#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x71 s SER 5 N 0.00 6.42 -0.12 3.42 0.01 -1.26 -5.10 113.70 117.07 1x71 s SER 5 Ca 0.00 0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.70 1x71 s SER 5 Cb 0.00 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.22 1x71 s SER 5 CO 0.00 0.23 -0.13 -1.81 0.41 0.00 0.00 173.24 171.93 1x71 s ASP 6 N -1.99 2.44 0.01 2.44 1.01 -1.26 -5.15 116.67 114.18 1x71 s ASP 6 Ca 0.30 -0.42 0.02 0.00 0.71 0.00 0.00 52.55 53.15 1x71 s ASP 6 Cb -0.13 -1.07 -0.01 0.00 1.01 0.00 0.00 42.92 42.73 1x71 s ASP 6 CO 0.20 -0.03 -0.06 -0.76 0.21 0.00 0.00 175.17 174.73 1x71 s LEU 7 N 1.25 2.08 0.29 1.23 1.43 -1.26 -5.11 118.68 118.59 1x71 s LEU 7 Ca -0.01 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 1x71 s LEU 7 Cb -0.14 -0.24 -0.12 0.00 0.03 0.00 0.00 46.19 45.73 1x71 s LEU 7 CO -0.05 -0.01 1.56 -0.38 0.23 0.00 0.00 176.35 177.69 1x71 n ILE 8 N 2.56 1.11 -2.13 -0.59 5.41 -1.26 -4.92 119.36 119.54 1x71 n ILE 8 Ca -0.15 -0.28 -0.35 0.00 1.00 0.00 0.00 62.75 62.96 1x71 n ILE 8 Cb 0.57 -1.89 0.02 0.00 -0.71 0.00 0.00 39.64 37.63 1x71 n ILE 8 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1x71 s PRO 9 N -0.65 3.17 0.49 0.38 0.02 -1.26 -4.88 135.00 132.27 1x71 s PRO 9 Ca 0.63 1.68 -0.22 0.00 0.02 0.00 0.00 61.00 63.11 1x71 s PRO 9 Cb -0.52 -1.97 -0.07 0.00 0.02 0.00 0.00 34.50 31.97 1x71 s PRO 9 CO 0.50 -1.01 1.23 0.00 -0.33 0.00 0.00 177.00 177.39 1x71 s ALA 10 N -1.75 2.92 0.72 -1.55 0.00 -1.26 -4.97 121.76 115.87 1x71 s ALA 10 Ca 0.74 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 53.65 1x71 s ALA 10 Cb -0.26 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.44 1x71 s ALA 10 CO 0.30 -0.89 1.10 -1.25 0.00 0.00 0.00 175.76 175.02 1x71 s PRO 11 N -2.77 2.75 0.47 0.00 0.04 -1.26 -5.01 135.00 129.21 1x71 s PRO 11 Ca 0.66 0.47 -0.22 0.00 0.04 0.00 0.00 61.00 61.95 1x71 s PRO 11 Cb -0.32 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 1x71 s PRO 11 CO 0.39 -1.12 1.13 -1.25 0.04 0.00 0.00 177.00 176.19 1x71 s PRO 12 N -5.35 3.75 0.65 0.56 0.04 -1.26 -4.87 135.00 128.51 1x71 s PRO 12 Ca 0.59 1.66 0.37 0.00 0.04 0.00 0.00 61.00 63.66 1x71 s PRO 12 Cb -0.11 -2.31 2.08 0.00 0.04 0.00 0.00 34.50 34.19 1x71 s PRO 12 CO 0.52 -0.53 2.22 -0.07 0.04 0.00 0.00 177.00 179.18 1x71 h LEU 13 N 1.90 0.00 -2.69 -3.56 -0.00 -1.95 0.07 115.31 109.08 1x71 h LEU 13 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.39 1x71 h LEU 13 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1x71 h LEU 13 CO 0.60 0.00 -0.01 0.77 -0.00 0.00 0.00 178.44 179.80 1x71 h SER 14 N 0.00 0.00 -0.22 -0.43 4.64 -2.02 0.14 113.55 115.65 1x71 h SER 14 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1x71 h SER 14 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1x71 h SER 14 CO -0.00 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1x71 n LYS 15 N -3.35 2.16 -3.95 4.77 5.02 0.01 -4.79 118.16 118.02 1x71 n LYS 15 Ca -0.03 -1.73 -0.32 0.00 -2.02 0.00 0.00 58.31 54.21 1x71 n LYS 15 Cb 0.10 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.50 1x71 n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1x71 s VAL 16 N -1.72 2.56 0.95 -0.18 1.01 0.49 -4.96 120.40 118.56 1x71 s VAL 16 Ca 0.35 -2.39 -0.11 0.00 0.00 0.00 0.00 61.98 59.83 1x71 s VAL 16 Cb 0.20 -2.84 0.15 0.00 0.00 0.00 0.00 36.38 33.90 1x71 s VAL 16 CO 0.30 -0.64 1.05 -2.65 0.00 0.00 0.00 175.10 173.16 1x71 n PRO 17 N 4.20 -0.67 -5.06 2.72 -0.02 -1.26 -4.98 135.00 129.92 1x71 n PRO 17 Ca 0.03 -0.14 -0.32 0.00 -2.02 0.00 0.00 63.50 61.05 1x71 n PRO 17 Cb 0.41 -2.30 -0.16 0.00 -0.02 0.00 0.00 33.50 31.43 1x71 n PRO 17 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1x71 s LEU 18 N -6.11 2.29 0.03 2.45 2.96 -1.26 -4.08 118.68 114.96 1x71 s LEU 18 Ca 0.66 -0.49 -0.33 0.00 -0.22 0.00 0.00 54.13 53.75 1x71 s LEU 18 Cb -0.23 -1.48 -0.12 0.00 0.50 0.00 0.00 46.19 44.87 1x71 s LEU 18 CO 0.60 0.16 1.82 1.67 -1.32 0.00 0.00 176.35 179.28 1x71 n GLN 19 N 3.54 2.40 -2.13 1.98 -0.06 0.10 -4.91 117.38 118.29 1x71 n GLN 19 Ca -0.19 0.87 -0.41 0.00 -2.00 0.00 0.00 57.00 55.28 1x71 n GLN 19 Cb 0.53 -2.73 -0.02 0.00 -4.06 0.00 0.00 30.24 23.96 1x71 n GLN 19 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 1x71 s GLN 20 N 3.14 4.36 -1.28 3.69 0.74 -1.26 -3.62 119.66 125.42 1x71 s GLN 20 Ca 0.87 2.18 -0.06 0.00 0.05 0.00 0.00 55.36 58.40 1x71 s GLN 20 Cb -0.61 -3.11 -0.01 0.00 1.10 0.00 0.00 33.01 30.38 1x71 s GLN 20 CO 0.44 -0.23 0.64 -1.71 -0.55 0.00 0.00 175.29 173.88 1x71 n ASN 21 N 1.52 -2.19 -4.70 6.67 5.15 -1.26 -4.86 115.26 115.59 1x71 n ASN 21 Ca 0.03 -0.93 -0.43 0.00 -0.60 0.00 0.00 54.58 52.65 1x71 n ASN 21 Cb 0.42 -3.61 -0.01 0.00 -0.53 0.00 0.00 39.78 36.05 1x71 n ASN 21 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1x71 n PHE 22 N -4.24 2.35 -3.79 1.20 -0.00 -1.24 -4.96 117.46 106.78 1x71 n PHE 22 Ca -0.24 0.50 -0.36 0.00 -0.00 0.00 0.00 57.45 57.36 1x71 n PHE 22 Cb 0.66 -2.44 -0.12 0.00 -0.00 0.00 0.00 39.48 37.57 1x71 n PHE 22 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1x71 s GLN 23 N -1.53 2.02 0.35 -4.13 -0.21 -1.26 -4.84 119.66 110.06 1x71 s GLN 23 Ca 0.58 -1.93 0.06 0.00 0.02 0.00 0.00 55.36 54.10 1x71 s GLN 23 Cb -0.57 -3.57 0.74 0.00 1.00 0.00 0.00 33.01 30.61 1x71 s GLN 23 CO 0.59 -1.08 1.92 0.38 -2.12 0.00 0.00 175.29 174.98 1x71 h ASP 24 N 7.86 0.70 -0.57 5.90 2.03 -1.99 -2.00 116.42 128.34 1x71 h ASP 24 Ca -0.11 0.02 -0.08 0.00 -0.73 0.00 0.00 57.03 56.13 1x71 h ASP 24 Cb 1.03 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 39.38 1x71 h ASP 24 CO 0.69 0.41 0.04 -0.55 -1.03 0.00 0.00 179.24 178.80 1x71 h ASN 25 N 0.77 0.95 0.88 4.15 -1.07 -1.99 -2.90 115.58 116.37 1x71 h ASN 25 Ca 0.38 -0.29 -0.04 0.00 0.07 0.00 0.00 56.30 56.42 1x71 h ASN 25 Cb 0.44 -0.25 -0.01 0.00 -2.07 0.00 0.00 38.32 36.43 1x71 h ASN 25 CO -0.15 1.00 -0.21 1.56 0.07 0.00 0.00 177.43 179.70 1x71 h GLN 26 N 0.87 0.00 0.00 4.14 1.08 -1.81 -3.03 115.11 116.36 1x71 h GLN 26 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1x71 h GLN 26 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1x71 h GLN 26 CO 0.02 0.21 -0.09 0.34 -0.95 0.00 0.00 178.83 178.36 1x71 n PHE 27 N -3.40 0.61 -0.61 2.96 -0.00 -0.94 -4.80 117.46 111.28 1x71 n PHE 27 Ca -0.00 0.18 -0.29 0.00 -0.00 0.00 0.00 57.45 57.34 1x71 n PHE 27 Cb 0.41 -0.77 0.24 0.00 -0.00 0.00 0.00 39.48 39.36 1x71 n PHE 27 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1x71 s GLN 28 N -3.08 -0.62 0.00 -4.13 -0.21 -1.15 -4.87 119.66 105.61 1x71 s GLN 28 Ca 0.11 0.91 0.00 0.00 0.02 0.00 0.00 55.36 56.40 1x71 s GLN 28 Cb 0.14 -1.58 0.00 0.00 1.00 0.00 0.00 33.01 32.57 1x71 s GLN 28 CO 0.60 -3.54 0.00 0.41 -2.12 0.00 0.00 175.29 170.64 1x71 n GLY 29 N 0.60 -1.69 3.78 3.09 0.00 0.23 -4.89 105.19 106.31 1x71 n GLY 29 Ca 0.04 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 1x71 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x71 s LYS 30 N 0.00 4.20 -0.03 1.61 2.20 -1.26 -0.63 119.74 125.83 1x71 s LYS 30 Ca 0.00 0.60 0.03 0.00 -0.36 0.00 0.00 55.97 56.24 1x71 s LYS 30 Cb 0.00 -3.31 -0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1x71 s LYS 30 CO 0.00 0.46 -0.12 -1.58 -0.36 0.00 0.00 175.35 173.75 1x71 s TRP 31 N -0.45 1.24 0.00 4.03 0.52 0.09 -4.74 118.94 119.63 1x71 s TRP 31 Ca 0.28 -0.32 -0.13 0.00 0.02 0.00 0.00 56.10 55.94 1x71 s TRP 31 Cb -0.18 -0.85 -0.06 0.00 -1.15 0.00 0.00 33.47 31.24 1x71 s TRP 31 CO 0.15 -0.12 0.38 0.71 0.02 0.00 0.00 176.95 178.10 1x71 s TYR 32 N 0.10 3.70 -0.89 -1.98 2.02 -0.02 -0.49 117.35 119.80 1x71 s TYR 32 Ca -0.03 0.93 -0.20 0.00 -0.37 0.00 0.00 57.07 57.40 1x71 s TYR 32 Cb -0.09 -2.24 0.11 0.00 -0.40 0.00 0.00 41.96 39.33 1x71 s TYR 32 CO 0.01 0.64 1.14 0.08 -1.57 0.00 0.00 175.55 175.85 1x71 s VAL 33 N -1.12 4.52 -1.43 0.71 1.01 -0.53 -0.71 120.40 122.85 1x71 s VAL 33 Ca 0.24 -1.19 0.27 0.00 0.00 0.00 0.00 61.98 61.31 1x71 s VAL 33 Cb -0.16 -4.80 0.27 0.00 0.00 0.00 0.00 36.38 31.69 1x71 s VAL 33 CO 0.13 -1.57 1.69 1.33 0.00 0.00 0.00 175.10 176.69 1x71 n VAL 34 N 5.80 0.00 -3.71 2.92 0.24 -0.05 -4.51 118.33 119.02 1x71 n VAL 34 Ca 0.19 -0.05 -0.14 0.00 -2.04 0.00 0.00 64.34 62.30 1x71 n VAL 34 Cb 0.49 0.05 -0.09 0.00 -1.47 0.00 0.00 33.84 32.81 1x71 n VAL 34 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1x71 s GLY 35 N -2.68 -0.32 -0.11 7.63 0.00 -0.99 -4.06 107.32 106.80 1x71 s GLY 35 Ca 0.21 1.07 -0.05 0.00 0.00 0.00 0.00 44.72 45.96 1x71 s GLY 35 CO 0.55 0.87 0.24 -2.27 0.00 0.00 0.00 173.10 172.49 1x71 s LEU 36 N -0.24 0.17 0.04 0.66 2.96 -0.17 -0.13 118.68 121.98 1x71 s LEU 36 Ca -0.04 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1x71 s LEU 36 Cb -0.03 0.66 -0.03 0.00 0.50 0.00 0.00 46.19 47.29 1x71 s LEU 36 CO 0.02 -0.19 -0.05 0.00 -1.32 0.00 0.00 176.35 174.81 1x71 s ALA 37 N 1.70 0.41 0.00 5.97 0.00 -0.36 0.53 121.76 130.00 1x71 s ALA 37 Ca -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1x71 s ALA 37 Cb -0.11 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1x71 s ALA 37 CO -0.08 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1x71 n GLY 38 N 1.16 1.13 0.15 0.00 0.00 -0.82 0.16 105.19 106.97 1x71 n GLY 38 Ca -0.21 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.03 1x71 n GLY 38 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1x71 h ASN 39 N 0.00 0.00 -0.26 1.61 -1.07 -1.57 -2.43 115.58 111.86 1x71 h ASN 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1x71 h ASN 39 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1x71 h ASN 39 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.50 1x71 n ALA 40 N -1.83 2.53 -2.71 4.14 0.00 -1.26 -4.66 120.51 116.72 1x71 n ALA 40 Ca 0.02 -1.73 -0.37 0.00 0.00 0.00 0.00 53.44 51.37 1x71 n ALA 40 Cb 0.28 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 19.10 1x71 n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x71 s ILE 41 N -1.91 5.17 -0.04 0.00 -1.09 -0.92 -5.08 121.20 117.33 1x71 s ILE 41 Ca 0.30 0.11 0.03 0.00 -2.23 0.00 0.00 60.65 58.87 1x71 s ILE 41 Cb 0.22 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 1x71 s ILE 41 CO 0.11 0.34 -0.13 -0.22 -1.23 0.00 0.00 174.94 173.80 1x71 s LEU 42 N 1.17 1.80 0.27 2.97 1.98 -1.26 -4.27 118.68 121.34 1x71 s LEU 42 Ca 0.07 -0.29 -0.29 0.00 -2.89 0.00 0.00 54.13 50.72 1x71 s LEU 42 Cb -0.14 -0.81 -0.10 0.00 0.66 0.00 0.00 46.19 45.80 1x71 s LEU 42 CO 0.05 0.09 1.32 -0.60 -1.89 0.00 0.00 176.35 175.32 1x71 s ARG 43 N 0.26 4.37 -0.16 1.98 3.52 -0.76 -5.00 118.95 123.16 1x71 s ARG 43 Ca -0.07 2.15 0.00 0.00 -0.13 0.00 0.00 55.73 57.69 1x71 s ARG 43 Cb -0.12 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.17 1x71 s ARG 43 CO 0.02 -0.23 -0.15 -1.21 -0.81 0.00 0.00 175.30 172.93 1x71 s GLU 44 N -0.95 2.36 0.03 5.12 8.01 -1.26 -5.03 118.70 126.98 1x71 s GLU 44 Ca 0.53 -0.63 -0.15 0.00 0.01 0.00 0.00 54.97 54.73 1x71 s GLU 44 Cb -0.39 -2.20 -0.07 0.00 -4.31 0.00 0.00 34.13 27.16 1x71 s GLU 44 CO 0.45 -0.25 1.23 0.38 0.01 0.00 0.00 175.26 177.08 1x71 h ASP 45 N 8.03 -0.57 -0.17 -0.19 3.04 -2.01 -3.22 116.42 121.32 1x71 h ASP 45 Ca -0.38 0.04 0.03 0.00 -3.24 0.00 0.00 57.03 53.48 1x71 h ASP 45 Cb 1.13 0.18 -0.03 0.00 -1.04 0.00 0.00 39.33 39.57 1x71 h ASP 45 CO 0.54 -0.29 -0.04 0.07 -2.04 0.00 0.00 179.24 177.47 1x71 h LYS 46 N -0.45 -0.00 -3.09 4.15 5.09 -2.04 -3.38 116.57 116.86 1x71 h LYS 46 Ca -0.03 0.00 -0.58 0.00 0.09 0.00 0.00 60.65 60.13 1x71 h LYS 46 Cb 0.38 0.00 -0.40 0.00 0.10 0.00 0.00 32.23 32.31 1x71 h LYS 46 CO -0.01 -0.00 -0.78 0.16 -2.09 0.00 0.00 179.45 176.73 1x71 s ASP 47 N -5.20 3.64 0.39 7.07 -4.77 -1.25 -5.12 116.67 111.44 1x71 s ASP 47 Ca -0.13 -1.85 -0.27 0.00 -3.30 0.00 0.00 52.55 47.00 1x71 s ASP 47 Cb 0.10 -0.69 -0.10 0.00 -1.09 0.00 0.00 42.92 41.14 1x71 s ASP 47 CO 0.68 -0.37 1.38 -2.16 0.70 0.00 0.00 175.17 175.39 1x71 s PRO 48 N 1.39 4.03 0.16 2.11 0.04 -1.22 -4.75 135.00 136.77 1x71 