#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs1 s ARG 2 N 0.00 2.78 0.19 2.12 1.81 -1.26 -4.07 118.95 120.51 1xs1 s ARG 2 Ca 0.00 -0.85 -0.30 0.00 -1.72 0.00 0.00 55.73 52.86 1xs1 s ARG 2 Cb 0.00 -2.61 -0.09 0.00 -0.45 0.00 0.00 34.95 31.80 1xs1 s ARG 2 CO 0.00 0.51 1.36 -0.51 -0.68 0.00 0.00 175.30 175.98 1xs1 s LEU 3 N -2.78 4.40 0.88 2.53 1.43 -0.54 -5.01 118.68 119.58 1xs1 s LEU 3 Ca 0.29 2.45 -0.12 0.00 -1.03 0.00 0.00 54.13 55.72 1xs1 s LEU 3 Cb -0.11 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.63 1xs1 s LEU 3 CO 0.22 -0.60 1.16 0.00 0.23 0.00 0.00 176.35 177.35 1xs1 h ASP 5 N -1.37 0.49 -0.44 0.00 3.04 -1.12 -0.87 116.42 116.15 1xs1 h ASP 5 Ca -0.49 0.02 -0.02 0.00 -3.24 0.00 0.00 57.03 53.30 1xs1 h ASP 5 Cb 1.33 -0.08 -0.02 0.00 -1.04 0.00 0.00 39.33 39.52 1xs1 h ASP 5 CO 0.62 0.34 0.22 -0.09 -2.04 0.00 0.00 179.24 178.29 1xs1 h ARG 6 N 0.62 0.67 -0.06 4.15 2.43 -1.92 -1.15 114.38 119.12 1xs1 h ARG 6 Ca 0.25 -0.08 -0.20 0.00 -0.81 0.00 0.00 59.98 59.14 1xs1 h ARG 6 Cb 0.11 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1xs1 h ARG 6 CO -0.14 0.53 -0.81 -0.44 -1.51 0.00 0.00 179.97 177.59 1xs1 h ASP 7 N 0.67 0.53 -0.30 -3.80 3.32 -1.73 -1.86 116.42 113.26 1xs1 h ASP 7 Ca 0.17 -0.38 0.04 0.00 0.02 0.00 0.00 57.03 56.88 1xs1 h ASP 7 Cb 0.09 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 1xs1 h ASP 7 CO -0.02 1.14 0.06 0.40 -1.72 0.00 0.00 179.24 179.10 1xs1 h ILE 8 N 0.28 0.86 0.00 0.35 2.04 -0.06 0.78 117.51 121.76 1xs1 h ILE 8 Ca -0.05 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1xs1 h ILE 8 Cb 1.41 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1xs1 h ILE 8 CO 0.14 0.03 -0.16 -0.33 0.00 0.00 0.00 178.15 177.83 1xs1 h GLU 9 N 0.17 0.00 -0.18 2.37 5.08 -1.16 0.16 114.58 121.03 1xs1 h GLU 9 Ca 0.14 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 1xs1 h GLU 9 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xs1 h GLU 9 CO -0.18 0.16 -0.53 0.00 -1.00 0.00 0.00 179.01 177.46 1xs1 h ALA 10 N 1.84 0.30 -0.32 3.43 0.00 -0.12 0.73 119.26 125.12 1xs1 h ALA 10 Ca -0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1xs1 h ALA 10 Cb 0.31 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1xs1 h ALA 10 CO 0.02 0.50 -0.14 -1.49 0.00 0.00 0.00 179.25 178.14 1xs1 h TRP 11 N 0.36 0.61 -0.25 0.00 4.06 0.92 -1.19 115.95 120.47 1xs1 h TRP 11 Ca -0.02 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.81 1xs1 h TRP 11 Cb 1.15 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 29.14 1xs1 h TRP 11 CO 0.09 0.68 0.06 -0.07 -3.56 0.00 0.00 178.44 175.65 1xs1 h LEU 12 N 0.52 0.37 -0.74 -4.49 3.38 -0.40 -1.85 115.31 112.10 1xs1 h LEU 12 Ca 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1xs1 h LEU 12 Cb 0.54 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1xs1 h LEU 12 CO 0.03 0.50 0.39 0.44 0.09 0.00 0.00 178.44 179.90 1xs1 h ASP 13 N 0.22 0.94 -0.20 -0.43 3.32 -0.71 -2.57 116.42 116.99 1xs1 h ASP 13 Ca 0.08 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1xs1 h ASP 13 Cb 0.27 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1xs1 h ASP 13 CO 0.00 0.78 0.00 -0.62 -1.72 0.00 0.00 179.24 177.68 1xs1 n GLU 14 N -4.44 1.52 -1.17 3.56 1.02 -0.46 -4.90 120.64 115.77 1xs1 n GLU 14 Ca 0.07 -0.81 -0.06 0.00 -0.02 0.00 0.00 57.16 56.34 1xs1 n GLU 14 Cb 0.10 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1xs1 n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xs1 n GLY 15 N 0.91 0.83 0.21 0.62 0.00 -0.76 -4.90 105.19 102.11 1xs1 n GLY 15 Ca 0.10 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1xs1 n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xs1 h ARG 16 N 0.07 0.00 -3.91 1.61 3.08 -1.65 -3.44 114.38 110.14 1xs1 h ARG 16 Ca -0.12 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 1xs1 h ARG 16 Cb 0.42 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.33 1xs1 h ARG 16 CO 0.18 0.02 -0.39 -0.48 -1.07 0.00 0.00 179.97 178.22 1xs1 s LEU 17 N -6.20 1.37 0.07 3.04 2.34 -1.24 -3.97 118.68 114.09 1xs1 s LEU 17 Ca 0.07 -0.79 0.07 0.00 0.06 0.00 0.00 54.13 53.54 1xs1 s LEU 17 Cb 0.05 0.98 -0.03 0.00 -0.56 0.00 0.00 46.19 46.63 1xs1 s LEU 17 CO 0.68 -0.77 -0.18 -0.44 -1.06 0.00 0.00 176.35 174.58 1xs1 s SER 18 N -2.91 2.11 -0.11 1.48 0.01 -0.87 -4.46 113.70 108.96 1xs1 s SER 18 Ca 0.10 -0.60 -0.02 0.00 1.31 0.00 0.00 55.95 56.75 1xs1 s SER 18 Cb 0.05 -0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.20 1xs1 s SER 18 CO -0.06 0.03 0.02 -0.63 0.41 0.00 0.00 173.24 173.01 1xs1 s ILE 19 N -1.08 0.34 -0.19 1.44 1.01 -1.26 -1.67 121.20 119.79 1xs1 s ILE 19 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.62 1xs1 s ILE 19 Cb -0.09 -0.64 0.05 0.00 0.01 0.00 0.00 42.46 41.79 1xs1 s ILE 19 CO 0.03 0.08 -0.05 0.21 0.00 0.00 0.00 174.94 175.21 1xs1 s ASN 20 N 1.97 3.16 0.71 3.58 2.47 0.63 -1.97 114.94 125.49 1xs1 s ASN 20 Ca 0.03 -0.84 -0.11 0.00 0.42 0.00 0.00 52.86 52.36 1xs1 s ASN 20 Cb -0.14 -0.98 0.01 0.00 -1.45 0.00 0.00 41.25 38.70 1xs1 s ASN 20 CO -0.06 -0.21 1.07 -2.16 -3.72 0.00 0.00 177.10 172.02 1xs1 s PRO 21 N 1.57 2.87 -0.31 0.43 0.04 -1.26 -0.93 135.00 137.40 1xs1 s PRO 21 Ca -0.01 0.69 -0.28 0.00 0.04 0.00 0.00 61.00 61.44 1xs1 s PRO 21 Cb -0.16 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1xs1 s PRO 21 CO -0.07 -1.08 1.02 0.50 0.04 0.00 0.00 177.00 177.40 1xs1 s ARG 22 N -5.19 4.05 0.54 4.56 3.52 -0.83 -4.88 118.95 120.72 1xs1 s ARG 22 Ca 0.58 0.99 -0.21 0.00 -0.13 0.00 0.00 55.73 56.96 1xs1 s ARG 22 Cb -0.13 -3.73 -0.06 0.00 -1.56 0.00 0.00 34.95 29.47 1xs1 s ARG 22 CO 0.54 -0.85 1.08 -2.30 -0.81 0.00 0.00 175.30 172.96 1xs1 n PRO 23 N 6.71 1.25 -1.00 5.12 -0.02 -1.26 -4.98 135.00 140.82 1xs1 n PRO 23 Ca 0.10 0.46 -0.30 0.00 -2.02 0.00 0.00 63.50 61.75 1xs1 n PRO 23 Cb 0.47 -2.25 0.23 0.00 -0.02 0.00 0.00 33.50 31.94 1xs1 n PRO 23 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xs1 s PRO 24 N -2.58 -1.10 0.52 0.52 0.04 -1.26 -4.86 135.00 126.27 1xs1 s PRO 24 Ca 0.71 0.10 0.29 0.00 0.04 0.00 0.00 61.00 62.14 1xs1 s PRO 24 Cb -0.45 -1.60 1.37 0.00 0.04 0.00 0.00 34.50 33.86 1xs1 s PRO 24 CO 0.50 -3.66 2.01 -0.24 0.04 0.00 0.00 177.00 175.65 1xs1 h VAL 25 N -2.55 0.42 0.00 -0.36 3.04 -1.93 -1.69 116.25 113.17 1xs1 h VAL 25 Ca -0.48 -0.65 -0.02 0.00 -1.01 0.00 0.00 66.70 64.54 1xs1 h VAL 25 Cb 1.31 1.46 -0.00 0.00 -2.01 0.00 0.00 31.29 32.05 1xs1 h VAL 25 CO 0.39 0.12 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.66 1xs1 h GLU 26 N 0.00 0.00 -0.43 4.17 3.07 -2.02 -3.01 114.58 116.35 1xs1 h GLU 26 