 0.11 0.25 -0.13 0.00 -1.51 0.00 0.00 54.79 53.50 2k21 n ASP 85 Cb 0.06 -0.82 -0.10 0.00 2.34 0.00 0.00 41.12 42.60 2k21 n ASP 85 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k21 h ALA 86 N -0.31 0.02 -6.23 -1.67 0.00 -1.96 -3.48 119.26 105.64 2k21 h ALA 86 Ca -0.47 -0.29 -0.44 0.00 0.00 0.00 0.00 54.91 53.71 2k21 h ALA 86 Cb 1.70 -0.00 0.07 0.00 0.00 0.00 0.00 17.79 19.55 2k21 h ALA 86 CO -0.12 -0.17 -0.92 1.87 0.00 0.00 0.00 179.25 179.90 2k21 n TRP 87 N -4.78 -1.88 -0.08 0.00 -0.00 -1.15 -4.99 117.44 104.55 2k21 n TRP 87 Ca -0.08 0.55 -0.13 0.00 -0.00 0.00 0.00 57.50 57.83 2k21 n TRP 87 Cb 0.30 -3.61 -0.07 0.00 -0.00 0.00 0.00 31.31 27.93 2k21 n TRP 87 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 177.69 178.06 2k21 h GLN 88 N -1.85 0.00 -7.00 5.87 4.15 -1.94 -3.49 115.11 110.85 2k21 h GLN 88 Ca -0.65 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.28 2k21 h GLN 88 Cb 1.36 0.00 0.04 0.00 0.21 0.00 0.00 27.48 29.09 2k21 h GLN 88 CO 0.51 0.56 0.14 -1.21 -1.93 0.00 0.00 178.83 176.90 2k21 s GLU 89 N -2.24 3.40 0.00 1.69 8.01 -1.26 -5.00 118.70 123.29 2k21 s GLU 89 Ca -0.21 0.18 0.28 0.00 0.01 0.00 0.00 54.97 55.23 2k21 s GLU 89 Cb 0.03 -2.34 1.16 0.00 -4.31 0.00 0.00 34.13 28.68 2k21 s GLU 89 CO 0.42 -0.34 1.81 1.63 0.01 0.00 0.00 175.26 178.78 2k21 n LYS 90 N -2.36 1.56 -3.50 1.61 5.02 -1.26 -4.92 118.16 114.30 2k21 n LYS 90 Ca 0.02 -0.81 -0.23 0.00 -2.02 0.00 0.00 58.31 55.27 2k21 n LYS 90 Cb 0.56 -1.47 0.07 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 -0.01 -6.19 -0.11 4.39 9.92 -1.26 -4.76 116.55 118.54 2k21 n ASP 91 Ca 0.20 -0.50 0.02 0.00 -0.53 0.00 0.00 54.79 53.98 2k21 n ASP 91 Cb 0.31 -4.82 0.32 0.00 -0.64 0.00 0.00 41.12 36.28 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 -2.49 0.77 -0.47 -1.24 3.64 -1.95 0.45 116.57 115.28 2k21 h LYS 92 Ca -0.54 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.75 2k21 h LYS 92 Cb 1.35 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 2k21 h LYS 92 CO 0.53 0.54 0.19 0.00 -2.27 0.00 0.00 179.45 178.45 2k21 h ALA 93 N 1.60 0.61 0.20 5.00 0.00 -1.98 -1.74 119.26 122.94 2k21 h ALA 93 Ca 0.21 -0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 2k21 h ALA 93 Cb -0.03 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.59 2k21 h ALA 93 CO -0.04 0.20 -1.59 -0.92 0.00 0.00 0.00 179.25 176.91 2k21 h TYR 94 N 0.61 0.76 0.01 0.00 3.20 -0.68 -2.74 116.97 118.14 2k21 h TYR 94 Ca 0.16 -0.55 0.03 0.00 3.14 0.00 0.00 58.73 61.50 2k21 h TYR 94 Cb 0.18 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 2k21 h TYR 94 CO 0.00 1.62 -0.19 0.28 -1.64 0.00 0.00 178.16 178.23 2k21 h VAL 95 N 0.04 0.55 -0.55 1.81 2.07 -0.58 0.79 116.25 120.38 2k21 h VAL 95 Ca -0.31 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 2k21 h VAL 95 Cb 2.06 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2k21 h VAL 95 CO 0.19 0.00 -0.04 -0.61 0.02 0.00 0.00 177.57 177.14 2k21 h GLN 96 N -0.32 0.96 -0.10 1.57 5.75 -1.39 1.36 115.11 122.95 2k21 