#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u28 s VAL 31 N 0.00 5.02 0.08 -3.33 -7.23 -1.26 -5.04 120.40 108.64 1u28 s VAL 31 Ca 0.00 -0.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.95 1u28 s VAL 31 Cb 0.00 -3.77 -0.07 0.00 0.56 0.00 0.00 36.38 33.11 1u28 s VAL 31 CO 0.00 -0.29 0.68 -0.75 -0.31 0.00 0.00 175.10 174.42 1u28 s LYS 32 N -4.02 4.39 0.00 4.82 2.20 -1.26 -5.07 119.74 120.80 1u28 s LYS 32 Ca 0.36 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.90 1u28 s LYS 32 Cb -0.09 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1u28 s LYS 32 CO 0.29 0.51 0.00 0.00 -0.36 0.00 0.00 175.35 175.79 1u28 n ALA 33 N 2.05 0.00 0.00 3.13 0.00 -1.26 -4.42 120.51 120.01 1u28 n ALA 33 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1u28 n ALA 33 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1u28 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u28 n GLY 34 N 5.00 4.34 3.46 0.00 0.00 -1.24 -2.81 105.19 113.95 1u28 n GLY 34 Ca 0.00 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 1u28 n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u28 s SER 35 N 0.00 2.43 0.29 1.61 1.04 -1.25 -3.23 113.70 114.60 1u28 s SER 35 Ca 0.00 -1.60 0.04 0.00 0.48 0.00 0.00 55.95 54.87 1u28 s SER 35 Cb 0.00 0.38 0.73 0.00 0.10 0.00 0.00 66.02 67.23 1u28 s SER 35 CO 0.00 -0.87 1.69 0.00 0.98 0.00 0.00 173.24 175.05 1u28 h ALA 36 N 1.94 1.44 -2.64 5.32 0.00 -1.92 -3.44 119.26 119.96 1u28 h ALA 36 Ca -0.36 0.16 -0.53 0.00 0.00 0.00 0.00 54.91 54.18 1u28 h ALA 36 Cb 1.26 0.15 0.07 0.00 0.00 0.00 0.00 17.79 19.27 1u28 h ALA 36 CO 0.58 -0.35 0.95 0.39 0.00 0.00 0.00 179.25 180.82 1u28 n GLU 37 N -5.05 2.68 -0.84 0.00 4.71 -1.26 -3.33 120.64 117.54 1u28 n GLU 37 Ca 0.22 0.96 0.00 0.00 -0.01 0.00 0.00 57.16 58.33 1u28 n GLU 37 Cb 0.66 -2.78 0.00 0.00 -1.01 0.00 0.00 31.44 28.31 1u28 n GLU 37 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1u28 n ASP 38 N 3.40 -0.32 0.16 1.62 5.75 -1.26 -4.85 116.55 121.05 1u28 n ASP 38 Ca 0.14 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 55.05 1u28 n ASP 38 Cb 0.35 -0.05 0.39 0.00 -1.03 0.00 0.00 41.12 40.77 1u28 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u28 h ALA 39 N 0.00 1.00 -0.19 2.12 0.00 -1.83 -3.30 119.26 117.06 1u28 h ALA 39 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1u28 h ALA 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u28 h ALA 39 CO 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 179.25 178.69 1u28 h ALA 40 N 2.26 0.32 0.02 0.00 0.00 -1.87 -3.18 119.26 116.82 1u28 h ALA 40 Ca 0.00 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 1u28 h ALA 40 Cb 0.72 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1u28 h ALA 40 CO 0.00 0.55 -0.99 0.27 0.00 0.00 0.00 179.25 179.07 1u28 h PHE 41 N 0.43 0.10 -0.69 0.00 -5.15 -1.89 -2.03 116.94 107.71 1u28 h PHE 41 Ca -0.02 -0.07 0.12 0.00 -0.20 0.00 0.00 57.97 57.80 1u28 h PHE 41 Cb 1.18 -0.01 -0.09 0.00 0.22 0.00 0.00 35.95 37.26 1u28 h PHE 41 CO 0.09 1.01 0.26 0.82 -2.00 0.00 0.00 178.31 178.49 1u28 h ILE 42 N 0.02 0.70 0.06 0.88 2.04 -1.63 1.02 117.51 120.59 1u28 h ILE 42 Ca -0.03 -0.14 -0.25 0.00 1.00 0.00 0.00 64.86 65.43 1u28 h ILE 42 Cb 1.72 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1u28 h ILE 42 CO 0.14 0.08 -1.08 0.24 0.00 0.00 0.00 178.15 177.52 1u28 h MET 43 N 0.42 0.43 -0.25 2.37 2.86 -1.60 -2.55 114.93 116.61 1u28 h MET 43 Ca 0.37 -0.53 -0.06 0.00 -2.06 0.00 0.00 59.70 57.41 1u28 h MET 43 Cb 0.52 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1u28 h MET 43 CO -0.37 1.19 -0.09 -0.22 1.06 0.00 0.00 176.91 178.48 1u28 h LYS 44 N 0.21 0.40 0.00 1.72 3.64 -0.53 -2.96 116.57 119.05 1u28 h LYS 44 Ca -0.12 -0.10 -0.20 0.00 -1.27 0.00 0.00 60.65 58.97 1u28 h LYS 44 Cb 1.75 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.48 1u28 h LYS 44 CO 0.19 0.51 -1.06 -0.91 -2.27 0.00 0.00 179.45 175.91 1u28 h ASN 45 N 0.38 0.00 -4.28 4.20 -0.26 0.98 -3.47 115.58 113.13 1u28 h ASN 45 Ca 0.08 0.00 -0.51 0.00 -0.56 0.00 0.00 56.30 55.30 1u28 h ASN 45 Cb 0.40 0.00 0.13 0.00 -1.06 0.00 0.00 38.32 37.79 1u28 h ASN 45 CO 0.02 0.84 0.33 0.00 -1.06 0.00 0.00 177.43 177.56 1u28 s ALA 46 N -2.77 2.23 -0.02 -0.83 0.00 -0.96 -4.98 121.76 114.44 1u28 s ALA 46 Ca 0.00 0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.43 1u28 s ALA 46 Cb 0.09 -3.31 -0.24 0.00 0.00 0.00 0.00 23.12 19.67 1u28 s ALA 46 CO 0.80 -1.74 0.76 0.77 0.00 0.00 0.00 175.76 176.35 1u28 h SER 47 N -0.89 0.08 -3.58 0.00 0.02 -1.91 -3.45 113.55 103.82 1u28 h SER 47 Ca -0.44 -0.15 -0.22 0.00 -0.84 0.00 0.00 61.79 60.13 1u28 h SER 47 Cb 1.24 -0.03 -0.29 0.00 0.14 0.00 0.00 62.40 63.46 1u28 h SER 47 CO 0.51 1.13 -0.58 -0.54 -1.14 0.00 0.00 176.83 176.21 1u28 s LYS 48 N -2.61 0.12 -0.03 3.45 1.02 -1.26 -1.89 119.74 118.53 1u28 s LYS 48 Ca -0.06 0.29 0.02 0.00 0.02 0.00 0.00 55.97 56.24 1u28 s LYS 48 Cb 0.08 -0.07 0.01 0.00 -0.52 0.00 0.00 37.83 37.34 1u28 s LYS 48 CO 0.82 -0.10 -0.06 0.08 -0.92 0.00 0.00 175.35 175.17 1u28 s VAL 49 N 0.69 0.63 -0.23 3.17 1.01 -0.84 -2.35 120.40 122.49 1u28 s VAL 49 Ca -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1u28 s VAL 49 Cb -0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 1u28 s VAL 49 CO -0.03 0.23 -0.02 -0.63 0.00 0.00 0.00 175.10 174.64 1u28 s ILE 50 N 0.55 3.52 0.00 2.22 1.01 -0.55 -1.96 121.20 125.99 1u28 s ILE 50 Ca -0.08 -0.46 -0.23 0.00 0.00 0.00 0.00 60.65 59.87 1u28 s ILE 50 Cb -0.11 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 1u28 s ILE 50 CO 0.01 0.39 0.71 -0.63 0.00 0.00 0.00 174.94 175.41 1u28 s ILE 51 N 1.50 4.87 -0.45 2.92 1.01 0.25 -0.32 121.20 130.97 1u28 s ILE 51 Ca 0.06 1.48 0.03 0.00 0.00 0.00 0.00 60.65 62.21 1u28 s ILE 51 Cb -0.15 -4.05 0.13 0.00 0.01 0.00 0.00 42.46 38.41 1u28 s ILE 51 CO -0.02 0.34 0.23 -0.69 0.00 0.00 0.00 174.94 174.80 1u28 s VAL 52 N 0.16 1.75 0.42 2.92 1.01 0.14 -0.26 120.40 126.53 1u28 s VAL 52 Ca 0.36 -2.69 -0.14 0.00 0.00 0.00 0.00 61.98 59.52 1u28 s VAL 52 Cb -0.19 -2.23 -0.08 