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xs1 h GLU 26 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1xs1 h GLU 26 CO 0.02 0.08 0.00 0.54 -1.40 0.00 0.00 179.01 178.25 1xs1 n ARG 27 N -3.49 2.93 -3.93 2.33 5.12 -0.64 -4.82 116.66 114.16 1xs1 n ARG 27 Ca -0.02 -2.32 -0.30 0.00 -1.93 0.00 0.00 57.85 53.28 1xs1 n ARG 27 Cb 0.22 -1.44 -0.16 0.00 -1.16 0.00 0.00 32.46 29.92 1xs1 n ARG 27 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xs1 s ILE 28 N -1.27 1.48 0.06 0.55 1.01 -1.14 -0.81 121.20 121.08 1xs1 s ILE 28 Ca 0.32 -1.19 -0.26 0.00 0.00 0.00 0.00 60.65 59.52 1xs1 s ILE 28 Cb 0.19 -1.76 0.08 0.00 0.01 0.00 0.00 42.46 40.98 1xs1 s ILE 28 CO 0.19 -0.11 0.70 0.54 0.00 0.00 0.00 174.94 176.26 1xs1 s ASN 29 N 1.42 -0.54 1.67 3.58 2.20 -0.46 -4.92 114.94 117.89 1xs1 s ASN 29 Ca -0.06 0.20 0.00 0.00 -0.94 0.00 0.00 52.86 52.06 1xs1 s ASN 29 Cb -0.19 0.53 0.00 0.00 -2.00 0.00 0.00 41.25 39.59 1xs1 s ASN 29 CO -0.06 -0.78 0.00 0.61 -2.94 0.00 0.00 177.10 173.93 1xs1 n GLY 30 N 0.03 0.99 0.90 0.45 0.00 -1.26 -1.06 105.19 105.24 1xs1 n GLY 30 Ca -0.15 0.49 0.04 0.00 0.00 0.00 0.00 46.02 46.40 1xs1 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs1 n ALA 31 N 9.36 2.60 -2.25 4.61 0.00 -1.26 -0.56 120.51 133.01 1xs1 n ALA 31 Ca 0.00 -2.34 -0.08 0.00 0.00 0.00 0.00 53.44 51.02 1xs1 n ALA 31 Cb 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 1xs1 n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xs1 s THR 32 N -1.14 0.16 -0.17 0.00 -4.23 -0.22 -4.42 115.64 105.62 1xs1 s THR 32 Ca 0.28 -1.68 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1xs1 s THR 32 Cb 0.29 -1.64 0.02 0.00 1.34 0.00 0.00 72.50 72.51 1xs1 s THR 32 CO -0.09 -0.75 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.36 1xs1 s VAL 33 N -3.94 2.15 0.48 2.29 1.01 -0.54 -1.35 120.40 120.50 1xs1 s VAL 33 Ca 0.12 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 1xs1 s VAL 33 Cb 0.07 -1.90 -0.07 0.00 0.00 0.00 0.00 36.38 34.48 1xs1 s VAL 33 CO -0.07 0.53 1.13 -1.81 0.00 0.00 0.00 175.10 174.89 1xs1 s ASP 34 N 1.19 6.12 0.29 3.32 1.01 0.01 -0.86 116.67 127.75 1xs1 s ASP 34 Ca 0.02 2.21 0.11 0.00 0.71 0.00 0.00 52.55 55.61 1xs1 s ASP 34 Cb -0.14 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.15 1xs1 s ASP 34 CO -0.10 -0.95 -0.18 0.68 0.21 0.00 0.00 175.17 174.84 1xs1 s VAL 35 N -1.66 2.42 0.28 -1.27 -7.23 -0.13 -4.89 120.40 107.92 1xs1 s VAL 35 Ca 0.66 -2.36 0.11 0.00 -1.81 0.00 0.00 61.98 58.57 1xs1 s VAL 35 Cb -0.25 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 1xs1 s VAL 35 CO 0.30 -0.36 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.50 1xs1 s ARG 36 N -3.53 1.95 0.17 4.82 0.52 -1.26 -1.02 118.95 120.59 1xs1 s ARG 36 Ca 0.30 -1.63 -0.30 0.00 -0.52 0.00 0.00 55.73 53.58 1xs1 s ARG 36 Cb -0.03 -1.93 -0.07 0.00 0.52 0.00 0.00 34.95 33.43 1xs1 s ARG 36 CO 0.15 0.33 1.01 -1.17 0.02 0.00 0.00 175.30 175.64 1xs1 s LEU 37 N -3.59 4.53 0.00 2.53 2.96 0.13 0.31 118.68 125.55 1xs1 s LEU 37 Ca 0.31 1.94 -0.05 0.00 -0.22 0.00 0.00 54.13 56.11 1xs1 s LEU 37 Cb -0.05 -3.60 0.07 0.00 0.50 0.00 0.00 46.19 43.11 1xs1 s LEU 37 CO 0.17 -0.07 0.38 0.61 -1.32 0.00 0.00 176.35 176.12 1xs1 n GLY 38 N 1.98 -1.36 2.62 7.98 0.00 0.74 -0.38 105.19 116.76 1xs1 n GLY 38 Ca 0.01 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 1xs1 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xs1 n ASN 39 N -3.28 3.36 -3.76 1.61 0.23 -1.26 -4.35 115.26 107.82 1xs1 n ASN 39 Ca 0.05 -3.42 -0.15 0.00 -0.53 0.00 0.00 54.58 50.53 1xs1 n ASN 39 Cb 0.17 -0.54 -0.16 0.00 -2.08 0.00 0.00 39.78 37.17 1xs1 n ASN 39 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1xs1 s LYS 40 N -3.23 0.01 0.07 -3.83 1.02 -1.26 -4.13 119.74 108.39 1xs1 s LYS 40 Ca 0.44 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.70 1xs1 s LYS 40 Cb 0.35 -0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 1xs1 s LYS 40 CO -0.12 -0.18 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.03 1xs1 s PHE 41 N 1.18 0.64 0.01 3.18 0.40 -0.30 -3.78 117.98 119.31 1xs1 s PHE 41 Ca -0.08 -0.98 0.00 0.00 -0.60 0.00 0.00 56.93 55.26 1xs1 s PHE 41 Cb -0.12 -0.43 -0.01 0.00 0.51 0.00 0.00 43.02 42.97 1xs1 s PHE 41 CO -0.04 -0.29 -0.02 1.03 0.70 0.00 0.00 175.22 176.61 1xs1 s ARG 42 N -3.75 0.14 0.53 0.44 0.52 -0.31 -0.17 118.95 116.36 1xs1 s ARG 42 Ca 0.07 -0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 1xs1 s ARG 42 Cb 0.06 0.00 0.01 0.00 0.52 0.00 0.00 34.95 35.54 1xs1 s ARG 42 CO -0.08 -0.01 0.10 0.95 0.02 0.00 0.00 175.30 176.28 1xs1 s THR 43 N -0.51 1.16 0.06 0.02 -4.23 -1.26 -1.23 115.64 109.65 1xs1 s THR 43 Ca -0.05 -1.88 0.08 0.00 -1.18 0.00 0.00 61.69 58.65 1xs1 s THR 43 Cb -0.04 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1xs1 s THR 43 CO -0.00 0.00 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.52 1xs1 s PHE 44 N -2.88 2.52 -0.74 3.99 0.40 -1.26 -0.84 117.98 119.17 1xs1 s PHE 44 Ca 0.09 -0.28 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1xs1 s PHE 44 Cb -0.00 -1.42 0.20 0.00 0.51 0.00 0.00 43.02 42.30 1xs1 s PHE 44 CO 0.05 0.27 0.62 0.54 0.70 0.00 0.00 175.22 177.40 1xs1 n ARG 45 N 1.39 2.17 0.01 0.44 1.74 0.51 -4.90 116.66 118.02 1xs1 n ARG 45 Ca -0.16 -4.53 0.05 0.00 -0.77 0.00 0.00 57.85 52.44 1xs1 n ARG 45 Cb 0.52 -2.31 0.44 0.00 -1.02 0.00 0.00 32.46 30.10 1xs1 n ARG 45 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1xs1 h GLY 46 N 5.26 0.54 2.00 -0.13 0.00 -1.91 -3.17 103.07 105.66 1xs1 h GLY 46 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1xs1 h GLY 46 CO 0.78 0.19 0.00 1.12 0.00 0.00 0.00 176.54 178.63 1xs1 h HIS 47 N 0.51 0.00 -0.00 5.60 2.07 -1.97 -2.30 115.15 119.07 1xs1 h HIS 47 Ca 0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.67 1xs1 h HIS 47 Cb -0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.96 1xs1 h HIS 47 CO -0.00 0.00 -0.12 0.25 -3.07 0.00 0.00 177.93 174.99 1xs1 n THR 48 N -2.86 0.00 -3.67 6.12 -2.24 -1.20 -4.89 114.28 105.55 1xs1 n THR 48 Ca 0.01 -0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.62 1xs1 n THR 48 Cb 0.25 -0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.12 1xs1 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs1 s ALA 49 N -2.85 -1.19 0.08 6.98 0.00 -0.87 -4.95 121.76 118.96 1xs1 s ALA 49 Ca 0.18 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 1xs1 s ALA 49 Cb 0.19 -0.03 -0.23 0.00 0.00 0.00 0.00 23.12 23.05 1xs1 s ALA 49 CO 0.54 -0.30 1.17 0.00 0.00 0.00 0.00 175.76 177.18 1xs1 h ALA 50 N 3.68 0.12 -2.33 0.00 0.00 -1.90 -3.47 