#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 h GLN 2 N 0.00 0.32 -6.64 1.61 4.20 -2.13 -3.43 115.11 109.04 3i21 h GLN 2 Ca 0.00 -0.02 -0.67 0.00 0.06 0.00 0.00 58.65 58.02 3i21 h GLN 2 Cb 0.00 -0.07 -0.17 0.00 0.30 0.00 0.00 27.48 27.53 3i21 h GLN 2 CO 0.00 0.21 -0.78 0.15 -0.67 0.00 0.00 178.83 177.75 3i21 s LYS 3 N -5.98 1.89 0.09 1.46 1.02 -1.26 -5.13 119.74 111.84 3i21 s LYS 3 Ca -0.12 -1.17 -0.03 0.00 0.02 0.00 0.00 55.97 54.66 3i21 s LYS 3 Cb 0.23 -2.15 -0.05 0.00 -0.52 0.00 0.00 37.83 35.34 3i21 s LYS 3 CO 0.77 0.48 0.30 0.54 -0.92 0.00 0.00 175.35 176.51 3i21 s VAL 4 N -1.27 5.27 -0.31 3.17 0.11 -1.26 -5.02 120.40 121.10 3i21 s VAL 4 Ca 0.20 -0.11 -0.27 0.00 -2.93 0.00 0.00 61.98 58.86 3i21 s VAL 4 Cb -0.10 -3.62 -0.05 0.00 -1.53 0.00 0.00 36.38 31.08 3i21 s VAL 4 CO 0.12 0.13 2.25 -2.28 -3.33 0.00 0.00 175.10 171.98 3i21 s HIS 5 N -1.55 1.18 0.11 1.54 2.46 -1.26 -4.88 115.29 112.90 3i21 s HIS 5 Ca 0.37 0.85 -0.31 0.00 0.47 0.00 0.00 55.06 56.44 3i21 s HIS 5 Cb -0.13 -3.84 -0.10 0.00 -0.13 0.00 0.00 32.58 28.39 3i21 s HIS 5 CO 0.25 -3.54 1.58 -1.00 -2.47 0.00 0.00 174.74 169.56 3i21 h PRO 6 N 16.29 -0.61 -0.79 2.88 0.13 -1.95 0.20 132.00 148.15 3i21 h PRO 6 Ca -0.35 0.04 0.13 0.00 -0.87 0.00 0.00 66.00 64.95 3i21 h PRO 6 Cb 1.24 0.14 -0.09 0.00 0.13 0.00 0.00 31.00 32.42 3i21 h PRO 6 CO 1.03 -0.41 0.38 -0.97 -0.23 0.00 0.00 178.00 177.80 3i21 h ASN 7 N -0.63 0.43 -0.15 1.44 -1.24 -1.87 -2.22 115.58 111.34 3i21 h ASN 7 Ca 0.03 0.09 -0.04 0.00 0.71 0.00 0.00 56.30 57.09 3i21 h ASN 7 Cb 0.68 0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.75 3i21 h ASN 7 CO -0.27 0.19 -0.06 1.23 -1.29 0.00 0.00 177.43 177.23 3i21 h GLY 8 N 0.56 0.34 0.92 1.57 0.00 -1.76 -3.28 103.07 101.42 3i21 h GLY 8 Ca 0.43 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 3i21 h GLY 8 CO -0.36 0.27 -0.20 1.19 0.00 0.00 0.00 176.54 177.44 3i21 h ILE 9 N -0.00 0.59 0.00 2.60 6.09 -0.25 -2.80 117.51 123.74 3i21 h ILE 9 Ca 0.04 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 3i21 h ILE 9 Cb 0.51 0.67 0.00 0.00 0.47 0.00 0.00 36.82 38.47 3i21 h ILE 9 CO 0.02 0.03 0.00 0.54 -3.07 0.00 0.00 178.15 175.67 3i21 n ARG 10 N -5.30 0.64 0.11 2.19 1.74 -0.87 -4.02 116.66 111.16 3i21 n ARG 10 Ca -0.11 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.84 3i21 n ARG 10 Cb 0.26 -1.05 -0.06 0.00 -1.02 0.00 0.00 32.46 30.59 3i21 n ARG 10 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3i21 h LEU 11 N 0.06 -0.43 -1.64 0.55 3.38 -1.55 0.52 115.31 116.19 3i21 h LEU 11 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i21 h LEU 11 Cb 0.05 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3i21 h LEU 11 CO 0.00 -0.24 0.00 1.23 0.09 0.00 0.00 178.44 179.52 3i21 h GLY 12 N -0.33 0.00 -7.33 0.83 0.00 -1.81 -3.35 103.07 91.07 3i21 h GLY 12 Ca 0.01 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.79 3i21 h GLY 12 CO -0.06 0.00 -0.77 -0.42 0.00 0.00 0.00 176.54 175.29 3i21 s ILE 13 N -3.66 0.84 -1.09 2.60 -1.09 0.17 -4.86 121.20 114.11 3i21 s ILE 13 Ca -0.01 -0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 57.48 3i21 s ILE 13 Cb 0.09 -1.36 0.00 0.00 -1.58 0.00 0.00 42.46 39.61 3i21 s ILE 13 CO 0.36 -0.29 0.92 0.52 -1.23 0.00 0.00 174.94 175.22 3i21 n VAL 14 N 4.91 -4.53 -3.63 2.92 0.31 -1.24 -4.66 118.33 112.41 3i21 n VAL 14 Ca -0.08 -0.32 -0.06 0.00 -0.01 0.00 0.00 64.34 63.88 3i21 n VAL 14 Cb 0.45 -4.41 -0.06 0.00 -0.91 0.00 0.00 33.84 28.91 3i21 n VAL 14 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i21 s LYS 15 N -5.46 0.27 0.26 5.55 2.47 -1.23 -4.75 119.74 116.85 3i21 s LYS 15 Ca 0.14 0.21 0.03 0.00 -1.56 0.00 0.00 55.97 54.79 3i21 s LYS 15 Cb -0.06 0.13 -0.03 0.00 -1.46 0.00 0.00 37.83 36.40 3i21 s LYS 15 CO 0.64 -0.06 0.41 -1.25 0.16 0.00 0.00 175.35 175.25 3i21 s PRO 16 N -0.35 3.46 0.00 4.03 0.04 -1.26 -4.60 135.00 136.33 3i21 s PRO 16 Ca 0.05 -0.56 0.00 0.00 0.04 0.00 0.00 61.00 60.53 3i21 s PRO 16 Cb -0.03 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.68 3i21 s PRO 16 CO -0.08 0.36 0.00 0.91 0.04 0.00 0.00 177.00 178.22 3i21 n TRP 17 N -1.32 0.00 0.00 0.56 8.01 -1.26 -5.01 117.44 118.42 3i21 n TRP 17 Ca -0.07 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.12 3i21 n TRP 17 Cb 0.56 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.86 3i21 n TRP 17 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 3i21 n ASN 18 N 0.00 1.25 -3.68 -0.99 5.03 -1.26 -4.83 115.26 110.77 3i21 n ASN 18 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 3i21 n ASN 18 Cb 0.00 0.05 0.02 0.00 -1.02 0.00 0.00 39.78 38.83 3i21 n ASN 18 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3i21 n SER 19 N -1.50 7.19 -3.04 6.41 7.64 -1.26 0.22 113.62 129.28 3i21 n SER 19 Ca 0.00 -3.65 -0.31 0.00 1.01 0.00 0.00 58.87 55.92 3i21 n SER 19 Cb 0.14 -1.18 -0.05 0.00 -1.01 0.00 0.00 64.21 62.12 3i21 n SER 19 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3i21 n THR 20 N 0.14 3.69 -3.55 0.44 5.66 -1.16 -4.80 114.28 114.69 3i21 n THR 20 Ca 0.44 -2.15 0.00 0.00 -3.05 0.00 0.00 64.05 59.29 3i21 n THR 20 Cb 0.27 -2.41 0.00 0.00 -1.55 0.00 0.00 70.33 66.65 3i21 n THR 20 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 3i21 n TRP 21 N 3.49 0.00 -3.91 1.09 4.27 -1.26 -4.86 117.44 116.26 3i21 n TRP 21 Ca 0.65 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 54.16 3i21 n TRP 21 Cb 0.33 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.18 3i21 n TRP 21 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3i21 s PHE 22 N -0.40 0.13 0.14 -2.67 5.36 -1.26 -5.05 117.98 114.23 3i21 s PHE 22 Ca 0.00 -0.33 -0.05 0.00 -0.96 0.00 0.00 56.93 55.58 3i21 s PHE 22 Cb 0.00 -0.10 0.02 0.00 -0.34 0.00 0.00 43.02 42.60 3i21 s PHE 22 CO 0.00 -0.32 0.29 0.00 -1.46 0.00 0.00 175.22 173.73 3i21 n ALA 23 N 1.15 -0.64 -2.53 11.12 0.00 -1.26 -4.98 120.51 123.37 3i21 n ALA 23 Ca -0.21 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3i21 n ALA 23 Cb 0.57 0.37 0.00 0.00 0.00 0.00 0.00 19.45 20.39 3i21 n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i21 n ASN 24 N -1.22 0.00 0.00 0.00 3.02 -1.26 -5.02 115.26 110.78 3i21 n ASN 24 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 3i21 n ASN 24 Cb 0.22 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 3i21 n ASN 24 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3i21 n THR 25 N 0.00 0.00 0.89 3.41 -1.04 -1.26 -4.19 114.28 112.09 3i21 n THR 25 Ca 0.00 -0.28 0.11 0.00 -2.04 0.00 0.00 64.05 61.85 3i21 n THR 25 Cb 0.00 1.38 0.30 0.00 -1.82 0.00 0.00 70.33 70.19 3i21 n THR 25 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i21 n LYS 26 N -0.08 2.08 0.00 -2.82 4.76 -1.26 -4.44 118.16 116.39 3i21 n LYS 26 Ca 0.00 -1.61 0.00 0.00 -2.87 0.00 0.00 58.31 53.83 3i21 n LYS 26 Cb 0.09 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 3i21 n LYS 26 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3i21 n GLU 27 N 0.86 0.00 -0.23 1.97 0.00 -1.26 -4.99 120.64 116.99 3i21 n GLU 27 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.32 3i21 n GLU 27 Cb 0.46 0.00 0.11 0.00 0.00 0.00 