0.00 0.00 0.00 0.00 36.38 33.88 1u28 s VAL 52 CO 0.20 -0.84 0.83 -2.16 0.00 0.00 0.00 175.10 173.13 1u28 s PRO 53 N 0.28 3.90 0.00 2.72 0.04 -1.26 -1.03 135.00 139.64 1u28 s PRO 53 Ca 0.17 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1u28 s PRO 53 Cb -0.24 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1u28 s PRO 53 CO -0.02 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1u28 n GLY 54 N -1.14 3.71 0.23 0.56 0.00 -0.71 -4.71 105.19 103.13 1u28 n GLY 54 Ca 0.04 -1.50 0.01 0.00 0.00 0.00 0.00 46.02 44.57 1u28 n GLY 54 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1u28 h TYR 55 N 0.90 -0.01 -0.81 1.61 3.20 -1.75 -1.98 116.97 118.14 1u28 h TYR 55 Ca 0.00 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.07 1u28 h TYR 55 Cb 0.00 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.31 1u28 h TYR 55 CO 0.00 -0.14 0.53 0.78 -1.64 0.00 0.00 178.16 177.69 1u28 h GLY 56 N 0.13 0.81 1.09 1.82 0.00 -1.44 0.35 103.07 105.83 1u28 h GLY 56 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1u28 h GLY 56 CO -0.50 0.05 0.58 1.98 0.00 0.00 0.00 176.54 178.65 1u28 h MET 57 N 0.45 1.21 -0.23 4.80 1.85 -1.48 -2.36 114.93 119.17 1u28 h MET 57 Ca 0.40 -0.09 -0.13 0.00 -0.61 0.00 0.00 59.70 59.28 1u28 h MET 57 Cb 0.90 -0.26 -0.00 0.00 0.43 0.00 0.00 31.60 32.66 1u28 h MET 57 CO -0.14 0.82 -0.35 0.00 -0.40 0.00 0.00 176.91 176.84 1u28 h ALA 58 N 1.40 0.35 -0.20 0.39 0.00 -0.35 -2.09 119.26 118.75 1u28 h ALA 58 Ca 0.33 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1u28 h ALA 58 Cb -0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1u28 h ALA 58 CO -0.07 0.41 -0.03 0.28 0.00 0.00 0.00 179.25 179.85 1u28 h VAL 59 N 0.34 0.83 0.00 0.00 2.07 -1.01 -2.39 116.25 116.08 1u28 h VAL 59 Ca 0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1u28 h VAL 59 Cb 0.94 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1u28 h VAL 59 CO 0.08 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1u28 n ALA 60 N -2.36 2.12 -3.76 1.67 0.00 -0.90 -4.93 120.51 112.35 1u28 n ALA 60 Ca -0.02 -0.07 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 1u28 n ALA 60 Cb 0.12 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.18 1u28 n ALA 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1u28 n GLN 61 N -1.62 -2.69 -0.54 0.00 1.13 -0.88 -4.58 117.38 108.21 1u28 n GLN 61 Ca 0.06 0.48 0.04 0.00 -1.94 0.00 0.00 57.00 55.64 1u28 n GLN 61 Cb 0.30 -4.52 0.24 0.00 0.11 0.00 0.00 30.24 26.38 1u28 n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u28 n ALA 62 N -4.25 3.33 -0.00 -1.58 0.00 -0.84 -4.56 120.51 112.61 1u28 n ALA 62 Ca -0.21 -1.15 -0.06 0.00 0.00 0.00 0.00 53.44 52.03 1u28 n ALA 62 Cb 0.64 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.89 1u28 n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1u28 h GLN 63 N 2.41 0.00 -0.17 0.00 7.50 -1.91 -2.33 115.11 120.61 1u28 h GLN 63 Ca 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 58.65 58.98 1u28 h GLN 63 Cb 1.39 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.91 1u28 h GLN 63 CO 0.29 0.43 -0.60 0.45 -1.50 0.00 0.00 178.83 177.91 1u28 h HIS 64 N 0.00 0.73 -0.17 2.96 3.86 -1.89 -2.22 115.15 118.41 1u28 h HIS 64 Ca -0.24 -0.28 -0.13 0.00 -1.16 0.00 0.00 60.37 58.56 1u28 h HIS 64 Cb 1.87 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 30.20 1u28 h HIS 64 CO 0.00 1.03 -0.46 0.00 0.86 0.00 0.00 177.93 179.36 1u28 h ALA 65 N 0.91 0.88 -0.10 2.45 0.00 -1.89 -2.90 119.26 118.61 1u28 h ALA 65 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1u28 h ALA 65 Cb 1.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1u28 h ALA 65 CO 0.11 0.65 0.02 1.25 0.00 0.00 0.00 179.25 181.29 1u28 h LEU 66 N 0.35 0.15 -1.09 0.00 5.85 -1.31 -1.85 115.31 117.42 1u28 h LEU 66 Ca 0.02 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1u28 h LEU 66 Cb 0.95 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1u28 h LEU 66 CO 0.08 0.34 0.24 -0.09 -0.34 0.00 0.00 178.44 178.67 1u28 h ARG 67 N -0.05 0.89 -0.01 1.25 1.12 -1.42 -2.20 114.38 113.96 1u28 h ARG 67 Ca 0.03 -0.14 -0.13 0.00 -1.11 0.00 0.00 59.98 58.63 1u28 h ARG 67 Cb 0.25 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.04 1u28 h ARG 67 CO 0.00 0.73 -0.58 1.05 -3.11 0.00 0.00 179.97 178.05 1u28 h GLU 68 N 0.87 0.05 0.00 0.20 4.11 -1.46 -2.41 114.58 115.94 1u28 h GLU 68 Ca 0.21 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.58 1u28 h GLU 68 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1u28 h GLU 68 CO -0.02 0.62 -0.12 1.98 0.07 0.00 0.00 179.01 181.54 1u28 h MET 69 N 0.04 0.00 0.18 1.06 4.05 -0.83 -3.18 114.93 116.25 1u28 h MET 69 Ca -0.01 0.00 -0.35 0.00 -0.28 0.00 0.00 59.70 59.06 1u28 h MET 69 Cb 1.04 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.85 1u28 h MET 69 CO 0.08 0.12 -1.75 0.00 0.23 0.00 0.00 176.91 175.59 1u28 h ALA 70 N 1.88 0.17 0.00 0.39 0.00 -0.92 -3.35 119.26 117.43 1u28 h ALA 70 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1u28 h ALA 70 Cb 0.44 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1u28 h ALA 70 CO 0.02 1.04 -0.92 -0.40 0.00 0.00 0.00 179.25 178.99 1u28 n ASP 71 N -3.58 0.63 0.09 0.00 5.68 -1.05 -2.40 116.55 115.93 1u28 n ASP 71 Ca -0.24 -0.12 0.02 0.00 -0.50 0.00 0.00 54.79 53.94 1u28 n ASP 71 Cb 1.07 0.63 0.37 0.00 -1.14 0.00 0.00 41.12 42.05 1u28 n ASP 71 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1u28 h VAL 72 N 0.00 1.18 -0.23 2.12 -1.51 -1.75 -1.26 116.25 114.81 1u28 h VAL 72 Ca 0.00 -0.76 -0.10 0.00 -1.23 0.00 0.00 66.70 64.61 1u28 h VAL 72 Cb 0.73 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1u28 h VAL 72 CO 0.00 0.24 -0.24 -0.07 -1.23 0.00 0.00 177.57 176.27 1u28 h LEU 73 N 0.29 0.61 -1.32 4.19 4.07 -1.61 -2.56 115.31 118.99 1u28 h LEU 73 Ca 0.06 -0.48 -0.07 0.00 0.08 0.00 0.00 57.88 57.47 1u28 h LEU 73 Cb 0.35 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1u28 h LEU 73 CO 0.02 0.97 -0.34 0.11 -1.08 0.00 0.00 178.44 178.11 1u28 h LYS 74 N 0.27 0.00 0.00 1.13 1.57 -1.41 -0.95 116.57 