h GLN 96 Ca 0.05 -0.31 -0.22 0.00 -0.15 0.00 0.00 58.65 58.03 2k21 h GLN 96 Cb 0.38 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.85 2k21 h GLN 96 CO -0.17 0.97 -0.82 0.00 -2.65 0.00 0.00 178.83 176.16 2k21 h ALA 97 N 1.07 0.37 0.00 3.38 0.00 -1.12 -3.23 119.26 119.74 2k21 h ALA 97 Ca 0.15 -0.63 -0.24 0.00 0.00 0.00 0.00 54.91 54.20 2k21 h ALA 97 Cb 0.57 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.36 2k21 h ALA 97 CO 0.03 0.72 -0.94 -0.09 0.00 0.00 0.00 179.25 178.97 2k21 h ARG 98 N 0.42 0.63 -0.53 0.00 2.43 0.13 -3.19 114.38 114.27 2k21 h ARG 98 Ca -0.06 -0.68 0.11 0.00 -0.81 0.00 0.00 59.98 58.53 2k21 h ARG 98 Cb 1.44 0.20 -0.10 0.00 -0.42 0.00 0.00 29.97 31.09 2k21 h ARG 98 CO 0.16 1.28 -0.09 0.28 -1.51 0.00 0.00 179.97 180.08 2k21 h VAL 99 N 0.27 0.49 -0.17 0.20 2.07 0.17 1.03 116.25 120.31 2k21 h VAL 99 Ca -0.12 -0.01 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 2k21 h VAL 99 Cb 1.61 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2k21 h VAL 99 CO 0.19 0.01 -0.32 0.25 0.02 0.00 0.00 177.57 177.71 2k21 h LEU 100 N 0.03 0.35 0.20 2.57 5.85 -1.59 0.90 115.31 123.62 2k21 h LEU 100 Ca 0.26 -0.13 -0.29 0.00 0.84 0.00 0.00 57.88 58.57 2k21 h LEU 100 Cb 0.41 -0.10 0.02 0.00 0.37 0.00 0.00 40.66 41.36 2k21 h LEU 100 CO -0.52 0.66 -1.33 -0.33 -0.34 0.00 0.00 178.44 176.58 2k21 h GLU 101 N 0.30 0.41 -0.33 1.25 3.07 -1.18 -3.04 114.58 115.06 2k21 h GLU 101 Ca 0.04 -0.71 -0.03 0.00 -0.50 0.00 0.00 59.36 58.16 2k21 h GLU 101 Cb 0.72 0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 2k21 h GLU 101 CO 0.05 1.34 0.09 0.77 -1.40 0.00 0.00 179.01 179.86 2k21 h SER 102 N -0.07 0.49 -0.83 1.42 0.02 0.17 -2.76 113.55 111.99 2k21 h SER 102 Ca -0.25 -0.22 0.14 0.00 -0.84 0.00 0.00 61.79 60.62 2k21 h SER 102 Cb 1.96 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 64.31 2k21 h SER 102 CO 0.20 0.58 0.54 0.22 -1.14 0.00 0.00 176.83 177.23 2k21 h TYR 103 N 0.38 0.70 -0.34 3.45 3.20 0.71 0.31 116.97 125.37 2k21 h TYR 103 Ca 0.10 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.85 2k21 h TYR 103 Cb 0.28 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 2k21 h TYR 103 CO 0.01 0.27 -0.36 -0.22 -1.64 0.00 0.00 178.16 176.22 2k21 h LYS 104 N 0.60 0.85 0.14 1.82 1.63 -1.47 -2.32 116.57 117.82 2k21 h LYS 104 Ca 0.41 -0.46 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2k21 h LYS 104 Cb 0.73 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 2k21 h LYS 104 CO -0.17 1.10 -0.07 1.03 -3.45 0.00 0.00 179.45 177.89 2k21 h SER 105 N 0.64 -0.16 1.71 4.20 0.87 -1.34 -3.34 113.55 116.13 2k21 h SER 105 Ca 0.05 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2k21 h SER 105 Cb 0.95 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2k21 h SER 105 CO 0.09 0.39 -0.06 0.00 -0.53 0.00 0.00 176.83 176.72 2k21 n TYR 107 N -3.12 0.00 -4.11 0.00 9.36 -0.87 -4.85 117.16 113.57 2k21 n TYR 107 Ca 0.03 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.10 2k21 n TYR 107 Cb 0.50 -0.07 -0.12 