s PRO 48 Ca 0.13 2.33 -0.33 0.00 0.04 0.00 0.00 61.00 63.16 1x71 s PRO 48 Cb -0.19 -2.86 -0.16 0.00 0.04 0.00 0.00 34.50 31.33 1x71 s PRO 48 CO -0.18 -0.50 1.20 0.94 0.04 0.00 0.00 177.00 178.50 1x71 n GLN 49 N 0.29 1.21 -3.74 4.56 -0.06 -1.26 -4.83 117.38 113.55 1x71 n GLN 49 Ca 0.02 0.43 -0.32 0.00 -2.00 0.00 0.00 57.00 55.13 1x71 n GLN 49 Cb 0.42 -1.96 -0.05 0.00 -4.06 0.00 0.00 30.24 24.59 1x71 n GLN 49 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1x71 s LYS 50 N -0.25 3.58 0.38 3.69 1.02 -1.26 -1.14 119.74 125.76 1x71 s LYS 50 Ca 0.74 -0.14 -0.27 0.00 0.02 0.00 0.00 55.97 56.32 1x71 s LYS 50 Cb -0.85 -2.95 -0.09 0.00 -0.52 0.00 0.00 37.83 33.41 1x71 s LYS 50 CO 0.51 0.54 1.34 1.41 -0.92 0.00 0.00 175.35 178.24 1x71 s MET 51 N -2.38 4.07 0.35 1.68 -2.45 -0.31 -4.69 119.30 115.58 1x71 s MET 51 Ca 0.36 2.26 0.04 0.00 -1.25 0.00 0.00 55.69 57.10 1x71 s MET 51 Cb -0.13 -2.87 -0.03 0.00 1.25 0.00 0.00 34.83 33.05 1x71 s MET 51 CO 0.23 -0.44 0.15 1.52 1.05 0.00 0.00 175.02 177.52 1x71 s TYR 52 N -1.20 1.71 0.14 4.11 1.13 -1.26 -4.69 117.35 117.29 1x71 s TYR 52 Ca 0.54 -1.31 0.04 0.00 -1.41 0.00 0.00 57.07 54.93 1x71 s TYR 52 Cb -0.40 -1.00 -0.04 0.00 -1.10 0.00 0.00 41.96 39.41 1x71 s TYR 52 CO 0.53 -0.41 -0.10 0.00 -2.51 0.00 0.00 175.55 173.06 1x71 s ALA 53 N -3.42 1.41 -0.04 9.51 0.00 -0.75 -1.45 121.76 127.02 1x71 s ALA 53 Ca 0.32 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1x71 s ALA 53 Cb 0.04 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1x71 s ALA 53 CO 0.17 -0.09 -0.03 0.99 0.00 0.00 0.00 175.76 176.80 1x71 s THR 54 N -3.22 0.42 -0.17 0.00 2.01 0.36 -0.56 115.64 114.48 1x71 s THR 54 Ca 0.15 -0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 1x71 s THR 54 Cb 0.02 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1x71 s THR 54 CO 0.00 0.21 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.45 1x71 s ILE 55 N 1.03 3.52 -0.29 1.82 1.01 0.15 -0.73 121.20 127.72 1x71 s ILE 55 Ca -0.09 -0.47 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 1x71 s ILE 55 Cb -0.14 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 1x71 s ILE 55 CO -0.01 0.47 0.13 -0.31 0.00 0.00 0.00 174.94 175.23 1x71 s TYR 56 N 0.76 3.16 -0.20 3.97 2.02 0.20 -0.58 117.35 126.68 1x71 s TYR 56 Ca -0.02 -0.49 -0.02 0.00 -0.37 0.00 0.00 57.07 56.17 1x71 s TYR 56 Cb -0.15 -2.32 -0.00 0.00 -0.40 0.00 0.00 41.96 39.09 1x71 s TYR 56 CO 0.02 -0.41 -0.09 -1.21 -1.57 0.00 0.00 175.55 172.28 1x71 s GLU 57 N 1.62 3.29 0.02 -0.62 2.02 0.21 -0.60 118.70 124.64 1x71 s GLU 57 Ca 0.05 -0.68 -0.30 0.00 0.02 0.00 0.00 54.97 54.06 1x71 s GLU 57 Cb -0.16 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 1x71 s GLU 57 CO 0.06 -0.13 1.03 -1.17 0.02 0.00 0.00 175.26 175.07 1x71 s LEU 58 N 1.24 4.37 0.26 1.80 0.20 -1.26 -0.86 118.68 124.43 1x71 s LEU 58 Ca 0.03 1.74 0.05 0.00 0.69 0.00 0.00 54.13 56.64 1x71 s LEU 58 Cb -0.14 -3.57 -0.03 0.00 -0.43 0.00 0.00 46.19 42.02 1x71 s LEU 58 CO -0.04 -0.30 0.39 -1.59 -0.29 0.00 0.00 176.35 174.53 1x71 s LYS 59 N 0.98 3.40 0.44 1.98 0.00 -0.15 -4.95 119.74 121.44 1x71 s LYS 59 Ca 0.53 -0.75 0.17 0.00 0.00 0.00 0.00 55.97 55.92 1x71 s LYS 59 Cb -0.23 -2.86 1.09 0.00 0.00 0.00 0.00 37.83 35.84 1x71 s LYS 59 CO 0.28 0.35 1.93 1.49 0.00 0.00 0.00 175.35 179.41 1x71 h GLU 60 N 1.09 0.35 0.00 1.78 4.81 -1.96 0.13 114.58 120.79 1x71 h GLU 60 Ca -0.51 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1x71 h GLU 60 Cb 1.23 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1x71 h GLU 60 CO 0.60 0.23 0.00 -0.40 -0.73 0.00 0.00 179.01 178.71 1x71 n ASP 61 N -4.46 0.00 0.00 1.04 5.68 -1.26 -4.88 116.55 112.67 1x71 n ASP 61 Ca 0.14 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 1x71 n ASP 61 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1x71 n ASP 61 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1x71 n LYS 62 N -0.56 0.00 -2.59 0.11 4.76 0.47 -5.03 118.16 115.32 1x71 n LYS 62 Ca 0.03 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.23 1x71 n LYS 62 Cb 0.01 -2.47 0.03 0.00 -1.84 0.00 0.00 35.03 30.76 1x71 n LYS 62 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1x71 s SER 63 N -3.05 5.45 -0.05 4.39 1.04 -1.26 -4.62 113.70 115.60 1x71 s SER 63 Ca 0.00 0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.80 1x71 s SER 63 Cb 0.00 -1.34 -0.03 0.00 0.10 0.00 0.00 66.02 64.74 1x71 s SER 63 CO 0.00 -1.07 -0.03 -0.31 0.98 0.00 0.00 173.24 172.80 1x71 s TYR 64 N -2.85 3.02 -0.21 5.02 1.51 0.00 -0.98 117.35 122.86 1x71 s TYR 64 Ca 0.54 0.07 -0.17 0.00 -1.01 0.00 0.00 57.07 56.50 1x71 s TYR 64 Cb -0.10 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1x71 s TYR 64 CO 0.41 0.41 0.46 -0.80 -1.11 0.00 0.00 175.55 174.92 1x71 s ASN 65 N -1.11 6.48 -0.20 2.29 0.02 -0.04 -1.28 114.94 121.10 1x71 s ASN 65 Ca 0.15 0.57 -0.01 0.00 -1.02 0.00 0.00 52.86 52.56 1x71 s ASN 65 Cb -0.11 -2.26 0.01 0.00 0.02 0.00 0.00 41.25 38.91 1x71 s ASN 65 CO 0.05 -0.15 -0.13 -0.69 0.02 0.00 0.00 177.10 176.20 1x71 s VAL 66 N 1.62 2.61 -0.18 1.60 1.01 0.12 -0.62 120.40 126.56 1x71 s VAL 66 Ca 0.21 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1x71 s VAL 66 Cb -0.15 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 1x71 s VAL 66 CO 0.09 0.44 -0.12 -0.89 0.00 0.00 0.00 175.10 174.62 1x71 s THR 67 N 1.35 2.88 0.01 3.92 2.01 0.26 -0.49 115.64 125.58 1x71 s THR 67 Ca 0.04 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.37 1x71 s THR 67 Cb -0.14 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1x71 s THR 67 CO -0.08 0.49 0.03 -0.44 -0.69 0.00 0.00 174.62 173.92 1x71 s SER 68 N 1.06 5.30 -0.06 3.53 0.01 0.27 0.33 113.70 124.14 1x71 s SER 68 Ca -0.00 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.29 1x71 s SER 68 Cb -0.15 -1.42 0.02 0.00 0.21 0.00 0.00 66.02 64.69 1x71 s SER 68 CO -0.03 0.26 -0.07 0.54 0.41 0.00 0.00 173.24 174.35 1x71 s VAL 69 N -1.16 0.80 0.11 3.43 0.11 0.28 -1.15 120.40 