117.18 1u28 h LYS 74 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1u28 h LYS 74 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1u28 h LYS 74 CO 0.06 0.34 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.03 1u28 h LYS 75 N 0.00 0.00 0.00 3.15 3.64 -1.17 -2.32 116.57 119.88 1u28 h LYS 75 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u28 h LYS 75 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1u28 h LYS 75 CO 0.04 0.03 -0.64 0.39 -2.27 0.00 0.00 179.45 177.00 1u28 n GLU 76 N -3.14 0.28 0.00 1.90 -0.58 -0.46 -4.97 120.64 113.66 1u28 n GLU 76 Ca 0.00 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1u28 n GLU 76 Cb 0.31 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1u28 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1u28 n GLY 77 N 1.35 0.31 3.77 0.62 0.00 -0.76 -5.09 105.19 105.39 1u28 n GLY 77 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1u28 n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u28 s VAL 78 N -2.00 2.99 -0.29 1.61 1.01 -0.61 -4.95 120.40 118.15 1u28 s VAL 78 Ca 0.00 0.78 -0.16 0.00 0.00 0.00 0.00 61.98 62.60 1u28 s VAL 78 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1u28 s VAL 78 CO 0.00 0.03 0.44 -1.61 0.00 0.00 0.00 175.10 173.96 1u28 s GLU 79 N -2.56 3.89 0.03 2.72 2.02 -0.79 -3.88 118.70 120.12 1u28 s GLU 79 Ca 0.62 0.02 0.03 0.00 0.02 0.00 0.00 54.97 55.66 1u28 s GLU 79 Cb -0.31 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 1u28 s GLU 79 CO 0.38 -0.41 -0.04 0.08 0.02 0.00 0.00 175.26 175.29 1u28 s VAL 80 N 2.21 3.83 0.05 2.63 1.01 -1.26 -1.98 120.40 126.89 1u28 s VAL 80 Ca 0.17 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1u28 s VAL 80 Cb -0.16 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1u28 s VAL 80 CO 0.11 0.32 0.21 -0.44 0.00 0.00 0.00 175.10 175.30 1u28 s SER 81 N -1.67 0.02 -0.11 3.32 0.01 -0.83 -4.93 113.70 109.51 1u28 s SER 81 Ca 0.20 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.09 1u28 s SER 81 Cb -0.11 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1u28 s SER 81 CO 0.11 -0.61 -0.23 -0.31 0.41 0.00 0.00 173.24 172.60 1u28 s TYR 82 N -2.89 2.60 -0.28 2.43 1.51 -0.24 0.84 117.35 121.33 1u28 s TYR 82 Ca -0.03 -1.15 -0.08 0.00 -1.01 0.00 0.00 57.07 54.80 1u28 s TYR 82 Cb 0.00 -1.75 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1u28 s TYR 82 CO -0.06 -0.49 0.09 0.00 -1.11 0.00 0.00 175.55 173.99 1u28 s ALA 83 N 0.51 3.17 -0.32 3.71 0.00 0.64 -0.98 121.76 128.48 1u28 s ALA 83 Ca -0.15 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 50.46 1u28 s ALA 83 Cb -0.17 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 20.79 1u28 s ALA 83 CO 0.05 -0.71 0.11 0.42 0.00 0.00 0.00 175.76 175.64 1u28 s ILE 84 N 1.59 4.11 0.34 0.00 -1.09 0.14 -4.23 121.20 122.05 1u28 s ILE 84 Ca 0.05 -0.77 -0.27 0.00 -2.23 0.00 0.00 60.65 57.43 1u28 s ILE 84 Cb -0.16 -3.18 -0.09 0.00 -1.58 0.00 0.00 42.46 37.44 1u28 s ILE 84 CO 0.04 -0.02 1.14 -2.28 -1.23 0.00 0.00 174.94 172.59 1u28 s HIS 85 N 1.50 3.30 0.58 3.97 2.46 -1.26 -2.77 115.29 123.08 1u28 s HIS 85 Ca 0.02 1.61 0.30 0.00 0.47 0.00 0.00 55.06 57.45 1u28 s HIS 85 Cb -0.18 -3.35 1.41 0.00 -0.13 0.00 0.00 32.58 30.34 1u28 s HIS 85 CO 0.04 -0.98 1.80 -1.35 -2.47 0.00 0.00 174.74 171.78 1u28 h PRO 86 N 3.17 0.00 -0.34 2.88 0.11 -1.98 -2.70 132.00 133.15 1u28 h PRO 86 Ca -0.48 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.37 1u28 h PRO 86 Cb 1.22 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.04 1u28 h PRO 86 CO 0.65 0.00 -0.83 1.33 -0.21 0.00 0.00 178.00 178.93 1u28 n VAL 87 N -3.74 1.71 -2.28 3.15 0.24 -1.26 -4.75 118.33 111.40 1u28 n VAL 87 Ca 0.13 -3.09 -0.37 0.00 -2.04 0.00 0.00 64.34 58.98 1u28 n VAL 87 Cb 0.88 0.02 -0.01 0.00 -1.47 0.00 0.00 33.84 33.26 1u28 n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u28 s ALA 88 N -2.89 2.93 0.00 2.33 0.00 -1.02 -4.79 121.76 118.32 1u28 s ALA 88 Ca 0.39 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1u28 s ALA 88 Cb 0.38 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1u28 s ALA 88 CO -0.05 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.48 1u28 n GLY 89 N 0.37 0.09 0.00 0.00 0.00 -1.26 -4.44 105.19 99.95 1u28 n GLY 89 Ca 0.08 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1u28 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u28 n ARG 90 N 3.37 0.67 -3.79 1.61 5.12 -1.26 -4.73 116.66 117.65 1u28 n ARG 90 Ca 0.00 -0.73 -0.10 0.00 -1.93 0.00 0.00 57.85 55.09 1u28 n ARG 90 Cb 0.00 -0.81 -0.07 0.00 -1.16 0.00 0.00 32.46 30.42 1u28 n ARG 90 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u28 s MET 91 N -0.32 0.87 0.15 5.56 0.23 -1.26 -5.09 119.30 119.44 1u28 s MET 91 Ca 0.00 -0.78 -0.32 0.00 -1.03 0.00 0.00 55.69 53.56 1u28 s MET 91 Cb 0.00 0.37 -0.12 0.00 -1.53 0.00 0.00 34.83 33.55 1u28 s MET 91 CO 0.00 -0.29 1.74 -2.30 -2.03 0.00 0.00 175.02 172.14 1u28 n PRO 92 N 0.11 2.61 -1.08 3.16 -0.02 -1.26 -2.03 135.00 136.49 1u28 n PRO 92 Ca -0.16 0.94 -0.03 0.00 -2.02 0.00 0.00 63.50 62.23 1u28 n PRO 92 Cb 0.62 -2.79 -0.01 0.00 -0.02 0.00 0.00 33.50 31.30 1u28 n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u28 n GLY 93 N 3.95 0.61 0.17 -1.23 0.00 -1.26 -4.95 105.19 102.47 1u28 n GLY 93 Ca 0.17 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 1u28 n GLY 93 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1u28 h HIS 94 N 0.00 0.40 -0.22 1.61 2.76 -1.64 -2.34 115.15 115.71 1u28 h HIS 94 Ca -0.06 0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 57.97 1u28 h HIS 94 Cb 0.23 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1u28 h HIS 94 CO 0.11 0.22 -0.50 0.52 -1.30 0.00 0.00 177.93 176.98 1u28 h MET 95 N 0.43 0.62 -0.43 5.26 2.86 -1.85 -3.27 114.93 118.55 1u28 h MET 95 Ca 0.16 -0.36 0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1u28 h MET 95 Cb 0.04 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 1u28 h MET 95 CO -0.09 0.97 0.20 -0.91 1.06 0.00 0.00 176.91 178.15 1u28 h ASN 96 N 0.48 0.29 -0.57 1.22 4.21 -1.84 -0.20 115.58 119.17 1u28 h ASN 96 Ca 0.02 0.03 -0.08 0.00 1.21 0.00 0.00 56.30 57.48 1u28 h ASN 96 Cb 1.04 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 38.19 1u28 h ASN 96 CO 0.10 0.21 0.07 1.62 -1.29 0.00 0.00 177.43 178.14 1u28 h VAL 97 N 0.41 1.25 -0.10 2.81 3.04 -1.50 0.90 116.25 123.07 1u28 h VAL 97 Ca 0.19 -1.02 -0.17 0.00 -1.01 0.00 0.00 66.70 64.69 1u28 h VAL 97 Cb 0.11 0.71 0.01 0.00 -2.01 0.00 0.00 31.29 30.11 1u28 h VAL 97 CO -0.14 0.37 -0.61 -0.07 -1.01 0.00 0.00 177.57 176.11 1u28 h LEU 98 N 0.93 0.71 -0.71 3.16 3.38 -1.56 -1.53 115.31 119.69 1u28 h LEU 98 Ca 0.18 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 1u28 h LEU 98 Cb 0.44 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1u28 h LEU 98 CO 0.01 1.25 0.35 -0.07 0.09 0.00 0.00 178.44 180.08 1u28 h LEU 99 N 0.21 0.92 -1.43 1.67 3.38 -0.98 -2.33 115.31 116.75 1u28 h LEU 99 Ca -0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1u28 h LEU 99 Cb 1.26 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1u28 h LEU 99 CO 0.13 0.78 0.25 0.00 0.09 0.00 0.00 178.44 179.69 1u28 h ALA 100 N 1.17 1.56 -0.22 1.53 0.00 -0.75 -1.60 119.26 120.96 1u28 h ALA 100 Ca 0.25 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1u28 h ALA 100 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1u28 h ALA 100 CO -0.03 0.36 -0.38 1.49 0.00 0.00 0.00 179.25 180.69 1u28 h GLU 101 N 0.65 0.50 -0.10 0.00 4.81 -0.87 -1.95 114.58 117.61 1u28 h GLU 101 Ca 0.17 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1u28 h GLU 101 Cb 0.03 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1u28 h GLU 101 CO -0.03 0.81 0.00 0.00 -0.73 0.00 0.00 179.01 179.06 1u28 n ALA 102 N -2.50 2.52 -3.54 2.92 0.00 -0.91 -4.93 120.51 114.07 1u28 n ALA 102 Ca -0.01 -0.24 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 1u28 n ALA 102 Cb 0.50 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 18.94 1u28 n ALA 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u28 n ASN 103 N -0.23 -5.89 -4.72 0.00 3.02 -0.73 -4.85 115.26 101.85 1u28 n ASN 103 Ca 0.09 -0.52 -0.41 0.00 -0.03 0.00 0.00 54.58 53.70 1u28 n ASN 103 Cb 0.13 -4.86 -0.04 0.00 -0.61 0.00 0.00 39.78 34.40 1u28 n ASN 103 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1u28 s VAL 104 N -3.31 4.31 0.48 2.41 -7.23 -0.64 -5.00 120.40 111.43 1u28 s VAL 104 Ca 0.52 1.82 -0.23 0.00 -1.81 0.00 0.00 61.98 62.27 1u28 s VAL 104 Cb -0.23 -4.16 -0.07 0.00 0.56 0.00 0.00 36.38 32.48 1u28 s VAL 104 CO 0.70 0.23 1.31 -2.84 -0.31 0.00 0.00 175.10 174.18 1u28 s PRO 105 N 0.35 3.53 0.37 4.82 0.02 -1.26 -4.71 135.00 138.12 1u28 s PRO 105 Ca 0.51 2.12 0.05 0.00 0.02 0.00 0.00 61.00 63.71 1u28 s PRO 105 Cb -0.26 -2.44 0.71 0.00 0.02 0.00 0.00 34.50 32.53 1u28 s PRO 105 CO 0.31 -0.84 1.96 1.88 -0.33 0.00 0.00 177.00 179.97 1u28 h TYR 106 N 1.96 0.55 0.00 6.54 0.05 -1.95 -2.86 116.97 121.25 1u28 h TYR 106 Ca -0.50 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.26 1u28 h TYR 106 Cb 1.27 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.84 1u28 h TYR 106 CO 0.50 0.45 0.00 -0.40 -1.05 0.00 0.00 178.16 177.65 1u28 n ASP 107 N -4.37 0.00 -0.68 3.88 5.68 -1.26 -1.54 116.55 118.26 1u28 n ASP 107 Ca 0.02 0.20 0.09 0.00 -0.50 0.00 0.00 54.79 54.61 1u28 n ASP 107 Cb 0.15 -0.32 0.07 0.00 -1.14 0.00 0.00 41.12 39.88 1u28 n ASP 107 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1u28 n GLU 108 N -1.32 1.44 -4.10 0.11 1.02 -1.08 -4.96 120.64 111.74 1u28 n GLU 108 Ca 0.04 -1.49 -0.35 0.00 -0.02 0.00 0.00 57.16 55.34 1u28 n GLU 108 Cb 0.09 -1.33 -0.12 0.00 -0.02 0.00 0.00 31.44 30.05 1u28 n GLU 108 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1u28 s VAL 109 N -1.48 4.06 0.02 2.62 1.01 -0.59 -1.08 120.40 124.96 1u28 s VAL 109 Ca 0.20 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1u28 s VAL 109 Cb 0.14 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 1u28 s VAL 109 CO 0.23 0.44 -0.15 -0.36 0.00 0.00 0.00 175.10 175.26 1u28 s PHE 110 N 0.87 1.33 0.58 5.22 0.08 -0.15 -4.99 117.98 120.92 1u28 s PHE 110 Ca 0.01 -0.30 -0.09 0.00 0.12 0.00 0.00 56.93 56.67 1u28 s PHE 110 Cb -0.14 -0.82 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 1u28 s PHE 110 CO 0.02 0.01 0.94 -1.83 -0.10 0.00 0.00 175.22 174.26 1u28 s GLU 111 N -0.76 3.44 0.36 0.44 -1.05 -1.26 -0.69 118.70 119.17 1u28 s GLU 111 Ca 0.04 0.46 0.13 0.00 -0.15 0.00 0.00 54.97 55.45 1u28 s GLU 111 Cb -0.07 -2.19 0.95 0.00 -0.44 0.00 0.00 34.13 32.37 1u28 s GLU 111 CO 0.00 -0.50 1.78 1.25 0.95 0.00 0.00 175.26 178.74 1u28 h LEU 112 N -0.15 0.59 -0.35 1.83 6.46 -1.90 -1.44 115.31 120.36 1u28 h LEU 112 Ca -0.45 0.09 -0.12 0.00 -0.12 0.00 0.00 57.88 57.27 1u28 h LEU 112 Cb 1.21 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 41.11 1u28 h LEU 112 CO 0.62 0.17 -0.58 -0.33 -0.62 0.00 0.00 178.44 177.70 1u28 h GLU 113 N 0.55 0.00 -0.00 1.25 5.08 -1.93 -2.56 114.58 116.97 1u28 h GLU 113 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1u28 h GLU 113 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1u28 h GLU 113 CO -0.33 0.58 -0.54 -0.85 -1.00 0.00 0.00 179.01 176.87 1u28 n GLU 114 N -3.39 0.22 -0.00 2.33 0.28 -0.57 -4.43 120.64 115.08 1u28 n GLU 114 Ca 0.01 -0.14 0.02 0.00 -0.16 0.00 0.00 57.16 56.88 1u28 n GLU 114 Cb 0.70 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 32.05 1u28 n GLU 114 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1u28 n ILE 115 N -1.26 0.00 -0.14 3.84 0.13 -1.01 -4.80 119.36 116.12 1u28 n ILE 115 Ca 0.07 -0.15 -0.00 0.00 -1.10 0.00 0.00 62.75 61.56 1u28 n ILE 115 Cb 0.34 0.56 0.25 0.00 -0.84 0.00 0.00 39.64 39.96 1u28 n ILE 115 CO 0.00 0.00 0.00 -1.13 2.80 0.00 0.00 176.55 178.22 1u28 h ASN 116 N 0.00 0.75 0.92 9.51 -0.73 -1.67 -1.36 115.58 123.00 1u28 h ASN 116 Ca 0.00 -0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.07 1u28 h ASN 116 Cb 0.13 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.52 1u28 h ASN 116 CO 0.00 0.63 -0.17 0.77 -0.37 0.00 0.00 177.43 178.29 1u28 h SER 117 N 0.84 0.00 1.06 