0.00 31.44 32.01 3i21 n GLU 27 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3i21 h PHE 28 N 0.00 0.65 -0.59 -1.84 3.57 -1.78 0.79 116.94 117.74 3i21 h PHE 28 Ca 0.00 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.65 3i21 h PHE 28 Cb 0.23 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3i21 h PHE 28 CO 0.00 0.29 0.40 0.00 -2.23 0.00 0.00 178.31 176.77 3i21 h ALA 29 N 1.37 2.17 0.04 2.41 0.00 -1.90 -1.43 119.26 121.93 3i21 h ALA 29 Ca 0.31 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.96 3i21 h ALA 29 Cb 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3i21 h ALA 29 CO -0.21 -0.32 -1.04 -0.44 0.00 0.00 0.00 179.25 177.24 3i21 h ASP 30 N 0.28 0.53 0.51 0.00 5.19 0.06 -2.15 116.42 120.84 3i21 h ASP 30 Ca 0.28 -0.46 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 3i21 h ASP 30 Cb 0.72 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.06 3i21 h ASP 30 CO -0.06 1.29 0.00 0.59 -3.12 0.00 0.00 179.24 177.94 3i21 n ASN 31 N -3.69 0.00 -0.10 6.45 5.03 0.43 -1.92 115.26 121.46 3i21 n ASN 31 Ca -0.08 0.12 -0.18 0.00 0.87 0.00 0.00 54.58 55.32 3i21 n ASN 31 Cb 0.90 -0.35 -0.07 0.00 -1.02 0.00 0.00 39.78 39.24 3i21 n ASN 31 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3i21 n LEU 32 N -1.35 1.90 -0.12 3.41 4.77 -0.84 -3.47 117.00 121.30 3i21 n LEU 32 Ca 0.09 0.42 -0.13 0.00 -0.03 0.00 0.00 56.01 56.36 3i21 n LEU 32 Cb 0.20 -0.85 -0.09 0.00 -2.33 0.00 0.00 43.42 40.35 3i21 n LEU 32 CO 0.18 0.08 0.52 -0.78 -1.33 0.00 0.00 177.39 176.06 3i21 h ASP 33 N -1.00 -1.74 0.16 -1.43 -0.00 -1.36 0.75 116.42 111.80 3i21 h ASP 33 Ca -0.30 0.23 0.01 0.00 -0.00 0.00 0.00 57.03 56.98 3i21 h ASP 33 Cb 1.16 0.72 -0.04 0.00 -0.00 0.00 0.00 39.33 41.17 3i21 h ASP 33 CO -0.18 -0.41 -0.47 0.77 -0.00 0.00 0.00 179.24 178.96 3i21 h SER 34 N -0.40 -1.37 -1.48 2.28 4.64 -1.63 0.88 113.55 116.46 3i21 h SER 34 Ca 0.09 0.14 0.43 0.00 -0.47 0.00 0.00 61.79 61.98 3i21 h SER 34 Cb 0.61 0.50 -0.07 0.00 -0.31 0.00 0.00 62.40 63.13 3i21 h SER 34 CO -0.58 -0.53 1.05 -0.78 -0.87 0.00 0.00 176.83 175.12 3i21 h ASP 35 N -0.73 0.06 0.53 4.97 3.58 -1.21 0.62 116.42 124.24 3i21 h ASP 35 Ca 0.00 0.02 -0.28 0.00 0.42 0.00 0.00 57.03 57.20 3i21 h ASP 35 Cb 0.73 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.75 3i21 h ASP 35 CO -0.24 -0.02 -1.65 -0.26 -2.88 0.00 0.00 179.24 174.19 3i21 h PHE 36 N 0.03 0.00 -0.46 0.28 0.04 0.27 -3.32 116.94 113.79 3i21 h PHE 36 Ca 0.73 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.56 3i21 h PHE 36 Cb 2.80 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 40.90 3i21 h PHE 36 CO -0.00 0.97 0.15 0.87 -0.60 0.00 0.00 178.31 179.70 3i21 h LYS 37 N 0.00 0.31 -0.45 1.51 1.79 0.65 -0.42 116.57 119.96 3i21 h LYS 37 Ca -0.26 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.13 3i21 h LYS 37 Cb 1.97 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 32.54 3i21 h LYS 37 CO 0.08 0.20 0.04 -0.39 -1.08 0.00 0.00 179.45 178.30 3i21 h VAL 38 N 0.32 1.25 -0.78 0.50 -1.51 -1.49 -0.54 116.25 114.00 3i21 h VAL 38 Ca 0.22 -0.97 0.01 0.00 -1.23 0.00 0.00 66.70 64.73 3i21 h VAL 38 Cb 0.23 1.00 -0.04 0.00 -2.13 0.00 0.00 31.29 30.35 3i21 h VAL 38 CO -0.24 0.34 0.51 0.03 -1.23 0.00 0.00 177.57 176.99 3i21 h ARG 39 N 0.62 1.01 -0.02 5.19 3.08 -1.62 2.10 114.38 124.74 3i21 h ARG 39 Ca 0.13 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3i21 h ARG 39 Cb 0.44 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3i21 h ARG 39 CO 0.02 0.67 0.04 0.37 -1.07 0.00 0.00 179.97 179.99 3i21 h GLN 40 N 1.04 0.00 0.00 0.04 5.75 -0.33 -2.18 115.11 119.43 3i21 h GLN 40 Ca 0.29 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.43 3i21 h GLN 40 Cb -0.10 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.39 3i21 h GLN 40 CO -0.07 0.00 -2.12 0.98 -2.65 0.00 0.00 178.83 174.97 3i21 n TYR 41 N -3.62 0.11 -0.25 3.99 -0.00 0.32 -3.91 117.16 113.81 3i21 n TYR 41 Ca -0.02 0.05 0.26 0.00 -0.00 0.00 0.00 57.90 58.18 3i21 n TYR 41 Cb 0.12 -0.92 0.62 0.00 -0.00 0.00 0.00 39.34 39.16 3i21 n TYR 41 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 3i21 h LEU 42 N -1.00 0.22 0.19 2.98 -0.00 0.33 -0.15 115.31 117.89 3i21 h LEU 42 Ca -0.54 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.36 3i21 h LEU 42 Cb 1.46 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.11 3i21 h LEU 42 CO -0.33 0.07 -0.09 0.71 -0.00 0.00 0.00 178.44 178.80 3i21 h THR 43 N 0.21 0.00 -0.54 0.22 1.35 -1.60 0.57 112.91 113.12 3i21 h THR 43 Ca 0.50 -0.49 0.16 0.00 -0.55 0.00 0.00 66.41 66.03 3i21 h THR 43 Cb 1.59 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 3i21 h THR 43 CO -0.12 0.00 0.70 0.50 -0.25 0.00 0.00 175.52 176.35 3i21 h LYS 44 N -0.74 0.00 0.00 4.72 3.11 -1.58 0.31 116.57 122.38 3i21 h LYS 44 Ca -0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 3i21 h LYS 44 Cb 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 3i21 h LYS 44 CO 0.04 0.00 -0.13 0.39 -2.81 0.00 0.00 179.45 176.95 3i21 n GLU 45 N -3.41 0.10 0.00 1.90 1.02 -0.10 -4.37 120.64 115.77 3i21 n GLU 45 Ca 0.11 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 3i21 n GLU 45 Cb 0.89 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i21 n GLU 45 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i21 n LEU 46 N -2.78 1.55 0.00 -4.62 4.77 0.20 -4.50 117.00 111.63 3i21 n LEU 46 Ca -0.02 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 3i21 n LEU 46 Cb 0.07 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3i21 n LEU 46 CO 0.03 0.26 0.18 0.00 -1.33 0.00 0.00 177.39 176.53 3i21 n ALA 47 N 0.67 0.00 0.32 -1.18 0.00 0.10 -2.25 120.51 118.17 3i21 n ALA 47 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3i21 n ALA 47 Cb 0.26 0.07 0.53 0.00 0.00 0.00 0.00 19.45 20.31 3i21 n ALA 47 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i21 h LYS 48 N 0.00 0.00 0.00 0.00 3.64 -1.86 -2.81 116.57 115.54 3i21 h LYS 48 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i21 h LYS 48 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3i21 h LYS 48 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 3i21 n ALA 49 N -1.74 2.08 -3.40 5.00 0.00 -0.96 -4.86 120.51 116.63 3i21 n ALA 49 Ca -0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 3i21 n ALA 49 Cb 0.58 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3i21 n ALA 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i21 n SER 50 N -0.62 -6.43 -4.85 0.00 7.64 -1.06 -4.13 113.62 104.16 3i21 n SER 50 Ca 0.03 -0.49 -0.37 0.00 1.01 0.00 0.00 58.87 59.05 3i21 n SER 50 Cb 0.01 -3.64 -0.06 0.00 -1.01 0.00 0.00 64.21 59.52 3i21 n SER 50 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i21 s VAL 51 N -3.00 5.15 0.00 0.44 0.11 -1.26 -2.52 120.40 119.31 3i21 s VAL 51 Ca 0.01 0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 3i21 s VAL 51 Cb -0.00 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.21 3i21 s VAL 51 CO 0.82 0.55 0.00 -1.20 -3.33 0.00 0.00 175.10 171.94 3i21 n SER 52 N 1.74 0.00 -4.68 3.54 7.64 -0.76 -4.76 113.62 116.34 3i21 n SER 52 Ca -0.15 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.45 