#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m85 h PRO 2 N 0.00 0.01 0.00 0.03 0.14 -2.08 -3.30 132.00 126.79 3m85 h PRO 2 Ca 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 66.00 66.12 3m85 h PRO 2 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 31.00 31.15 3m85 h PRO 2 CO 0.00 0.59 0.00 -0.85 0.14 0.00 0.00 178.00 177.88 3m85 n GLU 3 N -3.10 0.68 -0.07 0.86 0.00 -1.26 -3.32 120.64 114.43 3m85 n GLU 3 Ca -0.15 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.04 3m85 n GLU 3 Cb 1.04 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 31.04 3m85 n GLU 3 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3m85 n ASP 4 N -1.00 2.33 -0.05 -1.84 5.75 -1.24 -4.16 116.55 116.34 3m85 n ASP 4 Ca 0.16 -2.17 -0.13 0.00 -0.01 0.00 0.00 54.79 52.64 3m85 n ASP 4 Cb 0.07 -0.13 -0.08 0.00 -1.03 0.00 0.00 41.12 39.96 3m85 n ASP 4 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3m85 h ILE 5 N 0.52 1.35 -0.70 2.12 2.04 -1.72 -1.61 117.51 119.51 3m85 h ILE 5 Ca 0.00 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.59 3m85 h ILE 5 Cb 0.65 1.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 3m85 h ILE 5 CO 0.01 0.37 0.45 -0.07 0.00 0.00 0.00 178.15 178.91 3m85 h LEU 6 N -0.10 0.82 0.32 1.44 3.38 -1.80 -2.76 115.31 116.62 3m85 h LEU 6 Ca 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3m85 h LEU 6 Cb 0.64 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3m85 h LEU 6 CO 0.03 0.61 -0.27 0.58 0.09 0.00 0.00 178.44 179.48 3m85 h VAL 7 N 0.96 0.43 -0.99 1.22 2.07 -1.72 -2.53 116.25 115.69 3m85 h VAL 7 Ca 0.26 0.00 0.24 0.00 0.82 0.00 0.00 66.70 68.01 3m85 h VAL 7 Cb -0.08 0.43 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 3m85 h VAL 7 CO -0.05 0.00 0.64 0.44 0.02 0.00 0.00 177.57 178.62 3m85 h ASP 8 N -0.60 0.47 0.33 0.57 3.45 -1.07 0.77 116.42 120.35 3m85 h ASP 8 Ca -0.02 0.07 -0.02 0.00 0.43 0.00 0.00 57.03 57.49 3m85 h ASP 8 Cb 0.54 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 3m85 h ASP 8 CO -0.03 0.14 -0.16 0.40 -1.57 0.00 0.00 179.24 178.02 3m85 h ILE 9 N 0.45 0.54 -0.93 0.35 5.03 -1.21 -2.78 117.51 118.94 3m85 h ILE 9 Ca 0.55 -0.71 0.24 0.00 -0.12 0.00 0.00 64.86 64.82 3m85 h ILE 9 Cb 1.32 0.83 -0.06 0.00 -3.03 0.00 0.00 36.82 35.88 3m85 h ILE 9 CO -0.26 0.11 0.64 0.50 -0.68 0.00 0.00 178.15 178.45 3m85 h LYS 10 N -0.91 0.24 -0.61 2.37 1.63 -0.84 0.37 116.57 118.82 3m85 h LYS 10 Ca -0.05 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.75 3m85 h LYS 10 Cb 0.52 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.07 3m85 h LYS 10 CO 0.08 0.16 0.41 -0.09 -3.45 0.00 0.00 179.45 176.55 3m85 h ARG 11 N 0.25 0.80 -0.51 1.90 2.43 -0.74 -0.99 114.38 117.53 3m85 h ARG 11 Ca 0.48 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.66 3m85 h ARG 11 Cb 1.45 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.77 3m85 h ARG 11 CO -0.13 0.53 0.20 -0.44 -1.51 0.00 0.00 179.97 178.62 3m85 h ASP 12 N 0.83 0.24 0.24 -3.80 3.45 -0.02 0.05 116.42 117.40 3m85 h ASP 12 Ca 0.23 0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.73 3m85 h ASP 12 Cb -0.09 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 3m85 h ASP 12 CO -0.05 0.16 -0.12 0.22 -1.57 0.00 0.00 179.24 177.89 3m85 h TYR 13 N 0.40 -0.30 -0.92 4.55 3.20 -0.96 0.68 116.97 123.61 3m85 h TYR 13 Ca 0.24 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.32 3m85 h TYR 13 Cb 0.23 0.10 -0.12 0.00 1.54 0.00 0.00 36.73 38.48 3m85 h TYR 13 CO -0.14 0.04 0.46 0.28 -1.64 0.00 0.00 178.16 177.16 3m85 h VAL 14 N -0.68 0.53 -0.23 1.81 2.07 -1.09 0.45 116.25 119.10 3m85 h VAL 14 Ca -0.03 -0.17 -0.19 0.00 0.82 0.00 0.00 66.70 67.13 3m85 h VAL 14 Cb 0.48 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3m85 h VAL 14 CO 0.05 0.09 -0.61 -0.07 0.02 0.00 0.00 177.57 177.05 3m85 h LEU 15 N 0.49 0.94 -1.81 2.57 3.38 -0.25 -0.12 115.31 120.51 3m85 h LEU 15 Ca 0.57 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m85 h LEU 15 Cb 1.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3m85 h LEU 15 CO -0.49 1.34 -0.00 0.77 0.09 0.00 0.00 178.44 180.15 3m85 h SER 16 N 0.58 0.00 0.02 -0.43 4.64 0.13 -1.66 113.55 116.82 3m85 h SER 16 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3m85 h SER 16 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3m85 h SER 16 CO 0.13 0.00 -0.01 0.50 -0.87 0.00 0.00 176.83 176.58 3m85 h LYS 17 N 0.00 -0.02 -1.03 4.77 1.63 -0.66 -3.31 116.57 117.95 3m85 h LYS 17 Ca -0.00 0.00 0.26 0.00 -0.85 0.00 0.00 60.65 60.06 3m85 h LYS 17 Cb 0.40 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.93 3m85 h LYS 17 CO 0.00 0.62 0.65 1.25 -3.45 0.00 0.00 179.45 178.52 3m85 h LEU 18 N -0.97 0.53 -1.00 5.20 6.46 -0.70 0.17 115.31 125.00 3m85 h LEU 18 Ca -0.00 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 3m85 h LEU 18 Cb 0.65 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.56 3m85 h LEU 18 CO 0.00 0.10 0.42 0.03 -0.62 0.00 0.00 178.44 178.37 3m85 h ARG 19 N 0.46 1.12 0.00 1.25 3.08 -1.42 0.83 114.38 119.71 3m85 h ARG 19 Ca 0.61 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.52 3m85 h ARG 19 Cb 1.41 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3m85 h ARG 19 CO -0.36 0.84 0.00 -3.47 -1.07 0.00 0.00 179.97 175.91 3m85 n ASP 20 N -4.33 0.00 -3.28 7.04 2.03 0.56 -4.91 116.55 113.65 3m85 n ASP 20 Ca 0.08 -1.56 -0.14 0.00 0.52 0.00 0.00 54.79 53.69 3m85 n ASP 20 Cb 0.11 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.56 3m85 n ASP 20 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3m85 n ASN 21 N -0.62 -6.71 -3.67 1.67 5.15 0.29 -5.03 115.26 106.34 3m85 n ASN 21 Ca 0.05 -0.59 -0.14 0.00 -0.60 0.00 0.00 54.58 53.30 3m85 n ASN 21 Cb 0.02 -4.84 -0.08 0.00 -0.53 0.00 0.00 39.78 34.35 3m85 n ASN 21 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3m85 s GLU 22 N -4.27 0.71 0.50 1.20 2.02 -1.11 -4.98 118.70 112.76 3m85 s GLU 22 Ca 0.32 0.71 -0.02 0.00 0.02 0.00 0.00 54.97 56.01 3m85 s GLU 22 Cb -0.06 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.52 3m85 s GLU 22 CO 0.77 -0.11 0.75 1.03 0.02 0.00 0.00 175.26 177.72 3m85 s ARG 23 N 0.09 3.02 0.40 1.61 0.52 -1.26 -3.12 118.95 120.21 3m85 s ARG 23 Ca -0.02 -0.33 0.28 0.00 -0.52 0.00 0.00 55.73 55.15 3m85 s ARG 23 Cb -0.04 -2.46 1.29 0.00 0.52 0.00 0.00 34.95 34.25 3m85 s ARG 23 CO 0.02 -0.41 1.85 -0.84 0.02 0.00 0.00 175.30 175.94 3m85 h ILE 24 N 0.21 0.00 -0.02 1.52 -0.00 -1.93 -3.03 117.51 114.27 3m85 h ILE 24 Ca -0.46 -0.24 0.00 0.00 -0.00 0.00 0.00 64.86 64.16 3m85 h ILE 24 Cb 1.25 1.03 0.00 0.00 -0.00 0.00 0.00 36.82 39.10 3m85 h ILE 24 CO 0.58 0.00 0.00 -0.90 -0.00 0.00 0.00 178.15 177.83 3m85 n ASP 25 N -2.57 1.48 0.00 2.16 5.75 -1.26 -5.00 116.55 117.11 3m85 n ASP 25 Ca 0.00 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 3m85 n ASP 25 Cb 0.20 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3m85 n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m85 n GLY 26 N -0.09 0.84 3.55 6.12 0.00 -1.14 -5.05 105.19 109.41 3m85 n GLY 26 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3m85 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m85 n ARG 27 N -2.00 0.30 -2.03 1.61 1.74 -1.26 -4.87 116.66 110.15 3m85 n ARG 27 Ca 0.00 0.16 -0.29 0.00 -0.77 0.00 0.00 57.85 56.95 3m85 n ARG 27 Cb 0.00 -2.07 0.06 0.00 -1.02 0.00 0.00 32.46 29.43 3m85 n ARG 27 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3m85 s GLY 28 N -1.69 1.62 0.00 -0.13 0.00 -1.26 -4.18 107.32 101.68 3m85 s GLY 28 Ca 0.69 -0.56 0.15 0.00 0.00 0.00 0.00 44.72 44.99 3m85 s GLY 28 CO 0.55 -0.17 1.30 0.69 0.00 0.00 0.00 173.10 175.46 3m85 n PHE 29 N -2.99 0.00 -1.13 1.90 3.01 -1.26 -2.12 117.46 114.87 3m85 n PHE 29 Ca 0.07 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.55 3m85 n PHE 29 Cb 0.59 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.08 3m85 n PHE 29 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3m85 n ASP 30 N -0.92 0.77 -4.50 4.37 5.68 -1.26 -2.08 116.55 118.61 3m85 n ASP 30 Ca 0.11 -1.84 -0.43 0.00 -0.50 0.00 0.00 54.79 52.13 3m85 n ASP 30 Cb 0.05 -0.13 -0.08 0.00 -1.14 0.00 0.00 41.12 39.82 3m85 n ASP 30 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3m85 s GLU 31 N -0.67 3.21 0.72 0.11 2.12 -0.90 -4.94 118.70 118.35 3m85 s GLU 31 Ca 0.05 -0.60 -0.15 0.00 0.36 0.00 0.00 54.97 54.63 3m85 s GLU 31 Cb 0.05 -3.94 0.03 0.00 0.26 0.00 0.00 34.13 30.53 3m85 s GLU 31 CO 0.01 -0.85 1.19 -0.06 -0.54 0.00 0.00 175.26 175.01 3m85 s PHE 32 N 2.30 2.13 1.17 5.30 0.40 -1.26 -4.76 117.98 123.26 3m85 s PHE 32 Ca 0.15 1.59 -0.17 0.00 -0.60 0.00 0.00 56.93 57.90 3m85 s PHE 32 Cb -0.16 -3.43 0.27 0.00 0.51 0.00 0.00 43.02 40.21 3m85 s PHE 32 CO 0.15 -2.47 1.07 1.03 0.70 0.00 0.00 175.22 175.70 3m85 s ARG 33 N -3.93 -0.95 0.93 0.44 3.00 -1.26 -5.00 118.95 112.17 3m85 s ARG 33 Ca 0.73 0.21 -0.11 0.00 0.00 0.00 0.00 55.73 56.56 3m85 s ARG 33 Cb -0.28 -1.60 0.10 0.00 0.00 0.00 0.00 34.95 33.17 3m85 s ARG 33 CO 0.45 -3.59 0.84 1.17 0.00 0.00 0.00 175.30 174.17 3m85 n LYS 34 N -4.73 -0.39 -3.81 