1.15 4.64 -1.87 -3.22 113.55 116.16 1u28 h SER 117 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1u28 h SER 117 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1u28 h SER 117 CO -0.03 0.17 0.00 -1.20 -0.87 0.00 0.00 176.83 174.90 1u28 n SER 118 N -3.34 0.64 -0.05 4.97 7.64 -0.51 -3.19 113.62 119.78 1u28 n SER 118 Ca 0.00 0.60 -0.01 0.00 1.01 0.00 0.00 58.87 60.48 1u28 n SER 118 Cb 0.39 -0.76 0.27 0.00 -1.01 0.00 0.00 64.21 63.10 1u28 n SER 118 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1u28 h PHE 119 N 0.00 0.66 -1.03 1.43 -1.00 -1.66 -2.15 116.94 113.20 1u28 h PHE 119 Ca 0.00 -0.06 0.26 0.00 2.81 0.00 0.00 57.97 60.98 1u28 h PHE 119 Cb 0.53 -0.19 -0.09 0.00 3.61 0.00 0.00 35.95 39.81 1u28 h PHE 119 CO 0.00 0.59 0.67 1.96 -1.61 0.00 0.00 178.31 179.92 1u28 h GLN 120 N 0.62 0.37 -0.56 1.51 4.20 -1.67 -2.54 115.11 117.04 1u28 h GLN 120 Ca 0.14 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1u28 h GLN 120 Cb 0.28 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1u28 h GLN 120 CO 0.00 0.24 0.00 0.25 -0.67 0.00 0.00 178.83 178.66 1u28 n THR 121 N -4.59 0.86 -4.57 -0.54 -2.24 -0.81 -4.82 114.28 97.57 1u28 n THR 121 Ca 0.24 -0.93 -0.34 0.00 -2.27 0.00 0.00 64.05 60.75 1u28 n THR 121 Cb 0.87 0.63 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 1u28 n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u28 s ALA 122 N -1.10 3.04 0.20 6.98 0.00 -0.98 -4.89 121.76 125.00 1u28 s ALA 122 Ca 0.40 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.59 1u28 s ALA 122 Cb 0.22 -1.29 0.14 0.00 0.00 0.00 0.00 23.12 22.19 1u28 s ALA 122 CO 0.29 0.56 1.48 -0.44 0.00 0.00 0.00 175.76 177.65 1u28 h ASP 123 N 5.31 0.00 -3.72 0.00 3.45 -1.78 -0.09 116.42 119.58 1u28 h ASP 123 Ca -0.48 0.00 -0.29 0.00 0.43 0.00 0.00 57.03 56.69 1u28 h ASP 123 Cb 1.18 0.00 -0.30 0.00 -0.56 0.00 0.00 39.33 39.65 1u28 h ASP 123 CO 0.53 0.76 -0.74 -0.69 -1.57 0.00 0.00 179.24 177.53 1u28 s VAL 124 N -3.24 0.18 -0.39 -1.35 1.01 -1.14 -0.66 120.40 114.81 1u28 s VAL 124 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 1u28 s VAL 124 Cb 0.11 -0.19 0.11 0.00 0.00 0.00 0.00 36.38 36.41 1u28 s VAL 124 CO 0.78 0.08 0.15 0.00 0.00 0.00 0.00 175.10 176.11 1u28 s ALA 125 N 0.25 3.07 -0.88 5.51 0.00 0.17 -1.49 121.76 128.40 1u28 s ALA 125 Ca -0.02 -2.56 -0.22 0.00 0.00 0.00 0.00 51.96 49.17 1u28 s ALA 125 Cb -0.05 -2.25 0.09 0.00 0.00 0.00 0.00 23.12 20.91 1u28 s ALA 125 CO -0.01 -1.77 1.19 0.12 0.00 0.00 0.00 175.76 175.30 1u28 s PHE 126 N 1.02 2.78 -0.36 0.00 5.36 0.56 -0.49 117.98 126.85 1u28 s PHE 126 Ca 0.09 -0.93 -0.19 0.00 -0.96 0.00 0.00 56.93 54.95 1u28 s PHE 126 Cb -0.21 -4.43 0.00 0.00 -0.34 0.00 0.00 43.02 38.03 1u28 s PHE 126 CO -0.06 -1.70 0.53 0.08 -1.46 0.00 0.00 175.22 172.61 1u28 s VAL 127 N 3.91 4.99 -0.36 3.12 1.01 0.17 0.25 120.40 133.49 1u28 s VAL 127 Ca 0.34 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.64 1u28 s VAL 127 Cb -0.06 -4.00 0.10 0.00 0.00 0.00 0.00 36.38 32.41 1u28 s VAL 127 CO -0.03 -0.28 0.09 -0.51 0.00 0.00 0.00 175.10 174.38 1u28 s ILE 128 N 2.45 2.61 -0.34 2.22 2.07 -0.20 -0.02 121.20 130.00 1u28 s ILE 128 Ca 0.19 -2.22 0.00 0.00 -1.41 0.00 0.00 60.65 57.21 1u28 s ILE 128 Cb -0.15 -2.86 0.00 0.00 0.13 0.00 0.00 42.46 39.58 1u28 s ILE 128 CO 0.14 -0.60 0.00 0.61 -1.91 0.00 0.00 174.94 173.18 1u28 n GLY 129 N 4.37 0.62 3.80 1.50 0.00 -0.63 -1.73 105.19 113.12 1u28 n GLY 129 Ca 0.01 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 1u28 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u28 s ALA 130 N -2.02 3.55 0.00 4.61 0.00 -1.26 -1.19 121.76 125.46 1u28 s ALA 130 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.50 1u28 s ALA 130 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1u28 s ALA 130 CO 0.00 0.24 0.00 -1.71 0.00 0.00 0.00 175.76 174.29 1u28 n ASN 131 N -1.16 0.00 -0.33 0.00 4.05 -1.26 -4.95 115.26 111.62 1u28 n ASN 131 Ca -0.07 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.03 1u28 n ASN 131 Cb 0.58 0.40 0.27 0.00 1.23 0.00 0.00 39.78 42.27 1u28 n ASN 131 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 1u28 h ASP 132 N 0.00 0.86 -0.01 1.20 3.32 -1.95 -1.36 116.42 118.47 1u28 h ASP 132 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1u28 h ASP 132 Cb 0.00 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1u28 h ASP 132 CO 0.00 0.47 0.05 0.58 -1.72 0.00 0.00 179.24 178.62 1u28 h VAL 133 N 0.93 0.11 -0.01 -1.35 2.07 -1.93 -2.53 116.25 113.55 1u28 h VAL 133 Ca 0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.98 1u28 h VAL 133 Cb 0.48 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1u28 h VAL 133 CO -0.22 0.00 -0.20 0.35 0.02 0.00 0.00 177.57 177.51 1u28 n THR 134 N -3.23 0.00 -2.49 2.57 -2.24 -0.53 -1.67 114.28 106.69 1u28 n THR 134 Ca -0.03 -0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 60.93 1u28 n THR 134 Cb 0.12 1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 1u28 n THR 134 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1u28 s ASN 135 N -1.41 6.78 0.51 3.42 3.84 -0.96 -4.77 114.94 122.36 1u28 s ASN 135 Ca 0.10 1.19 0.34 0.00 0.21 0.00 0.00 52.86 54.70 1u28 s ASN 135 Cb 0.09 -2.54 1.61 0.00 -0.55 0.00 0.00 41.25 39.86 1u28 s ASN 135 CO 0.27 -0.99 2.02 -0.65 -2.79 0.00 0.00 177.10 174.96 1u28 h PRO 136 N 8.80 0.00 0.00 0.43 0.11 -1.93 -2.74 132.00 136.68 1u28 h PRO 136 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1u28 h PRO 136 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1u28 h PRO 136 CO 1.03 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.82 1u28 n ALA 137 N -2.00 1.16 0.12 -0.75 0.00 -1.26 -1.27 120.51 116.52 1u28 n ALA 137 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1u28 n ALA 137 Cb 0.19 -1.04 0.11 0.00 0.00 0.00 0.00 19.45 18.71 1u28 n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u28 h ALA 138 N 2.10 0.80 0.08 0.00 0.00 -1.71 -3.32 119.26 117.21 1u28 h ALA 138 Ca 0.00 -0.61 -0.36 0.00 0.00 0.00 0.00 54.91 53.94 1u28 h ALA 138 