122.81 1x71 s VAL 69 Ca 0.22 -0.26 0.06 0.00 -2.93 0.00 0.00 61.98 59.07 1x71 s VAL 69 Cb -0.12 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1x71 s VAL 69 CO 0.13 0.29 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.27 1x71 s LEU 70 N 0.95 2.36 -0.46 2.54 1.02 -0.01 -1.80 118.68 123.27 1x71 s LEU 70 Ca -0.10 -0.76 -0.15 0.00 0.02 0.00 0.00 54.13 53.14 1x71 s LEU 70 Cb -0.15 -0.64 0.07 0.00 0.02 0.00 0.00 46.19 45.49 1x71 s LEU 70 CO 0.00 -0.08 0.38 0.12 0.02 0.00 0.00 176.35 176.79 1x71 s PHE 71 N -1.78 3.24 -0.05 0.29 5.99 -1.26 0.09 117.98 124.51 1x71 s PHE 71 Ca 0.07 -0.88 -0.01 0.00 0.00 0.00 0.00 56.93 56.11 1x71 s PHE 71 Cb -0.07 -3.08 0.03 0.00 0.00 0.00 0.00 43.02 39.89 1x71 s PHE 71 CO 0.04 -0.77 0.00 0.50 -0.00 0.00 0.00 175.22 174.99 1x71 s ARG 72 N 1.65 0.45 -1.21 10.12 3.52 0.16 -4.86 118.95 128.78 1x71 s ARG 72 Ca 0.04 0.11 -0.01 0.00 -0.13 0.00 0.00 55.73 55.74 1x71 s ARG 72 Cb -0.24 -0.74 -0.00 0.00 -1.56 0.00 0.00 34.95 32.41 1x71 s ARG 72 CO 0.07 -0.22 0.94 1.63 -0.81 0.00 0.00 175.30 176.91 1x71 n LYS 73 N 4.70 -5.97 -0.95 5.12 5.02 -1.26 -1.72 118.16 123.09 1x71 n LYS 73 Ca -0.15 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1x71 n LYS 73 Cb 0.50 -5.73 0.00 0.00 -0.02 0.00 0.00 35.03 29.78 1x71 n LYS 73 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x71 n LYS 74 N -4.09 -1.64 -4.28 1.97 4.01 -1.26 -4.95 118.16 107.91 1x71 n LYS 74 Ca -0.28 0.41 -0.18 0.00 -0.51 0.00 0.00 58.31 57.76 1x71 n LYS 74 Cb 0.67 -4.77 -0.11 0.00 -0.51 0.00 0.00 35.03 30.31 1x71 n LYS 74 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1x71 s LYS 75 N -1.73 1.15 -0.14 1.97 1.02 -0.70 -5.11 119.74 116.20 1x71 s LYS 75 Ca 0.00 -1.40 -0.29 0.00 0.02 0.00 0.00 55.97 54.31 1x71 s LYS 75 Cb 0.00 -0.96 -0.01 0.00 -0.52 0.00 0.00 37.83 36.34 1x71 s LYS 75 CO 0.00 0.17 0.98 0.00 -0.92 0.00 0.00 175.35 175.58 1x71 s ASP 77 N 1.12 4.19 -0.18 0.00 3.68 0.11 -4.93 116.67 120.66 1x71 s ASP 77 Ca 0.46 -0.66 -0.06 0.00 2.13 0.00 0.00 52.55 54.42 1x71 s ASP 77 Cb -0.17 -1.68 -0.03 0.00 -1.45 0.00 0.00 42.92 39.59 1x71 s ASP 77 CO 0.15 -0.07 0.02 -0.31 0.13 0.00 0.00 175.17 175.09 1x71 s TYR 78 N 1.39 3.13 -0.07 -5.34 2.02 -1.26 -0.83 117.35 116.38 1x71 s TYR 78 Ca 0.03 -0.17 0.04 0.00 -0.37 0.00 0.00 57.07 56.60 1x71 s TYR 78 Cb -0.15 -2.06 -0.00 0.00 -0.40 0.00 0.00 41.96 39.35 1x71 s TYR 78 CO -0.05 -0.02 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.13 1x71 s TRP 79 N 0.59 2.15 0.02 2.71 0.52 -0.30 -4.97 118.94 119.65 1x71 s TRP 79 Ca 0.01 -0.75 0.08 0.00 0.02 0.00 0.00 56.10 55.46 1x71 s TRP 79 Cb -0.14 -1.45 -0.02 0.00 -1.15 0.00 0.00 33.47 30.71 1x71 s TRP 79 CO 0.02 -0.29 -0.25 0.42 0.02 0.00 0.00 176.95 176.87 1x71 s ILE 80 N 0.20 2.03 0.05 2.03 -1.09 -1.26 -0.57 121.20 122.59 1x71 s ILE 80 Ca -0.11 -1.23 -0.07 0.00 -2.23 0.00 0.00 60.65 57.01 1x71 s ILE 80 Cb -0.15 -1.71 -0.01 0.00 -1.58 0.00 0.00 42.46 39.01 1x71 s ILE 80 CO 0.05 0.44 0.14 -0.13 -1.23 0.00 0.00 174.94 174.22 1x71 s ARG 81 N -0.94 0.68 -0.21 2.79 0.52 0.36 -4.99 118.95 117.16 1x71 s ARG 81 Ca 0.10 -0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 54.49 1x71 s ARG 81 Cb -0.10 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.62 1x71 s ARG 81 CO 0.01 -0.19 -0.01 0.99 0.02 0.00 0.00 175.30 176.12 1x71 s THR 82 N -2.91 3.84 -0.30 0.02 2.01 -1.26 0.12 115.64 117.16 1x71 s THR 82 Ca -0.02 -0.35 -0.10 0.00 0.31 0.00 0.00 61.69 61.52 1x71 s THR 82 Cb 0.01 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 1x71 s THR 82 CO -0.06 0.42 0.17 -0.36 -0.69 0.00 0.00 174.62 174.10 1x71 s PHE 83 N 1.13 3.18 -0.13 4.92 2.99 -0.41 0.07 117.98 129.74 1x71 s PHE 83 Ca 0.02 -0.33 -0.10 0.00 0.00 0.00 0.00 56.93 56.53 1x71 s PHE 83 Cb -0.14 -2.37 -0.05 0.00 0.00 0.00 0.00 43.02 40.46 1x71 s PHE 83 CO 0.01 -0.36 0.20 0.08 -0.00 0.00 0.00 175.22 175.15 1x71 s VAL 84 N 1.67 5.39 0.03 -0.44 1.01 0.06 -0.82 120.40 127.30 1x71 s VAL 84 Ca 0.06 0.34 -0.35 0.00 0.00 0.00 0.00 61.98 62.03 1x71 s VAL 84 Cb -0.17 -3.49 -0.14 0.00 0.00 0.00 0.00 36.38 32.58 1x71 s VAL 84 CO 0.08 0.54 1.64 -2.65 0.00 0.00 0.00 175.10 174.70 1x71 n PRO 85 N 2.57 1.88 -0.03 2.72 -0.02 -1.26 -0.23 135.00 140.64 1x71 n PRO 85 Ca -0.17 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1x71 n PRO 85 Cb 0.53 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1x71 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x71 n GLY 86 N 3.62 0.45 0.27 -1.23 0.00 0.12 -4.67 105.19 103.75 1x71 n GLY 86 Ca 0.20 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.47 1x71 n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x71 h SER 87 N 0.00 0.09 -4.44 1.61 0.02 -1.94 -3.43 113.55 105.47 1x71 h SER 87 Ca 0.00 -0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.52 1x71 h SER 87 Cb 0.00 -0.02 -0.22 0.00 0.14 0.00 0.00 62.40 62.30 1x71 h SER 87 CO 0.00 0.07 -0.78 -1.10 -1.14 0.00 0.00 176.83 173.88 1x71 s GLN 88 N -5.13 0.85 0.13 3.45 -0.21 -1.26 -5.07 119.66 112.41 1x71 s GLN 88 Ca -0.06 -0.92 -0.33 0.00 0.02 0.00 0.00 55.36 54.08 1x71 s GLN 88 Cb 0.17 -0.87 -0.13 0.00 1.00 0.00 0.00 33.01 33.19 1x71 s GLN 88 CO 0.68 0.20 1.69 -2.30 -2.12 0.00 0.00 175.29 173.44 1x71 n PRO 89 N 1.41 2.37 0.00 2.91 -0.02 -1.26 -0.97 135.00 139.44 1x71 n PRO 89 Ca -0.20 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1x71 n PRO 89 Cb 0.54 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1x71 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x71 n GLY 90 N 3.78 0.61 3.68 -1.23 0.00 -1.26 -4.50 105.19 106.27 1x71 n GLY 90 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1x71 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x71 s GLU 91 N -0.60 2.50 -0.00 1.61 2.02 -0.14 -1.49 118.70 122.60 1x71 s GLU 91 Ca 0.00 -0.97 -0.04 0.00 0.02 0.00 0.00 54.97 53.98 1x71 s GLU 91 Cb 0.00 -2.46 -0.00 0.00 0.10 0.00 0.00 34.13 31.77 1x71 s GLU 91 CO 0.00 0.49 0.07 -0.06 0.02 0.00 0.00 175.26 175.78 