3.54 4.81 -1.26 -4.70 118.16 111.62 3m85 n LYS 34 Ca 0.09 -0.06 -0.13 0.00 -0.87 0.00 0.00 58.31 57.35 3m85 n LYS 34 Cb 0.58 -2.16 -0.13 0.00 0.02 0.00 0.00 35.03 33.34 3m85 n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3m85 s VAL 35 N -2.53 -0.01 -0.04 3.15 1.01 -1.26 -1.89 120.40 118.84 3m85 s VAL 35 Ca 0.63 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.69 3m85 s VAL 35 Cb -0.22 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 35.98 3m85 s VAL 35 CO 0.62 0.02 -0.14 -1.61 0.00 0.00 0.00 175.10 173.99 3m85 s GLU 36 N 0.34 1.49 -0.36 2.72 2.02 -0.13 -4.95 118.70 119.84 3m85 s GLU 36 Ca -0.02 -0.49 0.04 0.00 0.02 0.00 0.00 54.97 54.51 3m85 s GLU 36 Cb -0.04 -1.32 0.10 0.00 0.10 0.00 0.00 34.13 32.98 3m85 s GLU 36 CO -0.01 0.18 0.08 0.42 0.02 0.00 0.00 175.26 175.95 3m85 s ILE 37 N 0.14 2.19 -0.26 -1.63 1.01 -1.26 -0.45 121.20 120.93 3m85 s ILE 37 Ca -0.04 -2.37 -0.12 0.00 0.00 0.00 0.00 60.65 58.12 3m85 s ILE 37 Cb -0.11 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 3m85 s ILE 37 CO 0.02 -0.63 0.23 -0.63 0.00 0.00 0.00 174.94 173.93 3m85 s ILE 38 N 0.84 5.29 0.35 2.92 1.09 0.69 -4.93 121.20 127.45 3m85 s ILE 38 Ca 0.12 0.29 -0.02 0.00 -1.10 0.00 0.00 60.65 59.94 3m85 s ILE 38 Cb -0.20 -3.57 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 3m85 s ILE 38 CO -0.09 0.26 0.59 -2.84 -0.10 0.00 0.00 174.94 172.77 3m85 s PRO 39 N 1.56 3.53 -1.04 2.79 0.02 -1.26 0.14 135.00 140.75 3m85 s PRO 39 Ca 0.10 -0.16 -0.00 0.00 0.02 0.00 0.00 61.00 60.95 3m85 s PRO 39 Cb -0.15 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 31.76 3m85 s PRO 39 CO 0.09 0.11 0.06 0.09 -0.33 0.00 0.00 177.00 177.01 3m85 n ASN 40 N -1.65 -3.97 0.16 2.53 5.03 -0.80 -4.92 115.26 111.64 3m85 n ASN 40 Ca -0.03 -0.04 0.06 0.00 0.87 0.00 0.00 54.58 55.44 3m85 n ASN 40 Cb 0.55 -3.13 0.07 0.00 -1.02 0.00 0.00 39.78 36.26 3m85 n ASN 40 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 3m85 h VAL 41 N -0.14 0.46 -3.54 2.41 -1.51 -1.81 -3.40 116.25 108.72 3m85 h VAL 41 Ca -0.30 -1.67 -0.66 0.00 -1.23 0.00 0.00 66.70 62.84 3m85 h VAL 41 Cb 1.22 2.18 -0.39 0.00 -2.13 0.00 0.00 31.29 32.16 3m85 h VAL 41 CO 0.35 0.26 -0.63 -0.63 -1.23 0.00 0.00 177.57 175.69 3m85 s ILE 42 N -3.08 2.65 0.17 7.19 1.09 -1.26 -5.01 121.20 122.96 3m85 s ILE 42 Ca 0.04 -2.72 -0.13 0.00 -1.10 0.00 0.00 60.65 56.74 3m85 s ILE 42 Cb 0.07 -2.87 0.07 0.00 -1.06 0.00 0.00 42.46 38.66 3m85 s ILE 42 CO 0.73 -0.71 1.77 -0.33 -0.10 0.00 0.00 174.94 176.30 3m85 h GLU 43 N 7.21 0.78 -0.00 2.79 3.07 -1.99 -1.52 114.58 124.93 3m85 h GLU 43 Ca -0.06 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 3m85 h GLU 43 Cb 0.97 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 3m85 h GLU 43 CO 0.62 0.61 0.00 1.63 -1.40 0.00 0.00 179.01 180.47 3m85 n LYS 44 N -4.59 0.61 -4.08 2.33 5.02 -1.26 -4.63 118.16 111.55 3m85 n LYS 44 Ca 0.03 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.05 3m85 n LYS 44 Cb 0.10 -1.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 3m85 n LYS 44 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m85 s ALA 45 N -2.00 3.55 0.26 7.82 0.00 -0.57 -5.04 121.76 125.78 3m85 s ALA 45 Ca 0.00 -1.18 0.04 0.00 0.00 0.00 0.00 51.96 50.83 3m85 s ALA 45 Cb 0.00 -1.36 0.32 0.00 0.00 0.00 0.00 23.12 22.08 3m85 s ALA 45 CO 0.00 0.56 1.62 0.93 0.00 0.00 0.00 175.76 178.87 3m85 h GLU 46 N 2.63 0.29 -3.09 0.00 3.07 -1.33 -3.45 114.58 112.70 3m85 h GLU 46 Ca -0.47 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.15 3m85 h GLU 46 Cb 1.19 0.01 -0.16 0.00 -0.84 0.00 0.00 28.75 28.95 3m85 h GLU 46 CO 0.63 0.73 -0.10 0.20 -1.40 0.00 0.00 179.01 179.07 3m85 s GLY 47 N -4.25 -0.27 -0.01 -3.84 0.00 -1.02 -1.40 107.32 96.53 3m85 s GLY 47 Ca -0.05 0.24 -0.29 0.00 0.00 0.00 0.00 44.72 44.63 3m85 s GLY 47 CO 0.79 -0.01 0.90 -1.35 0.00 0.00 0.00 173.10 173.43 3m85 s SER 48 N -2.13 -0.36 -0.06 1.64 1.04 -1.25 0.11 113.70 112.69 3m85 s SER 48 Ca -0.04 -0.00 -0.29 0.00 0.48 0.00 0.00 55.95 56.09 3m85 s SER 48 Cb -0.00 0.38 0.10 0.00 0.10 0.00 0.00 66.02 66.59 3m85 s SER 48 CO -0.04 -0.61 0.83 0.00 0.98 0.00 0.00 173.24 174.40 3m85 s ALA 49 N -3.10 -1.83 -0.16 5.32 0.00 -0.44 -1.90 121.76 119.66 3m85 s ALA 49 Ca 0.05 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3m85 s ALA 49 Cb -0.01 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.03 3m85 s ALA 49 CO -0.09 -0.44 -0.12 -1.17 0.00 0.00 0.00 175.76 173.94 3m85 s LEU 50 N -1.55 1.80 -0.07 0.00 2.96 0.38 -0.84 118.68 121.36 3m85 s LEU 50 Ca -0.03 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.26 3m85 s LEU 50 Cb -0.00 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 3m85 s LEU 50 CO 0.01 -0.10 0.04 -0.69 -1.32 0.00 0.00 176.35 174.30 3m85 s VAL 51 N 1.49 4.62 -0.14 1.68 1.01 -0.73 -0.22 120.40 128.11 3m85 s VAL 51 Ca 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 3m85 s VAL 51 Cb -0.14 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 3m85 s VAL 51 CO -0.10 0.54 -0.13 -0.54 0.00 0.00 0.00 175.10 174.87 3m85 s LYS 52 N -1.14 3.35 -0.42 2.72 1.02 0.41 -2.82 119.74 122.84 3m85 s LYS 52 Ca 0.16 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.47 3m85 s LYS 52 Cb -0.12 -2.66 0.13 0.00 -0.52 0.00 0.00 37.83 34.67 3m85 s LYS 52 CO 0.06 0.14 0.23 -1.17 -0.92 0.00 0.00 175.35 173.68 3m85 s LEU 53 N 0.55 2.51 0.00 3.17 2.96 0.01 -0.95 118.68 126.93 3m85 s LEU 53 Ca -0.08 -2.53 0.00 0.00 -0.22 0.00 0.00 54.13 51.30 3m85 s LEU 53 Cb -0.16 -0.97 0.00 0.00 0.50 0.00 0.00 46.19 45.57 3m85 s LEU 53 CO 0.04 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 3m85 n GLY 54 N 3.66 1.84 0.43 7.98 0.00 -0.79 -1.65 105.19 116.66 3m85 n GLY 54 Ca 0.08 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.64 3m85 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3m85 n ASP 55 N 4.35 1.25 -4.72 1.61 10.43 -1.26 -4.87 116.55 123.34 3m85 n ASP 55 Ca 0.00 -1.94 -0.40 0.00 2.57 0.00 0.00 54.79 55.02 3m85 n ASP 55 Cb 0.00 -0.15 -0.05 0.00 1.84 0.00 0.00 41.12 42.77 3m85 n ASP 55 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3m85 s THR 56 N -1.71 4.98 0.01 -3.53 2.01 -0.66 -4.55 115.64 112.19 3m85 s THR 56 Ca 0.18 1.52 0.03 0.00 0.31 0.00 0.00 61.69 63.73 3m85 s THR 56 Cb 0.09 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 3m85 s THR 56 CO 0.13 0.27 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.12 3m85 s GLN 57 N 0.63 0.81 -0.15 4.92 -0.21 0.10 -0.81 119.66 124.95 3m85 s GLN 57 Ca 0.39 -0.49 -0.21 0.00 0.02 0.00 0.00 55.36 55.07 3m85 s GLN 57 Cb -0.18 -0.78 0.05 0.00 1.00 0.00 0.00 33.01 33.10 3m85 s GLN 57 CO 0.20 0.20 0.55 0.54 -2.12 0.00 0.00 175.29 174.66 3m85 s VAL 58 N -0.48 0.01 0.01 1.09 0.11 -1.13 -1.30 120.40 118.70 3m85 s VAL 58 Ca 0.02 -0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.04 3m85 s VAL 58 Cb -0.05 -0.80 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 3m85 s VAL 58 CO 0.00 -0.04 -0.12 0.54 -3.33 0.00 0.00 175.10 172.15 3m85 s VAL 59 N -0.21 0.95 -0.03 2.04 0.11 -0.05 -1.77 120.40 121.44 3m85 s VAL 59 Ca -0.04 -0.64 0.05 0.00 -2.93 0.00 0.00 61.98 58.42 3m85 s VAL 59 Cb -0.03 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 3m85 s VAL 59 CO 0.03 0.17 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.09 3m85 s VAL 60 N -0.46 1.50 -0.02 2.04 1.01 -0.02 -0.26 120.40 124.19 3m85 s VAL 60 Ca 0.03 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.28 3m85 s VAL 60 Cb -0.05 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 3m85 s VAL 60 CO 0.00 0.43 -0.17 -0.83 0.00 0.00 0.00 175.10 174.53 3m85 s GLY 61 N -0.24 0.85 -0.03 4.51 0.00 -0.10 -1.33 107.32 110.98 3m85 s GLY 61 Ca 0.02 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.05 3m85 s GLY 61 CO 0.01 -0.53 -0.08 0.14 0.00 0.00 0.00 173.10 172.63 3m85 s VAL 62 N -0.27 3.54 -0.04 1.40 1.01 0.31 -1.34 120.40 125.02 3m85 s VAL 62 Ca 0.04 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3m85 s VAL 62 Cb -0.08 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.85 3m85 s VAL 62 CO 0.00 0.51 -0.02 -0.54 0.00 0.00 0.00 175.10 175.05 3m85 s LYS 63 N -1.04 0.55 0.13 2.72 -0.14 -0.71 -1.00 119.74 120.26 3m85 s LYS 63 Ca 0.14 -0.01 0.09 0.00 -1.36 0.00 0.00 55.97 54.83 3m85 s LYS 63 Cb -0.11 -0.66 -0.04 0.00 -1.68 0.00 0.00 37.83 35.34 3m85 s LYS 63 CO 0.04 -0.11 -0.14 -1.64 -0.76 0.00 0.00 175.35 172.73 3m85 s MET 64 N 0.99 1.92 -0.24 1.68 -1.94 -1.26 -0.62 119.30 119.83 3m85 s MET 64 Ca -0.10 -1.17 -0.28 0.00 -1.71 0.00 0.00 55.69 52.43 3m85 s MET 64 Cb -0.14 -2.16 0.15 0.00 2.01 0.00 0.00 34.83 34.69 3m85 s MET 64 CO -0.01 0.47 1.16 1.14 -0.01 0.00 0.00 175.02 177.78 3m85 s GLN 65 N -2.33 0.37 0.52 2.03 -2.07 -1.01 -4.85 119.66 112.32 3m85 s GLN 65 Ca 0.20 0.22 -0.20 0.00 -1.82 0.00 0.00 55.36 53.76 3m85 s GLN 65 Cb -0.10 0.18 -0.09 0.00 -1.09 0.00 0.00 33.01 31.91 3m85 s GLN 65 CO 0.12 -0.09 0.75 -2.30 -1.32 0.00 0.00 175.29 172.46 3m85 n PRO 66 N 1.22 0.81 -3.76 9.60 -0.02 -1.26 -1.56 135.00 140.02 3m85 n PRO 66 Ca -0.09 0.30 -0.02 0.00 -2.02 