3i21 n SER 52 Cb 0.53 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.90 3i21 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i21 s ARG 53 N 3.99 0.47 -0.39 1.43 1.70 -1.26 -4.89 118.95 120.00 3i21 s ARG 53 Ca 0.00 0.55 0.03 0.00 -0.47 0.00 0.00 55.73 55.84 3i21 s ARG 53 Cb 0.00 -1.74 0.16 0.00 -0.57 0.00 0.00 34.95 32.80 3i21 s ARG 53 CO 0.00 -2.71 0.37 -1.50 -1.08 0.00 0.00 175.30 170.37 3i21 s ILE 54 N -2.95 -0.13 0.44 4.99 2.07 -1.26 -2.75 121.20 121.60 3i21 s ILE 54 Ca 0.65 -1.57 -0.23 0.00 -1.41 0.00 0.00 60.65 58.09 3i21 s ILE 54 Cb -0.19 -0.84 -0.08 0.00 0.13 0.00 0.00 42.46 41.48 3i21 s ILE 54 CO 0.58 -0.78 1.13 0.68 -1.91 0.00 0.00 174.94 174.63 3i21 s VAL 55 N 0.94 3.31 0.02 4.00 -7.23 -1.13 -4.85 120.40 115.46 3i21 s VAL 55 Ca 0.23 0.99 0.04 0.00 -1.81 0.00 0.00 61.98 61.43 3i21 s VAL 55 Cb -0.11 -3.51 -0.02 0.00 0.56 0.00 0.00 36.38 33.31 3i21 s VAL 55 CO -0.06 -0.00 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.97 3i21 s ILE 56 N -1.57 0.96 -0.09 -0.62 1.01 0.60 -1.95 121.20 119.54 3i21 s ILE 56 Ca 0.61 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 3i21 s ILE 56 Cb -0.27 -0.86 0.04 0.00 0.01 0.00 0.00 42.46 41.38 3i21 s ILE 56 CO 0.33 0.07 0.03 -1.61 0.00 0.00 0.00 174.94 173.75 3i21 s GLU 57 N -0.83 0.37 -0.56 2.79 2.02 -1.26 -3.00 118.70 118.22 3i21 s GLU 57 Ca 0.02 0.11 -0.02 0.00 0.02 0.00 0.00 54.97 55.09 3i21 s GLU 57 Cb -0.07 -1.05 0.15 0.00 0.10 0.00 0.00 34.13 33.25 3i21 s GLU 57 CO 0.01 -0.38 0.36 -0.98 0.02 0.00 0.00 175.26 174.28 3i21 s ARG 58 N 2.03 2.36 0.00 1.61 1.70 -1.26 -0.12 118.95 125.27 3i21 s ARG 58 Ca 0.04 -2.36 0.00 0.00 -0.47 0.00 0.00 55.73 52.94 3i21 s ARG 58 Cb -0.13 -3.65 0.00 0.00 -0.57 0.00 0.00 34.95 30.60 3i21 s ARG 58 CO -0.05 -1.14 0.00 -0.35 -1.08 0.00 0.00 175.30 172.68 3i21 n PRO 59 N 3.73 0.08 -2.92 3.89 -0.04 -1.11 -4.64 135.00 133.99 3i21 n PRO 59 Ca 0.05 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.08 3i21 n PRO 59 Cb 0.38 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.79 3i21 n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i21 s ALA 60 N -3.19 3.26 -1.51 0.55 0.00 -1.26 -4.33 121.76 115.28 3i21 s ALA 60 Ca 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 3i21 s ALA 60 Cb 0.00 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.68 3i21 s ALA 60 CO 0.00 -2.04 0.27 1.63 0.00 0.00 0.00 175.76 175.63 3i21 n LYS 61 N 6.91 -0.84 -3.92 0.00 4.76 -1.26 -4.90 118.16 118.91 3i21 n LYS 61 Ca 0.02 0.10 -0.10 0.00 -2.87 0.00 0.00 58.31 55.47 3i21 n LYS 61 Cb 0.48 -3.64 -0.06 0.00 -1.84 0.00 0.00 35.03 29.96 3i21 n LYS 61 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i21 s SER 62 N -3.56 -0.02 -0.22 4.39 0.15 -1.26 -3.21 113.70 109.97 3i21 s SER 62 Ca 0.38 -0.79 -0.08 0.00 0.70 0.00 0.00 55.95 56.16 3i21 s SER 62 Cb -0.22 0.47 0.10 0.00 -1.71 0.00 0.00 66.02 64.65 3i21 s SER 62 CO 0.89 -0.93 0.47 -0.51 1.20 0.00 0.00 173.24 174.36 3i21 s ILE 63 N -3.95 -0.68 -0.11 6.45 2.07 -0.66 -2.76 121.20 121.56 3i21 s ILE 63 Ca 0.16 0.13 -0.22 0.00 -1.41 0.00 0.00 60.65 59.30 3i21 s ILE 63 Cb 0.02 -0.74 -0.27 0.00 0.13 0.00 0.00 42.46 41.60 3i21 s ILE 63 CO -0.00 0.05 0.68 0.03 -1.91 0.00 0.00 174.94 173.79 3i21 h ARG 64 N 8.06 0.17 -6.05 3.50 3.08 -0.81 -0.01 114.38 122.33 3i21 h ARG 64 Ca -0.17 -0.28 -0.22 0.00 0.07 0.00 0.00 59.98 59.37 3i21 h ARG 64 Cb 1.11 0.11 0.01 0.00 0.08 0.00 0.00 29.97 31.28 3i21 h ARG 64 CO 0.12 1.14 -0.95 0.28 -1.07 0.00 0.00 179.97 179.50 3i21 n VAL 65 N -4.23 -6.67 -2.96 2.04 0.31 -1.26 -3.53 118.33 102.03 3i21 n VAL 65 Ca -0.18 0.45 -0.41 0.00 -0.01 0.00 0.00 64.34 64.19 3i21 n VAL 65 Cb 0.74 -4.98 -0.05 0.00 -0.91 0.00 0.00 33.84 28.64 3i21 n VAL 65 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3i21 s THR 66 N -1.86 4.89 -0.38 2.52 2.01 -0.82 -3.83 115.64 118.18 3i21 s THR 66 Ca 0.31 1.46 -0.15 0.00 0.31 0.00 0.00 61.69 63.61 3i21 s THR 66 Cb -0.05 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.40 3i21 s THR 66 CO 0.79 -0.01 0.35 -0.63 -0.69 0.00 0.00 174.62 174.43 3i21 s ILE 67 N 2.54 5.19 0.08 1.82 -1.09 -1.11 -2.83 121.20 125.79 3i21 s ILE 67 Ca 0.33 -0.25 -0.28 0.00 -2.23 0.00 0.00 60.65 58.22 3i21 s ILE 67 Cb -0.16 -3.88 -0.06 0.00 -1.58 0.00 0.00 42.46 36.78 3i21 s ILE 67 CO 0.09 -0.21 0.87 -1.00 -1.23 0.00 0.00 174.94 173.45 3i21 s HIS 68 N 1.93 3.78 0.14 3.97 3.76 -1.11 -1.17 115.29 126.59 3i21 s HIS 68 Ca 0.09 1.64 -0.24 0.00 -0.15 0.00 0.00 55.06 56.41 3i21 s HIS 68 Cb -0.17 -2.94 0.07 0.00 1.11 0.00 0.00 32.58 30.64 3i21 s HIS 68 CO 0.12 0.24 0.72 -0.08 -0.85 0.00 0.00 174.74 174.88 3i21 s THR 69 N -0.03 0.00 -0.11 1.30 -1.32 -1.26 -1.83 115.64 112.40 3i21 s THR 69 Ca 0.43 -0.22 -0.20 0.00 -1.21 0.00 0.00 61.69 60.48 3i21 s THR 69 Cb -0.22 -1.25 -0.27 0.00 -1.51 0.00 0.00 72.50 69.25 3i21 s THR 69 CO 0.27 0.00 0.62 0.00 -2.21 0.00 0.00 174.62 173.30 3i21 h ALA 70 N 2.00 0.10 -2.54 11.08 0.00 -1.70 0.18 119.26 128.37 3i21 h ALA 70 Ca -0.28 -0.91 -0.71 0.00 0.00 0.00 0.00 54.91 53.00 3i21 h ALA 70 Cb 1.28 0.35 -0.35 0.00 0.00 0.00 0.00 17.79 19.07 3i21 h ALA 70 CO 0.33 0.57 0.03 0.54 0.00 0.00 0.00 179.25 180.72 3i21 n ARG 71 N -4.15 3.03 0.19 0.00 1.74 -1.26 -4.51 116.66 111.71 3i21 n ARG 71 Ca -0.21 -4.53 0.18 0.00 -0.77 0.00 0.00 57.85 52.52 3i21 n ARG 71 Cb 0.78 -2.42 0.82 0.00 -1.02 0.00 0.00 32.46 30.63 3i21 n ARG 71 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3i21 h PRO 72 N 5.62 0.00 -0.28 5.56 0.13 -1.90 -2.45 132.00 138.68 3i21 h PRO 72 Ca 0.18 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.35 3i21 h PRO 72 Cb 0.75 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.81 3i21 h PRO 72 CO 0.96 0.00 -0.50 0.78 -0.23 0.00 0.00 178.00 179.01 3i21 h GLY 73 N 0.00 -1.12 1.07 1.56 0.00 -1.97 -0.90 103.07 101.71 3i21 h GLY 73 Ca 0.10 0.72 0.00 0.00 0.00 0.00 0.00 47.33 48.15 3i21 h GLY 73 CO -0.00 -0.20 0.00 4.51 0.00 0.00 0.00 176.54 180.85 3i21 n ILE 74 N -5.11 0.09 -0.13 2.60 3.06 -0.92 -1.72 119.36 117.24 3i21 n ILE 74 Ca -0.04 0.02 -0.21 0.00 -2.50 0.00 0.00 62.75 60.02 3i21 n ILE 74 Cb 0.32 -0.83 -0.11 0.00 0.54 0.00 0.00 39.64 39.56 3i21 n ILE 74 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 3i21 n VAL 75 N -1.04 1.41 0.00 9.51 0.31 -0.51 -4.89 118.33 123.13 3i21 n VAL 75 Ca 0.09 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 3i21 n VAL 75 Cb 0.05 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 3i21 n VAL 75 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i21 n ILE 76 N -3.55 0.00 0.00 2.52 5.41 -0.46 -2.66 119.36 120.62 3i21 n ILE 76 Ca -0.46 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.29 3i21 n ILE 76 Cb 0.93 -0.30 0.00 0.00 -0.71 0.00 0.00 39.64 39.56 3i21 n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i21 n GLY 77 N 2.84 0.42 2.59 7.39 0.00 -0.70 -3.84 105.19 113.89 3i21 n GLY 77 Ca 0.00 0.62 -0.25 0.00 0.00 0.00 0.00 46.02 46.39 3i21 n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i21 n LYS 78 N 0.00 2.27 -4.19 1.61 4.81 -1.26 -4.54 118.16 116.86 3i21 n LYS 78 Ca 0.00 -1.57 -0.30 0.00 -0.87 