1x71 s PHE 92 N -1.55 0.08 0.46 1.61 0.40 0.09 0.15 117.98 119.21 1x71 s PHE 92 Ca 0.27 -0.16 0.07 0.00 -0.60 0.00 0.00 56.93 56.51 1x71 s PHE 92 Cb -0.10 -0.07 0.01 0.00 0.51 0.00 0.00 43.02 43.36 1x71 s PHE 92 CO 0.19 -0.19 0.44 0.95 0.70 0.00 0.00 175.22 177.31 1x71 s THR 93 N -1.02 2.42 -0.20 0.64 -4.23 0.68 -0.40 115.64 113.54 1x71 s THR 93 Ca -0.11 -1.31 -0.16 0.00 -1.18 0.00 0.00 61.69 58.93 1x71 s THR 93 Cb -0.06 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 1x71 s THR 93 CO 0.00 0.00 0.39 -0.22 -0.54 0.00 0.00 174.62 174.26 1x71 s LEU 94 N -4.24 4.16 0.50 4.79 2.96 -1.26 -0.76 118.68 124.82 1x71 s LEU 94 Ca 0.47 0.51 -0.21 0.00 -0.22 0.00 0.00 54.13 54.69 1x71 s LEU 94 Cb -0.04 -2.51 -0.07 0.00 0.50 0.00 0.00 46.19 44.08 1x71 s LEU 94 CO 0.28 -0.07 1.10 -0.83 -1.32 0.00 0.00 176.35 175.51 1x71 s GLY 95 N 1.03 2.63 -1.23 7.98 0.00 0.11 -3.96 107.32 113.89 1x71 s GLY 95 Ca 0.19 0.77 -0.09 0.00 0.00 0.00 0.00 44.72 45.58 1x71 s GLY 95 CO 0.08 1.14 0.71 -2.01 0.00 0.00 0.00 173.10 173.01 1x71 n ASN 96 N -0.93 -3.24 0.24 1.64 5.15 -1.26 -4.71 115.26 112.15 1x71 n ASN 96 Ca 0.09 -0.93 0.09 0.00 -0.60 0.00 0.00 54.58 53.24 1x71 n ASN 96 Cb 0.51 -3.69 0.61 0.00 -0.53 0.00 0.00 39.78 36.68 1x71 n ASN 96 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1x71 h ILE 97 N -1.80 0.79 0.00 -1.44 2.10 -1.95 -2.55 117.51 112.66 1x71 h ILE 97 Ca -0.64 -0.69 -0.02 0.00 1.08 0.00 0.00 64.86 64.59 1x71 h ILE 97 Cb 1.36 1.41 -0.00 0.00 -1.09 0.00 0.00 36.82 38.50 1x71 h ILE 97 CO 0.53 0.17 -0.11 0.11 -1.08 0.00 0.00 178.15 177.77 1x71 h LYS 98 N 0.00 0.00 -0.03 2.19 1.57 -1.89 -0.01 116.57 118.40 1x71 h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x71 h LYS 98 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1x71 h LYS 98 CO 0.02 0.11 0.00 -1.13 -0.57 0.00 0.00 179.45 177.88 1x71 n SER 99 N -4.10 0.03 -4.09 0.86 3.41 -0.96 -4.58 113.62 104.19 1x71 n SER 99 Ca -0.02 -1.76 -0.32 0.00 -0.26 0.00 0.00 58.87 56.50 1x71 n SER 99 Cb 0.19 -0.02 -0.15 0.00 -0.26 0.00 0.00 64.21 63.98 1x71 n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1x71 s TYR 100 N -1.96 3.20 -0.41 7.33 1.51 -0.02 -5.07 117.35 121.92 1x71 s TYR 100 Ca 0.00 -2.18 -0.42 0.00 -1.01 0.00 0.00 57.07 53.46 1x71 s TYR 100 Cb 0.00 -1.95 -0.17 0.00 -0.11 0.00 0.00 41.96 39.74 1x71 s TYR 100 CO 0.00 -0.86 1.94 -2.30 -1.11 0.00 0.00 175.55 173.22 1x71 n PRO 101 N 4.48 0.53 -0.90 -1.71 -0.02 -1.26 -1.70 135.00 134.41 1x71 n PRO 101 Ca -0.15 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1x71 n PRO 101 Cb 0.43 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1x71 n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x71 n GLY 102 N 5.74 0.42 3.53 -1.23 0.00 -1.26 -4.86 105.19 107.52 1x71 n GLY 102 Ca 0.40 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 1x71 n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x71 s LEU 103 N 0.00 4.51 0.00 0.99 2.96 -0.69 -1.03 118.68 125.42 1x71 s LEU 103 Ca 0.00 -0.27 0.13 0.00 -0.22 0.00 0.00 54.13 53.77 1x71 s LEU 103 Cb 0.00 -2.57 -0.11 0.00 0.50 0.00 0.00 46.19 44.01 1x71 s LEU 103 CO 0.00 -0.58 0.60 0.35 -1.32 0.00 0.00 176.35 175.40 1x71 n THR 104 N 5.55 0.00 -3.67 3.68 -2.24 -0.59 -4.78 114.28 112.23 1x71 n THR 104 Ca -0.05 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.35 1x71 n THR 104 Cb 0.48 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.67 1x71 n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1x71 s SER 105 N -2.09 -0.41 -0.29 3.42 0.15 -1.20 -4.94 113.70 108.34 1x71 s SER 105 Ca 0.06 0.47 -0.12 0.00 0.70 0.00 0.00 55.95 57.06 1x71 s SER 105 Cb 0.10 0.53 0.12 0.00 -1.71 0.00 0.00 66.02 65.06 1x71 s SER 105 CO 0.49 -0.44 0.71 -0.47 1.20 0.00 0.00 173.24 174.73 1x71 s TYR 106 N -0.96 -1.17 -0.00 3.44 6.14 -1.26 -1.51 117.35 122.03 1x71 s TYR 106 Ca -0.10 2.10 0.01 0.00 0.64 0.00 0.00 57.07 59.71 1x71 s TYR 106 Cb -0.03 0.70 -0.00 0.00 0.42 0.00 0.00 41.96 43.05 1x71 s TYR 106 CO 0.05 -0.58 -0.02 -1.17 0.64 0.00 0.00 175.55 174.48 1x71 s LEU 107 N 2.48 1.99 -0.05 6.97 2.96 0.82 -4.03 118.68 129.82 1x71 s LEU 107 Ca -0.07 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.86 1x71 s LEU 107 Cb -0.09 -0.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.49 1x71 s LEU 107 CO -0.19 0.02 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.96 1x71 s VAL 108 N -0.02 1.77 -0.10 1.68 1.01 0.46 -1.22 120.40 123.98 1x71 s VAL 108 Ca 0.01 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1x71 s VAL 108 Cb -0.01 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.91 1x71 s VAL 108 CO -0.00 0.50 0.02 -0.60 0.00 0.00 0.00 175.10 175.02 1x71 s ARG 109 N -0.14 0.48 -0.42 2.72 3.52 0.47 -0.73 118.95 124.84 1x71 s ARG 109 Ca -0.02 0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.32 1x71 s ARG 109 Cb -0.12 -1.19 0.02 0.00 -1.56 0.00 0.00 34.95 32.10 1x71 s ARG 109 CO 0.02 -0.40 1.21 0.08 -0.81 0.00 0.00 175.30 175.41 1x71 s VAL 110 N 1.99 4.17 -0.07 7.11 1.01 -0.56 -0.03 120.40 134.03 1x71 s VAL 110 Ca 0.04 1.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.99 1x71 s VAL 110 Cb -0.13 -4.43 -0.23 0.00 0.00 0.00 0.00 36.38 31.59 1x71 s VAL 110 CO -0.06 -0.81 1.04 0.58 0.00 0.00 0.00 175.10 175.85 1x71 h VAL 111 N 6.19 1.56 -2.60 2.92 2.07 -1.29 0.32 116.25 125.42 1x71 h VAL 111 Ca -0.24 -1.78 0.01 0.00 0.82 0.00 0.00 66.70 65.50 1x71 h VAL 111 Cb 1.08 2.73 -0.14 0.00 -1.52 0.00 0.00 31.29 33.43 1x71 h VAL 111 CO 1.09 0.47 0.29 -0.94 0.02 0.00 0.00 177.57 178.51 1x71 s SER 112 N -6.08 -0.53 -0.15 0.57 1.04 -1.14 -2.18 113.70 105.24 1x71 s SER 112 Ca -0.17 0.14 -0.30 0.00 0.48 0.00 0.00 55.95 56.10 1x71 s SER 112 Cb 0.00 0.53 0.13 0.00 0.10 0.00 0.00 66.02 66.78 1x71 s SER 112 CO 0.70 -0.80 1.02 0.28 0.98 0.00 0.00 173.24 175.43 1x71 s THR 113 N -3.05 0.00 -0.80 2.02 -1.32 -1.26 -0.80 115.64 110.43 1x71 s THR 113 Ca -0.00 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.61 1x71 s