0.00 0.00 63.50 61.68 3m85 n PRO 66 Cb 0.57 -1.87 -0.00 0.00 -0.02 0.00 0.00 33.50 32.18 3m85 n PRO 66 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3m85 s GLY 67 N -1.07 -0.19 0.04 -1.23 0.00 -0.24 -4.81 107.32 99.82 3m85 s GLY 67 Ca 0.69 0.15 -0.25 0.00 0.00 0.00 0.00 44.72 45.31 3m85 s GLY 67 CO 0.53 0.89 0.78 -0.54 0.00 0.00 0.00 173.10 174.77 3m85 s GLU 68 N -2.74 4.51 1.17 2.90 2.02 -1.26 -0.22 118.70 125.08 3m85 s GLU 68 Ca 0.16 1.09 -0.19 0.00 0.02 0.00 0.00 54.97 56.05 3m85 s GLU 68 Cb -0.00 -3.38 0.28 0.00 0.10 0.00 0.00 34.13 31.13 3m85 s GLU 68 CO 0.01 0.24 1.15 -1.25 0.02 0.00 0.00 175.26 175.44 3m85 s PRO 69 N 0.07 -1.01 0.31 0.39 0.04 -1.26 -4.94 135.00 128.60 3m85 s PRO 69 Ca 0.40 -0.17 -0.29 0.00 0.04 0.00 0.00 61.00 60.97 3m85 s PRO 69 Cb -0.20 -1.63 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 3m85 s PRO 69 CO 0.23 -3.55 1.40 0.00 0.04 0.00 0.00 177.00 175.12 3m85 s ALA 70 N -3.17 3.57 0.23 8.56 0.00 -1.24 -4.89 121.76 124.82 3m85 s ALA 70 Ca 0.72 1.35 -0.06 0.00 0.00 0.00 0.00 51.96 53.97 3m85 s ALA 70 Cb -0.08 -3.54 0.41 0.00 0.00 0.00 0.00 23.12 19.92 3m85 s ALA 70 CO 0.55 -0.76 1.69 -1.00 0.00 0.00 0.00 175.76 176.24 3m85 h PRO 71 N 3.99 0.25 0.13 0.00 0.13 -2.00 -1.86 132.00 132.64 3m85 h PRO 71 Ca -0.48 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3m85 h PRO 71 Cb 1.22 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3m85 h PRO 71 CO 0.70 0.17 -0.16 0.22 -0.23 0.00 0.00 178.00 178.70 3m85 h ASP 72 N 0.26 -0.45 -3.74 1.44 1.82 -2.03 -3.39 116.42 110.33 3m85 h ASP 72 Ca 0.39 0.04 -0.79 0.00 -0.39 0.00 0.00 57.03 56.27 3m85 h ASP 72 Cb 0.64 0.15 -0.26 0.00 0.68 0.00 0.00 39.33 40.54 3m85 h ASP 72 CO -0.49 -0.20 0.20 0.42 -1.61 0.00 0.00 179.24 177.56 3m85 s THR 73 N -3.88 5.70 -2.00 2.25 -4.23 -0.70 -4.88 115.64 107.90 3m85 s THR 73 Ca -0.05 -2.70 0.05 0.00 -1.18 0.00 0.00 61.69 57.81 3m85 s THR 73 Cb 0.01 -4.51 0.15 0.00 1.34 0.00 0.00 72.50 69.49 3m85 s THR 73 CO 0.19 -1.08 0.69 -2.65 -0.54 0.00 0.00 174.62 171.23 3m85 n PRO 74 N 3.69 0.30 -3.92 3.99 -0.02 -1.23 -3.67 135.00 134.15 3m85 n PRO 74 Ca 0.17 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.42 3m85 n PRO 74 Cb 0.45 -1.27 -0.05 0.00 -0.02 0.00 0.00 33.50 32.61 3m85 n PRO 74 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3m85 s ASP 75 N -1.87 4.87 0.00 2.55 3.68 -1.26 -0.43 116.67 124.21 3m85 s ASP 75 Ca 0.08 -0.74 0.00 0.00 2.13 0.00 0.00 52.55 54.02 3m85 s ASP 75 Cb 0.04 -0.72 0.00 0.00 -1.45 0.00 0.00 42.92 40.79 3m85 s ASP 75 CO 0.06 -0.42 0.00 -2.11 0.13 0.00 0.00 175.17 172.83 3m85 n ARG 76 N -1.30 0.00 0.00 4.34 1.85 -1.26 -4.86 116.66 115.43 3m85 n ARG 76 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 3m85 n ARG 76 Cb 0.61 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.02 3m85 n ARG 76 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3m85 n GLY 77 N 0.00 1.37 3.58 2.89 0.00 -1.26 -3.99 105.19 107.78 3m85 n GLY 77 Ca 0.00 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 3m85 n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m85 s VAL 78 N -2.03 3.50 -0.17 1.61 1.01 -0.99 -4.82 120.40 118.51 3m85 s VAL 78 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3m85 s VAL 78 Cb 0.00 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.85 3m85 s VAL 78 CO 0.00 0.31 -0.19 -0.63 0.00 0.00 0.00 175.10 174.59 3m85 s ILE 79 N -1.05 1.97 -0.16 2.22 1.01 -1.26 0.13 121.20 124.05 3m85 s ILE 79 Ca 0.18 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 3m85 s ILE 79 Cb -0.11 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 3m85 s ILE 79 CO 0.09 0.53 -0.08 -0.63 0.00 0.00 0.00 174.94 174.85 3m85 s ILE 80 N 1.22 3.38 -0.25 2.92 1.01 -0.20 -4.98 121.20 124.31 3m85 s ILE 80 Ca 0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 3m85 s ILE 80 Cb -0.13 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.89 3m85 s ILE 80 CO -0.10 0.49 -0.05 -0.69 0.00 0.00 0.00 174.94 174.58 3m85 s VAL 81 N 0.65 2.91 0.22 2.92 1.01 -1.26 0.17 120.40 127.02 3m85 s VAL 81 Ca -0.04 -1.05 0.11 0.00 0.00 0.00 0.00 61.98 60.99 3m85 s VAL 81 Cb -0.15 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3m85 s VAL 81 CO 0.02 0.17 -0.17 0.20 0.00 0.00 0.00 175.10 175.32 3m85 s ASN 82 N 1.32 3.78 -0.03 3.32 -0.87 -0.07 -4.71 114.94 117.69 3m85 s ASN 82 Ca -0.00 -0.82 0.00 0.00 -1.57 0.00 0.00 52.86 50.47 3m85 s ASN 82 Cb -0.17 -0.44 0.03 0.00 -0.02 0.00 0.00 41.25 40.65 3m85 s ASN 82 CO -0.04 0.08 0.01 0.00 -2.57 0.00 0.00 177.10 174.58 3m85 s ALA 83 N -1.98 0.25 -0.23 0.60 0.00 -1.26 -0.70 121.76 118.44 3m85 s ALA 83 Ca 0.25 0.20 -0.05 0.00 0.00 0.00 0.00 51.96 52.36 3m85 s ALA 83 Cb -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 3m85 s ALA 83 CO 0.14 -0.07 0.00 -1.21 0.00 0.00 0.00 175.76 174.61 3m85 s GLU 84 N 1.00 3.44 -0.86 0.00 0.41 0.17 -4.80 118.70 118.07 3m85 s GLU 84 Ca -0.10 -0.60 -0.01 0.00 -0.41 0.00 0.00 54.97 53.86 3m85 s GLU 84 Cb -0.13 -3.13 0.35 0.00 -1.78 0.00 0.00 34.13 29.43 3m85 s GLU 84 CO -0.02 -0.21 1.89 1.28 -0.49 0.00 0.00 175.26 177.71 3m85 n LEU 85 N 4.84 7.23 -4.70 1.80 4.32 -1.26 -2.55 117.00 126.68 3m85 n LEU 85 Ca -0.17 -5.02 -0.33 0.00 -0.02 0.00 0.00 56.01 50.47 3m85 n LEU 85 Cb 0.51 -1.04 0.12 0.00 -1.62 0.00 0.00 43.42 41.39 3m85 n LEU 85 CO 0.30 1.88 0.75 0.68 -1.22 0.00 0.00 177.39 179.77 3m85 s VAL 86 N -4.91 2.24 -0.63 4.08 -7.23 -1.26 -4.79 120.40 107.90 3m85 s VAL 86 Ca 0.48 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.76 3m85 s VAL 86 Cb 0.37 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.85 3m85 s VAL 86 CO -0.33 -0.08 0.55 -2.65 -0.31 0.00 0.00 175.10 172.28 3m85 n PRO 87 N -3.37 0.00 -0.20 4.82 -0.02 -1.26 -3.39 135.00 131.58 3m85 n PRO 87 Ca 0.13 0.15 -0.06 0.00 -2.02 0.00 0.00 63.50 61.70 3m85 n PRO 87 Cb 0.51 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 3m85 n PRO 87 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3m85 h LEU 88 N 0.00 -1.20 -9.07 2.45 5.85 -1.87 -3.40 115.31 108.08 3m85 h LEU 88 Ca 0.00 0.23 -0.65 0.00 0.84 0.00 0.00 57.88 58.30 3m85 h LEU 88 Cb 0.34 0.59 -0.18 0.00 0.37 0.00 0.00 40.66 41.78 3m85 h LEU 88 CO 0.00 -0.31 -0.63 0.00 -0.34 0.00 0.00 178.44 177.17 3m85 s ALA 89 N -5.98 3.20 0.10 1.25 0.00 -1.08 -4.86 121.76 114.39 3m85 s ALA 89 Ca -0.14 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3m85 s ALA 89 Cb 0.15 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.67 3m85 s ALA 89 CO 0.69 0.35 0.00 0.43 0.00 0.00 0.00 175.76 177.23 3m85 n SER 90 N 3.00 -4.28 0.26 0.00 7.64 -1.26 -4.51 113.62 114.46 3m85 n SER 90 Ca -0.18 0.42 0.12 0.00 1.01 0.00 0.00 58.87 60.24 3m85 n SER 90 Cb 0.53 -1.27 0.69 0.00 -1.01 0.00 0.00 64.21 63.14 3m85 n SER 90 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3m85 h PRO 91 N 1.06 0.00 0.00 1.43 0.11 -1.93 -2.49 132.00 130.17 3m85 h PRO 91 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3m85 h PRO 91 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3m85 h PRO 91 CO 0.00 0.13 0.00 2.41 -0.21 0.00 0.00 178.00 180.33 3m85 n THR 92 N -3.70 0.33 -2.86 -1.15 -1.04 -1.26 -4.50 114.28 100.09 3m85 n THR 92 Ca -0.02 0.08 -0.43 0.00 -2.04 0.00 0.00 64.05 61.64 3m85 n THR 92 Cb 0.25 -0.80 -0.04 0.00 -1.82 0.00 0.00 70.33 67.91 3m85 n THR 92 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3m85 s PHE 93 N -2.37 2.95 0.29 -1.42 2.99 -0.94 -5.04 117.98 114.44 3m85 s PHE 93 Ca 0.20 0.35 -0.06 0.00 0.00 0.00 0.00 56.93 57.41 3m85 s PHE 93 Cb 0.12 -3.86 -0.06 0.00 0.00 0.00 0.00 43.02 39.22 3m85 s PHE 93 CO 0.24 -1.05 0.57 -2.00 -0.00 0.00 0.00 175.22 172.99 3m85 s GLU 94 N 3.60 3.68 0.72 0.44 2.12 -1.26 -4.17 118.70 123.83 3m85 s GLU 94 Ca 0.35 0.10 -0.11 0.00 0.36 0.00 0.00 54.97 55.67 3m85 s GLU 94 Cb -0.11 -2.62 0.03 0.00 0.26 0.00 0.00 34.13 31.69 3m85 s GLU 94 CO 0.25 0.21 1.07 -2.14 -0.54 0.00 0.00 175.26 174.10 3m85 s PRO 95 N -3.45 2.69 0.00 4.30 0.02 -1.26 -4.54 135.00 132.76 3m85 s PRO 95 Ca 0.45 0.93 0.00 0.00 0.02 0.00 0.00 61.00 62.40 3m85 s PRO 95 Cb -0.11 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.45 3m85 s PRO 95 CO 0.29 -1.27 0.00 0.41 -0.33 0.00 0.00 177.00 176.10 3m85 n GLY 96 N -1.89 0.32 3.69 0.52 0.00 -1.26 -5.08 105.19 101.49 3m85 n GLY 96 Ca 0.08 -2.30 -0.31 0.00 0.00 0.00 0.00 46.02 43.49 3m85 n GLY 96 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3m85 s PRO 97 N -0.04 1.27 0.11 1.61 0.02 -1.26 -4.92 135.00 131.79 3m85 s PRO 97 Ca 0.00 1.50 -0.36 0.00 0.02 0.00 0.00 61.00 62.17 3m85 s PRO 97 Cb 0.00 -1.76 -0.16 0.00 0.02 0.00 0.00 34.50 32.60 3m85 s PRO 97 CO 0.00 -2.44 1.30 -2.30 -0.33 0.00 0.00 177.00 173.23 3m85 n PRO 98 N -4.05 1.15 -2.89 5.54 -0.02 -1.26 -5.01 135.00 128.47 3m85 n PRO 98 Ca 0.12 0.42 -0.22 0.00 -2.02 0.00 0.00 63.50 61.79 3m85 n PRO 98 Cb 0.52 -2.02 0.02 0.00 -0.02 0.00 0.00 33.50 32.00 3m85 n PRO 98 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3m85 s ASP 99 N 0.37 5.65 0.48 2.55 -4.77 -1.26 -4.94 116.67 114.75 3m85 s ASP 99 Ca 0.82 0.16 0.25 