0.00 -0.63 0.00 0.00 39.34 39.02 2k21 n TYR 107 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2k21 s VAL 108 N -2.10 0.78 -0.39 2.97 -7.23 -1.25 -4.89 120.40 108.28 2k21 s VAL 108 Ca 0.00 -1.18 -0.29 0.00 -1.81 0.00 0.00 61.98 58.70 2k21 s VAL 108 Cb 0.00 -0.81 0.02 0.00 0.56 0.00 0.00 36.38 36.15 2k21 s VAL 108 CO 0.00 -0.32 1.21 0.68 -0.31 0.00 0.00 175.10 176.36 2k21 s VAL 109 N -1.35 4.21 0.00 1.32 -7.23 -1.26 -4.36 120.40 111.72 2k21 s VAL 109 Ca -0.07 1.30 0.00 0.00 -1.81 0.00 0.00 61.98 61.41 2k21 s VAL 109 Cb -0.10 -4.39 0.00 0.00 0.56 0.00 0.00 36.38 32.45 2k21 s VAL 109 CO 0.01 -0.72 0.00 -0.62 -0.31 0.00 0.00 175.10 173.46 2k21 n GLU 110 N 7.54 0.00 -4.14 4.82 -0.58 -1.26 -5.07 120.64 121.95 2k21 n GLU 110 Ca 0.13 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.78 2k21 n GLU 110 Cb 0.48 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.25 2k21 n GLU 110 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2k21 s ASN 111 N -4.00 0.84 0.45 1.62 -0.87 -1.26 -4.91 114.94 106.81 2k21 s ASN 111 Ca 0.00 -1.03 -0.25 0.00 -1.57 0.00 0.00 52.86 50.01 2k21 s ASN 111 Cb 0.00 0.15 -0.08 0.00 -0.02 0.00 0.00 41.25 41.31 2k21 s ASN 111 CO 0.00 -0.54 1.31 -1.00 -2.57 0.00 0.00 177.10 174.29 2k21 s HIS 112 N -3.77 2.67 0.19 2.20 3.76 -1.26 -4.82 115.29 114.26 2k21 s HIS 112 Ca 0.12 1.41 -0.33 0.00 -0.15 0.00 0.00 55.06 56.11 2k21 s HIS 112 Cb 0.07 -3.68 -0.14 0.00 1.11 0.00 0.00 32.58 29.93 2k21 s HIS 112 CO -0.06 -2.26 1.39 1.47 -0.85 0.00 0.00 174.74 174.43 2k21 n LEU 113 N -0.25 2.58 0.03 0.89 -0.00 -1.26 -4.95 117.00 114.03 2k21 n LEU 113 Ca 0.06 1.13 -0.21 0.00 -0.00 0.00 0.00 56.01 56.98 2k21 n LEU 113 Cb 0.44 -1.35 -0.14 0.00 -0.00 0.00 0.00 43.42 42.37 2k21 n LEU 113 CO 0.54 -0.69 -0.68 0.00 -0.00 0.00 0.00 177.39 176.56 2k21 h ALA 114 N 4.48 0.36 0.00 1.47 0.00 -2.01 -3.46 119.26 120.09 2k21 h ALA 114 Ca -0.45 -1.30 -0.21 0.00 0.00 0.00 0.00 54.91 52.95 2k21 h ALA 114 Cb 1.29 0.59 -0.14 0.00 0.00 0.00 0.00 17.79 19.53 2k21 h ALA 114 CO 0.78 1.23 -0.35 0.44 0.00 0.00 0.00 179.25 181.35 2k21 n ILE 115 N -3.49 0.00 -4.23 0.00 -5.35 -1.26 -5.07 119.36 99.96 2k21 n ILE 115 Ca -0.28 -1.33 -0.23 0.00 -0.27 0.00 0.00 62.75 60.65 2k21 n ILE 115 Cb 1.06 1.41 -0.06 0.00 -1.74 0.00 0.00 39.64 40.31 2k21 n ILE 115 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2k21 s GLU 116 N 0.31 2.53 0.57 6.28 0.41 -1.26 -5.14 118.70 122.40 2k21 s GLU 116 Ca 0.24 -1.28 -0.20 0.00 -0.41 0.00 0.00 54.97 53.32 2k21 s GLU 116 Cb 0.28 -2.31 -0.04 0.00 -1.78 0.00 0.00 34.13 30.27 2k21 s GLU 116 CO -0.11 0.38 1.21 -0.65 -0.49 0.00 0.00 175.26 175.60 2k21 s GLN 117 N -3.73 3.12 0.22 1.61 1.11 -1.26 -4.97 119.66 115.76 2k21 s GLN 117 Ca 0.32 1.85 -0.30 0.00 0.01 0.00 0.00 55.36 57.23 2k21 s GLN 117 Cb -0.07 -2.03 -0.10 0.00 -1.01 0.00 0.00 33.01 29.80 2k21 s GLN 117 CO 0.22 -1.09 1.48 -1.25 0.01 0.00 0.00 175.29 174.65 2k21 s PRO 118 N -3.20 4.25 0.15 2.91 0.04 -1.26 -5.04 135.00 132.86 2k21 s PRO 118 Ca 0.75 