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1u28 h ALA 138 CO 0.00 0.84 -2.05 1.63 0.00 0.00 0.00 179.25 179.68 1u28 n LYS 139 N -3.61 0.72 0.00 0.00 5.02 -0.39 -1.74 118.16 118.16 1u28 n LYS 139 Ca -0.01 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1u28 n LYS 139 Cb 0.69 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1u28 n LYS 139 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1u28 n THR 140 N -3.35 0.00 -1.80 -0.18 -2.24 -0.87 -4.89 114.28 100.96 1u28 n THR 140 Ca -0.32 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.39 1u28 n THR 140 Cb 1.04 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 69.28 1u28 n THR 140 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1u28 n ASP 141 N 0.00 -1.04 -0.33 3.42 -0.08 -1.25 -4.82 116.55 112.45 1u28 n ASP 141 Ca 0.00 -0.07 0.08 0.00 -1.51 0.00 0.00 54.79 53.29 1u28 n ASP 141 Cb 0.00 -0.31 0.25 0.00 2.34 0.00 0.00 41.12 43.39 1u28 n ASP 141 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1u28 h PRO 142 N 0.49 0.75 -2.45 -0.67 0.11 -1.90 -3.13 132.00 125.21 1u28 h PRO 142 Ca -0.12 -0.05 -0.70 0.00 0.11 0.00 0.00 66.00 65.25 1u28 h PRO 142 Cb 0.28 -0.17 -0.15 0.00 0.11 0.00 0.00 31.00 31.07 1u28 h PRO 142 CO 0.05 0.50 1.87 -1.13 -0.21 0.00 0.00 178.00 179.08 1u28 n SER 143 N -4.76 7.67 -4.25 -2.05 3.41 -1.26 -4.82 113.62 107.56 1u28 n SER 143 Ca 0.19 -3.22 -0.17 0.00 -0.26 0.00 0.00 58.87 55.41 1u28 n SER 143 Cb 0.43 -1.31 -0.11 0.00 -0.26 0.00 0.00 64.21 62.96 1u28 n SER 143 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1u28 s SER 144 N 0.19 1.98 0.40 4.04 0.15 -1.18 -5.06 113.70 114.20 1u28 s SER 144 Ca 0.54 -0.91 0.28 0.00 0.70 0.00 0.00 55.95 56.56 1u28 s SER 144 Cb 0.23 -0.05 1.01 0.00 -1.71 0.00 0.00 66.02 65.50 1u28 s SER 144 CO -0.13 -0.22 1.81 1.55 1.20 0.00 0.00 173.24 177.46 1u28 h PRO 145 N 3.14 0.00 -0.21 5.44 0.13 -1.91 -3.13 132.00 135.46 1u28 h PRO 145 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1u28 h PRO 145 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1u28 h PRO 145 CO 0.57 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.85 1u28 n ILE 146 N -2.71 0.28 -1.99 -3.56 3.06 -1.26 -5.01 119.36 108.16 1u28 n ILE 146 Ca 0.02 -0.64 -0.42 0.00 -2.50 0.00 0.00 62.75 59.21 1u28 n ILE 146 Cb 0.33 1.19 -0.03 0.00 0.54 0.00 0.00 39.64 41.68 1u28 n ILE 146 CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 1u28 s TYR 147 N -1.60 3.05 0.00 9.51 5.04 -1.18 -3.03 117.35 129.13 1u28 s TYR 147 Ca 0.31 0.87 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 1u28 s TYR 147 Cb 0.20 -3.85 0.00 0.00 0.35 0.00 0.00 41.96 38.66 1u28 s TYR 147 CO 0.29 -2.93 0.00 0.41 -1.34 0.00 0.00 175.55 171.98 1u28 n GLY 148 N 2.87 3.08 3.63 8.97 0.00 -0.71 -5.02 105.19 118.01 1u28 n GLY 148 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1u28 n GLY 148 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1u28 s MET 149 N -0.76 3.96 0.36 1.61 -2.45 -1.17 -5.00 119.30 115.86 1u28 s MET 149 Ca 0.00 1.28 -0.28 0.00 -1.25 0.00 0.00 55.69 55.43 1u28 s MET 149 Cb 0.00 -3.85 -0.11 0.00 1.25 0.00 0.00 34.83 32.11 1u28 s MET 149 CO 0.00 -1.06 1.47 -2.30 1.05 0.00 0.00 175.02 174.18 1u28 n PRO 150 N 7.20 2.59 -4.57 4.11 -0.02 -1.26 -4.75 135.00 138.30 1u28 n PRO 150 Ca 0.14 0.91 -0.27 0.00 -2.02 0.00 0.00 63.50 62.26 1u28 n PRO 150 Cb 0.46 -2.62 -0.11 0.00 -0.02 0.00 0.00 33.50 31.21 1u28 n PRO 150 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1u28 s ILE 151 N -1.01 2.08 0.01 4.25 -4.36 -1.26 -5.00 121.20 115.90 1u28 s ILE 151 Ca 0.54 -2.02 -0.29 0.00 -0.26 0.00 0.00 60.65 58.62 1u28 s ILE 151 Cb -0.49 -2.93 -0.04 0.00 1.25 0.00 0.00 42.46 40.26 1u28 s ILE 151 CO 0.62 -0.04 0.94 -0.76 0.24 0.00 0.00 174.94 175.94 1u28 s LEU 152 N -3.70 4.38 -1.38 0.37 1.43 -0.67 -4.97 118.68 114.15 1u28 s LEU 152 Ca 0.35 1.62 -0.08 0.00 -1.03 0.00 0.00 54.13 54.99 1u28 s LEU 152 Cb 0.08 -3.51 0.09 0.00 0.03 0.00 0.00 46.19 42.88 1u28 s LEU 152 CO 0.18 -0.21 2.32 0.47 0.23 0.00 0.00 176.35 179.34 1u28 n ASP 153 N 3.71 6.84 0.20 2.29 8.00 -1.26 -4.56 116.55 131.76 1u28 n ASP 153 Ca 0.05 -3.00 0.05 0.00 0.71 0.00 0.00 54.79 52.60 1u28 n ASP 153 Cb 0.51 -1.46 0.42 0.00 -0.02 0.00 0.00 41.12 40.57 1u28 n ASP 153 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1u28 h VAL 154 N 3.17 1.00 -0.52 2.53 -1.51 -1.93 -3.04 116.25 115.95 1u28 h VAL 154 Ca 0.63 -1.23 0.10 0.00 -1.23 0.00 0.00 66.70 64.96 1u28 h VAL 154 Cb 0.43 1.71 -0.03 0.00 -2.13 0.00 0.00 31.29 31.27 1u28 h VAL 154 CO 1.62 0.32 0.36 1.05 -1.23 0.00 0.00 177.57 179.69 1u28 h GLU 155 N 0.00 0.27 0.00 5.19 4.11 -1.91 -2.39 114.58 119.85 1u28 h GLU 155 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1u28 h GLU 155 Cb 0.68 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1u28 h GLU 155 CO 0.04 0.18 0.00 1.63 0.07 0.00 0.00 179.01 180.93 1u28 n LYS 156 N -4.46 0.14 -2.43 1.06 5.02 -1.15 -4.69 118.16 111.66 1u28 n LYS 156 Ca 0.08 0.42 -0.36 0.00 -2.02 0.00 0.00 58.31 56.43 1u28 n LYS 156 Cb 0.39 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 1u28 n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u28 s ALA 157 N -3.27 2.94 0.30 7.82 0.00 -0.90 -3.97 121.76 124.68 1u28 s ALA 157 Ca 0.04 0.75 0.05 0.00 0.00 0.00 0.00 51.96 52.80 1u28 s ALA 157 Cb 0.09 -3.31 0.72 0.00 0.00 0.00 0.00 23.12 20.62 1u28 s ALA 157 CO 0.33 -0.43 1.78 0.78 0.00 0.00 0.00 175.76 178.21 1u28 h GLY 158 N 1.95 1.77 -5.11 0.00 0.00 -1.08 -3.42 103.07 97.17 1u28 h GLY 158 Ca -0.49 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 46.30 1u28 h GLY 158 CO 0.60 -0.05 -0.61 -1.59 0.00 0.00 0.00 176.54 174.89 1u28 s THR 159 N -5.87 0.06 -0.12 4.70 2.01 0.16 -4.83 115.64 111.76 1u28 s THR 159 Ca -0.11 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1u28 s THR 159 Cb 0.25 -0.26 0.02 0.00 0.01 0.00 0.00 72.50 72.52 1u28 s THR 159 CO 0.80 -0.27 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.66 1u28 s VAL 160 N -0.85 1.26 -0.24 3.82 1.01 -0.22 0.46 120.40 125.64 1u28 s VAL 160 Ca -0.09 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 1u28 s VAL 160 Cb -0.06 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 1u28 s VAL 160 CO 0.00 0.40 -0.01 -0.76 0.00 0.00 0.00 175.10 174.73 1u28 s LEU 161 N 1.43 3.11 -0.31 3.92 1.02 0.35 -0.93 118.68 127.28 1u28 s LEU 161 Ca 0.01 -0.44 -0.13 0.00 0.02 0.00 0.00 54.13 53.60 1u28 s LEU 161 Cb -0.13 -1.