0.00 -3.30 0.00 0.00 52.55 50.47 3m85 s ASP 99 Cb -0.93 -1.29 1.30 0.00 -1.09 0.00 0.00 42.92 40.92 3m85 s ASP 99 CO 0.48 -0.84 1.87 -0.33 0.70 0.00 0.00 175.17 177.05 3m85 h GLU 100 N 0.31 0.18 0.09 2.11 5.08 -1.99 -1.86 114.58 118.49 3m85 h GLU 100 Ca -0.45 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3m85 h GLU 100 Cb 1.27 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3m85 h GLU 100 CO 0.55 0.12 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.72 3m85 h ASN 101 N 0.18 -0.10 -0.74 1.42 2.35 -1.98 0.26 115.58 116.96 3m85 h ASN 101 Ca 0.45 -0.46 0.19 0.00 -0.55 0.00 0.00 56.30 55.93 3m85 h ASN 101 Cb 1.48 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 39.84 3m85 h ASN 101 CO -0.09 0.46 0.52 0.28 -1.65 0.00 0.00 177.43 176.94 3m85 h SER 102 N -0.73 0.18 0.18 5.81 0.02 -1.70 0.31 113.55 117.62 3m85 h SER 102 Ca -0.01 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3m85 h SER 102 Cb 0.56 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3m85 h SER 102 CO 0.02 0.08 -0.08 0.40 -1.14 0.00 0.00 176.83 176.11 3m85 h ILE 103 N 0.18 0.17 -0.74 3.27 2.04 -1.21 -2.67 117.51 118.55 3m85 h ILE 103 Ca 0.36 -0.92 0.17 0.00 1.00 0.00 0.00 64.86 65.47 3m85 h ILE 103 Cb 1.17 0.30 -0.13 0.00 -0.74 0.00 0.00 36.82 37.41 3m85 h ILE 103 CO -0.07 0.05 -0.01 -0.08 0.00 0.00 0.00 178.15 178.05 3m85 h GLU 104 N -1.04 0.09 -0.69 2.37 4.57 -0.03 0.21 114.58 120.07 3m85 h GLU 104 Ca -0.02 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.20 3m85 h GLU 104 Cb 0.26 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.78 3m85 h GLU 104 CO 0.04 0.06 0.41 1.25 -1.18 0.00 0.00 179.01 179.59 3m85 h LEU 105 N 0.10 0.64 -0.13 1.64 6.46 -0.49 0.09 115.31 123.62 3m85 h LEU 105 Ca 0.40 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 58.14 3m85 h LEU 105 Cb 0.70 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 3m85 h LEU 105 CO -0.66 0.43 -0.07 0.00 -0.62 0.00 0.00 178.44 177.51 3m85 h ALA 106 N 1.33 0.19 -0.25 1.25 0.00 -0.65 -2.76 119.26 118.36 3m85 h ALA 106 Ca 0.29 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3m85 h ALA 106 Cb 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3m85 h ALA 106 CO -0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 179.25 179.04 3m85 h ARG 107 N -0.07 0.39 -0.09 0.00 3.08 -0.21 0.20 114.38 117.68 3m85 h ARG 107 Ca 0.03 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3m85 h ARG 107 Cb 0.55 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 3m85 h ARG 107 CO 0.02 0.46 -0.06 0.28 -1.07 0.00 0.00 179.97 179.61 3m85 h VAL 108 N 0.38 1.33 0.12 2.04 2.07 -0.97 -0.59 116.25 120.64 3m85 h VAL 108 Ca 0.08 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3m85 h VAL 108 Cb 0.33 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3m85 h VAL 108 CO 0.01 0.32 -0.06 0.58 0.02 0.00 0.00 177.57 178.44 3m85 h VAL 109 N -0.18 0.90 -0.93 2.57 2.07 -1.17 -1.79 116.25 117.72 3m85 h VAL 109 Ca 0.02 -0.06 0.19 0.00 0.82 0.00 0.00 66.70 67.67 3m85 h VAL 109 Cb 0.53 0.94 -0.11 0.00 -1.52 0.00 0.00 31.29 31.13 3m85 h VAL 109 CO 0.02 0.01 0.51 -0.78 0.02 0.00 0.00 177.57 177.35 3m85 h ASP 110 N -0.19 0.61 0.75 0.57 -0.00 -0.61 -2.41 116.42 115.14 3m85 h ASP 110 Ca -0.02 0.11 -0.04 0.00 -0.00 0.00 0.00 57.03 57.09 3m85 h ASP 110 Cb 0.15 0.01 0.01 0.00 -0.00 0.00 0.00 39.33 39.50 3m85 h ASP 110 CO 0.03 0.19 -0.36 0.03 -0.00 0.00 0.00 179.24 179.12 3m85 h ARG 111 N 0.63 -0.97 -1.05 0.28 3.08 -0.29 0.21 114.38 116.27 3m85 h ARG 111 Ca 0.54 0.07 0.30 0.00 0.07 0.00 0.00 59.98 60.96 3m85 h ARG 111 Cb 0.88 0.22 -0.12 0.00 0.08 0.00 0.00 29.97 31.03 3m85 h ARG 111 CO -0.41 -0.65 0.64 0.78 -1.07 0.00 0.00 179.97 179.26 3m85 h GLY 112 N -1.06 1.70 0.52 0.04 0.00 -1.10 0.32 103.07 103.49 3m85 h GLY 112 Ca -0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3m85 h GLY 112 CO 0.17 -0.31 -0.25 -2.22 0.00 0.00 0.00 176.54 173.93 3m85 h ILE 113 N 0.40 0.00 -0.21 2.60 2.04 -1.18 -2.86 117.51 118.29 3m85 h ILE 113 Ca 0.68 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 66.13 3m85 h ILE 113 Cb 1.59 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.60 3m85 h ILE 113 CO -0.46 0.00 -0.50 -0.09 0.00 0.00 0.00 178.15 177.11 3m85 h ARG 114 N -1.16 -0.48 -0.23 2.37 2.43 0.13 -2.74 114.38 114.70 3m85 h ARG 114 Ca -0.07 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 3m85 h ARG 114 Cb 0.54 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3m85 h ARG 114 CO 0.12 -0.32 -0.29 0.93 -1.51 0.00 0.00 179.97 178.90 3m85 h GLU 115 N -0.50 0.45 0.00 0.20 4.39 -0.61 -1.30 114.58 117.21 3m85 h GLU 115 Ca 0.07 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3m85 h GLU 115 Cb 0.65 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3m85 h GLU 115 CO -0.47 0.70 0.00 -1.13 -1.16 0.00 0.00 179.01 176.95 3m85 n SER 116 N -4.10 0.00 -4.08 1.42 3.41 -1.08 -4.87 113.62 104.32 3m85 n SER 116 Ca -0.01 -0.42 -0.32 0.00 -0.26 0.00 0.00 58.87 57.86 3m85 n SER 116 Cb 0.42 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 3m85 n SER 116 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m85 n GLU 117 N -1.11 -3.97 0.03 4.33 1.02 -0.49 -4.83 120.64 115.63 3m85 n GLU 117 Ca 0.14 0.45 0.11 0.00 -0.02 0.00 0.00 57.16 57.84 3m85 n GLU 117 Cb 0.11 -5.14 0.46 0.00 -0.02 0.00 0.00 31.44 26.85 3m85 n GLU 117 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m85 n ALA 118 N -4.48 1.99 -3.81 0.62 0.00 -1.15 -4.57 120.51 109.11 3m85 n ALA 118 Ca -0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 3m85 n ALA 118 Cb 0.54 -1.37 -0.17 0.00 0.00 0.00 0.00 19.45 18.44 3m85 n ALA 118 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3m85 s VAL 119 N -3.06 0.61 -0.70 0.00 1.01 -1.26 -0.80 120.40 116.20 3m85 s VAL 119 Ca 0.10 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.69 3m85 s VAL 119 Cb 0.13 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 3m85 s VAL 119 CO 0.42 0.21 2.06 -0.62 0.00 0.00 0.00 175.10 177.18 3m85 s ASP 120 N 1.87 4.88 0.09 3.32 2.15 -1.25 -4.81 116.67 122.93 3m85 s ASP 120 Ca 0.04 0.13 -0.23 0.00 0.43 0.00 0.00 52.55 52.92 3m85 s ASP 120 Cb -0.13 -2.54 -0.15 0.00 -0.30 0.00 0.00 42.92 39.80 3m85 s ASP 120 CO -0.07 -2.79 1.73 -0.07 -0.17 0.00 0.00 175.17 173.81 3m85 h LEU 121 N 18.30 -0.02 -0.96 -1.34 3.38 -1.87 -1.84 115.31 130.96 3m85 h LEU 121 Ca -0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3m85 h LEU 121 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3m85 h LEU 121 CO 1.18 -0.01 0.45 0.77 0.09 0.00 0.00 178.44 180.92 3m85 h SER 122 N -0.03 0.00 0.16 -0.43 4.64 -1.88 0.76 113.55 116.78 3m85 h SER 122 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3m85 h SER 122 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3m85 h SER 122 CO 0.00 0.00 -0.08 0.50 -0.87 0.00 0.00 176.83 176.39 3m85 h LYS 123 N 0.00 -0.21 -2.58 4.77 1.63 -1.59 -3.38 116.57 115.22 3m85 h LYS 123 Ca 0.00 0.01 -0.42 0.00 -0.85 0.00 0.00 60.65 59.39 3m85 h LYS 123 Cb 0.91 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 3m85 h LYS 123 CO 0.00 0.18 1.82 1.47 -3.45 0.00 0.00 179.45 179.47 3m85 n LEU 124 N -4.90 6.79 -4.60 5.20 -0.00 0.26 -4.84 117.00 114.91 3m85 n LEU 124 Ca -0.07 -3.67 -0.34 0.00 -0.00 0.00 0.00 56.01 51.93 3m85 n LEU 124 Cb 0.24 -1.44 -0.11 0.00 -0.00 0.00 0.00 43.42 42.12 3m85 n LEU 124 CO 0.21 1.77 -0.31 0.54 -0.00 0.00 0.00 177.39 179.60 3m85 s VAL 125 N 1.74 4.26 -0.06 1.47 0.11 -1.26 -1.79 120.40 124.86 3m85 s VAL 125 Ca 0.65 -0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 59.39 3m85 s VAL 125 Cb 0.23 -2.85 -0.02 0.00 -1.53 0.00 0.00 36.38 32.21 3m85 s VAL 125 CO -0.03 0.53 -0.14 -0.38 -3.33 0.00 0.00 175.10 171.75 3m85 n ILE 126 N 2.98 0.66 -3.97 7.04 2.08 -0.27 -4.94 119.36 122.94 3m85 n ILE 126 Ca -0.18 0.32 -0.34 0.00 0.56 0.00 0.00 62.75 63.11 3m85 n ILE 126 Cb 0.53 -1.80 -0.15 0.00 -0.75 0.00 0.00 39.64 37.47 3m85 n ILE 126 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3m85 s GLU 127 N -1.81 3.19 0.06 0.38 2.02 0.10 -4.93 118.70 117.72 3m85 s GLU 127 Ca -0.11 -0.73 -0.38 0.00 0.02 0.00 0.00 54.97 53.77 3m85 s GLU 127 Cb 0.02 -2.89 -0.18 0.00 0.10 0.00 0.00 34.13 31.17 3m85 s GLU 127 CO 0.17 -0.23 1.12 -1.91 0.02 0.00 0.00 175.26 174.43 3m85 n GLU 128 N 4.73 0.44 -0.75 1.61 4.07 -1.26 -0.37 120.64 129.11 3m85 n GLU 128 Ca -0.19 0.16 -0.02 0.00 -0.06 0.00 0.00 57.16 57.05 3m85 n GLU 128 Cb 0.50 -1.67 -0.01 0.00 -0.06 0.00 0.00 31.44 30.20 3m85 n GLU 128 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3m85 n GLY 129 N 1.88 0.18 0.00 8.31 0.00 0.42 -4.65 105.19 111.34 3m85 n GLY 129 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3m85 n GLY 129 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3m85 n GLU 130 N 0.28 0.00 -4.16 1.61 4.07 0.50 -4.79 120.64 118.14 3m85 n GLU 130 Ca -0.02 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.73 3m85 n GLU 130 Cb 0.34 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.62 3m85 n GLU 130 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3m85 