119.26 115.36 1xs1 h ALA 50 Ca -0.28 -0.76 0.20 0.00 0.00 0.00 0.00 54.91 54.07 1xs1 h ALA 50 Cb 1.16 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1xs1 h ALA 50 CO 0.38 0.75 0.63 -0.59 0.00 0.00 0.00 179.25 180.42 1xs1 s PHE 51 N -3.08 0.01 -0.12 0.00 -0.12 -1.26 -5.15 117.98 108.26 1xs1 s PHE 51 Ca -0.08 -0.33 0.01 0.00 -0.05 0.00 0.00 56.93 56.48 1xs1 s PHE 51 Cb 0.07 0.66 0.02 0.00 -0.63 0.00 0.00 43.02 43.13 1xs1 s PHE 51 CO 0.91 -0.76 -0.13 0.42 -0.05 0.00 0.00 175.22 175.61 1xs1 s ILE 52 N -2.41 1.39 -1.03 -4.49 1.01 -1.26 -5.03 121.20 109.38 1xs1 s ILE 52 Ca 0.20 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 1xs1 s ILE 52 Cb -0.01 -1.31 0.18 0.00 0.01 0.00 0.00 42.46 41.32 1xs1 s ILE 52 CO 0.03 0.43 1.17 -0.62 0.00 0.00 0.00 174.94 175.95 1xs1 s ASP 53 N 1.31 6.90 0.35 3.58 2.15 -1.26 -4.88 116.67 124.81 1xs1 s ASP 53 Ca -0.00 -2.68 0.16 0.00 0.43 0.00 0.00 52.55 50.46 1xs1 s ASP 53 Cb -0.14 -2.34 1.17 0.00 -0.30 0.00 0.00 42.92 41.31 1xs1 s ASP 53 CO -0.06 -0.77 1.61 -0.07 -0.17 0.00 0.00 175.17 175.71 1xs1 h LEU 54 N 9.26 0.30 -5.81 -1.34 3.38 -1.97 -1.26 115.31 117.87 1xs1 h LEU 54 Ca 0.21 0.23 -0.57 0.00 0.09 0.00 0.00 57.88 57.84 1xs1 h LEU 54 Cb 0.96 0.24 -0.41 0.00 0.09 0.00 0.00 40.66 41.54 1xs1 h LEU 54 CO 1.09 -0.31 -0.81 -1.54 0.09 0.00 0.00 178.44 176.96 1xs1 n SER 55 N -5.21 2.89 -3.13 -0.43 3.41 -1.26 -4.70 113.62 105.19 1xs1 n SER 55 Ca 0.34 -3.33 -0.14 0.00 -0.26 0.00 0.00 58.87 55.48 1xs1 n SER 55 Cb 1.10 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1xs1 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs1 n GLY 56 N 0.45 3.91 3.65 5.00 0.00 -0.48 -5.07 105.19 112.65 1xs1 n GLY 56 Ca 0.28 -2.28 -0.58 0.00 0.00 0.00 0.00 46.02 43.44 1xs1 n GLY 56 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xs1 n PRO 57 N -0.55 0.73 -0.36 1.61 -0.02 -1.26 -4.80 135.00 130.35 1xs1 n PRO 57 Ca -0.09 0.27 0.03 0.00 -2.02 0.00 0.00 63.50 61.68 1xs1 n PRO 57 Cb 0.27 -1.87 0.18 0.00 -0.02 0.00 0.00 33.50 32.06 1xs1 n PRO 57 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1xs1 h LYS 58 N 5.32 1.14 -0.33 -0.52 3.64 -1.96 -1.26 116.57 122.60 1xs1 h LYS 58 Ca -0.47 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 58.72 1xs1 h LYS 58 Cb 1.35 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1xs1 h LYS 58 CO 0.86 0.75 -0.26 -0.44 -2.27 0.00 0.00 179.45 178.09 1xs1 h ASP 59 N 1.17 0.80 0.00 4.20 3.32 -1.95 -0.83 116.42 123.12 1xs1 h ASP 59 Ca 0.42 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1xs1 h ASP 59 Cb 0.15 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1xs1 h ASP 59 CO -0.16 1.08 0.00 -0.62 -1.72 0.00 0.00 179.24 177.82 1xs1 n GLU 60 N -4.25 0.00 -0.29 3.56 1.02 -0.68 -1.03 120.64 118.98 1xs1 n GLU 60 Ca -0.03 0.50 -0.03 0.00 -0.02 0.00 0.00 57.16 57.58 1xs1 n GLU 60 Cb 0.46 -1.41 0.03 0.00 -0.02 0.00 0.00 31.44 30.50 1xs1 n GLU 60 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1xs1 h VAL 61 N 0.00 0.10 -0.78 2.62 2.07 -1.36 0.29 116.25 119.18 1xs1 h VAL 61 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 1xs1 h VAL 61 Cb 0.00 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 29.77 1xs1 h VAL 61 CO 0.00 0.00 0.31 -1.28 0.02 0.00 0.00 177.57 176.62 1xs1 h SER 62 N -0.08 0.28 -0.24 0.57 0.87 -1.13 0.13 113.55 113.94 1xs1 h SER 62 Ca 0.29 0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.90 1xs1 h SER 62 Cb 0.58 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1xs1 h SER 62 CO -0.83 0.09 -0.13 0.00 -0.53 0.00 0.00 176.83 175.43 1xs1 h ALA 63 N 1.58 0.34 -0.50 6.23 0.00 0.12 -2.47 119.26 124.56 1xs1 h ALA 63 Ca 0.44 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1xs1 h ALA 63 Cb 0.70 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1xs1 h ALA 63 CO -0.43 0.21 0.11 0.00 0.00 0.00 0.00 179.25 179.15 1xs1 h ALA 64 N 0.72 0.58 -0.39 0.00 0.00 0.11 -0.17 119.26 120.10 1xs1 h ALA 64 Ca 0.05 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1xs1 h ALA 64 Cb 0.63 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1xs1 h ALA 64 CO 0.04 -0.29 0.10 -0.07 0.00 0.00 0.00 179.25 179.02 1xs1 h LEU 65 N 0.26 0.05 -2.06 0.00 3.38 -0.72 0.12 115.31 116.34 1xs1 h LEU 65 Ca 0.25 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1xs1 h LEU 65 Cb 0.33 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xs1 h LEU 65 CO -0.32 0.06 -0.03 0.44 0.09 0.00 0.00 178.44 178.69 1xs1 h ASP 66 N 0.23 0.00 0.08 -0.43 3.32 -0.82 -2.38 116.42 116.41 1xs1 h ASP 66 Ca 0.19 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.04 1xs1 h ASP 66 Cb 0.21 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.78 1xs1 h ASP 66 CO -0.23 0.03 -0.81 0.03 -1.72 0.00 0.00 179.24 176.54 1xs1 h ARG 67 N 0.00 0.41 0.00 3.56 3.08 0.97 -3.37 114.38 119.03 1xs1 h ARG 67 Ca -0.00 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.50 1xs1 h ARG 67 Cb 0.31 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1xs1 h ARG 67 CO 0.00 1.21 -0.68 -0.39 -1.07 0.00 0.00 179.97 179.04 1xs1 h VAL 68 N -0.13 0.00 -3.34 2.04 -1.51 -1.03 -3.44 116.25 108.84 1xs1 h VAL 68 Ca -0.12 -0.82 -0.56 0.00 -1.23 0.00 0.00 66.70 63.97 1xs1 h VAL 68 Cb 1.56 1.44 -0.05 0.00 -2.13 0.00 0.00 31.29 32.10 1xs1 h VAL 68 CO 0.16 0.00 0.03 -0.04 -1.23 0.00 0.00 177.57 176.49 1xs1 s MET 69 N -3.27 4.38 0.73 5.19 -1.94 -0.91 0.19 119.30 123.68 1xs1 s MET 69 Ca 0.03 0.80 -0.13 0.00 -1.71 0.00 0.00 55.69 54.69 1xs1 s MET 69 Cb 0.10 -3.39 0.04 0.00 2.01 0.00 0.00 34.83 33.59 1xs1 s MET 69 CO 0.74 0.24 1.12 -1.54 -0.01 0.00 0.00 175.02 175.57 1xs1 s SER 70 N 0.22 4.56 1.02 3.03 1.04 -0.02 -4.90 113.70 118.65 1xs1 s SER 70 Ca 0.34 2.00 -0.11 0.00 0.48 0.00 0.00 55.95 58.65 1xs1 s SER 70 Cb -0.18 -2.55 0.21 0.00 0.10 0.00 0.00 66.02 63.60 1xs1 s SER 70 CO 0.18 -2.00 1.09 -1.81 0.98 0.00 0.00 173.24 171.68 1xs1 s ASP 71 N -2.82 2.06 0.10 7.02 1.01 -1.26 -4.75 116.67 118.03 1xs1 s ASP 71 Ca 0.66 1.88 -0.31 0.00 0.71 0.00 0.00 52.55 55.49 1xs1 s ASP 71 Cb -0.21 -2.45 -0.08 0.00 1.01 0.00 0.00 42.92 41.20 1xs1 s ASP 71 CO 0.49 -3.59 1.40 -0.70 0.21 0.00 0.00 175.17 172.98 1xs1 s GLU 72 N -4.57 4.31 -0.27 8.23 2.12 -1.26 -4.74 118.70 122.52 1xs1 s GLU 72 Ca 0.67 2.07 -0.20 0.00 0.36 0.00 0.00 54.97 57.88 1xs1 s GLU 72 Cb -0.24 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 1xs1 s GLU 72 CO 0.61 -0.47 0.60 0.42 -0.54 0.00 0.00 175.26 175.88 1xs1 s ILE 73 N 1.35 4.99 -0.22 -3.70 1.01 0.77 -4.89 121.20 120.50 1xs1 s ILE 73 Ca 0.65 1.00 -0.03 0.00 0.00 0.00 0.00 60.65 62.27 1xs1 s ILE 73 Cb -0.36 