0.00 0.00 58.31 55.57 3i21 n LYS 78 Cb 0.00 -2.51 -0.07 0.00 0.02 0.00 0.00 35.03 32.47 3i21 n LYS 78 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3i21 n LYS 79 N 4.23 -1.58 -0.98 1.64 4.01 -1.26 -1.06 118.16 123.16 3i21 n LYS 79 Ca 0.49 0.18 0.00 0.00 -0.51 0.00 0.00 58.31 58.47 3i21 n LYS 79 Cb 0.15 -3.80 0.00 0.00 -0.51 0.00 0.00 35.03 30.87 3i21 n LYS 79 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i21 n GLY 80 N -2.37 0.51 0.30 0.72 0.00 -1.25 -4.87 105.19 98.23 3i21 n GLY 80 Ca -0.31 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.75 3i21 n GLY 80 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i21 h GLU 81 N 1.21 0.49 0.00 1.61 4.22 -1.29 -1.90 114.58 118.91 3i21 h GLU 81 Ca 0.00 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.35 3i21 h GLU 81 Cb 0.13 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3i21 h GLU 81 CO 0.00 0.34 -0.72 -0.44 -2.18 0.00 0.00 179.01 176.01 3i21 h ASP 82 N 0.50 0.00 0.69 1.04 3.45 -1.72 -3.16 116.42 117.22 3i21 h ASP 82 Ca 0.13 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.59 3i21 h ASP 82 Cb -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3i21 h ASP 82 CO -0.03 0.24 -0.06 1.33 -1.57 0.00 0.00 179.24 179.15 3i21 n VAL 83 N -2.96 0.00 0.11 -1.35 0.24 -0.77 -2.98 118.33 110.62 3i21 n VAL 83 Ca -0.01 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.34 62.08 3i21 n VAL 83 Cb 0.65 -0.37 -0.15 0.00 -1.47 0.00 0.00 33.84 32.50 3i21 n VAL 83 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3i21 h GLU 84 N 0.09 0.39 0.00 7.34 4.22 -1.38 0.52 114.58 125.76 3i21 h GLU 84 Ca 0.00 -0.67 0.00 0.00 0.08 0.00 0.00 59.36 58.77 3i21 h GLU 84 Cb 0.39 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3i21 h GLU 84 CO 0.00 1.30 0.00 1.63 -2.18 0.00 0.00 179.01 179.76 3i21 n LYS 85 N -3.59 0.28 -0.01 1.92 4.76 -1.16 -1.55 118.16 118.82 3i21 n LYS 85 Ca -0.16 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.27 3i21 n LYS 85 Cb 1.07 -1.32 -0.01 0.00 -1.84 0.00 0.00 35.03 32.93 3i21 n LYS 85 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i21 n LEU 86 N -0.82 2.28 0.00 -0.35 4.77 -1.16 -4.67 117.00 117.06 3i21 n LEU 86 Ca 0.04 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3i21 n LEU 86 Cb 0.02 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3i21 n LEU 86 CO 0.03 0.41 0.00 0.54 -1.33 0.00 0.00 177.39 177.04 3i21 n ARG 87 N -2.43 0.00 0.30 3.23 1.74 0.16 -2.04 116.66 117.63 3i21 n ARG 87 Ca -0.03 0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.22 3i21 n ARG 87 Cb 0.53 -0.37 0.97 0.00 -1.02 0.00 0.00 32.46 32.57 3i21 n ARG 87 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3i21 h LYS 88 N 0.00 0.00 -0.46 5.56 3.11 -1.85 0.31 116.57 123.23 3i21 h LYS 88 Ca 0.00 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 3i21 h LYS 88 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 3i21 h LYS 88 CO 0.00 0.00 0.14 0.28 -2.81 0.00 0.00 179.45 177.06 3i21 h VAL 89 N 0.00 1.23 0.00 2.00 2.07 -1.74 -1.91 116.25 117.90 3i21 h VAL 89 Ca 0.01 -0.76 -0.25 0.00 0.82 0.00 0.00 66.70 66.51 3i21 h VAL 89 Cb 0.05 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3i21 h VAL 89 CO -0.00 0.27 -1.70 1.33 0.02 0.00 0.00 177.57 177.49 3i21 n VAL 90 N -4.53 1.40 0.38 2.57 0.24 -0.58 -2.96 118.33 114.85 3i21 n VAL 90 Ca 0.01 -0.76 0.05 0.00 -2.04 0.00 0.00 64.34 61.60 3i21 n VAL 90 Cb 0.19 -0.84 0.23 0.00 -1.47 0.00 0.00 33.84 31.95 3i21 n VAL 90 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i21 n ALA 91 N -2.52 1.50 -0.11 2.33 0.00 0.98 -2.41 120.51 120.28 3i21 n ALA 91 Ca -0.16 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 3i21 n ALA 91 Cb 0.98 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 3i21 n ALA 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i21 n ASP 92 N -1.47 1.98 0.03 0.00 4.64 -0.72 -4.15 116.55 116.85 3i21 n ASP 92 Ca 0.03 0.08 0.09 0.00 -1.38 0.00 0.00 54.79 53.61 3i21 n ASP 92 Cb 0.12 -0.52 0.38 0.00 -1.04 0.00 0.00 41.12 40.06 3i21 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i21 n ILE 93 N -3.59 0.85 0.03 5.18 0.13 -1.15 -1.97 119.36 118.84 3i21 n ILE 93 Ca -0.42 0.20 -0.00 0.00 -1.10 0.00 0.00 62.75 61.43 3i21 n ILE 93 Cb 0.87 -0.98 -0.08 0.00 -0.84 0.00 0.00 39.64 38.61 3i21 n ILE 93 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i21 h ALA 94 N 2.49 0.66 0.00 1.51 0.00 -1.69 -3.49 119.26 118.74 3i21 h ALA 94 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3i21 h ALA 94 Cb 0.32 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i21 h ALA 94 CO 0.00 0.91 0.00 0.41 0.00 0.00 0.00 179.25 180.57 3i21 n GLY 95 N 1.39 2.85 3.97 0.00 0.00 -0.83 -5.03 105.19 107.53 3i21 n GLY 95 Ca -0.09 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 3i21 n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i21 s VAL 96 N 0.00 4.06 0.44 1.61 -7.23 -1.26 -4.89 120.40 113.13 3i21 s VAL 96 Ca 0.00 -0.68 -0.22 0.00 -1.81 0.00 0.00 61.98 59.26 3i21 s VAL 96 Cb 0.00 -3.47 -0.11 0.00 0.56 0.00 0.00 36.38 33.36 3i21 s VAL 96 CO 0.00 -0.27 0.72 -2.65 -0.31 0.00 0.00 175.10 172.59 3i21 n PRO 97 N -1.91 0.84 -4.80 4.82 -0.02 -1.20 -4.68 135.00 128.05 3i21 n PRO 97 Ca 0.01 0.31 -0.30 0.00 -2.02 0.00 0.00 63.50 61.49 3i21 n PRO 97 Cb 0.58 -1.73 -0.17 0.00 -0.02 0.00 0.00 33.50 32.16 3i21 n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i21 s ALA 98 N -1.42 1.98 -1.14 3.55 0.00 -1.26 -1.66 121.76 121.80 3i21 s ALA 98 Ca 0.64 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 3i21 s ALA 98 Cb -0.57 -0.84 0.25 0.00 0.00 0.00 0.00 23.12 21.96 3i21 s ALA 98 CO 0.57 0.09 1.91 0.94 0.00 0.00 0.00 175.76 179.26 3i21 n GLN 99 N 3.88 4.84 -0.67 0.00 7.27 -0.02 -4.91 117.38 127.77 3i21 n GLN 99 Ca -0.20 -4.21 -0.26 0.00 0.07 0.00 0.00 57.00 52.40 3i21 n GLN 99 Cb 0.52 -2.57 -0.04 0.00 2.41 0.00 0.00 30.24 30.56 3i21 n GLN 99 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 3i21 n ILE 100 N 1.05 0.00 -3.74 1.69 0.13 -1.26 -4.72 119.36 112.51 3i21 n ILE 100 Ca 0.46 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.98 3i21 n ILE 100 Cb 0.28 -0.14 -0.09 0.00 -0.84 0.00 0.00 39.64 38.85 3i21 n ILE 100 CO 0.00 0.00 0.00 0.20 2.80 0.00 0.00 176.55 179.55 3i21 s ASN 101 N 0.86 -0.31 0.17 9.51 0.01 -1.23 -5.09 114.94 118.85 3i21 s ASN 101 Ca 0.41 0.45 0.01 0.00 -0.71 0.00 0.00 52.86 53.02 3i21 s ASN 101 Cb -0.58 0.55 -0.04 0.00 0.41 0.00 0.00 41.25 41.59 3i21 s ASN 101 CO 0.30 -0.29 0.03 0.27 -1.51 0.00 0.00 177.10 175.90 3i21 s ILE 102 N -0.55 0.48 0.48 0.60 -4.36 -1.26 -2.77 121.20 113.83 3i21 s ILE 102 Ca -0.07 -1.96 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 3i21 s ILE 102 Cb -0.04 -2.14 -0.00 0.00 1.25 0.00 0.00 42.46 41.53 3i21 s ILE 102 CO 0.03 -0.43 0.03 0.00 0.24 0.00 0.00 174.94 174.80 3i21 n ALA 103 N -0.21 0.45 -2.36 2.27 0.00 -0.32 -4.80 120.51 115.54 3i21 n ALA 103 Ca -0.06 -2.20 -0.24 0.00 0.00 0.00 0.00 53.44 50.94 3i21 n ALA 103 Cb 0.64 1.25 -0.04 0.00 0.00 0.00 0.00 19.45 21.30 3i21 n ALA 103 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i21 s GLU 104 N -3.75 2.33 -0.23 0.00 