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 1u28 s LEU 161 CO -0.07 -0.05 0.24 -0.36 0.02 0.00 0.00 176.35 176.14 1u28 s PHE 162 N 1.49 3.22 -0.30 0.29 0.40 -1.03 0.43 117.98 122.49 1u28 s PHE 162 Ca 0.05 -0.00 -0.19 0.00 -0.60 0.00 0.00 56.93 56.19 1u28 s PHE 162 Cb -0.15 -2.47 -0.01 0.00 0.51 0.00 0.00 43.02 40.90 1u28 s PHE 162 CO -0.02 -0.28 0.55 0.42 0.70 0.00 0.00 175.22 176.60 1u28 s ILE 163 N 1.80 5.01 0.08 0.64 1.01 0.97 -0.38 121.20 130.33 1u28 s ILE 163 Ca 0.08 0.72 -0.25 0.00 0.00 0.00 0.00 60.65 61.19 1u28 s ILE 163 Cb -0.17 -3.93 0.07 0.00 0.01 0.00 0.00 42.46 38.44 1u28 s ILE 163 CO 0.11 -0.08 0.61 -1.59 0.00 0.00 0.00 174.94 173.98 1u28 s LYS 164 N 2.44 1.17 0.33 2.79 -2.85 -1.05 -1.61 119.74 120.97 1u28 s LYS 164 Ca 0.22 -0.21 0.02 0.00 -1.00 0.00 0.00 55.97 55.00 1u28 s LYS 164 Cb -0.15 0.54 0.58 0.00 -2.06 0.00 0.00 37.83 36.73 1u28 s LYS 164 CO 0.11 -0.45 1.91 0.00 0.10 0.00 0.00 175.35 177.02 1u28 h ARG 165 N 2.45 0.70 0.00 1.78 3.08 -1.83 -2.92 114.38 117.64 1u28 h ARG 165 Ca -0.31 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1u28 h ARG 165 Cb 1.24 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1u28 h ARG 165 CO 0.39 0.59 0.00 -1.13 -1.07 0.00 0.00 179.97 178.75 1u28 n SER 166 N -4.34 0.00 -0.45 7.04 3.41 -1.26 -4.18 113.62 113.84 1u28 n SER 166 Ca 0.04 -0.95 0.09 0.00 -0.26 0.00 0.00 58.87 57.79 1u28 n SER 166 Cb 0.17 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.45 1u28 n SER 166 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1u28 n MET 167 N 0.00 1.59 -1.40 4.33 2.81 -1.26 -4.99 117.12 118.20 1u28 n MET 167 Ca 0.00 -0.90 -0.35 0.00 -1.81 0.00 0.00 57.70 54.65 1u28 n MET 167 Cb 0.00 -1.33 0.10 0.00 -0.71 0.00 0.00 33.22 31.28 1u28 n MET 167 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u28 s ALA 168 N -1.78 2.08 1.02 3.04 0.00 -1.26 -5.01 121.76 119.86 1u28 s ALA 168 Ca 0.28 0.96 -0.16 0.00 0.00 0.00 0.00 51.96 53.04 1u28 s ALA 168 Cb 0.15 -3.50 0.21 0.00 0.00 0.00 0.00 23.12 19.97 1u28 s ALA 168 CO 0.22 -1.96 1.23 -1.54 0.00 0.00 0.00 175.76 173.70 1u28 s SER 169 N -1.90 2.56 0.00 0.00 1.04 -1.26 -5.08 113.70 109.06 1u28 s SER 169 Ca 0.76 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.68 1u28 s SER 169 Cb -0.31 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.13 1u28 s SER 169 CO 0.46 -3.10 0.00 0.61 0.98 0.00 0.00 173.24 172.19 1u28 n GLY 170 N -2.70 1.83 0.22 7.32 0.00 -1.26 -4.92 105.19 105.68 1u28 n GLY 170 Ca 0.13 -1.86 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 1u28 n GLY 170 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1u28 h TYR 171 N 0.00 0.54 0.00 1.61 3.20 -1.99 -2.99 116.97 117.34 1u28 h TYR 171 Ca 0.00 -0.14 -0.09 0.00 3.14 0.00 0.00 58.73 61.64 1u28 h TYR 171 Cb 0.00 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1u28 h TYR 171 CO 0.00 0.76 -0.44 0.00 -1.64 0.00 0.00 178.16 176.84 1u28 h ALA 172 N 1.23 1.09 -1.42 1.82 0.00 -1.99 -3.47 119.26 116.51 1u28 h ALA 172 Ca 0.04 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1u28 h ALA 172 Cb 0.81 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1u28 h ALA 172 CO 0.07 0.55 -0.14 0.41 0.00 0.00 0.00 179.25 180.14 1u28 n GLY 173 N 0.04 0.39 3.23 0.00 0.00 -1.13 -5.00 105.19 102.72 1u28 n GLY 173 Ca -0.01 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 1u28 n GLY 173 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u28 s VAL 174 N -2.66 1.36 0.73 1.61 -7.23 -1.26 -4.99 120.40 107.96 1u28 s VAL 174 Ca 0.07 -1.54 -0.11 0.00 -1.81 0.00 0.00 61.98 58.60 1u28 s VAL 174 Cb -0.03 -1.38 0.03 0.00 0.56 0.00 0.00 36.38 35.56 1u28 s VAL 174 CO 0.09 -0.26 1.07 -0.70 -0.31 0.00 0.00 175.10 174.99 1u28 s GLU 175 N -2.16 2.62 -0.17 4.82 2.12 -1.26 -4.48 118.70 120.19 1u28 s GLU 175 Ca 0.05 1.06 0.01 0.00 0.36 0.00 0.00 54.97 56.45 1u28 s GLU 175 Cb -0.08 -1.95 0.02 0.00 0.26 0.00 0.00 34.13 32.39 1u28 s GLU 175 CO 0.03 -1.35 -0.17 1.21 -0.54 0.00 0.00 175.26 174.43 1u28 s ASN 176 N -3.59 3.05 0.45 -1.70 3.84 -1.26 -4.99 114.94 110.75 1u28 s ASN 176 Ca 0.60 -0.64 0.14 0.00 0.21 0.00 0.00 52.86 53.17 1u28 s ASN 176 Cb -0.16 -1.38 1.02 0.00 -0.55 0.00 0.00 41.25 40.18 1u28 s ASN 176 CO 0.55 -0.03 2.00 -0.08 -2.79 0.00 0.00 177.10 176.76 1u28 h GLU 177 N 7.97 0.01 -0.24 0.43 4.57 -1.97 -3.06 114.58 122.30 1u28 h GLU 177 Ca -0.42 -0.00 0.07 0.00 -1.18 0.00 0.00 59.36 57.83 1u28 h GLU 177 Cb 1.13 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1u28 h GLU 177 CO 0.59 0.17 0.18 -0.07 -1.18 0.00 0.00 179.01 178.71 1u28 h LEU 178 N 0.01 0.00 -1.91 1.64 3.38 -1.95 -2.06 115.31 114.43 1u28 h LEU 178 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1u28 h LEU 178 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1u28 h LEU 178 CO 0.02 0.00 0.10 -0.26 0.09 0.00 0.00 178.44 178.39 1u28 h PHE 179 N 0.00 0.12 -3.08 1.13 0.04 -1.95 -3.30 116.94 109.89 1u28 h PHE 179 Ca 0.11 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.27 1u28 h PHE 179 Cb 0.48 -0.04 -0.41 0.00 2.20 0.00 0.00 35.95 38.18 1u28 h PHE 179 CO 0.00 0.07 -0.65 -0.59 -0.60 0.00 0.00 178.31 176.54 1u28 s PHE 180 N -5.16 2.99 0.33 -0.55 -0.71 -0.77 -4.36 117.98 109.76 1u28 s PHE 180 Ca -0.06 -3.07 -0.02 0.00 -1.04 0.00 0.00 56.93 52.75 1u28 s PHE 180 Cb 0.17 -2.44 -0.00 0.00 -1.21 0.00 0.00 43.02 39.54 1u28 s PHE 180 CO 0.69 -0.66 0.45 -0.98 -1.34 0.00 0.00 175.22 173.38 1u28 s ARG 181 N -0.74 1.87 0.26 1.99 1.70 -1.24 -5.01 118.95 117.77 1u28 s ARG 181 Ca 0.23 -1.75 -0.03 0.00 -0.47 0.00 0.00 55.73 53.70 1u28 s ARG 181 Cb -0.12 0.43 0.32 0.00 -0.57 0.00 0.00 34.95 35.01 1u28 s ARG 181 CO -0.10 -0.77 1.80 -2.95 -1.08 0.00 