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.18 1xs1 s ILE 73 CO 0.30 -0.01 -0.07 -0.69 0.00 0.00 0.00 174.94 174.48 1xs1 s VAL 74 N 2.49 3.09 0.13 2.92 1.01 -1.26 -1.15 120.40 127.63 1xs1 s VAL 74 Ca 0.25 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1xs1 s VAL 74 Cb -0.15 -2.43 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 1xs1 s VAL 74 CO 0.09 0.39 1.17 -0.76 0.00 0.00 0.00 175.10 175.99 1xs1 s LEU 75 N 1.42 4.43 0.02 3.92 1.43 -1.26 -4.98 118.68 123.65 1xs1 s LEU 75 Ca 0.05 2.10 -0.30 0.00 -1.03 0.00 0.00 54.13 54.95 1xs1 s LEU 75 Cb -0.15 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 1xs1 s LEU 75 CO -0.05 -0.37 1.22 -1.81 0.23 0.00 0.00 176.35 175.57 1xs1 s ASP 76 N 0.44 7.05 -0.31 2.29 1.01 -1.26 -4.86 116.67 121.02 1xs1 s ASP 76 Ca 0.54 1.96 -0.44 0.00 0.71 0.00 0.00 52.55 55.32 1xs1 s ASP 76 Cb -0.30 -2.57 -0.20 0.00 1.01 0.00 0.00 42.92 40.86 1xs1 s ASP 76 CO 0.33 -0.53 1.43 1.21 0.21 0.00 0.00 175.17 177.82 1xs1 n GLU 77 N 4.49 0.09 0.00 8.23 2.13 -1.26 0.59 120.64 134.91 1xs1 n GLU 77 Ca 0.10 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1xs1 n GLU 77 Cb 0.46 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.62 1xs1 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xs1 n GLY 78 N 3.17 2.74 3.68 8.31 0.00 -1.26 -5.07 105.19 116.74 1xs1 n GLY 78 Ca 0.27 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 1xs1 n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xs1 n GLU 79 N 0.00 1.07 -4.24 1.61 1.02 0.20 -5.04 120.64 115.26 1xs1 n GLU 79 Ca 0.00 0.42 -0.23 0.00 -0.02 0.00 0.00 57.16 57.33 1xs1 n GLU 79 Cb 0.00 -2.36 -0.06 0.00 -0.02 0.00 0.00 31.44 28.99 1xs1 n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xs1 s ALA 80 N -1.43 3.28 -0.27 0.62 0.00 -1.26 -4.68 121.76 118.01 1xs1 s ALA 80 Ca 0.78 -1.57 -0.09 0.00 0.00 0.00 0.00 51.96 51.09 1xs1 s ALA 80 Cb -0.40 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 1xs1 s ALA 80 CO 0.44 0.28 0.11 0.12 0.00 0.00 0.00 175.76 176.72 1xs1 s PHE 81 N -2.22 3.14 -0.43 0.00 5.36 0.94 -4.91 117.98 119.84 1xs1 s PHE 81 Ca 0.31 -0.40 -0.20 0.00 -0.96 0.00 0.00 56.93 55.69 1xs1 s PHE 81 Cb -0.07 -2.30 0.02 0.00 -0.34 0.00 0.00 43.02 40.34 1xs1 s PHE 81 CO 0.21 -0.36 0.58 0.71 -1.46 0.00 0.00 175.22 174.89 1xs1 s TYR 82 N 1.63 3.10 -0.50 10.12 1.51 -1.26 -0.30 117.35 131.65 1xs1 s TYR 82 Ca 0.06 -0.14 -0.19 0.00 -1.01 0.00 0.00 57.07 55.79 1xs1 s TYR 82 Cb -0.16 -3.19 0.06 0.00 -0.11 0.00 0.00 41.96 38.56 1xs1 s TYR 82 CO 0.06 -0.80 0.61 -1.17 -1.11 0.00 0.00 175.55 173.13 1xs1 s LEU 83 N 2.60 4.99 0.28 -1.29 2.96 -0.45 -4.92 118.68 122.85 1xs1 s LEU 83 Ca 0.19 -0.93 -0.19 0.00 -0.22 0.00 0.00 54.13 52.99 1xs1 s LEU 83 Cb -0.15 -2.44 -0.09 0.00 0.50 0.00 0.00 46.19 44.01 1xs1 s LEU 83 CO 0.17 -0.88 0.77 -1.00 -1.32 0.00 0.00 176.35 174.09 1xs1 s HIS 84 N 2.58 3.54 0.04 5.38 3.76 -1.26 -1.00 115.29 128.33 1xs1 s HIS 84 Ca 0.15 1.40 -0.38 0.00 -0.15 0.00 0.00 55.06 56.07 1xs1 s HIS 84 Cb -0.19 -2.64 -0.18 0.00 1.11 0.00 0.00 32.58 30.67 1xs1 s HIS 84 CO 0.12 0.21 1.25 -2.30 -0.85 0.00 0.00 174.74 173.17 1xs1 n PRO 85 N 0.27 0.69 -0.17 8.40 -0.02 -1.26 -1.93 135.00 140.97 1xs1 n PRO 85 Ca 0.01 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1xs1 n PRO 85 Cb 0.52 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1xs1 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs1 n GLY 86 N 2.18 0.61 2.90 -1.23 0.00 -0.76 -4.99 105.19 103.91 1xs1 n GLY 86 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1xs1 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xs1 s GLU 87 N -0.79 1.91 0.27 1.61 0.41 -0.81 -4.99 118.70 116.31 1xs1 s GLU 87 Ca 0.00 -2.60 -0.30 0.00 -0.41 0.00 0.00 54.97 51.66 1xs1 s GLU 87 Cb 0.00 -3.15 -0.14 0.00 -1.78 0.00 0.00 34.13 29.06 1xs1 s GLU 87 CO 0.00 -1.14 1.18 -0.11 -0.49 0.00 0.00 175.26 174.70 1xs1 n LEU 88 N 3.04 2.38 -3.89 1.80 7.94 -1.26 -4.60 117.00 122.43 1xs1 n LEU 88 Ca 0.08 1.17 -0.11 0.00 -1.11 0.00 0.00 56.01 56.04 1xs1 n LEU 88 Cb 0.33 -1.34 -0.10 0.00 0.53 0.00 0.00 43.42 42.84 1xs1 n LEU 88 CO 0.31 -1.00 -0.20 0.00 -1.11 0.00 0.00 177.39 175.40 1xs1 s ALA 89 N -0.67 -0.26 0.06 1.96 0.00 0.34 -4.69 121.76 118.50 1xs1 s ALA 89 Ca 0.63 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.29 1xs1 s ALA 89 Cb -0.69 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1xs1 s ALA 89 CO 0.57 -0.21 0.35 -0.51 0.00 0.00 0.00 175.76 175.96 1xs1 s LEU 90 N -1.45 4.35 0.00 0.00 1.43 -0.36 0.35 118.68 123.00 1xs1 s LEU 90 Ca -0.14 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1xs1 s LEU 90 Cb -0.08 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.23 1xs1 s LEU 90 CO 0.01 0.19 0.00 0.00 0.23 0.00 0.00 176.35 176.78 1xs1 n ALA 91 N 0.90 0.00 -3.32 4.21 0.00 -0.30 -1.16 120.51 120.84 1xs1 n ALA 91 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 1xs1 n ALA 91 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1xs1 n ALA 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xs1 s VAL 92 N -1.79 0.04 0.58 0.00 0.11 -1.25 -0.96 120.40 117.14 1xs1 s VAL 92 Ca 0.00 -0.32 -0.15 0.00 -2.93 0.00 0.00 61.98 58.58 1xs1 s VAL 92 Cb 0.00 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1xs1 s VAL 92 CO 0.00 -0.18 1.03 0.42 -3.33 0.00 0.00 175.10 173.04 1xs1 s THR 93 N -1.40 4.18 0.11 5.04 -4.23 0.05 -0.19 115.64 119.20 1xs1 s THR 93 Ca -0.12 0.95 -0.21 0.00 -1.18 0.00 0.00 61.69 61.13 1xs1 s THR 93 Cb -0.03 -3.55 -0.09 0.00 1.34 0.00 0.00 72.50 70.17 1xs1 s THR 93 CO 0.05 -0.68 1.72 0.25 -0.54 0.00 0.00 174.62 175.42 1xs1 h LEU 94 N 0.36 -0.07 -9.90 4.79 5.85 -0.31 -3.38 115.31 112.64 1xs1 h LEU 94 Ca -0.46 0.03 -0.51 0.00 0.84 0.00 0.00 57.88 57.78 1xs1 h LEU 94 Cb 1.20 0.06 0.04 0.00 0.37 0.00 0.00 40.66 42.33 1xs1 h LEU 94 CO 0.59 -0.02 0.51 -1.61 -0.34 0.00 0.00 178.44 177.57 1xs1 s GLU 95 N -6.20 4.24 0.14 1.25 8.01 -1.26 -4.79 118.70 120.10 1xs1 s GLU 95 Ca -0.13 1.85 -0.13 0.00 0.01 0.00 0.00 54.97 56.57 1xs1 s GLU 95 Cb 0.08 -2.84 -0.07 0.00 -4.31 0.00 0.00 34.13 27.00 1xs1 s GLU 95 CO 0.67 -0.16 0.52 0.45 0.01 0.00 0.00 175.26 176.75 1xs1 s SER 96 N -1.03 6.77 -0.02 -0.19 0.15 -0.11 -4.12 113.70 115.15 1xs1 s SER 96 Ca 0.53 1.01 0.03 0.00 0.70 0.00 0.00 55.95 58.22 1xs1 s SER 96 Cb -0.31 -2.26 -0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1xs1 s SER 96 CO 0.40 0.10 -0.11 -0.69 1.20 0.00 0.00 173.24 174.14 1xs1 s VAL 97 N -1.48 0.96 -0.10 4.45 1.01 -1.11 -0.27 120.40 123.85 1xs1 s VAL 97 Ca 0.37 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1xs1 