2.12 -1.26 -4.13 118.70 113.77 3i21 s GLU 104 Ca 0.04 -1.82 -0.03 0.00 0.36 0.00 0.00 54.97 53.53 3i21 s GLU 104 Cb 0.00 -2.13 0.12 0.00 0.26 0.00 0.00 34.13 32.38 3i21 s GLU 104 CO 0.03 -0.30 0.29 0.08 -0.54 0.00 0.00 175.26 174.82 3i21 s VAL 105 N -2.62 -0.44 0.06 3.70 1.01 0.63 -4.25 120.40 118.49 3i21 s VAL 105 Ca 0.40 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 3i21 s VAL 105 Cb -0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 3i21 s VAL 105 CO 0.23 -0.23 0.38 0.00 0.00 0.00 0.00 175.10 175.48 3i21 s ARG 106 N 2.41 3.75 -0.95 2.72 3.03 -1.26 -4.42 118.95 124.23 3i21 s ARG 106 Ca 0.09 0.16 -0.07 0.00 2.03 0.00 0.00 55.73 57.95 3i21 s ARG 106 Cb -0.15 -3.04 -0.03 0.00 -1.03 0.00 0.00 34.95 30.70 3i21 s ARG 106 CO -0.18 0.59 0.80 1.63 -1.13 0.00 0.00 175.30 177.02 3i21 n LYS 107 N 1.06 -1.68 0.01 3.89 5.02 -1.26 -4.86 118.16 120.34 3i21 n LYS 107 Ca -0.09 0.98 0.04 0.00 -2.02 0.00 0.00 58.31 57.23 3i21 n LYS 107 Cb 0.52 -5.21 0.20 0.00 -0.02 0.00 0.00 35.03 30.52 3i21 n LYS 107 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3i21 n PRO 108 N -2.90 0.01 0.00 1.97 -0.04 -1.26 -1.79 135.00 130.98 3i21 n PRO 108 Ca -0.07 0.36 0.15 0.00 -0.04 0.00 0.00 63.50 63.90 3i21 n PRO 108 Cb 0.58 -1.52 0.82 0.00 -0.04 0.00 0.00 33.50 33.34 3i21 n PRO 108 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i21 n GLU 109 N -1.53 0.98 0.00 0.54 4.07 -1.26 -3.52 120.64 119.91 3i21 n GLU 109 Ca 0.02 -0.17 0.00 0.00 -0.06 0.00 0.00 57.16 56.95 3i21 n GLU 109 Cb 0.10 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.99 3i21 n GLU 109 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3i21 n LEU 110 N -0.86 0.35 -4.70 4.31 0.00 -0.74 -4.60 117.00 110.76 3i21 n LEU 110 Ca 0.21 -0.61 -0.38 0.00 0.00 0.00 0.00 56.01 55.23 3i21 n LEU 110 Cb 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.54 3i21 n LEU 110 CO 0.19 0.09 0.16 -0.62 0.00 0.00 0.00 177.39 177.21 3i21 s ASP 111 N -0.51 6.59 0.00 1.96 3.68 -1.23 -4.97 116.67 122.19 3i21 s ASP 111 Ca 0.00 0.70 0.00 0.00 2.13 0.00 0.00 52.55 55.38 3i21 s ASP 111 Cb 0.00 -2.27 0.00 0.00 -1.45 0.00 0.00 42.92 39.20 3i21 s ASP 111 CO 0.00 -0.06 0.02 0.00 0.13 0.00 0.00 175.17 175.27 3i21 n ALA 112 N 4.11 0.00 -0.17 3.66 0.00 -1.26 -2.06 120.51 124.79 3i21 n ALA 112 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.40 3i21 n ALA 112 Cb 0.51 0.01 0.07 0.00 0.00 0.00 0.00 19.45 20.04 3i21 n ALA 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i21 n LYS 113 N -0.05 -0.04 0.00 0.00 4.81 -1.26 -2.11 118.16 119.51 3i21 n LYS 113 Ca 0.00 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 3i21 n LYS 113 Cb 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 33.97 3i21 n LYS 113 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3i21 n LEU 114 N -4.75 0.02 0.06 3.14 4.77 -0.88 -2.50 117.00 116.86 3i21 n LEU 114 Ca 0.08 0.92 0.21 0.00 -0.03 0.00 0.00 56.01 57.19 3i21 n LEU 114 Cb 0.23 -0.47 0.68 0.00 -2.33 0.00 0.00 43.42 41.54 3i21 n LEU 114 CO -0.06 -0.47 1.19 1.62 -1.33 0.00 0.00 177.39 178.34 3i21 h VAL 115 N 0.00 0.26 -0.10 4.08 3.04 -0.95 0.83 116.25 123.40 3i21 h VAL 115 Ca 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.62 3i21 h VAL 115 Cb 0.00 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 29.80 3i21 h VAL 115 CO 0.00 0.00 -0.21 0.00 -1.01 0.00 0.00 177.57 176.35 3i21 h ALA 116 N 1.27 0.16 0.00 3.17 0.00 -1.52 -2.84 119.26 119.50 3i21 h ALA 116 Ca 0.23 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3i21 h ALA 116 Cb 1.41 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 3i21 h ALA 116 CO -0.00 0.12 -0.03 -0.44 0.00 0.00 0.00 179.25 178.90 3i21 h ASP 117 N -0.12 0.00 -0.14 0.00 3.45 0.92 0.39 116.42 120.92 3i21 h ASP 117 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 3i21 h ASP 117 Cb 0.80 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.56 3i21 h ASP 117 CO 0.05 0.03 0.06 -1.28 -1.57 0.00 0.00 179.24 176.52 3i21 h SER 118 N 0.00 0.20 -0.23 6.45 0.87 -0.99 -1.09 113.55 118.75 3i21 h SER 118 Ca -0.00 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.32 3i21 h SER 118 Cb 0.27 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3i21 h SER 118 CO 0.00 0.30 -0.12 0.40 -0.53 0.00 0.00 176.83 176.88 3i21 h ILE 119 N 0.08 1.25 -0.29 2.23 2.04 -0.71 -1.36 117.51 120.75 3i21 h ILE 119 Ca 0.05 -1.11 -0.14 0.00 1.00 0.00 0.00 64.86 64.66 3i21 h ILE 119 Cb 0.16 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 3i21 h ILE 119 CO -0.00 0.37 0.17 0.41 0.00 0.00 0.00 178.15 179.10 3i21 n THR 120 N -4.18 1.56 -0.86 -0.27 -1.04 0.12 -2.35 114.28 107.26 3i21 n THR 120 Ca 0.01 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 3i21 n THR 120 Cb 0.35 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 3i21 n THR 120 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3i21 n SER 121 N 0.02 0.27 0.00 8.00 7.64 -0.44 -4.82 113.62 124.29 3i21 n SER 121 Ca 0.17 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.92 3i21 n SER 121 Cb 0.82 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 3i21 n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i21 n GLN 122 N -0.06 0.00 0.00 1.43 10.64 -1.14 -4.65 117.38 123.59 3i21 n GLN 122 Ca 0.00 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.30 3i21 n GLN 122 Cb 0.45 -0.14 0.38 0.00 -0.86 0.00 0.00 30.24 30.07 3i21 n GLN 122 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3i21 n LEU 123 N 0.00 0.97 -0.06 2.61 0.00 -0.99 -2.17 117.00 117.37 3i21 n LEU 123 Ca 0.00 -0.24 0.11 0.00 0.00 0.00 0.00 56.01 55.88 3i21 n LEU 123 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 43.42 43.35 3i21 n LEU 123 CO 0.00 0.18 0.11 -0.62 0.00 0.00 0.00 177.39 177.06 3i21 n GLU 124 N -0.71 0.15 -0.40 1.96 4.71 -1.26 -4.11 120.64 120.98 3i21 n GLU 124 Ca 0.12 -0.12 0.08 0.00 -0.01 0.00 0.00 57.16 57.23 3i21 n GLU 124 Cb 0.34 -1.50 0.26 0.00 -1.01 0.00 0.00 31.44 29.54 3i21 n GLU 124 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3i21 n ARG 125 N -1.32 3.16 -3.70 3.49 5.12 -1.15 -4.98 116.66 117.27 3i21 n ARG 125 Ca 0.05 -2.56 -0.31 0.00 -1.93 0.00 0.00 57.85 53.11 3i21 n ARG 125 Cb 0.35 -1.62 0.03 0.00 -1.16 0.00 0.00 32.46 30.06 3i21 n ARG 125 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i21 n ARG 126 N 0.67 -1.13 -0.25 5.56 5.12 -1.22 -4.90 116.66 120.51 3i21 n ARG 126 Ca 0.20 0.51 0.07 0.00 -1.93 0.00 0.00 57.85 56.70 3i21 n ARG 126 Cb 0.69 -3.85 0.19 0.00 -1.16 0.00 0.00 32.46 28.33 3i21 n ARG 126 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 3i21 n VAL 127 N -3.97 1.22 -1.99 1.55 0.24 -0.92 -5.02 118.33 109.43 3i21 n VAL 127 Ca -0.11 -1.13 -0.00 0.00 -2.04 0.00 0.00 64.34 61.06 3i21 n VAL 127 Cb 0.59 0.38 -0.00 0.00 -1.47 0.00 0.00 33.84 33.34 3i21 n VAL 127 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3i21 n MET 128 N 0.49 -1.51 -0.31 7.34 2.81 -1.26 -4.61 117.12 120.07 3i21 n MET 128 Ca 0.15 1.48 0.31 0.00 -1.81 0.00 0.00 57.70 57.83 3i21 n MET 128 Cb 0.53 -2.80 0.56 0.00 -0.71 0.00 0.00 33.22 30.80 3i21 n MET 128 CO 0.00 0.00 0.00 1.97 1.51 0.00 0.00 175.97 179.45 3i21 