s LYS 131 N 0.00 3.62 -0.05 5.31 3.01 -1.00 -4.12 119.74 126.51 3m85 s LYS 131 Ca 0.00 -0.37 -0.17 0.00 -1.01 0.00 0.00 55.97 54.42 3m85 s LYS 131 Cb 0.00 -3.05 0.03 0.00 -1.01 0.00 0.00 37.83 33.80 3m85 s LYS 131 CO 0.00 0.43 0.39 0.54 0.51 0.00 0.00 175.35 177.21 3m85 s VAL 132 N -0.09 0.04 0.24 3.17 0.11 0.70 0.03 120.40 124.59 3m85 s VAL 132 Ca 0.05 -0.30 -0.30 0.00 -2.93 0.00 0.00 61.98 58.50 3m85 s VAL 132 Cb -0.12 -0.66 -0.10 0.00 -1.53 0.00 0.00 36.38 33.96 3m85 s VAL 132 CO 0.01 -0.16 1.51 0.26 -3.33 0.00 0.00 175.10 173.39 3m85 s TRP 133 N -0.96 2.96 -0.18 1.54 0.52 -0.74 -1.08 118.94 121.00 3m85 s TRP 133 Ca -0.10 0.88 -0.03 0.00 0.02 0.00 0.00 56.10 56.87 3m85 s TRP 133 Cb -0.04 -3.91 -0.01 0.00 -1.15 0.00 0.00 33.47 28.36 3m85 s TRP 133 CO 0.04 -3.06 -0.07 0.42 0.02 0.00 0.00 176.95 174.30 3m85 s ILE 134 N 0.24 3.37 -0.38 2.03 1.01 -0.60 -2.36 121.20 124.50 3m85 s ILE 134 Ca 0.63 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 3m85 s ILE 134 Cb -0.44 -2.49 0.07 0.00 0.01 0.00 0.00 42.46 39.61 3m85 s ILE 134 CO 0.42 0.47 0.19 -0.69 0.00 0.00 0.00 174.94 175.33 3m85 s VAL 135 N 0.93 3.96 -0.25 2.92 1.01 0.34 -2.41 120.40 126.90 3m85 s VAL 135 Ca -0.01 -1.35 -0.22 0.00 0.00 0.00 0.00 61.98 60.40 3m85 s VAL 135 Cb -0.15 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 3m85 s VAL 135 CO 0.00 -0.39 0.71 -0.36 0.00 0.00 0.00 175.10 175.07 3m85 s PHE 136 N 1.39 3.29 -0.32 5.22 0.40 0.21 -1.03 117.98 127.14 3m85 s PHE 136 Ca 0.02 0.94 -0.10 0.00 -0.60 0.00 0.00 56.93 57.19 3m85 s PHE 136 Cb -0.22 -2.93 -0.00 0.00 0.51 0.00 0.00 43.02 40.38 3m85 s PHE 136 CO 0.02 -0.36 0.15 0.08 0.70 0.00 0.00 175.22 175.81 3m85 s VAL 137 N 2.65 4.55 -0.24 -0.44 1.01 0.13 -1.74 120.40 126.31 3m85 s VAL 137 Ca 0.30 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 3m85 s VAL 137 Cb -0.15 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.90 3m85 s VAL 137 CO 0.08 0.04 -0.06 -1.81 0.00 0.00 0.00 175.10 173.34 3m85 s ASP 138 N 1.60 4.27 -0.22 3.32 1.11 -0.45 -0.89 116.67 125.41 3m85 s ASP 138 Ca 0.04 -0.77 -0.12 0.00 0.18 0.00 0.00 52.55 51.88 3m85 s ASP 138 Cb -0.17 -1.67 -0.05 0.00 1.07 0.00 0.00 42.92 42.10 3m85 s ASP 138 CO 0.06 -0.10 0.23 -0.63 1.18 0.00 0.00 175.17 175.90 3m85 s ILE 139 N 1.36 5.32 -0.27 0.77 1.01 0.12 -0.92 121.20 128.60 3m85 s ILE 139 Ca 0.02 0.35 -0.01 0.00 0.00 0.00 0.00 60.65 61.00 3m85 s ILE 139 Cb -0.16 -3.56 0.08 0.00 0.01 0.00 0.00 42.46 38.83 3m85 s ILE 139 CO -0.05 0.34 0.06 -2.28 0.00 0.00 0.00 174.94 173.01 3m85 s HIS 140 N 0.94 1.67 0.55 3.97 2.46 0.64 -0.65 115.29 124.86 3m85 s HIS 140 Ca 0.11 -1.52 -0.21 0.00 0.47 0.00 0.00 55.06 53.91 3m85 s HIS 140 Cb -0.13 -1.53 -0.05 0.00 -0.13 0.00 0.00 32.58 30.74 3m85 s HIS 140 CO 0.04 -0.79 1.27 0.00 -2.47 0.00 0.00 174.74 172.79 3m85 s ALA 141 N 1.63 2.75 0.04 1.58 0.00 -1.06 -0.87 121.76 125.83 3m85 s ALA 141 Ca 0.04 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3m85 s ALA 141 Cb -0.17 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3m85 s ALA 141 CO -0.17 -1.18 0.00 1.28 0.00 0.00 0.00 175.76 175.69 3m85 n LEU 142 N -1.11 0.32 -3.83 0.00 4.77 -0.42 -4.71 117.00 112.01 3m85 n LEU 142 Ca 0.11 0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 55.91 3m85 n LEU 142 Cb 0.47 -0.09 -0.17 0.00 -2.33 0.00 0.00 43.42 41.30 3m85 n LEU 142 CO 0.49 -0.28 -0.41 -0.62 -1.33 0.00 0.00 177.39 175.24 3m85 s ASP 143 N -5.29 1.73 -0.42 -1.43 3.68 -1.00 -2.64 116.67 111.30 3m85 s ASP 143 Ca 0.00 -0.17 -0.09 0.00 2.13 0.00 0.00 52.55 54.42 3m85 s ASP 143 Cb 0.00 -0.59 0.08 0.00 -1.45 0.00 0.00 42.92 40.96 3m85 s ASP 143 CO 0.00 -0.15 0.27 -0.62 0.13 0.00 0.00 175.17 174.80 3m85 s ASP 144 N 1.76 5.66 -0.23 -0.34 3.68 -1.26 -0.72 116.67 125.22 3m85 s ASP 144 Ca 0.03 -1.51 0.10 0.00 2.13 0.00 0.00 52.55 53.31 3m85 s ASP 144 Cb -0.13 -2.00 0.43 0.00 -1.45 0.00 0.00 42.92 39.78 3m85 s ASP 144 CO -0.06 -0.55 1.22 -0.67 0.13 0.00 0.00 175.17 175.25 3m85 n ASP 145 N 4.93 2.44 0.00 -0.34 4.64 -1.26 -4.68 116.55 122.27 3m85 n ASP 145 Ca -0.10 -3.87 0.00 0.00 -1.38 0.00 0.00 54.79 49.44 3m85 n ASP 145 Cb 0.43 -0.49 0.00 0.00 -1.04 0.00 0.00 41.12 40.02 3m85 n ASP 145 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3m85 n GLY 146 N -1.03 1.49 2.96 0.27 0.00 -1.26 0.26 105.19 107.88 3m85 n GLY 146 Ca 0.25 -1.60 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 3m85 n GLY 146 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m85 n ASN 147 N -0.16 -3.85 0.31 1.61 4.05 -1.25 -4.78 115.26 111.18 3m85 n ASN 147 Ca 0.00 -0.43 0.18 0.00 0.45 0.00 0.00 54.58 54.78 3m85 n ASN 147 Cb 0.00 -3.93 0.98 0.00 1.23 0.00 0.00 39.78 38.06 3m85 n ASN 147 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3m85 h LEU 148 N -1.77 0.00 0.26 1.20 3.38 -1.95 -2.72 115.31 113.72 3m85 h LEU 148 Ca -0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3m85 h LEU 148 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3m85 h LEU 148 CO 0.40 0.03 -0.13 0.25 0.09 0.00 0.00 178.44 179.08 3m85 h LEU 149 N 0.00 -0.30 -0.26 1.67 5.85 -1.96 -0.40 115.31 119.91 3m85 h LEU 149 Ca -0.00 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.52 3m85 h LEU 149 Cb 0.12 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3m85 h LEU 149 CO 0.00 0.18 0.12 0.44 -0.34 0.00 0.00 178.44 178.84 3m85 h ASP 150 N -0.91 0.16 -0.54 1.25 3.45 -1.83 -1.45 116.42 116.56 3m85 h ASP 150 Ca -0.04 0.02 0.09 0.00 0.43 0.00 0.00 57.03 57.53 3m85 h ASP 150 Cb 0.50 -0.01 -0.07 0.00 -0.56 0.00 0.00 39.33 39.19 3m85 h ASP 150 CO 0.06 0.13 0.14 0.00 -1.57 0.00 0.00 179.24 178.00 3m85 h ALA 151 N 1.14 0.64 -0.77 3.45 0.00 -1.55 -0.15 119.26 122.02 3m85 h ALA 151 Ca 0.11 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3m85 h ALA 151 Cb 0.05 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3m85 h ALA 151 CO -0.09 -0.28 0.38 0.77 0.00 0.00 0.00 179.25 180.04 3m85 h SER 152 N 0.29 0.99 -0.56 0.00 0.02 -0.31 0.95 113.55 114.93 3m85 h SER 152 Ca 0.27 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3m85 h SER 152 Cb 0.36 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3m85 h SER 152 CO -0.33 0.83 0.13 0.00 -1.14 0.00 0.00 176.83 176.32 3m85 h ALA 153 N 1.32 0.74 0.01 3.77 0.00 -0.60 0.88 119.26 125.38 3m85 h ALA 153 Ca 0.27 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3m85 h ALA 153 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3m85 h ALA 153 CO -0.04 0.44 -0.00 1.25 0.00 0.00 0.00 179.25 180.90 3m85 h LEU 154 N 0.80 -0.01 -0.36 0.00 5.85 -0.63 -2.68 115.31 118.27 3m85 h LEU 154 Ca 0.18 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3m85 h LEU 154 Cb 0.35 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3m85 h LEU 154 CO 0.00 0.21 0.09 0.00 -0.34 0.00 0.00 178.44 178.40 3m85 h ALA 155 N 0.76 0.48 -0.83 1.25 0.00 -0.49 -2.17 119.26 118.25 3m85 h ALA 155 Ca -0.00 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.80 3m85 h ALA 155 Cb 0.22 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 3m85 h ALA 155 CO 0.00 0.14 0.50 0.00 0.00 0.00 0.00 179.25 179.89 3m85 h ALA 156 N 0.94 1.15 -0.18 0.00 0.00 0.77 0.58 119.26 122.52 3m85 h ALA 156 Ca 0.11 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3m85 h ALA 156 Cb 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3m85 h ALA 156 CO 0.00 0.20 -0.45 0.97 0.00 0.00 0.00 179.25 179.97 3m85 h ILE 157 N 0.88 1.33 -0.97 0.00 6.09 -1.40 -1.18 117.51 122.28 3m85 h ILE 157 Ca 0.38 -1.69 0.01 0.00 -1.37 0.00 0.00 64.86 62.18 3m85 h ILE 157 Cb 0.24 1.93 -0.05 0.00 0.47 0.00 0.00 36.82 39.41 3m85 h ILE 157 CO -0.20 0.52 0.64 0.00 -3.07 0.00 0.00 178.15 176.04 3m85 h ALA 158 N 0.57 1.31 0.21 0.18 0.00 -1.02 0.20 119.26 120.71 3m85 h ALA 158 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3m85 h ALA 158 Cb 1.06 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3m85 h ALA 158 CO 0.10 0.64 -0.20 0.00 0.00 0.00 0.00 179.25 179.79 3m85 h ALA 159 N 1.40 -0.41 -0.84 0.00 0.00 0.29 -2.25 119.26 117.45 3m85 h ALA 159 Ca 0.35 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3m85 h ALA 159 Cb -0.15 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3m85 h ALA 159 CO -0.08 -0.76 0.42 -0.07 0.00 0.00 0.00 179.25 178.76 3m85 h LEU 160 N -0.44 1.07 -0.36 0.00 3.38 -0.62 -1.35 115.31 117.00 3m85 h LEU 160 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3m85 h LEU 160 Cb 0.41 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3m85 h LEU 160 CO -0.05 0.89 0.00 0.23 0.09 0.00 0.00 178.44 179.61 3m85 n MET 161 N -4.32 0.08 -2.21 1.13 2.81 0.66 -2.45 117.12 112.83 3m85 n MET 161 Ca 0.08 0.36 -0.24 0.00 -1.81 0.00 0.00 57.70 56.10 3m85 n MET 161 Cb 0.13 -1.67 0.01 0.00 -0.71 0.00 0.00 33.22 30.98 3m85 n MET 161 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3m85 n ASN 162 N -1.83 4.67 -4.49 7.83 3.02 -0.52 -4.95 115.26 119.00 3m85 n ASN 162 Ca 0.02 -3.66 -0.34 0.00 -0.03 0.00 0.00 54.58 50.58 3m85 n ASN 162 Cb 0.17 -0.39 -0.12 0.00 -0.61 0.00 0.00 39.78 38.83 3m85 n ASN 162 