2.31 0.10 0.00 0.04 0.00 0.00 61.00 64.19 2k21 s PRO 118 Cb -0.31 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 2k21 s PRO 118 CO 0.34 -0.48 -0.22 1.21 0.04 0.00 0.00 177.00 177.90 2k21 s ASN 119 N 0.62 2.98 -0.39 6.66 2.47 -1.26 -5.11 114.94 120.91 2k21 s ASN 119 Ca 0.63 -0.81 -0.28 0.00 0.42 0.00 0.00 52.86 52.82 2k21 s ASN 119 Cb -0.42 -0.19 -0.03 0.00 -1.45 0.00 0.00 41.25 39.16 2k21 s ASN 119 CO 0.39 0.07 1.90 0.28 -3.72 0.00 0.00 177.10 176.02 2k21 s THR 120 N -1.58 3.37 -0.08 -5.21 -1.32 -1.26 -5.03 115.64 104.53 2k21 s THR 120 Ca 0.15 0.35 0.02 0.00 -1.21 0.00 0.00 61.69 60.99 2k21 s THR 120 Cb -0.08 -3.60 -0.02 0.00 -1.51 0.00 0.00 72.50 67.29 2k21 s THR 120 CO 0.07 -0.44 -0.12 -1.38 -2.21 0.00 0.00 174.62 170.54 2k21 s HIS 121 N 7.85 2.80 0.80 9.09 -3.43 -1.26 -5.12 115.29 126.01 2k21 s HIS 121 Ca 0.81 -0.25 -0.11 0.00 -0.80 0.00 0.00 55.06 54.70 2k21 s HIS 121 Cb -0.21 -1.72 0.07 0.00 -1.43 0.00 0.00 32.58 29.29 2k21 s HIS 121 CO 0.31 0.10 1.10 -0.51 -2.00 0.00 0.00 174.74 173.73 2k21 s LEU 122 N -0.40 2.60 0.24 5.38 1.43 -1.26 -4.95 118.68 121.72 2k21 s LEU 122 Ca 0.05 1.29 -0.31 0.00 -1.03 0.00 0.00 54.13 54.13 2k21 s LEU 122 Cb -0.12 -3.91 -0.13 0.00 0.03 0.00 0.00 46.19 42.05 2k21 s LEU 122 CO 0.02 -1.96 1.43 -2.65 0.23 0.00 0.00 176.35 173.43 2k21 n PRO 123 N -3.42 2.10 -1.64 1.29 -0.02 -1.26 -4.89 135.00 127.16 2k21 n PRO 123 Ca 0.07 0.75 -0.50 0.00 -2.02 0.00 0.00 63.50 61.80 2k21 n PRO 123 Cb 0.56 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 2k21 n PRO 123 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k21 n GLU 124 N 2.12 1.81 -4.22 -0.52 1.02 -1.26 -5.01 120.64 114.57 2k21 n GLU 124 Ca 0.12 0.63 -0.26 0.00 -0.02 0.00 0.00 57.16 57.63 2k21 n GLU 124 Cb 0.32 -2.57 -0.08 0.00 -0.02 0.00 0.00 31.44 29.09 2k21 n GLU 124 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2k21 s THR 125 N 4.90 3.66 0.79 2.62 -4.23 -1.26 -5.17 115.64 116.95 2k21 s THR 125 Ca 0.97 -1.49 -0.11 0.00 -1.18 0.00 0.00 61.69 59.88 2k21 s THR 125 Cb -0.76 -2.85 0.06 0.00 1.34 0.00 0.00 72.50 70.30 2k21 s THR 125 CO 0.52 -0.14 1.09 -1.59 -0.54 0.00 0.00 174.62 173.97 2k21 s LYS 126 N -3.01 2.15 0.66 3.99 -2.85 -1.26 -4.89 119.74 114.54 2k21 s LYS 126 Ca 0.28 0.69 -0.16 0.00 -1.00 0.00 0.00 55.97 55.77 2k21 s LYS 126 Cb -0.09 -1.92 0.00 0.00 -2.06 0.00 0.00 37.83 33.76 2k21 s LYS 126 CO 0.18 -1.58 1.17 -1.25 0.10 0.00 0.00 175.35 173.97 2k21 s PRO 127 N -5.13 2.64 0.28 1.78 0.04 -1.26 -5.08 135.00 128.27 2k21 s PRO 127 Ca 0.61 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 63.26 2k21 s PRO 127 Cb -0.14 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2k21 s PRO 127 CO 0.54 -1.42 0.51 -1.54 0.04 0.00 0.00 177.00 175.13 2k21 s SER 128 N -2.10 6.39 0.00 6.66 1.04 -1.26 -5.20 113.70 119.23 2k21 s SER 128 Ca 0.72 0.57 0.21 0.00 0.48 0.00 0.00 55.95 57.94 2k21 s SER 128 Cb -0.26 -2.08 1.28 0.00 0.10 0.00 0.00 66.02 65.06 2k21 s SER 128 CO 0.40 -0.18 1.66 -0.81 0.98 0.00 0.00 173.24 175.29