n PHE 129 N 0.34 1.12 0.00 2.03 -1.74 -1.26 -1.93 117.46 116.01 3i21 n PHE 129 Ca -0.02 1.14 0.00 0.00 -0.56 0.00 0.00 57.45 58.01 3i21 n PHE 129 Cb 0.03 -1.54 0.00 0.00 1.52 0.00 0.00 39.48 39.50 3i21 n PHE 129 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3i21 n ARG 130 N -5.19 0.00 -0.34 3.97 1.74 -1.26 -1.43 116.66 114.14 3i21 n ARG 130 Ca 0.36 0.00 0.24 0.00 -0.77 0.00 0.00 57.85 57.69 3i21 n ARG 130 Cb 1.24 -0.30 0.48 0.00 -1.02 0.00 0.00 32.46 32.86 3i21 n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i21 h ARG 131 N 0.00 0.32 0.00 5.56 3.08 -1.84 -2.67 114.38 118.83 3i21 h ARG 131 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3i21 h ARG 131 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3i21 h ARG 131 CO 0.00 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 179.11 3i21 n ALA 132 N -2.31 0.00 -0.34 0.04 0.00 -0.52 0.19 120.51 117.57 3i21 n ALA 132 Ca 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.72 3i21 n ALA 132 Cb 0.99 0.47 0.10 0.00 0.00 0.00 0.00 19.45 21.02 3i21 n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 h MET 133 N 0.00 1.26 -0.90 0.00 -0.00 -1.10 -0.96 114.93 113.24 3i21 h MET 133 Ca 0.00 -0.13 0.20 0.00 -0.00 0.00 0.00 59.70 59.76 3i21 h MET 133 Cb 0.00 -0.26 -0.11 0.00 -0.00 0.00 0.00 31.60 31.23 3i21 h MET 133 CO 0.00 0.90 0.44 -0.22 -0.00 0.00 0.00 176.91 178.03 3i21 h LYS 134 N 1.27 0.50 -0.12 -0.10 3.11 -0.30 -1.45 116.57 119.47 3i21 h LYS 134 Ca 0.33 -0.03 -0.21 0.00 -2.81 0.00 0.00 60.65 57.92 3i21 h LYS 134 Cb -0.01 -0.11 0.01 0.00 -1.00 0.00 0.00 32.23 31.12 3i21 h LYS 134 CO -0.06 0.33 -0.75 -0.09 -2.81 0.00 0.00 179.45 176.07 3i21 h ARG 135 N 0.51 0.73 -0.30 1.90 2.43 0.33 -3.10 114.38 116.88 3i21 h ARG 135 Ca 0.54 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3i21 h ARG 135 Cb 0.93 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3i21 h ARG 135 CO -0.46 1.23 0.00 0.00 -1.51 0.00 0.00 179.97 179.23 3i21 n ALA 136 N -2.60 1.94 0.00 2.80 0.00 -0.56 -2.71 120.51 119.37 3i21 n ALA 136 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i21 n ALA 136 Cb 0.73 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3i21 n ALA 136 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i21 n VAL 137 N -0.11 0.00 0.26 0.00 0.31 -1.12 -4.68 118.33 112.99 3i21 n VAL 137 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 3i21 n VAL 137 Cb 0.08 -0.55 -0.08 0.00 -0.91 0.00 0.00 33.84 32.37 3i21 n VAL 137 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3i21 h GLN 138 N 0.00 -0.73 -3.15 5.55 7.50 -1.52 -2.61 115.11 120.16 3i21 h GLN 138 Ca 0.00 0.05 -0.32 0.00 0.50 0.00 0.00 58.65 58.88 3i21 h GLN 138 Cb 0.98 0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.68 3i21 h GLN 138 CO 0.00 -0.49 1.97 0.27 -1.50 0.00 0.00 178.83 179.08 3i21 n ASN 139 N -5.46 4.61 0.00 1.46 2.04 -1.19 -1.08 115.26 115.65 3i21 n ASN 139 Ca -0.11 -2.27 0.00 0.00 -0.44 0.00 0.00 54.58 51.77 3i21 n ASN 139 Cb 0.35 -1.05 0.00 0.00 -2.53 0.00 0.00 39.78 36.56 3i21 n ASN 139 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3i21 n ALA 140 N 3.78 0.00 1.47 -2.53 0.00 -1.10 -4.64 120.51 117.49 3i21 n ALA 140 Ca 0.41 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.99 3i21 n ALA 140 Cb 0.24 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.29 3i21 n ALA 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i21 n MET 141 N -1.10 0.95 -0.10 0.00 2.81 -0.52 -3.68 117.12 115.48 3i21 n MET 141 Ca 0.00 -0.40 -0.17 0.00 -1.81 0.00 0.00 57.70 55.32 3i21 n MET 141 Cb 0.00 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 30.95 3i21 n MET 141 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3i21 n ARG 142 N -0.67 0.54 -1.03 0.03 0.63 -0.25 -4.57 116.66 111.34 3i21 n ARG 142 Ca 0.16 0.37 -0.31 0.00 -0.92 0.00 0.00 57.85 57.15 3i21 n ARG 142 Cb 0.28 -1.57 -0.02 0.00 0.45 0.00 0.00 32.46 31.60 3i21 n ARG 142 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3i21 n LEU 143 N -4.42 6.11 0.00 6.15 4.32 -1.24 -4.89 117.00 123.02 3i21 n LEU 143 Ca -0.29 -3.42 0.00 0.00 -0.02 0.00 0.00 56.01 52.28 3i21 n LEU 143 Cb 0.61 -1.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.14 3i21 n LEU 143 CO 0.13 0.97 0.00 0.61 -1.22 0.00 0.00 177.39 177.88 3i21 n GLY 144 N 3.82 2.39 1.41 -0.72 0.00 -1.25 -4.79 105.19 106.05 3i21 n GLY 144 Ca 0.56 -0.32 0.17 0.00 0.00 0.00 0.00 46.02 46.43 3i21 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i21 n ALA 145 N 11.17 -3.71 -1.97 4.61 0.00 -1.25 -4.15 120.51 125.21 3i21 n ALA 145 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.23 3i21 n ALA 145 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 3i21 n ALA 145 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i21 n LYS 146 N -4.25 0.00 0.00 0.00 5.02 0.52 -4.90 118.16 114.55 3i21 n LYS 146 Ca -0.06 -0.88 0.00 0.00 -2.02 0.00 0.00 58.31 55.34 3i21 n LYS 146 Cb 0.67 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 35.23 3i21 n LYS 146 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i21 n GLY 147 N 0.00 1.07 3.63 0.72 0.00 -1.05 -2.92 105.19 106.64 3i21 n GLY 147 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 3i21 n GLY 147 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i21 s ILE 148 N -1.91 0.00 -0.30 -0.61 1.10 0.26 -2.31 121.20 117.43 3i21 s ILE 148 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 60.03 3i21 s ILE 148 Cb 0.00 -1.00 0.15 0.00 0.15 0.00 0.00 42.46 41.76 3i21 s ILE 148 CO 0.00 0.00 0.77 -0.75 -2.11 0.00 0.00 174.94 172.85 3i21 s LYS 149 N 0.41 0.47 0.28 3.50 2.36 -0.75 -0.60 119.74 125.41 3i21 s LYS 149 Ca -0.00 1.12 0.10 0.00 -2.55 0.00 0.00 55.97 54.64 3i21 s LYS 149 Cb -0.05 0.67 -0.04 0.00 -1.05 0.00 0.00 37.83 37.36 3i21 s LYS 149 CO 0.00 -0.22 -0.03 0.14 1.55 0.00 0.00 175.35 176.79 3i21 s VAL 150 N 2.76 3.23 -0.36 4.02 -7.23 -1.10 -0.49 120.40 121.23 3i21 s VAL 150 Ca -0.01 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 3i21 s VAL 150 Cb -0.10 -2.76 0.15 0.00 0.56 0.00 0.00 36.38 34.22 3i21 s VAL 150 CO -0.18 -0.36 0.36 -0.70 -0.31 0.00 0.00 175.10 173.90 3i21 s GLU 151 N -3.66 0.60 0.35 4.82 2.12 -0.14 -4.05 118.70 118.74 3i21 s GLU 151 Ca 0.32 -0.81 -0.26 0.00 0.36 0.00 0.00 54.97 54.58 3i21 s GLU 151 Cb -0.06 -0.75 -0.09 0.00 0.26 0.00 0.00 34.13 33.49 3i21 s GLU 151 CO 0.19 -1.18 1.06 0.14 -0.54 0.00 0.00 175.26 174.94 3i21 s VAL 152 N 1.52 3.64 -0.17 3.70 -7.23 -1.20 -2.45 120.40 118.22 3i21 s VAL 152 Ca 0.16 1.40 -0.11 0.00 -1.81 0.00 0.00 61.98 61.63 3i21 s VAL 152 Cb -0.16 -3.80 0.06 0.00 0.56 0.00 0.00 36.38 33.04 3i21 s VAL 152 CO -0.07 0.15 0.42 -0.94 -0.31 0.00 0.00 175.10 174.35 3i21 s SER 153 N -1.31 -0.51 0.00 4.85 1.04 0.90 -3.36 113.70 115.31 3i21 s SER 153 Ca 0.53 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.85 3i21 s SER 153 Cb -0.26 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3i21 s SER 153 CO 0.32 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.97 3i21 n GLY 154 N 3.94 0.55 3.57 7.32 0.00 -1.07 -0.36 105.19 119.13 3i21 n GLY 154 Ca -0.21 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.62 