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3m85 s THR 163 N -4.86 3.82 -0.16 3.41 2.01 -1.03 -4.18 115.64 114.65 3m85 s THR 163 Ca 0.49 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 62.04 3m85 s THR 163 Cb 0.40 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 3m85 s THR 163 CO -0.04 0.50 0.04 -0.54 -0.69 0.00 0.00 174.62 173.89 3m85 s LYS 164 N 0.34 3.76 0.24 4.92 1.02 -0.49 -0.84 119.74 128.69 3m85 s LYS 164 Ca -0.05 -0.38 -0.30 0.00 0.02 0.00 0.00 55.97 55.27 3m85 s LYS 164 Cb -0.14 -3.10 -0.09 0.00 -0.52 0.00 0.00 37.83 33.98 3m85 s LYS 164 CO 0.03 0.35 1.22 0.08 -0.92 0.00 0.00 175.35 176.11 3m85 s VAL 165 N 0.13 3.29 -0.05 3.17 1.01 -0.10 -4.77 120.40 123.09 3m85 s VAL 165 Ca 0.03 1.18 -0.04 0.00 0.00 0.00 0.00 61.98 63.15 3m85 s VAL 165 Cb -0.13 -3.75 -0.16 0.00 0.00 0.00 0.00 36.38 32.34 3m85 s VAL 165 CO 0.01 0.23 3.13 -2.65 0.00 0.00 0.00 175.10 175.82 3m85 n PRO 166 N 1.82 1.80 0.33 2.72 -0.02 -1.26 -3.98 135.00 136.41 3m85 n PRO 166 Ca 0.02 -0.91 -0.17 0.00 -2.02 0.00 0.00 63.50 60.42 3m85 n PRO 166 Cb 0.44 -1.77 -0.09 0.00 -0.02 0.00 0.00 33.50 32.06 3m85 n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m85 h ALA 167 N 2.50 -0.84 -0.05 3.55 0.00 -1.82 -2.84 119.26 119.75 3m85 h ALA 167 Ca 0.17 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3m85 h ALA 167 Cb 1.31 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 3m85 h ALA 167 CO 0.25 -0.98 -0.47 0.93 0.00 0.00 0.00 179.25 178.99 3m85 h GLU 168 N -0.84 -0.56 -1.25 0.00 5.08 -1.48 0.28 114.58 115.81 3m85 h GLU 168 Ca -0.08 0.04 0.40 0.00 -1.00 0.00 0.00 59.36 58.72 3m85 h GLU 168 Cb 0.66 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 29.91 3m85 h GLU 168 CO 0.11 -0.37 0.80 -0.09 -1.00 0.00 0.00 179.01 178.46 3m85 h ARG 169 N -0.58 0.14 -0.60 2.33 2.43 -1.87 0.24 114.38 116.47 3m85 h ARG 169 Ca 0.05 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.96 3m85 h ARG 169 Cb 0.67 -0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 30.04 3m85 h ARG 169 CO -0.37 0.09 0.21 1.19 -1.51 0.00 0.00 179.97 179.58 3m85 n PHE 170 N -4.71 1.92 -3.96 2.20 3.72 0.91 -4.96 117.46 112.58 3m85 n PHE 170 Ca 0.35 -1.46 -0.39 0.00 -0.05 0.00 0.00 57.45 55.90 3m85 n PHE 170 Cb 1.32 -0.63 0.02 0.00 -0.94 0.00 0.00 39.48 39.24 3m85 n PHE 170 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3m85 n ASP 171 N -0.80 -4.46 0.00 4.37 8.00 0.85 -4.82 116.55 119.69 3m85 n ASP 171 Ca 0.40 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.72 3m85 n ASP 171 Cb 1.27 -1.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 3m85 n ASP 171 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3m85 n LEU 172 N -4.31 0.00 0.00 0.64 4.32 -0.99 -5.04 117.00 111.61 3m85 n LEU 172 Ca -0.16 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.76 3m85 n LEU 172 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 3m85 n LEU 172 CO 0.71 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.57 3m85 n GLY 173 N 0.00 0.21 3.79 -0.72 0.00 -1.26 -4.90 105.19 102.31 3m85 n GLY 173 Ca 0.00 -2.30 -0.32 0.00 0.00 0.00 0.00 46.02 43.40 3m85 n GLY 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m85 s GLU 174 N -0.71 2.92 0.42 1.61 2.02 -1.26 -1.39 118.70 122.31 3m85 s GLU 174 Ca 0.00 1.18 -0.23 0.00 0.02 0.00 0.00 54.97 55.94 3m85 s GLU 174 Cb 0.00 -1.98 -0.09 0.00 0.10 0.00 0.00 34.13 32.16 3m85 s GLU 174 CO 0.00 -1.13 1.05 -0.51 0.02 0.00 0.00 175.26 174.69 3m85 s ASP 175 N -3.09 6.65 0.04 -0.19 1.01 -1.26 -4.61 116.67 115.23 3m85 s ASP 175 Ca 0.63 2.03 -0.10 0.00 0.71 0.00 0.00 52.55 55.82 3m85 s ASP 175 Cb -0.17 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.19 3m85 s ASP 175 CO 0.46 -0.57 0.20 -0.72 0.21 0.00 0.00 175.17 174.75 3m85 s TYR 176 N -1.71 0.06 0.47 4.23 1.13 -1.26 -4.97 117.35 115.30 3m85 s TYR 176 Ca 0.60 -0.29 -0.23 0.00 -1.41 0.00 0.00 57.07 55.73 3m85 s TYR 176 Cb -0.21 -0.03 -0.07 0.00 -1.10 0.00 0.00 41.96 40.55 3m85 s TYR 176 CO 0.27 -0.44 1.27 -0.51 -2.51 0.00 0.00 175.55 173.62 3m85 s LEU 177 N -2.15 4.02 -0.01 -3.49 1.43 -1.26 -0.92 118.68 116.29 3m85 s LEU 177 Ca -0.04 2.55 -0.30 0.00 -1.03 0.00 0.00 54.13 55.31 3m85 s LEU 177 Cb -0.01 -4.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 3m85 s LEU 177 CO -0.04 -1.11 1.37 -0.22 0.23 0.00 0.00 176.35 176.57 3m85 s LEU 178 N -3.02 4.31 -0.25 1.79 2.96 -0.02 -4.83 118.68 119.62 3m85 s LEU 178 Ca 0.64 2.07 -0.29 0.00 -0.22 0.00 0.00 54.13 56.33 3m85 s LEU 178 Cb -0.35 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.75 3m85 s LEU 178 CO 0.43 -0.70 1.79 -2.84 -1.32 0.00 0.00 176.35 173.71 3m85 s PRO 179 N 2.35 3.55 -0.28 0.98 0.02 -1.26 -4.89 135.00 135.47 3m85 s PRO 179 Ca 0.63 1.67 -0.02 0.00 0.02 0.00 0.00 61.00 63.30 3m85 s PRO 179 Cb -0.30 -4.15 0.04 0.00 0.02 0.00 0.00 34.50 30.10 3m85 s PRO 179 CO 0.26 -1.60 -0.03 0.08 -0.33 0.00 0.00 177.00 175.38 3m85 s VAL 180 N 6.22 2.95 -1.88 3.83 1.01 -1.26 -3.78 120.40 127.50 3m85 s VAL 180 Ca 0.80 -1.22 0.23 0.00 0.00 0.00 0.00 61.98 61.79 3m85 s VAL 180 Cb -0.26 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3m85 s VAL 180 CO 0.33 0.03 1.14 -2.11 0.00 0.00 0.00 175.10 174.48 3m85 n ARG 181 N 4.64 1.01 -3.97 2.72 1.85 0.02 -5.01 116.66 117.93 3m85 n ARG 181 Ca -0.15 -0.81 -0.16 0.00 -1.00 0.00 0.00 57.85 55.73 3m85 n ARG 181 Cb 0.45 -1.48 -0.05 0.00 -1.05 0.00 0.00 32.46 30.33 3m85 n ARG 181 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 3m85 n ASP 182 N -0.28 -0.98 -3.07 2.89 4.64 -1.23 -4.97 116.55 113.54 3m85 n ASP 182 Ca 0.09 -2.92 -0.20 0.00 -1.38 0.00 0.00 54.79 50.38 3m85 n ASP 182 Cb 0.44 1.99 -0.04 0.00 -1.04 0.00 0.00 41.12 42.47 3m85 n ASP 182 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 3m85 n LEU 183 N 0.00 -0.60 -4.68 -2.67 0.00 -1.26 -4.93 117.00 102.86 3m85 n LEU 183 Ca 0.04 -4.35 -0.44 0.00 0.00 0.00 0.00 56.01 51.26 3m85 n LEU 183 Cb 0.56 0.70 -0.02 0.00 0.00 0.00 0.00 43.42 44.66 3m85 n LEU 183 CO 0.28 2.06 1.01 -2.65 0.00 0.00 0.00 177.39 178.09 3m85 n PRO 184 N 1.40 2.07 -4.03 1.96 -0.02 -1.26 -4.49 135.00 130.62 3m85 n PRO 184 Ca 0.18 0.73 -0.08 0.00 -2.02 0.00 0.00 63.50 62.31 3m85 n PRO 184 Cb 0.56 -2.39 -0.11 0.00 -0.02 0.00 0.00 33.50 31.55 3m85 n PRO 184 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3m85 s VAL 185 N -0.18 0.18 -0.01 -1.45 1.01 -1.03 -4.85 120.40 114.07 3m85 s VAL 185 Ca 0.66 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 3m85 s VAL 185 Cb -0.63 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 3m85 s VAL 185 CO 0.51 -0.72 0.03 -0.94 0.00 0.00 0.00 175.10 173.98 3m85 s SER 186 N -2.11 0.02 -0.18 3.32 1.04 -1.26 -1.74 113.70 112.79 3m85 s SER 186 Ca -0.06 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.33 3m85 s SER 186 Cb -0.02 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.20 3m85 s SER 186 CO -0.05 -0.08 -0.18 -0.69 0.98 0.00 0.00 173.24 173.22 3m85 s VAL 187 N -0.32 1.95 -0.19 5.02 1.01 0.10 -4.75 120.40 123.22 3m85 s VAL 187 Ca -0.04 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 3m85 s VAL 187 Cb -0.02 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3m85 s VAL 187 CO -0.00 0.48 0.06 -0.89 0.00 0.00 0.00 175.10 174.75 3m85 s THR 188 N 1.32 4.72 0.04 3.92 2.01 -1.26 -0.83 115.64 125.57 3m85 s THR 188 Ca 0.04 -0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.07 3m85 s THR 188 Cb -0.13 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 3m85 s THR 188 CO -0.12 0.44 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.59 3m85 s SER 189 N 0.56 3.46 -0.46 3.53 0.01 0.35 -1.16 113.70 120.00 3m85 s SER 189 Ca 0.03 -0.52 -0.23 0.00 1.31 0.00 0.00 55.95 56.54 3m85 s SER 189 Cb -0.13 -0.44 0.03 0.00 0.21 0.00 0.00 66.02 65.69 3m85 s SER 189 CO 0.01 0.26 0.80 -0.22 0.41 0.00 0.00 173.24 174.50 3m85 s LEU 190 N -1.34 4.24 -0.13 2.44 1.98 0.18 -1.09 118.68 124.95 3m85 s LEU 190 Ca 0.13 -0.12 -0.28 0.00 -2.89 0.00 0.00 54.13 50.97 3m85 s LEU 190 Cb -0.10 -2.97 -0.01 0.00 0.66 0.00 0.00 46.19 43.77 3m85 s LEU 190 CO 0.04 -0.95 0.95 -0.63 -1.89 0.00 0.00 176.35 173.87 3m85 s ILE 191 N 3.36 4.81 -0.23 6.68 1.01 -0.54 -0.66 121.20 135.64 3m85 s ILE 191 Ca 0.30 1.91 -0.00 0.00 0.00 0.00 0.00 60.65 62.86 3m85 s ILE 191 Cb -0.12 -4.26 0.06 0.00 0.01 0.00 0.00 42.46 38.16 3m85 s ILE 191 CO 0.23 0.00 -0.02 -0.69 0.00 0.00 0.00 174.94 174.46 3m85 s VAL 192 N 2.11 1.20 0.00 2.92 1.01 -0.34 -4.72 120.40 122.58 3m85 s VAL 192 Ca 0.45 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3m85 s VAL 192 Cb -0.17 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.64 3m85 s VAL 192 CO 0.15 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.70 3m85 n GLY 193 N 4.79 3.12 1.20 4.51 0.00 -1.26 -1.84 105.19 115.71 3m85 n GLY 193 Ca -0.10 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.80 3m85 n GLY 193 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3m85 n ASN 194 N 7.52 4.13 -4.27 1.61 6.94 -1.26 -4.82 115.26 125.11 3m85 n ASN 194 Ca 0.00 -3.11 -0.22 0.00 -0.02 0.00 0.00 54.58 51.23 