0.00 175.30 172.21 1u28 h ASN 182 N 2.13 0.87 -0.13 -2.89 7.08 -1.96 -3.11 115.58 117.57 1u28 h ASN 182 Ca -0.28 -0.16 0.00 0.00 -3.08 0.00 0.00 56.30 52.78 1u28 h ASN 182 Cb 1.24 -0.23 0.00 0.00 -2.08 0.00 0.00 38.32 37.25 1u28 h ASN 182 CO 0.39 0.83 0.00 -0.46 -2.08 0.00 0.00 177.43 176.11 1u28 n ASN 183 N -4.27 0.91 -4.39 6.14 6.94 -1.26 -4.86 115.26 114.47 1u28 n ASN 183 Ca 0.05 -1.76 -0.32 0.00 -0.02 0.00 0.00 54.58 52.53 1u28 n ASN 183 Cb 0.22 -0.08 -0.15 0.00 -2.36 0.00 0.00 39.78 37.41 1u28 n ASN 183 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1u28 s THR 184 N -1.83 2.53 -0.06 5.53 2.01 -1.18 -1.05 115.64 121.59 1u28 s THR 184 Ca 0.22 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.29 1u28 s THR 184 Cb 0.11 -1.94 0.02 0.00 0.01 0.00 0.00 72.50 70.69 1u28 s THR 184 CO 0.17 0.57 -0.10 -0.32 -0.69 0.00 0.00 174.62 174.25 1u28 s MET 185 N -0.71 1.45 0.32 4.92 1.75 -0.11 -4.76 119.30 122.16 1u28 s MET 185 Ca 0.11 -0.32 -0.10 0.00 -1.25 0.00 0.00 55.69 54.12 1u28 s MET 185 Cb -0.10 -1.25 -0.07 0.00 2.84 0.00 0.00 34.83 36.24 1u28 s MET 185 CO -0.00 -0.01 0.66 -1.64 -0.65 0.00 0.00 175.02 173.38 1u28 s MET 186 N 0.76 3.80 -0.30 4.11 -1.94 -1.12 -2.45 119.30 122.16 1u28 s MET 186 Ca -0.13 0.37 0.01 0.00 -1.71 0.00 0.00 55.69 54.22 1u28 s MET 186 Cb -0.15 -2.51 0.09 0.00 2.01 0.00 0.00 34.83 34.27 1u28 s MET 186 CO 0.02 0.14 0.06 -0.51 -0.01 0.00 0.00 175.02 174.73 1u28 s LEU 187 N -3.34 2.88 -1.08 -0.03 1.43 0.49 -3.66 118.68 115.37 1u28 s LEU 187 Ca 0.49 -1.67 -0.15 0.00 -1.03 0.00 0.00 54.13 51.77 1u28 s LEU 187 Cb -0.11 -1.09 0.17 0.00 0.03 0.00 0.00 46.19 45.20 1u28 s LEU 187 CO 0.25 -0.38 1.25 -0.36 0.23 0.00 0.00 176.35 177.35 1u28 s PHE 188 N 1.42 3.47 0.20 0.29 0.08 -1.20 -2.51 117.98 119.73 1u28 s PHE 188 Ca 0.07 -1.93 -0.23 0.00 0.12 0.00 0.00 56.93 54.97 1u28 s PHE 188 Cb -0.18 -4.22 0.05 0.00 -0.57 0.00 0.00 43.02 38.09 1u28 s PHE 188 CO -0.17 -1.36 0.76 0.20 -0.10 0.00 0.00 175.22 174.55 1u28 s GLY 189 N 2.91 -0.27 0.30 4.36 0.00 -1.10 -4.88 107.32 108.64 1u28 s GLY 189 Ca 0.36 0.06 -0.28 0.00 0.00 0.00 0.00 44.72 44.86 1u28 s GLY 189 CO -0.05 0.02 1.09 1.34 0.00 0.00 0.00 173.10 175.50 1u28 n ASP 190 N -0.43 1.69 0.13 1.64 -0.08 -1.26 -3.35 116.55 114.90 1u28 n ASP 190 Ca -0.08 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.39 1u28 n ASP 190 Cb 0.61 -1.34 0.30 0.00 2.34 0.00 0.00 41.12 43.03 1u28 n ASP 190 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u28 h ALA 191 N 2.18 1.27 -0.03 -1.67 0.00 -1.92 0.12 119.26 119.21 1u28 h ALA 191 Ca -0.41 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.09 1u28 h ALA 191 Cb 1.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1u28 h ALA 191 CO 0.61 0.51 -0.18 -0.22 0.00 0.00 0.00 179.25 179.98 1u28 h LYS 192 N 0.12 0.17 0.07 0.00 3.64 -1.87 -3.07 116.57 115.62 1u28 h LYS 192 Ca 0.01 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1u28 h LYS 192 Cb 0.70 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1u28 h LYS 192 CO 0.05 0.82 -0.03 0.87 -2.27 0.00 0.00 179.45 178.89 1u28 h LYS 193 N -0.43 -0.08 -0.80 1.90 1.57 -1.84 -1.99 116.57 114.91 1u28 h LYS 193 Ca -0.01 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.87 1u28 h LYS 193 Cb 0.86 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.12 1u28 h LYS 193 CO 0.04 0.10 0.44 0.52 -0.57 0.00 0.00 179.45 179.97 1u28 h MET 194 N -0.25 0.72 -0.02 3.15 2.86 -0.92 -1.18 114.93 119.29 1u28 h MET 194 Ca -0.01 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.39 1u28 h MET 194 Cb 0.22 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.73 1u28 h MET 194 CO 0.01 0.47 -0.75 1.15 1.06 0.00 0.00 176.91 178.86 1u28 h THR 195 N 0.74 1.36 -0.42 2.22 2.02 -1.48 -1.87 112.91 115.48 1u28 h THR 195 Ca 0.39 -2.10 0.08 0.00 0.77 0.00 0.00 66.41 65.55 1u28 h THR 195 Cb 0.37 2.45 -0.07 0.00 -1.74 0.00 0.00 68.15 69.16 1u28 h THR 195 CO -0.26 0.63 -0.05 -0.33 0.37 0.00 0.00 175.52 175.88 1u28 h GLU 196 N 0.12 0.05 -0.86 6.66 5.08 -1.23 -1.58 114.58 122.83 1u28 h GLU 196 Ca -0.09 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1u28 h GLU 196 Cb 1.43 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.62 1u28 h GLU 196 CO 0.15 0.03 0.55 1.96 -1.00 0.00 0.00 179.01 180.71 1u28 h GLN 197 N 0.05 1.04 -0.51 2.33 4.20 -1.13 -2.69 115.11 118.40 1u28 h GLN 197 Ca 0.20 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 1u28 h GLN 197 Cb 0.30 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1u28 h GLN 197 CO -0.39 0.69 0.01 0.82 -0.67 0.00 0.00 178.83 179.29 1u28 h ILE 198 N 1.08 1.25 -0.79 2.54 2.04 -0.84 -2.31 117.51 120.48 1u28 h ILE 198 Ca 0.34 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1u28 h ILE 198 Cb 0.00 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1u28 h ILE 198 CO -0.11 0.37 0.42 0.58 0.00 0.00 0.00 178.15 179.40 1u28 h VAL 199 N 0.79 1.24 -0.32 1.67 2.07 -0.99 -1.70 116.25 119.01 1u28 h VAL 199 Ca 0.15 -0.61 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 1u28 h VAL 199 Cb 0.46 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1u28 h VAL 199 CO 0.02 0.27 -0.35 -0.61 0.02 0.00 0.00 177.57 176.92 1u28 h GLN 200 N 1.11 0.73 0.00 1.57 -0.00 -1.25 -2.17 115.11 115.11 1u28 h GLN 200 Ca 0.28 -0.36 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 1u28 h GLN 200 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.52 1u28 h GLN 200 CO -0.04 0.97 0.00 0.00 0.00 0.00 0.00 178.83 179.76 1u28 h ALA 201 N 0.99 1.00 0.00 3.38 0.00 -1.16 -2.94 119.26 120.53 1u28 h ALA 201 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1u28 h ALA 201 Cb 0.88 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1u28 h ALA 201 CO 0.08 0.00 -0.72 1.98 0.00 0.00 0.00 179.25 180.59 1u28 h MET 202 N 0.00 0.00 0.00 0.00 4.05 -0.65 -3.46 114.93 114.87 1u28 h MET 202 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1u28 h MET 202 Cb 0.41 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1u28 h MET 202 CO 0.00 0.29 0.00 -1.71 0.23 0.00 0.00 176.91 175.72