3i21 n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i21 s ARG 155 N -0.88 2.37 -0.18 1.61 1.81 -1.26 -3.28 118.95 119.14 3i21 s ARG 155 Ca 0.00 -0.84 -0.29 0.00 -1.72 0.00 0.00 55.73 52.88 3i21 s ARG 155 Cb 0.00 -5.16 -0.01 0.00 -0.45 0.00 0.00 34.95 29.33 3i21 s ARG 155 CO 0.00 -3.98 1.24 -0.51 -0.68 0.00 0.00 175.30 171.37 3i21 s LEU 156 N 11.42 4.17 0.00 2.53 1.43 -1.26 -2.73 118.68 134.23 3i21 s LEU 156 Ca 0.71 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 3i21 s LEU 156 Cb -0.03 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3i21 s LEU 156 CO 0.10 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 176.54 3i21 n GLY 157 N 3.58 1.92 0.00 -3.19 0.00 -1.26 -3.05 105.19 103.19 3i21 n GLY 157 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3i21 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i21 n GLY 158 N 0.00 1.89 3.67 -0.02 0.00 -1.11 -5.08 105.19 104.54 3i21 n GLY 158 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i21 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i21 s ALA 159 N -2.00 3.62 0.26 4.61 0.00 -1.17 -4.84 121.76 122.24 3i21 s ALA 159 Ca 0.00 0.96 0.15 0.00 0.00 0.00 0.00 51.96 53.06 3i21 s ALA 159 Cb 0.00 -3.73 0.96 0.00 0.00 0.00 0.00 23.12 20.36 3i21 s ALA 159 CO 0.00 -1.33 1.13 -1.91 0.00 0.00 0.00 175.76 173.65 3i21 n GLU 160 N 6.84 -0.04 -3.26 0.00 4.07 -1.26 -3.82 120.64 123.16 3i21 n GLU 160 Ca 0.17 0.99 -0.38 0.00 -0.06 0.00 0.00 57.16 57.87 3i21 n GLU 160 Cb 0.43 -1.78 -0.06 0.00 -0.06 0.00 0.00 31.44 29.97 3i21 n GLU 160 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 3i21 s ILE 161 N -5.09 5.16 0.67 6.31 -0.00 -1.26 -5.07 121.20 121.92 3i21 s ILE 161 Ca -0.06 1.04 -0.12 0.00 -0.00 0.00 0.00 60.65 61.51 3i21 s ILE 161 Cb 0.24 -3.86 -0.00 0.00 -0.00 0.00 0.00 42.46 38.84 3i21 s ILE 161 CO 0.56 0.30 1.06 0.00 -0.00 0.00 0.00 174.94 176.86 3i21 s ALA 162 N 0.72 2.72 0.30 2.27 0.00 -1.25 -4.83 121.76 121.68 3i21 s ALA 162 Ca 0.28 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 52.17 3i21 s ALA 162 Cb -0.16 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.84 3i21 s ALA 162 CO 0.12 -1.11 0.84 -0.98 0.00 0.00 0.00 175.76 174.62 3i21 s ARG 163 N -4.89 1.84 -0.16 0.00 1.70 -1.21 -5.04 118.95 111.18 3i21 s ARG 163 Ca 0.59 -1.13 -0.07 0.00 -0.47 0.00 0.00 55.73 54.65 3i21 s ARG 163 Cb -0.14 0.55 0.07 0.00 -0.57 0.00 0.00 34.95 34.86 3i21 s ARG 163 CO 0.52 -0.86 0.36 -0.08 -1.08 0.00 0.00 175.30 174.16 3i21 s THR 164 N -2.75 -0.39 0.10 4.99 -1.32 -1.26 -2.61 115.64 112.39 3i21 s THR 164 Ca 0.15 0.18 0.09 0.00 -1.21 0.00 0.00 61.69 60.91 3i21 s THR 164 Cb -0.04 -0.57 -0.04 0.00 -1.51 0.00 0.00 72.50 70.34 3i21 s THR 164 CO 0.08 0.08 -0.21 -1.61 -2.21 0.00 0.00 174.62 170.74 3i21 s GLU 165 N 2.17 1.72 0.00 7.08 2.02 -1.21 -5.06 118.70 125.43 3i21 s GLU 165 Ca -0.03 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.77 3i21 s GLU 165 Cb -0.11 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.07 3i21 s GLU 165 CO -0.11 0.48 0.00 -2.67 0.02 0.00 0.00 175.26 172.98 3i21 n TRP 166 N 1.05 0.00 -0.48 1.61 2.14 -1.26 -3.20 117.44 117.29 3i21 n TRP 166 Ca -0.17 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.40 3i21 n TRP 166 Cb 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.03 3i21 n TRP 166 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 3i21 n TYR 167 N -1.11 0.00 -4.08 -2.67 4.02 -1.26 -4.33 117.16 107.73 3i21 n TYR 167 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.79 3i21 n TYR 167 Cb 0.00 -1.27 -0.11 0.00 -0.02 0.00 0.00 39.34 37.95 3i21 n TYR 167 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3i21 s ARG 168 N -2.28 0.58 -0.10 -0.72 3.52 -1.26 -2.72 118.95 115.96 3i21 s ARG 168 Ca 0.00 -1.00 -0.17 0.00 -0.13 0.00 0.00 55.73 54.44 3i21 s ARG 168 Cb 0.00 -0.04 0.04 0.00 -1.56 0.00 0.00 34.95 33.39 3i21 s ARG 168 CO 0.00 -0.03 0.41 -2.00 -0.81 0.00 0.00 175.30 172.87 3i21 s GLU 169 N -2.76 0.62 3.41 5.12 2.56 0.23 -5.00 118.70 122.87 3i21 s GLU 169 Ca -0.01 0.29 0.00 0.00 0.00 0.00 0.00 54.97 55.25 3i21 s GLU 169 Cb -0.01 0.29 0.00 0.00 2.00 0.00 0.00 34.13 36.41 3i21 s GLU 169 CO -0.04 -0.13 0.00 0.41 -0.56 0.00 0.00 175.26 174.94 3i21 n GLY 170 N 2.10 0.19 2.77 -1.50 0.00 -1.26 -0.57 105.19 106.91 3i21 n GLY 170 Ca -0.17 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 3i21 n GLY 170 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i21 s ARG 171 N 0.00 0.78 -0.79 1.61 1.70 -1.15 -4.82 118.95 116.28 3i21 s ARG 171 Ca 0.00 -0.26 0.02 0.00 -0.47 0.00 0.00 55.73 55.03 3i21 s ARG 171 Cb 0.00 -1.71 0.29 0.00 -0.57 0.00 0.00 34.95 32.96 3i21 s ARG 171 CO 0.00 -0.49 1.09 0.28 -1.08 0.00 0.00 175.30 175.10 3i21 n VAL 172 N 5.05 3.68 -1.70 4.99 0.31 -1.26 -4.46 118.33 124.94 3i21 n VAL 172 Ca -0.09 -5.56 -0.25 0.00 -0.01 0.00 0.00 64.34 58.43 3i21 n VAL 172 Cb 0.48 -1.91 -0.05 0.00 -0.91 0.00 0.00 33.84 31.45 3i21 n VAL 172 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3i21 s PRO 173 N -2.94 2.01 0.34 5.55 0.04 -1.26 -4.78 135.00 133.97 3i21 s PRO 173 Ca 0.39 0.65 0.03 0.00 0.04 0.00 0.00 61.00 62.11 3i21 s PRO 173 Cb 0.15 -4.72 0.63 0.00 0.04 0.00 0.00 34.50 30.60 3i21 s PRO 173 CO -0.01 -3.74 1.98 -0.07 0.04 0.00 0.00 177.00 175.20 3i21 h LEU 174 N 20.25 0.75 -0.28 -3.56 -0.00 -1.99 -2.68 115.31 127.80 3i21 h LEU 174 Ca -0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 3i21 h LEU 174 Cb 1.10 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 3i21 h LEU 174 CO 1.11 0.53 0.00 1.41 -0.00 0.00 0.00 178.44 181.48 3i21 n HIS 175 N -4.45 0.59 -2.83 1.13 8.25 -1.26 -4.65 115.22 112.00 3i21 n HIS 175 Ca 0.08 0.21 -0.42 0.00 -0.26 0.00 0.00 57.72 57.33 3i21 n HIS 175 Cb 0.10 -0.83 -0.04 0.00 1.12 0.00 0.00 29.99 30.34 3i21 n HIS 175 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i21 s THR 176 N -3.16 4.81 -1.44 1.59 2.01 -1.01 -4.92 115.64 113.51 3i21 s THR 176 Ca 0.08 1.70 0.00 0.00 0.31 0.00 0.00 61.69 63.78 3i21 s THR 176 Cb 0.12 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.45 3i21 s THR 176 CO 0.45 -0.07 0.66 0.18 -0.69 0.00 0.00 174.62 175.14 3i21 n LEU 177 N 5.88 0.50 -2.71 4.42 4.77 -1.26 -3.13 117.00 125.47 3i21 n LEU 177 Ca 0.07 -0.25 -0.02 0.00 -0.03 0.00 0.00 56.01 55.78 3i21 n LEU 177 Cb 0.47 -0.25 0.11 0.00 -2.33 0.00 0.00 43.42 41.42 3i21 n LEU 177 CO 0.49 0.13 0.48 -2.11 -1.33 0.00 0.00 177.39 175.04 3i21 n ARG 178 N -0.20 1.45 -0.83 3.23 -4.01 -1.26 -4.83 116.66 110.22 3i21 n ARG 178 Ca 0.00 -1.78 0.07 0.00 -1.04 0.00 0.00 57.85 55.11 3i21 n ARG 178 Cb 0.13 -0.07 0.39 0.00 -3.04 0.00 0.00 32.46 29.86 3i21 n ARG 178 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3i21 n ALA 179 N -1.31 3.70 -2.53 2.89 0.00 -1.18 -4.16 120.51 117.91 3i21 n ALA 179 Ca -0.12 -1.80 -0.03 0.00 0.00 0.00 0.00 53.44 51.49 3i21 n ALA 179 Cb 0.86 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3i21 n ALA 179 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i21 n ASP 180 N 0.72 -0.57 -4.11 0.00 5.75 -1.26 -4.21 116.55 112.87 3i21 n ASP 180 Ca 0.27 -0.11 -0.37 0.00 -0.01 0.00 0.00 