THR 113 Cb -0.01 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.38 1x71 s THR 113 CO -0.08 0.00 1.33 -0.46 -2.21 0.00 0.00 174.62 173.20 1x71 n ASN 114 N 0.54 3.29 0.00 8.08 6.94 -0.81 -5.00 115.26 128.30 1x71 n ASN 114 Ca -0.09 -2.26 0.00 0.00 -0.02 0.00 0.00 54.58 52.21 1x71 n ASN 114 Cb 0.58 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 1x71 n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1x71 n TYR 115 N 0.35 0.00 0.91 -2.53 4.01 -1.25 -4.45 117.16 114.20 1x71 n TYR 115 Ca 0.15 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.00 1x71 n TYR 115 Cb 0.57 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.65 1x71 n TYR 115 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1x71 n ASN 116 N 1.14 0.72 0.00 7.72 3.02 -1.26 -4.76 115.26 121.84 1x71 n ASN 116 Ca 0.00 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 1x71 n ASN 116 Cb 0.00 0.68 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 1x71 n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x71 n GLN 117 N -1.60 0.00 -3.89 3.52 6.02 -1.26 -4.72 117.38 115.45 1x71 n GLN 117 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.95 1x71 n GLN 117 Cb 0.35 -0.31 -0.08 0.00 1.02 0.00 0.00 30.24 31.23 1x71 n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1x71 s HIS 118 N -1.84 0.21 0.10 1.08 -3.43 -1.26 -0.38 115.29 109.76 1x71 s HIS 118 Ca 0.00 -0.65 -0.16 0.00 -0.80 0.00 0.00 55.06 53.45 1x71 s HIS 118 Cb 0.00 -0.10 0.03 0.00 -1.43 0.00 0.00 32.58 31.08 1x71 s HIS 118 CO 0.00 -0.53 0.39 0.00 -2.00 0.00 0.00 174.74 172.60 1x71 s ALA 119 N -3.87 -0.90 -0.06 -1.38 0.00 -0.65 -1.92 121.76 112.97 1x71 s ALA 119 Ca 0.06 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1x71 s ALA 119 Cb 0.05 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.76 1x71 s ALA 119 CO -0.11 -0.58 -0.12 -1.64 0.00 0.00 0.00 175.76 173.32 1x71 s MET 120 N -3.40 1.54 -0.02 0.00 -1.94 0.02 0.08 119.30 115.58 1x71 s MET 120 Ca 0.01 -0.40 0.01 0.00 -1.71 0.00 0.00 55.69 53.60 1x71 s MET 120 Cb 0.01 -1.31 0.01 0.00 2.01 0.00 0.00 34.83 35.55 1x71 s MET 120 CO -0.09 0.05 -0.05 0.08 -0.01 0.00 0.00 175.02 175.00 1x71 s VAL 121 N 0.55 0.49 -0.12 -6.03 1.01 -0.72 -1.17 120.40 114.41 1x71 s VAL 121 Ca -0.12 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 1x71 s VAL 121 Cb -0.14 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1x71 s VAL 121 CO 0.03 0.18 0.12 0.12 0.00 0.00 0.00 175.10 175.54 1x71 s PHE 122 N 0.39 3.50 -0.03 5.22 2.19 0.96 -0.94 117.98 129.28 1x71 s PHE 122 Ca -0.05 0.44 0.02 0.00 0.33 0.00 0.00 56.93 57.68 1x71 s PHE 122 Cb -0.09 -1.94 0.00 0.00 -1.31 0.00 0.00 43.02 39.68 1x71 s PHE 122 CO -0.00 0.64 -0.09 -0.06 1.83 0.00 0.00 175.22 177.53 1x71 s PHE 123 N -0.83 0.97 -0.02 10.12 0.08 -0.49 -0.40 117.98 127.42 1x71 s PHE 123 Ca 0.14 -0.24 -0.00 0.00 0.12 0.00 0.00 56.93 56.94 1x71 s PHE 123 Cb -0.12 -0.69 0.02 0.00 -0.57 0.00 0.00 43.02 41.66 1x71 s PHE 123 CO 0.03 -0.10 0.03 0.21 -0.10 0.00 0.00 175.22 175.29 1x71 s LYS 124 N 0.20 -0.01 0.06 0.44 2.20 -0.36 -1.37 119.74 120.89 1x71 s LYS 124 Ca -0.03 0.13 -0.06 0.00 -0.36 0.00 0.00 55.97 55.65 1x71 s LYS 124 Cb -0.09 -0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.08 1x71 s LYS 124 CO 0.01 -0.10 0.10 -1.59 -0.36 0.00 0.00 175.35 173.40 1x71 s LYS 125 N 0.66 0.68 -0.22 4.03 -2.85 0.47 -0.13 119.74 122.37 1x71 s LYS 125 Ca -0.05 -0.91 -0.01 0.00 -1.00 0.00 0.00 55.97 53.99 1x71 s LYS 125 Cb -0.08 0.26 0.02 0.00 -2.06 0.00 0.00 37.83 35.97 1x71 s LYS 125 CO -0.02 -0.18 -0.11 0.08 0.10 0.00 0.00 175.35 175.22 1x71 s VAL 126 N -3.28 2.66 -0.07 1.79 1.01 -0.57 -0.78 120.40 121.16 1x71 s VAL 126 Ca 0.01 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1x71 s VAL 126 Cb 0.03 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1x71 s VAL 126 CO -0.08 0.36 -0.10 -0.55 0.00 0.00 0.00 175.10 174.73 1x71 s SER 127 N 1.34 1.79 -1.48 3.32 0.15 -0.78 -1.54 113.70 116.49 1x71 s SER 127 Ca 0.03 -0.28 -0.08 0.00 0.70 0.00 0.00 55.95 56.31 1x71 s SER 127 Cb -0.15 -0.79 0.06 0.00 -1.71 0.00 0.00 66.02 63.43 1x71 s SER 127 CO -0.07 -0.01 0.74 0.00 1.20 0.00 0.00 173.24 175.10 1x71 n GLN 128 N 4.10 -4.37 -1.41 5.44 1.13 -0.20 -1.31 117.38 120.76 1x71 n GLN 128 Ca -0.21 0.51 -0.11 0.00 -1.94 0.00 0.00 57.00 55.25 1x71 n GLN 128 Cb 0.51 -5.10 -0.04 0.00 0.11 0.00 0.00 30.24 25.72 1x71 n GLN 128 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x71 n ASN 129 N -2.89 -2.94 -4.69 1.08 4.13 -1.26 -4.97 115.26 103.72 1x71 n ASN 129 Ca -0.12 0.27 -0.33 0.00 1.68 0.00 0.00 54.58 56.08 1x71 n ASN 129 Cb 0.59 -2.80 -0.09 0.00 -1.54 0.00 0.00 39.78 35.94 1x71 n ASN 129 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1x71 s ARG 130 N -3.10 2.85 -0.35 3.52 0.52 -0.43 -5.10 118.95 116.86 1x71 s ARG 130 Ca 0.00 -0.55 -0.15 0.00 -0.52 0.00 0.00 55.73 54.50 1x71 s ARG 130 Cb 0.00 -2.71 -0.01 0.00 0.52 0.00 0.00 34.95 32.75 1x71 s ARG 130 CO 0.00 0.65 0.37 -2.00 0.02 0.00 0.00 175.30 174.34 1x71 s GLU 131 N -1.40 3.50 -0.01 3.54 2.12 -1.26 -1.86 118.70 123.33 1x71 s GLU 131 Ca 0.18 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.06 1x71 s GLU 131 Cb -0.11 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 1x71 s GLU 131 CO 0.08 -0.57 0.01 0.71 -0.54 0.00 0.00 175.26 174.95 1x71 s TYR 132 N 2.04 3.11 -0.01 5.30 1.51 0.04 -4.69 117.35 124.64 1x71 s TYR 132 Ca 0.12 0.10 -0.05 0.00 -1.01 0.00 0.00 57.07 56.23 1x71 s TYR 132 Cb -0.17 -1.