3m85 n ASN 194 Cb 0.00 -0.60 -0.12 0.00 -2.36 0.00 0.00 39.78 36.70 3m85 n ASN 194 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3m85 s LYS 195 N -2.89 1.07 0.19 -3.83 1.02 -0.76 -4.96 119.74 109.58 3m85 s LYS 195 Ca 0.46 -1.17 0.10 0.00 0.02 0.00 0.00 55.97 55.38 3m85 s LYS 195 Cb 0.37 -1.21 -0.04 0.00 -0.52 0.00 0.00 37.83 36.43 3m85 s LYS 195 CO 0.09 0.27 -0.15 1.52 -0.92 0.00 0.00 175.35 176.16 3m85 s TYR 196 N -1.43 2.49 -0.17 3.18 -0.85 -1.26 -1.20 117.35 118.10 3m85 s TYR 196 Ca 0.06 -0.28 -0.00 0.00 -0.52 0.00 0.00 57.07 56.33 3m85 s TYR 196 Cb -0.09 -1.21 0.04 0.00 0.38 0.00 0.00 41.96 41.08 3m85 s TYR 196 CO 0.04 0.52 -0.06 -0.51 -1.52 0.00 0.00 175.55 174.02 3m85 s LEU 197 N -2.82 1.71 0.22 -3.49 1.02 0.17 -4.89 118.68 110.60 3m85 s LEU 197 Ca 0.24 -0.69 -0.30 0.00 0.02 0.00 0.00 54.13 53.40 3m85 s LEU 197 Cb -0.08 -0.96 -0.08 0.00 0.02 0.00 0.00 46.19 45.08 3m85 s LEU 197 CO 0.13 -0.18 1.11 -0.69 0.02 0.00 0.00 176.35 176.74 3m85 s VAL 198 N 1.60 3.68 -0.77 -1.59 1.01 -0.88 0.48 120.40 123.92 3m85 s VAL 198 Ca 0.01 1.54 -0.00 0.00 0.00 0.00 0.00 61.98 63.52 3m85 s VAL 198 Cb -0.15 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 3m85 s VAL 198 CO -0.08 0.31 0.68 -0.67 0.00 0.00 0.00 175.10 175.34 3m85 n ASP 199 N 1.88 -7.00 -4.75 3.32 4.64 -0.31 -4.70 116.55 109.62 3m85 n ASP 199 Ca 0.01 -0.32 -0.41 0.00 -1.38 0.00 0.00 54.79 52.69 3m85 n ASP 199 Cb 0.45 -4.35 -0.03 0.00 -1.04 0.00 0.00 41.12 36.15 3m85 n ASP 199 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 3m85 s PRO 200 N -3.56 4.42 0.87 -0.67 0.02 -1.26 -4.74 135.00 130.07 3m85 s PRO 200 Ca 0.01 2.08 -0.14 0.00 0.02 0.00 0.00 61.00 62.98 3m85 s PRO 200 Cb -0.00 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.41 3m85 s PRO 200 CO 0.79 -0.15 0.60 0.43 -0.33 0.00 0.00 177.00 178.34 3m85 n SER 201 N 1.60 -1.26 -0.14 2.53 7.64 -1.26 -3.95 113.62 118.78 3m85 n SER 201 Ca 0.02 0.44 0.01 0.00 1.01 0.00 0.00 58.87 60.36 3m85 n SER 201 Cb 0.43 -1.27 0.30 0.00 -1.01 0.00 0.00 64.21 62.66 3m85 n SER 201 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3m85 h ARG 202 N -1.17 0.82 -0.03 1.43 2.43 -0.49 0.11 114.38 117.49 3m85 h ARG 202 Ca -0.44 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3m85 h ARG 202 Cb 1.30 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3m85 h ARG 202 CO 0.38 0.56 0.01 0.93 -1.51 0.00 0.00 179.97 180.35 3m85 h GLU 203 N 0.84 0.04 -0.59 0.20 5.08 -1.91 -2.13 114.58 116.12 3m85 h GLU 203 Ca 0.22 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 3m85 h GLU 203 Cb -0.06 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3m85 h GLU 203 CO -0.05 0.22 0.39 0.93 -1.00 0.00 0.00 179.01 179.50 3m85 h GLU 204 N -0.14 0.63 0.00 2.33 5.08 -1.87 0.22 114.58 120.83 3m85 h GLU 204 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3m85 h GLU 204 Cb 0.19 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3m85 h GLU 204 CO -0.00 0.42 0.02 -0.12 -1.00 0.00 0.00 179.01 178.32 3m85 n MET 205 N -4.47 0.07 0.28 2.33 1.56 0.01 -1.52 117.12 115.38 3m85 n MET 205 Ca 0.07 0.56 0.14 0.00 -0.27 0.00 0.00 57.70 58.20 3m85 n MET 205 Cb 0.17 -1.74 0.83 0.00 2.15 0.00 0.00 33.22 34.62 3m85 n MET 205 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3m85 h SER 206 N 0.00 0.00 -0.37 6.12 4.64 -0.39 -2.48 113.55 121.07 3m85 h SER 206 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3m85 h SER 206 Cb 0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 3m85 h SER 206 CO 0.00 0.06 0.19 0.58 -0.87 0.00 0.00 176.83 176.79 3m85 h VAL 207 N 0.00 1.15 0.00 0.95 2.07 -1.47 -3.44 116.25 115.51 3m85 h VAL 207 Ca -0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3m85 h VAL 207 Cb 0.16 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3m85 h VAL 207 CO 0.01 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.38 3m85 n GLY 208 N -1.24 3.19 2.47 2.17 0.00 -0.93 -4.99 105.19 105.86 3m85 n GLY 208 Ca 0.03 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 3m85 n GLY 208 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m85 n ASP 209 N 0.00 7.76 -4.05 1.61 2.03 -1.26 -4.86 116.55 117.77 3m85 n ASP 209 Ca 0.00 -3.14 -0.33 0.00 0.52 0.00 0.00 54.79 51.84 3m85 n ASP 209 Cb 0.00 -1.34 -0.14 0.00 -0.72 0.00 0.00 41.12 38.92 3m85 n ASP 209 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3m85 s THR 210 N -1.30 2.59 0.23 5.18 -4.23 -1.26 -3.79 115.64 113.05 3m85 s THR 210 Ca 0.55 -2.23 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 3m85 s THR 210 Cb 0.22 -2.85 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 3m85 s THR 210 CO -0.12 -0.61 -0.01 0.42 -0.54 0.00 0.00 174.62 173.76 3m85 s THR 211 N 0.98 1.06 -0.01 3.99 -4.23 -0.07 -1.46 115.64 115.89 3m85 s THR 211 Ca 0.10 -2.04 0.06 0.00 -1.18 0.00 0.00 61.69 58.63 3m85 s THR 211 Cb -0.20 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.31 3m85 s THR 211 CO -0.07 -0.35 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.25 3m85 s LEU 212 N -3.30 2.04 -0.08 4.79 1.98 -0.25 -1.18 118.68 122.68 3m85 s LEU 212 Ca 0.28 -0.35 0.00 0.00 -2.89 0.00 0.00 54.13 51.17 3m85 s LEU 212 Cb 0.05 -0.97 0.02 0.00 0.66 0.00 0.00 46.19 45.96 3m85 s LEU 212 CO 0.08 0.23 -0.05 -0.89 -1.89 0.00 0.00 176.35 173.83 3m85 s THR 213 N -0.46 0.74 -0.05 3.68 2.01 0.10 -0.49 115.64 121.17 3m85 s THR 213 Ca 0.07 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 61.96 3m85 s THR 213 Cb -0.07 -0.79 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 3m85 s THR 213 CO -0.01 0.30 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.39 3m85 s ILE 214 N 1.44 1.70 -0.08 1.82 1.01 -0.01 -0.23 121.20 126.84 3m85 s ILE 214 Ca -0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 3m85 s ILE 214 Cb -0.13 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 40.92 3m85 s ILE 214 CO -0.04 0.48 -0.03 -0.89 0.00 0.00 0.00 174.94 174.46 3m85 s THR 215 N -0.06 0.65 0.23 2.92 2.01 0.56 0.03 115.64 121.98 3m85 s THR 215 Ca -0.03 -0.06 0.12 0.00 0.31 0.00 0.00 61.69 62.02 3m85 s THR 215 Cb -0.12 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 3m85 s THR 215 CO 0.03 0.30 -0.22 0.42 -0.69 0.00 0.00 174.62 174.46 3m85 s THR 216 N 1.75 2.38 0.53 -0.82 -4.23 -0.71 0.19 115.64 114.73 3m85 s THR 216 Ca 0.03 -2.18 -0.04 0.00 -1.18 0.00 0.00 61.69 58.32 3m85 s THR 216 Cb -0.13 -2.19 0.11 0.00 1.34 0.00 0.00 72.50 71.64 3m85 s THR 216 CO -0.06 -0.24 0.73 -0.90 -0.54 0.00 0.00 174.62 173.61 3m85 n ASP 217 N -0.09 0.61 -0.32 3.99 5.75 -0.53 -2.48 116.55 123.48 3m85 n ASP 217 Ca -0.09 -1.60 -0.05 0.00 -0.01 0.00 0.00 54.79 53.03 3m85 n ASP 217 Cb 0.58 -0.51 -0.01 0.00 -1.03 0.00 0.00 41.12 40.15 3m85 n ASP 217 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3m85 h LYS 218 N 0.00 -0.08 -0.44 0.11 1.57 -1.91 -1.73 116.57 114.09 3m85 h LYS 218 Ca -0.24 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3m85 h LYS 218 Cb 0.79 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3m85 h LYS 218 CO 0.22 -0.06 0.00 -0.25 -0.57 0.00 0.00 179.45 178.80 3m85 n ASP 219 N -5.41 1.10 -0.01 0.86 8.00 -1.26 -4.86 116.55 114.96 3m85 n ASP 219 Ca 0.06 -2.06 -0.00 0.00 0.71 0.00 0.00 54.79 53.50 3m85 n ASP 219 Cb 0.36 -0.26 -0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3m85 n ASP 219 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3m85 n ASP 220 N -0.05 -3.76 -4.73 -2.24 9.92 -0.65 -5.00 116.55 110.05 3m85 n ASP 220 Ca 0.04 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.89 3m85 n ASP 220 Cb 0.22 -1.27 -0.03 0.00 -0.64 0.00 0.00 41.12 39.40 3m85 n ASP 220 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3m85 s ASN 221 N -2.02 6.86 0.04 -2.24 0.02 -1.26 -4.78 114.94 111.55 3m85 s ASN 221 Ca 0.00 2.41 -0.30 0.00 -1.02 0.00 0.00 52.86 53.94 3m85 s ASN 221 Cb 0.00 -2.61 -0.05 0.00 0.02 0.00 0.00 41.25 38.61 3m85 s ASN 221 CO 0.00 -0.56 1.23 -0.69 0.02 0.00 0.00 177.10 177.09 3m85 s VAL 222 N 0.29 4.01 0.00 1.60 1.01 -1.26 -1.46 120.40 124.60 3m85 s VAL 222 Ca 0.58 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.99 3m85 s VAL 222 Cb -0.37 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3m85 s VAL 222 CO 0.37 0.08 0.00 0.55 0.00 0.00 0.00 175.10 176.10 3m85 n VAL 223 N 4.11 0.00 -3.64 2.92 3.14 0.13 -4.94 118.33 120.06 3m85 n VAL 223 Ca 0.10 -0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.38 3m85 n VAL 223 Cb 0.46 0.50 -0.07 0.00 -1.06 0.00 0.00 33.84 33.67 3m85 n VAL 223 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3m85 s ALA 224 N -1.99 -1.89 0.09 1.55 0.00 -0.91 -4.82 121.76 113.79 3m85 s ALA 224 Ca 0.00 2.24 0.01 0.00 0.00 0.00 0.00 51.96 54.22 3m85 s ALA 224 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 3m85 s ALA 224 CO 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 175.76 175.34 3m85 s MET 225 N 1.11 0.78 -0.19 0.00 0.23 -1.26 -0.32 119.30 119.64 3m85 s MET 225 Ca -0.06 -1.28 -0.06 0.00 -1.03 0.00 0.00 55.69 53.26 3m85 s MET 225 Cb -0.05 -0.14 0.09 0.00 -1.53 0.00 0.00 34.83 33.20 3m85 s MET 225 CO -0.12 -0.03 