s VAL 97 Cb -0.14 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.43 1xs1 s VAL 97 CO 0.19 0.28 -0.12 -0.89 0.00 0.00 0.00 175.10 174.56 1xs1 s THR 98 N 0.01 1.29 -0.04 3.92 2.01 -0.67 -0.69 115.64 121.47 1xs1 s THR 98 Ca -0.01 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 61.54 1xs1 s THR 98 Cb -0.08 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 1xs1 s THR 98 CO 0.00 0.40 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.38 1xs1 s LEU 99 N 1.18 2.43 1.15 4.42 1.43 0.84 -2.04 118.68 128.08 1xs1 s LEU 99 Ca -0.04 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 52.54 1xs1 s LEU 99 Cb -0.14 -1.46 0.27 0.00 0.03 0.00 0.00 46.19 44.89 1xs1 s LEU 99 CO -0.03 0.32 1.19 -2.16 0.23 0.00 0.00 176.35 175.89 1xs1 s PRO 100 N -0.60 -0.86 0.07 1.29 0.04 -1.26 -0.16 135.00 133.53 1xs1 s PRO 100 Ca 0.09 -0.26 0.24 0.00 0.04 0.00 0.00 61.00 61.11 1xs1 s PRO 100 Cb -0.11 -1.66 0.96 0.00 0.04 0.00 0.00 34.50 33.73 1xs1 s PRO 100 CO 0.00 -3.44 1.75 0.00 0.04 0.00 0.00 177.00 175.35 1xs1 n ALA 101 N -4.52 2.05 -1.39 8.56 0.00 -1.26 -2.10 120.51 121.85 1xs1 n ALA 101 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 1xs1 n ALA 101 Cb 0.60 -1.40 0.20 0.00 0.00 0.00 0.00 19.45 18.86 1xs1 n ALA 101 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xs1 n ASP 102 N -1.73 2.69 -3.78 0.00 5.75 -1.26 -1.15 116.55 117.07 1xs1 n ASP 102 Ca 0.05 -3.69 -0.13 0.00 -0.01 0.00 0.00 54.79 51.02 1xs1 n ASP 102 Cb 0.30 -0.64 -0.12 0.00 -1.03 0.00 0.00 41.12 39.63 1xs1 n ASP 102 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1xs1 s LEU 103 N -3.21 0.99 -0.01 -2.12 2.96 -1.21 -1.34 118.68 114.74 1xs1 s LEU 103 Ca 0.45 0.49 0.06 0.00 -0.22 0.00 0.00 54.13 54.91 1xs1 s LEU 103 Cb 0.40 0.81 -0.03 0.00 0.50 0.00 0.00 46.19 47.88 1xs1 s LEU 103 CO 0.01 -0.09 -0.19 0.54 -1.32 0.00 0.00 176.35 175.30 1xs1 s VAL 104 N 0.28 2.67 0.19 1.68 0.11 -0.44 -3.06 120.40 121.84 1xs1 s VAL 104 Ca -0.01 -0.99 0.08 0.00 -2.93 0.00 0.00 61.98 58.13 1xs1 s VAL 104 Cb -0.03 -2.04 -0.04 0.00 -1.53 0.00 0.00 36.38 32.74 1xs1 s VAL 104 CO -0.01 0.51 -0.05 -0.83 -3.33 0.00 0.00 175.10 171.39 1xs1 s GLY 105 N -0.93 1.72 -0.03 6.54 0.00 0.84 -1.01 107.32 114.45 1xs1 s GLY 105 Ca 0.12 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1xs1 s GLY 105 CO 0.02 -1.49 0.00 -0.98 0.00 0.00 0.00 173.10 170.65 1xs1 s TRP 106 N -1.80 0.33 -0.06 1.90 0.52 -0.42 0.29 118.94 119.70 1xs1 s TRP 106 Ca 0.27 0.00 -0.18 0.00 0.02 0.00 0.00 56.10 56.21 1xs1 s TRP 106 Cb -0.09 -0.45 -0.05 0.00 -1.15 0.00 0.00 33.47 31.73 1xs1 s TRP 106 CO 0.17 -0.15 0.48 -1.17 0.02 0.00 0.00 176.95 176.30 1xs1 s LEU 107 N 1.18 4.36 0.22 2.99 2.96 0.11 -2.62 118.68 127.88 1xs1 s LEU 107 Ca -0.08 0.92 0.10 0.00 -0.22 0.00 0.00 54.13 54.85 1xs1 s LEU 107 Cb -0.13 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 1xs1 s LEU 107 CO -0.02 0.11 -0.10 -1.81 -1.32 0.00 0.00 176.35 173.21 1xs1 s ASP 108 N 0.00 4.16 0.00 3.68 1.01 0.20 -4.86 116.67 120.87 1xs1 s ASP 108 Ca 0.26 -0.68 0.00 0.00 0.71 0.00 0.00 52.55 52.84 1xs1 s ASP 108 Cb -0.16 -0.65 0.00 0.00 1.01 0.00 0.00 42.92 43.12 1xs1 s ASP 108 CO 0.12 0.07 0.00 0.61 0.21 0.00 0.00 175.17 176.18 1xs1 n GLY 109 N -0.26 1.11 3.00 0.21 0.00 -1.26 -1.08 105.19 106.91 1xs1 n GLY 109 Ca -0.09 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 1xs1 n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xs1 s ARG 110 N 2.19 0.16 0.50 1.61 0.52 -1.26 -3.59 118.95 119.08 1xs1 s ARG 110 Ca 0.00 0.31 0.21 0.00 -0.52 0.00 0.00 55.73 55.73 1xs1 s ARG 110 Cb 0.00 -0.02 1.28 0.00 0.52 0.00 0.00 34.95 36.72 1xs1 s ARG 110 CO 0.00 -0.09 1.99 1.03 0.02 0.00 0.00 175.30 178.25 1xs1 h SER 111 N 6.50 0.12 0.48 0.23 0.87 -1.99 0.15 113.55 119.91 1xs1 h SER 111 Ca -0.33 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.15 1xs1 h SER 111 Cb 1.17 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 1xs1 h SER 111 CO 0.41 0.07 -0.43 0.28 -0.53 0.00 0.00 176.83 176.63 1xs1 h SER 112 N 0.13 0.00 0.13 6.23 0.02 -1.99 -2.07 113.55 116.00 1xs1 h SER 112 Ca 0.26 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.97 1xs1 h SER 112 Cb 0.87 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.41 1xs1 h SER 112 CO -0.03 0.43 -1.22 -0.07 -1.14 0.00 0.00 176.83 174.80 1xs1 h LEU 113 N 0.00 0.42 -1.48 5.07 3.38 -1.42 -3.34 115.31 117.94 1xs1 h LEU 113 Ca -0.00 -0.88 0.07 0.00 0.09 0.00 0.00 57.88 57.16 1xs1 h LEU 113 Cb 0.78 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1xs1 h LEU 113 CO 0.06 1.55 0.44 0.00 0.09 0.00 0.00 178.44 180.57 1xs1 h ALA 114 N -0.00 1.81 0.00 1.53 0.00 -0.60 -0.99 119.26 121.02 1xs1 h ALA 114 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xs1 h ALA 114 Cb 1.73 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1xs1 h ALA 114 CO 0.09 0.07 0.00 0.54 0.00 0.00 0.00 179.25 179.95 1xs1 n ARG 115 N -4.48 0.82 -0.12 0.00 1.74 -0.80 -1.50 116.66 112.33 1xs1 n ARG 115 Ca 0.10 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.22 1xs1 n ARG 115 Cb 0.27 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.31 1xs1 n ARG 115 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xs1 n LEU 116 N -1.03 2.56 -0.06 0.55 4.77 -0.43 -5.01 117.00 118.35 1xs1 n LEU 116 Ca 0.20 -2.20 -0.01 0.00 -0.03 0.00 0.00 56.01 53.97 1xs1 n LEU 116 Cb 0.11 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1xs1 n LEU 116 CO 0.16 0.62 -0.01 0.61 -1.33 0.00 0.00 177.39 177.45 1xs1 n GLY 117 N -0.20 0.48 3.56 -0.72 0.00 -0.56 -4.22 105.19 103.53 1xs1 n GLY 117 Ca 0.08 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1xs1 n GLY 117 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xs1 s LEU 118 N -0.19 4.18 0.19 0.99 2.96 -0.87 0.76 118.68 126.71 1xs1 s LEU 118 Ca 0.00 0.03 -0.25 0.00 -0.22 0.00 0.00 54.13 53.69 1xs1 s LEU 118 Cb 0.00 -3.02 -0.08 0.00 0.50 0.00 0.00 46.19 43.59 1xs1 s LEU 118 CO 0.00 -0.90 0.80 -0.04 -1.32 0.00 0.00 176.35 174.89 1xs1 s MET 119 N 3.33 4.56 0.00 1.98 -1.94 -0.25 -4.10 119.30 122.88 1xs1 s MET 119 Ca 0.31 1.17 0.13 0.00 -1.71 0.00 0.00 55.69 55.59 1xs1 s MET 119 Cb -0.12 -3.18 -0.14 0.00 2.01 0.00 0.00 34.83 33.40 1xs1 s MET 119 CO 0.22 0.52 0.54 1.33 -0.01 0.00 0.00 175.02 177.63 1xs1 n VAL 120 N 1.39 0.00 -3.77 -6.03 0.24 -1.25 -1.97 118.33 106.94 1xs1 n VAL 120 Ca -0.04 -0.20 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 1xs1 n VAL 120 Cb 0.49 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 1xs1 n VAL 120 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1xs1 s HIS 121 