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.00 1x71 s TYR 132 CO 0.12 0.47 0.11 -0.59 -1.11 0.00 0.00 175.55 174.55 1x71 s PHE 133 N -1.09 0.02 0.13 2.71 -0.71 -1.26 -0.40 117.98 117.39 1x71 s PHE 133 Ca 0.20 -0.05 -0.08 0.00 -1.04 0.00 0.00 56.93 55.95 1x71 s PHE 133 Cb -0.12 -0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.64 1x71 s PHE 133 CO 0.10 -0.21 0.23 -1.59 -1.34 0.00 0.00 175.22 172.42 1x71 s LYS 134 N -0.95 1.02 -0.06 1.99 -2.85 -0.47 -1.40 119.74 117.02 1x71 s LYS 134 Ca -0.10 -1.12 0.02 0.00 -1.00 0.00 0.00 55.97 53.77 1x71 s LYS 134 Cb -0.06 0.35 0.01 0.00 -2.06 0.00 0.00 37.83 36.07 1x71 s LYS 134 CO 0.01 -0.35 -0.12 0.42 0.10 0.00 0.00 175.35 175.40 1x71 s ILE 135 N -3.94 1.13 -0.01 3.79 1.09 0.12 -1.39 121.20 122.00 1x71 s ILE 135 Ca 0.13 -0.49 -0.01 0.00 -1.10 0.00 0.00 60.65 59.19 1x71 s ILE 135 Cb 0.04 -1.03 -0.04 0.00 -1.06 0.00 0.00 42.46 40.38 1x71 s ILE 135 CO -0.04 0.35 0.09 0.42 -0.10 0.00 0.00 174.94 175.67 1x71 s THR 136 N 0.59 4.82 -0.32 2.92 -4.23 -0.11 -1.23 115.64 118.08 1x71 s THR 136 Ca -0.13 -0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 59.94 1x71 s THR 136 Cb -0.15 -3.20 0.02 0.00 1.34 0.00 0.00 72.50 70.50 1x71 s THR 136 CO 0.03 0.36 0.11 -0.22 -0.54 0.00 0.00 174.62 174.37 1x71 s LEU 137 N -1.73 4.12 -0.11 4.79 0.20 0.82 -1.75 118.68 125.02 1x71 s LEU 137 Ca 0.23 -0.83 -0.05 0.00 0.69 0.00 0.00 54.13 54.17 1x71 s LEU 137 Cb -0.12 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.69 1x71 s LEU 137 CO 0.14 -0.25 0.11 -0.31 -0.29 0.00 0.00 176.35 175.74 1x71 s TYR 138 N 1.50 3.49 0.07 5.38 2.02 0.11 -0.87 117.35 129.05 1x71 s TYR 138 Ca 0.02 0.44 0.07 0.00 -0.37 0.00 0.00 57.07 57.23 1x71 s TYR 138 Cb -0.18 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.45 1x71 s TYR 138 CO 0.04 0.67 -0.20 0.20 -1.57 0.00 0.00 175.55 174.68 1x71 s GLY 139 N -1.04 1.14 0.33 0.71 0.00 0.11 -1.64 107.32 106.93 1x71 s GLY 139 Ca 0.15 -1.13 0.16 0.00 0.00 0.00 0.00 44.72 43.90 1x71 s GLY 139 CO 0.04 -1.10 1.65 3.21 0.00 0.00 0.00 173.10 176.91 1x71 h ARG 140 N 4.48 0.00 -5.52 2.90 -0.00 -1.00 -0.01 114.38 115.23 1x71 h ARG 140 Ca -0.44 0.00 -0.64 0.00 -0.50 0.00 0.00 59.98 58.41 1x71 h ARG 140 Cb 1.17 0.00 -0.10 0.00 0.00 0.00 0.00 29.97 31.04 1x71 h ARG 140 CO 0.42 0.48 -0.47 0.95 0.00 0.00 0.00 179.97 181.35 1x71 s THR 141 N -3.50 1.53 -2.00 2.04 -4.23 -1.26 -4.75 115.64 103.47 1x71 s THR 141 Ca 0.00 -1.84 0.20 0.00 -1.18 0.00 0.00 61.69 58.88 1x71 s THR 141 Cb 0.11 -2.37 0.58 0.00 1.34 0.00 0.00 72.50 72.16 1x71 s THR 141 CO 0.72 0.00 1.71 0.29 -0.54 0.00 0.00 174.62 176.80 1x71 n LYS 142 N -1.34 0.88 -4.27 3.99 5.02 -1.26 -4.68 118.16 116.49 1x71 n LYS 142 Ca -0.11 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.00 1x71 n LYS 142 Cb 0.66 -1.36 -0.13 0.00 -0.02 0.00 0.00 35.03 34.17 1x71 n LYS 142 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1x71 s GLU 143 N -2.00 0.76 0.14 1.97 0.41 -1.26 -4.87 118.70 113.85 1x71 s GLU 143 Ca 0.31 -0.63 0.02 0.00 -0.41 0.00 0.00 54.97 54.26 1x71 s GLU 143 Cb 0.14 -0.71 -0.04 0.00 -1.78 0.00 0.00 34.13 31.73 1x71 s GLU 143 CO 0.24 0.17 -0.04 -0.51 -0.49 0.00 0.00 175.26 174.64 1x71 s LEU 144 N -0.98 2.31 0.74 1.80 1.43 -1.26 -4.91 118.68 117.80 1x71 s LEU 144 Ca -0.01 -1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 51.86 1x71 s LEU 144 Cb -0.07 -0.10 0.04 0.00 0.03 0.00 0.00 46.19 46.09 1x71 s LEU 144 CO 0.01 -0.50 1.19 0.42 0.23 0.00 0.00 176.35 177.69 1x71 s THR 145 N -3.60 2.43 0.27 5.49 -4.23 -1.26 -4.85 115.64 109.89 1x71 s THR 145 Ca 0.19 0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 1x71 s THR 145 Cb 0.05 -2.72 0.25 0.00 1.34 0.00 0.00 72.50 71.42 1x71 s THR 145 CO 0.00 -0.12 1.78 0.28 -0.54 0.00 0.00 174.62 176.03 1x71 h SER 146 N -0.39 0.65 -0.32 3.99 0.02 -2.00 -1.24 113.55 114.25 1x71 h SER 146 Ca -0.47 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 1x71 h SER 146 Cb 1.29 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1x71 h SER 146 CO 0.50 0.30 0.13 -0.08 -1.14 0.00 0.00 176.83 176.54 1x71 h GLU 147 N 0.73 0.48 -0.43 3.45 4.81 -1.99 -0.35 114.58 121.27 1x71 h GLU 147 Ca 0.47 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.52 1x71 h GLU 147 Cb 0.60 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1x71 h GLU 147 CO -0.33 0.48 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.27 1x71 h LEU 148 N 0.37 0.74 -0.43 1.64 3.38 -1.78 0.19 115.31 119.42 1x71 h LEU 148 Ca 0.11 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1x71 h LEU 148 Cb 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1x71 h LEU 148 CO -0.01 0.87 0.01 0.11 0.09 0.00 0.00 178.44 179.51 1x71 h LYS 149 N 0.69 0.76 -0.44 1.13 1.57 -0.87 -1.24 116.57 118.18 1x71 h LYS 149 Ca 0.12 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 1x71 h LYS 149 Cb 0.56 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1x71 h LYS 149 CO 0.03 0.83 -0.20 0.93 -0.57 0.00 0.00 179.45 180.47 1x71 h GLU 150 N 0.60 0.86 -0.57 3.15 5.08 -0.95 -1.16 114.58 121.59 1x71 h GLU 150 Ca 0.12 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1x71 h GLU 150 Cb 0.48 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1x71 h GLU 150 CO 0.02 0.98 0.35 -0.97 -1.00 0.00 0.00 179.01 178.40 1x71 h ASN 151 N 0.75 0.68 -0.06 1.42 -1.24 -0.62 -1.05 115.58 115.46 1x71 h ASN 151 Ca 0.11 -0.03 -0.19 0.00 0.71 0.00 0.00 56.30 56.90 1x71 h ASN 151 Cb 0.73 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1x71 h ASN 151 CO 0.06 0.51 -0.65 0.15 -1.29 0.00 0.00 177.43 176.21 1x71 h PHE 152 N 0.79 0.88 -0.48 0.67 3.04 -0.60 -1.58 116.94 119.66 1x71 h PHE 152 Ca 0.21 -0.35 -0.02 0.00 3.98 0.00 0.00 57.97 61.79 1x71 h PHE 152 Cb -0.04 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.29 1x71 h PHE 152 CO 0.00 1.14 0.22 0.82 -2.02 0.00 0.00 178.31 178.47 1x71 h ILE 153 N 0.49 1.19 -0.81 1.41 2.04 -0.87 -0.70 117.51 120.27 1x71 h ILE 153 Ca -0.02 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 1x71 h ILE 153 Cb 1.24 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1x71 h ILE 153 CO 0.13 0.22 0.33 -0.09 0.00 0.00 0.00 178.15 178.74 1x71 h ARG 154 N 0.63 1.20 -0.31 2.37 2.43 -1.12 -0.41 114.38 119.17 1x71 h ARG 154 Ca 0.16 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 1x71 h ARG 154 Cb 0.14 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1x71 h ARG 154 CO -0.02 0.97 -0.20 0.35 -1.51 0.00 0.00 179.97 