54.79 54.57 3i21 n ASP 180 Cb 1.12 -0.19 -0.10 0.00 -1.03 0.00 0.00 41.12 40.92 3i21 n ASP 180 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3i21 s ILE 181 N -1.94 3.61 0.45 2.12 1.01 -1.26 -3.40 121.20 121.79 3i21 s ILE 181 Ca 0.00 -2.59 -0.23 0.00 0.00 0.00 0.00 60.65 57.84 3i21 s ILE 181 Cb -0.00 -3.39 -0.08 0.00 0.01 0.00 0.00 42.46 39.00 3i21 s ILE 181 CO 0.11 -0.81 1.13 -0.62 0.00 0.00 0.00 174.94 174.74 3i21 s ASP 182 N 1.19 6.29 -0.10 3.58 3.68 -1.14 -4.59 116.67 125.60 3i21 s ASP 182 Ca 0.13 2.21 -0.07 0.00 2.13 0.00 0.00 52.55 56.96 3i21 s ASP 182 Cb -0.21 -2.59 0.04 0.00 -1.45 0.00 0.00 42.92 38.70 3i21 s ASP 182 CO -0.04 -0.82 0.24 -0.47 0.13 0.00 0.00 175.17 174.21 3i21 s TYR 183 N -1.61 -0.30 -0.05 -5.34 5.04 -1.26 -3.21 117.35 110.61 3i21 s TYR 183 Ca 0.63 0.72 -0.10 0.00 -2.44 0.00 0.00 57.07 55.87 3i21 s TYR 183 Cb -0.26 0.07 0.02 0.00 0.35 0.00 0.00 41.96 42.14 3i21 s TYR 183 CO 0.32 -0.18 0.24 1.21 -1.34 0.00 0.00 175.55 175.80 3i21 s ASN 184 N 0.73 -0.18 -0.10 4.32 2.47 -1.25 -4.79 114.94 116.14 3i21 s ASN 184 Ca -0.05 0.22 -0.19 0.00 0.42 0.00 0.00 52.86 53.26 3i21 s ASN 184 Cb -0.06 0.39 -0.04 0.00 -1.45 0.00 0.00 41.25 40.09 3i21 s ASN 184 CO -0.04 -0.26 0.53 -0.89 -3.72 0.00 0.00 177.10 172.71 3i21 s THR 185 N -0.65 5.15 -0.05 -5.21 2.01 -1.26 -3.82 115.64 111.81 3i21 s THR 185 Ca -0.07 1.07 -0.00 0.00 0.31 0.00 0.00 61.69 62.99 3i21 s THR 185 Cb -0.04 -3.87 0.03 0.00 0.01 0.00 0.00 72.50 68.63 3i21 s THR 185 CO 0.02 0.32 -0.01 -0.55 -0.69 0.00 0.00 174.62 173.71 3i21 s SER 186 N 0.61 1.10 0.00 3.53 0.15 -0.62 -5.03 113.70 113.44 3i21 s SER 186 Ca 0.29 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.86 3i21 s SER 186 Cb -0.16 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 3i21 s SER 186 CO 0.12 -0.14 0.00 -0.62 1.20 0.00 0.00 173.24 173.81 3i21 n GLU 187 N 4.61 3.36 0.00 5.44 1.02 -1.26 -1.17 120.64 132.65 3i21 n GLU 187 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 3i21 n GLU 187 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 3i21 n GLU 187 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i21 n ALA 188 N -3.00 0.00 -3.13 0.62 0.00 -1.26 -4.58 120.51 109.16 3i21 n ALA 188 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 3i21 n ALA 188 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3i21 n ALA 188 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3i21 s HIS 189 N -0.01 3.57 0.44 0.00 0.09 -1.26 -1.97 115.29 116.16 3i21 s HIS 189 Ca 0.00 -1.91 -0.08 0.00 -0.00 0.00 0.00 55.06 53.08 3i21 s HIS 189 Cb 0.00 -4.06 -0.05 0.00 -0.00 0.00 0.00 32.58 28.47 3i21 s HIS 189 CO 0.00 -1.22 0.77 0.99 -0.00 0.00 0.00 174.74 175.28 3i21 s THR 190 N 1.06 4.85 0.54 1.30 2.01 0.61 -4.96 115.64 121.05 3i21 s THR 190 Ca 0.29 0.40 0.35 0.00 0.31 0.00 0.00 61.69 63.03 3i21 s THR 190 Cb -0.07 -3.80 0.53 0.00 0.01 0.00 0.00 72.50 69.17 3i21 s THR 190 CO -0.08 -0.69 1.82 0.74 -0.69 0.00 0.00 174.62 175.73 3i21 h THR 191 N 0.65 0.45 -0.01 -0.82 2.02 -1.95 -0.82 112.91 112.42 3i21 h THR 191 Ca -0.47 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3i21 h THR 191 Cb 1.20 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3i21 h THR 191 CO 0.63 0.00 -0.19 -1.22 0.37 0.00 0.00 175.52 175.11 3i21 n TYR 192 N -4.22 0.00 -1.41 3.16 4.02 -1.26 -5.07 117.16 112.38 3i21 n TYR 192 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 3i21 n TYR 192 Cb 1.16 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.48 3i21 n TYR 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i21 n GLY 193 N 0.93 -0.51 3.68 2.72 0.00 -0.31 -4.96 105.19 106.73 3i21 n GLY 193 Ca 0.06 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 3i21 n GLY 193 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i21 s VAL 194 N -2.20 5.11 -0.63 1.61 -7.23 -1.26 -0.28 120.40 115.52 3i21 s VAL 194 Ca 0.00 1.01 -0.08 0.00 -1.81 0.00 0.00 61.98 61.10 3i21 s VAL 194 Cb 0.00 -3.86 0.16 0.00 0.56 0.00 0.00 36.38 33.25 3i21 s VAL 194 CO 0.00 0.21 0.50 -0.63 -0.31 0.00 0.00 175.10 174.86 3i21 s ILE 195 N 1.39 4.35 0.65 -0.62 1.01 -0.83 -4.73 121.20 122.41 3i21 s ILE 195 Ca 0.26 -2.49 -0.18 0.00 0.00 0.00 0.00 60.65 58.24 3i21 s ILE 195 Cb -0.15 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 3i21 s ILE 195 CO 0.10 -0.89 1.18 0.61 0.00 0.00 0.00 174.94 175.95 3i21 n GLY 196 N 4.03 0.22 3.08 6.18 0.00 0.51 -4.09 105.19 115.12 3i21 n GLY 196 Ca 0.05 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 3i21 n GLY 196 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i21 s VAL 197 N -1.49 -0.01 0.17 1.61 1.01 -0.31 -0.07 120.40 121.31 3i21 s VAL 197 Ca 0.80 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.91 3i21 s VAL 197 Cb -0.38 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3i21 s VAL 197 CO 0.43 0.01 -0.23 -0.54 0.00 0.00 0.00 175.10 174.77 3i21 s LYS 198 N 0.29 1.40 -0.09 2.72 1.02 -1.02 -1.59 119.74 122.47 3i21 s LYS 198 Ca -0.01 -1.44 -0.04 0.00 0.02 0.00 0.00 55.97 54.50 3i21 s LYS 198 Cb -0.03 -1.67 0.05 0.00 -0.52 0.00 0.00 37.83 35.66 3i21 s LYS 198 CO -0.01 0.36 0.19 0.14 -0.92 0.00 0.00 175.35 175.11 3i21 s VAL 199 N -1.65 -0.25 -0.14 3.17 -7.23 -1.25 -0.97 120.40 112.08 3i21 s VAL 199 Ca 0.17 0.30 -0.01 0.00 -1.81 0.00 0.00 61.98 60.63 3i21 s VAL 199 Cb -0.08 -0.32 -0.02 0.00 0.56 0.00 0.00 36.38 36.52 3i21 s VAL 199 CO 0.08 0.13 -0.10 0.26 -0.31 0.00 0.00 175.10 175.16 3i21 s TRP 200 N 2.11 2.88 -0.04 2.82 0.51 0.36 -3.86 118.94 123.73 3i21 s TRP 200 Ca 0.00 -0.53 0.01 0.00 -2.12 0.00 0.00 56.10 53.46 3i21 s TRP 200 Cb -0.12 -1.89 0.02 0.00 -0.81 0.00 0.00 33.47 30.67 3i21 s TRP 200 CO -0.07 -0.16 -0.06 0.42 -0.51 0.00 0.00 176.95 176.58 3i21 s ILE 201 N 0.37 0.59 -0.20 2.03 1.01 -1.20 -1.81 121.20 122.00 3i21 s ILE 201 Ca -0.08 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.38 3i21 s ILE 201 Cb -0.15 -0.58 0.03 0.00 0.01 0.00 0.00 42.46 41.76 3i21 s ILE 201 CO 0.05 0.22 -0.18 0.12 0.00 0.00 0.00 174.94 175.15 3i21 s PHE 202 N 0.65 2.88 0.00 3.97 5.36 -0.98 -2.88 117.98 126.98 3i21 s PHE 202 Ca -0.09 -1.75 0.00 0.00 -0.96 0.00 0.00 56.93 54.13 3i21 s PHE 202 Cb -0.12 -1.93 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 3i21 s PHE 202 CO 0.00 -0.81 0.00 1.63 -1.46 0.00 0.00 175.22 174.58 3i21 n LYS 203 N 4.59 0.00 -2.29 10.12 5.02 -1.22 -0.36 118.16 134.02 3i21 n LYS 203 Ca -0.20 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.83 3i21 n LYS 203 Cb 0.49 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.62 3i21 n LYS 203 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3i21 s GLY 204 N 0.00 1.76 -0.10 0.72 0.00 -1.26 -4.13 107.32 104.30 3i21 s GLY 204 Ca 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 44.72 43.27 3i21 s GLY 204 CO 0.00 -0.79 -0.12 -2.09 0.00 0.00 0.00 173.10 170.10 3i21 h GLU 205 N -0.91 0.00 -0.00 2.90 4.22 -1.90 -3.41 114.58 115.48 3i21 h GLU 205 Ca -0.41 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.03 3i21 h GLU 205 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3i21 h GLU 205 CO 0.43 0.00 0.00 1.51 -2.18 0.00 0.00 179.01 178.77