N -2.19 -0.05 -0.72 6.34 -3.43 -1.03 -1.05 115.29 113.15 1xs1 s HIS 121 Ca 0.05 -0.17 -0.02 0.00 -0.80 0.00 0.00 55.06 54.12 1xs1 s HIS 121 Cb 0.10 0.07 0.18 0.00 -1.43 0.00 0.00 32.58 31.50 1xs1 s HIS 121 CO 0.52 -0.53 0.56 0.08 -2.00 0.00 0.00 174.74 173.36 1xs1 s VAL 122 N -2.97 3.82 -1.43 -5.38 1.01 -1.26 -4.79 120.40 109.39 1xs1 s VAL 122 Ca -0.02 -3.41 -0.06 0.00 0.00 0.00 0.00 61.98 58.48 1xs1 s VAL 122 Cb 0.01 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1xs1 s VAL 122 CO -0.06 -0.96 0.16 0.35 0.00 0.00 0.00 175.10 174.59 1xs1 n THR 123 N 2.93 -0.61 -3.24 3.92 -2.24 -1.26 -4.90 114.28 108.88 1xs1 n THR 123 Ca 0.14 -0.30 -0.06 0.00 -2.27 0.00 0.00 64.05 61.55 1xs1 n THR 123 Cb 0.37 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.83 1xs1 n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs1 s ALA 124 N -3.83 -1.56 -0.04 6.98 0.00 -1.26 -5.01 121.76 117.03 1xs1 s ALA 124 Ca 0.22 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.90 1xs1 s ALA 124 Cb -0.13 -2.47 0.09 0.00 0.00 0.00 0.00 23.12 20.62 1xs1 s ALA 124 CO 0.88 -2.19 0.97 -2.39 0.00 0.00 0.00 175.76 173.02 1xs1 n HIS 125 N 4.20 0.00 -3.32 0.00 -0.00 -1.26 -4.92 115.22 109.93 1xs1 n HIS 125 Ca 0.12 -0.51 -0.38 0.00 -0.00 0.00 0.00 57.72 56.94 1xs1 n HIS 125 Cb 0.52 -0.07 -0.07 0.00 -0.00 0.00 0.00 29.99 30.37 1xs1 n HIS 125 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1xs1 s ARG 126 N -1.30 4.22 -0.39 -1.40 3.52 -1.26 -0.71 118.95 121.63 1xs1 s ARG 126 Ca 0.10 0.34 -0.09 0.00 -0.13 0.00 0.00 55.73 55.95 1xs1 s ARG 126 Cb 0.09 -3.52 0.05 0.00 -1.56 0.00 0.00 34.95 30.01 1xs1 s ARG 126 CO 0.01 -0.03 0.21 0.42 -0.81 0.00 0.00 175.30 175.11 1xs1 s ILE 127 N 1.25 4.25 0.56 4.11 -1.09 0.15 -4.98 121.20 125.43 1xs1 s ILE 127 Ca 0.23 -1.18 -0.16 0.00 -2.23 0.00 0.00 60.65 57.31 1xs1 s ILE 127 Cb -0.15 -3.49 -0.06 0.00 -1.58 0.00 0.00 42.46 37.18 1xs1 s ILE 127 CO 0.09 -0.36 1.02 -1.81 -1.23 0.00 0.00 174.94 172.65 1xs1 s ASP 128 N 1.79 6.25 0.13 3.58 1.01 -1.26 -0.11 116.67 128.06 1xs1 s ASP 128 Ca 0.02 1.65 -0.34 0.00 0.71 0.00 0.00 52.55 54.59 1xs1 s ASP 128 Cb -0.21 -2.51 -0.16 0.00 1.01 0.00 0.00 42.92 41.04 1xs1 s ASP 128 CO 0.04 -0.85 1.23 -0.81 0.21 0.00 0.00 175.17 174.99 1xs1 n PRO 129 N -1.87 1.13 -0.18 8.23 -0.04 -1.17 -0.88 135.00 140.23 1xs1 n PRO 129 Ca 0.07 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1xs1 n PRO 129 Cb 0.54 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 1xs1 n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xs1 n GLY 130 N 2.21 1.80 3.67 0.55 0.00 0.77 -0.57 105.19 113.63 1xs1 n GLY 130 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1xs1 n GLY 130 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1xs1 n TRP 131 N -2.00 1.90 -3.44 1.61 -0.00 -0.05 -3.73 117.44 111.72 1xs1 n TRP 131 Ca 0.00 0.56 -0.11 0.00 -0.00 0.00 0.00 57.50 57.94 1xs1 n TRP 131 Cb 0.00 -2.35 -0.10 0.00 -0.00 0.00 0.00 31.31 28.87 1xs1 n TRP 131 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1xs1 s SER 132 N -0.49 0.43 0.00 5.87 0.15 -1.24 -0.11 113.70 118.30 1xs1 s SER 132 Ca 0.59 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1xs1 s SER 132 Cb -0.56 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1xs1 s SER 132 CO 0.60 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1xs1 n GLY 133 N 5.36 3.70 3.75 9.45 0.00 0.13 -3.87 105.19 123.71 1xs1 n GLY 133 Ca -0.05 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 1xs1 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs1 s ILE 135 N -1.34 5.19 0.35 0.00 1.01 -1.26 -4.76 121.20 120.39 1xs1 s ILE 135 Ca 0.70 0.56 -0.26 0.00 0.00 0.00 0.00 60.65 61.66 1xs1 s ILE 135 Cb -0.39 -3.69 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 1xs1 s ILE 135 CO 0.46 0.19 1.02 -0.69 0.00 0.00 0.00 174.94 175.92 1xs1 s VAL 136 N 1.86 3.85 0.15 2.92 1.01 -1.26 -0.77 120.40 128.15 1xs1 s VAL 136 Ca 0.15 1.54 0.09 0.00 0.00 0.00 0.00 61.98 63.76 1xs1 s VAL 136 Cb -0.15 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1xs1 s VAL 136 CO 0.09 0.13 -0.15 -0.76 0.00 0.00 0.00 175.10 174.42 1xs1 s LEU 137 N -2.19 2.81 -0.34 3.92 1.43 -0.13 -4.90 118.68 119.28 1xs1 s LEU 137 Ca 0.52 -0.59 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1xs1 s LEU 137 Cb -0.23 -1.57 0.10 0.00 0.03 0.00 0.00 46.19 44.52 1xs1 s LEU 137 CO 0.29 0.14 0.05 -1.61 0.23 0.00 0.00 176.35 175.45 1xs1 s GLU 138 N -2.48 1.55 -0.08 1.70 8.01 -0.22 -1.14 118.70 126.04 1xs1 s GLU 138 Ca 0.21 -1.84 -0.27 0.00 0.01 0.00 0.00 54.97 53.09 1xs1 s GLU 138 Cb -0.10 -3.20 -0.03 0.00 -4.31 0.00 0.00 34.13 26.50 1xs1 s GLU 138 CO 0.12 -0.92 0.86 -0.06 0.01 0.00 0.00 175.26 175.27 1xs1 s PHE 139 N 0.92 3.55 -0.08 1.61 2.99 0.16 -2.47 117.98 124.66 1xs1 s PHE 139 Ca 0.10 1.42 -0.00 0.00 0.00 0.00 0.00 56.93 58.45 1xs1 s PHE 139 Cb -0.19 -3.00 0.02 0.00 0.00 0.00 0.00 43.02 39.85 1xs1 s PHE 139 CO -0.08 -0.07 -0.04 -0.47 -0.00 0.00 0.00 175.22 174.56 1xs1 s TYR 140 N 1.40 0.96 -0.48 0.36 5.04 -0.83 -0.51 117.35 123.29 1xs1 s TYR 140 Ca 0.43 -0.36 -0.23 0.00 -2.44 0.00 0.00 57.07 54.47 1xs1 s TYR 140 Cb -0.18 -0.90 0.03 0.00 0.35 0.00 0.00 41.96 41.26 1xs1 s TYR 140 CO 0.19 -0.34 0.83 1.21 -1.34 0.00 0.00 175.55 176.10 1xs1 s ASN 141 N 1.56 6.39 0.00 4.32 3.84 -1.26 -1.09 114.94 128.70 1xs1 s ASN 141 Ca -0.00 -0.20 0.19 0.00 0.21 0.00 0.00 52.86 53.05 1xs1 s ASN 141 Cb -0.13 -2.40 0.54 0.00 -0.55 0.00 0.00 41.25 38.71 1xs1 s ASN 141 CO -0.04 -1.01 1.43 -1.54 -2.79 0.00 0.00 177.10 173.15 1xs1 n SER 142 N 6.91 2.41 0.00 -4.21 3.41 0.23 -1.82 113.62 120.55 1xs1 n SER 142 Ca 0.02 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1xs1 n SER 142 Cb 0.48 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1xs1 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs1 n GLY 143 N 1.26 3.16 0.02 5.00 0.00 -1.25 -4.87 105.19 108.51 1xs1 n GLY 143 Ca 0.17 -1.95 0.01 0.00 0.00 0.00 0.00 46.02 44.24 1xs1 n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xs1 n LYS 144 N 0.00 4.42 -4.51 1.61 4.76 -1.26 -4.63 118.16 118.55 1xs1 n LYS 144 Ca 0.00 -0.17 -0.22 0.00 -2.87 0.00 0.00 58.31 55.05 1xs1 n LYS 144 Cb 0.00 -0.71 -0.14 0.00 -1.84 0.00 0.00 35.03 32.33 1xs1 n LYS 144 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xs1 s LEU 145 N -1.56 2.11 0.45 -0.35 1.02 -1.26 -4.98 118.68 114.10 1xs1 s LEU 145 Ca 0.01 -0.38 -0.25 0.00 0.02 0.00 0.00 54.13 53.53 1xs1 s LEU 145 Cb 0.02 -0.69 -0.09 0.00 0.02 0.00 0.00 46.19 45.45 1xs1 s LEU 145 CO 0.06 0.10 1.37 -2.65 0.02 0.00 0.00 176.35 175.26 