179.56 1x71 h PHE 155 N 1.18 0.80 -0.60 2.20 3.57 -1.04 -0.85 116.94 122.19 1x71 h PHE 155 Ca 0.27 -0.21 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1x71 h PHE 155 Cb 0.21 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1x71 h PHE 155 CO 0.02 0.93 0.38 0.77 -2.23 0.00 0.00 178.31 178.18 1x71 h SER 156 N 0.44 0.64 -0.27 0.41 0.02 -0.85 -1.78 113.55 112.16 1x71 h SER 156 Ca 0.06 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1x71 h SER 156 Cb 0.74 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1x71 h SER 156 CO 0.06 0.46 -0.25 0.11 -1.14 0.00 0.00 176.83 176.06 1x71 h LYS 157 N 0.76 0.76 0.00 3.45 1.57 -0.99 -1.82 116.57 120.30 1x71 h LYS 157 Ca 0.23 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1x71 h LYS 157 Cb -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1x71 h LYS 157 CO -0.07 0.93 0.00 0.66 -0.57 0.00 0.00 179.45 180.39 1x71 h SER 158 N 0.65 0.00 -0.43 0.86 4.64 -0.26 0.50 113.55 119.50 1x71 h SER 158 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1x71 h SER 158 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1x71 h SER 158 CO 0.06 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.20 1x71 n LEU 159 N -2.38 3.01 0.00 5.97 4.77 -0.72 -4.93 117.00 122.72 1x71 n LEU 159 Ca -0.01 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 1x71 n LEU 159 Cb 0.10 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1x71 n LEU 159 CO 0.14 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1x71 n GLY 160 N 1.41 0.86 3.71 -0.72 0.00 0.17 -4.53 105.19 106.10 1x71 n GLY 160 Ca 0.19 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1x71 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x71 s LEU 161 N 0.00 4.21 0.64 0.99 1.43 -0.98 -4.99 118.68 119.98 1x71 s LEU 161 Ca 0.00 0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 1x71 s LEU 161 Cb 0.00 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 1x71 s LEU 161 CO 0.00 0.09 1.04 -2.16 0.23 0.00 0.00 176.35 175.55 1x71 s PRO 162 N 0.61 3.40 0.34 1.29 0.04 -1.26 -3.75 135.00 135.67 1x71 s PRO 162 Ca 0.14 0.66 0.13 0.00 0.04 0.00 0.00 61.00 61.98 1x71 s PRO 162 Cb -0.13 -2.07 1.03 0.00 0.04 0.00 0.00 34.50 33.37 1x71 s PRO 162 CO 0.03 -0.69 1.68 0.93 0.04 0.00 0.00 177.00 179.00 1x71 h GLU 163 N -0.40 0.39 0.00 4.56 4.39 -1.97 0.22 114.58 121.77 1x71 h GLU 163 Ca -0.44 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1x71 h GLU 163 Cb 1.21 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1x71 h GLU 163 CO 0.62 0.26 0.00 0.27 -1.16 0.00 0.00 179.01 179.00 1x71 n ASN 164 N -5.00 0.00 -1.30 1.42 6.94 -1.26 -1.78 115.26 114.28 1x71 n ASN 164 Ca 0.30 -0.00 0.08 0.00 -0.02 0.00 0.00 54.58 54.95 1x71 n ASN 164 Cb 0.92 -0.25 0.31 0.00 -2.36 0.00 0.00 39.78 38.39 1x71 n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1x71 n HIS 165 N -1.25 1.25 -4.04 -2.53 8.25 0.79 -1.83 115.22 115.85 1x71 n HIS 165 Ca 0.08 -0.66 -0.31 0.00 -0.26 0.00 0.00 57.72 56.56 1x71 n HIS 165 Cb 0.11 -0.25 -0.16 0.00 1.12 0.00 0.00 29.99 30.82 1x71 n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1x71 s ILE 166 N -2.00 1.82 0.20 1.59 1.01 -0.74 -1.95 121.20 121.13 1x71 s ILE 166 Ca 0.45 -1.03 0.10 0.00 0.00 0.00 0.00 60.65 60.17 1x71 s ILE 166 Cb 0.30 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1x71 s ILE 166 CO 0.19 0.28 -0.19 0.68 0.00 0.00 0.00 174.94 175.90 1x71 s VAL 167 N 1.34 2.08 -0.41 2.92 -7.23 0.19 -4.86 120.40 114.42 1x71 s VAL 167 Ca 0.00 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.11 1x71 s VAL 167 Cb -0.15 -2.04 0.11 0.00 0.56 0.00 0.00 36.38 34.86 1x71 s VAL 167 CO -0.09 -0.33 0.14 -0.36 -0.31 0.00 0.00 175.10 174.15 1x71 s PHE 168 N -2.19 3.36 0.28 2.82 0.40 -1.26 -1.00 117.98 120.38 1x71 s PHE 168 Ca 0.21 -2.99 -0.27 0.00 -0.60 0.00 0.00 56.93 53.28 1x71 s PHE 168 Cb -0.05 -2.78 -0.15 0.00 0.51 0.00 0.00 43.02 40.55 1x71 s PHE 168 CO 0.09 -0.86 0.83 -2.30 0.70 0.00 0.00 175.22 173.69 1x71 n PRO 169 N 3.79 0.91 -3.00 0.24 -0.02 -1.26 -4.91 135.00 130.76 1x71 n PRO 169 Ca 0.04 0.32 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 1x71 n PRO 169 Cb 0.38 -1.58 -0.05 0.00 -0.02 0.00 0.00 33.50 32.22 1x71 n PRO 169 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1x71 s VAL 170 N -1.08 4.78 0.32 -1.45 0.11 -0.29 -4.48 120.40 118.30 1x71 s VAL 170 Ca 0.61 1.60 -0.29 0.00 -2.93 0.00 0.00 61.98 60.96 1x71 s VAL 170 Cb -0.75 -4.10 -0.11 0.00 -1.53 0.00 0.00 36.38 29.89 1x71 s VAL 170 CO 0.59 0.35 1.54 -2.84 -3.33 0.00 0.00 175.10 171.40 1x71 s PRO 171 N 0.06 4.14 0.33 1.54 0.02 -1.26 -1.16 135.00 138.67 1x71 s PRO 171 Ca 0.38 2.54 0.04 0.00 0.02 0.00 0.00 61.00 63.98 1x71 s PRO 171 Cb -0.20 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.27 1x71 s PRO 171 CO 0.22 -0.57 0.17 0.96 -0.33 0.00 0.00 177.00 177.46 1x71 s ILE 172 N -0.41 0.32 -0.03 2.83 -4.36 -1.26 -4.89 121.20 113.40 1x71 s ILE 172 Ca 0.59 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 59.05 1x71 s ILE 172 Cb -0.47 -2.48 -0.10 0.00 1.25 0.00 0.00 42.46 40.66 1x71 s ILE 172 CO 0.53 0.00 0.10 0.47 0.24 0.00 0.00 174.94 176.28 1x71 n ASP 173 N -1.10 3.36 -4.77 4.36 8.00 -1.26 -4.89 116.55 120.25 1x71 n ASP 173 Ca 0.01 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.10 1x71 n ASP 173 Cb 0.64 1.06 -0.02 0.00 -0.02 0.00 0.00 41.12 42.79 1x71 n ASP 173 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1x71 s GLN 174 N -2.36 4.32 0.00 -1.24 -1.52 -1.26 -4.11 119.66 113.49 1x71 s GLN 174 Ca -0.03 2.21 0.00 0.00 -1.95 0.00 0.00 55.36 55.59 1x71 s GLN 174 Cb 0.04 -3.04 0.00 0.00 -0.22 0.00 0.00 33.01 29.79 1x71 s GLN 174 CO 0.29 -0.22 0.00 0.00 -0.25 0.00 0.00 175.29 175.11 1x71 n ILE 176 N 0.00 0.00 1.11 0.00 -5.35 -1.26 -4.95 119.36 108.91 1x71 n ILE 176 Ca 0.00 -0.05 0.12 0.00 -0.27 0.00 0.00 62.75 62.55 1x71 n ILE 176 Cb 0.00 -0.01 0.19 0.00 -1.74 0.00 0.00 39.64 38.08 1x71 n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26