0.39 -1.14 -2.03 0.00 0.00 175.02 172.09 3m85 s GLN 226 N -3.70 0.29 0.09 3.16 2.00 0.68 -4.98 119.66 117.20 3m85 s GLN 226 Ca 0.10 0.93 -0.18 0.00 -2.00 0.00 0.00 55.36 54.20 3m85 s GLN 226 Cb 0.05 0.18 -0.07 0.00 0.80 0.00 0.00 33.01 33.97 3m85 s GLN 226 CO -0.05 -0.30 0.56 0.21 -0.50 0.00 0.00 175.29 175.21 3m85 s LYS 227 N 2.57 4.15 0.01 1.67 2.20 -1.26 0.01 119.74 129.09 3m85 s LYS 227 Ca 0.00 0.68 -0.16 0.00 -0.36 0.00 0.00 55.97 56.14 3m85 s LYS 227 Cb -0.12 -3.17 0.03 0.00 -1.51 0.00 0.00 37.83 33.06 3m85 s LYS 227 CO -0.12 0.60 0.34 0.45 -0.36 0.00 0.00 175.35 176.27 3m85 s SER 228 N -1.24 -0.21 0.00 1.43 0.15 -0.33 -5.00 113.70 108.50 3m85 s SER 228 Ca 0.31 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.97 3m85 s SER 228 Cb -0.18 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 3m85 s SER 228 CO 0.19 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.69 3m85 n GLY 229 N 0.88 0.60 3.33 9.45 0.00 -1.25 -0.89 105.19 117.30 3m85 n GLY 229 Ca -0.20 -1.78 -0.46 0.00 0.00 0.00 0.00 46.02 43.58 3m85 n GLY 229 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3m85 s GLY 230 N -1.35 2.89 0.19 -0.02 0.00 -1.26 -4.92 107.32 102.85 3m85 s GLY 230 Ca 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 44.72 41.16 3m85 s GLY 230 CO 0.00 1.29 0.17 -2.52 0.00 0.00 0.00 173.10 172.03 3m85 s TYR 231 N -0.41 0.96 -0.18 1.90 -0.00 -1.26 -5.05 117.35 113.32 3m85 s TYR 231 Ca 0.23 -1.24 -0.07 0.00 -0.00 0.00 0.00 57.07 55.99 3m85 s TYR 231 Cb -0.10 -0.42 -0.04 0.00 -0.00 0.00 0.00 41.96 41.39 3m85 s TYR 231 CO -0.09 -0.67 0.07 -0.51 -0.00 0.00 0.00 175.55 174.35 3m85 s LEU 232 N -3.11 3.85 -0.30 -3.49 1.43 -1.26 -5.08 118.68 110.72 3m85 s LEU 232 Ca 0.33 0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 3m85 s LEU 232 Cb 0.06 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 3m85 s LEU 232 CO 0.09 0.19 0.43 -0.22 0.23 0.00 0.00 176.35 177.08 3m85 s LEU 233 N 0.26 4.16 -0.00 1.79 0.20 -1.26 -5.00 118.68 118.83 3m85 s LEU 233 Ca 0.04 0.19 -0.30 0.00 0.69 0.00 0.00 54.13 54.75 3m85 s LEU 233 Cb -0.12 -2.50 -0.07 0.00 -0.43 0.00 0.00 46.19 43.08 3m85 s LEU 233 CO 0.00 -0.29 1.65 -0.62 -0.29 0.00 0.00 176.35 176.80 3m85 s ASP 234 N 1.66 6.65 0.44 3.68 -1.08 -1.26 -4.87 116.67 121.89 3m85 s ASP 234 Ca 0.17 2.34 0.11 0.00 -0.52 0.00 0.00 52.55 54.65 3m85 s ASP 234 Cb -0.16 -2.55 1.00 0.00 -1.46 0.00 0.00 42.92 39.75 3m85 s ASP 234 CO 0.11 -0.90 2.04 -0.08 0.52 0.00 0.00 175.17 176.86 3m85 h GLU 235 N 9.07 0.40 0.10 4.34 4.81 -1.99 0.14 114.58 131.44 3m85 h GLU 235 Ca -0.41 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.81 3m85 h GLU 235 Cb 1.19 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 3m85 h GLU 235 CO 0.94 0.26 -0.47 -0.22 -0.73 0.00 0.00 179.01 178.79 3m85 h LYS 236 N 0.41 -0.64 -0.19 1.92 3.11 -2.01 -2.33 116.57 116.84 3m85 h LYS 236 Ca 0.18 0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 58.00 3m85 h LYS 236 Cb 0.20 0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 3m85 h LYS 236 CO -0.04 -0.42 -0.15 1.25 -2.81 0.00 0.00 179.45 177.27 3m85 h LEU 237 N -0.66 0.31 -1.25 5.20 6.46 -1.45 -1.29 115.31 122.63 3m85 h LEU 237 Ca -0.00 -0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.73 3m85 h LEU 237 Cb 0.67 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.47 3m85 h LEU 237 CO -0.26 0.49 0.53 0.15 -0.62 0.00 0.00 178.44 178.72 3m85 h PHE 238 N 0.30 0.94 -0.59 1.25 3.57 -0.60 -2.10 116.94 119.71 3m85 h PHE 238 Ca 0.06 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 3m85 h PHE 238 Cb 0.45 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3m85 h PHE 238 CO 0.01 0.53 0.17 -0.44 -2.23 0.00 0.00 178.31 176.35 3m85 h ASP 239 N 0.96 0.87 0.34 0.41 3.32 -0.67 -0.75 116.42 120.89 3m85 h ASP 239 Ca 0.33 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3m85 h ASP 239 Cb 0.10 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3m85 h ASP 239 CO -0.10 0.86 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.78 3m85 h GLU 240 N 0.84 -0.44 -0.67 3.56 5.08 -1.49 -3.13 114.58 118.33 3m85 h GLU 240 Ca 0.19 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.69 3m85 h GLU 240 Cb 0.31 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 3m85 h GLU 240 CO -0.00 -0.21 0.45 1.25 -1.00 0.00 0.00 179.01 179.49 3m85 h LEU 241 N -0.58 0.40 0.32 1.33 5.85 -1.00 0.51 115.31 122.14 3m85 h LEU 241 Ca -0.05 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3m85 h LEU 241 Cb 0.43 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3m85 h LEU 241 CO 0.08 0.23 -0.25 0.25 -0.34 0.00 0.00 178.44 178.41 3m85 h LEU 242 N 0.44 -0.64 -0.49 2.25 6.46 -1.14 0.18 115.31 122.37 3m85 h LEU 242 Ca 0.32 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 58.12 3m85 h LEU 242 Cb 0.63 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 3m85 h LEU 242 CO -0.10 -0.38 0.27 0.44 -0.62 0.00 0.00 178.44 178.06 3m85 h ASP 243 N -0.57 0.61 -0.59 1.25 3.32 -0.14 -1.20 116.42 119.09 3m85 h ASP 243 Ca -0.02 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 3m85 h ASP 243 Cb 0.50 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3m85 h ASP 243 CO -0.01 0.52 0.15 0.58 -1.72 0.00 0.00 179.24 178.75 3m85 h VAL 244 N 0.65 1.25 -0.11 -1.35 2.07 -0.24 -2.69 116.25 115.82 3m85 h VAL 244 Ca 0.17 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 3m85 h VAL 244 Cb 0.04 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3m85 h VAL 244 CO -0.03 0.34 -0.17 0.28 0.02 0.00 0.00 177.57 178.02 3m85 h SER 245 N 0.94 0.34 -0.56 0.57 0.02 -0.09 0.10 113.55 114.86 3m85 h SER 245 Ca 0.20 -0.53 0.08 0.00 -0.84 0.00 0.00 61.79 60.70 3m85 h SER 245 Cb 0.34 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3m85 h SER 245 CO 0.00 0.80 0.38 0.40 -1.14 0.00 0.00 176.83 177.27 3m85 h ILE 246 N -0.11 0.94 0.55 3.27 2.04 -1.22 -0.16 117.51 122.81 3m85 h ILE 246 Ca 0.01 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3m85 h ILE 246 Cb 0.73 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3m85 h ILE 246 CO 0.04 0.08 -0.26 -1.13 0.00 0.00 0.00 178.15 176.88 3m85 h ASN 247 N 0.44 -0.62 -0.98 1.72 -1.24 -1.12 -2.96 115.58 110.82 3m85 h ASN 247 Ca 0.25 0.02 0.32 0.00 0.71 0.00 0.00 56.30 57.61 3m85 h ASN 247 Cb 0.42 0.16 -0.15 0.00 0.73 0.00 0.00 38.32 39.48 3m85 h ASN 247 CO -0.07 -0.34 0.48 0.00 -1.29 0.00 0.00 177.43 176.21 3m85 h ALA 249 N 1.87 1.42 0.36 0.00 0.00 -1.08 -1.57 119.26 120.26 3m85 h ALA 249 Ca 0.72 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.51 3m85 h ALA 249 Cb 1.65 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3m85 h ALA 249 CO -0.66 0.48 -0.17 -0.09 0.00 0.00 0.00 179.25 178.81 3m85 h ARG 250 N 0.87 -0.47 -0.92 0.00 2.43 -0.05 0.08 114.38 116.33 3m85 h ARG 250 Ca 0.22 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.58 3m85 h ARG 250 Cb 0.03 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 29.59 3m85 h ARG 250 CO -0.04 -0.15 0.53 0.87 -1.51 0.00 0.00 179.97 179.67 3m85 h LYS 251 N -0.84 0.72 -0.46 0.20 6.56 -1.36 0.82 116.57 122.21 3m85 h LYS 251 Ca -0.05 -0.04 -0.09 0.00 -1.06 0.00 0.00 60.65 59.41 3m85 h LYS 251 Cb 0.53 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 32.01 3m85 h LYS 251 CO 0.08 0.48 -0.07 -0.07 -2.06 0.00 0.00 179.45 177.81 3m85 h LEU 252 N 0.74 0.78 -1.12 2.94 3.38 -1.13 -2.92 115.31 117.98 3m85 h LEU 252 Ca 0.50 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 3m85 h LEU 252 Cb 0.68 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3m85 h LEU 252 CO -0.35 0.89 -0.13 -0.09 0.09 0.00 0.00 178.44 178.85 3m85 h ARG 253 N 0.73 0.46 -1.06 1.13 2.43 0.12 -1.66 114.38 116.53 3m85 h ARG 253 Ca 0.13 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3m85 h ARG 253 Cb 0.54 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3m85 h ARG 253 CO 0.03 0.59 0.00 -0.85 -1.51 0.00 0.00 179.97 178.23 3m85 n GLU 254 N -4.21 0.89 -0.09 0.20 0.28 -0.92 -2.28 120.64 114.51 3m85 n GLU 254 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.86 3m85 n GLU 254 Cb 0.32 -1.14 -0.14 0.00 1.43 0.00 0.00 31.44 31.91 3m85 n GLU 254 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3m85 n LYS 255 N 0.45 0.68 0.00 3.44 4.76 -0.62 -4.34 118.16 122.52 3m85 n LYS 255 Ca 0.00 0.11 0.04 0.00 -2.87 0.00 0.00 58.31 55.58 3m85 n LYS 255 Cb 0.40 -1.56 0.22 0.00 -1.84 0.00 0.00 35.03 32.24 3m85 n LYS 255 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3m85 n PHE 256 N -3.04 0.00 0.90 2.13 3.72 -0.96 -2.47 117.46 117.74 3m85 n PHE 256 Ca -0.36 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 3m85 n PHE 256 Cb 1.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 3m85 n PHE 256 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3m85 n LYS 257 N -0.80 0.90 0.00 -1.08 4.01 -1.26 -5.19 118.16 114.75 3m85 n LYS 257 Ca 0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 3m85 n LYS 257 Cb 0.03 -1.05 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 3m85 n LYS 257 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68