1xs1 n PRO 146 N 2.24 2.11 -4.67 1.29 -0.02 -1.26 -4.53 135.00 130.16 1xs1 n PRO 146 Ca -0.16 0.75 -0.30 0.00 -2.02 0.00 0.00 63.50 61.77 1xs1 n PRO 146 Cb 0.55 -2.54 -0.17 0.00 -0.02 0.00 0.00 33.50 31.32 1xs1 n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs1 s LEU 147 N -2.38 1.90 -0.18 2.45 1.43 -0.17 -4.96 118.68 116.76 1xs1 s LEU 147 Ca 0.62 -0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 52.97 1xs1 s LEU 147 Cb -0.47 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1xs1 s LEU 147 CO 0.57 0.06 0.86 0.00 0.23 0.00 0.00 176.35 178.07 1xs1 s ALA 148 N 0.79 3.55 -0.22 4.21 0.00 -1.26 -1.34 121.76 127.49 1xs1 s ALA 148 Ca -0.10 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 1xs1 s ALA 148 Cb -0.16 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1xs1 s ALA 148 CO 0.01 -0.73 0.04 -0.51 0.00 0.00 0.00 175.76 174.56 1xs1 s LEU 149 N 2.36 3.41 0.10 0.00 1.43 0.59 -4.91 118.68 121.65 1xs1 s LEU 149 Ca 0.39 -0.17 0.10 0.00 -1.03 0.00 0.00 54.13 53.42 1xs1 s LEU 149 Cb -0.16 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1xs1 s LEU 149 CO 0.11 0.04 -0.26 -0.13 0.23 0.00 0.00 176.35 176.34 1xs1 s ARG 150 N 1.16 1.49 0.38 1.70 0.52 -1.26 -0.04 118.95 122.89 1xs1 s ARG 150 Ca 0.04 -1.25 -0.26 0.00 -0.52 0.00 0.00 55.73 53.73 1xs1 s ARG 150 Cb -0.14 -1.86 -0.11 0.00 0.52 0.00 0.00 34.95 33.35 1xs1 s ARG 150 CO 0.02 0.45 1.17 -2.30 0.02 0.00 0.00 175.30 174.67 1xs1 n PRO 151 N 1.20 1.74 -0.02 3.54 -0.02 -1.26 -2.58 135.00 137.61 1xs1 n PRO 151 Ca -0.18 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1xs1 n PRO 151 Cb 0.53 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1xs1 n PRO 151 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs1 n GLY 152 N 0.96 1.12 3.78 -1.23 0.00 0.49 -4.94 105.19 105.36 1xs1 n GLY 152 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1xs1 n GLY 152 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xs1 s MET 153 N -0.62 3.78 -0.03 1.61 0.23 -1.06 -4.61 119.30 118.59 1xs1 s MET 153 Ca 0.00 1.55 -0.30 0.00 -1.03 0.00 0.00 55.69 55.92 1xs1 s MET 153 Cb 0.00 -2.26 -0.07 0.00 -1.53 0.00 0.00 34.83 30.97 1xs1 s MET 153 CO 0.00 -0.48 1.82 -0.51 -2.03 0.00 0.00 175.02 173.82 1xs1 s LEU 154 N -3.23 4.29 0.00 0.18 1.43 -1.26 0.18 118.68 120.27 1xs1 s LEU 154 Ca 0.65 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 1xs1 s LEU 154 Cb -0.22 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1xs1 s LEU 154 CO 0.27 -1.06 0.00 0.00 0.23 0.00 0.00 176.35 175.78 1xs1 n ILE 155 N 5.70 0.00 -3.96 -0.59 0.13 -0.19 -4.89 119.36 115.56 1xs1 n ILE 155 Ca 0.19 -0.37 0.01 0.00 -1.10 0.00 0.00 62.75 61.48 1xs1 n ILE 155 Cb 0.42 0.90 0.00 0.00 -0.84 0.00 0.00 39.64 40.13 1xs1 n ILE 155 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1xs1 n GLY 156 N 1.15 0.41 3.10 4.50 0.00 -1.13 -4.41 105.19 108.81 1xs1 n GLY 156 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 1xs1 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs1 s ALA 157 N -1.20 -0.25 -0.02 4.61 0.00 -0.24 -0.95 121.76 123.69 1xs1 s ALA 157 Ca 0.06 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.83 1xs1 s ALA 157 Cb -0.00 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1xs1 s ALA 157 CO -0.00 -0.23 -0.16 -0.51 0.00 0.00 0.00 175.76 174.86 1xs1 s LEU 158 N -1.53 2.65 0.11 0.00 1.43 -0.04 0.60 118.68 121.90 1xs1 s LEU 158 Ca -0.13 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 1xs1 s LEU 158 Cb -0.07 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1xs1 s LEU 158 CO 0.00 0.32 -0.16 -0.94 0.23 0.00 0.00 176.35 175.80 1xs1 s SER 159 N -0.90 2.18 -0.02 2.29 1.04 -1.08 -1.46 113.70 115.76 1xs1 s SER 159 Ca 0.12 -0.74 0.04 0.00 0.48 0.00 0.00 55.95 55.85 1xs1 s SER 159 Cb -0.11 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.91 1xs1 s SER 159 CO 0.02 -0.06 -0.14 -0.36 0.98 0.00 0.00 173.24 173.68 1xs1 s PHE 160 N -1.68 1.30 -0.16 5.02 0.40 -1.26 -1.30 117.98 120.29 1xs1 s PHE 160 Ca 0.07 -0.28 -0.03 0.00 -0.60 0.00 0.00 56.93 56.09 1xs1 s PHE 160 Cb -0.07 -0.86 0.05 0.00 0.51 0.00 0.00 43.02 42.65 1xs1 s PHE 160 CO 0.04 -0.06 0.04 -2.00 0.70 0.00 0.00 175.22 173.94 1xs1 s GLU 161 N -0.20 0.51 0.60 0.44 2.12 -0.18 -1.46 118.70 120.52 1xs1 s GLU 161 Ca 0.03 -0.24 -0.19 0.00 0.36 0.00 0.00 54.97 54.93 1xs1 s GLU 161 Cb -0.07 -1.82 -0.03 0.00 0.26 0.00 0.00 34.13 32.47 1xs1 s GLU 161 CO 0.00 -0.58 1.24 -2.14 -0.54 0.00 0.00 175.26 173.24 1xs1 s PRO 162 N 1.94 2.90 0.51 4.30 0.02 -1.26 -1.32 135.00 142.09 1xs1 s PRO 162 Ca 0.01 1.93 0.02 0.00 0.02 0.00 0.00 61.00 62.97 1xs1 s PRO 162 Cb -0.16 -1.95 0.02 0.00 0.02 0.00 0.00 34.50 32.43 1xs1 s PRO 162 CO -0.08 -1.29 0.73 -0.51 -0.33 0.00 0.00 177.00 175.52 1xs1 s LEU 163 N -4.07 3.41 0.65 -5.54 1.43 -0.45 -4.86 118.68 109.24 1xs1 s LEU 163 Ca 0.78 0.00 0.43 0.00 -1.03 0.00 0.00 54.13 54.31 1xs1 s LEU 163 Cb -0.33 -2.90 2.28 0.00 0.03 0.00 0.00 46.19 45.26 1xs1 s LEU 163 CO 0.36 -1.00 2.32 0.77 0.23 0.00 0.00 176.35 179.04 1xs1 h SER 164 N 0.21 0.00 -1.16 2.29 4.64 -1.95 -3.45 113.55 114.13 1xs1 h SER 164 Ca -0.43 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.05 1xs1 h SER 164 Cb 1.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 1xs1 h SER 164 CO 0.52 0.00 0.42 0.61 -0.87 0.00 0.00 176.83 177.52 1xs1 n GLY 165 N -0.96 0.49 3.70 -0.77 0.00 -1.26 -5.13 105.19 101.25 1xs1 n GLY 165 Ca -0.03 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1xs1 n GLY 165 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xs1 s PRO 166 N -2.01 4.34 0.26 1.61 0.04 -1.26 -4.58 135.00 133.39 1xs1 s PRO 166 Ca 0.14 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1xs1 s PRO 166 Cb -0.00 -3.46 -0.10 0.00 0.04 0.00 0.00 34.50 30.97 1xs1 s PRO 166 CO -0.00 -0.45 1.40 0.00 0.04 0.00 0.00 177.00 177.99 1xs1 s ALA 167 N 1.84 3.59 -0.22 8.56 0.00 -0.30 -4.93 121.76 130.30 1xs1 s ALA 167 Ca 0.61 1.29 0.17 0.00 0.00 0.00 0.00 51.96 54.04 1xs1 s ALA 167 Cb -0.31 -3.53 0.12 0.00 0.00 0.00 0.00 23.12 19.40 1xs1 s ALA 167 CO 0.27 -0.71 1.47 0.28 0.00 0.00 0.00 175.76 177.07 1xs1 h VAL 168 N 3.45 0.65 -2.12 0.00 2.07 -1.93 -3.36 116.25 115.00 1xs1 h VAL 168 Ca -0.46 -1.92 -0.59 0.00 0.82 0.00 0.00 66.70 64.55 1xs1 h VAL 168 Cb 1.22 2.31 -0.41 0.00 -1.52 0.00 0.00 31.29 32.89 1xs1 h VAL 168 CO 0.75 0.37 -0.77 0.54 0.02 0.00 0.00 177.57 178.48 1xs1 n ARG 169 N -3.18 1.90 -1.45 1.57 1.74 -1.26 -5.06 116.66 110.91 1xs1 n ARG 169 Ca 0.02 -4.17 -0.30 0.00 -0.77 0.00 0.00 57.85 52.63 1xs1 n ARG 169 Cb 0.69 -1.89 0.10 0.00 -1.02 0.00 0.00 32.46 30.33 1xs1 n ARG 169 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xs1 s PRO 170 N -2.03 1.93 0.30 5.56 0.04 -1.26 -4.75 135.00 134.79 1xs1 s PRO 170 Ca 0.38 0.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.13 1xs1 s PRO 170 Cb 0.16 -1.89 0.46 0.00 0.04 0.00 0.00 34.50 33.26 1xs1 s PRO 170 CO -0.04 -1.75 1.97 -0.92 0.04 0.00 0.00 177.00 176.29 1xs1 h TYR 171 N -1.19 1.00 0.00 0.56 3.20 -1.11 -1.00 116.97 118.44 1xs1 h TYR 171 Ca -0.47 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1xs1 h TYR 171 Cb 1.27 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1xs1 h TYR 171 CO 0.47 0.64 0.00 0.27 -1.64 0.00 0.00 178.16 177.90 1xs1 n ASN 172 N -4.40 0.39 -0.00 -2.11 6.94 -1.24 -2.46 115.26 112.36 1xs1 n ASN 172 Ca 0.09 0.59 0.05 0.00 -0.02 0.00 0.00 54.58 55.29 1xs1 n ASN 172 Cb 0.04 -0.68 -0.07 0.00 -2.36 0.00 0.00 39.78 36.72 1xs1 n ASN 172 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1xs1 n ARG 173 N -1.92 2.72 -2.71 -3.83 1.74 -0.43 -4.97 116.66 107.25 1xs1 n ARG 173 Ca 0.03 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1xs1 n ARG 173 Cb 0.21 -1.07 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 1xs1 n ARG 173 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1xs1 s ARG 174 N -2.19 4.49 0.31 5.56 1.70 -0.89 -4.90 118.95 123.03 1xs1 s ARG 174 Ca 0.02 1.38 0.25 0.00 -0.47 0.00 0.00 55.73 56.91 1xs1 s ARG 174 Cb 0.08 -3.50 0.63 0.00 -0.57 0.00 0.00 34.95 31.59 1xs1 s ARG 174 CO 0.45 -0.17 1.71 1.05 -1.08 0.00 0.00 175.30 177.26 1xs1 h GLU 175 N 6.94 0.00 -0.61 3.89 4.11 -1.93 -2.28 114.58 124.70 1xs1 h GLU 175 Ca -0.36 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.97 1xs1 h GLU 175 Cb 1.19 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 1xs1 h GLU 175 CO 0.80 0.00 0.11 -0.40 0.07 0.00 0.00 179.01 179.59 1xs1 n ASP 176 N -2.62 5.10 -4.75 3.06 5.75 -1.26 -4.93 116.55 116.89 1xs1 n ASP 176 Ca 0.05 -3.09 -0.41 0.00 -0.01 0.00 0.00 54.79 51.32 1xs1 n ASP 176 Cb 0.47 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.83 1xs1 n ASP 176 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xs1 s ALA 177 N -2.89 3.55 -0.12 2.12 0.00 -0.86 -4.96 121.76 118.60 1xs1 s ALA 177 Ca 0.53 1.22 -0.13 0.00 0.00 0.00 0.00 51.96 53.58 1xs1 s ALA 177 Cb 0.42 -3.50 -0.26 0.00 0.00 0.00 0.00 23.12 19.78 1xs1 s ALA 177 CO 0.14 -0.63 0.46 0.87 0.00 0.00 0.00 175.76 176.60 1xs1 h LYS 178 N 4.64 0.23 -0.32 0.00 1.57 -1.91 -3.42 116.57 117.36 1xs1 h LYS 178 Ca -0.46 -0.39 -0.19 0.00 -1.87 0.00 0.00 60.65 57.73 1xs1 h LYS 178 Cb 1.22 0.15 -0.13 0.00 0.08 0.00 0.00 32.23 33.55 1xs1 h LYS 178 CO 0.74 1.19 -0.29 0.66 -0.57 0.00 0.00 179.45 181.17 1xs1 n TYR 179 N -3.83 1.05 -1.40 -1.35 4.02 -1.26 -5.02 117.16 109.37 1xs1 n TYR 179 Ca -0.28 -1.72 -0.34 0.00 -0.01 0.00 0.00 57.90 55.55 1xs1 n TYR 179 Cb 0.93 -0.43 0.09 0.00 -0.02 0.00 0.00 39.34 39.92 1xs1 n TYR 179 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1xs1 s ARG 180 N -3.32 2.12 -1.70 -0.72 0.52 -1.26 -2.78 118.95 111.80 1xs1 s ARG 180 Ca 0.44 1.69 0.00 0.00 -0.52 0.00 0.00 55.73 57.34 1xs1 s ARG 180 Cb 0.40 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 34.03 1xs1 s ARG 180 CO -0.02 -1.84 0.00 0.09 0.02 0.00 0.00 175.30 173.55 1xs1 n ASN 181 N -2.84 -5.69 -4.66 0.23 5.03 -1.25 -4.94 115.26 101.14 1xs1 n ASN 181 Ca 0.13 -0.02 -0.43 0.00 0.87 0.00 0.00 54.58 55.13 1xs1 n ASN 181 Cb 0.51 -4.72 -0.02 0.00 -1.02 0.00 0.00 39.78 34.53 1xs1 n ASN 181 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1xs1 s GLN 182 N -4.99 4.27 -0.11 3.52 0.74 -1.12 -4.90 119.66 117.08 1xs1 s GLN 182 Ca 0.00 1.35 0.20 0.00 0.05 0.00 0.00 55.36 56.96 1xs1 s GLN 182 Cb 0.00 -3.63 0.44 0.00 1.10 0.00 0.00 33.01 30.92 1xs1 s GLN 182 CO 0.00 -0.61 1.17 1.04 -0.55 0.00 0.00 175.29 176.35 1xs1 n GLN 183 N 6.22 0.93 -2.25 1.67 6.02 -1.26 -2.64 117.38 126.08 1xs1 n GLN 183 Ca 0.12 -2.72 -0.03 0.00 -0.01 0.00 0.00 57.00 54.36 1xs1 n GLN 183 Cb 0.46 -0.82 0.01 0.00 1.02 0.00 0.00 30.24 30.91 1xs1 n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xs1 n GLY 184 N -0.16 1.40 2.88 1.08 0.00 -1.26 -5.00 105.19 104.13 1xs1 n GLY 184 Ca 0.12 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 1xs1 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs1 n ALA 185 N -2.01 4.30 -2.09 4.61 0.00 -1.26 -4.82 120.51 119.24 1xs1 n ALA 185 Ca -0.07 -3.22 -0.41 0.00 0.00 0.00 0.00 53.44 49.74 1xs1 n ALA 185 Cb 0.25 -3.49 -0.04 0.00 0.00 0.00 0.00 19.45 16.17 1xs1 n ALA 185 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xs1 s VAL 186 N 4.16 3.69 1.05 0.00 1.01 -1.26 -4.73 120.40 124.32 1xs1 s VAL 186 Ca 0.53 1.41 -0.12 0.00 0.00 0.00 0.00 61.98 63.79 1xs1 s VAL 186 Cb 0.14 -3.90 0.22 0.00 0.00 0.00 0.00 36.38 32.84 1xs1 s VAL 186 CO 0.03 0.22 1.07 0.00 0.00 0.00 0.00 175.10 176.42 1xs1 s ALA 187 N 0.01 0.45 0.34 5.51 0.00 -1.26 -4.95 121.76 121.85 1xs1 s ALA 187 Ca 0.52 -0.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1xs1 s ALA 187 Cb -0.31 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.50 1xs1 s ALA 187 CO 0.35 -3.20 1.47 0.45 0.00 0.00 0.00 175.76 174.83 1xs1 s SER 188 N -3.02 6.46 -0.34 0.00 0.15 -1.26 -4.93 113.70 110.77 1xs1 s SER 188 Ca 0.66 2.92 0.07 0.00 0.70 0.00 0.00 55.95 60.31 1xs1 s SER 188 Cb -0.21 -2.65 0.51 0.00 -1.71 0.00 0.00 66.02 61.95 1xs1 s SER 188 CO 0.60 -0.80 1.52 0.54 1.20 0.00 0.00 173.24 176.31 1xs1 n ARG 189 N 1.05 2.15 0.24 5.44 1.74 -1.26 -4.75 116.66 121.28 1xs1 n ARG 189 Ca 0.03 -3.31 0.18 0.00 -0.77 0.00 0.00 57.85 53.97 1xs1 n ARG 189 Cb 0.39 -1.95 0.83 0.00 -1.02 0.00 0.00 32.46 30.72 1xs1 n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1xs1 h ILE 190 N 1.14 0.20 0.00 0.55 6.09 -1.94 0.35 117.51 123.90 1xs1 h ILE 190 Ca 0.31 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.80 1xs1 h ILE 190 Cb 1.67 0.72 0.00 0.00 0.47 0.00 0.00 36.82 39.68 1xs1 h ILE 190 CO 0.60 0.00 0.00 -2.24 -3.07 0.00 0.00 178.15 173.44 1xs1 h ASP 191 N 0.00 0.00 0.90 2.19 2.03 -1.85 -2.70 116.42 116.98 1xs1 h ASP 191 Ca 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1xs1 h ASP 191 Cb 0.70 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.20 1xs1 h ASP 191 CO -0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 1xs1 n LYS 192 N -2.92 0.01 0.00 4.15 4.76 0.12 -4.84 118.16 119.45 1xs1 n LYS 192 Ca -0.00 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1xs1 n LYS 192 Cb 0.23 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 1xs1 n LYS 192 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78